| 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 | 47.4 | Very low | 78.4 | Confident | 137 Ų | 137 | 92.9 Ų | 92.9 | 68% | 0.675 | 50% | 0.503 | S | S | * | . | 0 | 2.7 | 0 | -96.2 | -170.6 | 178.8 | 0 | 0 | 114.3 | S3 W6 L26 | M1-S3 PolarHBondContact O-N 3.17Å; M1-W6 HydrophobicContact CE-CZ2 3.81Å; M1-W6 HydrophobicContact CG-CZ2 4.45Å; M1-W6 HydrophobicContact SD-CZ2 4.43Å; M1-L26 HydrophobicContact CE-CD2 4.12Å | |||
| 2 | S | 51.9 | Low | 79.8 | Confident | 130 Ų | 130 | 87.5 Ų | 87.5 | 91% | 0.909 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5.1 | -173.4 | 45.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 3 | S | 68.7 | Low | 81.1 | Confident | 83 Ų | 83 | 84.8 Ų | 84.8 | 58% | 0.58 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -15.5 | -173.6 | 61.1 | 0 | 0 | 0 | 0 | 115.3 | M1 | M1-S3 PolarHBondContact O-N 3.17Š|
| 4 | I | 75.6 | Confident | 82.3 | Confident | 94 Ų | 94 | 79.1 Ų | 79.1 | 48% | 0.482 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -123 | 125.7 | -176.6 | -56.6 | 174.4 | 0 | 0 | 0 | 108.7 | W6 I9 | I4-W6 PolarHBondContact O-N 3.12Å; I4-I9 HydrophobicContact CG2-CD1 3.95Å; I4-I9 HydrophobicContact CG2-CG1 4.26Å |
| 5 | F | 82.1 | Confident | 83.3 | Confident | 149 Ų | 149 | 74 Ų | 74 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | trans | -78.3 | 112.7 | 172.3 | -61.9 | -77.7 | 0 | 0 | 0 | 108.6 | E7 T8 | F5-E7 PolarHBondContact O-N 3.37Å; F5-T8 HydrophobicContact CB-CG2 3.94Å; F5-T8 PolarHBondContact O-N 3.2Å; F5-T8 PolarHBondContact O-OG1 2.84Å | ||
| 6 | W | 85.1 | Confident | 84 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 21% | 0.212 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -66.2 | -21.3 | -176.5 | -70.3 | 93.4 | 0 | 0 | 0 | 112.7 | M1 I4 T8 I9 L26 T30 | M1-W6 HydrophobicContact CE-CZ2 3.81Å; M1-W6 HydrophobicContact CG-CZ2 4.45Å; M1-W6 HydrophobicContact SD-CZ2 4.43Å; I4-W6 PolarHBondContact O-N 3.12Å; W6-T8 PolarHBondContact O-N 2.99Å; W6-I9 HydrophobicContact CD2-CD1 4.09Å; W6-I9 HydrophobicContact CE3-CD1 3.42Å; W6-I9 VanDerWaalsContact CE3-CD1 3.42Å; W6-I9 HydrophobicContact CZ3-CD1 3.67Å; W6-I9 PolarHBondContact O-N 2.94Å; W6-L26 HydrophobicContact CE3-CD2 4.23Å; W6-L26 HydrophobicContact CH2-CD1 4.36Å; W6-L26 HydrophobicContact CH2-CD2 3.46Å; W6-L26 VanDerWaalsContact CH2-CD2 3.46Å; W6-L26 HydrophobicContact CZ2-CD2 3.93Å; W6-L26 HydrophobicContact CZ3-CD1 4Å; W6-L26 HydrophobicContact CZ3-CD2 3.63Å; W6-L26 HydrophobicContact CZ3-CG 4.37Å; W6-T30 HydrophobicContact CB-CG2 4.44Å; W6-T30 HydrophobicContact CD2-CG2 3.88Å; W6-T30 HydrophobicContact CG-CG2 3.76Å |
| 7 | E | 86.7 | Confident | 84.6 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -66.4 | -21.8 | 173.6 | -59.2 | 79 | -172.4 | 0 | 0 | 112.9 | F5 N31 | F5-E7 PolarHBondContact O-N 3.37Å; E7-N31 HydrophobicContact CG-CB 3.85Å; E7-N31 WeakPolarHBondContact OE1-CB 3.5Å; E7-N31 PolarHBondContact OE1-ND2 3.13Å |
| 8 | T | 87.9 | Confident | 84.9 | Confident | 95 Ų | 95 | 65 Ų | 65 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -94 | 4.6 | -179.3 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | F5 W6 | F5-T8 HydrophobicContact CB-CG2 3.94Å; F5-T8 PolarHBondContact O-N 3.2Å; F5-T8 PolarHBondContact O-OG1 2.84Å; W6-T8 PolarHBondContact O-N 2.99Å |
| 9 | I | 91.1 | Very high | 85.2 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | trans | -94.7 | 113.8 | 180 | -55.6 | -178.5 | 0 | 0 | 0 | 108.8 | I4 W6 I12 F32 | I4-I9 HydrophobicContact CG2-CD1 3.95Å; I4-I9 HydrophobicContact CG2-CG1 4.26Å; W6-I9 HydrophobicContact CD2-CD1 4.09Å; W6-I9 HydrophobicContact CE3-CD1 3.42Å; W6-I9 VanDerWaalsContact CE3-CD1 3.42Å; W6-I9 HydrophobicContact CZ3-CD1 3.67Å; W6-I9 PolarHBondContact O-N 2.94Å; I9-I12 HydrophobicContact CG2-CG1 4.3Å; I9-F32 HydrophobicContact CB-CD2 4.09Å; I9-F32 HydrophobicContact CB-CE2 4.12Å; I9-F32 HydrophobicContact CG2-CD2 4.23Å; I9-F32 HydrophobicContact CG2-CE2 3.83Å; I9-F32 VanDerWaalsContact O-CE2 3.29Å; I9-F32 WeakPolarHBondContact O-CE2 3.43Å | ||
| 10 | D | 91 | Very high | 85.6 | Confident | 101 Ų | 101 | 61.3 Ų | 61.3 | 54% | 0.54 | 33% | 0.332 | S | S | . | . | trans | -84.2 | -31.4 | -178.5 | -58.5 | -56 | 0 | 0 | 0 | 113.3 | G34 K35 F120 | D10-G34 CarbonylContact O-C 3.48Å; D10-G34 WeakPolarHBondContact O-CA 3.35Å; D10-K35 PolarHBondContact O-N 2.98Å; D10-F120 HydrophobicContact CB-CE2 3.84Å; D10-F120 HydrophobicContact CB-CZ 3.97Å | ||
| 11 | V | 94.3 | Very high | 85.9 | Confident | 35 Ų | 35 | 61 Ų | 61 | 21% | 0.212 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.4 | -171.4 | 179.7 | 0 | 0 | 0 | 0 | 112 | L13 K35 F37 L119 F120 | V11-L13 HydrophobicContact CG1-CD2 3.78Å; V11-L13 HydrophobicContact CG1-CG 4.29Å; V11-K35 CarbonylContact C-O 3.56Å; V11-K35 VanDerWaalsContact CA-O 3.27Å; V11-K35 WeakPolarHBondContact CA-O 3.36Å; V11-F37 HydrophobicContact CG1-CD2 3.54Å; V11-F37 HydrophobicContact CG1-CE2 3.65Å; V11-F37 HydrophobicContact CG2-CE2 4.19Å; V11-L119 HydrophobicContact CG1-CD1 4.4Å; V11-L119 HydrophobicContact CG2-CD1 4.17Å; V11-L119 HydrophobicContact CG2-CD2 4.17Å; V11-F120 HydrophobicContact CG2-CE2 4.18Å |
| 12 | I | 96 | Very high | 88 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.3 | 167.9 | -64.2 | 174.7 | 0 | 0 | 0 | 108.9 | I9 V14 L23 L26 F32 K35 V36 F37 | I9-I12 HydrophobicContact CG2-CG1 4.3Å; I12-V14 HydrophobicContact CG2-CG2 4.4Å; I12-L23 HydrophobicContact CD1-CD1 4.45Å; I12-L26 HydrophobicContact CD1-CD1 3.89Å; I12-F32 HydrophobicContact CB-CZ 4.36Å; I12-F32 HydrophobicContact CD1-CD1 4.14Å; I12-F32 HydrophobicContact CD1-CD2 4.01Å; I12-F32 HydrophobicContact CD1-CE1 3.76Å; I12-F32 HydrophobicContact CD1-CE2 3.62Å; I12-F32 HydrophobicContact CD1-CG 4.25Å; I12-F32 HydrophobicContact CD1-CZ 3.47Å; I12-F32 VanDerWaalsContact CD1-CZ 3.47Å; I12-F32 HydrophobicContact CG1-CE1 4.38Å; I12-F32 HydrophobicContact CG1-CE2 3.72Å; I12-F32 HydrophobicContact CG1-CZ 3.63Å; I12-K35 PolarHBondContact N-O 2.91Å; I12-V36 HydrophobicContact CB-CG1 4.28Å; I12-V36 HydrophobicContact CB-CG2 4.28Å; I12-V36 HydrophobicContact CG2-CG1 4.24Å; I12-V36 CarbonylContact O-C 3.53Å; I12-V36 WeakPolarHBondContact O-CA 3.29Å; I12-F37 PolarHBondContact O-N 3.47Å |
| 13 | L | 97 | Very high | 89.9 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 27% | 0.272 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.5 | 176.2 | -57.8 | -178.2 | 0 | 0 | 0 | 110.1 | V11 F37 I125 W139 I141 | V11-L13 HydrophobicContact CG1-CD2 3.78Å; V11-L13 HydrophobicContact CG1-CG 4.29Å; L13-F37 HydrophobicContact CD2-CB 3.96Å; L13-F37 HydrophobicContact CD2-CD2 4.02Å; L13-F37 HydrophobicContact CD2-CG 4.39Å; L13-I125 HydrophobicContact CD1-CG2 4.39Å; L13-I125 HydrophobicContact CD2-CD1 3.54Å; L13-W139 HydrophobicContact CB-CD2 4.09Å; L13-W139 HydrophobicContact CB-CG 4.11Å; L13-W139 HydrophobicContact CB-CZ2 4.39Å; L13-W139 HydrophobicContact CD1-CB 4.06Å; L13-W139 HydrophobicContact CD1-CD2 4.07Å; L13-W139 HydrophobicContact CD1-CE3 4.39Å; L13-W139 HydrophobicContact CD1-CG 3.92Å; L13-W139 HydrophobicContact CD2-CD2 4.4Å; L13-W139 HydrophobicContact CD2-CE3 4.37Å; L13-W139 HydrophobicContact CD2-CZ3 4.45Å; L13-W139 HydrophobicContact CG-CD2 4.42Å; L13-I141 HydrophobicContact CD1-CD1 4.1Å; L13-I141 HydrophobicContact CD1-CG1 4.36Å |
| 14 | V | 97.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | trans | -109.2 | 115.9 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | I12 I20 V36 F37 A38 V42 W139 | I12-V14 HydrophobicContact CG2-CG2 4.4Å; V14-I20 HydrophobicContact CG1-CD1 4.26Å; V14-I20 HydrophobicContact CG1-CG1 3.53Å; V14-V36 HydrophobicContact CG2-CG1 3.83Å; V14-F37 PolarHBondContact N-O 3.37Å; V14-A38 HydrophobicContact CB-CB 3.8Å; V14-A38 HydrophobicContact CG1-CB 4.31Å; V14-A38 HydrophobicContact CG2-CB 4.39Å; V14-V42 HydrophobicContact CG1-CG1 3.85Å; V14-W139 WeakPolarHBondContact O-CZ2 3.35Å; V14-W139 PolarHBondContact O-NE1 3.37Å | ||
| 15 | S | 96.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | trans | -87.6 | -31.8 | -175 | -71.2 | 0 | 0 | 0 | 0 | 115.3 | S136 C137 W139 S152 | S15-S136 CarbonylContact O-C 3.6Å; S15-S136 VanDerWaalsContact O-CA 3.29Å; S15-S136 WeakPolarHBondContact O-CA 3.35Å; S15-C137 WeakPolarHBondContact CA-O 3.33Å; S15-C137 WeakPolarHBondContact CB-O 3.4Å; S15-C137 PolarHBondContact O-N 2.91Å; S15-C137 PolarHBondContact OG-O 3.37Å; S15-W139 PolarHBondContact OG-NE1 3.26Å; S15-S152 VanDerWaalsContact CB-CB 3.41Å | ||
| 16 | N | 94.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -154 | 168.1 | -172 | 65 | 76.6 | 0 | 0 | 0 | 111.3 | R18 S19 V42 S152 H153 | N16-R18 VanDerWaalsContact C-N 3.29Å; N16-R18 PolarHBondContact O-N 3.34Å; N16-R18 WeakPolarHBondContact OD1-CA 3.24Å; N16-R18 WeakPolarHBondContact OD1-CB 3.33Å; N16-R18 PolarHBondContact OD1-N 3.02Å; N16-S19 PolarHBondContact ND2-OG 2.7Å; N16-S19 VanDerWaalsContact ND2-OG 3.09Å; N16-S19 WeakPolarHBondContact O-CB 3.42Å; N16-S19 PolarHBondContact O-N 3.06Å; N16-S19 VanDerWaalsContact O-N 3.08Å; N16-S19 PolarHBondContact OD1-N 3.37Å; N16-S19 VanDerWaalsContact OD1-N 3.13Å; N16-S19 PolarHBondContact OD1-OG 2.91Å; N16-V42 VanDerWaalsContact C-CG1 3.48Å; N16-S152 PolarHBondContact ND2-OG 3.4Å; N16-S152 VanDerWaalsContact ND2-OG 3.16Å; N16-H153 PolarHBondContact ND2-ND1 3.36Å; N16-H153 VanDerWaalsContact ND2-ND1 3.14Å |
| 17 | T | 93.9 | Very high | 92.2 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -55.3 | -38.1 | -177.2 | -48.2 | 0 | 0 | 0 | 0 | 113.6 | I20 F45 G46 L49 | T17-I20 PolarHBondContact O-N 2.81Å; T17-F45 HydrophobicContact CG2-CB 3.54Å; T17-G46 VanDerWaalsContact CG2-N 3.33Å; T17-L49 HydrophobicContact CG2-CD1 3.63Å; T17-L49 HydrophobicContact CG2-CG 4.13Å |
| 18 | R | 90 | Very high | 92.1 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -72.1 | -30.2 | -179.8 | -66.2 | -170.1 | -176.9 | 146.9 | 6.5 | 112.1 | N16 I20 L21 Y132 E526 D529 E590 | N16-R18 VanDerWaalsContact C-N 3.29Å; N16-R18 PolarHBondContact O-N 3.34Å; N16-R18 WeakPolarHBondContact OD1-CA 3.24Å; N16-R18 WeakPolarHBondContact OD1-CB 3.33Å; N16-R18 PolarHBondContact OD1-N 3.02Å; R18-I20 PolarHBondContact O-N 3.18Å; R18-L21 WeakPolarHBondContact O-CG 3.18Å; R18-L21 PolarHBondContact O-N 3.3Å; R18-Y132 VanDerWaalsContact CZ-OH 3.23Å; R18-Y132 PolarHBondContact NH1-OH 3.41Å; R18-Y132 VanDerWaalsContact NH1-OH 3.16Å; R18-Y132 PolarHBondContact NH2-OH 3.41Å; R18-E526 IonicContact NH2-OE1 3.26Å; R18-E526 PolarHBondContact NH2-OE1 3.43Å; R18-E526 VanDerWaalsContact NH2-OE1 3.09Å; R18-D529 WeakPolarHBondContact CD-OD2 3.14Å; R18-D529 IonicContact CZ-OD2 3.76Å; R18-D529 VanDerWaalsContact CZ-OD2 3.24Å; R18-D529 IonicContact NE-OD2 2.95Å; R18-D529 IonicContact NH1-OD2 2.78Å; R18-D529 PolarHBondContact NH1-OD2 3.35Å; R18-E590 IonicContact CZ-OE1 2.76Å; R18-E590 IonicContact NH1-OE1 2.7Å; R18-E590 PolarHBondContact NH1-OE1 2.78Å; R18-E590 IonicContact NH2-OE1 3.94Å |
| 19 | S | 91.8 | Very high | 91.8 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -65.2 | -19.1 | 178.2 | -63 | 0 | 0 | 0 | 0 | 113.9 | N16 | N16-S19 PolarHBondContact ND2-OG 2.7Å; N16-S19 VanDerWaalsContact ND2-OG 3.09Å; N16-S19 WeakPolarHBondContact O-CB 3.42Å; N16-S19 PolarHBondContact O-N 3.06Å; N16-S19 VanDerWaalsContact O-N 3.08Å; N16-S19 PolarHBondContact OD1-N 3.37Å; N16-S19 VanDerWaalsContact OD1-N 3.13Å; N16-S19 PolarHBondContact OD1-OG 2.91Å |
| 20 | I | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -73.2 | -27.3 | 178.5 | -69.6 | 169 | 0 | 0 | 0 | 112.5 | V14 T17 R18 G22 L23 P24 V42 I50 L105 | V14-I20 HydrophobicContact CG1-CD1 4.26Å; V14-I20 HydrophobicContact CG1-CG1 3.53Å; T17-I20 PolarHBondContact O-N 2.81Å; R18-I20 PolarHBondContact O-N 3.18Å; I20-G22 PolarHBondContact O-N 3.08Å; I20-L23 VanDerWaalsContact O-CB 3.28Å; I20-L23 WeakPolarHBondContact O-CB 3.35Å; I20-L23 PolarHBondContact O-N 3.36Å; I20-P24 WeakPolarHBondContact O-CD 3.48Å; I20-V42 HydrophobicContact CD1-CB 4.46Å; I20-V42 HydrophobicContact CD1-CG1 3.45Å; I20-V42 VanDerWaalsContact CD1-CG1 3.45Å; I20-V42 WeakPolarHBondContact CD1-O 3.46Å; I20-V42 HydrophobicContact CG1-CG1 4.13Å; I20-I50 HydrophobicContact CG2-CD1 3.76Å; I20-L105 HydrophobicContact CG2-CD2 3.94Å |
| 21 | L | 91.7 | Very high | 91.2 | Very high | 56 Ų | 56 | 36 Ų | 36 | 29% | 0.293 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -57.7 | -28.2 | -174.1 | -62.1 | 178.4 | 0 | 0 | 0 | 113.2 | R18 L49 I50 Y96 | R18-L21 WeakPolarHBondContact O-CG 3.18Å; R18-L21 PolarHBondContact O-N 3.3Å; L21-L49 HydrophobicContact CD2-CB 3.93Å; L21-I50 HydrophobicContact CD2-CG1 3.7Å; L21-Y96 WeakPolarHBondContact O-CE1 3.2Å |
| 22 | G | 90.1 | Very high | 91 | Very high | 37 Ų | 37 | 35 Ų | 35 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -83.3 | -17.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I20 F25 | I20-G22 PolarHBondContact O-N 3.08Å; G22-F25 WeakPolarHBondContact O-CB 3.24Å; G22-F25 PolarHBondContact O-N 3.14Å |
| 23 | L | 93.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | -168.9 | -172.2 | 66.5 | 0 | 0 | 0 | 113.4 | I12 I20 F25 L26 F27 V36 A104 I108 | I12-L23 HydrophobicContact CD1-CD1 4.45Å; I20-L23 VanDerWaalsContact O-CB 3.28Å; I20-L23 WeakPolarHBondContact O-CB 3.35Å; I20-L23 PolarHBondContact O-N 3.36Å; L23-F25 VanDerWaalsContact C-N 3.26Å; L23-F25 PolarHBondContact O-N 3.46Å; L23-L26 HydrophobicContact CD1-CD1 4.32Å; L23-L26 WeakPolarHBondContact O-CB 3.24Å; L23-L26 PolarHBondContact O-N 3.02Å; L23-F27 HydrophobicContact CD1-CD2 4.33Å; L23-F27 HydrophobicContact CD1-CE2 3.89Å; L23-F27 HydrophobicContact CD2-CE2 4.5Å; L23-F27 HydrophobicContact CG-CD2 4.23Å; L23-F27 HydrophobicContact CG-CE2 4Å; L23-F27 PolarHBondContact O-N 3.21Å; L23-V36 HydrophobicContact CD1-CG1 4.21Å; L23-V36 HydrophobicContact CD1-CG2 4.24Å; L23-V36 HydrophobicContact CD2-CG1 4.06Å; L23-A104 HydrophobicContact CG-CB 4.49Å; L23-I108 HydrophobicContact CD2-CD1 3.61Å; L23-I108 HydrophobicContact CD2-CG1 3.97Å |
| 24 | P | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -31.8 | 179.3 | -21.5 | 33.4 | 0 | 0 | 0 | 113.2 | I20 L26 F27 E28 I50 Y96 V101 A104 | I20-P24 WeakPolarHBondContact O-CD 3.48Å; P24-L26 PolarHBondContact O-N 3.34Å; P24-F27 PolarHBondContact O-N 3.33Å; P24-E28 PolarHBondContact O-N 3.02Å; P24-I50 HydrophobicContact CG-CD1 4.02Å; P24-Y96 HydrophobicContact CB-CD1 3.64Å; P24-Y96 HydrophobicContact CB-CD2 3.79Å; P24-Y96 HydrophobicContact CB-CE1 3.98Å; P24-Y96 HydrophobicContact CB-CE2 4.15Å; P24-Y96 HydrophobicContact CB-CG 3.54Å; P24-Y96 HydrophobicContact CG-CD1 4.19Å; P24-Y96 HydrophobicContact CG-CD2 4.21Å; P24-Y96 HydrophobicContact CG-CE1 4Å; P24-Y96 HydrophobicContact CG-CE2 4.05Å; P24-Y96 HydrophobicContact CG-CG 4.3Å; P24-V101 HydrophobicContact CB-CG2 4.24Å; P24-V101 HydrophobicContact CG-CG2 4.04Å; P24-A104 HydrophobicContact CB-CB 4.25Å; P24-A104 HydrophobicContact CG-CB 4.27Å |
| 25 | F | 90.1 | Very high | 90 | Very high | 52 Ų | 52 | 47 Ų | 47 | 23% | 0.228 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -33.8 | 173.5 | -69.5 | -70 | 0 | 0 | 0 | 112.4 | G22 L23 N29 K94 F95 Y96 | G22-F25 WeakPolarHBondContact O-CB 3.24Å; G22-F25 PolarHBondContact O-N 3.14Å; L23-F25 VanDerWaalsContact C-N 3.26Å; L23-F25 PolarHBondContact O-N 3.46Å; F25-N29 VanDerWaalsContact O-CB 3.24Å; F25-N29 WeakPolarHBondContact O-CB 3.46Å; F25-N29 PolarHBondContact O-N 3.21Å; F25-K94 WeakPolarHBondContact CE1-O 3.32Å; F25-F95 AromaticContact CZ-CD1 3.89Å; F25-F95 HydrophobicContact CZ-CD1 3.89Å; F25-F95 HydrophobicContact CZ-CE1 4.13Å; F25-F95 HydrophobicContact CZ-CG 4.44Å; F25-Y96 AromaticContact CD1-CD1 3.85Å; F25-Y96 HydrophobicContact CD1-CD1 3.85Å; F25-Y96 AromaticContact CD2-CD1 3.56Å; F25-Y96 HydrophobicContact CD2-CD1 3.56Å; F25-Y96 AromaticContact CD2-CE1 3.68Å; F25-Y96 HydrophobicContact CD2-CE1 3.68Å; F25-Y96 AromaticContact CE1-CD1 3.72Å; F25-Y96 HydrophobicContact CE1-CD1 3.72Å; F25-Y96 HydrophobicContact CE1-CE1 4.44Å; F25-Y96 AromaticContact CE2-CD1 3.42Å; F25-Y96 HydrophobicContact CE2-CD1 3.42Å; F25-Y96 VanDerWaalsContact CE2-CD1 3.42Å; F25-Y96 AromaticContact CE2-CE1 3.35Å; F25-Y96 HydrophobicContact CE2-CE1 3.35Å; F25-Y96 AromaticContact CG-CD1 3.78Å; F25-Y96 HydrophobicContact CG-CD1 3.78Å; F25-Y96 HydrophobicContact CG-CE1 4.37Å; F25-Y96 AromaticContact CZ-CD1 3.5Å; F25-Y96 HydrophobicContact CZ-CD1 3.5Å; F25-Y96 AromaticContact CZ-CE1 3.78Å; F25-Y96 HydrophobicContact CZ-CE1 3.78Å |
| 26 | L | 89 | Confident | 90 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | 178.1 | -59.4 | -179.6 | 0 | 0 | 0 | 111.1 | M1 W6 I12 L23 P24 T30 | M1-L26 HydrophobicContact CE-CD2 4.12Å; W6-L26 HydrophobicContact CE3-CD2 4.23Å; W6-L26 HydrophobicContact CH2-CD1 4.36Å; W6-L26 HydrophobicContact CH2-CD2 3.46Å; W6-L26 VanDerWaalsContact CH2-CD2 3.46Å; W6-L26 HydrophobicContact CZ2-CD2 3.93Å; W6-L26 HydrophobicContact CZ3-CD1 4Å; W6-L26 HydrophobicContact CZ3-CD2 3.63Å; W6-L26 HydrophobicContact CZ3-CG 4.37Å; I12-L26 HydrophobicContact CD1-CD1 3.89Å; L23-L26 HydrophobicContact CD1-CD1 4.32Å; L23-L26 WeakPolarHBondContact O-CB 3.24Å; L23-L26 PolarHBondContact O-N 3.02Å; P24-L26 PolarHBondContact O-N 3.34Å; L26-T30 HydrophobicContact CD2-CG2 4.43Å; L26-T30 VanDerWaalsContact O-CB 3.32Å; L26-T30 WeakPolarHBondContact O-CB 3.3Å; L26-T30 PolarHBondContact O-N 3.11Å; L26-T30 VanDerWaalsContact O-N 3.1Å; L26-T30 PolarHBondContact O-OG1 3.23Å |
| 27 | F | 87.1 | Confident | 90.1 | Very high | 52 Ų | 52 | 47.2 Ų | 47.2 | 23% | 0.228 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -30.2 | 178.8 | -80.2 | -90.5 | 0 | 0 | 0 | 113.6 | L23 P24 F32 V36 A104 N107 | L23-F27 HydrophobicContact CD1-CD2 4.33Å; L23-F27 HydrophobicContact CD1-CE2 3.89Å; L23-F27 HydrophobicContact CD2-CE2 4.5Å; L23-F27 HydrophobicContact CG-CD2 4.23Å; L23-F27 HydrophobicContact CG-CE2 4Å; L23-F27 PolarHBondContact O-N 3.21Å; P24-F27 PolarHBondContact O-N 3.33Å; F27-F32 HydrophobicContact CE1-CD1 4.28Å; F27-F32 HydrophobicContact CE2-CD1 4.39Å; F27-F32 HydrophobicContact CE2-CE1 4.47Å; F27-F32 HydrophobicContact CZ-CD1 4.04Å; F27-F32 HydrophobicContact CZ-CE1 4.02Å; F27-V36 HydrophobicContact CE2-CG2 4.06Å; F27-V36 HydrophobicContact CZ-CG2 3.95Å; F27-A104 HydrophobicContact CB-CB 4.36Å; F27-A104 HydrophobicContact CD2-CB 3.62Å; F27-A104 HydrophobicContact CE2-CB 4.12Å; F27-A104 HydrophobicContact CG-CB 4.09Å; F27-N107 HydrophobicContact CE1-CB 3.93Å; F27-N107 VanDerWaalsContact CE1-ND2 3.34Å; F27-N107 WeakPolarHBondContact CE1-ND2 3.32Å; F27-N107 HydrophobicContact CZ-CB 3.76Å |
| 28 | E | 83.8 | Confident | 90.3 | Very high | 93 Ų | 93 | 46.5 Ų | 46.5 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -84.8 | -38.4 | -179.6 | -168 | 168.5 | 175.2 | 0 | 0 | 112.7 | P24 Y96 | P24-E28 PolarHBondContact O-N 3.02Å; E28-Y96 WeakPolarHBondContact OE2-CA 3.44Å; E28-Y96 VanDerWaalsContact OE2-CB 3.25Å; E28-Y96 WeakPolarHBondContact OE2-CB 3.37Å |
| 29 | N | 82.2 | Confident | 90.7 | Very high | 81 Ų | 81 | 44.5 Ų | 44.5 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -104.1 | -6.3 | -170.2 | -59.8 | -28.3 | 0 | 0 | 0 | 114.3 | F25 T93 | F25-N29 VanDerWaalsContact O-CB 3.24Å; F25-N29 WeakPolarHBondContact O-CB 3.46Å; F25-N29 PolarHBondContact O-N 3.21Å; N29-T93 PolarHBondContact ND2-OG1 2.96Å |
| 30 | T | 84.8 | Confident | 90.9 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -131.6 | 160.3 | -176.8 | 84.6 | 0 | 0 | 0 | 0 | 111.7 | W6 L26 F32 | W6-T30 HydrophobicContact CB-CG2 4.44Å; W6-T30 HydrophobicContact CD2-CG2 3.88Å; W6-T30 HydrophobicContact CG-CG2 3.76Å; L26-T30 HydrophobicContact CD2-CG2 4.43Å; L26-T30 VanDerWaalsContact O-CB 3.32Å; L26-T30 WeakPolarHBondContact O-CB 3.3Å; L26-T30 PolarHBondContact O-N 3.11Å; L26-T30 VanDerWaalsContact O-N 3.1Å; L26-T30 PolarHBondContact O-OG1 3.23Å; T30-F32 PolarHBondContact O-N 3.37Å; T30-F32 PolarHBondContact OG1-N 3.25Å |
| 31 | N | 85.3 | Confident | 91.1 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | trans | -90.6 | 33.6 | 175.4 | -60.2 | -49.8 | 0 | 0 | 0 | 112.5 | E7 R33 | E7-N31 HydrophobicContact CG-CB 3.85Å; E7-N31 WeakPolarHBondContact OE1-CB 3.5Å; E7-N31 PolarHBondContact OE1-ND2 3.13Å; N31-R33 WeakPolarHBondContact O-CG 3.49Å; N31-R33 PolarHBondContact O-N 3.24Å | ||
| 32 | F | 89.6 | Confident | 91.4 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | trans | -58.8 | 128.2 | 176.7 | 173.4 | -105.9 | 0 | 0 | 0 | 110.9 | I9 I12 F27 T30 G34 V36 | I9-F32 HydrophobicContact CB-CD2 4.09Å; I9-F32 HydrophobicContact CB-CE2 4.12Å; I9-F32 HydrophobicContact CG2-CD2 4.23Å; I9-F32 HydrophobicContact CG2-CE2 3.83Å; I9-F32 VanDerWaalsContact O-CE2 3.29Å; I9-F32 WeakPolarHBondContact O-CE2 3.43Å; I12-F32 HydrophobicContact CB-CZ 4.36Å; I12-F32 HydrophobicContact CD1-CD1 4.14Å; I12-F32 HydrophobicContact CD1-CD2 4.01Å; I12-F32 HydrophobicContact CD1-CE1 3.76Å; I12-F32 HydrophobicContact CD1-CE2 3.62Å; I12-F32 HydrophobicContact CD1-CG 4.25Å; I12-F32 HydrophobicContact CD1-CZ 3.47Å; I12-F32 VanDerWaalsContact CD1-CZ 3.47Å; I12-F32 HydrophobicContact CG1-CE1 4.38Å; I12-F32 HydrophobicContact CG1-CE2 3.72Å; I12-F32 HydrophobicContact CG1-CZ 3.63Å; F27-F32 HydrophobicContact CE1-CD1 4.28Å; F27-F32 HydrophobicContact CE2-CD1 4.39Å; F27-F32 HydrophobicContact CE2-CE1 4.47Å; F27-F32 HydrophobicContact CZ-CD1 4.04Å; F27-F32 HydrophobicContact CZ-CE1 4.02Å; T30-F32 PolarHBondContact O-N 3.37Å; T30-F32 PolarHBondContact OG1-N 3.25Å; F32-G34 WeakPolarHBondContact CE1-O 3.43Å; F32-G34 VanDerWaalsContact CZ-CA 3.41Å; F32-G34 WeakPolarHBondContact CZ-O 3.22Å; F32-V36 HydrophobicContact CE1-CG2 3.73Å; F32-V36 HydrophobicContact CZ-CG2 4.15Å | ||
| 33 | R | 86.5 | Confident | 91.7 | Very high | 216 Ų | 216 | 41.3 Ų | 41.3 | 82% | 0.815 | 20% | 0.195 | S | C | * | . | trans | -123.9 | 5.7 | 179 | -59.5 | -170.6 | -172.1 | -78 | -4 | 113.7 | N31 | N31-R33 WeakPolarHBondContact O-CG 3.49Å; N31-R33 PolarHBondContact O-N 3.24Å | ||
| 34 | G | 89.6 | Confident | 91.9 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -75.8 | -177.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D10 F32 | D10-G34 CarbonylContact O-C 3.48Å; D10-G34 WeakPolarHBondContact O-CA 3.35Å; F32-G34 WeakPolarHBondContact CE1-O 3.43Å; F32-G34 VanDerWaalsContact CZ-CA 3.41Å; F32-G34 WeakPolarHBondContact CZ-O 3.22Å |
| 35 | K | 92.8 | Very high | 92 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 147.6 | 174.2 | -64.4 | -175.8 | -179.9 | -178.7 | 0 | 110.9 | D10 V11 I12 F37 | D10-K35 PolarHBondContact O-N 2.98Å; V11-K35 CarbonylContact C-O 3.56Å; V11-K35 VanDerWaalsContact CA-O 3.27Å; V11-K35 WeakPolarHBondContact CA-O 3.36Å; I12-K35 PolarHBondContact N-O 2.91Å; K35-F37 HydrophobicContact CB-CE2 3.78Å; K35-F37 HydrophobicContact CB-CZ 4.03Å; K35-F37 HydrophobicContact CD-CZ 4.06Å |
| 36 | V | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.6 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | I12 V14 L23 F27 F32 I108 H109 | I12-V36 HydrophobicContact CB-CG1 4.28Å; I12-V36 HydrophobicContact CB-CG2 4.28Å; I12-V36 HydrophobicContact CG2-CG1 4.24Å; I12-V36 CarbonylContact O-C 3.53Å; I12-V36 WeakPolarHBondContact O-CA 3.29Å; V14-V36 HydrophobicContact CG2-CG1 3.83Å; L23-V36 HydrophobicContact CD1-CG1 4.21Å; L23-V36 HydrophobicContact CD1-CG2 4.24Å; L23-V36 HydrophobicContact CD2-CG1 4.06Å; F27-V36 HydrophobicContact CE2-CG2 4.06Å; F27-V36 HydrophobicContact CZ-CG2 3.95Å; F32-V36 HydrophobicContact CE1-CG2 3.73Å; F32-V36 HydrophobicContact CZ-CG2 4.15Å; V36-I108 HydrophobicContact CB-CG1 4.18Å; V36-I108 HydrophobicContact CG1-CG1 3.99Å; V36-I108 HydrophobicContact CG1-CG2 4.39Å; V36-H109 PolarHBondContact O-N 3.11Å |
| 37 | F | 97.7 | Very high | 92.6 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.9 | 176.6 | -61 | -86.7 | 0 | 0 | 0 | 111.3 | V11 I12 L13 V14 K35 H109 V111 V117 L119 I125 W139 | V11-F37 HydrophobicContact CG1-CD2 3.54Å; V11-F37 HydrophobicContact CG1-CE2 3.65Å; V11-F37 HydrophobicContact CG2-CE2 4.19Å; I12-F37 PolarHBondContact O-N 3.47Å; L13-F37 HydrophobicContact CD2-CB 3.96Å; L13-F37 HydrophobicContact CD2-CD2 4.02Å; L13-F37 HydrophobicContact CD2-CG 4.39Å; V14-F37 PolarHBondContact N-O 3.37Å; K35-F37 HydrophobicContact CB-CE2 3.78Å; K35-F37 HydrophobicContact CB-CZ 4.03Å; K35-F37 HydrophobicContact CD-CZ 4.06Å; F37-H109 WeakPolarHBondContact CA-O 3.36Å; F37-H109 HydrophobicContact CD1-CB 3.56Å; F37-H109 HydrophobicContact CE1-CB 3.66Å; F37-H109 HydrophobicContact CG-CB 4.44Å; F37-V111 HydrophobicContact CB-CG2 4.04Å; F37-V111 HydrophobicContact CD1-CG2 3.61Å; F37-V111 HydrophobicContact CG-CG2 4.27Å; F37-V117 HydrophobicContact CD1-CG1 4.43Å; F37-V117 HydrophobicContact CE1-CG1 3.74Å; F37-V117 HydrophobicContact CZ-CG1 4.04Å; F37-L119 HydrophobicContact CE2-CD2 3.72Å; F37-L119 HydrophobicContact CZ-CD2 3.84Å; F37-I125 HydrophobicContact CB-CD1 4.31Å; F37-I125 HydrophobicContact CD1-CD1 4.42Å; F37-I125 HydrophobicContact CD2-CD1 3.91Å; F37-I125 HydrophobicContact CE2-CD1 4.32Å; F37-I125 HydrophobicContact CG-CD1 3.96Å; F37-W139 HydrophobicContact CB-CH2 4.12Å |
| 38 | A | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 161.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | V14 V43 I108 H109 L110 V111 | V14-A38 HydrophobicContact CB-CB 3.8Å; V14-A38 HydrophobicContact CG1-CB 4.31Å; V14-A38 HydrophobicContact CG2-CB 4.39Å; A38-V43 HydrophobicContact CB-CG2 3.72Å; A38-I108 HydrophobicContact CB-CG2 3.66Å; A38-H109 PolarHBondContact N-O 2.99Å; A38-H109 VanDerWaalsContact N-O 3.16Å; A38-L110 CarbonylContact O-C 3.59Å; A38-L110 VanDerWaalsContact O-CA 3.32Å; A38-L110 WeakPolarHBondContact O-CA 3.16Å; A38-V111 PolarHBondContact O-N 3.5Å |
| 39 | T | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | trans | -76.9 | 151.5 | 168.4 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | V42 V43 V111 Y113 G135 C137 W352 | T39-V42 PolarHBondContact O-N 3.38Å; T39-V42 WeakPolarHBondContact OG1-CB 3.16Å; T39-V42 WeakPolarHBondContact OG1-CG2 3.27Å; T39-V43 WeakPolarHBondContact O-CG2 3.39Å; T39-V43 PolarHBondContact O-N 2.72Å; T39-V111 WeakPolarHBondContact CA-O 3.42Å; T39-V111 WeakPolarHBondContact CG2-O 3.37Å; T39-Y113 HydrophobicContact CG2-CD1 4.32Å; T39-Y113 HydrophobicContact CG2-CE1 4.11Å; T39-G135 WeakPolarHBondContact CB-O 3.46Å; T39-G135 WeakPolarHBondContact CG2-O 3.34Å; T39-G135 PolarHBondContact OG1-O 2.95Å; T39-C137 HydrophobicContact CG2-CB 4.25Å; T39-W352 HydrophobicContact CG2-CH2 3.94Å; T39-W352 HydrophobicContact CG2-CZ3 3.8Å | ||
| 40 | E | 97 | Very high | 94.1 | Very high | 69 Ų | 69 | 34.1 Ų | 34.1 | 32% | 0.322 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.1 | -46.9 | -178.6 | -172.4 | -177.6 | 165.7 | 0 | 0 | 113.8 | V42 V43 K44 L110 Y349 | E40-V42 VanDerWaalsContact C-N 3.29Å; E40-V42 PolarHBondContact O-N 2.92Å; E40-V43 PolarHBondContact O-N 3.05Å; E40-V43 VanDerWaalsContact O-N 3.14Å; E40-K44 HydrophobicContact CG-CG 4.38Å; E40-K44 PolarHBondContact O-N 3.37Å; E40-K44 WeakPolarHBondContact OE1-CE 3.29Å; E40-L110 HydrophobicContact CB-CD1 4.17Å; E40-L110 HydrophobicContact CB-CD2 4.42Å; E40-L110 HydrophobicContact CG-CD1 4Å; E40-Y349 HydrophobicContact CG-CE1 4.09Å; E40-Y349 WeakPolarHBondContact CG-OH 3.33Å; E40-Y349 PolarHBondContact OE1-OH 2.94Å |
| 41 | P | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | -178.9 | -18.5 | 29.9 | 0 | 0 | 0 | 112.2 | V43 K44 F45 I134 Y349 W352 | P41-V43 VanDerWaalsContact C-N 3.32Å; P41-V43 PolarHBondContact O-N 3.22Å; P41-K44 PolarHBondContact O-N 3.41Å; P41-F45 HydrophobicContact CB-CD2 4.22Å; P41-F45 HydrophobicContact CB-CE2 4.36Å; P41-F45 WeakPolarHBondContact O-CB 3.36Å; P41-F45 VanDerWaalsContact O-CD2 3.23Å; P41-F45 WeakPolarHBondContact O-CD2 3.23Å; P41-F45 PolarHBondContact O-N 2.97Å; P41-I134 HydrophobicContact CB-CG2 3.87Å; P41-I134 HydrophobicContact CG-CG2 4.33Å; P41-Y349 HydrophobicContact CB-CD1 4.44Å; P41-Y349 HydrophobicContact CB-CD2 4.17Å; P41-Y349 HydrophobicContact CB-CG 4.15Å; P41-Y349 HydrophobicContact CG-CD1 3.82Å; P41-Y349 HydrophobicContact CG-CD2 4.41Å; P41-Y349 HydrophobicContact CG-CE1 4.22Å; P41-Y349 HydrophobicContact CG-CG 3.94Å; P41-W352 HydrophobicContact CG-CB 4.47Å; P41-W352 HydrophobicContact CG-CD2 3.48Å; P41-W352 VanDerWaalsContact CG-CD2 3.48Å; P41-W352 HydrophobicContact CG-CE3 3.94Å; P41-W352 HydrophobicContact CG-CG 3.7Å; P41-W352 HydrophobicContact CG-CH2 4.48Å; P41-W352 HydrophobicContact CG-CZ2 4.08Å; P41-W352 HydrophobicContact CG-CZ3 4.41Å |
| 42 | V | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 175.5 | 163.9 | 0 | 0 | 0 | 0 | 109.8 | V14 N16 I20 T39 E40 K44 G46 G135 | V14-V42 HydrophobicContact CG1-CG1 3.85Å; N16-V42 VanDerWaalsContact C-CG1 3.48Å; I20-V42 HydrophobicContact CD1-CB 4.46Å; I20-V42 HydrophobicContact CD1-CG1 3.45Å; I20-V42 VanDerWaalsContact CD1-CG1 3.45Å; I20-V42 WeakPolarHBondContact CD1-O 3.46Å; I20-V42 HydrophobicContact CG1-CG1 4.13Å; T39-V42 PolarHBondContact O-N 3.38Å; T39-V42 WeakPolarHBondContact OG1-CB 3.16Å; T39-V42 WeakPolarHBondContact OG1-CG2 3.27Å; E40-V42 VanDerWaalsContact C-N 3.29Å; E40-V42 PolarHBondContact O-N 2.92Å; V42-K44 PolarHBondContact O-N 3.46Å; V42-G46 WeakPolarHBondContact O-CA 3.45Å; V42-G46 PolarHBondContact O-N 3.05Å; V42-G135 VanDerWaalsContact CG2-C 3.42Å; V42-G135 VanDerWaalsContact CG2-O 3.24Å; V42-G135 WeakPolarHBondContact CG2-O 3.37Å |
| 43 | V | 97.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 176.5 | 179 | 0 | 0 | 0 | 0 | 112.1 | A38 T39 E40 P41 G46 K47 L105 I108 L110 | A38-V43 HydrophobicContact CB-CG2 3.72Å; T39-V43 WeakPolarHBondContact O-CG2 3.39Å; T39-V43 PolarHBondContact O-N 2.72Å; E40-V43 PolarHBondContact O-N 3.05Å; E40-V43 VanDerWaalsContact O-N 3.14Å; P41-V43 VanDerWaalsContact C-N 3.32Å; P41-V43 PolarHBondContact O-N 3.22Å; V43-G46 PolarHBondContact O-N 3.42Å; V43-K47 PolarHBondContact O-N 3.19Å; V43-L105 HydrophobicContact CG1-CD2 4.28Å; V43-I108 HydrophobicContact CG1-CD1 4.29Å; V43-I108 HydrophobicContact CG2-CB 4.46Å; V43-I108 HydrophobicContact CG2-CD1 3.89Å; V43-I108 HydrophobicContact CG2-CG2 3.88Å; V43-L110 HydrophobicContact CB-CD2 4.38Å; V43-L110 HydrophobicContact CG2-CD2 3.85Å |
| 44 | K | 96.4 | Very high | 95.1 | Very high | 65 Ų | 65 | 20.4 Ų | 20.4 | 28% | 0.283 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -67.2 | -47.7 | -178.3 | -66.1 | -43.3 | 178.7 | 176.6 | 0 | 113.3 | E40 P41 V42 G46 K47 I48 Y345 Y349 | E40-K44 HydrophobicContact CG-CG 4.38Å; E40-K44 PolarHBondContact O-N 3.37Å; E40-K44 WeakPolarHBondContact OE1-CE 3.29Å; P41-K44 PolarHBondContact O-N 3.41Å; V42-K44 PolarHBondContact O-N 3.46Å; K44-G46 VanDerWaalsContact C-N 3.28Å; K44-G46 PolarHBondContact O-N 3.24Å; K44-K47 WeakPolarHBondContact O-CB 3.39Å; K44-K47 PolarHBondContact O-N 3.47Å; K44-I48 PolarHBondContact O-N 3.19Å; K44-I48 VanDerWaalsContact O-N 3.14Å; K44-Y345 HydrophobicContact CB-CD2 3.76Å; K44-Y345 HydrophobicContact CB-CE2 3.61Å; K44-Y345 HydrophobicContact CD-CE2 4.37Å; K44-Y345 HydrophobicContact CG-CD2 4.48Å; K44-Y345 HydrophobicContact CG-CE2 4.1Å; K44-Y349 HydrophobicContact CB-CE2 4.15Å; K44-Y349 WeakPolarHBondContact CE-OH 3.2Å; K44-Y349 HydrophobicContact CG-CE2 3.91Å; K44-Y349 WeakPolarHBondContact CG-OH 3.05Å |
| 45 | F | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.6 | -30.9 | 176 | -73.6 | -65.5 | 0 | 0 | 0 | 111.4 | T17 P41 I48 L49 I134 S216 F220 Y349 | T17-F45 HydrophobicContact CG2-CB 3.54Å; P41-F45 HydrophobicContact CB-CD2 4.22Å; P41-F45 HydrophobicContact CB-CE2 4.36Å; P41-F45 WeakPolarHBondContact O-CB 3.36Å; P41-F45 VanDerWaalsContact O-CD2 3.23Å; P41-F45 WeakPolarHBondContact O-CD2 3.23Å; P41-F45 PolarHBondContact O-N 2.97Å; F45-I48 HydrophobicContact CD1-CD1 3.85Å; F45-I48 HydrophobicContact CE1-CD1 4.3Å; F45-I48 WeakPolarHBondContact O-CB 3.43Å; F45-I48 PolarHBondContact O-N 3.38Å; F45-L49 PolarHBondContact O-N 3.47Å; F45-L49 VanDerWaalsContact O-N 3.07Å; F45-I134 HydrophobicContact CD2-CB 4.39Å; F45-I134 HydrophobicContact CE2-CB 3.85Å; F45-I134 HydrophobicContact CE2-CD1 3.98Å; F45-I134 HydrophobicContact CE2-CG1 4.46Å; F45-I134 HydrophobicContact CE2-CG2 4Å; F45-I134 HydrophobicContact CZ-CD1 3.98Å; F45-S216 WeakPolarHBondContact CD1-OG 3.44Å; F45-S216 WeakPolarHBondContact CG-OG 3.38Å; F45-F220 HydrophobicContact CE1-CE2 4.14Å; F45-F220 AromaticContact CE1-CZ 3.96Å; F45-F220 HydrophobicContact CE1-CZ 3.96Å; F45-F220 HydrophobicContact CZ-CE2 4.2Å; F45-F220 HydrophobicContact CZ-CZ 4.38Å; F45-Y349 HydrophobicContact CE2-CD2 4.38Å |
| 46 | G | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | T17 V42 V43 K44 I48 L49 I50 | T17-G46 VanDerWaalsContact CG2-N 3.33Å; V42-G46 WeakPolarHBondContact O-CA 3.45Å; V42-G46 PolarHBondContact O-N 3.05Å; V43-G46 PolarHBondContact O-N 3.42Å; K44-G46 VanDerWaalsContact C-N 3.28Å; K44-G46 PolarHBondContact O-N 3.24Å; G46-I48 VanDerWaalsContact C-N 3.32Å; G46-I48 PolarHBondContact O-N 2.93Å; G46-L49 PolarHBondContact O-N 3.46Å; G46-I50 WeakPolarHBondContact O-CG1 3.43Å; G46-I50 PolarHBondContact O-N 3.11Å |
| 47 | K | 95.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 17.6 Ų | 17.6 | 32% | 0.317 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 172 | -177.8 | 175.4 | 171 | 52.7 | 0 | 112.3 | V43 K44 L49 I50 D51 L105 | V43-K47 PolarHBondContact O-N 3.19Å; K44-K47 WeakPolarHBondContact O-CB 3.39Å; K44-K47 PolarHBondContact O-N 3.47Å; K47-L49 PolarHBondContact O-N 3.23Å; K47-I50 PolarHBondContact O-N 3.23Å; K47-D51 WeakPolarHBondContact CE-OD2 3.43Å; K47-D51 VanDerWaalsContact CG-OD2 3.32Å; K47-D51 WeakPolarHBondContact CG-OD2 3.34Å; K47-D51 IonicContact NZ-OD1 2.91Å; K47-D51 IonicContact NZ-OD2 3.91Å; K47-D51 PolarHBondContact NZ-OD2 2.96Å; K47-D51 WeakPolarHBondContact O-CB 3.42Å; K47-D51 PolarHBondContact O-N 3.2Å; K47-L105 HydrophobicContact CB-CD1 3.81Å; K47-L105 HydrophobicContact CD-CD1 4.1Å; K47-L105 HydrophobicContact CG-CD1 3.97Å |
| 48 | I | 95.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.7 | -48.7 | 174.7 | -76.3 | 166.5 | 0 | 0 | 0 | 110.9 | K44 F45 G46 I50 D51 D52 P215 Q338 V341 Y345 | K44-I48 PolarHBondContact O-N 3.19Å; K44-I48 VanDerWaalsContact O-N 3.14Å; F45-I48 HydrophobicContact CD1-CD1 3.85Å; F45-I48 HydrophobicContact CE1-CD1 4.3Å; F45-I48 WeakPolarHBondContact O-CB 3.43Å; F45-I48 PolarHBondContact O-N 3.38Å; G46-I48 VanDerWaalsContact C-N 3.32Å; G46-I48 PolarHBondContact O-N 2.93Å; I48-I50 PolarHBondContact O-N 3.41Å; I48-D51 PolarHBondContact O-N 2.95Å; I48-D52 WeakPolarHBondContact O-CB 3.28Å; I48-D52 PolarHBondContact O-N 3.43Å; I48-P215 HydrophobicContact CG2-CB 4.32Å; I48-P215 HydrophobicContact CG2-CG 3.74Å; I48-Q338 HydrophobicContact CB-CB 4.35Å; I48-Q338 HydrophobicContact CG1-CB 4.32Å; I48-Q338 HydrophobicContact CG2-CB 3.72Å; I48-Q338 HydrophobicContact CG2-CG 4.36Å; I48-V341 HydrophobicContact CD1-CG1 4.14Å; I48-V341 HydrophobicContact CG1-CG1 4.25Å; I48-Y345 HydrophobicContact CD1-CD2 3.57Å; I48-Y345 HydrophobicContact CD1-CE2 4.08Å |
| 49 | L | 94 | Very high | 92.5 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 9% | 0.094 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 179.2 | -63.2 | -175.2 | 0 | 0 | 0 | 112.1 | T17 L21 F45 G46 K47 L53 N214 P215 | T17-L49 HydrophobicContact CG2-CD1 3.63Å; T17-L49 HydrophobicContact CG2-CG 4.13Å; L21-L49 HydrophobicContact CD2-CB 3.93Å; F45-L49 PolarHBondContact O-N 3.47Å; F45-L49 VanDerWaalsContact O-N 3.07Å; G46-L49 PolarHBondContact O-N 3.46Å; K47-L49 PolarHBondContact O-N 3.23Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 PolarHBondContact O-N 3.39Å; L49-N214 HydrophobicContact CD2-CB 4.05Å; L49-P215 HydrophobicContact CD2-CG 4.15Å |
| 50 | I | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -48.7 | 177.6 | -68.7 | 177.6 | 0 | 0 | 0 | 111.2 | I20 L21 P24 G46 K47 I48 D52 L53 L54 Y96 V101 | I20-I50 HydrophobicContact CG2-CD1 3.76Å; L21-I50 HydrophobicContact CD2-CG1 3.7Å; P24-I50 HydrophobicContact CG-CD1 4.02Å; G46-I50 WeakPolarHBondContact O-CG1 3.43Å; G46-I50 PolarHBondContact O-N 3.11Å; K47-I50 PolarHBondContact O-N 3.23Å; I48-I50 PolarHBondContact O-N 3.41Å; I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 PolarHBondContact O-N 3.36Å; I50-L53 PolarHBondContact O-N 3.03Å; I50-L54 HydrophobicContact CG2-CD1 3.88Å; I50-L54 HydrophobicContact CG2-CG 4.19Å; I50-L54 WeakPolarHBondContact O-CB 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 2.78Å; I50-Y96 WeakPolarHBondContact CG1-OH 3.39Å; I50-Y96 HydrophobicContact CG2-CE2 3.64Å; I50-Y96 WeakPolarHBondContact CG2-OH 2.97Å; I50-V101 HydrophobicContact CD1-CG1 4.23Å; I50-V101 HydrophobicContact CG2-CB 4.37Å; I50-V101 HydrophobicContact CG2-CG1 3.81Å; I50-V101 HydrophobicContact CG2-CG2 3.61Å |
| 51 | D | 93.4 | Very high | 90 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 12% | 0.118 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.5 | -34 | -176.9 | -73.9 | -26 | 0 | 0 | 0 | 111.1 | K47 I48 C55 Q338 | K47-D51 WeakPolarHBondContact CE-OD2 3.43Å; K47-D51 VanDerWaalsContact CG-OD2 3.32Å; K47-D51 WeakPolarHBondContact CG-OD2 3.34Å; K47-D51 IonicContact NZ-OD1 2.91Å; K47-D51 IonicContact NZ-OD2 3.91Å; K47-D51 PolarHBondContact NZ-OD2 2.96Å; K47-D51 WeakPolarHBondContact O-CB 3.42Å; K47-D51 PolarHBondContact O-N 3.2Å; I48-D51 PolarHBondContact O-N 2.95Å; D51-C55 WeakPolarHBondContact O-CB 3.48Å; D51-C55 PolarHBondContact O-N 3.22Å; D51-C55 VanDerWaalsContact O-N 3.14Å; D51-C55 PolarHBondContact O-SG 2.98Å; D51-Q338 HydrophobicContact CB-CG 4.15Å |
| 52 | D | 91.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | 171.7 | -155.8 | 68.6 | 0 | 0 | 0 | 110.6 | I48 I50 C55 E56 S336 N337 Q338 S484 | I48-D52 WeakPolarHBondContact O-CB 3.28Å; I48-D52 PolarHBondContact O-N 3.43Å; I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 PolarHBondContact O-N 3.36Å; D52-C55 PolarHBondContact O-N 3.24Å; D52-E56 WeakPolarHBondContact O-CG 3.49Å; D52-E56 PolarHBondContact O-N 3.5Å; D52-E56 VanDerWaalsContact O-N 3.17Å; D52-S336 PolarHBondContact OD1-OG 2.98Å; D52-N337 PolarHBondContact OD1-N 2.77Å; D52-Q338 HydrophobicContact CB-CG 4.25Å; D52-S484 WeakPolarHBondContact OD2-CB 3.48Å; D52-S484 PolarHBondContact OD2-OG 3.09Å |
| 53 | L | 91.3 | Very high | 86.1 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -49 | 176 | 172.3 | 62.3 | 0 | 0 | 0 | 113 | L49 I50 C55 E56 L57 F95 P486 L490 | L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 PolarHBondContact O-N 3.39Å; I50-L53 PolarHBondContact O-N 3.03Å; L53-C55 VanDerWaalsContact C-N 3.31Å; L53-C55 PolarHBondContact O-N 3.25Å; L53-E56 PolarHBondContact O-N 2.75Å; L53-L57 HydrophobicContact CD1-CD1 4.04Å; L53-L57 HydrophobicContact CD1-CG 4.2Å; L53-L57 HydrophobicContact CG-CD1 4.07Å; L53-L57 WeakPolarHBondContact O-CG 3.24Å; L53-L57 PolarHBondContact O-N 2.98Å; L53-F95 HydrophobicContact CD2-CE1 3.91Å; L53-P486 HydrophobicContact CB-CG 4.27Å; L53-P486 HydrophobicContact CD1-CB 3.79Å; L53-P486 HydrophobicContact CD1-CG 3.67Å; L53-L490 HydrophobicContact CD1-CD1 4.21Å |
| 54 | L | 91.5 | Very high | 83.9 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | -179.2 | -72.2 | 179.8 | 0 | 0 | 0 | 111.8 | I50 E56 L57 D58 Y96 R98 V101 | I50-L54 HydrophobicContact CG2-CD1 3.88Å; I50-L54 HydrophobicContact CG2-CG 4.19Å; I50-L54 WeakPolarHBondContact O-CB 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 2.78Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 2.62Å; L54-L57 HydrophobicContact CD2-CD1 4.46Å; L54-L57 PolarHBondContact O-N 2.61Å; L54-D58 VanDerWaalsContact O-CG 3.26Å; L54-D58 PolarHBondContact O-N 3.11Å; L54-Y96 HydrophobicContact CD1-CD2 4.49Å; L54-Y96 HydrophobicContact CD1-CE2 4.11Å; L54-Y96 HydrophobicContact CD2-CD2 4.28Å; L54-Y96 HydrophobicContact CD2-CE2 4.03Å; L54-Y96 HydrophobicContact CG-CE2 4.24Å; L54-R98 HydrophobicContact CD1-CG 3.83Å; L54-V101 HydrophobicContact CD1-CG2 4.03Å |
| 55 | C | 88.9 | Confident | 81.4 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | 176.5 | -77.4 | 0 | 0 | 0 | 0 | 113.4 | D51 D52 L53 Q59 R98 N337 | D51-C55 WeakPolarHBondContact O-CB 3.48Å; D51-C55 PolarHBondContact O-N 3.22Å; D51-C55 VanDerWaalsContact O-N 3.14Å; D51-C55 PolarHBondContact O-SG 2.98Å; D52-C55 PolarHBondContact O-N 3.24Å; L53-C55 VanDerWaalsContact C-N 3.31Å; L53-C55 PolarHBondContact O-N 3.25Å; C55-Q59 WeakPolarHBondContact O-CG 3.24Å; C55-Q59 PolarHBondContact O-N 3.36Å; C55-Q59 PolarHBondContact O-NE2 3.34Å; C55-Q59 VanDerWaalsContact O-NE2 3.07Å; C55-R98 PolarHBondContact SG-NH2 3.49Å; C55-N337 HydrophobicContact CB-CB 4.47Å; C55-N337 WeakPolarHBondContact CB-ND2 3.48Å; C55-N337 PolarHBondContact SG-ND2 3.31Å |
| 56 | E | 84.5 | Confident | 78.8 | Confident | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.4 | -35.8 | 172.4 | -66.2 | -56.5 | 142.5 | 0 | 0 | 112.1 | D52 L53 L54 L60 G491 | D52-E56 WeakPolarHBondContact O-CG 3.49Å; D52-E56 PolarHBondContact O-N 3.5Å; D52-E56 VanDerWaalsContact O-N 3.17Å; L53-E56 PolarHBondContact O-N 2.75Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 2.62Å; E56-L60 PolarHBondContact O-N 2.78Å; E56-G491 WeakPolarHBondContact OE2-CA 3.39Å; E56-G491 PolarHBondContact OE2-N 3.13Å |
| 57 | L | 86.5 | Confident | 76.1 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 175.9 | -71.9 | 172.2 | 0 | 0 | 0 | 112.4 | L53 L54 Q59 L60 F61 F95 L490 | L53-L57 HydrophobicContact CD1-CD1 4.04Å; L53-L57 HydrophobicContact CD1-CG 4.2Å; L53-L57 HydrophobicContact CG-CD1 4.07Å; L53-L57 WeakPolarHBondContact O-CG 3.24Å; L53-L57 PolarHBondContact O-N 2.98Å; L54-L57 HydrophobicContact CD2-CD1 4.46Å; L54-L57 PolarHBondContact O-N 2.61Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.7Å; L57-L60 WeakPolarHBondContact O-CB 3.47Å; L57-L60 PolarHBondContact O-N 3.48Å; L57-L60 VanDerWaalsContact O-N 3.1Å; L57-F61 HydrophobicContact CB-CD2 4.47Å; L57-F61 HydrophobicContact CB-CE2 4.14Å; L57-F61 WeakPolarHBondContact O-CD2 2.96Å; L57-F61 PolarHBondContact O-N 3.49Å; L57-F95 HydrophobicContact CD1-CB 4.12Å; L57-F95 HydrophobicContact CD1-CD1 3.54Å; L57-F95 HydrophobicContact CD1-CD2 3.8Å; L57-F95 HydrophobicContact CD1-CE1 3.84Å; L57-F95 HydrophobicContact CD1-CE2 4.06Å; L57-F95 HydrophobicContact CD1-CG 3.53Å; L57-F95 HydrophobicContact CD1-CZ 4.08Å; L57-F95 HydrophobicContact CD2-CD2 4.47Å; L57-F95 HydrophobicContact CD2-CE2 4.38Å; L57-L490 HydrophobicContact CD2-CD1 3.99Å |
| 58 | D | 84.8 | Confident | 73.2 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 178.3 | -71.6 | -20.1 | 0 | 0 | 0 | 112.2 | L54 L60 F61 E62 R98 | L54-D58 VanDerWaalsContact O-CG 3.26Å; L54-D58 PolarHBondContact O-N 3.11Å; D58-L60 PolarHBondContact O-N 3.35Å; D58-F61 PolarHBondContact O-N 2.85Å; D58-E62 WeakPolarHBondContact O-CG 3.35Å; D58-E62 PolarHBondContact O-N 2.66Å; D58-R98 IonicContact OD1-NH1 3.06Å; D58-R98 IonicContact OD2-CZ 3.97Å; D58-R98 IonicContact OD2-NH1 3.88Å; D58-R98 PolarHBondContact OD2-NH1 3.2Å; D58-R98 IonicContact OD2-NH2 3Å; D58-R98 PolarHBondContact OD2-NH2 3.01Å |
| 59 | Q | 76.9 | Confident | 70.8 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.1 | -31.7 | 176.6 | -73.5 | 173.4 | 62.4 | 0 | 0 | 112.5 | C55 L57 S63 | C55-Q59 WeakPolarHBondContact O-CG 3.24Å; C55-Q59 PolarHBondContact O-N 3.36Å; C55-Q59 PolarHBondContact O-NE2 3.34Å; C55-Q59 VanDerWaalsContact O-NE2 3.07Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.7Å; Q59-S63 PolarHBondContact O-OG 3.38Å; Q59-S63 VanDerWaalsContact O-OG 3.08Å |
| 60 | L | 74 | Confident | 68.1 | Low | 83 Ų | 83 | 66.1 Ų | 66.1 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.5 | -43.9 | 174.2 | -68.3 | -176.6 | 0 | 0 | 0 | 112.4 | E56 L57 D58 E62 S63 E64 L490 | E56-L60 PolarHBondContact O-N 2.78Å; L57-L60 WeakPolarHBondContact O-CB 3.47Å; L57-L60 PolarHBondContact O-N 3.48Å; L57-L60 VanDerWaalsContact O-N 3.1Å; D58-L60 PolarHBondContact O-N 3.35Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 3.44Å; L60-S63 WeakPolarHBondContact O-CA 3.15Å; L60-S63 VanDerWaalsContact O-CB 3.3Å; L60-S63 WeakPolarHBondContact O-CB 3.1Å; L60-S63 PolarHBondContact O-N 2.89Å; L60-E64 PolarHBondContact O-N 3.24Å; L60-E64 VanDerWaalsContact O-N 3.08Å; L60-L490 HydrophobicContact CD1-CD2 3.17Å; L60-L490 HydrophobicContact CG-CD2 4.38Å |
| 61 | F | 68.4 | Low | 65.3 | Low | 96 Ų | 96 | 73.5 Ų | 73.5 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.8 | -34.2 | -179.4 | -70.1 | -58 | 0 | 0 | 0 | 112.7 | L57 D58 S63 E64 V65 | L57-F61 HydrophobicContact CB-CD2 4.47Å; L57-F61 HydrophobicContact CB-CE2 4.14Å; L57-F61 WeakPolarHBondContact O-CD2 2.96Å; L57-F61 PolarHBondContact O-N 3.49Å; D58-F61 PolarHBondContact O-N 2.85Å; F61-S63 PolarHBondContact O-N 2.91Å; F61-E64 PolarHBondContact O-N 2.94Å; F61-V65 PolarHBondContact O-N 2.99Å |
| 62 | E | 59.4 | Low | 62.8 | Low | 147 Ų | 147 | 77.3 Ų | 77.3 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.8 | -29.5 | 170.9 | -72.7 | -177.8 | -179.9 | 0 | 0 | 112.2 | D58 L60 | D58-E62 WeakPolarHBondContact O-CG 3.35Å; D58-E62 PolarHBondContact O-N 2.66Å; L60-E62 VanDerWaalsContact C-N 3.33Å; L60-E62 PolarHBondContact O-N 3.44Å |
| 63 | S | 51.5 | Low | 60.1 | Low | 75 Ų | 75 | 86.3 Ų | 86.3 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -79.4 | -33.1 | 177 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | Q59 L60 F61 V65 N66 | Q59-S63 PolarHBondContact O-OG 3.38Å; Q59-S63 VanDerWaalsContact O-OG 3.08Å; L60-S63 WeakPolarHBondContact O-CA 3.15Å; L60-S63 VanDerWaalsContact O-CB 3.3Å; L60-S63 WeakPolarHBondContact O-CB 3.1Å; L60-S63 PolarHBondContact O-N 2.89Å; F61-S63 PolarHBondContact O-N 2.91Å; S63-V65 PolarHBondContact O-N 3.27Å; S63-N66 PolarHBondContact O-N 3.43Å |
| 64 | E | 51.9 | Low | 57.7 | Low | 84 Ų | 84 | 89.5 Ų | 89.5 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.7 | -26.1 | -178.9 | -76.8 | -172.7 | 167.3 | 0 | 0 | 114.2 | L60 F61 N66 S67 | L60-E64 PolarHBondContact O-N 3.24Å; L60-E64 VanDerWaalsContact O-N 3.08Å; F61-E64 PolarHBondContact O-N 2.94Å; E64-N66 PolarHBondContact O-N 2.68Å; E64-S67 PolarHBondContact O-N 3.44Å; E64-S67 VanDerWaalsContact O-O 3.06Å |
| 65 | V | 43.4 | Very low | 55.2 | Low | 127 Ų | 127 | 96 Ų | 96 | 77% | 0.77 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.3 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 112 | F61 S63 | F61-V65 PolarHBondContact O-N 2.99Å; S63-V65 PolarHBondContact O-N 3.27Å |
| 66 | N | 41.4 | Very low | 52.8 | Low | 152 Ų | 152 | 103.7 Ų | 103.7 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -3.9 | 175.3 | -69.7 | -43.4 | 0 | 0 | 0 | 115 | S63 E64 | S63-N66 PolarHBondContact O-N 3.43Å; E64-N66 PolarHBondContact O-N 2.68Å |
| 67 | S | 38.9 | Very low | 50.4 | Low | 54 Ų | 54 | 109.4 Ų | 109.4 | 38% | 0.378 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -133.5 | 120.7 | -176.4 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | E64 L69 | E64-S67 PolarHBondContact O-N 3.44Å; E64-S67 VanDerWaalsContact O-O 3.06Å; S67-L69 PolarHBondContact O-N 3.37Å |
| 68 | D | 34.7 | Very low | 48.4 | Very low | 113 Ų | 113 | 116.3 Ų | 116.3 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | trans | -69.2 | 66.3 | 179.4 | -148 | 20 | 0 | 0 | 0 | 110.9 | S70 K71 | D68-S70 PolarHBondContact O-N 2.91Å; D68-S70 VanDerWaalsContact O-N 3.16Å; D68-K71 IonicContact OD2-NZ 2.76Å; D68-K71 PolarHBondContact OD2-NZ 3.08Å | ||
| 69 | L | 46.6 | Very low | 46.7 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 52% | 0.518 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -70.7 | -7.4 | -174.1 | -137.6 | 81.5 | 0 | 0 | 0 | 113.3 | S67 K71 V72 | S67-L69 PolarHBondContact O-N 3.37Å; L69-K71 PolarHBondContact O-N 3.15Å; L69-V72 HydrophobicContact CG-CG2 4.31Å; L69-V72 PolarHBondContact O-N 2.86Å |
| 70 | S | 36.4 | Very low | 45.4 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -62 | -4.9 | 176.1 | 64.6 | 0 | 0 | 0 | 0 | 114.6 | D68 | D68-S70 PolarHBondContact O-N 2.91Å; D68-S70 VanDerWaalsContact O-N 3.16Å |
| 71 | K | 36.4 | Very low | 44.5 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 67% | 0.67 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -107.6 | 0.8 | -177.9 | -72.9 | 171.1 | -177.9 | 144.2 | 0 | 115.4 | D68 L69 K73 | D68-K71 IonicContact OD2-NZ 2.76Å; D68-K71 PolarHBondContact OD2-NZ 3.08Å; L69-K71 PolarHBondContact O-N 3.15Å; K71-K73 PolarHBondContact O-N 2.86Å |
| 72 | V | 39.8 | Very low | 43.7 | Very low | 103 Ų | 103 | 113 Ų | 113 | 62% | 0.624 | 61% | 0.605 | S | S | * | * | trans | -76.4 | 91.4 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | L69 V74 | L69-V72 HydrophobicContact CG-CG2 4.31Å; L69-V72 PolarHBondContact O-N 2.86Å; V72-V74 PolarHBondContact O-N 3.37Å; V72-V74 VanDerWaalsContact O-N 3.12Å | ||
| 73 | K | 35.7 | Very low | 43.4 | Very low | 193 Ų | 193 | 112 Ų | 112 | 84% | 0.839 | 60% | 0.596 | S | S | * | * | trans | -65.8 | 105.5 | 162.7 | -77.8 | -177.7 | 176.9 | 179 | 0 | 107.7 | K71 D75 | K71-K73 PolarHBondContact O-N 2.86Å; K73-D75 PolarHBondContact O-N 3.18Å | ||
| 74 | V | 41.4 | Very low | 43.6 | Very low | 87 Ų | 87 | 109.7 Ų | 109.7 | 53% | 0.527 | 58% | 0.577 | S | S | . | * | trans | -66.7 | 113.8 | 168.2 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | V72 K76 | V72-V74 PolarHBondContact O-N 3.37Å; V72-V74 VanDerWaalsContact O-N 3.12Å; V74-K76 PolarHBondContact O-N 3.3Å | ||
| 75 | D | 37.6 | Very low | 43.9 | Very low | 144 Ų | 144 | 110.5 Ų | 110.5 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | trans | -57.3 | 124.4 | 176.7 | -83.4 | -32.9 | 0 | 0 | 0 | 110.3 | K73 L77 | K73-D75 PolarHBondContact O-N 3.18Å; D75-L77 PolarHBondContact O-N 2.94Å | ||
| 76 | K | 38.9 | Very low | 44.4 | Very low | 188 Ų | 188 | 109.6 Ų | 109.6 | 82% | 0.817 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -73.5 | 12.3 | -166.1 | -92.8 | -173.3 | 174.2 | -173 | 0 | 116 | V74 | V74-K76 PolarHBondContact O-N 3.3Š|
| 77 | L | 33.6 | Very low | 45.2 | Very low | 145 Ų | 145 | 103.2 Ų | 103.2 | 76% | 0.759 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -136 | 116.6 | -170.5 | -126.5 | 69 | 0 | 0 | 0 | 110.4 | D75 | D75-L77 PolarHBondContact O-N 2.94Š|
| 78 | N | 45.9 | Very low | 46.2 | Very low | 159 Ų | 159 | 108.6 Ų | 108.6 | 85% | 0.85 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 93.7 | 5.6 | 167.5 | -52.3 | -18.2 | 0 | 0 | 0 | 119.7 | ||
| 79 | N | 48.3 | Very low | 47.5 | Very low | 86 Ų | 86 | 108.3 Ų | 108.3 | 46% | 0.46 | 56% | 0.562 | S | S | . | * | trans | -99.2 | 120.7 | 174.6 | -156.9 | -16.5 | 0 | 0 | 0 | 110.8 | I81 G82 | N79-I81 PolarHBondContact O-N 2.98Å; N79-I81 VanDerWaalsContact O-N 3.1Å; N79-G82 WeakPolarHBondContact O-CA 3.1Å; N79-G82 PolarHBondContact O-N 3.38Å | ||
| 80 | P | 50.3 | Low | 48.4 | Very low | 54 Ų | 54 | 105.4 Ų | 105.4 | 35% | 0.351 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.8 | -22.6 | 176.7 | 20.4 | -31.6 | 0 | 0 | 0 | 113.1 | G82 Y83 R550 | P80-G82 PolarHBondContact O-N 2.92Å; P80-Y83 PolarHBondContact O-N 3.43Å; P80-R550 VanDerWaalsContact CB-NH2 3.31Å |
| 81 | I | 55 | Low | 49.9 | Very low | 88 Ų | 88 | 107.1 Ų | 107.1 | 45% | 0.451 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -29.1 | 171.9 | -60.2 | 171.4 | 0 | 0 | 0 | 111.5 | N79 Y83 L84 L85 | N79-I81 PolarHBondContact O-N 2.98Å; N79-I81 VanDerWaalsContact O-N 3.1Å; I81-Y83 PolarHBondContact O-N 3.13Å; I81-L84 PolarHBondContact O-N 3.08Å; I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 3.98Å; I81-L85 WeakPolarHBondContact O-CG 3.33Å; I81-L85 PolarHBondContact O-N 3.11Å |
| 82 | G | 50 | Low | 51.7 | Low | 17 Ų | 17 | 108 Ų | 108 | 18% | 0.175 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -61.5 | -31.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N79 P80 N86 | N79-G82 WeakPolarHBondContact O-CA 3.1Å; N79-G82 PolarHBondContact O-N 3.38Å; P80-G82 PolarHBondContact O-N 2.92Å; G82-N86 VanDerWaalsContact O-CB 3.25Å; G82-N86 WeakPolarHBondContact O-CB 3.45Å; G82-N86 PolarHBondContact O-N 3.5Å; G82-N86 VanDerWaalsContact O-N 3.13Å; G82-N86 PolarHBondContact O-ND2 3.42Å |
| 83 | Y | 53.2 | Low | 53.3 | Low | 128 Ų | 128 | 106.5 Ų | 106.5 | 50% | 0.502 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 171.5 | -179.2 | -93.1 | 0 | 0 | 0 | 111 | P80 I81 L85 N86 S87 E89 | P80-Y83 PolarHBondContact O-N 3.43Å; I81-Y83 PolarHBondContact O-N 3.13Å; Y83-L85 VanDerWaalsContact C-N 3.34Å; Y83-L85 PolarHBondContact O-N 2.88Å; Y83-N86 PolarHBondContact O-N 3.33Å; Y83-S87 WeakPolarHBondContact O-CA 3.1Å; Y83-S87 WeakPolarHBondContact O-CB 3.49Å; Y83-S87 PolarHBondContact O-N 2.96Å; Y83-E89 PolarHBondContact OH-OE2 2.79Å |
| 84 | L | 56.3 | Low | 55.4 | Low | 25 Ų | 25 | 105.8 Ų | 105.8 | 13% | 0.131 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -65.6 | -35.4 | -179.5 | -67.1 | 170.5 | 0 | 0 | 0 | 113.4 | I81 F90 W92 P532 F534 | I81-L84 PolarHBondContact O-N 3.08Å; L84-F90 HydrophobicContact CD2-CE2 4.11Å; L84-W92 HydrophobicContact CB-CZ2 4.48Å; L84-W92 PolarHBondContact O-NE1 3.45Å; L84-P532 HydrophobicContact CD1-CB 3.89Å; L84-P532 HydrophobicContact CD1-CG 3.76Å; L84-F534 HydrophobicContact CD2-CD2 3.58Å; L84-F534 HydrophobicContact CD2-CE2 3.89Å; L84-F534 HydrophobicContact CD2-CG 4.28Å |
| 85 | L | 58 | Low | 57.5 | Low | 102 Ų | 102 | 105.7 Ų | 105.7 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -81.2 | -24.5 | 179.3 | -66.8 | 175.9 | 0 | 0 | 0 | 113.2 | I81 Y83 | I81-L85 HydrophobicContact CG2-CD1 3.75Å; I81-L85 HydrophobicContact CG2-CG 3.98Å; I81-L85 WeakPolarHBondContact O-CG 3.33Å; I81-L85 PolarHBondContact O-N 3.11Å; Y83-L85 VanDerWaalsContact C-N 3.34Å; Y83-L85 PolarHBondContact O-N 2.88Å |
| 86 | N | 53.4 | Low | 60 | Low | 108 Ų | 108 | 99.1 Ų | 99.1 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -112.6 | -0.3 | -176.8 | -59.8 | -60 | 0 | 0 | 0 | 113.9 | G82 Y83 D88 | G82-N86 VanDerWaalsContact O-CB 3.25Å; G82-N86 WeakPolarHBondContact O-CB 3.45Å; G82-N86 PolarHBondContact O-N 3.5Å; G82-N86 VanDerWaalsContact O-N 3.13Å; G82-N86 PolarHBondContact O-ND2 3.42Å; Y83-N86 PolarHBondContact O-N 3.33Å; N86-D88 PolarHBondContact O-N 3.13Å |
| 87 | S | 59.5 | Low | 62.3 | Low | 17 Ų | 17 | 93 Ų | 93 | 12% | 0.119 | 47% | 0.469 | C | S | . | . | trans | -77.3 | 123.2 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | Y83 E89 F90 | Y83-S87 WeakPolarHBondContact O-CA 3.1Å; Y83-S87 WeakPolarHBondContact O-CB 3.49Å; Y83-S87 PolarHBondContact O-N 2.96Å; S87-E89 PolarHBondContact O-N 3.08Å; S87-E89 VanDerWaalsContact OG-CB 3.27Å; S87-E89 WeakPolarHBondContact OG-CB 3.03Å; S87-E89 VanDerWaalsContact OG-CG 3.29Å; S87-E89 WeakPolarHBondContact OG-CG 3.23Å; S87-E89 PolarHBondContact OG-N 3.47Å; S87-E89 PolarHBondContact OG-OE2 3.32Å; S87-F90 PolarHBondContact O-N 3.28Å | ||
| 88 | D | 59.4 | Low | 65.1 | Low | 167 Ų | 167 | 90.7 Ų | 90.7 | 89% | 0.893 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -5.9 | 172.6 | -64.4 | -34.3 | 0 | 0 | 0 | 112.5 | N86 | N86-D88 PolarHBondContact O-N 3.13Š|
| 89 | E | 62.2 | Low | 67.2 | Low | 108 Ų | 108 | 88.8 Ų | 88.8 | 51% | 0.505 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -24.4 | 177.5 | -61.3 | 174 | 148.1 | 0 | 0 | 112.9 | Y83 S87 | Y83-E89 PolarHBondContact OH-OE2 2.79Å; S87-E89 PolarHBondContact O-N 3.08Å; S87-E89 VanDerWaalsContact OG-CB 3.27Å; S87-E89 WeakPolarHBondContact OG-CB 3.03Å; S87-E89 VanDerWaalsContact OG-CG 3.29Å; S87-E89 WeakPolarHBondContact OG-CG 3.23Å; S87-E89 PolarHBondContact OG-N 3.47Å; S87-E89 PolarHBondContact OG-OE2 3.32Å |
| 90 | F | 65.4 | Low | 69.3 | Low | 38 Ų | 38 | 85.3 Ų | 85.3 | 17% | 0.167 | 42% | 0.418 | C | S | . | . | trans | -113.4 | 125.5 | -176.2 | -55.9 | -73.7 | 0 | 0 | 0 | 112.3 | L84 S87 F534 | L84-F90 HydrophobicContact CD2-CE2 4.11Å; S87-F90 PolarHBondContact O-N 3.28Å; F90-F534 AromaticContact CE1-CE1 3.91Å; F90-F534 HydrophobicContact CE1-CE1 3.91Å; F90-F534 HydrophobicContact CE1-CE2 4.17Å; F90-F534 AromaticContact CE1-CZ 3.42Å; F90-F534 HydrophobicContact CE1-CZ 3.42Å; F90-F534 VanDerWaalsContact CE1-CZ 3.42Å; F90-F534 HydrophobicContact CE2-CE1 4.37Å; F90-F534 HydrophobicContact CE2-CZ 4.28Å; F90-F534 HydrophobicContact CZ-CD1 4.05Å; F90-F534 AromaticContact CZ-CE1 3.32Å; F90-F534 HydrophobicContact CZ-CE1 3.32Å; F90-F534 AromaticContact CZ-CE2 3.84Å; F90-F534 HydrophobicContact CZ-CE2 3.84Å; F90-F534 AromaticContact CZ-CZ 3.19Å; F90-F534 HydrophobicContact CZ-CZ 3.19Å | ||
| 91 | N | 68 | Low | 71.4 | Confident | 139 Ų | 139 | 82.8 Ų | 82.8 | 74% | 0.743 | 40% | 0.402 | S | S | * | . | trans | -96.6 | 92.2 | 167.9 | -73.7 | -22.8 | 0 | 0 | 0 | 109.3 | T93 | N91-T93 PolarHBondContact O-N 2.78Š| ||
| 92 | W | 74.1 | Confident | 73.2 | Confident | 173 Ų | 173 | 82.7 Ų | 82.7 | 66% | 0.655 | 40% | 0.401 | S | S | * | . | trans | -68.7 | 126.9 | 172.8 | -65.6 | 97.1 | 0 | 0 | 0 | 110.3 | L84 | L84-W92 HydrophobicContact CB-CZ2 4.48Å; L84-W92 PolarHBondContact O-NE1 3.45Å | ||
| 93 | T | 73.6 | Confident | 75.2 | Confident | 71 Ų | 71 | 88.7 Ų | 88.7 | 44% | 0.436 | 42% | 0.423 | S | S | . | . | trans | -112.1 | 163.3 | 176.7 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | N29 N91 | N29-T93 PolarHBondContact ND2-OG1 2.96Å; N91-T93 PolarHBondContact O-N 2.78Å | ||
| 94 | K | 79.8 | Confident | 77.2 | Confident | 178 Ų | 178 | 82.6 Ų | 82.6 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 146.3 | 168 | -168.6 | -179.1 | 176.2 | -176.7 | 0 | 109.5 | F25 | F25-K94 WeakPolarHBondContact CE1-O 3.32Š|
| 95 | F | 85 | Confident | 79 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 37% | 0.373 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 143.5 | 169.6 | -89.2 | -86.5 | 0 | 0 | 0 | 111.2 | F25 L53 L57 | F25-F95 AromaticContact CZ-CD1 3.89Å; F25-F95 HydrophobicContact CZ-CD1 3.89Å; F25-F95 HydrophobicContact CZ-CE1 4.13Å; F25-F95 HydrophobicContact CZ-CG 4.44Å; L53-F95 HydrophobicContact CD2-CE1 3.91Å; L57-F95 HydrophobicContact CD1-CB 4.12Å; L57-F95 HydrophobicContact CD1-CD1 3.54Å; L57-F95 HydrophobicContact CD1-CD2 3.8Å; L57-F95 HydrophobicContact CD1-CE1 3.84Å; L57-F95 HydrophobicContact CD1-CE2 4.06Å; L57-F95 HydrophobicContact CD1-CG 3.53Å; L57-F95 HydrophobicContact CD1-CZ 4.08Å; L57-F95 HydrophobicContact CD2-CD2 4.47Å; L57-F95 HydrophobicContact CD2-CE2 4.38Å |
| 96 | Y | 89.2 | Confident | 80.7 | Confident | 5 Ų | 5 | 83.2 Ų | 83.2 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 155.4 | -177.7 | 56.1 | -112.9 | 0 | 0 | 0 | 112.3 | L21 P24 F25 E28 I50 L54 S100 V101 | L21-Y96 WeakPolarHBondContact O-CE1 3.2Å; P24-Y96 HydrophobicContact CB-CD1 3.64Å; P24-Y96 HydrophobicContact CB-CD2 3.79Å; P24-Y96 HydrophobicContact CB-CE1 3.98Å; P24-Y96 HydrophobicContact CB-CE2 4.15Å; P24-Y96 HydrophobicContact CB-CG 3.54Å; P24-Y96 HydrophobicContact CG-CD1 4.19Å; P24-Y96 HydrophobicContact CG-CD2 4.21Å; P24-Y96 HydrophobicContact CG-CE1 4Å; P24-Y96 HydrophobicContact CG-CE2 4.05Å; P24-Y96 HydrophobicContact CG-CG 4.3Å; F25-Y96 AromaticContact CD1-CD1 3.85Å; F25-Y96 HydrophobicContact CD1-CD1 3.85Å; F25-Y96 AromaticContact CD2-CD1 3.56Å; F25-Y96 HydrophobicContact CD2-CD1 3.56Å; F25-Y96 AromaticContact CD2-CE1 3.68Å; F25-Y96 HydrophobicContact CD2-CE1 3.68Å; F25-Y96 AromaticContact CE1-CD1 3.72Å; F25-Y96 HydrophobicContact CE1-CD1 3.72Å; F25-Y96 HydrophobicContact CE1-CE1 4.44Å; F25-Y96 AromaticContact CE2-CD1 3.42Å; F25-Y96 HydrophobicContact CE2-CD1 3.42Å; F25-Y96 VanDerWaalsContact CE2-CD1 3.42Å; F25-Y96 AromaticContact CE2-CE1 3.35Å; F25-Y96 HydrophobicContact CE2-CE1 3.35Å; F25-Y96 AromaticContact CG-CD1 3.78Å; F25-Y96 HydrophobicContact CG-CD1 3.78Å; F25-Y96 HydrophobicContact CG-CE1 4.37Å; F25-Y96 AromaticContact CZ-CD1 3.5Å; F25-Y96 HydrophobicContact CZ-CD1 3.5Å; F25-Y96 AromaticContact CZ-CE1 3.78Å; F25-Y96 HydrophobicContact CZ-CE1 3.78Å; E28-Y96 WeakPolarHBondContact OE2-CA 3.44Å; E28-Y96 VanDerWaalsContact OE2-CB 3.25Å; E28-Y96 WeakPolarHBondContact OE2-CB 3.37Å; I50-Y96 WeakPolarHBondContact CG1-OH 3.39Å; I50-Y96 HydrophobicContact CG2-CE2 3.64Å; I50-Y96 WeakPolarHBondContact CG2-OH 2.97Å; L54-Y96 HydrophobicContact CD1-CD2 4.49Å; L54-Y96 HydrophobicContact CD1-CE2 4.11Å; L54-Y96 HydrophobicContact CD2-CD2 4.28Å; L54-Y96 HydrophobicContact CD2-CE2 4.03Å; L54-Y96 HydrophobicContact CG-CE2 4.24Å; Y96-S100 WeakPolarHBondContact CB-OG 3.44Å; Y96-V101 HydrophobicContact CD2-CG2 3.34Å; Y96-V101 HydrophobicContact CE2-CG2 3.27Å |
| 97 | T | 89 | Confident | 82.6 | Confident | 60 Ų | 60 | 82 Ų | 82 | 37% | 0.368 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 163.5 | -178.3 | 81.8 | 0 | 0 | 0 | 0 | 112.9 | E99 S100 V101 | T97-E99 WeakPolarHBondContact CB-OE2 3.39Å; T97-E99 PolarHBondContact O-N 2.92Å; T97-E99 PolarHBondContact OG1-N 3.45Å; T97-E99 PolarHBondContact OG1-OE2 3.15Å; T97-S100 PolarHBondContact N-OG 2.95Å; T97-S100 VanDerWaalsContact N-OG 3.15Å; T97-S100 WeakPolarHBondContact O-CB 3.18Å; T97-S100 PolarHBondContact O-N 3.07Å; T97-S100 VanDerWaalsContact O-N 3.11Å; T97-S100 PolarHBondContact O-OG 2.91Å; T97-S100 PolarHBondContact OG1-N 2.89Å; T97-V101 WeakPolarHBondContact O-CG2 3.48Å; T97-V101 PolarHBondContact O-N 2.94Å; T97-V101 VanDerWaalsContact O-N 3.15Å |
| 98 | R | 91.6 | Very high | 84.4 | Confident | 96 Ų | 96 | 82 Ų | 82 | 36% | 0.362 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.3 | -35 | 174.7 | -73.2 | -174.6 | 176.3 | 82.7 | 4.8 | 112.9 | L54 C55 D58 V101 I102 | L54-R98 HydrophobicContact CD1-CG 3.83Å; C55-R98 PolarHBondContact SG-NH2 3.49Å; D58-R98 IonicContact OD1-NH1 3.06Å; D58-R98 IonicContact OD2-CZ 3.97Å; D58-R98 IonicContact OD2-NH1 3.88Å; D58-R98 PolarHBondContact OD2-NH1 3.2Å; D58-R98 IonicContact OD2-NH2 3Å; D58-R98 PolarHBondContact OD2-NH2 3.01Å; R98-V101 WeakPolarHBondContact O-CB 3.5Å; R98-V101 PolarHBondContact O-N 3.4Å; R98-I102 WeakPolarHBondContact O-CG1 3.38Å; R98-I102 PolarHBondContact O-N 2.74Å; R98-I102 VanDerWaalsContact O-N 3.1Å |
| 99 | E | 91.1 | Very high | 86.2 | Confident | 120 Ų | 120 | 78.1 Ų | 78.1 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.8 | -38.8 | 177.4 | -58.9 | 72.4 | -155.9 | 0 | 0 | 111.4 | T97 V101 I102 K103 | T97-E99 WeakPolarHBondContact CB-OE2 3.39Å; T97-E99 PolarHBondContact O-N 2.92Å; T97-E99 PolarHBondContact OG1-N 3.45Å; T97-E99 PolarHBondContact OG1-OE2 3.15Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-I102 PolarHBondContact O-N 2.79Å; E99-K103 WeakPolarHBondContact O-CG 3.21Å; E99-K103 PolarHBondContact O-N 2.83Å |
| 100 | S | 91.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 77.1 Ų | 77.1 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 175.5 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | Y96 T97 K103 A104 | Y96-S100 WeakPolarHBondContact CB-OG 3.44Å; T97-S100 PolarHBondContact N-OG 2.95Å; T97-S100 VanDerWaalsContact N-OG 3.15Å; T97-S100 WeakPolarHBondContact O-CB 3.18Å; T97-S100 PolarHBondContact O-N 3.07Å; T97-S100 VanDerWaalsContact O-N 3.11Å; T97-S100 PolarHBondContact O-OG 2.91Å; T97-S100 PolarHBondContact OG1-N 2.89Å; S100-K103 PolarHBondContact O-N 3.17Å; S100-A104 VanDerWaalsContact O-CB 3.31Å; S100-A104 WeakPolarHBondContact O-CB 3.39Å; S100-A104 PolarHBondContact O-N 3.34Å |
| 101 | V | 94 | Very high | 89.3 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 176 | 177.1 | 0 | 0 | 0 | 0 | 110 | P24 I50 L54 Y96 T97 R98 E99 K103 A104 L105 | P24-V101 HydrophobicContact CB-CG2 4.24Å; P24-V101 HydrophobicContact CG-CG2 4.04Å; I50-V101 HydrophobicContact CD1-CG1 4.23Å; I50-V101 HydrophobicContact CG2-CB 4.37Å; I50-V101 HydrophobicContact CG2-CG1 3.81Å; I50-V101 HydrophobicContact CG2-CG2 3.61Å; L54-V101 HydrophobicContact CD1-CG2 4.03Å; Y96-V101 HydrophobicContact CD2-CG2 3.34Å; Y96-V101 HydrophobicContact CE2-CG2 3.27Å; T97-V101 WeakPolarHBondContact O-CG2 3.48Å; T97-V101 PolarHBondContact O-N 2.94Å; T97-V101 VanDerWaalsContact O-N 3.15Å; R98-V101 WeakPolarHBondContact O-CB 3.5Å; R98-V101 PolarHBondContact O-N 3.4Å; E99-V101 VanDerWaalsContact C-N 3.31Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.01Å; V101-A104 PolarHBondContact O-N 2.93Å; V101-L105 HydrophobicContact CG1-CD1 3.75Å; V101-L105 HydrophobicContact CG1-CG 4.1Å; V101-L105 WeakPolarHBondContact O-CB 3.04Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 2.8Å |
| 102 | I | 94 | Very high | 90.7 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57 | -49.5 | 179 | -66.2 | 165.3 | 0 | 0 | 0 | 110 | R98 E99 A104 L105 D106 | R98-I102 WeakPolarHBondContact O-CG1 3.38Å; R98-I102 PolarHBondContact O-N 2.74Å; R98-I102 VanDerWaalsContact O-N 3.1Å; E99-I102 PolarHBondContact O-N 2.79Å; I102-A104 VanDerWaalsContact C-N 3.34Å; I102-A104 PolarHBondContact O-N 2.9Å; I102-L105 PolarHBondContact O-N 3.31Å; I102-D106 WeakPolarHBondContact CG2-OD2 3.29Å; I102-D106 WeakPolarHBondContact O-CB 3.39Å; I102-D106 PolarHBondContact O-N 3.16Å |
| 103 | K | 91.9 | Very high | 91.8 | Very high | 143 Ų | 143 | 64.7 Ų | 64.7 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.4 | -41.4 | 177.1 | -71.2 | 175.8 | -178.3 | 179.5 | 0 | 113 | E99 S100 V101 N107 | E99-K103 WeakPolarHBondContact O-CG 3.21Å; E99-K103 PolarHBondContact O-N 2.83Å; S100-K103 PolarHBondContact O-N 3.17Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.01Å; K103-N107 PolarHBondContact O-N 2.65Å; K103-N107 PolarHBondContact O-ND2 3.2Å |
| 104 | A | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L23 P24 F27 S100 V101 I102 I108 | L23-A104 HydrophobicContact CG-CB 4.49Å; P24-A104 HydrophobicContact CB-CB 4.25Å; P24-A104 HydrophobicContact CG-CB 4.27Å; F27-A104 HydrophobicContact CB-CB 4.36Å; F27-A104 HydrophobicContact CD2-CB 3.62Å; F27-A104 HydrophobicContact CE2-CB 4.12Å; F27-A104 HydrophobicContact CG-CB 4.09Å; S100-A104 VanDerWaalsContact O-CB 3.31Å; S100-A104 WeakPolarHBondContact O-CB 3.39Å; S100-A104 PolarHBondContact O-N 3.34Å; V101-A104 PolarHBondContact O-N 2.93Å; I102-A104 VanDerWaalsContact C-N 3.34Å; I102-A104 PolarHBondContact O-N 2.9Å; A104-I108 WeakPolarHBondContact O-CG1 3.32Å |
| 105 | L | 95.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.5 | -36.4 | -179.8 | -62.6 | -177.4 | 0 | 0 | 0 | 112.5 | I20 V43 K47 V101 I102 N107 I108 | I20-L105 HydrophobicContact CG2-CD2 3.94Å; V43-L105 HydrophobicContact CG1-CD2 4.28Å; K47-L105 HydrophobicContact CB-CD1 3.81Å; K47-L105 HydrophobicContact CD-CD1 4.1Å; K47-L105 HydrophobicContact CG-CD1 3.97Å; V101-L105 HydrophobicContact CG1-CD1 3.75Å; V101-L105 HydrophobicContact CG1-CG 4.1Å; V101-L105 WeakPolarHBondContact O-CB 3.04Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 2.8Å; I102-L105 PolarHBondContact O-N 3.31Å; L105-N107 PolarHBondContact O-N 3.07Å; L105-I108 HydrophobicContact CD2-CD1 3.8Å; L105-I108 WeakPolarHBondContact O-CB 3.44Å; L105-I108 WeakPolarHBondContact O-CG1 3.42Å; L105-I108 PolarHBondContact O-N 3.33Å |
| 106 | D | 94 | Very high | 94.2 | Very high | 124 Ų | 124 | 60.8 Ų | 60.8 | 66% | 0.663 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.8 | -23.1 | 178 | -72.2 | -13.3 | 0 | 0 | 0 | 112.7 | I102 I108 | I102-D106 WeakPolarHBondContact CG2-OD2 3.29Å; I102-D106 WeakPolarHBondContact O-CB 3.39Å; I102-D106 PolarHBondContact O-N 3.16Å; D106-I108 VanDerWaalsContact C-N 3.31Å |
| 107 | N | 92.7 | Very high | 94.5 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -2.4 | 176.4 | -76.6 | -46.9 | 0 | 0 | 0 | 113.8 | F27 K103 L105 H109 | F27-N107 HydrophobicContact CE1-CB 3.93Å; F27-N107 VanDerWaalsContact CE1-ND2 3.34Å; F27-N107 WeakPolarHBondContact CE1-ND2 3.32Å; F27-N107 HydrophobicContact CZ-CB 3.76Å; K103-N107 PolarHBondContact O-N 2.65Å; K103-N107 PolarHBondContact O-ND2 3.2Å; L105-N107 PolarHBondContact O-N 3.07Å; N107-H109 PolarHBondContact O-ND1 2.97Å |
| 108 | I | 96.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126.4 | 179.8 | -55.4 | 176.6 | 0 | 0 | 0 | 110 | L23 V36 A38 V43 A104 L105 D106 L110 | L23-I108 HydrophobicContact CD2-CD1 3.61Å; L23-I108 HydrophobicContact CD2-CG1 3.97Å; V36-I108 HydrophobicContact CB-CG1 4.18Å; V36-I108 HydrophobicContact CG1-CG1 3.99Å; V36-I108 HydrophobicContact CG1-CG2 4.39Å; A38-I108 HydrophobicContact CB-CG2 3.66Å; V43-I108 HydrophobicContact CG1-CD1 4.29Å; V43-I108 HydrophobicContact CG2-CB 4.46Å; V43-I108 HydrophobicContact CG2-CD1 3.89Å; V43-I108 HydrophobicContact CG2-CG2 3.88Å; A104-I108 WeakPolarHBondContact O-CG1 3.32Å; L105-I108 HydrophobicContact CD2-CD1 3.8Å; L105-I108 WeakPolarHBondContact O-CB 3.44Å; L105-I108 WeakPolarHBondContact O-CG1 3.42Å; L105-I108 PolarHBondContact O-N 3.33Å; D106-I108 VanDerWaalsContact C-N 3.31Å; I108-L110 HydrophobicContact CG2-CD2 4.41Å |
| 109 | H | 96.8 | Very high | 94.7 | Very high | 86 Ų | 86 | 59.7 Ų | 59.7 | 40% | 0.398 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.7 | 169.2 | -65.2 | 65 | 0 | 0 | 0 | 108.6 | V36 F37 A38 N107 | V36-H109 PolarHBondContact O-N 3.11Å; F37-H109 WeakPolarHBondContact CA-O 3.36Å; F37-H109 HydrophobicContact CD1-CB 3.56Å; F37-H109 HydrophobicContact CE1-CB 3.66Å; F37-H109 HydrophobicContact CG-CB 4.44Å; A38-H109 PolarHBondContact N-O 2.99Å; A38-H109 VanDerWaalsContact N-O 3.16Å; N107-H109 PolarHBondContact O-ND1 2.97Å |
| 110 | L | 97.7 | Very high | 94.5 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134 | -180 | -55.6 | -178.1 | 0 | 0 | 0 | 109.9 | A38 E40 V43 I108 | A38-L110 CarbonylContact O-C 3.59Å; A38-L110 VanDerWaalsContact O-CA 3.32Å; A38-L110 WeakPolarHBondContact O-CA 3.16Å; E40-L110 HydrophobicContact CB-CD1 4.17Å; E40-L110 HydrophobicContact CB-CD2 4.42Å; E40-L110 HydrophobicContact CG-CD1 4Å; V43-L110 HydrophobicContact CB-CD2 4.38Å; V43-L110 HydrophobicContact CG2-CD2 3.85Å; I108-L110 HydrophobicContact CG2-CD2 4.41Å |
| 111 | V | 97 | Very high | 94 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | trans | -129.5 | 132.4 | -179 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | F37 A38 T39 E115 V117 | F37-V111 HydrophobicContact CB-CG2 4.04Å; F37-V111 HydrophobicContact CD1-CG2 3.61Å; F37-V111 HydrophobicContact CG-CG2 4.27Å; A38-V111 PolarHBondContact O-N 3.5Å; T39-V111 WeakPolarHBondContact CA-O 3.42Å; T39-V111 WeakPolarHBondContact CG2-O 3.37Å; V111-E115 HydrophobicContact CG1-CB 3.89Å; V111-E115 HydrophobicContact CG1-CG 4.33Å; V111-V117 HydrophobicContact CG1-CG2 3.87Å; V111-V117 HydrophobicContact CG2-CG2 3.99Å | ||
| 112 | A | 97.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | trans | -80.2 | 163.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H114 E115 | A112-H114 PolarHBondContact O-N 2.79Å; A112-E115 HydrophobicContact CB-CB 4.28Å; A112-E115 PolarHBondContact N-OE2 3.2Å; A112-E115 WeakPolarHBondContact O-CB 3.33Å; A112-E115 PolarHBondContact O-N 2.85Å | ||
| 113 | Y | 96.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 67.7 Ų | 67.7 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -58.5 | 143 | 169.3 | -66.1 | -39.8 | 0 | 0 | 0 | 110.9 | T39 E115 G127 G135 S136 C137 L162 W352 | T39-Y113 HydrophobicContact CG2-CD1 4.32Å; T39-Y113 HydrophobicContact CG2-CE1 4.11Å; Y113-E115 PolarHBondContact O-N 2.98Å; Y113-G127 CarbonylContact C-O 3.5Å; Y113-G127 WeakPolarHBondContact CA-O 3.45Å; Y113-G135 WeakPolarHBondContact OH-CA 3.47Å; Y113-S136 PolarHBondContact OH-N 3.22Å; Y113-S136 PolarHBondContact OH-O 2.83Å; Y113-S136 VanDerWaalsContact OH-O 3.13Å; Y113-C137 HydrophobicContact CD1-CB 4.36Å; Y113-C137 HydrophobicContact CE1-CB 3.88Å; Y113-L162 HydrophobicContact CD2-CD2 3.79Å; Y113-L162 HydrophobicContact CE2-CD2 3.67Å; Y113-W352 AromaticContact CD1-CZ3 3.81Å; Y113-W352 HydrophobicContact CD1-CZ3 3.81Å; Y113-W352 AromaticContact CD2-CE3 3.7Å; Y113-W352 HydrophobicContact CD2-CE3 3.7Å; Y113-W352 AromaticContact CD2-CZ3 3.61Å; Y113-W352 HydrophobicContact CD2-CZ3 3.61Å; Y113-W352 HydrophobicContact CE1-CE3 4.09Å; Y113-W352 AromaticContact CE1-CZ3 3.59Å; Y113-W352 HydrophobicContact CE1-CZ3 3.59Å; Y113-W352 HydrophobicContact CE2-CD2 4.26Å; Y113-W352 AromaticContact CE2-CE3 3.17Å; Y113-W352 HydrophobicContact CE2-CE3 3.17Å; Y113-W352 AromaticContact CE2-CZ3 3.42Å; Y113-W352 HydrophobicContact CE2-CZ3 3.42Å; Y113-W352 VanDerWaalsContact CE2-CZ3 3.42Å; Y113-W352 HydrophobicContact CG-CE3 4.37Å; Y113-W352 AromaticContact CG-CZ3 3.81Å; Y113-W352 HydrophobicContact CG-CZ3 3.81Å; Y113-W352 AromaticContact CZ-CE3 3.39Å; Y113-W352 AromaticContact CZ-CZ3 3.4Å |
| 114 | H | 96.2 | Very high | 93.6 | Very high | 89 Ų | 89 | 62.7 Ų | 62.7 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -0.4 | -176.4 | -58.4 | -82.4 | 0 | 0 | 0 | 117 | A112 P116 G127 L128 D165 | A112-H114 PolarHBondContact O-N 2.79Å; H114-P116 WeakPolarHBondContact O-CD 3.47Å; H114-G127 PolarHBondContact N-O 2.96Å; H114-L128 WeakPolarHBondContact ND1-CD2 3.49Å; H114-D165 IonicContact CE1-OD2 3.62Å; H114-D165 PolarHBondContact CE1-OD2 2.99Å; H114-D165 IonicContact ND1-OD2 3.35Å; H114-D165 IonicContact NE2-OD2 3.61Å; H114-D165 PolarHBondContact NE2-OD2 3Å; H114-D165 VanDerWaalsContact NE2-OD2 3.12Å |
| 115 | E | 96.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | trans | -66 | 115.8 | 177.2 | -175.6 | -179.6 | 171.2 | 0 | 0 | 110 | V111 A112 Y113 V117 | V111-E115 HydrophobicContact CG1-CB 3.89Å; V111-E115 HydrophobicContact CG1-CG 4.33Å; A112-E115 HydrophobicContact CB-CB 4.28Å; A112-E115 PolarHBondContact N-OE2 3.2Å; A112-E115 WeakPolarHBondContact O-CB 3.33Å; A112-E115 PolarHBondContact O-N 2.85Å; Y113-E115 PolarHBondContact O-N 2.98Å; E115-V117 HydrophobicContact CG-CG2 4.42Å; E115-V117 PolarHBondContact O-N 3.28Å | ||
| 116 | P | 95.9 | Very high | 93.8 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | trans | -73.4 | 118.5 | 172.5 | 27.1 | -27.7 | 0 | 0 | 0 | 109.8 | H114 T124 K126 | H114-P116 WeakPolarHBondContact O-CD 3.47Å; P116-T124 HydrophobicContact CB-CG2 3.76Å; P116-K126 HydrophobicContact CB-CG 4.36Å | ||
| 117 | V | 96.4 | Very high | 94 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 14% | 0.139 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.4 | 170.5 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | F37 V111 E115 L119 T124 I125 | F37-V117 HydrophobicContact CD1-CG1 4.43Å; F37-V117 HydrophobicContact CE1-CG1 3.74Å; F37-V117 HydrophobicContact CZ-CG1 4.04Å; V111-V117 HydrophobicContact CG1-CG2 3.87Å; V111-V117 HydrophobicContact CG2-CG2 3.99Å; E115-V117 HydrophobicContact CG-CG2 4.42Å; E115-V117 PolarHBondContact O-N 3.28Å; V117-L119 HydrophobicContact CG1-CD2 4.21Å; V117-T124 WeakPolarHBondContact O-CA 3.46Å; V117-I125 HydrophobicContact CB-CD1 4.14Å; V117-I125 HydrophobicContact CB-CG1 3.67Å; V117-I125 HydrophobicContact CG1-CD1 4.44Å; V117-I125 HydrophobicContact CG1-CG1 4.35Å; V117-I125 HydrophobicContact CG2-CG1 4.48Å; V117-I125 PolarHBondContact N-O 2.86Å; V117-I125 PolarHBondContact O-N 3.31Å |
| 118 | D | 93.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 55.6 Ų | 55.6 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.5 | 173.6 | -176.6 | 72.7 | 0 | 0 | 0 | 110.5 | G121 | D118-G121 WeakPolarHBondContact OD1-CA 2.98Å; D118-G121 VanDerWaalsContact OD2-CA 3.28Å; D118-G121 WeakPolarHBondContact OD2-CA 3.36Å; D118-G121 PolarHBondContact OD2-N 2.92Å |
| 119 | L | 91 | Very high | 94.2 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 100.5 | 175.1 | -57.6 | -176.1 | 0 | 0 | 0 | 108.4 | V11 F37 V117 G121 L122 L123 I125 | V11-L119 HydrophobicContact CG1-CD1 4.4Å; V11-L119 HydrophobicContact CG2-CD1 4.17Å; V11-L119 HydrophobicContact CG2-CD2 4.17Å; F37-L119 HydrophobicContact CE2-CD2 3.72Å; F37-L119 HydrophobicContact CZ-CD2 3.84Å; V117-L119 HydrophobicContact CG1-CD2 4.21Å; L119-G121 PolarHBondContact O-N 3.18Å; L119-G121 VanDerWaalsContact O-N 3.12Å; L119-L122 PolarHBondContact O-N 2.82Å; L119-L122 VanDerWaalsContact O-N 3.07Å; L119-L123 HydrophobicContact CB-CB 4.21Å; L119-L123 PolarHBondContact N-O 3.4Å; L119-L123 PolarHBondContact O-N 3.12Å; L119-I125 HydrophobicContact CD1-CD1 4.27Å; L119-I125 HydrophobicContact CD1-CG1 4.37Å; L119-I125 HydrophobicContact CD1-CG2 3.46Å; L119-I125 VanDerWaalsContact CD1-CG2 3.46Å; L119-I125 HydrophobicContact CD2-CD1 4.17Å; L119-I125 HydrophobicContact CD2-CG1 4.47Å; L119-I125 HydrophobicContact CG-CD1 4.41Å; L119-I125 HydrophobicContact CG-CG1 4.32Å; L119-I125 HydrophobicContact CG-CG2 4.14Å |
| 120 | F | 86.5 | Confident | 94.1 | Very high | 132 Ų | 132 | 51 Ų | 51 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.1 | 172.4 | -43.6 | -70 | 0 | 0 | 0 | 114.8 | D10 V11 L122 | D10-F120 HydrophobicContact CB-CE2 3.84Å; D10-F120 HydrophobicContact CB-CZ 3.97Å; V11-F120 HydrophobicContact CG2-CE2 4.18Å; F120-L122 PolarHBondContact O-N 2.99Å |
| 121 | G | 80.7 | Confident | 93.9 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 9.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | D118 L119 | D118-G121 WeakPolarHBondContact OD1-CA 2.98Å; D118-G121 VanDerWaalsContact OD2-CA 3.28Å; D118-G121 WeakPolarHBondContact OD2-CA 3.36Å; D118-G121 PolarHBondContact OD2-N 2.92Å; L119-G121 PolarHBondContact O-N 3.18Å; L119-G121 VanDerWaalsContact O-N 3.12Å |
| 122 | L | 84.2 | Confident | 93.7 | Very high | 129 Ų | 129 | 48.2 Ų | 48.2 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -36.6 | -174.6 | -64 | 177 | 0 | 0 | 0 | 112.5 | L119 F120 | L119-L122 PolarHBondContact O-N 2.82Å; L119-L122 VanDerWaalsContact O-N 3.07Å; F120-L122 PolarHBondContact O-N 2.99Å |
| 123 | L | 91.9 | Very high | 93.5 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.4 | -176.7 | -56.7 | 171 | 0 | 0 | 0 | 109.2 | L119 I141 T142 | L119-L123 HydrophobicContact CB-CB 4.21Å; L119-L123 PolarHBondContact N-O 3.4Å; L119-L123 PolarHBondContact O-N 3.12Å; L123-I141 HydrophobicContact CB-CG2 4.46Å; L123-I141 HydrophobicContact CD1-CG2 4.39Å; L123-I141 HydrophobicContact CD2-CG2 4.44Å; L123-T142 CarbonylContact C-O 3.51Å; L123-T142 WeakPolarHBondContact CA-O 3.29Å |
| 124 | T | 95.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 45 Ų | 45 | 23% | 0.233 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132 | 166.8 | -57.2 | 0 | 0 | 0 | 0 | 108.6 | P116 V117 T142 | P116-T124 HydrophobicContact CB-CG2 3.76Å; V117-T124 WeakPolarHBondContact O-CA 3.46Å; T124-T142 PolarHBondContact N-O 2.73Å; T124-T142 PolarHBondContact O-N 2.88Å; T124-T142 PolarHBondContact O-OG1 2.92Å |
| 125 | I | 97 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 146.4 | 172.7 | 63.2 | 173 | 0 | 0 | 0 | 110.6 | L13 F37 V117 L119 W139 I140 I141 | L13-I125 HydrophobicContact CD1-CG2 4.39Å; L13-I125 HydrophobicContact CD2-CD1 3.54Å; F37-I125 HydrophobicContact CB-CD1 4.31Å; F37-I125 HydrophobicContact CD1-CD1 4.42Å; F37-I125 HydrophobicContact CD2-CD1 3.91Å; F37-I125 HydrophobicContact CE2-CD1 4.32Å; F37-I125 HydrophobicContact CG-CD1 3.96Å; V117-I125 HydrophobicContact CB-CD1 4.14Å; V117-I125 HydrophobicContact CB-CG1 3.67Å; V117-I125 HydrophobicContact CG1-CD1 4.44Å; V117-I125 HydrophobicContact CG1-CG1 4.35Å; V117-I125 HydrophobicContact CG2-CG1 4.48Å; V117-I125 PolarHBondContact N-O 2.86Å; V117-I125 PolarHBondContact O-N 3.31Å; L119-I125 HydrophobicContact CD1-CD1 4.27Å; L119-I125 HydrophobicContact CD1-CG1 4.37Å; L119-I125 HydrophobicContact CD1-CG2 3.46Å; L119-I125 VanDerWaalsContact CD1-CG2 3.46Å; L119-I125 HydrophobicContact CD2-CD1 4.17Å; L119-I125 HydrophobicContact CD2-CG1 4.47Å; L119-I125 HydrophobicContact CG-CD1 4.41Å; L119-I125 HydrophobicContact CG-CG1 4.32Å; L119-I125 HydrophobicContact CG-CG2 4.14Å; I125-W139 HydrophobicContact CD1-CZ3 4.24Å; I125-I140 CarbonylContact C-O 3.57Å; I125-I140 VanDerWaalsContact CA-O 3.3Å; I125-I140 WeakPolarHBondContact CA-O 3.39Å; I125-I141 HydrophobicContact CG2-CG1 4.17Å; I125-I141 HydrophobicContact CG2-CG2 4.34Å |
| 126 | K | 96.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135.2 | 172.2 | -70.1 | -179.5 | 177.7 | 177.6 | 0 | 109.9 | P116 I140 | P116-K126 HydrophobicContact CB-CG 4.36Å; K126-I140 PolarHBondContact N-O 3.11Å; K126-I140 PolarHBondContact O-N 2.94Å |
| 127 | G | 97 | Very high | 93.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y113 H114 | Y113-G127 CarbonylContact C-O 3.5Å; Y113-G127 WeakPolarHBondContact CA-O 3.45Å; H114-G127 PolarHBondContact N-O 2.96Å |
| 128 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 153.9 | 174.3 | -51.6 | 170.7 | 0 | 0 | 0 | 109.8 | H114 A130 C137 N138 I140 D165 T168 F169 | H114-L128 WeakPolarHBondContact ND1-CD2 3.49Å; L128-A130 PolarHBondContact O-N 2.9Å; L128-C137 CarbonylContact O-C 3.57Å; L128-C137 WeakPolarHBondContact O-CA 3.19Å; L128-C137 VanDerWaalsContact O-CB 3.25Å; L128-C137 WeakPolarHBondContact O-CB 3.23Å; L128-N138 PolarHBondContact N-O 3.16Å; L128-N138 PolarHBondContact O-N 3.48Å; L128-I140 HydrophobicContact CD1-CD1 4.03Å; L128-I140 HydrophobicContact CD1-CG1 3.59Å; L128-I140 HydrophobicContact CG-CG1 4.14Å; L128-D165 HydrophobicContact CB-CB 4.44Å; L128-D165 WeakPolarHBondContact CD2-OD2 3.24Å; L128-T168 WeakPolarHBondContact CD1-OG1 3.44Å; L128-T168 HydrophobicContact CD2-CG2 4.35Å; L128-T168 WeakPolarHBondContact CD2-OG1 3.41Å; L128-F169 HydrophobicContact CD1-CD2 3.85Å; L128-F169 HydrophobicContact CD1-CE2 3.41Å; L128-F169 VanDerWaalsContact CD1-CE2 3.41Å; L128-F169 HydrophobicContact CD1-CZ 4.23Å |
| 129 | S | 97 | Very high | 93.7 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 130.8 | 179 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | L162 P163 D165 | S129-L162 PolarHBondContact OG-O 2.79Å; S129-P163 VanDerWaalsContact CB-O 3.22Å; S129-P163 WeakPolarHBondContact CB-O 3.38Å; S129-P163 PolarHBondContact OG-O 3.23Å; S129-D165 PolarHBondContact O-N 3.08Å |
| 130 | A | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | trans | -91.6 | -6.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L128 Y132 S136 H153 T154 S155 | L128-A130 PolarHBondContact O-N 2.9Å; A130-Y132 PolarHBondContact O-N 3.06Å; A130-S136 WeakPolarHBondContact CB-O 3.14Å; A130-S136 PolarHBondContact N-O 3.35Å; A130-H153 WeakPolarHBondContact CB-O 3.28Å; A130-T154 VanDerWaalsContact O-CA 3.28Å; A130-T154 WeakPolarHBondContact O-CA 3.5Å; A130-T154 WeakPolarHBondContact O-CG2 3.27Å; A130-S155 PolarHBondContact O-N 3.26Å | ||
| 131 | G | 93.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 67.9 | -0.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S155 V161 L162 | G131-S155 VanDerWaalsContact O-CB 3.24Å; G131-S155 WeakPolarHBondContact O-CB 3.1Å; G131-V161 VanDerWaalsContact C-CG2 3.43Å; G131-V161 WeakPolarHBondContact O-CG2 3.47Å; G131-L162 WeakPolarHBondContact CA-O 3.3Å |
| 132 | Y | 92.2 | Very high | 95.1 | Very high | 35 Ų | 35 | 22.1 Ų | 22.1 | 14% | 0.137 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -90.8 | -44 | -171.4 | 170.2 | -109.3 | 0 | 0 | 0 | 114.5 | R18 A130 H153 A591 R592 | R18-Y132 VanDerWaalsContact CZ-OH 3.23Å; R18-Y132 PolarHBondContact NH1-OH 3.41Å; R18-Y132 VanDerWaalsContact NH1-OH 3.16Å; R18-Y132 PolarHBondContact NH2-OH 3.41Å; A130-Y132 PolarHBondContact O-N 3.06Å; Y132-H153 WeakPolarHBondContact CB-O 3.44Å; Y132-H153 HydrophobicContact CD1-CB 3.48Å; Y132-H153 VanDerWaalsContact CD1-CB 3.48Å; Y132-H153 HydrophobicContact CD2-CB 4.28Å; Y132-H153 HydrophobicContact CE1-CB 3.69Å; Y132-H153 AromaticContact CE1-CD2 3.97Å; Y132-H153 HydrophobicContact CE2-CB 4.47Å; Y132-H153 HydrophobicContact CG-CB 3.8Å; Y132-H153 AromaticContact CZ-CD2 3.97Å; Y132-A591 HydrophobicContact CD2-CB 4.32Å; Y132-R592 HydrophobicContact CD2-CG 3.94Å; Y132-R592 HydrophobicContact CE2-CG 3.54Å |
| 133 | G | 92.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 8% | 0.082 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -154.2 | 157.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G135 S136 | G133-G135 PolarHBondContact O-N 3.33Å; G133-G135 VanDerWaalsContact O-N 3.12Å; G133-S136 VanDerWaalsContact O-CB 3.29Å; G133-S136 WeakPolarHBondContact O-CB 3.34Å; G133-S136 PolarHBondContact O-N 2.88Å; G133-S136 PolarHBondContact O-OG 2.78Å |
| 134 | I | 95.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 120.5 | -179 | -53.9 | 175.2 | 0 | 0 | 0 | 109.4 | P41 F45 S136 V161 F220 W352 L353 | P41-I134 HydrophobicContact CB-CG2 3.87Å; P41-I134 HydrophobicContact CG-CG2 4.33Å; F45-I134 HydrophobicContact CD2-CB 4.39Å; F45-I134 HydrophobicContact CE2-CB 3.85Å; F45-I134 HydrophobicContact CE2-CD1 3.98Å; F45-I134 HydrophobicContact CE2-CG1 4.46Å; F45-I134 HydrophobicContact CE2-CG2 4Å; F45-I134 HydrophobicContact CZ-CD1 3.98Å; I134-S136 VanDerWaalsContact C-N 3.31Å; I134-S136 PolarHBondContact O-N 3.1Å; I134-V161 HydrophobicContact CG1-CG1 3.88Å; I134-F220 HydrophobicContact CD1-CD2 4.19Å; I134-F220 HydrophobicContact CD1-CE2 4.01Å; I134-W352 HydrophobicContact CG2-CB 3.76Å; I134-L353 HydrophobicContact CD1-CD2 3.92Å; I134-L353 HydrophobicContact CG1-CD2 4.07Å |
| 135 | G | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -6.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | T39 V42 Y113 G133 C137 | T39-G135 WeakPolarHBondContact CB-O 3.46Å; T39-G135 WeakPolarHBondContact CG2-O 3.34Å; T39-G135 PolarHBondContact OG1-O 2.95Å; V42-G135 VanDerWaalsContact CG2-C 3.42Å; V42-G135 VanDerWaalsContact CG2-O 3.24Å; V42-G135 WeakPolarHBondContact CG2-O 3.37Å; Y113-G135 WeakPolarHBondContact OH-CA 3.47Å; G133-G135 PolarHBondContact O-N 3.33Å; G133-G135 VanDerWaalsContact O-N 3.12Å; G135-C137 PolarHBondContact O-N 3.23Å |
| 136 | S | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -64.9 | 132.3 | -178.5 | -62 | 0 | 0 | 0 | 0 | 110.9 | S15 Y113 A130 G133 I134 | S15-S136 CarbonylContact O-C 3.6Å; S15-S136 VanDerWaalsContact O-CA 3.29Å; S15-S136 WeakPolarHBondContact O-CA 3.35Å; Y113-S136 PolarHBondContact OH-N 3.22Å; Y113-S136 PolarHBondContact OH-O 2.83Å; Y113-S136 VanDerWaalsContact OH-O 3.13Å; A130-S136 WeakPolarHBondContact CB-O 3.14Å; A130-S136 PolarHBondContact N-O 3.35Å; G133-S136 VanDerWaalsContact O-CB 3.29Å; G133-S136 WeakPolarHBondContact O-CB 3.34Å; G133-S136 PolarHBondContact O-N 2.88Å; G133-S136 PolarHBondContact O-OG 2.78Å; I134-S136 VanDerWaalsContact C-N 3.31Å; I134-S136 PolarHBondContact O-N 3.1Å | ||
| 137 | C | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151 | -174.1 | 70.7 | 0 | 0 | 0 | 0 | 114.9 | S15 T39 Y113 L128 G135 W139 | S15-C137 WeakPolarHBondContact CA-O 3.33Å; S15-C137 WeakPolarHBondContact CB-O 3.4Å; S15-C137 PolarHBondContact O-N 2.91Å; S15-C137 PolarHBondContact OG-O 3.37Å; T39-C137 HydrophobicContact CG2-CB 4.25Å; Y113-C137 HydrophobicContact CD1-CB 4.36Å; Y113-C137 HydrophobicContact CE1-CB 3.88Å; L128-C137 CarbonylContact O-C 3.57Å; L128-C137 WeakPolarHBondContact O-CA 3.19Å; L128-C137 VanDerWaalsContact O-CB 3.25Å; L128-C137 WeakPolarHBondContact O-CB 3.23Å; G135-C137 PolarHBondContact O-N 3.23Å; C137-W139 VanDerWaalsContact SG-CZ2 3.55Å |
| 138 | N | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.7 | 164.2 | -66.5 | -38.6 | 0 | 0 | 0 | 108.9 | L128 Y150 I151 S152 T154 F164 F169 | L128-N138 PolarHBondContact N-O 3.16Å; L128-N138 PolarHBondContact O-N 3.48Å; N138-Y150 WeakPolarHBondContact CA-O 3.23Å; N138-I151 WeakPolarHBondContact OD1-CA 3.5Å; N138-S152 PolarHBondContact OD1-N 3.3Å; N138-T154 PolarHBondContact ND2-OG1 3.27Å; N138-T154 PolarHBondContact OD1-OG1 3.49Å; N138-F164 WeakPolarHBondContact ND2-CE2 3.4Å; N138-F169 HydrophobicContact CB-CZ 4.14Å |
| 139 | W | 97.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.2 | -173.3 | -67.2 | 104.1 | 0 | 0 | 0 | 110.8 | L13 V14 S15 F37 I125 C137 Y150 | L13-W139 HydrophobicContact CB-CD2 4.09Å; L13-W139 HydrophobicContact CB-CG 4.11Å; L13-W139 HydrophobicContact CB-CZ2 4.39Å; L13-W139 HydrophobicContact CD1-CB 4.06Å; L13-W139 HydrophobicContact CD1-CD2 4.07Å; L13-W139 HydrophobicContact CD1-CE3 4.39Å; L13-W139 HydrophobicContact CD1-CG 3.92Å; L13-W139 HydrophobicContact CD2-CD2 4.4Å; L13-W139 HydrophobicContact CD2-CE3 4.37Å; L13-W139 HydrophobicContact CD2-CZ3 4.45Å; L13-W139 HydrophobicContact CG-CD2 4.42Å; V14-W139 WeakPolarHBondContact O-CZ2 3.35Å; V14-W139 PolarHBondContact O-NE1 3.37Å; S15-W139 PolarHBondContact OG-NE1 3.26Å; F37-W139 HydrophobicContact CB-CH2 4.12Å; I125-W139 HydrophobicContact CD1-CZ3 4.24Å; C137-W139 VanDerWaalsContact SG-CZ2 3.55Å; W139-Y150 PolarHBondContact N-O 3.15Å; W139-Y150 VanDerWaalsContact N-O 3.07Å; W139-Y150 PolarHBondContact O-N 3.07Å |
| 140 | I | 97.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.4 | 168.4 | -53.6 | -58 | 0 | 0 | 0 | 108.1 | I125 K126 L128 T142 K147 A149 F169 | I125-I140 CarbonylContact C-O 3.57Å; I125-I140 VanDerWaalsContact CA-O 3.3Å; I125-I140 WeakPolarHBondContact CA-O 3.39Å; K126-I140 PolarHBondContact N-O 3.11Å; K126-I140 PolarHBondContact O-N 2.94Å; L128-I140 HydrophobicContact CD1-CD1 4.03Å; L128-I140 HydrophobicContact CD1-CG1 3.59Å; L128-I140 HydrophobicContact CG-CG1 4.14Å; I140-T142 HydrophobicContact CG2-CG2 4.04Å; I140-K147 HydrophobicContact CG2-CG 4.11Å; I140-A149 HydrophobicContact CD1-CB 3.42Å; I140-A149 VanDerWaalsContact CD1-CB 3.42Å; I140-F169 HydrophobicContact CD1-CD1 4.3Å; I140-F169 HydrophobicContact CD1-CE1 4.03Å; I140-F169 HydrophobicContact CD1-CE2 4.34Å; I140-F169 HydrophobicContact CD1-CZ 4.06Å |
| 141 | I | 96.1 | Very high | 93.3 | Very high | 50 Ų | 50 | 23.6 Ų | 23.6 | 26% | 0.256 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.4 | 179.1 | -50.4 | 174.1 | 0 | 0 | 0 | 107.2 | L13 L123 I125 V148 | L13-I141 HydrophobicContact CD1-CD1 4.1Å; L13-I141 HydrophobicContact CD1-CG1 4.36Å; L123-I141 HydrophobicContact CB-CG2 4.46Å; L123-I141 HydrophobicContact CD1-CG2 4.39Å; L123-I141 HydrophobicContact CD2-CG2 4.44Å; I125-I141 HydrophobicContact CG2-CG1 4.17Å; I125-I141 HydrophobicContact CG2-CG2 4.34Å; I141-V148 HydrophobicContact CB-CB 4.48Å; I141-V148 PolarHBondContact N-O 3.13Å; I141-V148 PolarHBondContact O-N 3.44Å |
| 142 | T | 94.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 23.8 Ų | 23.8 | 25% | 0.252 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.9 | -179.7 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | L123 T124 I140 E146 K147 | L123-T142 CarbonylContact C-O 3.51Å; L123-T142 WeakPolarHBondContact CA-O 3.29Å; T124-T142 PolarHBondContact N-O 2.73Å; T124-T142 PolarHBondContact O-N 2.88Å; T124-T142 PolarHBondContact O-OG1 2.92Å; I140-T142 HydrophobicContact CG2-CG2 4.04Å; T142-E146 CarbonylContact C-O 3.55Å; T142-E146 WeakPolarHBondContact CA-O 3.12Å; T142-K147 HydrophobicContact CG2-CB 4.2Å; T142-K147 HydrophobicContact CG2-CD 4.21Å; T142-K147 HydrophobicContact CG2-CG 3.84Å |
| 143 | S | 88.6 | Confident | 93.3 | Very high | 34 Ų | 34 | 23.2 Ų | 23.2 | 24% | 0.238 | 13% | 0.129 | C | C | . | . | trans | -90.3 | -172.4 | 160.5 | 72.1 | 0 | 0 | 0 | 0 | 109.4 | T145 E146 | S143-T145 PolarHBondContact O-N 3.12Å; S143-T145 PolarHBondContact OG-N 3.28Å; S143-T145 VanDerWaalsContact OG-N 3.15Å; S143-E146 PolarHBondContact N-O 3.09Å; S143-E146 PolarHBondContact OG-N 2.8Å; S143-E146 PolarHBondContact OG-O 2.59Å; S143-E146 PolarHBondContact OG-OE2 2.82Å | ||
| 144 | S | 81.6 | Confident | 93.3 | Very high | 88 Ų | 88 | 22.9 Ų | 22.9 | 62% | 0.615 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -64.7 | -23.5 | 170.1 | 51 | 0 | 0 | 0 | 0 | 113.6 | E658 | S144-E658 WeakPolarHBondContact CB-OE1 3.49Š|
| 145 | T | 79.5 | Confident | 93.1 | Very high | 24 Ų | 24 | 22.7 Ų | 22.7 | 15% | 0.147 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -122.5 | -23.6 | -171.1 | 36.3 | 0 | 0 | 0 | 0 | 114.8 | S143 R656 | S143-T145 PolarHBondContact O-N 3.12Å; S143-T145 PolarHBondContact OG-N 3.28Å; S143-T145 VanDerWaalsContact OG-N 3.15Å; T145-R656 HydrophobicContact CG2-CB 4.48Å |
| 146 | E | 87.5 | Confident | 92.8 | Very high | 40 Ų | 40 | 23.8 Ų | 23.8 | 19% | 0.187 | 13% | 0.131 | C | C | . | . | trans | -131.7 | 149.7 | -171.1 | -59.1 | 88.4 | -171.4 | 0 | 0 | 112.6 | T142 S143 D173 L652 | T142-E146 CarbonylContact C-O 3.55Å; T142-E146 WeakPolarHBondContact CA-O 3.12Å; S143-E146 PolarHBondContact N-O 3.09Å; S143-E146 PolarHBondContact OG-N 2.8Å; S143-E146 PolarHBondContact OG-O 2.59Å; S143-E146 PolarHBondContact OG-OE2 2.82Å; E146-D173 WeakPolarHBondContact CA-OD2 3.48Å; E146-L652 HydrophobicContact CB-CD1 4.48Å; E146-L652 HydrophobicContact CG-CB 4.28Å; E146-L652 HydrophobicContact CG-CD1 4.06Å | ||
| 147 | K | 92.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.1 | 176.5 | -179.3 | 173.1 | 177.7 | -174.6 | 0 | 111 | I140 T142 T168 E170 D173 V174 | I140-K147 HydrophobicContact CG2-CG 4.11Å; T142-K147 HydrophobicContact CG2-CB 4.2Å; T142-K147 HydrophobicContact CG2-CD 4.21Å; T142-K147 HydrophobicContact CG2-CG 3.84Å; K147-T168 WeakPolarHBondContact CE-O 2.94Å; K147-T168 PolarHBondContact NZ-O 3.41Å; K147-E170 PolarHBondContact NZ-O 3.43Å; K147-D173 PolarHBondContact N-OD2 3.23Å; K147-D173 WeakPolarHBondContact O-CB 3.39Å; K147-D173 PolarHBondContact O-N 3.45Å; K147-V174 PolarHBondContact O-N 3.22Å |
| 148 | V | 94.9 | Very high | 91.5 | Very high | 36 Ų | 36 | 26.1 Ų | 26.1 | 22% | 0.218 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.6 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | I141 V174 I176 | I141-V148 HydrophobicContact CB-CB 4.48Å; I141-V148 PolarHBondContact N-O 3.13Å; I141-V148 PolarHBondContact O-N 3.44Å; V148-V174 CarbonylContact C-O 3.46Å; V148-V174 WeakPolarHBondContact CA-O 3.45Å; V148-V174 HydrophobicContact CG1-CB 4.26Å; V148-V174 HydrophobicContact CG1-CG1 4.46Å; V148-V174 HydrophobicContact CG2-CB 4.28Å; V148-I176 HydrophobicContact CG1-CD1 4.11Å; V148-I176 HydrophobicContact CG1-CG1 4.45Å |
| 149 | A | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I140 F169 T172 V174 L175 I176 | I140-A149 HydrophobicContact CD1-CB 3.42Å; I140-A149 VanDerWaalsContact CD1-CB 3.42Å; A149-F169 HydrophobicContact CB-CD1 3.96Å; A149-F169 HydrophobicContact CB-CE1 3.78Å; A149-T172 HydrophobicContact CB-CG2 3.72Å; A149-V174 PolarHBondContact N-O 3.27Å; A149-L175 HydrophobicContact CB-CD1 3.69Å; A149-I176 PolarHBondContact O-N 3Å |
| 150 | Y | 96.9 | Very high | 90.6 | Very high | 85 Ų | 85 | 26.5 Ų | 26.5 | 33% | 0.333 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112.4 | 175.7 | 179.1 | -105.2 | 0 | 0 | 0 | 110.6 | N138 W139 I176 | N138-Y150 WeakPolarHBondContact CA-O 3.23Å; W139-Y150 PolarHBondContact N-O 3.15Å; W139-Y150 VanDerWaalsContact N-O 3.07Å; W139-Y150 PolarHBondContact O-N 3.07Å; Y150-I176 HydrophobicContact CD2-CB 4.01Å; Y150-I176 HydrophobicContact CD2-CG2 3.86Å; Y150-I176 HydrophobicContact CE2-CG2 4.18Å |
| 151 | I | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.1 | 175.5 | -63.9 | -174.3 | 0 | 0 | 0 | 108.8 | N138 T154 F169 L175 I176 I177 G178 L601 | N138-I151 WeakPolarHBondContact OD1-CA 3.5Å; I151-T154 WeakPolarHBondContact CG2-OG1 3.29Å; I151-F169 HydrophobicContact CD1-CE1 3.76Å; I151-F169 HydrophobicContact CD1-CZ 4.23Å; I151-F169 HydrophobicContact CG1-CE1 3.77Å; I151-F169 HydrophobicContact CG1-CZ 4.08Å; I151-L175 HydrophobicContact CD1-CD1 3.72Å; I151-L175 HydrophobicContact CG1-CD1 3.93Å; I151-I176 PolarHBondContact N-O 2.86Å; I151-I177 HydrophobicContact CB-CG1 4.42Å; I151-G178 PolarHBondContact O-N 3.09Å; I151-L601 HydrophobicContact CD1-CD1 4.24Å; I151-L601 HydrophobicContact CD1-CD2 4.05Å; I151-L601 HydrophobicContact CD1-CG 4.29Å; I151-L601 HydrophobicContact CG2-CD2 4.31Å |
| 152 | S | 93.5 | Very high | 90.4 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | trans | -99.2 | -132.3 | 175.9 | -169 | 0 | 0 | 0 | 0 | 110.5 | S15 N16 N138 T154 | S15-S152 VanDerWaalsContact CB-CB 3.41Å; N16-S152 PolarHBondContact ND2-OG 3.4Å; N16-S152 VanDerWaalsContact ND2-OG 3.16Å; N138-S152 PolarHBondContact OD1-N 3.3Å; S152-T154 PolarHBondContact O-N 3.19Å; S152-T154 VanDerWaalsContact O-N 3.09Å | ||
| 153 | H | 91.2 | Very high | 90.5 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 11% | 0.106 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -69.9 | 102.8 | 173.4 | -63.3 | 54.3 | 0 | 0 | 0 | 108.2 | N16 A130 Y132 R592 | N16-H153 PolarHBondContact ND2-ND1 3.36Å; N16-H153 VanDerWaalsContact ND2-ND1 3.14Å; A130-H153 WeakPolarHBondContact CB-O 3.28Å; Y132-H153 WeakPolarHBondContact CB-O 3.44Å; Y132-H153 HydrophobicContact CD1-CB 3.48Å; Y132-H153 VanDerWaalsContact CD1-CB 3.48Å; Y132-H153 HydrophobicContact CD2-CB 4.28Å; Y132-H153 HydrophobicContact CE1-CB 3.69Å; Y132-H153 AromaticContact CE1-CD2 3.97Å; Y132-H153 HydrophobicContact CE2-CB 4.47Å; Y132-H153 HydrophobicContact CG-CB 3.8Å; Y132-H153 AromaticContact CZ-CD2 3.97Å; H153-R592 HydrophobicContact CB-CG 4.31Å; H153-R592 VanDerWaalsContact CD2-CD 3.4Å; H153-R592 WeakPolarHBondContact CD2-CD 3.28Å; H153-R592 PolarHBondContact NE2-NH1 2.95Å |
| 154 | T | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | trans | -119.9 | 145.7 | -179.7 | -67.8 | 0 | 0 | 0 | 0 | 110.2 | A130 N138 I151 S152 F164 R592 I593 L601 | A130-T154 VanDerWaalsContact O-CA 3.28Å; A130-T154 WeakPolarHBondContact O-CA 3.5Å; A130-T154 WeakPolarHBondContact O-CG2 3.27Å; N138-T154 PolarHBondContact ND2-OG1 3.27Å; N138-T154 PolarHBondContact OD1-OG1 3.49Å; I151-T154 WeakPolarHBondContact CG2-OG1 3.29Å; S152-T154 PolarHBondContact O-N 3.19Å; S152-T154 VanDerWaalsContact O-N 3.09Å; T154-F164 HydrophobicContact CG2-CB 4.46Å; T154-F164 HydrophobicContact CG2-CD2 3.6Å; T154-F164 HydrophobicContact CG2-CE2 4.02Å; T154-F164 HydrophobicContact CG2-CG 4.05Å; T154-R592 CarbonylContact O-C 3.59Å; T154-R592 WeakPolarHBondContact O-CA 3.3Å; T154-I593 PolarHBondContact O-N 3.34Å; T154-L601 HydrophobicContact CG2-CD1 4.26Å | ||
| 155 | S | 91.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | trans | -126.7 | 140.7 | 174 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | A130 G131 L157 F164 A591 | A130-S155 PolarHBondContact O-N 3.26Å; G131-S155 VanDerWaalsContact O-CB 3.24Å; G131-S155 WeakPolarHBondContact O-CB 3.1Å; S155-L157 WeakPolarHBondContact OG-CB 3.33Å; S155-L157 PolarHBondContact OG-N 3.01Å; S155-F164 WeakPolarHBondContact O-CB 3.46Å; S155-A591 WeakPolarHBondContact CA-O 3.47Å; S155-A591 WeakPolarHBondContact CB-O 3.41Å; S155-A591 PolarHBondContact OG-O 3.35Å | ||
| 156 | L | 88.4 | Confident | 92 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 13% | 0.126 | 12% | 0.116 | C | C | . | . | trans | -99.4 | 2.6 | 170.1 | -60.1 | -178.7 | 0 | 0 | 0 | 112.3 | F164 I593 Q600 L601 | L156-F164 HydrophobicContact CD2-CB 4.17Å; L156-F164 HydrophobicContact CD2-CD1 3.54Å; L156-F164 HydrophobicContact CD2-CE1 4.2Å; L156-F164 HydrophobicContact CD2-CG 4.02Å; L156-I593 HydrophobicContact CD1-CD1 3.91Å; L156-I593 HydrophobicContact CG-CD1 4.18Å; L156-Q600 HydrophobicContact CD1-CB 4.09Å; L156-L601 HydrophobicContact CD1-CB 4.37Å; L156-L601 HydrophobicContact CD2-CD1 4.18Å | ||
| 157 | L | 83.7 | Confident | 92.3 | Very high | 18 Ų | 18 | 24.7 Ų | 24.7 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -80.5 | 142.4 | 179.3 | -59.4 | 154.2 | 0 | 0 | 0 | 109.8 | S155 S159 L188 I293 L295 A591 | S155-L157 WeakPolarHBondContact OG-CB 3.33Å; S155-L157 PolarHBondContact OG-N 3.01Å; L157-S159 PolarHBondContact O-N 3.3Å; L157-L188 HydrophobicContact CD1-CB 4.42Å; L157-L188 HydrophobicContact CD1-CD2 3.27Å; L157-L188 HydrophobicContact CD1-CG 4.45Å; L157-L188 HydrophobicContact CD2-CB 4.39Å; L157-L188 HydrophobicContact CD2-CD2 4.28Å; L157-L188 HydrophobicContact CG-CD2 4.29Å; L157-I293 HydrophobicContact CD2-CB 4.17Å; L157-I293 HydrophobicContact CD2-CG2 4.07Å; L157-L295 HydrophobicContact CB-CD1 4.05Å; L157-A591 HydrophobicContact CD1-CB 4.15Å |
| 158 | Y | 82.1 | Confident | 92.3 | Very high | 32 Ų | 32 | 24.5 Ų | 24.5 | 13% | 0.125 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 102.2 | 175.2 | -167.3 | -86.2 | 0 | 0 | 0 | 108.9 | P163 I293 D294 L295 T296 N354 | Y158-P163 HydrophobicContact CD2-CG 3.78Å; Y158-P163 HydrophobicContact CE2-CG 3.61Å; Y158-I293 WeakPolarHBondContact CB-O 3.31Å; Y158-I293 PolarHBondContact N-O 3.18Å; Y158-D294 WeakPolarHBondContact CD1-OD1 3.3Å; Y158-L295 WeakPolarHBondContact O-CB 3.48Å; Y158-L295 PolarHBondContact O-N 3.17Å; Y158-T296 HydrophobicContact CD1-CG2 4.13Å; Y158-T296 HydrophobicContact CE1-CG2 4.2Å; Y158-N354 HydrophobicContact CE1-CB 4.35Å; Y158-N354 WeakPolarHBondContact CE1-ND2 3.25Å; Y158-N354 HydrophobicContact CE2-CB 4.48Å |
| 159 | S | 86.4 | Confident | 92.1 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | trans | -116.5 | -166 | 177.5 | 74.9 | 0 | 0 | 0 | 0 | 110.7 | L157 V161 N354 | L157-S159 PolarHBondContact O-N 3.3Å; S159-V161 PolarHBondContact O-N 3.45Å; S159-V161 WeakPolarHBondContact OG-CG2 3.32Å; S159-V161 PolarHBondContact OG-N 3Å; S159-N354 PolarHBondContact O-ND2 2.69Å | ||
| 160 | H | 91.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -60.9 | -20.5 | 176 | 65.5 | -84.9 | 0 | 0 | 0 | 114.9 | G217 F220 D221 L353 N354 F368 | H160-G217 PolarHBondContact CE1-O 3.07Å; H160-F220 AromaticContact NE2-CD2 3.68Å; H160-D221 WeakPolarHBondContact CB-OD1 2.98Å; H160-D221 IonicContact CE1-OD1 3.75Å; H160-D221 IonicContact CE1-OD2 3.07Å; H160-D221 PolarHBondContact CE1-OD2 3.5Å; H160-D221 VanDerWaalsContact CE1-OD2 3.31Å; H160-D221 IonicContact CG-OD1 3.96Å; H160-D221 IonicContact CG-OD2 2.82Å; H160-D221 PolarHBondContact N-OD1 3.36Å; H160-D221 IonicContact ND1-OD1 2.95Å; H160-D221 PolarHBondContact ND1-OD1 3.5Å; H160-D221 IonicContact ND1-OD2 2.65Å; H160-D221 PolarHBondContact ND1-OD2 3Å; H160-L353 CarbonylContact O-C 3.51Å; H160-L353 VanDerWaalsContact O-CA 3.3Å; H160-L353 WeakPolarHBondContact O-CA 3.46Å; H160-L353 WeakPolarHBondContact O-CB 3.31Å; H160-L353 WeakPolarHBondContact O-CD2 3.42Å; H160-N354 PolarHBondContact O-N 3.28Å; H160-F368 HydrophobicContact CB-CE1 3.9Å; H160-F368 HydrophobicContact CB-CZ 3.72Å; H160-F368 AromaticContact CD2-CZ 3.6Å; H160-F368 AromaticContact CG-CZ 3.75Å |
| 161 | V | 94.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 159.1 | -175.4 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | G131 I134 S159 | G131-V161 VanDerWaalsContact C-CG2 3.43Å; G131-V161 WeakPolarHBondContact O-CG2 3.47Å; I134-V161 HydrophobicContact CG1-CG1 3.88Å; S159-V161 PolarHBondContact O-N 3.45Å; S159-V161 WeakPolarHBondContact OG-CG2 3.32Å; S159-V161 PolarHBondContact OG-N 3Å |
| 162 | L | 94.9 | Very high | 91 | Very high | 53 Ų | 53 | 31.8 Ų | 31.8 | 28% | 0.277 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -55.7 | 128 | 172.2 | -170.4 | 68.7 | 0 | 0 | 0 | 110.2 | Y113 S129 G131 W352 | Y113-L162 HydrophobicContact CD2-CD2 3.79Å; Y113-L162 HydrophobicContact CE2-CD2 3.67Å; S129-L162 PolarHBondContact OG-O 2.79Å; G131-L162 WeakPolarHBondContact CA-O 3.3Å; L162-W352 WeakPolarHBondContact CB-O 3.46Å; L162-W352 PolarHBondContact N-O 3.11Å; L162-W352 VanDerWaalsContact N-O 3.07Å |
| 163 | P | 95.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 32 Ų | 32 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 165 | -177.2 | -27 | 35.7 | 0 | 0 | 0 | 113.8 | S129 Y158 D165 | S129-P163 VanDerWaalsContact CB-O 3.22Å; S129-P163 WeakPolarHBondContact CB-O 3.38Å; S129-P163 PolarHBondContact OG-O 3.23Å; Y158-P163 HydrophobicContact CD2-CG 3.78Å; Y158-P163 HydrophobicContact CE2-CG 3.61Å; P163-D165 PolarHBondContact O-N 3.48Å |
| 164 | F | 95.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 126.8 | 173 | 168.9 | -111.6 | 0 | 0 | 0 | 110.9 | N138 T154 S155 L156 D166 F169 L601 R604 | N138-F164 WeakPolarHBondContact ND2-CE2 3.4Å; T154-F164 HydrophobicContact CG2-CB 4.46Å; T154-F164 HydrophobicContact CG2-CD2 3.6Å; T154-F164 HydrophobicContact CG2-CE2 4.02Å; T154-F164 HydrophobicContact CG2-CG 4.05Å; S155-F164 WeakPolarHBondContact O-CB 3.46Å; L156-F164 HydrophobicContact CD2-CB 4.17Å; L156-F164 HydrophobicContact CD2-CD1 3.54Å; L156-F164 HydrophobicContact CD2-CE1 4.2Å; L156-F164 HydrophobicContact CD2-CG 4.02Å; F164-D166 HydrophobicContact CD1-CB 4.44Å; F164-D166 HydrophobicContact CE1-CB 3.73Å; F164-D166 HydrophobicContact CZ-CB 4.15Å; F164-F169 AromaticContact CE2-CE2 3.98Å; F164-F169 HydrophobicContact CE2-CE2 3.98Å; F164-F169 HydrophobicContact CE2-CZ 4.1Å; F164-F169 HydrophobicContact CZ-CD2 4.46Å; F164-F169 AromaticContact CZ-CE2 3.98Å; F164-F169 HydrophobicContact CZ-CE2 3.98Å; F164-F169 HydrophobicContact CZ-CZ 4.22Å; F164-L601 HydrophobicContact CE1-CD1 3.88Å; F164-L601 HydrophobicContact CE2-CD1 4.42Å; F164-L601 HydrophobicContact CZ-CD1 3.82Å; F164-R604 HydrophobicContact CE1-CB 4.25Å; F164-R604 PolarHBondContact O-NH2 3.38Å |
| 165 | D | 94.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | trans | -103.2 | 111 | -179.4 | 170.4 | 31 | 0 | 0 | 0 | 111.1 | H114 L128 S129 P163 S167 F169 | H114-D165 IonicContact CE1-OD2 3.62Å; H114-D165 PolarHBondContact CE1-OD2 2.99Å; H114-D165 IonicContact ND1-OD2 3.35Å; H114-D165 IonicContact NE2-OD2 3.61Å; H114-D165 PolarHBondContact NE2-OD2 3Å; H114-D165 VanDerWaalsContact NE2-OD2 3.12Å; L128-D165 HydrophobicContact CB-CB 4.44Å; L128-D165 WeakPolarHBondContact CD2-OD2 3.24Å; S129-D165 PolarHBondContact O-N 3.08Å; P163-D165 PolarHBondContact O-N 3.48Å; D165-S167 WeakPolarHBondContact OD1-CB 3.49Å; D165-S167 PolarHBondContact OD1-N 3.23Å; D165-S167 PolarHBondContact OD1-OG 3.44Å; D165-S167 PolarHBondContact OD2-OG 3.04Å; D165-F169 WeakPolarHBondContact O-CE2 3.41Å | ||
| 166 | D | 93 | Very high | 91.4 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | trans | -96.7 | 0.5 | 177.9 | 46.9 | -14.6 | 0 | 0 | 0 | 114.1 | F164 T168 F169 R604 | F164-D166 HydrophobicContact CD1-CB 4.44Å; F164-D166 HydrophobicContact CE1-CB 3.73Å; F164-D166 HydrophobicContact CZ-CB 4.15Å; D166-T168 PolarHBondContact O-N 3.06Å; D166-F169 HydrophobicContact CB-CD2 4.45Å; D166-F169 PolarHBondContact O-N 2.61Å; D166-R604 HydrophobicContact CB-CB 4.35Å; D166-R604 VanDerWaalsContact CG-NH2 3.31Å; D166-R604 IonicContact OD1-CZ 3.31Å; D166-R604 IonicContact OD1-NE 3.44Å; D166-R604 IonicContact OD1-NH2 3.98Å; D166-R604 PolarHBondContact OD1-NH2 3.02Å; D166-R604 WeakPolarHBondContact OD2-CB 3.39Å; D166-R604 IonicContact OD2-CZ 3.17Å; D166-R604 IonicContact OD2-NE 2.8Å; D166-R604 PolarHBondContact OD2-NE 3.17Å; D166-R604 IonicContact OD2-NH2 2.76Å; D166-R604 PolarHBondContact OD2-NH2 3.49Å | ||
| 167 | S | 93.3 | Very high | 91.7 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 49% | 0.49 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.4 | -169.2 | 61.1 | 0 | 0 | 0 | 0 | 115.3 | D165 | D165-S167 WeakPolarHBondContact OD1-CB 3.49Å; D165-S167 PolarHBondContact OD1-N 3.23Å; D165-S167 PolarHBondContact OD1-OG 3.44Å; D165-S167 PolarHBondContact OD2-OG 3.04Å |
| 168 | T | 91.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 23% | 0.227 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 17.5 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | L128 K147 D166 | L128-T168 WeakPolarHBondContact CD1-OG1 3.44Å; L128-T168 HydrophobicContact CD2-CG2 4.35Å; L128-T168 WeakPolarHBondContact CD2-OG1 3.41Å; K147-T168 WeakPolarHBondContact CE-O 2.94Å; K147-T168 PolarHBondContact NZ-O 3.41Å; D166-T168 PolarHBondContact O-N 3.06Å |
| 169 | F | 92.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | trans | -85.1 | -15.7 | 176.2 | -79.2 | -98.8 | 0 | 0 | 0 | 114 | L128 N138 I140 A149 I151 F164 D165 D166 T172 L175 C605 | L128-F169 HydrophobicContact CD1-CD2 3.85Å; L128-F169 HydrophobicContact CD1-CE2 3.41Å; L128-F169 VanDerWaalsContact CD1-CE2 3.41Å; L128-F169 HydrophobicContact CD1-CZ 4.23Å; N138-F169 HydrophobicContact CB-CZ 4.14Å; I140-F169 HydrophobicContact CD1-CD1 4.3Å; I140-F169 HydrophobicContact CD1-CE1 4.03Å; I140-F169 HydrophobicContact CD1-CE2 4.34Å; I140-F169 HydrophobicContact CD1-CZ 4.06Å; A149-F169 HydrophobicContact CB-CD1 3.96Å; A149-F169 HydrophobicContact CB-CE1 3.78Å; I151-F169 HydrophobicContact CD1-CE1 3.76Å; I151-F169 HydrophobicContact CD1-CZ 4.23Å; I151-F169 HydrophobicContact CG1-CE1 3.77Å; I151-F169 HydrophobicContact CG1-CZ 4.08Å; F164-F169 AromaticContact CE2-CE2 3.98Å; F164-F169 HydrophobicContact CE2-CE2 3.98Å; F164-F169 HydrophobicContact CE2-CZ 4.1Å; F164-F169 HydrophobicContact CZ-CD2 4.46Å; F164-F169 AromaticContact CZ-CE2 3.98Å; F164-F169 HydrophobicContact CZ-CE2 3.98Å; F164-F169 HydrophobicContact CZ-CZ 4.22Å; D165-F169 WeakPolarHBondContact O-CE2 3.41Å; D166-F169 HydrophobicContact CB-CD2 4.45Å; D166-F169 PolarHBondContact O-N 2.61Å; F169-T172 WeakPolarHBondContact O-CB 3.38Å; F169-T172 PolarHBondContact O-N 2.98Å; F169-T172 PolarHBondContact O-OG1 3.01Å; F169-L175 HydrophobicContact CD1-CD1 4.13Å; F169-L175 HydrophobicContact CE1-CD1 4Å; F169-C605 CarbonylContact C-O 3.58Å; F169-C605 HydrophobicContact CB-CB 3.99Å; F169-C605 WeakPolarHBondContact CB-O 3.39Å; F169-C605 HydrophobicContact CD1-CB 3.9Å; F169-C605 HydrophobicContact CG-CB 4.14Å | ||
| 170 | E | 87.1 | Confident | 92.1 | Very high | 145 Ų | 145 | 33.5 Ų | 33.5 | 68% | 0.678 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 143.5 | 176.2 | -63.2 | -174.8 | 170.2 | 0 | 0 | 112 | K147 T172 | K147-E170 PolarHBondContact NZ-O 3.43Å; E170-T172 PolarHBondContact O-N 2.72Å |
| 171 | D | 86.7 | Confident | 91.6 | Very high | 122 Ų | 122 | 33.6 Ų | 33.6 | 65% | 0.652 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 23.2 | -179.2 | -65.3 | -45.1 | 0 | 0 | 0 | 115.8 | D173 | D171-D173 PolarHBondContact O-N 3.45Š|
| 172 | T | 92.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | trans | -63 | 131.9 | 173.9 | -64.4 | 0 | 0 | 0 | 0 | 111.1 | A149 F169 E170 V174 L175 P608 R609 | A149-T172 HydrophobicContact CB-CG2 3.72Å; F169-T172 WeakPolarHBondContact O-CB 3.38Å; F169-T172 PolarHBondContact O-N 2.98Å; F169-T172 PolarHBondContact O-OG1 3.01Å; E170-T172 PolarHBondContact O-N 2.72Å; T172-V174 WeakPolarHBondContact CG2-O 3.4Å; T172-L175 HydrophobicContact CG2-CB 4.4Å; T172-P608 WeakPolarHBondContact O-CA 3.46Å; T172-R609 PolarHBondContact O-N 3.33Å | ||
| 173 | D | 92 | Very high | 89.6 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -80.3 | -45.6 | 177.2 | -65.3 | -65 | 0 | 0 | 0 | 111.5 | E146 K147 D171 R609 L610 A611 | E146-D173 WeakPolarHBondContact CA-OD2 3.48Å; K147-D173 PolarHBondContact N-OD2 3.23Å; K147-D173 WeakPolarHBondContact O-CB 3.39Å; K147-D173 PolarHBondContact O-N 3.45Å; D171-D173 PolarHBondContact O-N 3.45Å; D173-R609 WeakPolarHBondContact OD1-CD 3.35Å; D173-R609 IonicContact OD1-NE 2.95Å; D173-R609 PolarHBondContact OD1-NE 2.9Å; D173-L610 HydrophobicContact CB-CD1 3.85Å; D173-L610 HydrophobicContact CB-CG 4.12Å; D173-L610 WeakPolarHBondContact O-CA 3.28Å; D173-L610 VanDerWaalsContact O-CB 3.29Å; D173-L610 WeakPolarHBondContact O-CB 3.37Å; D173-L610 PolarHBondContact O-N 2.64Å; D173-A611 PolarHBondContact O-N 3.01Å |
| 174 | V | 93.9 | Very high | 88.1 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.8 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | K147 V148 A149 T172 I176 L610 A611 I613 I650 L652 | K147-V174 PolarHBondContact O-N 3.22Å; V148-V174 CarbonylContact C-O 3.46Å; V148-V174 WeakPolarHBondContact CA-O 3.45Å; V148-V174 HydrophobicContact CG1-CB 4.26Å; V148-V174 HydrophobicContact CG1-CG1 4.46Å; V148-V174 HydrophobicContact CG2-CB 4.28Å; A149-V174 PolarHBondContact N-O 3.27Å; T172-V174 WeakPolarHBondContact CG2-O 3.4Å; V174-I176 HydrophobicContact CG1-CD1 4.42Å; V174-I176 HydrophobicContact CG1-CG1 3.95Å; V174-L610 HydrophobicContact CG2-CB 4.4Å; V174-A611 WeakPolarHBondContact CA-O 3.21Å; V174-A611 HydrophobicContact CG1-CB 4.27Å; V174-A611 HydrophobicContact CG2-CB 4.34Å; V174-I613 HydrophobicContact CG1-CD1 4.04Å; V174-I613 HydrophobicContact CG1-CG1 4.35Å; V174-I650 HydrophobicContact CG1-CD1 4.46Å; V174-L652 HydrophobicContact CG2-CD2 3.77Å |
| 175 | L | 95.2 | Very high | 86.5 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122 | 174.2 | -178.6 | 60.9 | 0 | 0 | 0 | 109.5 | A149 I151 F169 T172 C605 P608 A611 L612 I613 | A149-L175 HydrophobicContact CB-CD1 3.69Å; I151-L175 HydrophobicContact CD1-CD1 3.72Å; I151-L175 HydrophobicContact CG1-CD1 3.93Å; F169-L175 HydrophobicContact CD1-CD1 4.13Å; F169-L175 HydrophobicContact CE1-CD1 4Å; T172-L175 HydrophobicContact CG2-CB 4.4Å; L175-C605 HydrophobicContact CD2-CB 4.03Å; L175-P608 HydrophobicContact CB-CB 4.01Å; L175-P608 HydrophobicContact CB-CG 4.11Å; L175-A611 PolarHBondContact N-O 3.33Å; L175-L612 HydrophobicContact CB-CD1 4.03Å; L175-L612 HydrophobicContact CD2-CD1 3.92Å; L175-L612 HydrophobicContact CG-CD1 3.95Å; L175-L612 WeakPolarHBondContact O-CA 3.37Å; L175-I613 PolarHBondContact O-N 3.39Å |
| 176 | I | 95.5 | Very high | 85 | Confident | 47 Ų | 47 | 36.9 Ų | 36.9 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.8 | -179 | -49.4 | -175.5 | 0 | 0 | 0 | 108.7 | V148 A149 Y150 I151 V174 I613 | V148-I176 HydrophobicContact CG1-CD1 4.11Å; V148-I176 HydrophobicContact CG1-CG1 4.45Å; A149-I176 PolarHBondContact O-N 3Å; Y150-I176 HydrophobicContact CD2-CB 4.01Å; Y150-I176 HydrophobicContact CD2-CG2 3.86Å; Y150-I176 HydrophobicContact CE2-CG2 4.18Å; I151-I176 PolarHBondContact N-O 2.86Å; V174-I176 HydrophobicContact CG1-CD1 4.42Å; V174-I176 HydrophobicContact CG1-CG1 3.95Å; I176-I613 HydrophobicContact CD1-CD1 4.1Å; I176-I613 HydrophobicContact CG1-CB 4.4Å; I176-I613 HydrophobicContact CG1-CD1 3.89Å; I176-I613 HydrophobicContact CG1-CG1 4.38Å; I176-I613 HydrophobicContact CG2-CB 4.28Å |
| 177 | I | 94.3 | Very high | 84 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 108.4 | 171.6 | -57 | -174.3 | 0 | 0 | 0 | 107.5 | I151 V180 L601 L612 I613 L614 P615 | I151-I177 HydrophobicContact CB-CG1 4.42Å; I177-V180 HydrophobicContact CG2-CG2 3.73Å; I177-L601 HydrophobicContact CD1-CD2 3.92Å; I177-L612 HydrophobicContact CD1-CD1 4.31Å; I177-L612 HydrophobicContact CG1-CD1 4.4Å; I177-I613 PolarHBondContact N-O 3.28Å; I177-L614 HydrophobicContact CB-CD2 3.9Å; I177-L614 HydrophobicContact CD1-CD2 3.66Å; I177-L614 HydrophobicContact CG1-CD2 3.99Å; I177-P615 WeakPolarHBondContact O-CD 3.19Å; I177-P615 WeakPolarHBondContact O-CG 3.49Å |
| 178 | G | 89.1 | Confident | 83.3 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 37% | 0.371 | 20% | 0.201 | S | C | . | . | trans | -81 | -24.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I151 | I151-G178 PolarHBondContact O-N 3.09Š| ||
| 179 | T | 86.9 | Confident | 82.8 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 18% | 0.184 | 21% | 0.208 | C | C | . | . | trans | -154.6 | 149.5 | -177.2 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 180 | V | 85.4 | Confident | 82.4 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | trans | -145.3 | 140.2 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | I177 M182 I593 A595 I598 V618 | I177-V180 HydrophobicContact CG2-CG2 3.73Å; V180-M182 HydrophobicContact CB-CE 3.51Å; V180-M182 HydrophobicContact CG1-CE 3.29Å; V180-M182 PolarHBondContact O-N 3.49Å; V180-I593 WeakPolarHBondContact CG1-O 3.44Å; V180-A595 HydrophobicContact CG1-CB 4.41Å; V180-I598 HydrophobicContact CG1-CD1 4.05Å; V180-I598 HydrophobicContact CG1-CG1 4.36Å; V180-I598 HydrophobicContact CG2-CD1 3.98Å; V180-I598 HydrophobicContact CG2-CG1 4.47Å; V180-V618 HydrophobicContact CB-CG2 3.8Å; V180-V618 HydrophobicContact CG1-CG2 4.35Å; V180-V618 HydrophobicContact CG2-CG2 3.81Å | ||
| 181 | N | 81.4 | Confident | 82.4 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -78.2 | 113.1 | 175.6 | -178.1 | 4.2 | 0 | 0 | 0 | 110.6 | Y183 A184 E590 R592 I593 G594 A595 | N181-Y183 PolarHBondContact O-N 2.81Å; N181-Y183 PolarHBondContact OD1-N 3.05Å; N181-A184 HydrophobicContact CB-CB 3.97Å; N181-A184 VanDerWaalsContact CG-N 3.29Å; N181-A184 VanDerWaalsContact ND2-CA 3.34Å; N181-A184 WeakPolarHBondContact ND2-CA 3.46Å; N181-A184 WeakPolarHBondContact ND2-CB 3.44Å; N181-A184 PolarHBondContact ND2-N 3.25Å; N181-A184 PolarHBondContact OD1-N 3.01Å; N181-A184 VanDerWaalsContact OD1-N 3.17Å; N181-E590 PolarHBondContact ND2-OE2 2.84Å; N181-R592 HydrophobicContact CB-CB 3.76Å; N181-I593 PolarHBondContact N-O 3.1Å; N181-G594 WeakPolarHBondContact O-CA 3.48Å; N181-A595 PolarHBondContact O-N 3.16Å |
| 182 | M | 76.7 | Confident | 82.6 | Confident | 28 Ų | 28 | 32.4 Ų | 32.4 | 14% | 0.138 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -12.8 | 179.3 | -68.7 | -57.7 | 99.9 | 0 | 0 | 113.7 | V180 W536 A595 V618 K621 | V180-M182 HydrophobicContact CB-CE 3.51Å; V180-M182 HydrophobicContact CG1-CE 3.29Å; V180-M182 PolarHBondContact O-N 3.49Å; M182-W536 HydrophobicContact CB-CZ2 4.17Å; M182-W536 HydrophobicContact CG-CZ2 3.76Å; M182-A595 HydrophobicContact CE-CB 3.79Å; M182-A595 HydrophobicContact SD-CB 4.23Å; M182-V618 HydrophobicContact CE-CG2 3.57Å; M182-V618 HydrophobicContact SD-CG2 4.37Å; M182-K621 HydrophobicContact SD-CD 4.45Å; M182-K621 PolarHBondContact SD-NZ 2.88Å |
| 183 | Y | 69.7 | Low | 82.4 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 11.6 | -177.7 | -53.7 | -78.6 | 0 | 0 | 0 | 112.6 | N181 S185 L541 W586 | N181-Y183 PolarHBondContact O-N 2.81Å; N181-Y183 PolarHBondContact OD1-N 3.05Å; Y183-S185 PolarHBondContact O-N 2.79Å; Y183-L541 PolarHBondContact OH-O 3.16Å; Y183-L541 VanDerWaalsContact OH-O 3.13Å; Y183-W586 HydrophobicContact CD1-CH2 4.13Å; Y183-W586 HydrophobicContact CG-CH2 4.43Å |
| 184 | A | 64.1 | Low | 82.4 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | trans | -57.7 | 129.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | N181 | N181-A184 HydrophobicContact CB-CB 3.97Å; N181-A184 VanDerWaalsContact CG-N 3.29Å; N181-A184 VanDerWaalsContact ND2-CA 3.34Å; N181-A184 WeakPolarHBondContact ND2-CA 3.46Å; N181-A184 WeakPolarHBondContact ND2-CB 3.44Å; N181-A184 PolarHBondContact ND2-N 3.25Å; N181-A184 PolarHBondContact OD1-N 3.01Å; N181-A184 VanDerWaalsContact OD1-N 3.17Å | ||
| 185 | S | 62.1 | Low | 82.4 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | trans | -72.1 | 127.1 | 165.2 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | Y183 E187 T191 | Y183-S185 PolarHBondContact O-N 2.79Å; S185-E187 PolarHBondContact O-N 2.79Å; S185-E187 VanDerWaalsContact O-N 3.08Å; S185-E187 PolarHBondContact OG-N 3.36Å; S185-E187 PolarHBondContact OG-O 2.84Å; S185-T191 PolarHBondContact OG-OG1 2.88Å | ||
| 186 | D | 62.6 | Low | 82.3 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -62.6 | -11.8 | 170.1 | -52.7 | -51.4 | 0 | 0 | 0 | 111.4 | Q596 | D186-Q596 VanDerWaalsContact CG-CD 3.46Å; D186-Q596 WeakPolarHBondContact OD1-CB 3.38Å; D186-Q596 VanDerWaalsContact OD1-CD 3.23Å; D186-Q596 PolarHBondContact OD1-NE2 3.46Å; D186-Q596 PolarHBondContact OD1-OE1 2.94Å; D186-Q596 PolarHBondContact OD2-NE2 2.95Å; D186-Q596 PolarHBondContact OD2-OE1 3.22Å |
| 187 | E | 71.4 | Confident | 82.2 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | trans | -124.4 | 58 | -172.3 | -52.2 | -175 | 148.3 | 0 | 0 | 110 | S185 E189 K190 T191 | S185-E187 PolarHBondContact O-N 2.79Å; S185-E187 VanDerWaalsContact O-N 3.08Å; S185-E187 PolarHBondContact OG-N 3.36Å; S185-E187 PolarHBondContact OG-O 2.84Å; E187-E189 PolarHBondContact O-N 3.07Å; E187-K190 HydrophobicContact CB-CB 3.97Å; E187-K190 HydrophobicContact CB-CD 4.13Å; E187-K190 HydrophobicContact CB-CG 3.99Å; E187-K190 HydrophobicContact CG-CD 4.48Å; E187-K190 PolarHBondContact O-N 3.36Å; E187-K190 VanDerWaalsContact O-N 3.12Å; E187-K190 WeakPolarHBondContact OE1-CE 3.15Å; E187-K190 IonicContact OE1-NZ 2.62Å; E187-K190 PolarHBondContact OE1-NZ 3.43Å; E187-K190 WeakPolarHBondContact OE2-CD 3.4Å; E187-K190 WeakPolarHBondContact OE2-CE 3.25Å; E187-K190 IonicContact OE2-NZ 2.75Å; E187-K190 PolarHBondContact OE2-NZ 2.92Å; E187-T191 PolarHBondContact O-N 3.09Å; E187-T191 PolarHBondContact O-OG1 2.98Å | ||
| 188 | L | 79.6 | Confident | 82.2 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.8 | -40.8 | 177.3 | -179.3 | 64.8 | 0 | 0 | 0 | 111.3 | L157 K190 T191 V192 L295 M589 | L157-L188 HydrophobicContact CD1-CB 4.42Å; L157-L188 HydrophobicContact CD1-CD2 3.27Å; L157-L188 HydrophobicContact CD1-CG 4.45Å; L157-L188 HydrophobicContact CD2-CB 4.39Å; L157-L188 HydrophobicContact CD2-CD2 4.28Å; L157-L188 HydrophobicContact CG-CD2 4.29Å; L188-K190 VanDerWaalsContact C-N 3.35Å; L188-K190 PolarHBondContact O-N 3.31Å; L188-T191 CarbonylContact O-C 3.53Å; L188-T191 WeakPolarHBondContact O-CA 3.49Å; L188-T191 VanDerWaalsContact O-CB 3.29Å; L188-T191 WeakPolarHBondContact O-CB 3.21Å; L188-T191 PolarHBondContact O-N 3.41Å; L188-V192 HydrophobicContact CD1-CG2 4.28Å; L188-V192 HydrophobicContact CG-CG2 4.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.47Å; L188-V192 PolarHBondContact O-N 3.07Å; L188-L295 HydrophobicContact CD2-CD1 3.81Å; L188-L295 HydrophobicContact CD2-CD2 4.3Å; L188-L295 HydrophobicContact CG-CD2 4.41Å; L188-M589 HydrophobicContact CD1-CB 4.16Å; L188-M589 HydrophobicContact CD1-CG 4.19Å |
| 189 | E | 80.8 | Confident | 82.4 | Confident | 83 Ų | 83 | 38.3 Ų | 38.3 | 39% | 0.388 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -53.7 | -49.7 | 174.7 | -69.2 | -179 | 159.5 | 0 | 0 | 111.8 | E187 T191 V192 E193 I293 | E187-E189 PolarHBondContact O-N 3.07Å; E189-T191 VanDerWaalsContact C-N 3.26Å; E189-T191 PolarHBondContact O-N 3.04Å; E189-V192 WeakPolarHBondContact O-CB 3.5Å; E189-V192 PolarHBondContact O-N 3.12Å; E189-V192 VanDerWaalsContact O-N 3.1Å; E189-E193 WeakPolarHBondContact O-CG 3.41Å; E189-E193 PolarHBondContact O-N 2.81Å; E189-I293 HydrophobicContact CG-CG2 3.45Å; E189-I293 VanDerWaalsContact CG-CG2 3.45Å; E189-I293 WeakPolarHBondContact OE1-CG2 3.36Å |
| 190 | K | 84.7 | Confident | 82.8 | Confident | 110 Ų | 110 | 37.4 Ų | 37.4 | 48% | 0.478 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.7 | -34 | 177.4 | -61 | -163.6 | -153.4 | 162.1 | 0 | 112.3 | E187 L188 V192 E193 E194 | E187-K190 HydrophobicContact CB-CB 3.97Å; E187-K190 HydrophobicContact CB-CD 4.13Å; E187-K190 HydrophobicContact CB-CG 3.99Å; E187-K190 HydrophobicContact CG-CD 4.48Å; E187-K190 PolarHBondContact O-N 3.36Å; E187-K190 VanDerWaalsContact O-N 3.12Å; E187-K190 WeakPolarHBondContact OE1-CE 3.15Å; E187-K190 IonicContact OE1-NZ 2.62Å; E187-K190 PolarHBondContact OE1-NZ 3.43Å; E187-K190 WeakPolarHBondContact OE2-CD 3.4Å; E187-K190 WeakPolarHBondContact OE2-CE 3.25Å; E187-K190 IonicContact OE2-NZ 2.75Å; E187-K190 PolarHBondContact OE2-NZ 2.92Å; L188-K190 VanDerWaalsContact C-N 3.35Å; L188-K190 PolarHBondContact O-N 3.31Å; K190-V192 VanDerWaalsContact C-N 3.32Å; K190-E193 PolarHBondContact O-N 2.76Å; K190-E194 WeakPolarHBondContact O-CB 3.39Å; K190-E194 PolarHBondContact O-N 2.9Å |
| 191 | T | 86.8 | Confident | 83.2 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.2 | -48.2 | 0 | 0 | 0 | 0 | 110.4 | S185 E187 L188 E189 E194 F195 L587 M589 | S185-T191 PolarHBondContact OG-OG1 2.88Å; E187-T191 PolarHBondContact O-N 3.09Å; E187-T191 PolarHBondContact O-OG1 2.98Å; L188-T191 CarbonylContact O-C 3.53Å; L188-T191 WeakPolarHBondContact O-CA 3.49Å; L188-T191 VanDerWaalsContact O-CB 3.29Å; L188-T191 WeakPolarHBondContact O-CB 3.21Å; L188-T191 PolarHBondContact O-N 3.41Å; E189-T191 VanDerWaalsContact C-N 3.26Å; E189-T191 PolarHBondContact O-N 3.04Å; T191-E194 PolarHBondContact O-N 3.18Å; T191-F195 WeakPolarHBondContact O-CB 3.46Å; T191-F195 PolarHBondContact O-N 3.33Å; T191-L587 HydrophobicContact CG2-CB 3.91Å; T191-L587 HydrophobicContact CG2-CD2 3.94Å; T191-L587 HydrophobicContact CG2-CG 4.43Å; T191-M589 HydrophobicContact CG2-CE 3.87Å; T191-M589 HydrophobicContact CG2-CG 3.69Å; T191-M589 WeakPolarHBondContact O-CE 3.27Å |
| 192 | V | 89.7 | Confident | 83.7 | Confident | 17 Ų | 17 | 37 Ų | 37 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | L188 E189 K190 F195 C196 T225 L295 M589 | L188-V192 HydrophobicContact CD1-CG2 4.28Å; L188-V192 HydrophobicContact CG-CG2 4.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.47Å; L188-V192 PolarHBondContact O-N 3.07Å; E189-V192 WeakPolarHBondContact O-CB 3.5Å; E189-V192 PolarHBondContact O-N 3.12Å; E189-V192 VanDerWaalsContact O-N 3.1Å; K190-V192 VanDerWaalsContact C-N 3.32Å; V192-F195 WeakPolarHBondContact O-CB 3.31Å; V192-F195 PolarHBondContact O-N 3.42Å; V192-C196 PolarHBondContact O-N 3.2Å; V192-C196 PolarHBondContact O-SG 2.75Å; V192-T225 HydrophobicContact CG1-CG2 3.77Å; V192-L295 HydrophobicContact CG2-CD2 4.15Å; V192-M589 VanDerWaalsContact CA-CE 3.45Å; V192-M589 HydrophobicContact CB-CE 4.27Å; V192-M589 HydrophobicContact CG2-CE 3.86Å |
| 193 | E | 89.5 | Confident | 84.5 | Confident | 132 Ų | 132 | 35.6 Ų | 35.6 | 62% | 0.617 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.4 | -44.8 | 172.2 | -71.1 | 177.8 | 171.4 | 0 | 0 | 111.6 | E189 K190 C196 H197 | E189-E193 WeakPolarHBondContact O-CG 3.41Å; E189-E193 PolarHBondContact O-N 2.81Å; K190-E193 PolarHBondContact O-N 2.76Å; E193-C196 WeakPolarHBondContact O-CB 3.4Å; E193-C196 PolarHBondContact O-N 2.8Å; E193-H197 WeakPolarHBondContact O-CB 3.39Å; E193-H197 PolarHBondContact O-N 2.78Å |
| 194 | E | 90.5 | Very high | 85.5 | Confident | 25 Ų | 25 | 34.2 Ų | 34.2 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.3 | -178.6 | 66.7 | -169.2 | 0 | 0 | 111.7 | K190 T191 C196 H197 I198 S571 T573 L587 | K190-E194 WeakPolarHBondContact O-CB 3.39Å; K190-E194 PolarHBondContact O-N 2.9Å; T191-E194 PolarHBondContact O-N 3.18Å; E194-C196 PolarHBondContact O-N 2.99Å; E194-H197 WeakPolarHBondContact O-CB 3.42Å; E194-H197 PolarHBondContact O-N 3.08Å; E194-I198 HydrophobicContact CG-CD1 3.98Å; E194-I198 HydrophobicContact CG-CG1 4.44Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.49Å; E194-I198 PolarHBondContact O-N 2.72Å; E194-S571 PolarHBondContact OE1-OG 2.98Å; E194-S571 VanDerWaalsContact OE1-OG 3.11Å; E194-S571 WeakPolarHBondContact OE2-CB 3.39Å; E194-S571 PolarHBondContact OE2-OG 3.18Å; E194-T573 WeakPolarHBondContact CG-OG1 3.25Å; E194-L587 HydrophobicContact CB-CD2 4.37Å; E194-L587 HydrophobicContact CG-CD1 4.33Å; E194-L587 HydrophobicContact CG-CD2 3.91Å |
| 195 | F | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.7 | -49.4 | 172.8 | 164.1 | -99.1 | 0 | 0 | 0 | 111.7 | T191 V192 H197 I198 V199 V211 L222 A226 F482 I523 L587 M589 | T191-F195 WeakPolarHBondContact O-CB 3.46Å; T191-F195 PolarHBondContact O-N 3.33Å; V192-F195 WeakPolarHBondContact O-CB 3.31Å; V192-F195 PolarHBondContact O-N 3.42Å; F195-H197 VanDerWaalsContact C-N 3.26Å; F195-H197 PolarHBondContact O-N 3.4Å; F195-I198 PolarHBondContact O-N 3.22Å; F195-V199 HydrophobicContact CD2-CG2 4.19Å; F195-V199 HydrophobicContact CE1-CG2 4.23Å; F195-V199 HydrophobicContact CE2-CG2 3.88Å; F195-V199 HydrophobicContact CG-CG2 4.49Å; F195-V199 HydrophobicContact CZ-CG2 3.9Å; F195-V199 WeakPolarHBondContact O-CB 3.29Å; F195-V199 VanDerWaalsContact O-CG2 3.23Å; F195-V199 WeakPolarHBondContact O-CG2 3.03Å; F195-V199 PolarHBondContact O-N 2.96Å; F195-V211 HydrophobicContact CE2-CG1 4.43Å; F195-V211 HydrophobicContact CE2-CG2 3.87Å; F195-V211 HydrophobicContact CZ-CG2 4.44Å; F195-L222 HydrophobicContact CD1-CD2 4.16Å; F195-L222 HydrophobicContact CE1-CB 4.37Å; F195-L222 HydrophobicContact CE1-CD2 4.09Å; F195-L222 HydrophobicContact CZ-CB 4.43Å; F195-A226 HydrophobicContact CE1-CB 4.04Å; F195-A226 HydrophobicContact CZ-CB 4.37Å; F195-F482 HydrophobicContact CZ-CE1 4.34Å; F195-F482 HydrophobicContact CZ-CZ 4.17Å; F195-I523 HydrophobicContact CD2-CD1 3.9Å; F195-I523 HydrophobicContact CD2-CG2 4.12Å; F195-I523 HydrophobicContact CE2-CD1 4.11Å; F195-L587 HydrophobicContact CB-CD1 3.8Å; F195-M589 HydrophobicContact CB-CE 3.2Å; F195-M589 HydrophobicContact CB-SD 4.32Å; F195-M589 HydrophobicContact CD1-CE 4.45Å; F195-M589 HydrophobicContact CD2-CE 4.38Å; F195-M589 HydrophobicContact CG-CE 3.81Å; F195-M589 HydrophobicContact CG-SD 4.41Å |
| 196 | C | 94.4 | Very high | 87.9 | Confident | 17 Ų | 17 | 35.2 Ų | 35.2 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 177 | -68.3 | 0 | 0 | 0 | 0 | 110.9 | V192 E193 E194 V199 V200 T225 A229 | V192-C196 PolarHBondContact O-N 3.2Å; V192-C196 PolarHBondContact O-SG 2.75Å; E193-C196 WeakPolarHBondContact O-CB 3.4Å; E193-C196 PolarHBondContact O-N 2.8Å; E194-C196 PolarHBondContact O-N 2.99Å; C196-V199 PolarHBondContact O-N 2.94Å; C196-V200 WeakPolarHBondContact O-CG1 3.49Å; C196-V200 WeakPolarHBondContact O-CG2 3.33Å; C196-V200 PolarHBondContact O-N 2.93Å; C196-T225 WeakPolarHBondContact SG-CG2 3.19Å; C196-A229 HydrophobicContact CB-CB 3.73Å |
| 197 | H | 92.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 32 Ų | 32 | 28% | 0.278 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.5 | -52.5 | 176.1 | 180 | 83 | 0 | 0 | 0 | 111.9 | E193 E194 F195 V199 V200 Q201 | E193-H197 WeakPolarHBondContact O-CB 3.39Å; E193-H197 PolarHBondContact O-N 2.78Å; E194-H197 WeakPolarHBondContact O-CB 3.42Å; E194-H197 PolarHBondContact O-N 3.08Å; F195-H197 VanDerWaalsContact C-N 3.26Å; F195-H197 PolarHBondContact O-N 3.4Å; H197-V199 VanDerWaalsContact C-N 3.31Å; H197-V199 PolarHBondContact O-N 3.03Å; H197-V200 WeakPolarHBondContact O-CG2 3.42Å; H197-V200 PolarHBondContact O-N 3.18Å; H197-Q201 VanDerWaalsContact O-CB 3.24Å; H197-Q201 WeakPolarHBondContact O-CB 3.34Å; H197-Q201 WeakPolarHBondContact O-CG 3.48Å; H197-Q201 PolarHBondContact O-N 2.8Å |
| 198 | I | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 179.2 | -65.3 | 166.7 | 0 | 0 | 0 | 110.5 | E194 F195 T202 L240 I523 Y585 L587 | E194-I198 HydrophobicContact CG-CD1 3.98Å; E194-I198 HydrophobicContact CG-CG1 4.44Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.49Å; E194-I198 PolarHBondContact O-N 2.72Å; F195-I198 PolarHBondContact O-N 3.22Å; I198-T202 VanDerWaalsContact O-CB 3.23Å; I198-T202 WeakPolarHBondContact O-CB 3.5Å; I198-T202 PolarHBondContact O-N 3.1Å; I198-T202 PolarHBondContact O-OG1 3.14Å; I198-L240 HydrophobicContact CG1-CD1 4.2Å; I198-L240 HydrophobicContact CG2-CD2 4.32Å; I198-I523 HydrophobicContact CB-CD1 4.07Å; I198-I523 HydrophobicContact CG2-CD1 3.6Å; I198-I523 HydrophobicContact CG2-CG1 4.01Å; I198-Y585 HydrophobicContact CD1-CD1 3.71Å; I198-Y585 HydrophobicContact CD1-CD2 4.34Å; I198-Y585 HydrophobicContact CD1-CE1 4.29Å; I198-Y585 HydrophobicContact CD1-CG 3.74Å; I198-Y585 HydrophobicContact CG1-CD1 4.46Å; I198-Y585 HydrophobicContact CG2-CD2 3.89Å; I198-Y585 HydrophobicContact CG2-CE2 3.96Å; I198-Y585 HydrophobicContact CG2-CG 4.37Å; I198-L587 HydrophobicContact CD1-CD1 3.9Å |
| 199 | V | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.2 | -58.3 | 178.6 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | F195 C196 H197 Q201 T202 L203 V209 L480 I523 | F195-V199 HydrophobicContact CD2-CG2 4.19Å; F195-V199 HydrophobicContact CE1-CG2 4.23Å; F195-V199 HydrophobicContact CE2-CG2 3.88Å; F195-V199 HydrophobicContact CG-CG2 4.49Å; F195-V199 HydrophobicContact CZ-CG2 3.9Å; F195-V199 WeakPolarHBondContact O-CB 3.29Å; F195-V199 VanDerWaalsContact O-CG2 3.23Å; F195-V199 WeakPolarHBondContact O-CG2 3.03Å; F195-V199 PolarHBondContact O-N 2.96Å; C196-V199 PolarHBondContact O-N 2.94Å; H197-V199 VanDerWaalsContact C-N 3.31Å; H197-V199 PolarHBondContact O-N 3.03Å; V199-Q201 VanDerWaalsContact C-N 3.35Å; V199-Q201 PolarHBondContact O-N 3.21Å; V199-T202 PolarHBondContact O-N 3.2Å; V199-L203 HydrophobicContact CG1-CD1 3.97Å; V199-L203 VanDerWaalsContact O-CG 3.26Å; V199-L203 WeakPolarHBondContact O-CG 2.98Å; V199-L203 PolarHBondContact O-N 3.11Å; V199-L203 VanDerWaalsContact O-N 3.08Å; V199-V209 HydrophobicContact CG2-CG1 4.2Å; V199-L480 HydrophobicContact CG1-CD2 4.1Å; V199-L480 HydrophobicContact CG2-CD1 4.41Å; V199-I523 HydrophobicContact CG2-CD1 3.97Å |
| 200 | V | 94.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 7% | 0.073 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.8 | -37.1 | -175.1 | -59.6 | 0 | 0 | 0 | 0 | 112 | C196 H197 A204 A229 F233 V327 | C196-V200 WeakPolarHBondContact O-CG1 3.49Å; C196-V200 WeakPolarHBondContact O-CG2 3.33Å; C196-V200 PolarHBondContact O-N 2.93Å; H197-V200 WeakPolarHBondContact O-CG2 3.42Å; H197-V200 PolarHBondContact O-N 3.18Å; V200-A204 VanDerWaalsContact O-CB 3.24Å; V200-A204 WeakPolarHBondContact O-CB 3.45Å; V200-A204 PolarHBondContact O-N 3.11Å; V200-A229 HydrophobicContact CG1-CB 4.03Å; V200-F233 HydrophobicContact CB-CB 4.39Å; V200-F233 HydrophobicContact CB-CD2 3.71Å; V200-F233 HydrophobicContact CB-CE2 4.17Å; V200-F233 HydrophobicContact CB-CG 4.06Å; V200-F233 HydrophobicContact CG1-CB 4.35Å; V200-F233 HydrophobicContact CG1-CD2 4.43Å; V200-F233 HydrophobicContact CG2-CD2 3.59Å; V200-F233 HydrophobicContact CG2-CE2 3.83Å; V200-F233 HydrophobicContact CG2-CG 4.43Å; V200-V327 HydrophobicContact CB-CG1 4.34Å; V200-V327 HydrophobicContact CG1-CG1 4.34Å |
| 201 | Q | 93.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 2% | 0.023 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.8 | -44.3 | 177.7 | -69.4 | -59.7 | -25.9 | 0 | 0 | 111.4 | H197 V199 L203 A204 H205 T236 L238 L240 | H197-Q201 VanDerWaalsContact O-CB 3.24Å; H197-Q201 WeakPolarHBondContact O-CB 3.34Å; H197-Q201 WeakPolarHBondContact O-CG 3.48Å; H197-Q201 PolarHBondContact O-N 2.8Å; V199-Q201 VanDerWaalsContact C-N 3.35Å; V199-Q201 PolarHBondContact O-N 3.21Å; Q201-L203 PolarHBondContact O-N 2.88Å; Q201-A204 PolarHBondContact O-N 3.04Å; Q201-H205 PolarHBondContact O-N 3.39Å; Q201-H205 PolarHBondContact O-ND1 2.93Å; Q201-T236 PolarHBondContact NE2-O 3.12Å; Q201-L238 PolarHBondContact OE1-O 2.79Å; Q201-L240 HydrophobicContact CB-CB 4.39Å; Q201-L240 HydrophobicContact CB-CD2 4Å |
| 202 | T | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 178.6 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | I198 V199 A204 H205 G206 G207 V209 L240 F241 S521 | I198-T202 VanDerWaalsContact O-CB 3.23Å; I198-T202 WeakPolarHBondContact O-CB 3.5Å; I198-T202 PolarHBondContact O-N 3.1Å; I198-T202 PolarHBondContact O-OG1 3.14Å; V199-T202 PolarHBondContact O-N 3.2Å; T202-A204 VanDerWaalsContact C-N 3.33Å; T202-A204 PolarHBondContact O-N 3.39Å; T202-H205 PolarHBondContact O-N 2.72Å; T202-G206 PolarHBondContact O-N 3.49Å; T202-G207 PolarHBondContact O-N 3.4Å; T202-V209 HydrophobicContact CG2-CG2 3.57Å; T202-L240 WeakPolarHBondContact OG1-CD2 3.33Å; T202-F241 HydrophobicContact CG2-CZ 4.36Å; T202-S521 WeakPolarHBondContact CG2-OG 3.47Å; T202-S521 WeakPolarHBondContact OG1-CB 3.26Å; T202-S521 PolarHBondContact OG1-OG 3.33Å |
| 203 | L | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.8 | -65.6 | 174.7 | 0 | 0 | 0 | 111.6 | V199 Q201 H205 G206 V209 V327 P478 | V199-L203 HydrophobicContact CG1-CD1 3.97Å; V199-L203 VanDerWaalsContact O-CG 3.26Å; V199-L203 WeakPolarHBondContact O-CG 2.98Å; V199-L203 PolarHBondContact O-N 3.11Å; V199-L203 VanDerWaalsContact O-N 3.08Å; Q201-L203 PolarHBondContact O-N 2.88Å; L203-H205 VanDerWaalsContact C-N 3.27Å; L203-H205 PolarHBondContact O-N 3.46Å; L203-G206 PolarHBondContact O-N 3.4Å; L203-V209 HydrophobicContact CD2-CG2 4.3Å; L203-V209 HydrophobicContact CG-CG2 4.26Å; L203-V327 HydrophobicContact CB-CG1 4.46Å; L203-V327 HydrophobicContact CB-CG2 3.94Å; L203-V327 HydrophobicContact CD1-CG1 4.42Å; L203-P478 HydrophobicContact CD2-CB 3.93Å |
| 204 | A | 91.7 | Very high | 92.6 | Very high | 9 Ų | 9 | 11.9 Ų | 11.9 | 7% | 0.074 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.3 | -29.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V200 Q201 T202 G206 F233 I237 V327 | V200-A204 VanDerWaalsContact O-CB 3.24Å; V200-A204 WeakPolarHBondContact O-CB 3.45Å; V200-A204 PolarHBondContact O-N 3.11Å; Q201-A204 PolarHBondContact O-N 3.04Å; T202-A204 VanDerWaalsContact C-N 3.33Å; T202-A204 PolarHBondContact O-N 3.39Å; A204-G206 PolarHBondContact O-N 3.38Å; A204-F233 HydrophobicContact CB-CE1 3.73Å; A204-F233 HydrophobicContact CB-CZ 3.83Å; A204-I237 HydrophobicContact CB-CD1 4.4Å; A204-I237 HydrophobicContact CB-CG1 4.13Å; A204-V327 HydrophobicContact CB-CG2 3.77Å |
| 205 | H | 88.9 | Confident | 92.6 | Very high | 56 Ų | 56 | 10.7 Ų | 10.7 | 26% | 0.259 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2 | 172 | -69.8 | 87.5 | 0 | 0 | 0 | 113.2 | Q201 T202 L203 G207 I237 L238 | Q201-H205 PolarHBondContact O-N 3.39Å; Q201-H205 PolarHBondContact O-ND1 2.93Å; T202-H205 PolarHBondContact O-N 2.72Å; L203-H205 VanDerWaalsContact C-N 3.27Å; L203-H205 PolarHBondContact O-N 3.46Å; H205-G207 VanDerWaalsContact C-N 3.28Å; H205-G207 PolarHBondContact O-N 3.4Å; H205-I237 WeakPolarHBondContact CE1-CG2 3.36Å; H205-I237 WeakPolarHBondContact NE2-CG2 3.45Å; H205-L238 PolarHBondContact CE1-O 3.13Å; H205-L238 VanDerWaalsContact CE1-O 3.22Å |
| 206 | G | 86.6 | Confident | 92.5 | Very high | 27 Ų | 27 | 11.4 Ų | 11.4 | 28% | 0.278 | 7% | 0.067 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 13.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T202 L203 A204 S518 | T202-G206 PolarHBondContact O-N 3.49Å; L203-G206 PolarHBondContact O-N 3.4Å; A204-G206 PolarHBondContact O-N 3.38Å; G206-S518 VanDerWaalsContact O-CB 3.28Å; G206-S518 WeakPolarHBondContact O-CB 3.22Å |
| 207 | G | 88.7 | Confident | 92.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -86.7 | 159.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T202 H205 P478 H519 | T202-G207 PolarHBondContact O-N 3.4Å; H205-G207 VanDerWaalsContact C-N 3.28Å; H205-G207 PolarHBondContact O-N 3.4Å; G207-P478 VanDerWaalsContact O-CB 3.24Å; G207-P478 WeakPolarHBondContact O-CB 3.42Å; G207-H519 WeakPolarHBondContact CA-O 3.29Å | ||
| 208 | N | 92.6 | Very high | 92 | Very high | 13 Ų | 13 | 9.7 Ų | 9.7 | 7% | 0.07 | 6% | 0.063 | C | C | . | . | trans | -90.1 | 150.2 | 171.3 | -59.4 | -60.3 | 0 | 0 | 0 | 110.7 | C479 L500 N520 S521 | N208-C479 WeakPolarHBondContact CA-O 3.29Å; N208-C479 PolarHBondContact OD1-N 3.06Å; N208-C479 VanDerWaalsContact OD1-N 3.11Å; N208-C479 PolarHBondContact OD1-SG 2.94Å; N208-L500 HydrophobicContact CB-CD2 3.87Å; N208-N520 PolarHBondContact N-OD1 3Å; N208-N520 WeakPolarHBondContact O-CA 3.38Å; N208-N520 WeakPolarHBondContact O-CB 3.17Å; N208-S521 PolarHBondContact O-N 2.6Å | ||
| 209 | V | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.4 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | V199 T202 L203 V211 C479 L480 I481 S521 I523 | V199-V209 HydrophobicContact CG2-CG1 4.2Å; T202-V209 HydrophobicContact CG2-CG2 3.57Å; L203-V209 HydrophobicContact CD2-CG2 4.3Å; L203-V209 HydrophobicContact CG-CG2 4.26Å; V209-V211 HydrophobicContact CG1-CG2 4.17Å; V209-C479 PolarHBondContact N-O 3.24Å; V209-L480 HydrophobicContact CB-CD1 3.66Å; V209-L480 HydrophobicContact CG1-CD1 3.55Å; V209-L480 CarbonylContact O-C 3.58Å; V209-I481 PolarHBondContact O-N 3.33Å; V209-S521 CarbonylContact C-O 3.49Å; V209-S521 WeakPolarHBondContact CA-O 3.42Å; V209-I523 HydrophobicContact CG1-CD1 3.78Å; V209-I523 HydrophobicContact CG1-CG1 4.22Å |
| 210 | L | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.6 | 170.8 | 176.5 | 65.3 | 0 | 0 | 0 | 109.7 | P212 I481 A483 L496 T497 L500 S521 I522 I523 | L210-P212 HydrophobicContact CG-CG 4.3Å; L210-I481 CarbonylContact C-O 3.42Å; L210-I481 WeakPolarHBondContact CA-O 3.43Å; L210-I481 HydrophobicContact CD1-CB 4.13Å; L210-I481 HydrophobicContact CD1-CG2 4.02Å; L210-A483 HydrophobicContact CD1-CB 3.95Å; L210-L496 HydrophobicContact CD1-CB 4.06Å; L210-L496 HydrophobicContact CD1-CD1 3.84Å; L210-L496 HydrophobicContact CD2-CB 3.74Å; L210-T497 WeakPolarHBondContact CD2-OG1 3.44Å; L210-L500 HydrophobicContact CB-CD1 3.55Å; L210-L500 HydrophobicContact CD2-CD1 4.04Å; L210-L500 HydrophobicContact CG-CD1 4.38Å; L210-S521 PolarHBondContact N-O 3.31Å; L210-I522 HydrophobicContact CB-CG1 4.25Å; L210-I522 HydrophobicContact CD2-CG1 4.38Å; L210-I522 HydrophobicContact CD2-CG2 4.45Å; L210-I522 CarbonylContact O-C 3.52Å; L210-I522 WeakPolarHBondContact O-CA 3.39Å; L210-I523 PolarHBondContact O-N 2.86Å |
| 211 | V | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 99.6 | 173 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | F195 V209 S213 L480 I481 F482 A483 I523 I525 | F195-V211 HydrophobicContact CE2-CG1 4.43Å; F195-V211 HydrophobicContact CE2-CG2 3.87Å; F195-V211 HydrophobicContact CZ-CG2 4.44Å; V209-V211 HydrophobicContact CG1-CG2 4.17Å; V211-S213 PolarHBondContact O-N 3.34Å; V211-L480 HydrophobicContact CG2-CD1 3.88Å; V211-I481 PolarHBondContact N-O 3.25Å; V211-F482 HydrophobicContact CB-CD1 3.57Å; V211-F482 HydrophobicContact CB-CE1 3.74Å; V211-F482 HydrophobicContact CB-CG 4.42Å; V211-F482 HydrophobicContact CG1-CD1 3.77Å; V211-F482 HydrophobicContact CG1-CE1 3.75Å; V211-F482 HydrophobicContact CG2-CD1 4.2Å; V211-F482 HydrophobicContact CG2-CE1 3.94Å; V211-F482 HydrophobicContact CG2-CZ 4.46Å; V211-F482 WeakPolarHBondContact O-CA 3.33Å; V211-A483 PolarHBondContact O-N 3.4Å; V211-A483 VanDerWaalsContact O-N 3.13Å; V211-I523 HydrophobicContact CG2-CB 4.42Å; V211-I525 HydrophobicContact CG1-CD1 3.76Å; V211-I525 HydrophobicContact CG1-CG1 3.92Å; V211-I525 HydrophobicContact CG1-CG2 4.08Å |
| 212 | P | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 120.2 | 168.9 | -19.2 | 34.6 | 0 | 0 | 0 | 108.9 | L210 H485 L488 I522 I523 L524 I525 | L210-P212 HydrophobicContact CG-CG 4.3Å; P212-H485 VanDerWaalsContact CA-CD2 3.41Å; P212-H485 WeakPolarHBondContact CA-CD2 3.45Å; P212-H485 WeakPolarHBondContact CB-CD2 3.34Å; P212-H485 WeakPolarHBondContact CB-NE2 3.48Å; P212-H485 PolarHBondContact O-NE2 3.38Å; P212-L488 HydrophobicContact CB-CD1 3.52Å; P212-L488 HydrophobicContact CG-CD1 3.74Å; P212-I522 HydrophobicContact CG-CG2 4.29Å; P212-I523 VanDerWaalsContact CD-O 3.25Å; P212-I523 WeakPolarHBondContact CD-O 3.39Å; P212-L524 HydrophobicContact CG-CD2 4.12Å; P212-I525 WeakPolarHBondContact O-CG1 3.43Å |
| 213 | S | 92 | Very high | 91.7 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.007 | 6% | 0.064 | C | C | . | . | trans | -150.8 | 143.8 | -178.3 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | V211 A483 S484 H485 | V211-S213 PolarHBondContact O-N 3.34Å; S213-A483 PolarHBondContact N-O 3.3Å; S213-S484 VanDerWaalsContact O-CA 3.27Å; S213-S484 WeakPolarHBondContact O-CA 3.14Å; S213-H485 PolarHBondContact N-CD2 3.15Å; S213-H485 PolarHBondContact N-NE2 3Å | ||
| 214 | N | 90.2 | Very high | 91.7 | Very high | 25 Ų | 25 | 11.9 Ų | 11.9 | 13% | 0.134 | 7% | 0.073 | C | C | . | . | trans | -61.1 | 152.1 | 167 | -73.4 | -62.3 | 0 | 0 | 0 | 111.7 | L49 S216 H485 E526 | L49-N214 HydrophobicContact CD2-CB 4.05Å; N214-S216 PolarHBondContact O-N 3.26Å; N214-H485 PolarHBondContact OD1-O 3.44Å; N214-H485 VanDerWaalsContact OD1-O 3.12Å; N214-E526 WeakPolarHBondContact CB-OE2 3.39Å; N214-E526 PolarHBondContact N-OE2 3.14Å; N214-E526 PolarHBondContact ND2-OE2 3.37Å | ||
| 215 | P | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -72.2 | 6 | -177.1 | 29.6 | -36 | 0 | 0 | 0 | 114.4 | I48 L49 F334 S336 S342 | I48-P215 HydrophobicContact CG2-CB 4.32Å; I48-P215 HydrophobicContact CG2-CG 3.74Å; L49-P215 HydrophobicContact CD2-CG 4.15Å; P215-F334 HydrophobicContact CB-CE2 4.46Å; P215-F334 HydrophobicContact CB-CZ 4.29Å; P215-S336 WeakPolarHBondContact CB-OG 3.41Å; P215-S342 VanDerWaalsContact O-CB 3.31Å; P215-S342 WeakPolarHBondContact O-CB 3.41Å; P215-S342 PolarHBondContact O-OG 3.05Å |
| 216 | S | 90 | Very high | 92 | Very high | 15 Ų | 15 | 10 Ų | 10 | 11% | 0.105 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -145 | 152.9 | -176.8 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | F45 N214 | F45-S216 WeakPolarHBondContact CD1-OG 3.44Å; F45-S216 WeakPolarHBondContact CG-OG 3.38Å; N214-S216 PolarHBondContact O-N 3.26Å |
| 217 | G | 89.3 | Confident | 92.2 | Very high | 17 Ų | 17 | 9.1 Ų | 9.1 | 18% | 0.175 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 105.8 | -136.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H160 I219 F220 | H160-G217 PolarHBondContact CE1-O 3.07Å; G217-I219 PolarHBondContact O-N 3.11Å; G217-F220 WeakPolarHBondContact O-CD2 3.24Å; G217-F220 PolarHBondContact O-N 3.29Å |
| 218 | I | 88.4 | Confident | 92.4 | Very high | 23 Ų | 23 | 13 Ų | 13 | 12% | 0.118 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.5 | -176.1 | -161.1 | 170 | 0 | 0 | 0 | 113.7 | F220 D221 L222 M589 | I218-F220 PolarHBondContact O-N 3.33Å; I218-F220 VanDerWaalsContact O-N 3.12Å; I218-D221 PolarHBondContact O-N 3.43Å; I218-L222 HydrophobicContact CG1-CG 4.39Å; I218-L222 HydrophobicContact CG2-CD1 4.21Å; I218-L222 PolarHBondContact O-N 3.08Å; I218-M589 HydrophobicContact CD1-CB 4.32Å; I218-M589 WeakPolarHBondContact CD1-O 3.42Å |
| 219 | I | 92.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -52.6 | -33 | 175.1 | -174.3 | 54.9 | 0 | 0 | 0 | 112.8 | G217 L222 L223 F334 F482 | G217-I219 PolarHBondContact O-N 3.11Å; I219-L222 PolarHBondContact O-N 3.34Å; I219-L223 HydrophobicContact CD1-CD1 4.42Å; I219-L223 HydrophobicContact CD1-CG 4.13Å; I219-L223 HydrophobicContact CG1-CD1 4.09Å; I219-L223 HydrophobicContact CG1-CG 4.32Å; I219-L223 WeakPolarHBondContact O-CB 3.44Å; I219-L223 VanDerWaalsContact O-CG 3.28Å; I219-L223 WeakPolarHBondContact O-CG 3.01Å; I219-L223 PolarHBondContact O-N 3.12Å; I219-F334 HydrophobicContact CG1-CE1 4.26Å; I219-F334 HydrophobicContact CG1-CZ 3.92Å; I219-F482 HydrophobicContact CD1-CB 4.2Å; I219-F482 HydrophobicContact CD1-CD1 3.13Å; I219-F482 HydrophobicContact CD1-CE1 3.45Å; I219-F482 VanDerWaalsContact CD1-CE1 3.45Å; I219-F482 HydrophobicContact CD1-CG 3.72Å; I219-F482 HydrophobicContact CD1-CZ 4.3Å |
| 220 | F | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 178.9 | -57 | -41.3 | 0 | 0 | 0 | 112.1 | F45 I134 H160 G217 I218 E224 L343 F368 F370 | F45-F220 HydrophobicContact CE1-CE2 4.14Å; F45-F220 AromaticContact CE1-CZ 3.96Å; F45-F220 HydrophobicContact CE1-CZ 3.96Å; F45-F220 HydrophobicContact CZ-CE2 4.2Å; F45-F220 HydrophobicContact CZ-CZ 4.38Å; I134-F220 HydrophobicContact CD1-CD2 4.19Å; I134-F220 HydrophobicContact CD1-CE2 4.01Å; H160-F220 AromaticContact NE2-CD2 3.68Å; G217-F220 WeakPolarHBondContact O-CD2 3.24Å; G217-F220 PolarHBondContact O-N 3.29Å; I218-F220 PolarHBondContact O-N 3.33Å; I218-F220 VanDerWaalsContact O-N 3.12Å; F220-E224 PolarHBondContact O-N 3.42Å; F220-L343 HydrophobicContact CE1-CD2 4.35Å; F220-F368 HydrophobicContact CB-CD1 4.41Å; F220-F368 HydrophobicContact CB-CE1 3.84Å; F220-F368 HydrophobicContact CB-CZ 4.22Å; F220-F370 HydrophobicContact CB-CE2 4.29Å; F220-F370 HydrophobicContact CB-CZ 3.91Å; F220-F370 AromaticContact CD1-CE2 3.75Å; F220-F370 HydrophobicContact CD1-CE2 3.75Å; F220-F370 AromaticContact CD1-CZ 3.94Å; F220-F370 HydrophobicContact CD1-CZ 3.94Å; F220-F370 HydrophobicContact CE1-CE2 4.47Å; F220-F370 HydrophobicContact CG-CE2 4.24Å; F220-F370 HydrophobicContact CG-CZ 4.29Å |
| 221 | D | 91.8 | Very high | 92 | Very high | 18 Ų | 18 | 17 Ų | 17 | 10% | 0.096 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 174.6 | -58.8 | -49 | 0 | 0 | 0 | 111.3 | H160 I218 L223 E224 T225 | H160-D221 WeakPolarHBondContact CB-OD1 2.98Å; H160-D221 IonicContact CE1-OD1 3.75Å; H160-D221 IonicContact CE1-OD2 3.07Å; H160-D221 PolarHBondContact CE1-OD2 3.5Å; H160-D221 VanDerWaalsContact CE1-OD2 3.31Å; H160-D221 IonicContact CG-OD1 3.96Å; H160-D221 IonicContact CG-OD2 2.82Å; H160-D221 PolarHBondContact N-OD1 3.36Å; H160-D221 IonicContact ND1-OD1 2.95Å; H160-D221 PolarHBondContact ND1-OD1 3.5Å; H160-D221 IonicContact ND1-OD2 2.65Å; H160-D221 PolarHBondContact ND1-OD2 3Å; I218-D221 PolarHBondContact O-N 3.43Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.84Å; D221-E224 PolarHBondContact O-N 3.13Å; D221-T225 WeakPolarHBondContact O-CB 3.02Å; D221-T225 PolarHBondContact O-N 3.17Å; D221-T225 PolarHBondContact O-OG1 3.46Å |
| 222 | L | 92.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.7 | -35 | -179.2 | -66.8 | 179.4 | 0 | 0 | 0 | 112.5 | F195 I218 I219 A226 I525 M589 | F195-L222 HydrophobicContact CD1-CD2 4.16Å; F195-L222 HydrophobicContact CE1-CB 4.37Å; F195-L222 HydrophobicContact CE1-CD2 4.09Å; F195-L222 HydrophobicContact CZ-CB 4.43Å; I218-L222 HydrophobicContact CG1-CG 4.39Å; I218-L222 HydrophobicContact CG2-CD1 4.21Å; I218-L222 PolarHBondContact O-N 3.08Å; I219-L222 PolarHBondContact O-N 3.34Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 3.33Å; L222-I525 HydrophobicContact CD1-CD1 3.42Å; L222-I525 VanDerWaalsContact CD1-CD1 3.42Å; L222-I525 HydrophobicContact CD1-CG2 4.41Å; L222-M589 HydrophobicContact CD1-SD 4.07Å; L222-M589 HydrophobicContact CD2-CE 4.29Å; L222-M589 HydrophobicContact CD2-SD 3.73Å |
| 223 | L | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -50.4 | 173.8 | -80.8 | 166.7 | 0 | 0 | 0 | 111.3 | I219 D221 I227 I332 F334 L343 F370 L379 F482 | I219-L223 HydrophobicContact CD1-CD1 4.42Å; I219-L223 HydrophobicContact CD1-CG 4.13Å; I219-L223 HydrophobicContact CG1-CD1 4.09Å; I219-L223 HydrophobicContact CG1-CG 4.32Å; I219-L223 WeakPolarHBondContact O-CB 3.44Å; I219-L223 VanDerWaalsContact O-CG 3.28Å; I219-L223 WeakPolarHBondContact O-CG 3.01Å; I219-L223 PolarHBondContact O-N 3.12Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.84Å; L223-I227 WeakPolarHBondContact O-CD1 2.98Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.99Å; L223-I227 VanDerWaalsContact O-N 3.12Å; L223-I332 HydrophobicContact CD2-CG2 4.19Å; L223-F334 HydrophobicContact CD1-CD1 3.97Å; L223-F334 HydrophobicContact CD1-CE1 3.93Å; L223-L343 HydrophobicContact CD1-CD2 4.49Å; L223-F370 HydrophobicContact CB-CE1 4.07Å; L223-F370 HydrophobicContact CD1-CE1 4.22Å; L223-F370 HydrophobicContact CD1-CZ 4.49Å; L223-L379 HydrophobicContact CD2-CD1 4.23Å; L223-F482 HydrophobicContact CD2-CD2 3.56Å; L223-F482 HydrophobicContact CD2-CE2 3.47Å; L223-F482 VanDerWaalsContact CD2-CE2 3.47Å; L223-F482 HydrophobicContact CD2-CG 4.33Å; L223-F482 HydrophobicContact CD2-CZ 4.17Å; L223-F482 HydrophobicContact CG-CD2 4.5Å; L223-F482 HydrophobicContact CG-CE2 4.29Å |
| 224 | E | 91.6 | Very high | 91.4 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.7 | -69.8 | -170.2 | 155.8 | 0 | 0 | 111.4 | F220 D221 I227 Q228 K357 F370 | F220-E224 PolarHBondContact O-N 3.42Å; D221-E224 PolarHBondContact O-N 3.13Å; E224-I227 PolarHBondContact O-N 3.45Å; E224-Q228 WeakPolarHBondContact O-CB 3.24Å; E224-Q228 PolarHBondContact O-N 3.44Å; E224-K357 IonicContact OE1-NZ 2.95Å; E224-K357 PolarHBondContact OE1-NZ 3.3Å; E224-K357 IonicContact OE2-NZ 2.78Å; E224-K357 PolarHBondContact OE2-NZ 2.6Å; E224-F370 HydrophobicContact CG-CE1 4.17Å |
| 225 | T | 92.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.2 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | V192 C196 D221 I227 Q228 A229 | V192-T225 HydrophobicContact CG1-CG2 3.77Å; C196-T225 WeakPolarHBondContact SG-CG2 3.19Å; D221-T225 WeakPolarHBondContact O-CB 3.02Å; D221-T225 PolarHBondContact O-N 3.17Å; D221-T225 PolarHBondContact O-OG1 3.46Å; T225-I227 VanDerWaalsContact C-N 3.32Å; T225-I227 PolarHBondContact O-N 3.19Å; T225-Q228 PolarHBondContact O-N 3.09Å; T225-A229 WeakPolarHBondContact O-CB 3.44Å; T225-A229 PolarHBondContact O-N 2.83Å |
| 226 | A | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F195 L222 K230 L480 | F195-A226 HydrophobicContact CE1-CB 4.04Å; F195-A226 HydrophobicContact CZ-CB 4.37Å; L222-A226 WeakPolarHBondContact O-CB 3.5Å; L222-A226 PolarHBondContact O-N 3.33Å; A226-K230 VanDerWaalsContact O-CB 3.24Å; A226-K230 WeakPolarHBondContact O-CB 3.3Å; A226-K230 PolarHBondContact O-N 3.2Å; A226-L480 HydrophobicContact CB-CD2 3.82Å |
| 227 | I | 92.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 177 | -70.7 | 166 | 0 | 0 | 0 | 110.7 | L223 E224 T225 A229 K230 D231 I332 L373 | L223-I227 WeakPolarHBondContact O-CD1 2.98Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.99Å; L223-I227 VanDerWaalsContact O-N 3.12Å; E224-I227 PolarHBondContact O-N 3.45Å; T225-I227 VanDerWaalsContact C-N 3.32Å; T225-I227 PolarHBondContact O-N 3.19Å; I227-A229 PolarHBondContact O-N 3.11Å; I227-K230 WeakPolarHBondContact O-CB 3.48Å; I227-K230 PolarHBondContact O-N 3.07Å; I227-D231 WeakPolarHBondContact O-CB 3.47Å; I227-D231 PolarHBondContact O-N 3.38Å; I227-I332 HydrophobicContact CD1-CD1 4.02Å; I227-I332 HydrophobicContact CG1-CD1 3.29Å; I227-L373 HydrophobicContact CD1-CD1 3.29Å; I227-L373 HydrophobicContact CD1-CD2 4Å; I227-L373 HydrophobicContact CD1-CG 4.25Å; I227-L373 HydrophobicContact CG2-CD2 4.45Å |
| 228 | Q | 91.7 | Very high | 90.2 | Very high | 81 Ų | 81 | 38.5 Ų | 38.5 | 38% | 0.379 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.9 | -173.5 | 176.9 | 17.1 | 0 | 0 | 111.4 | E224 T225 K230 D231 N232 | E224-Q228 WeakPolarHBondContact O-CB 3.24Å; E224-Q228 PolarHBondContact O-N 3.44Å; T225-Q228 PolarHBondContact O-N 3.09Å; Q228-K230 VanDerWaalsContact C-N 3.34Å; Q228-K230 PolarHBondContact O-N 3.5Å; Q228-D231 PolarHBondContact O-N 3.21Å; Q228-N232 WeakPolarHBondContact CG-ND2 3.11Å; Q228-N232 VanDerWaalsContact O-CB 3.3Å; Q228-N232 WeakPolarHBondContact O-CB 3.46Å; Q228-N232 VanDerWaalsContact O-CG 3.29Å; Q228-N232 PolarHBondContact O-N 3.17Å; Q228-N232 PolarHBondContact O-ND2 3.35Å |
| 229 | A | 92.8 | Very high | 89.6 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C196 V200 T225 I227 N232 F233 | C196-A229 HydrophobicContact CB-CB 3.73Å; V200-A229 HydrophobicContact CG1-CB 4.03Å; T225-A229 WeakPolarHBondContact O-CB 3.44Å; T225-A229 PolarHBondContact O-N 2.83Å; I227-A229 PolarHBondContact O-N 3.11Å; A229-N232 PolarHBondContact O-N 3.18Å; A229-F233 PolarHBondContact O-N 2.92Å |
| 230 | K | 93.3 | Very high | 89 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 177.5 | -165.4 | -175.8 | 110.3 | -63.2 | 0 | 112.1 | A226 I227 Q228 V327 A328 S330 | A226-K230 VanDerWaalsContact O-CB 3.24Å; A226-K230 WeakPolarHBondContact O-CB 3.3Å; A226-K230 PolarHBondContact O-N 3.2Å; I227-K230 WeakPolarHBondContact O-CB 3.48Å; I227-K230 PolarHBondContact O-N 3.07Å; Q228-K230 VanDerWaalsContact C-N 3.34Å; Q228-K230 PolarHBondContact O-N 3.5Å; K230-V327 HydrophobicContact CB-CG1 4.37Å; K230-V327 WeakPolarHBondContact CD-O 3.39Å; K230-V327 WeakPolarHBondContact CE-O 3.44Å; K230-V327 HydrophobicContact CG-CG1 3.62Å; K230-V327 WeakPolarHBondContact CG-O 3.26Å; K230-A328 VanDerWaalsContact CE-C 3.46Å; K230-A328 WeakPolarHBondContact CE-O 3.38Å; K230-A328 PolarHBondContact NZ-O 2.96Å; K230-S330 WeakPolarHBondContact CE-O 3.07Å |
| 231 | D | 89.8 | Confident | 88.1 | Confident | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.1 | -25.9 | -178.4 | -71.1 | 2.2 | 0 | 0 | 0 | 111.9 | I227 Q228 K378 | I227-D231 WeakPolarHBondContact O-CB 3.47Å; I227-D231 PolarHBondContact O-N 3.38Å; Q228-D231 PolarHBondContact O-N 3.21Å; D231-K378 IonicContact OD1-NZ 3.97Å; D231-K378 IonicContact OD2-NZ 2.84Å; D231-K378 PolarHBondContact OD2-NZ 3.37Å |
| 232 | N | 90.8 | Very high | 86.6 | Confident | 106 Ų | 106 | 46.7 Ų | 46.7 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6.2 | 178.7 | -67.9 | -28.3 | 0 | 0 | 0 | 114.9 | Q228 A229 N234 | Q228-N232 WeakPolarHBondContact CG-ND2 3.11Å; Q228-N232 VanDerWaalsContact O-CB 3.3Å; Q228-N232 WeakPolarHBondContact O-CB 3.46Å; Q228-N232 VanDerWaalsContact O-CG 3.29Å; Q228-N232 PolarHBondContact O-N 3.17Å; Q228-N232 PolarHBondContact O-ND2 3.35Å; A229-N232 PolarHBondContact O-N 3.18Å; N232-N234 PolarHBondContact O-N 3.43Å; N232-N234 PolarHBondContact O-OD1 2.67Å |
| 233 | F | 91.1 | Very high | 84.8 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | trans | -70.4 | 115.8 | -175.4 | -179.8 | -116.7 | 0 | 0 | 0 | 112.4 | V200 A204 A229 G235 T236 V327 | V200-F233 HydrophobicContact CB-CB 4.39Å; V200-F233 HydrophobicContact CB-CD2 3.71Å; V200-F233 HydrophobicContact CB-CE2 4.17Å; V200-F233 HydrophobicContact CB-CG 4.06Å; V200-F233 HydrophobicContact CG1-CB 4.35Å; V200-F233 HydrophobicContact CG1-CD2 4.43Å; V200-F233 HydrophobicContact CG2-CD2 3.59Å; V200-F233 HydrophobicContact CG2-CE2 3.83Å; V200-F233 HydrophobicContact CG2-CG 4.43Å; A204-F233 HydrophobicContact CB-CE1 3.73Å; A204-F233 HydrophobicContact CB-CZ 3.83Å; A229-F233 PolarHBondContact O-N 2.92Å; F233-G235 VanDerWaalsContact CE1-CA 3.41Å; F233-G235 PolarHBondContact O-N 3.25Å; F233-T236 WeakPolarHBondContact CE2-O 3.35Å; F233-T236 WeakPolarHBondContact CZ-O 3.38Å; F233-V327 HydrophobicContact CB-CG1 4.09Å; F233-V327 HydrophobicContact CD1-CB 3.89Å; F233-V327 HydrophobicContact CD1-CG1 4.07Å; F233-V327 HydrophobicContact CD1-CG2 3.73Å; F233-V327 HydrophobicContact CE1-CG2 3.88Å; F233-V327 HydrophobicContact CG-CG1 4.27Å | ||
| 234 | N | 86.9 | Confident | 82.8 | Confident | 141 Ų | 141 | 56.6 Ų | 56.6 | 75% | 0.754 | 30% | 0.302 | S | S | * | . | trans | -71.5 | 4.9 | -176.8 | -69 | -13 | 0 | 0 | 0 | 115.2 | N232 T236 | N232-N234 PolarHBondContact O-N 3.43Å; N232-N234 PolarHBondContact O-OD1 2.67Å; N234-T236 VanDerWaalsContact C-N 3.27Å; N234-T236 PolarHBondContact O-N 3.43Å | ||
| 235 | G | 83 | Confident | 80.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | trans | 78.5 | 3.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F233 I237 | F233-G235 VanDerWaalsContact CE1-CA 3.41Å; F233-G235 PolarHBondContact O-N 3.25Å; G235-I237 PolarHBondContact O-N 3.12Å | ||
| 236 | T | 85.4 | Confident | 77.3 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | trans | -77.7 | 110.2 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | Q201 F233 N234 L238 | Q201-T236 PolarHBondContact NE2-O 3.12Å; F233-T236 WeakPolarHBondContact CE2-O 3.35Å; F233-T236 WeakPolarHBondContact CZ-O 3.38Å; N234-T236 VanDerWaalsContact C-N 3.27Å; N234-T236 PolarHBondContact O-N 3.43Å; T236-L238 HydrophobicContact CG2-CD2 4.33Å; T236-L238 HydrophobicContact CG2-CG 4.35Å | ||
| 237 | I | 84 | Confident | 74.3 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 33% | 0.328 | 38% | 0.379 | S | S | . | . | trans | -88.3 | 123.3 | 177.9 | -54.5 | -176.2 | 0 | 0 | 0 | 109.4 | A204 H205 G235 | A204-I237 HydrophobicContact CB-CD1 4.4Å; A204-I237 HydrophobicContact CB-CG1 4.13Å; H205-I237 WeakPolarHBondContact CE1-CG2 3.36Å; H205-I237 WeakPolarHBondContact NE2-CG2 3.45Å; G235-I237 PolarHBondContact O-N 3.12Å | ||
| 238 | L | 82.8 | Confident | 71.3 | Confident | 81 Ų | 81 | 75 Ų | 75 | 42% | 0.424 | 41% | 0.413 | S | S | . | . | trans | -112.9 | 147.9 | 178.6 | -67.7 | 172.2 | 0 | 0 | 0 | 110.2 | Q201 H205 T236 L240 | Q201-L238 PolarHBondContact OE1-O 2.79Å; H205-L238 PolarHBondContact CE1-O 3.13Å; H205-L238 VanDerWaalsContact CE1-O 3.22Å; T236-L238 HydrophobicContact CG2-CD2 4.33Å; T236-L238 HydrophobicContact CG2-CG 4.35Å; L238-L240 PolarHBondContact O-N 3.45Å | ||
| 239 | P | 76.3 | Confident | 68.1 | Low | 83 Ų | 83 | 74.2 Ų | 74.2 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | trans | -66.3 | 106.4 | 178.6 | 27 | -33.2 | 0 | 0 | 0 | 110.2 | N244 | P239-N244 HydrophobicContact CB-CB 3.95Š| ||
| 240 | L | 78.8 | Confident | 65.1 | Low | 27 Ų | 27 | 80.2 Ų | 80.2 | 14% | 0.141 | 46% | 0.456 | C | S | . | . | trans | -92.7 | -45 | 178.5 | -176.7 | 66.6 | 0 | 0 | 0 | 112 | I198 Q201 T202 L238 Y585 | I198-L240 HydrophobicContact CG1-CD1 4.2Å; I198-L240 HydrophobicContact CG2-CD2 4.32Å; Q201-L240 HydrophobicContact CB-CB 4.39Å; Q201-L240 HydrophobicContact CB-CD2 4Å; T202-L240 WeakPolarHBondContact OG1-CD2 3.33Å; L238-L240 PolarHBondContact O-N 3.45Å; L240-Y585 WeakPolarHBondContact CG-OH 3.33Å | ||
| 241 | F | 75.5 | Confident | 61.9 | Low | 10 Ų | 10 | 87.8 Ų | 87.8 | 4% | 0.044 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -90.4 | 146.1 | -175.4 | -53.5 | -70.6 | 0 | 0 | 0 | 112.1 | T202 H243 N244 H519 | T202-F241 HydrophobicContact CG2-CZ 4.36Å; F241-H243 PolarHBondContact O-N 3.08Å; F241-H243 VanDerWaalsContact O-N 3.11Å; F241-N244 WeakPolarHBondContact O-CB 3.44Å; F241-N244 PolarHBondContact O-N 3.14Å; F241-H519 HydrophobicContact CD1-CB 4.37Å; F241-H519 AromaticContact CD1-CE1 3.77Å; F241-H519 AromaticContact CD1-CG 3.84Å; F241-H519 AromaticContact CD1-ND1 3.27Å; F241-H519 VanDerWaalsContact CD1-ND1 3.27Å; F241-H519 WeakPolarHBondContact CD1-ND1 3.3Å; F241-H519 HydrophobicContact CD2-CB 3.87Å; F241-H519 HydrophobicContact CE1-CB 4.22Å; F241-H519 AromaticContact CE1-CE1 3.97Å; F241-H519 AromaticContact CE1-CG 3.9Å; F241-H519 AromaticContact CE1-ND1 3.16Å; F241-H519 WeakPolarHBondContact CE1-ND1 3.47Å; F241-H519 HydrophobicContact CE2-CB 3.72Å; F241-H519 HydrophobicContact CG-CB 4.2Å; F241-H519 AromaticContact CG-CG 3.96Å; F241-H519 AromaticContact CG-ND1 3.88Å; F241-H519 HydrophobicContact CZ-CB 3.89Å; F241-H519 AromaticContact CZ-ND1 3.69Å; F241-H519 WeakPolarHBondContact CZ-O 3.35Å |
| 242 | M | 59.4 | Low | 59.2 | Low | 94 Ų | 94 | 90.9 Ų | 90.9 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -54 | -32.8 | -178.2 | -77.9 | -81.5 | 118.9 | 0 | 0 | 113.7 | N244 R245 | M242-N244 PolarHBondContact O-N 2.95Å; M242-R245 PolarHBondContact O-N 3.27Å |
| 243 | H | 55.1 | Low | 56.3 | Low | 144 Ų | 144 | 92.5 Ų | 92.5 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -68.2 | -14.1 | 177.5 | -62.4 | -55.2 | 0 | 0 | 0 | 114.3 | F241 | F241-H243 PolarHBondContact O-N 3.08Å; F241-H243 VanDerWaalsContact O-N 3.11Å |
| 244 | N | 51 | Low | 53.3 | Low | 67 Ų | 67 | 99.5 Ų | 99.5 | 36% | 0.358 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -93.8 | 1.3 | -179.4 | -66.6 | -9 | 0 | 0 | 0 | 113.2 | P239 F241 M242 P246 | P239-N244 HydrophobicContact CB-CB 3.95Å; F241-N244 WeakPolarHBondContact O-CB 3.44Å; F241-N244 PolarHBondContact O-N 3.14Å; M242-N244 PolarHBondContact O-N 2.95Å; N244-P246 WeakPolarHBondContact O-CD 3.29Å |
| 245 | R | 39.9 | Very low | 50.6 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 54% | 0.536 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -78.7 | 121 | 169.3 | -80.3 | -175.1 | -179.1 | 172.7 | 2.7 | 109.1 | M242 S247 | M242-R245 PolarHBondContact O-N 3.27Å; R245-S247 PolarHBondContact O-N 3.38Å |
| 246 | P | 29.6 | Very low | 47.9 | Very low | 94 Ų | 94 | 108.3 Ų | 108.3 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | trans | -59.4 | 118 | 176.9 | 21.6 | -29.3 | 0 | 0 | 0 | 109.1 | N244 S248 I313 | N244-P246 WeakPolarHBondContact O-CD 3.29Å; P246-S248 PolarHBondContact O-N 3Å; P246-S248 VanDerWaalsContact O-N 3.13Å; P246-I313 HydrophobicContact CG-CG2 3.92Å | ||
| 247 | S | 30.3 | Very low | 45.3 | Very low | 116 Ų | 116 | 111.8 Ų | 111.8 | 81% | 0.811 | 61% | 0.613 | S | S | * | * | trans | -60.1 | 115.2 | 170.9 | 38 | 0 | 0 | 0 | 0 | 108.2 | R245 G249 | R245-S247 PolarHBondContact O-N 3.38Å; S247-G249 VanDerWaalsContact C-N 3.26Å; S247-G249 PolarHBondContact O-N 3.47Å | ||
| 248 | S | 29.5 | Very low | 42.5 | Very low | 109 Ų | 109 | 114.1 Ų | 114.1 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | trans | -63.2 | 92.5 | 166.4 | 169.9 | 0 | 0 | 0 | 0 | 107.8 | P246 N250 | P246-S248 PolarHBondContact O-N 3Å; P246-S248 VanDerWaalsContact O-N 3.13Å; S248-N250 PolarHBondContact O-N 3.31Å | ||
| 249 | G | 26 | Very low | 39.9 | Very low | 65 Ų | 65 | 115.5 Ų | 115.5 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | trans | -63.6 | 113.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S247 | S247-G249 VanDerWaalsContact C-N 3.26Å; S247-G249 PolarHBondContact O-N 3.47Å | ||
| 250 | N | 28.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 118.2 Ų | 118.2 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | trans | -144.5 | 111.5 | 153.1 | -87.8 | -28.6 | 0 | 0 | 0 | 107.7 | S248 V252 | S248-N250 PolarHBondContact O-N 3.31Å; N250-V252 PolarHBondContact O-N 3.26Å | ||
| 251 | N | 26.5 | Very low | 35.2 | Very low | 165 Ų | 165 | 122.7 Ų | 122.7 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | trans | -55.4 | 120.8 | 159.7 | -60.7 | -48 | 0 | 0 | 0 | 108.5 | ||||
| 252 | V | 32.5 | Very low | 33 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -153.5 | 134 | 140.4 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | N250 | N250-V252 PolarHBondContact O-N 3.26Š| ||
| 253 | D | 30.8 | Very low | 31.4 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | -58.3 | 155.9 | -174.8 | -57.7 | -66 | 0 | 0 | 0 | 116.7 | ||||
| 254 | H | 27 | Very low | 30.1 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | 13.6 | 129.3 | 146.2 | -70.2 | -75.3 | 0 | 0 | 0 | 119.5 | ||||
| 255 | I | 31.4 | Very low | 28.8 | Very low | 165 Ų | 165 | 130 Ų | 130 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | -175.2 | 131.6 | 109.5 | -87.8 | 151.7 | 0 | 0 | 0 | 109.5 | |||||
| 256 | E | 26 | Very low | 28.3 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -57.9 | 145.9 | 171.6 | -61.9 | 166.9 | 142.7 | 0 | 0 | 112.3 | ||||
| 257 | N | 29.8 | Very low | 28.1 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | -175.3 | 153.7 | 122.7 | -96.9 | -32 | 0 | 0 | 0 | 114.2 | |||||
| 258 | T | 26.3 | Very low | 28 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -91.2 | 168.5 | -157 | -31.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 259 | T | 28.1 | Very low | 27.9 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | 86.4 | 120 | 147.5 | 53.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 260 | N | 29.7 | Very low | 28 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | 82 | 109.2 | 127.1 | -63.8 | -3.2 | 0 | 0 | 0 | 121.3 | |||||
| 261 | T | 25.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | 40.1 | 147.1 | 127.6 | 30.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 262 | T | 29.5 | Very low | 28.1 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | 96.7 | 100.4 | 151.8 | 20 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 263 | V | 25.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | 32.4 | 119 | 128.8 | -159.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 264 | S | 27.6 | Very low | 27.5 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 145.3 | 117.4 | 126.3 | -60 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 265 | S | 25.5 | Very low | 27.5 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 24.6 | 123.9 | 141.9 | 59.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 266 | S | 28.6 | Very low | 27.3 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 164.9 | 112.8 | 121.5 | 45.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 267 | T | 25.3 | Very low | 27.2 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | 66.9 | 111 | 105.8 | -26.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 268 | T | 28.4 | Very low | 27.2 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 166.2 | 110.1 | 120.5 | 35.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 269 | T | 26.2 | Very low | 27.1 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | 58.5 | 114.9 | 129.7 | 64 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 270 | T | 29.5 | Very low | 27.1 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | -156.9 | 127 | 122.2 | 36.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 271 | S | 26 | Very low | 26.9 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -63.6 | 155.7 | -179.2 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 272 | V | 31 | Very low | 26.7 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | 166.3 | 126.3 | 124 | 160 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 273 | G | 26.6 | Very low | 26.5 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 112.9 | 83.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 274 | T | 23.4 | Very low | 26.3 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -91.9 | 132.7 | 166.7 | -40.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 275 | M | 28.2 | Very low | 26.2 | Very low | 186 Ų | 186 | 135 Ų | 135 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -147.7 | 92.8 | 163.5 | -76.5 | -82 | 173.4 | 0 | 0 | 106.2 | ||||
| 276 | N | 26.2 | Very low | 26 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | 53.4 | 117.5 | 87.1 | -76.9 | 0.2 | 0 | 0 | 0 | 116.5 | |||||
| 277 | S | 24.9 | Very low | 25.9 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | 50.6 | 128.4 | 135.2 | 62.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 278 | H | 29.7 | Very low | 25.8 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | 175.2 | 94.7 | 121.3 | -86.2 | -57.9 | 0 | 0 | 0 | 108.7 | |||||
| 279 | S | 24.1 | Very low | 25.7 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | 56.8 | 96.5 | 98.2 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 280 | L | 27.3 | Very low | 25.8 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -131.2 | 133.3 | 139.3 | -86.3 | 173.6 | 0 | 0 | 0 | 109.6 | ||||
| 281 | Q | 25 | Very low | 25.7 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -76.1 | 155.9 | -160.1 | -70.2 | 161.4 | -51.1 | 0 | 0 | 112.8 | I283 | Q281-I283 PolarHBondContact O-N 2.72Š| ||
| 282 | R | 21.5 | Very low | 25.8 | Very low | 238 Ų | 238 | 135.7 Ų | 135.7 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -40.9 | 129.3 | 162.6 | -57.1 | 175 | -155.3 | -174.5 | 3.8 | 111.3 | ||||
| 283 | I | 25.2 | Very low | 26.3 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | trans | -123.4 | 119.8 | 137.4 | -61.9 | 179.1 | 0 | 0 | 0 | 105.7 | Q281 | Q281-I283 PolarHBondContact O-N 2.72Š| ||
| 284 | S | 21.3 | Very low | 26.6 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -70.5 | 127.9 | 174.1 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 285 | S | 27.1 | Very low | 27.5 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | -161.1 | 114.9 | 150.7 | 52.6 | 0 | 0 | 0 | 0 | 108.8 | S287 | S285-S287 PolarHBondContact O-N 2.91Š| ||
| 286 | D | 21.4 | Very low | 27.8 | Very low | 172 Ų | 172 | 119.5 Ų | 119.5 | 92% | 0.92 | 66% | 0.657 | S | S | * | * | trans | -54.3 | 120 | 171.2 | -62.1 | -51.6 | 0 | 0 | 0 | 111 | ||||
| 287 | S | 25.1 | Very low | 28.2 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | trans | -171.7 | 114.8 | 146.8 | 43.6 | 0 | 0 | 0 | 0 | 110.4 | S285 T289 | S285-S287 PolarHBondContact O-N 2.91Å; S287-T289 PolarHBondContact O-N 3.34Å | ||
| 288 | T | 23.1 | Very low | 28.4 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 91% | 0.914 | 66% | 0.655 | S | S | * | * | trans | -60.3 | 109.8 | 168.4 | 42 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 289 | T | 26.4 | Very low | 28.3 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | trans | -132.1 | 119.6 | 168.3 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | S287 | S287-T289 PolarHBondContact O-N 3.34Š| ||
| 290 | S | 27.7 | Very low | 28.3 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 55% | 0.552 | 67% | 0.672 | S | S | * | * | trans | -45.6 | 131.9 | 171 | -34.9 | 0 | 0 | 0 | 0 | 111 | E292 | S290-E292 PolarHBondContact O-N 2.96Å; S290-E292 VanDerWaalsContact O-N 3.09Å | ||
| 291 | I | 27.5 | Very low | 28.3 | Very low | 159 Ų | 159 | 120.7 Ų | 120.7 | 82% | 0.815 | 66% | 0.661 | S | S | * | * | trans | -76.7 | 96.3 | 173.8 | -61.2 | 171.7 | 0 | 0 | 0 | 106.9 | ||||
| 292 | E | 30.1 | Very low | 28.3 | Very low | 91 Ų | 91 | 117.9 Ų | 117.9 | 43% | 0.425 | 66% | 0.661 | S | S | . | * | trans | -83.1 | 128.1 | 169.1 | -65.7 | -171.4 | 162.2 | 0 | 0 | 109 | S290 R604 | S290-E292 PolarHBondContact O-N 2.96Å; S290-E292 VanDerWaalsContact O-N 3.09Å; E292-R604 IonicContact OE1-NH1 3.93Å | ||
| 293 | I | 40.3 | Very low | 28.4 | Very low | 51 Ų | 51 | 113 Ų | 113 | 26% | 0.262 | 65% | 0.651 | S | S | . | * | trans | -91.2 | 114.5 | -179.7 | -66.6 | 179.5 | 0 | 0 | 0 | 106.9 | L157 Y158 E189 | L157-I293 HydrophobicContact CD2-CB 4.17Å; L157-I293 HydrophobicContact CD2-CG2 4.07Å; Y158-I293 WeakPolarHBondContact CB-O 3.31Å; Y158-I293 PolarHBondContact N-O 3.18Å; E189-I293 HydrophobicContact CG-CG2 3.45Å; E189-I293 VanDerWaalsContact CG-CG2 3.45Å; E189-I293 WeakPolarHBondContact OE1-CG2 3.36Å | ||
| 294 | D | 33.1 | Very low | 28.3 | Very low | 85 Ų | 85 | 110.2 Ų | 110.2 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | B | Isolated β-bridge | trans | -93.9 | 104.4 | -169.1 | -172.6 | 6 | 0 | 0 | 0 | 111.7 | Y158 T296 | Y158-D294 WeakPolarHBondContact CD1-OD1 3.3Å; D294-T296 WeakPolarHBondContact OD1-CA 3.21Å; D294-T296 WeakPolarHBondContact OD1-CB 3.44Å; D294-T296 PolarHBondContact OD1-N 3.1Å; D294-T296 PolarHBondContact OD1-OG1 3.41Å |
| 295 | L | 41.3 | Very low | 28.6 | Very low | 28 Ų | 28 | 111.9 Ų | 111.9 | 15% | 0.147 | 64% | 0.642 | C | S | . | * | trans | -79.8 | -7.7 | 173 | -68.1 | 152.1 | 0 | 0 | 0 | 112.2 | L157 Y158 L188 V192 C297 | L157-L295 HydrophobicContact CB-CD1 4.05Å; Y158-L295 WeakPolarHBondContact O-CB 3.48Å; Y158-L295 PolarHBondContact O-N 3.17Å; L188-L295 HydrophobicContact CD2-CD1 3.81Å; L188-L295 HydrophobicContact CD2-CD2 4.3Å; L188-L295 HydrophobicContact CG-CD2 4.41Å; V192-L295 HydrophobicContact CG2-CD2 4.15Å; L295-C297 PolarHBondContact O-N 3.3Å; L295-C297 VanDerWaalsContact O-N 3.11Å | ||
| 296 | T | 36.1 | Very low | 28.3 | Very low | 27 Ų | 27 | 112.4 Ų | 112.4 | 17% | 0.166 | 64% | 0.642 | C | S | . | * | trans | -89.2 | 76.5 | -176.1 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | Y158 D294 N298 | Y158-T296 HydrophobicContact CD1-CG2 4.13Å; Y158-T296 HydrophobicContact CE1-CG2 4.2Å; D294-T296 WeakPolarHBondContact OD1-CA 3.21Å; D294-T296 WeakPolarHBondContact OD1-CB 3.44Å; D294-T296 PolarHBondContact OD1-N 3.1Å; D294-T296 PolarHBondContact OD1-OG1 3.41Å; T296-N298 VanDerWaalsContact C-N 3.3Å; T296-N298 PolarHBondContact O-N 3.03Å | ||
| 297 | C | 33.5 | Very low | 28.6 | Very low | 74 Ų | 74 | 109.7 Ų | 109.7 | 50% | 0.5 | 63% | 0.631 | S | S | . | * | trans | -69.4 | 76.7 | -177.6 | -52 | 0 | 0 | 0 | 0 | 112.7 | L295 | L295-C297 PolarHBondContact O-N 3.3Å; L295-C297 VanDerWaalsContact O-N 3.11Å | ||
| 298 | N | 29.4 | Very low | 28.5 | Very low | 149 Ų | 149 | 110.9 Ų | 110.9 | 80% | 0.797 | 64% | 0.635 | S | S | * | * | trans | -122.1 | 38.9 | 168.5 | -116.6 | 1.2 | 0 | 0 | 0 | 112 | T296 | T296-N298 VanDerWaalsContact C-N 3.3Å; T296-N298 PolarHBondContact O-N 3.03Å | ||
| 299 | R | 28.4 | Very low | 28.8 | Very low | 241 Ų | 241 | 109.7 Ų | 109.7 | 91% | 0.909 | 63% | 0.627 | S | S | * | * | trans | -137.3 | 118.2 | 165.7 | -114.9 | 179.3 | 178.7 | -156.3 | 0.4 | 113.1 | S301 | R299-S301 PolarHBondContact O-N 3.06Š| ||
| 300 | S | 24.7 | Very low | 28.7 | Very low | 130 Ų | 130 | 110.4 Ų | 110.4 | 91% | 0.909 | 63% | 0.632 | S | S | * | * | trans | -63.2 | 105.8 | 171.8 | -34.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 301 | S | 26.6 | Very low | 28.6 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | trans | -142.9 | 96 | 152.6 | 60.5 | 0 | 0 | 0 | 0 | 109.5 | R299 I303 | R299-S301 PolarHBondContact O-N 3.06Å; S301-I303 PolarHBondContact O-N 2.95Å | ||
| 302 | S | 24.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 109.8 Ų | 109.8 | 83% | 0.832 | 64% | 0.64 | S | S | * | * | trans | -52.3 | 112.7 | 161.4 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 303 | I | 25 | Very low | 28.3 | Very low | 136 Ų | 136 | 110.7 Ų | 110.7 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | trans | -124.4 | 111 | 156.7 | -58.8 | 179.1 | 0 | 0 | 0 | 106.4 | S301 I305 | S301-I303 PolarHBondContact O-N 2.95Å; I303-I305 PolarHBondContact O-N 3.3Å; I303-I305 VanDerWaalsContact O-N 3.14Å | ||
| 304 | P | 22.4 | Very low | 27.6 | Very low | 105 Ų | 105 | 113 Ų | 113 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | trans | -73.4 | 107.9 | 174.6 | 29.3 | -28.2 | 0 | 0 | 0 | 107.7 | T306 | P304-T306 VanDerWaalsContact C-N 3.32Å; P304-T306 PolarHBondContact O-N 2.87Å; P304-T306 PolarHBondContact O-OG1 2.89Å | ||
| 305 | I | 26.6 | Very low | 27.4 | Very low | 145 Ų | 145 | 117.4 Ų | 117.4 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | -69.4 | 98.3 | 169.9 | -60.7 | 178 | 0 | 0 | 0 | 107.2 | I303 T307 | I303-I305 PolarHBondContact O-N 3.3Å; I303-I305 VanDerWaalsContact O-N 3.14Å; I305-T307 VanDerWaalsContact CG2-OG1 3.29Å; I305-T307 WeakPolarHBondContact CG2-OG1 3.44Å; I305-T307 PolarHBondContact O-N 3.13Å | ||
| 306 | T | 22 | Very low | 26.7 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | -90.2 | 79.8 | 169.4 | -39.5 | 0 | 0 | 0 | 0 | 106.7 | P304 T308 | P304-T306 VanDerWaalsContact C-N 3.32Å; P304-T306 PolarHBondContact O-N 2.87Å; P304-T306 PolarHBondContact O-OG1 2.89Å; T306-T308 PolarHBondContact O-N 3.07Å | ||
| 307 | T | 27.1 | Very low | 26.3 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -92.5 | 93 | 166.5 | 12 | 0 | 0 | 0 | 0 | 108.9 | I305 T309 | I305-T307 VanDerWaalsContact CG2-OG1 3.29Å; I305-T307 WeakPolarHBondContact CG2-OG1 3.44Å; I305-T307 PolarHBondContact O-N 3.13Å; T307-T309 PolarHBondContact O-N 3.15Å | ||
| 308 | T | 24 | Very low | 26.3 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -59.8 | 97.6 | 167.5 | -48.5 | 0 | 0 | 0 | 0 | 109.2 | T306 | T306-T308 PolarHBondContact O-N 3.07Š| ||
| 309 | T | 28 | Very low | 26.4 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -125.3 | 100.8 | 158.1 | -33.2 | 0 | 0 | 0 | 0 | 107.3 | T307 A311 | T307-T309 PolarHBondContact O-N 3.15Å; T309-A311 PolarHBondContact O-N 3.2Å | ||
| 310 | T | 24.1 | Very low | 27.2 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -66.2 | 95.9 | -179.2 | -13.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 311 | A | 27.1 | Very low | 28.5 | Very low | 80 Ų | 80 | 116.6 Ų | 116.6 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | -118.6 | 103.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | T309 I313 | T309-A311 PolarHBondContact O-N 3.2Å; A311-I313 PolarHBondContact O-N 3.25Å | ||
| 312 | T | 23.6 | Very low | 30.6 | Very low | 144 Ų | 144 | 115.7 Ų | 115.7 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | trans | -62.4 | 95 | -178.5 | -27.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 313 | I | 27.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 111 Ų | 111 | 57% | 0.569 | 68% | 0.684 | S | S | * | * | trans | -124.2 | 121.7 | 167.3 | -59.6 | 178.8 | 0 | 0 | 0 | 106.8 | P246 A311 Q315 | P246-I313 HydrophobicContact CG-CG2 3.92Å; A311-I313 PolarHBondContact O-N 3.25Å; I313-Q315 PolarHBondContact O-N 2.78Å; I313-Q315 VanDerWaalsContact O-N 3.12Å | ||
| 314 | A | 24.8 | Very low | 35.5 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | trans | -54.5 | 113.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T316 | A314-T316 PolarHBondContact O-N 2.87Š| ||
| 315 | Q | 28.1 | Very low | 38.2 | Very low | 179 Ų | 179 | 102.6 Ų | 102.6 | 84% | 0.836 | 64% | 0.644 | S | S | * | * | trans | -76.8 | 109.5 | 173.6 | -71.5 | 174.9 | -16.9 | 0 | 0 | 109.4 | I313 T317 | I313-Q315 PolarHBondContact O-N 2.78Å; I313-Q315 VanDerWaalsContact O-N 3.12Å; Q315-T317 PolarHBondContact O-N 3.48Å; Q315-T317 VanDerWaalsContact O-N 3.17Å | ||
| 316 | T | 27.9 | Very low | 40.8 | Very low | 132 Ų | 132 | 98.8 Ų | 98.8 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | trans | -75.1 | 94.4 | 163.3 | 12 | 0 | 0 | 0 | 0 | 108.6 | A314 V318 | A314-T316 PolarHBondContact O-N 2.87Å; T316-V318 PolarHBondContact O-N 3.21Å | ||
| 317 | T | 27.3 | Very low | 43.9 | Very low | 133 Ų | 133 | 93.4 Ų | 93.4 | 82% | 0.816 | 59% | 0.592 | S | S | * | * | trans | -71.3 | 91.5 | 169.5 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | Q315 | Q315-T317 PolarHBondContact O-N 3.48Å; Q315-T317 VanDerWaalsContact O-N 3.17Å | ||
| 318 | V | 32.6 | Very low | 46.7 | Very low | 107 Ų | 107 | 89.8 Ų | 89.8 | 65% | 0.648 | 57% | 0.573 | S | S | * | * | trans | -97.1 | 117.7 | 166.8 | -105.5 | 0 | 0 | 0 | 0 | 108.7 | T316 S320 | T316-V318 PolarHBondContact O-N 3.21Å; V318-S320 PolarHBondContact O-N 3.49Å | ||
| 319 | S | 32.9 | Very low | 49.6 | Very low | 81 Ų | 81 | 93 Ų | 93 | 57% | 0.566 | 57% | 0.572 | S | S | * | * | trans | 8.9 | 95.9 | 167.4 | 53.2 | 0 | 0 | 0 | 0 | 116.8 | S321 | S319-S321 VanDerWaalsContact C-N 3.29Å; S319-S321 PolarHBondContact O-N 2.99Å | ||
| 320 | S | 43.7 | Very low | 52.4 | Low | 87 Ų | 87 | 87.2 Ų | 87.2 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.6 | -10.2 | -172.5 | 49.7 | 0 | 0 | 0 | 0 | 116.8 | V318 S324 | V318-S320 PolarHBondContact O-N 3.49Å; S320-S324 PolarHBondContact O-OG 2.81Å |
| 321 | S | 53.6 | Low | 55.5 | Low | 92 Ų | 92 | 82.1 Ų | 82.1 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -88.6 | -23.5 | -177.1 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | S319 S324 | S319-S321 VanDerWaalsContact C-N 3.29Å; S319-S321 PolarHBondContact O-N 2.99Å; S321-S324 PolarHBondContact O-OG 3.17Å |
| 322 | S | 68.9 | Low | 58.6 | Low | 78 Ų | 78 | 78.4 Ų | 78.4 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -78.5 | -39.3 | -174.9 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | L326 | S322-L326 WeakPolarHBondContact O-CB 3.46Å; S322-L326 PolarHBondContact O-N 3.18Å; S322-L326 VanDerWaalsContact O-N 3.11Å |
| 323 | S | 73.5 | Confident | 61.9 | Low | 20 Ų | 20 | 72 Ų | 72 | 14% | 0.14 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -79.7 | -35.4 | -172.6 | -46.9 | 0 | 0 | 0 | 0 | 112.9 | L326 V327 | S323-L326 WeakPolarHBondContact O-CB 3.32Å; S323-L326 PolarHBondContact O-N 3.07Å; S323-V327 WeakPolarHBondContact O-CG2 3.38Å; S323-V327 PolarHBondContact O-N 2.94Å |
| 324 | S | 78.4 | Confident | 65.1 | Low | 37 Ų | 37 | 66.7 Ų | 66.7 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 173.9 | 52 | 0 | 0 | 0 | 0 | 111.7 | S320 S321 L326 V327 A328 | S320-S324 PolarHBondContact O-OG 2.81Å; S321-S324 PolarHBondContact O-OG 3.17Å; S324-L326 VanDerWaalsContact C-N 3.33Å; S324-L326 PolarHBondContact O-N 2.87Å; S324-V327 PolarHBondContact O-N 3.3Å; S324-A328 VanDerWaalsContact O-CB 3.32Å; S324-A328 WeakPolarHBondContact O-CB 3.49Å; S324-A328 PolarHBondContact O-N 3.22Å |
| 325 | G | 79.1 | Confident | 68.4 | Low | 28 Ų | 28 | 62.1 Ų | 62.1 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R329 | G325-R329 WeakPolarHBondContact O-CB 3.41Å; G325-R329 WeakPolarHBondContact O-CD 3.4Å; G325-R329 VanDerWaalsContact O-CG 3.22Å; G325-R329 WeakPolarHBondContact O-CG 3.3Å; G325-R329 PolarHBondContact O-N 3.28Å |
| 326 | L | 81.6 | Confident | 71.5 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -53.3 | 174.5 | -174.9 | 74.3 | 0 | 0 | 0 | 110.9 | S322 S323 S324 R329 S330 P478 | S322-L326 WeakPolarHBondContact O-CB 3.46Å; S322-L326 PolarHBondContact O-N 3.18Å; S322-L326 VanDerWaalsContact O-N 3.11Å; S323-L326 WeakPolarHBondContact O-CB 3.32Å; S323-L326 PolarHBondContact O-N 3.07Å; S324-L326 VanDerWaalsContact C-N 3.33Å; S324-L326 PolarHBondContact O-N 2.87Å; L326-R329 PolarHBondContact O-N 2.72Å; L326-S330 PolarHBondContact O-N 3.17Å; L326-S330 VanDerWaalsContact O-N 3.11Å; L326-S330 PolarHBondContact O-OG 3.15Å; L326-P478 HydrophobicContact CD1-CG 4.07Å; L326-P478 HydrophobicContact CD2-CG 3.94Å; L326-P478 HydrophobicContact CG-CG 3.84Å |
| 327 | V | 87.7 | Confident | 74.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | V200 L203 A204 K230 F233 S323 S324 R329 S330 | V200-V327 HydrophobicContact CB-CG1 4.34Å; V200-V327 HydrophobicContact CG1-CG1 4.34Å; L203-V327 HydrophobicContact CB-CG1 4.46Å; L203-V327 HydrophobicContact CB-CG2 3.94Å; L203-V327 HydrophobicContact CD1-CG1 4.42Å; A204-V327 HydrophobicContact CB-CG2 3.77Å; K230-V327 HydrophobicContact CB-CG1 4.37Å; K230-V327 WeakPolarHBondContact CD-O 3.39Å; K230-V327 WeakPolarHBondContact CE-O 3.44Å; K230-V327 HydrophobicContact CG-CG1 3.62Å; K230-V327 WeakPolarHBondContact CG-O 3.26Å; F233-V327 HydrophobicContact CB-CG1 4.09Å; F233-V327 HydrophobicContact CD1-CB 3.89Å; F233-V327 HydrophobicContact CD1-CG1 4.07Å; F233-V327 HydrophobicContact CD1-CG2 3.73Å; F233-V327 HydrophobicContact CE1-CG2 3.88Å; F233-V327 HydrophobicContact CG-CG1 4.27Å; S323-V327 WeakPolarHBondContact O-CG2 3.38Å; S323-V327 PolarHBondContact O-N 2.94Å; S324-V327 PolarHBondContact O-N 3.3Å; V327-R329 PolarHBondContact O-N 2.86Å; V327-R329 VanDerWaalsContact O-N 3.13Å; V327-S330 WeakPolarHBondContact O-CB 3.36Å; V327-S330 PolarHBondContact O-N 3.26Å; V327-S330 VanDerWaalsContact O-N 3.08Å |
| 328 | A | 85.1 | Confident | 77.7 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -27.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | K230 S324 | K230-A328 VanDerWaalsContact CE-C 3.46Å; K230-A328 WeakPolarHBondContact CE-O 3.38Å; K230-A328 PolarHBondContact NZ-O 2.96Å; S324-A328 VanDerWaalsContact O-CB 3.32Å; S324-A328 WeakPolarHBondContact O-CB 3.49Å; S324-A328 PolarHBondContact O-N 3.22Å |
| 329 | R | 84.9 | Confident | 80.6 | Confident | 187 Ų | 187 | 39.7 Ų | 39.7 | 71% | 0.706 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -95.2 | -7.1 | 179.4 | -69.7 | 175.1 | 175 | 174.2 | -2 | 114.2 | G325 L326 V327 | G325-R329 WeakPolarHBondContact O-CB 3.41Å; G325-R329 WeakPolarHBondContact O-CD 3.4Å; G325-R329 VanDerWaalsContact O-CG 3.22Å; G325-R329 WeakPolarHBondContact O-CG 3.3Å; G325-R329 PolarHBondContact O-N 3.28Å; L326-R329 PolarHBondContact O-N 2.72Å; V327-R329 PolarHBondContact O-N 2.86Å; V327-R329 VanDerWaalsContact O-N 3.13Å |
| 330 | S | 87.9 | Confident | 83.5 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -58.9 | 124.2 | 178 | -73.9 | 0 | 0 | 0 | 0 | 110.9 | K230 L326 V327 P478 | K230-S330 WeakPolarHBondContact CE-O 3.07Å; L326-S330 PolarHBondContact O-N 3.17Å; L326-S330 VanDerWaalsContact O-N 3.11Å; L326-S330 PolarHBondContact O-OG 3.15Å; V327-S330 WeakPolarHBondContact O-CB 3.36Å; V327-S330 PolarHBondContact O-N 3.26Å; V327-S330 VanDerWaalsContact O-N 3.08Å; S330-P478 WeakPolarHBondContact CA-O 3.38Å; S330-P478 WeakPolarHBondContact CB-O 3.34Å; S330-P478 PolarHBondContact OG-O 3.11Å | ||
| 331 | P | 89.3 | Confident | 85.9 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | trans | -70.7 | 147.5 | 177.5 | 28.7 | -33.8 | 0 | 0 | 0 | 110.9 | F333 C479 L480 | P331-F333 HydrophobicContact CB-CE2 3.93Å; P331-F333 HydrophobicContact CB-CZ 4.19Å; P331-F333 HydrophobicContact CG-CE2 3.71Å; P331-F333 HydrophobicContact CG-CZ 4.15Å; P331-C479 HydrophobicContact CG-CB 3.88Å; P331-C479 WeakPolarHBondContact O-CA 3.4Å; P331-C479 WeakPolarHBondContact O-CB 3.01Å; P331-L480 PolarHBondContact O-N 3.14Å; P331-L480 VanDerWaalsContact O-N 3.09Å | ||
| 332 | I | 92.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.7 | 173 | -55.1 | 178.4 | 0 | 0 | 0 | 108.2 | L223 I227 K378 L379 V380 L480 F482 | L223-I332 HydrophobicContact CD2-CG2 4.19Å; I227-I332 HydrophobicContact CD1-CD1 4.02Å; I227-I332 HydrophobicContact CG1-CD1 3.29Å; I332-K378 PolarHBondContact N-O 2.86Å; I332-K378 VanDerWaalsContact N-O 3.07Å; I332-L379 HydrophobicContact CB-CD1 4.18Å; I332-L379 HydrophobicContact CG2-CD1 3.82Å; I332-L379 CarbonylContact O-C 3.48Å; I332-L379 WeakPolarHBondContact O-CA 3.38Å; I332-V380 PolarHBondContact O-N 2.97Å; I332-L480 CarbonylContact C-O 3.55Å; I332-L480 VanDerWaalsContact CA-O 3.3Å; I332-L480 WeakPolarHBondContact CA-O 3.29Å; I332-L480 HydrophobicContact CD1-CD2 4.33Å; I332-L480 HydrophobicContact CG1-CB 4.32Å; I332-L480 HydrophobicContact CG1-CD2 4.28Å; I332-L480 HydrophobicContact CG2-CD2 4.31Å; I332-L480 HydrophobicContact CG2-CG 4.34Å; I332-F482 HydrophobicContact CG2-CD2 3.93Å; I332-F482 HydrophobicContact CG2-CE2 3.95Å |
| 333 | F | 92.7 | Very high | 89.1 | Confident | 10 Ų | 10 | 30.5 Ų | 30.5 | 4% | 0.044 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.4 | 174.7 | -64.4 | -84.7 | 0 | 0 | 0 | 110.1 | P331 I335 V380 L382 P412 P475 C479 L480 I481 F482 | P331-F333 HydrophobicContact CB-CE2 3.93Å; P331-F333 HydrophobicContact CB-CZ 4.19Å; P331-F333 HydrophobicContact CG-CE2 3.71Å; P331-F333 HydrophobicContact CG-CZ 4.15Å; F333-I335 HydrophobicContact CB-CG1 4.42Å; F333-V380 WeakPolarHBondContact CA-O 3.24Å; F333-V380 HydrophobicContact CD1-CB 3.72Å; F333-V380 HydrophobicContact CD1-CG1 3.9Å; F333-V380 HydrophobicContact CD1-CG2 4.46Å; F333-V380 HydrophobicContact CE1-CB 3.91Å; F333-V380 HydrophobicContact CE1-CG1 3.93Å; F333-V380 HydrophobicContact CE1-CG2 4.24Å; F333-L382 HydrophobicContact CD1-CD1 3.85Å; F333-L382 HydrophobicContact CD1-CG 4.5Å; F333-L382 HydrophobicContact CE1-CD1 4.44Å; F333-P412 HydrophobicContact CE1-CG 4.36Å; F333-P475 HydrophobicContact CE2-CG 3.7Å; F333-P475 HydrophobicContact CZ-CG 3.85Å; F333-C479 HydrophobicContact CD2-CB 3.94Å; F333-C479 HydrophobicContact CE2-CB 3.74Å; F333-L480 PolarHBondContact N-O 3.32Å; F333-I481 HydrophobicContact CB-CG1 4.27Å; F333-I481 HydrophobicContact CB-CG2 4.3Å; F333-I481 HydrophobicContact CD2-CG1 4.2Å; F333-I481 WeakPolarHBondContact O-CA 3.36Å; F333-F482 PolarHBondContact O-N 3.2Å |
| 334 | F | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 110.5 | 170 | -168.5 | 178.3 | 0 | 0 | 0 | 109.2 | P215 I219 L223 V339 L343 L379 V380 A381 L382 F482 | P215-F334 HydrophobicContact CB-CE2 4.46Å; P215-F334 HydrophobicContact CB-CZ 4.29Å; I219-F334 HydrophobicContact CG1-CE1 4.26Å; I219-F334 HydrophobicContact CG1-CZ 3.92Å; L223-F334 HydrophobicContact CD1-CD1 3.97Å; L223-F334 HydrophobicContact CD1-CE1 3.93Å; F334-V339 HydrophobicContact CB-CG2 3.96Å; F334-V339 HydrophobicContact CD1-CG2 3.57Å; F334-V339 HydrophobicContact CD2-CG2 4.09Å; F334-V339 HydrophobicContact CE1-CG2 4.06Å; F334-V339 HydrophobicContact CG-CG2 3.59Å; F334-L343 HydrophobicContact CD1-CD1 4.41Å; F334-L343 HydrophobicContact CD1-CD2 4.23Å; F334-L343 HydrophobicContact CE1-CD2 4.02Å; F334-L343 HydrophobicContact CE1-CG 4.46Å; F334-L379 HydrophobicContact CB-CD1 4.16Å; F334-V380 PolarHBondContact N-O 2.94Å; F334-A381 WeakPolarHBondContact O-CA 3.4Å; F334-L382 PolarHBondContact O-N 3.34Å; F334-F482 CarbonylContact C-O 3.58Å; F334-F482 WeakPolarHBondContact CA-O 3.48Å; F334-F482 HydrophobicContact CD2-CB 3.93Å; F334-F482 HydrophobicContact CE2-CB 4.42Å; F334-F482 HydrophobicContact CG-CB 4.37Å |
| 335 | I | 93.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 108.7 | -171.4 | -48.3 | -179.2 | 0 | 0 | 0 | 109.3 | F333 L382 L385 L413 I481 F482 A483 S484 P492 L496 | F333-I335 HydrophobicContact CB-CG1 4.42Å; I335-L382 WeakPolarHBondContact CA-O 3.47Å; I335-L382 HydrophobicContact CD1-CD1 4.47Å; I335-L382 HydrophobicContact CG1-CB 4.32Å; I335-L382 HydrophobicContact CG1-CD1 4.32Å; I335-L385 HydrophobicContact CD1-CD2 3.8Å; I335-L385 HydrophobicContact CG2-CD2 4.41Å; I335-L413 HydrophobicContact CD1-CD1 3.74Å; I335-I481 HydrophobicContact CD1-CG2 3.7Å; I335-I481 HydrophobicContact CG1-CG2 4.21Å; I335-F482 PolarHBondContact N-O 2.91Å; I335-A483 HydrophobicContact CB-CB 4.43Å; I335-A483 WeakPolarHBondContact O-CA 3.46Å; I335-S484 PolarHBondContact O-N 2.74Å; I335-P492 HydrophobicContact CG2-CB 4.05Å; I335-P492 HydrophobicContact CG2-CG 4Å; I335-L496 HydrophobicContact CD1-CD1 4.08Å |
| 336 | S | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | trans | -162.1 | 143.1 | 171.6 | 165 | 0 | 0 | 0 | 0 | 108 | D52 P215 Q338 V339 L382 K383 | D52-S336 PolarHBondContact OD1-OG 2.98Å; P215-S336 WeakPolarHBondContact CB-OG 3.41Å; S336-Q338 PolarHBondContact O-N 3.31Å; S336-Q338 VanDerWaalsContact O-N 3.1Å; S336-Q338 PolarHBondContact OG-N 3.01Å; S336-V339 WeakPolarHBondContact O-CB 3.33Å; S336-V339 VanDerWaalsContact O-CG1 3.24Å; S336-V339 WeakPolarHBondContact O-CG1 3.41Å; S336-V339 PolarHBondContact O-N 3.04Å; S336-V339 VanDerWaalsContact O-N 3.09Å; S336-L382 PolarHBondContact N-O 2.75Å; S336-L382 VanDerWaalsContact N-O 3.08Å; S336-K383 CarbonylContact C-O 3.53Å; S336-K383 WeakPolarHBondContact O-CA 3.22Å | ||
| 337 | N | 92 | Very high | 92.2 | Very high | 49 Ų | 49 | 30.7 Ų | 30.7 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.3 | 177 | -174.6 | 39.7 | 0 | 0 | 0 | 111.9 | D52 C55 K383 | D52-N337 PolarHBondContact OD1-N 2.77Å; C55-N337 HydrophobicContact CB-CB 4.47Å; C55-N337 WeakPolarHBondContact CB-ND2 3.48Å; C55-N337 PolarHBondContact SG-ND2 3.31Å; N337-K383 WeakPolarHBondContact CA-O 3.49Å; N337-K383 PolarHBondContact N-O 2.93Å |
| 338 | Q | 93.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 14 | -178 | -60.3 | -59.5 | -28.1 | 0 | 0 | 114.1 | I48 D51 D52 S336 H340 V341 S342 | I48-Q338 HydrophobicContact CB-CB 4.35Å; I48-Q338 HydrophobicContact CG1-CB 4.32Å; I48-Q338 HydrophobicContact CG2-CB 3.72Å; I48-Q338 HydrophobicContact CG2-CG 4.36Å; D51-Q338 HydrophobicContact CB-CG 4.15Å; D52-Q338 HydrophobicContact CB-CG 4.25Å; S336-Q338 PolarHBondContact O-N 3.31Å; S336-Q338 VanDerWaalsContact O-N 3.1Å; S336-Q338 PolarHBondContact OG-N 3.01Å; Q338-H340 PolarHBondContact O-N 3.01Å; Q338-V341 PolarHBondContact O-N 3.26Å; Q338-S342 PolarHBondContact O-N 3.11Å |
| 339 | V | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55 | -47.7 | -173.4 | 63.1 | 0 | 0 | 0 | 0 | 113.7 | F334 S336 V341 S342 L343 A381 | F334-V339 HydrophobicContact CB-CG2 3.96Å; F334-V339 HydrophobicContact CD1-CG2 3.57Å; F334-V339 HydrophobicContact CD2-CG2 4.09Å; F334-V339 HydrophobicContact CE1-CG2 4.06Å; F334-V339 HydrophobicContact CG-CG2 3.59Å; S336-V339 WeakPolarHBondContact O-CB 3.33Å; S336-V339 VanDerWaalsContact O-CG1 3.24Å; S336-V339 WeakPolarHBondContact O-CG1 3.41Å; S336-V339 PolarHBondContact O-N 3.04Å; S336-V339 VanDerWaalsContact O-N 3.09Å; V339-V341 VanDerWaalsContact C-N 3.33Å; V339-V341 PolarHBondContact O-N 3.16Å; V339-S342 PolarHBondContact O-N 3.36Å; V339-L343 HydrophobicContact CG2-CD1 4.04Å; V339-L343 HydrophobicContact CG2-CG 4.44Å; V339-L343 WeakPolarHBondContact O-CG 3.42Å; V339-L343 PolarHBondContact O-N 3.26Å; V339-A381 HydrophobicContact CB-CB 4.48Å; V339-A381 HydrophobicContact CG1-CB 3.83Å; V339-A381 HydrophobicContact CG2-CB 3.77Å |
| 340 | H | 93.7 | Very high | 93.2 | Very high | 84 Ų | 84 | 23.9 Ų | 23.9 | 39% | 0.389 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -67.7 | -36.1 | -177.2 | -66.8 | -71 | 0 | 0 | 0 | 112.4 | Q338 A344 | Q338-H340 PolarHBondContact O-N 3.01Å; H340-A344 VanDerWaalsContact O-CB 3.27Å; H340-A344 WeakPolarHBondContact O-CB 3.28Å; H340-A344 PolarHBondContact O-N 3.3Å; H340-A344 VanDerWaalsContact O-N 3.1Å |
| 341 | V | 95 | Very high | 93.4 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 33% | 0.327 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.4 | -41.6 | 178.5 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | I48 Q338 V339 A344 Y345 | I48-V341 HydrophobicContact CD1-CG1 4.14Å; I48-V341 HydrophobicContact CG1-CG1 4.25Å; Q338-V341 PolarHBondContact O-N 3.26Å; V339-V341 VanDerWaalsContact C-N 3.33Å; V339-V341 PolarHBondContact O-N 3.16Å; V341-A344 PolarHBondContact O-N 2.92Å; V341-Y345 HydrophobicContact CG1-CD2 3.92Å; V341-Y345 HydrophobicContact CG1-CE1 4.23Å; V341-Y345 HydrophobicContact CG1-CE2 3.51Å; V341-Y345 HydrophobicContact CG1-CG 4.41Å; V341-Y345 WeakPolarHBondContact O-CB 3.47Å; V341-Y345 PolarHBondContact O-N 3.34Å |
| 342 | S | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 178 | -167.5 | 0 | 0 | 0 | 0 | 113.1 | P215 Q338 V339 A344 Y345 S346 | P215-S342 VanDerWaalsContact O-CB 3.31Å; P215-S342 WeakPolarHBondContact O-CB 3.41Å; P215-S342 PolarHBondContact O-OG 3.05Å; Q338-S342 PolarHBondContact O-N 3.11Å; V339-S342 PolarHBondContact O-N 3.36Å; S342-A344 VanDerWaalsContact C-N 3.26Å; S342-A344 PolarHBondContact O-N 3.45Å; S342-Y345 PolarHBondContact O-N 3.32Å; S342-S346 PolarHBondContact O-N 3.11Å |
| 343 | L | 94.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -29 | 177.2 | -63.7 | 175.8 | 0 | 0 | 0 | 112.7 | F220 L223 F334 V339 S346 F370 L374 L379 | F220-L343 HydrophobicContact CE1-CD2 4.35Å; L223-L343 HydrophobicContact CD1-CD2 4.49Å; F334-L343 HydrophobicContact CD1-CD1 4.41Å; F334-L343 HydrophobicContact CD1-CD2 4.23Å; F334-L343 HydrophobicContact CE1-CD2 4.02Å; F334-L343 HydrophobicContact CE1-CG 4.46Å; V339-L343 HydrophobicContact CG2-CD1 4.04Å; V339-L343 HydrophobicContact CG2-CG 4.44Å; V339-L343 WeakPolarHBondContact O-CG 3.42Å; V339-L343 PolarHBondContact O-N 3.26Å; L343-S346 PolarHBondContact O-OG 2.93Å; L343-F370 HydrophobicContact CB-CD2 4.45Å; L343-F370 HydrophobicContact CD2-CB 4.26Å; L343-F370 HydrophobicContact CD2-CD1 4.44Å; L343-F370 HydrophobicContact CD2-CD2 3.57Å; L343-F370 HydrophobicContact CD2-CE2 3.97Å; L343-F370 HydrophobicContact CD2-CG 3.85Å; L343-L374 HydrophobicContact CD1-CD1 4.17Å; L343-L379 HydrophobicContact CD1-CD2 4.26Å |
| 344 | A | 94.4 | Very high | 93.8 | Very high | 53 Ų | 53 | 28 Ų | 28 | 44% | 0.438 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -72.9 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H340 V341 S342 S346 N347 A348 | H340-A344 VanDerWaalsContact O-CB 3.27Å; H340-A344 WeakPolarHBondContact O-CB 3.28Å; H340-A344 PolarHBondContact O-N 3.3Å; H340-A344 VanDerWaalsContact O-N 3.1Å; V341-A344 PolarHBondContact O-N 2.92Å; S342-A344 VanDerWaalsContact C-N 3.26Å; S342-A344 PolarHBondContact O-N 3.45Å; A344-S346 PolarHBondContact O-N 3.33Å; A344-N347 PolarHBondContact O-N 3.33Å; A344-A348 WeakPolarHBondContact O-CB 3.27Å; A344-A348 PolarHBondContact O-N 2.81Å |
| 345 | Y | 95.3 | Very high | 93.8 | Very high | 65 Ų | 65 | 31.6 Ų | 31.6 | 26% | 0.255 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.8 | -33.9 | 178.8 | -73.4 | -12 | 0 | 0 | 0 | 113.3 | K44 I48 V341 S342 N347 A348 Y349 | K44-Y345 HydrophobicContact CB-CD2 3.76Å; K44-Y345 HydrophobicContact CB-CE2 3.61Å; K44-Y345 HydrophobicContact CD-CE2 4.37Å; K44-Y345 HydrophobicContact CG-CD2 4.48Å; K44-Y345 HydrophobicContact CG-CE2 4.1Å; I48-Y345 HydrophobicContact CD1-CD2 3.57Å; I48-Y345 HydrophobicContact CD1-CE2 4.08Å; V341-Y345 HydrophobicContact CG1-CD2 3.92Å; V341-Y345 HydrophobicContact CG1-CE1 4.23Å; V341-Y345 HydrophobicContact CG1-CE2 3.51Å; V341-Y345 HydrophobicContact CG1-CG 4.41Å; V341-Y345 WeakPolarHBondContact O-CB 3.47Å; V341-Y345 PolarHBondContact O-N 3.34Å; S342-Y345 PolarHBondContact O-N 3.32Å; Y345-N347 PolarHBondContact O-N 2.89Å; Y345-A348 PolarHBondContact O-N 3.22Å; Y345-A348 VanDerWaalsContact O-N 3.12Å; Y345-Y349 HydrophobicContact CD1-CE2 4.41Å; Y345-Y349 HydrophobicContact CG-CE2 4.22Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.37Å; Y345-Y349 PolarHBondContact O-N 3.3Å; Y345-Y349 VanDerWaalsContact O-N 3.14Å |
| 346 | S | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -32.8 | 174.2 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | S342 L343 A344 F368 | S342-S346 PolarHBondContact O-N 3.11Å; L343-S346 PolarHBondContact O-OG 2.93Å; A344-S346 PolarHBondContact O-N 3.33Å; S346-F368 VanDerWaalsContact O-CE2 3.3Å; S346-F368 WeakPolarHBondContact O-CE2 3.5Å |
| 347 | N | 93.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -87.6 | -22.6 | 175.2 | -80.6 | -34.3 | 0 | 0 | 0 | 113.7 | A344 Y345 P367 F368 | A344-N347 PolarHBondContact O-N 3.33Å; Y345-N347 PolarHBondContact O-N 2.89Å; N347-P367 WeakPolarHBondContact OD1-CD 3.38Å; N347-F368 PolarHBondContact ND2-O 3.12Å; N347-F368 WeakPolarHBondContact OD1-CB 3.12Å; N347-F368 WeakPolarHBondContact OD1-CD2 3.37Å; N347-F368 PolarHBondContact OD1-N 2.94Å; N347-F368 PolarHBondContact OD1-O 2.73Å |
| 348 | A | 93.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 36.4 Ų | 36.4 | 52% | 0.521 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -77.2 | -34.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A344 Y345 G350 | A344-A348 WeakPolarHBondContact O-CB 3.27Å; A344-A348 PolarHBondContact O-N 2.81Å; Y345-A348 PolarHBondContact O-N 3.22Å; Y345-A348 VanDerWaalsContact O-N 3.12Å; A348-G350 VanDerWaalsContact C-N 3.29Å; A348-G350 PolarHBondContact O-N 2.92Å |
| 349 | Y | 94.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | trans | -94.4 | 50.9 | -178.2 | -68.8 | -63.7 | 0 | 0 | 0 | 112.2 | E40 P41 K44 F45 Y345 E351 W352 | E40-Y349 HydrophobicContact CG-CE1 4.09Å; E40-Y349 WeakPolarHBondContact CG-OH 3.33Å; E40-Y349 PolarHBondContact OE1-OH 2.94Å; P41-Y349 HydrophobicContact CB-CD1 4.44Å; P41-Y349 HydrophobicContact CB-CD2 4.17Å; P41-Y349 HydrophobicContact CB-CG 4.15Å; P41-Y349 HydrophobicContact CG-CD1 3.82Å; P41-Y349 HydrophobicContact CG-CD2 4.41Å; P41-Y349 HydrophobicContact CG-CE1 4.22Å; P41-Y349 HydrophobicContact CG-CG 3.94Å; K44-Y349 HydrophobicContact CB-CE2 4.15Å; K44-Y349 WeakPolarHBondContact CE-OH 3.2Å; K44-Y349 HydrophobicContact CG-CE2 3.91Å; K44-Y349 WeakPolarHBondContact CG-OH 3.05Å; F45-Y349 HydrophobicContact CE2-CD2 4.38Å; Y345-Y349 HydrophobicContact CD1-CE2 4.41Å; Y345-Y349 HydrophobicContact CG-CE2 4.22Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.37Å; Y345-Y349 PolarHBondContact O-N 3.3Å; Y345-Y349 VanDerWaalsContact O-N 3.14Å; Y349-E351 VanDerWaalsContact C-N 3.29Å; Y349-E351 PolarHBondContact O-N 2.7Å; Y349-W352 AromaticContact CD1-CD1 3.84Å; Y349-W352 AromaticContact CD1-NE1 3.89Å; Y349-W352 PolarHBondContact O-N 3Å | ||
| 350 | G | 91.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -63.8 | -31 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A348 W352 L353 | A348-G350 VanDerWaalsContact C-N 3.29Å; A348-G350 PolarHBondContact O-N 2.92Å; G350-W352 PolarHBondContact O-N 2.95Å; G350-L353 WeakPolarHBondContact O-CB 3.49Å; G350-L353 PolarHBondContact O-N 2.76Å |
| 351 | E | 91.2 | Very high | 93.2 | Very high | 104 Ų | 104 | 38.7 Ų | 38.7 | 49% | 0.486 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -73.6 | -7.9 | 177.5 | 73.1 | -77.5 | -173.7 | 0 | 0 | 114 | Y349 | Y349-E351 VanDerWaalsContact C-N 3.29Å; Y349-E351 PolarHBondContact O-N 2.7Å |
| 352 | W | 95.5 | Very high | 92.9 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -102 | 4.3 | 176.1 | -58.2 | 80.3 | 0 | 0 | 0 | 112.3 | T39 P41 Y113 I134 L162 Y349 G350 | T39-W352 HydrophobicContact CG2-CH2 3.94Å; T39-W352 HydrophobicContact CG2-CZ3 3.8Å; P41-W352 HydrophobicContact CG-CB 4.47Å; P41-W352 HydrophobicContact CG-CD2 3.48Å; P41-W352 VanDerWaalsContact CG-CD2 3.48Å; P41-W352 HydrophobicContact CG-CE3 3.94Å; P41-W352 HydrophobicContact CG-CG 3.7Å; P41-W352 HydrophobicContact CG-CH2 4.48Å; P41-W352 HydrophobicContact CG-CZ2 4.08Å; P41-W352 HydrophobicContact CG-CZ3 4.41Å; Y113-W352 AromaticContact CD1-CZ3 3.81Å; Y113-W352 HydrophobicContact CD1-CZ3 3.81Å; Y113-W352 AromaticContact CD2-CE3 3.7Å; Y113-W352 HydrophobicContact CD2-CE3 3.7Å; Y113-W352 AromaticContact CD2-CZ3 3.61Å; Y113-W352 HydrophobicContact CD2-CZ3 3.61Å; Y113-W352 HydrophobicContact CE1-CE3 4.09Å; Y113-W352 AromaticContact CE1-CZ3 3.59Å; Y113-W352 HydrophobicContact CE1-CZ3 3.59Å; Y113-W352 HydrophobicContact CE2-CD2 4.26Å; Y113-W352 AromaticContact CE2-CE3 3.17Å; Y113-W352 HydrophobicContact CE2-CE3 3.17Å; Y113-W352 AromaticContact CE2-CZ3 3.42Å; Y113-W352 HydrophobicContact CE2-CZ3 3.42Å; Y113-W352 VanDerWaalsContact CE2-CZ3 3.42Å; Y113-W352 HydrophobicContact CG-CE3 4.37Å; Y113-W352 AromaticContact CG-CZ3 3.81Å; Y113-W352 HydrophobicContact CG-CZ3 3.81Å; Y113-W352 AromaticContact CZ-CE3 3.39Å; Y113-W352 AromaticContact CZ-CZ3 3.4Å; I134-W352 HydrophobicContact CG2-CB 3.76Å; L162-W352 WeakPolarHBondContact CB-O 3.46Å; L162-W352 PolarHBondContact N-O 3.11Å; L162-W352 VanDerWaalsContact N-O 3.07Å; Y349-W352 AromaticContact CD1-CD1 3.84Å; Y349-W352 AromaticContact CD1-NE1 3.89Å; Y349-W352 PolarHBondContact O-N 3Å; G350-W352 PolarHBondContact O-N 2.95Å |
| 353 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 170.9 | 178.9 | -56.5 | -178.3 | 0 | 0 | 0 | 110.9 | I134 H160 G350 K357 P367 F368 | I134-L353 HydrophobicContact CD1-CD2 3.92Å; I134-L353 HydrophobicContact CG1-CD2 4.07Å; H160-L353 CarbonylContact O-C 3.51Å; H160-L353 VanDerWaalsContact O-CA 3.3Å; H160-L353 WeakPolarHBondContact O-CA 3.46Å; H160-L353 WeakPolarHBondContact O-CB 3.31Å; H160-L353 WeakPolarHBondContact O-CD2 3.42Å; G350-L353 WeakPolarHBondContact O-CB 3.49Å; G350-L353 PolarHBondContact O-N 2.76Å; L353-K357 HydrophobicContact CB-CB 3.9Å; L353-K357 HydrophobicContact CD1-CB 3.98Å; L353-P367 HydrophobicContact CD1-CB 3.39Å; L353-P367 HydrophobicContact CD1-CG 3.74Å; L353-F368 HydrophobicContact CD1-CE2 3.82Å; L353-F368 HydrophobicContact CD1-CZ 4.43Å; L353-F368 HydrophobicContact CD2-CE2 4.14Å; L353-F368 HydrophobicContact CD2-CZ 4.29Å |
| 354 | N | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -65.1 | 163 | 173.2 | 74.7 | 24.5 | 0 | 0 | 0 | 111.7 | Y158 S159 H160 V356 K357 E358 | Y158-N354 HydrophobicContact CE1-CB 4.35Å; Y158-N354 WeakPolarHBondContact CE1-ND2 3.25Å; Y158-N354 HydrophobicContact CE2-CB 4.48Å; S159-N354 PolarHBondContact O-ND2 2.69Å; H160-N354 PolarHBondContact O-N 3.28Å; N354-V356 PolarHBondContact O-N 3.03Å; N354-V356 VanDerWaalsContact O-N 3.14Å; N354-V356 WeakPolarHBondContact OD1-CB 3.31Å; N354-V356 PolarHBondContact OD1-N 3.19Å; N354-V356 VanDerWaalsContact OD1-N 3.1Å; N354-K357 PolarHBondContact O-N 2.82Å; N354-K357 WeakPolarHBondContact OD1-CB 3.06Å; N354-K357 WeakPolarHBondContact OD1-CG 3.4Å; N354-K357 PolarHBondContact OD1-N 3.09Å; N354-E358 VanDerWaalsContact O-CB 3.31Å; N354-E358 WeakPolarHBondContact O-CB 3.36Å; N354-E358 PolarHBondContact O-N 3.16Å | ||
| 355 | S | 93.2 | Very high | 92.1 | Very high | 75 Ų | 75 | 56.9 Ų | 56.9 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.9 | -31.2 | -177.7 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | S359 | S355-S359 WeakPolarHBondContact O-CB 3.44Å; S355-S359 PolarHBondContact O-N 3.2Å; S355-S359 PolarHBondContact O-OG 2.83Å |
| 356 | V | 92.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 56.2 Ų | 56.2 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.1 | -50.8 | 179.8 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | N354 S359 | N354-V356 PolarHBondContact O-N 3.03Å; N354-V356 VanDerWaalsContact O-N 3.14Å; N354-V356 WeakPolarHBondContact OD1-CB 3.31Å; N354-V356 PolarHBondContact OD1-N 3.19Å; N354-V356 VanDerWaalsContact OD1-N 3.1Å; V356-S359 PolarHBondContact O-N 3.13Å; V356-S359 PolarHBondContact O-OG 3.5Å |
| 357 | K | 92.4 | Very high | 91.8 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 12% | 0.122 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.6 | -39.3 | 179.1 | -72.5 | -74.1 | -172.1 | 177 | 0 | 111.6 | E224 L353 N354 S359 V360 P367 | E224-K357 IonicContact OE1-NZ 2.95Å; E224-K357 PolarHBondContact OE1-NZ 3.3Å; E224-K357 IonicContact OE2-NZ 2.78Å; E224-K357 PolarHBondContact OE2-NZ 2.6Å; L353-K357 HydrophobicContact CB-CB 3.9Å; L353-K357 HydrophobicContact CD1-CB 3.98Å; N354-K357 PolarHBondContact O-N 2.82Å; N354-K357 WeakPolarHBondContact OD1-CB 3.06Å; N354-K357 WeakPolarHBondContact OD1-CG 3.4Å; N354-K357 PolarHBondContact OD1-N 3.09Å; K357-S359 VanDerWaalsContact C-N 3.32Å; K357-S359 PolarHBondContact O-N 3.22Å; K357-V360 WeakPolarHBondContact O-CB 3.09Å; K357-V360 PolarHBondContact O-N 3.42Å; K357-P367 HydrophobicContact CB-CB 4.25Å; K357-P367 HydrophobicContact CD-CB 4.34Å; K357-P367 WeakPolarHBondContact CD-O 3.38Å; K357-P367 PolarHBondContact NZ-O 2.81Å |
| 358 | E | 91.8 | Very high | 91.8 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 174 | -173.1 | -173.6 | -167.7 | 0 | 0 | 110.9 | N354 V360 L361 | N354-E358 VanDerWaalsContact O-CB 3.31Å; N354-E358 WeakPolarHBondContact O-CB 3.36Å; N354-E358 PolarHBondContact O-N 3.16Å; E358-V360 PolarHBondContact O-N 2.89Å; E358-V360 VanDerWaalsContact O-N 3.11Å; E358-L361 HydrophobicContact CG-CD1 4.29Å; E358-L361 WeakPolarHBondContact O-CB 3.45Å; E358-L361 WeakPolarHBondContact O-CG 3.22Å; E358-L361 PolarHBondContact O-N 3.24Å |
| 359 | S | 91.6 | Very high | 91.7 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.5 | -26.4 | -177.7 | 75 | 0 | 0 | 0 | 0 | 114.1 | S355 V356 K357 L361 Y362 | S355-S359 WeakPolarHBondContact O-CB 3.44Å; S355-S359 PolarHBondContact O-N 3.2Å; S355-S359 PolarHBondContact O-OG 2.83Å; V356-S359 PolarHBondContact O-N 3.13Å; V356-S359 PolarHBondContact O-OG 3.5Å; K357-S359 VanDerWaalsContact C-N 3.32Å; K357-S359 PolarHBondContact O-N 3.22Å; S359-L361 PolarHBondContact O-N 3.41Å; S359-Y362 WeakPolarHBondContact O-CB 3.49Å; S359-Y362 PolarHBondContact O-N 3.13Å |
| 360 | V | 90.5 | Very high | 91.5 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.255 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -29.7 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | K357 E358 Y362 N363 D365 | K357-V360 WeakPolarHBondContact O-CB 3.09Å; K357-V360 PolarHBondContact O-N 3.42Å; E358-V360 PolarHBondContact O-N 2.89Å; E358-V360 VanDerWaalsContact O-N 3.11Å; V360-Y362 VanDerWaalsContact C-N 3.27Å; V360-Y362 PolarHBondContact O-N 3.44Å; V360-N363 WeakPolarHBondContact O-CB 3.24Å; V360-N363 PolarHBondContact O-N 3.39Å; V360-D365 HydrophobicContact CG1-CB 3.39Å; V360-D365 PolarHBondContact O-N 3.09Å |
| 361 | L | 88.8 | Confident | 91.3 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -30.8 | 177.4 | -61.2 | 163.5 | 0 | 0 | 0 | 112.4 | E358 S359 N363 A364 P367 | E358-L361 HydrophobicContact CG-CD1 4.29Å; E358-L361 WeakPolarHBondContact O-CB 3.45Å; E358-L361 WeakPolarHBondContact O-CG 3.22Å; E358-L361 PolarHBondContact O-N 3.24Å; S359-L361 PolarHBondContact O-N 3.41Å; L361-N363 PolarHBondContact O-N 3.01Å; L361-A364 WeakPolarHBondContact O-CA 3.22Å; L361-A364 PolarHBondContact O-N 3.42Å; L361-P367 HydrophobicContact CD1-CG 4.27Å; L361-P367 HydrophobicContact CD2-CG 3.53Å; L361-P367 HydrophobicContact CG-CG 3.88Å |
| 362 | Y | 88.4 | Confident | 91.2 | Very high | 183 Ų | 183 | 58.7 Ų | 58.7 | 72% | 0.718 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.8 | 175.8 | -63.1 | -60.5 | 0 | 0 | 0 | 112.6 | S359 V360 A364 | S359-Y362 WeakPolarHBondContact O-CB 3.49Å; S359-Y362 PolarHBondContact O-N 3.13Å; V360-Y362 VanDerWaalsContact C-N 3.27Å; V360-Y362 PolarHBondContact O-N 3.44Å; Y362-A364 VanDerWaalsContact C-N 3.28Å |
| 363 | N | 89.5 | Confident | 90.8 | Very high | 120 Ų | 120 | 58.1 Ų | 58.1 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 7 | 172.9 | -60.8 | -33.5 | 0 | 0 | 0 | 112.7 | V360 L361 D365 | V360-N363 WeakPolarHBondContact O-CB 3.24Å; V360-N363 PolarHBondContact O-N 3.39Å; L361-N363 PolarHBondContact O-N 3.01Å; N363-D365 PolarHBondContact O-N 3.39Å |
| 364 | A | 88 | Confident | 90.6 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 79% | 0.785 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 22.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L361 Y362 | L361-A364 WeakPolarHBondContact O-CA 3.22Å; L361-A364 PolarHBondContact O-N 3.42Å; Y362-A364 VanDerWaalsContact C-N 3.28Å |
| 365 | D | 90.2 | Very high | 90.3 | Very high | 98 Ų | 98 | 67 Ų | 67 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | trans | -96.2 | 151.5 | 175.7 | -74.9 | -33.3 | 0 | 0 | 0 | 110.6 | V360 N363 | V360-D365 HydrophobicContact CG1-CB 3.39Å; V360-D365 PolarHBondContact O-N 3.09Å; N363-D365 PolarHBondContact O-N 3.39Å | ||
| 366 | A | 91.3 | Very high | 89.9 | Confident | 51 Ų | 51 | 67 Ų | 67 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | trans | -75.2 | 137.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F368 | A366-F368 PolarHBondContact O-N 3.09Š| ||
| 367 | P | 92 | Very high | 89.4 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -58.8 | -33.4 | 179.4 | -25.3 | 34.3 | 0 | 0 | 0 | 113.4 | N347 L353 K357 L361 | N347-P367 WeakPolarHBondContact OD1-CD 3.38Å; L353-P367 HydrophobicContact CD1-CB 3.39Å; L353-P367 HydrophobicContact CD1-CG 3.74Å; K357-P367 HydrophobicContact CB-CB 4.25Å; K357-P367 HydrophobicContact CD-CB 4.34Å; K357-P367 WeakPolarHBondContact CD-O 3.38Å; K357-P367 PolarHBondContact NZ-O 2.81Å; L361-P367 HydrophobicContact CD1-CG 4.27Å; L361-P367 HydrophobicContact CD2-CG 3.53Å; L361-P367 HydrophobicContact CG-CG 3.88Å |
| 368 | F | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -114.5 | 136.6 | 174.6 | -58 | -85.5 | 0 | 0 | 0 | 111.3 | H160 F220 S346 N347 L353 A366 F370 | H160-F368 HydrophobicContact CB-CE1 3.9Å; H160-F368 HydrophobicContact CB-CZ 3.72Å; H160-F368 AromaticContact CD2-CZ 3.6Å; H160-F368 AromaticContact CG-CZ 3.75Å; F220-F368 HydrophobicContact CB-CD1 4.41Å; F220-F368 HydrophobicContact CB-CE1 3.84Å; F220-F368 HydrophobicContact CB-CZ 4.22Å; S346-F368 VanDerWaalsContact O-CE2 3.3Å; S346-F368 WeakPolarHBondContact O-CE2 3.5Å; N347-F368 PolarHBondContact ND2-O 3.12Å; N347-F368 WeakPolarHBondContact OD1-CB 3.12Å; N347-F368 WeakPolarHBondContact OD1-CD2 3.37Å; N347-F368 PolarHBondContact OD1-N 2.94Å; N347-F368 PolarHBondContact OD1-O 2.73Å; L353-F368 HydrophobicContact CD1-CE2 3.82Å; L353-F368 HydrophobicContact CD1-CZ 4.43Å; L353-F368 HydrophobicContact CD2-CE2 4.14Å; L353-F368 HydrophobicContact CD2-CZ 4.29Å; A366-F368 PolarHBondContact O-N 3.09Å; F368-F370 HydrophobicContact CB-CD1 4.26Å; F368-F370 HydrophobicContact CB-CD2 3.36Å; F368-F370 HydrophobicContact CB-CE1 4.2Å; F368-F370 HydrophobicContact CB-CE2 3.3Å; F368-F370 HydrophobicContact CB-CG 3.86Å; F368-F370 HydrophobicContact CB-CZ 3.73Å; F368-F370 HydrophobicContact CD1-CE1 4.34Å; F368-F370 AromaticContact CD1-CE2 3.61Å; F368-F370 HydrophobicContact CD1-CE2 3.61Å; F368-F370 AromaticContact CD1-CZ 3.48Å; F368-F370 HydrophobicContact CD1-CZ 3.48Å; F368-F370 VanDerWaalsContact CD1-CZ 3.48Å; F368-F370 HydrophobicContact CD2-CE2 4.07Å; F368-F370 HydrophobicContact CE1-CE2 4.42Å; F368-F370 HydrophobicContact CE1-CZ 4.27Å; F368-F370 AromaticContact CG-CD2 3.97Å; F368-F370 HydrophobicContact CG-CD2 3.97Å; F368-F370 AromaticContact CG-CE2 3.39Å; F368-F370 HydrophobicContact CG-CE2 3.39Å; F368-F370 AromaticContact CG-CZ 3.76Å; F368-F370 HydrophobicContact CG-CZ 3.76Å; F368-F370 PolarHBondContact O-N 3.05Å |
| 369 | I | 90.9 | Very high | 89 | Confident | 85 Ų | 85 | 65 Ų | 65 | 44% | 0.436 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 10.1 | -179.2 | 57.3 | 164.2 | 0 | 0 | 0 | 114 | Q371 S372 L373 | I369-Q371 VanDerWaalsContact C-N 3.26Å; I369-Q371 PolarHBondContact O-N 2.85Å; I369-S372 PolarHBondContact O-N 3.03Å; I369-S372 VanDerWaalsContact O-N 3.12Å; I369-L373 HydrophobicContact CD1-CD1 3.86Å; I369-L373 HydrophobicContact CD1-CD2 4.37Å; I369-L373 HydrophobicContact CD1-CG 4.17Å; I369-L373 HydrophobicContact CG1-CD1 3.74Å; I369-L373 HydrophobicContact CG1-CG 4.23Å; I369-L373 WeakPolarHBondContact O-CG 2.93Å; I369-L373 PolarHBondContact O-N 2.72Å |
| 370 | F | 91 | Very high | 88.9 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.9 | -39.4 | -174.9 | -56.3 | -35.7 | 0 | 0 | 0 | 113 | F220 L223 E224 L343 F368 L373 L374 | F220-F370 HydrophobicContact CB-CE2 4.29Å; F220-F370 HydrophobicContact CB-CZ 3.91Å; F220-F370 AromaticContact CD1-CE2 3.75Å; F220-F370 HydrophobicContact CD1-CE2 3.75Å; F220-F370 AromaticContact CD1-CZ 3.94Å; F220-F370 HydrophobicContact CD1-CZ 3.94Å; F220-F370 HydrophobicContact CE1-CE2 4.47Å; F220-F370 HydrophobicContact CG-CE2 4.24Å; F220-F370 HydrophobicContact CG-CZ 4.29Å; L223-F370 HydrophobicContact CB-CE1 4.07Å; L223-F370 HydrophobicContact CD1-CE1 4.22Å; L223-F370 HydrophobicContact CD1-CZ 4.49Å; E224-F370 HydrophobicContact CG-CE1 4.17Å; L343-F370 HydrophobicContact CB-CD2 4.45Å; L343-F370 HydrophobicContact CD2-CB 4.26Å; L343-F370 HydrophobicContact CD2-CD1 4.44Å; L343-F370 HydrophobicContact CD2-CD2 3.57Å; L343-F370 HydrophobicContact CD2-CE2 3.97Å; L343-F370 HydrophobicContact CD2-CG 3.85Å; F368-F370 HydrophobicContact CB-CD1 4.26Å; F368-F370 HydrophobicContact CB-CD2 3.36Å; F368-F370 HydrophobicContact CB-CE1 4.2Å; F368-F370 HydrophobicContact CB-CE2 3.3Å; F368-F370 HydrophobicContact CB-CG 3.86Å; F368-F370 HydrophobicContact CB-CZ 3.73Å; F368-F370 HydrophobicContact CD1-CE1 4.34Å; F368-F370 AromaticContact CD1-CE2 3.61Å; F368-F370 HydrophobicContact CD1-CE2 3.61Å; F368-F370 AromaticContact CD1-CZ 3.48Å; F368-F370 HydrophobicContact CD1-CZ 3.48Å; F368-F370 VanDerWaalsContact CD1-CZ 3.48Å; F368-F370 HydrophobicContact CD2-CE2 4.07Å; F368-F370 HydrophobicContact CE1-CE2 4.42Å; F368-F370 HydrophobicContact CE1-CZ 4.27Å; F368-F370 AromaticContact CG-CD2 3.97Å; F368-F370 HydrophobicContact CG-CD2 3.97Å; F368-F370 AromaticContact CG-CE2 3.39Å; F368-F370 HydrophobicContact CG-CE2 3.39Å; F368-F370 AromaticContact CG-CZ 3.76Å; F368-F370 HydrophobicContact CG-CZ 3.76Å; F368-F370 PolarHBondContact O-N 3.05Å; F370-L373 HydrophobicContact CD1-CD1 4.36Å; F370-L373 PolarHBondContact O-N 3.18Å; F370-L374 WeakPolarHBondContact O-CB 3.27Å; F370-L374 VanDerWaalsContact O-CG 3.25Å; F370-L374 WeakPolarHBondContact O-CG 3.49Å; F370-L374 PolarHBondContact O-N 3.01Å |
| 371 | Q | 87 | Confident | 89 | Confident | 108 Ų | 108 | 61.8 Ų | 61.8 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 179.9 | -174.4 | 64.9 | 1.6 | 0 | 0 | 112 | I369 L373 L374 Q375 | I369-Q371 VanDerWaalsContact C-N 3.26Å; I369-Q371 PolarHBondContact O-N 2.85Å; Q371-L373 VanDerWaalsContact C-N 3.31Å; Q371-L373 PolarHBondContact O-N 3.27Å; Q371-L374 PolarHBondContact O-N 3.08Å; Q371-Q375 VanDerWaalsContact O-CG 3.27Å; Q371-Q375 WeakPolarHBondContact O-CG 3.28Å; Q371-Q375 PolarHBondContact O-N 3.41Å |
| 372 | S | 88.1 | Confident | 89.1 | Confident | 74 Ų | 74 | 59 Ų | 59 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 175.3 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | I369 Q375 C376 | I369-S372 PolarHBondContact O-N 3.03Å; I369-S372 VanDerWaalsContact O-N 3.12Å; S372-Q375 PolarHBondContact O-N 2.51Å; S372-C376 PolarHBondContact O-N 3.36Å; S372-C376 PolarHBondContact O-SG 3.23Å |
| 373 | L | 88.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 176.8 | -67.1 | 167.6 | 0 | 0 | 0 | 112.9 | I227 I369 F370 Q371 C376 G377 K378 L379 | I227-L373 HydrophobicContact CD1-CD1 3.29Å; I227-L373 HydrophobicContact CD1-CD2 4Å; I227-L373 HydrophobicContact CD1-CG 4.25Å; I227-L373 HydrophobicContact CG2-CD2 4.45Å; I369-L373 HydrophobicContact CD1-CD1 3.86Å; I369-L373 HydrophobicContact CD1-CD2 4.37Å; I369-L373 HydrophobicContact CD1-CG 4.17Å; I369-L373 HydrophobicContact CG1-CD1 3.74Å; I369-L373 HydrophobicContact CG1-CG 4.23Å; I369-L373 WeakPolarHBondContact O-CG 2.93Å; I369-L373 PolarHBondContact O-N 2.72Å; F370-L373 HydrophobicContact CD1-CD1 4.36Å; F370-L373 PolarHBondContact O-N 3.18Å; Q371-L373 VanDerWaalsContact C-N 3.31Å; Q371-L373 PolarHBondContact O-N 3.27Å; L373-C376 PolarHBondContact O-SG 2.94Å; L373-C376 VanDerWaalsContact O-SG 3.36Å; L373-G377 PolarHBondContact O-N 3.01Å; L373-K378 HydrophobicContact CD2-CB 4.17Å; L373-K378 HydrophobicContact CD2-CD 4.15Å; L373-K378 PolarHBondContact O-N 2.96Å; L373-K378 VanDerWaalsContact O-N 3.15Å; L373-L379 HydrophobicContact CB-CB 3.79Å; L373-L379 HydrophobicContact CB-CD2 4.46Å; L373-L379 PolarHBondContact O-N 3.12Å; L373-L379 VanDerWaalsContact O-N 3.13Å |
| 374 | L | 89 | Confident | 88.8 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 172.9 | -71.5 | 166.9 | 0 | 0 | 0 | 111.1 | L343 F370 Q371 G377 L379 A381 | L343-L374 HydrophobicContact CD1-CD1 4.17Å; F370-L374 WeakPolarHBondContact O-CB 3.27Å; F370-L374 VanDerWaalsContact O-CG 3.25Å; F370-L374 WeakPolarHBondContact O-CG 3.49Å; F370-L374 PolarHBondContact O-N 3.01Å; Q371-L374 PolarHBondContact O-N 3.08Å; L374-G377 PolarHBondContact O-N 2.63Å; L374-L379 HydrophobicContact CD2-CB 4.46Å; L374-L379 HydrophobicContact CD2-CD2 4.24Å; L374-L379 HydrophobicContact CD2-CG 4.09Å; L374-L379 HydrophobicContact CG-CD2 4.29Å; L374-A381 HydrophobicContact CD2-CB 3.7Å |
| 375 | Q | 87.7 | Confident | 88.4 | Confident | 140 Ų | 140 | 47.8 Ų | 47.8 | 65% | 0.654 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.1 | -40.8 | 179.8 | -74.7 | 172.9 | 4.2 | 0 | 0 | 112.9 | Q371 S372 G377 | Q371-Q375 VanDerWaalsContact O-CG 3.27Å; Q371-Q375 WeakPolarHBondContact O-CG 3.28Å; Q371-Q375 PolarHBondContact O-N 3.41Å; S372-Q375 PolarHBondContact O-N 2.51Å; Q375-G377 VanDerWaalsContact C-N 3.26Å; Q375-G377 PolarHBondContact O-N 3.33Å |
| 376 | C | 85.3 | Confident | 87.5 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 51% | 0.507 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2.1 | 177.4 | 68.7 | 0 | 0 | 0 | 0 | 114 | S372 L373 K378 | S372-C376 PolarHBondContact O-N 3.36Å; S372-C376 PolarHBondContact O-SG 3.23Å; L373-C376 PolarHBondContact O-SG 2.94Å; L373-C376 VanDerWaalsContact O-SG 3.36Å; C376-K378 PolarHBondContact O-N 2.85Å |
| 377 | G | 82.1 | Confident | 86.2 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 24% | 0.237 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 7.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L373 L374 Q375 L379 | L373-G377 PolarHBondContact O-N 3.01Å; L374-G377 PolarHBondContact O-N 2.63Å; Q375-G377 VanDerWaalsContact C-N 3.26Å; Q375-G377 PolarHBondContact O-N 3.33Å; G377-L379 VanDerWaalsContact C-N 3.34Å |
| 378 | K | 85.9 | Confident | 84.2 | Confident | 85 Ų | 85 | 50.3 Ų | 50.3 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -67.5 | -36.8 | 172.8 | -78.2 | -172.2 | 174.8 | -171.1 | 0 | 111.6 | D231 I332 L373 C376 | D231-K378 IonicContact OD1-NZ 3.97Å; D231-K378 IonicContact OD2-NZ 2.84Å; D231-K378 PolarHBondContact OD2-NZ 3.37Å; I332-K378 PolarHBondContact N-O 2.86Å; I332-K378 VanDerWaalsContact N-O 3.07Å; L373-K378 HydrophobicContact CD2-CB 4.17Å; L373-K378 HydrophobicContact CD2-CD 4.15Å; L373-K378 PolarHBondContact O-N 2.96Å; L373-K378 VanDerWaalsContact O-N 3.15Å; C376-K378 PolarHBondContact O-N 2.85Å |
| 379 | L | 90.1 | Very high | 81.8 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.5 | 173.4 | 179.8 | 63.5 | 0 | 0 | 0 | 109 | L223 I332 F334 L343 L373 L374 G377 | L223-L379 HydrophobicContact CD2-CD1 4.23Å; I332-L379 HydrophobicContact CB-CD1 4.18Å; I332-L379 HydrophobicContact CG2-CD1 3.82Å; I332-L379 CarbonylContact O-C 3.48Å; I332-L379 WeakPolarHBondContact O-CA 3.38Å; F334-L379 HydrophobicContact CB-CD1 4.16Å; L343-L379 HydrophobicContact CD1-CD2 4.26Å; L373-L379 HydrophobicContact CB-CB 3.79Å; L373-L379 HydrophobicContact CB-CD2 4.46Å; L373-L379 PolarHBondContact O-N 3.12Å; L373-L379 VanDerWaalsContact O-N 3.13Å; L374-L379 HydrophobicContact CD2-CB 4.46Å; L374-L379 HydrophobicContact CD2-CD2 4.24Å; L374-L379 HydrophobicContact CD2-CG 4.09Å; L374-L379 HydrophobicContact CG-CD2 4.29Å; G377-L379 VanDerWaalsContact C-N 3.34Å |
| 380 | V | 90.8 | Very high | 79.3 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 105.3 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | I332 F333 F334 L382 | I332-V380 PolarHBondContact O-N 2.97Å; F333-V380 WeakPolarHBondContact CA-O 3.24Å; F333-V380 HydrophobicContact CD1-CB 3.72Å; F333-V380 HydrophobicContact CD1-CG1 3.9Å; F333-V380 HydrophobicContact CD1-CG2 4.46Å; F333-V380 HydrophobicContact CE1-CB 3.91Å; F333-V380 HydrophobicContact CE1-CG1 3.93Å; F333-V380 HydrophobicContact CE1-CG2 4.24Å; F334-V380 PolarHBondContact N-O 2.94Å; V380-L382 HydrophobicContact CG1-CD2 3.96Å; V380-L382 HydrophobicContact CG1-CG 4.17Å |
| 381 | A | 91.7 | Very high | 76.5 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | F334 V339 L374 | F334-A381 WeakPolarHBondContact O-CA 3.4Å; V339-A381 HydrophobicContact CB-CB 4.48Å; V339-A381 HydrophobicContact CG1-CB 3.83Å; V339-A381 HydrophobicContact CG2-CB 3.77Å; L374-A381 HydrophobicContact CD2-CB 3.7Å |
| 382 | L | 90.2 | Very high | 73.8 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131 | 179.1 | -60.5 | 176.1 | 0 | 0 | 0 | 109.7 | F333 F334 I335 S336 V380 S384 | F333-L382 HydrophobicContact CD1-CD1 3.85Å; F333-L382 HydrophobicContact CD1-CG 4.5Å; F333-L382 HydrophobicContact CE1-CD1 4.44Å; F334-L382 PolarHBondContact O-N 3.34Å; I335-L382 WeakPolarHBondContact CA-O 3.47Å; I335-L382 HydrophobicContact CD1-CD1 4.47Å; I335-L382 HydrophobicContact CG1-CB 4.32Å; I335-L382 HydrophobicContact CG1-CD1 4.32Å; S336-L382 PolarHBondContact N-O 2.75Å; S336-L382 VanDerWaalsContact N-O 3.08Å; V380-L382 HydrophobicContact CG1-CD2 3.96Å; V380-L382 HydrophobicContact CG1-CG 4.17Å; L382-S384 VanDerWaalsContact C-N 3.33Å |
| 383 | K | 88.9 | Confident | 71.1 | Confident | 106 Ų | 106 | 62.8 Ų | 62.8 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -74.3 | -27.6 | 176.8 | -66.9 | -176.1 | 179.2 | -177.5 | 0 | 113 | S336 N337 | S336-K383 CarbonylContact C-O 3.53Å; S336-K383 WeakPolarHBondContact O-CA 3.22Å; N337-K383 WeakPolarHBondContact CA-O 3.49Å; N337-K383 PolarHBondContact N-O 2.93Å |
| 384 | S | 83.7 | Confident | 68.5 | Low | 37 Ų | 37 | 68.4 Ų | 68.4 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -152.9 | 159.5 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | L382 Y386 D387 | L382-S384 VanDerWaalsContact C-N 3.33Å; S384-Y386 PolarHBondContact O-N 3.31Å; S384-Y386 WeakPolarHBondContact OG-CD2 3.43Å; S384-Y386 PolarHBondContact OG-N 3.43Å; S384-D387 WeakPolarHBondContact O-CB 3.43Å; S384-D387 PolarHBondContact O-N 3.19Å |
| 385 | L | 79.7 | Confident | 65.7 | Low | 19 Ų | 19 | 72.4 Ų | 72.4 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25 | 170.9 | -68.3 | 169.9 | 0 | 0 | 0 | 112.4 | I335 L413 P492 H495 L496 | I335-L385 HydrophobicContact CD1-CD2 3.8Å; I335-L385 HydrophobicContact CG2-CD2 4.41Å; L385-L413 HydrophobicContact CD2-CD1 4.12Å; L385-P492 HydrophobicContact CD1-CB 3.81Å; L385-P492 HydrophobicContact CD2-CB 4.25Å; L385-P492 HydrophobicContact CG-CB 3.88Å; L385-H495 HydrophobicContact CD1-CB 4.08Å; L385-L496 HydrophobicContact CD2-CD1 4.08Å; L385-L496 HydrophobicContact CD2-CD2 3.95Å; L385-L496 HydrophobicContact CD2-CG 4.04Å |
| 386 | Y | 71.5 | Confident | 63 | Low | 133 Ų | 133 | 69.6 Ų | 69.6 | 52% | 0.522 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.1 | -178.6 | -51 | -71.6 | 0 | 0 | 0 | 114.3 | S384 C388 S411 | S384-Y386 PolarHBondContact O-N 3.31Å; S384-Y386 WeakPolarHBondContact OG-CD2 3.43Å; S384-Y386 PolarHBondContact OG-N 3.43Å; Y386-C388 PolarHBondContact O-N 3.03Å; Y386-S411 PolarHBondContact O-OG 3.09Å |
| 387 | D | 63.9 | Low | 60.2 | Low | 28 Ų | 28 | 73.1 Ų | 73.1 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | trans | -73.6 | 113.6 | -174.9 | -164.7 | -4.8 | 0 | 0 | 0 | 111.2 | S384 S389 S411 | S384-D387 WeakPolarHBondContact O-CB 3.43Å; S384-D387 PolarHBondContact O-N 3.19Å; D387-S389 WeakPolarHBondContact OD1-CB 3.48Å; D387-S389 PolarHBondContact OD1-N 2.64Å; D387-S389 PolarHBondContact OD1-OG 3.02Å; D387-S411 PolarHBondContact O-OG 3.1Å | ||
| 388 | C | 48.6 | Very low | 57.8 | Low | 47 Ų | 47 | 76.6 Ų | 76.6 | 32% | 0.318 | 40% | 0.402 | S | S | . | . | trans | -89 | -2.5 | 176.9 | -91.4 | 0 | 0 | 0 | 0 | 112.9 | Y386 S390 L409 T410 S411 | Y386-C388 PolarHBondContact O-N 3.03Å; C388-S390 VanDerWaalsContact C-N 3.35Å; C388-S390 PolarHBondContact O-N 3.32Å; C388-L409 PolarHBondContact SG-O 3.27Å; C388-T410 VanDerWaalsContact SG-C 3.57Å; C388-S411 VanDerWaalsContact CA-OG 3.29Å; C388-S411 WeakPolarHBondContact CA-OG 3.39Å; C388-S411 PolarHBondContact N-OG 3.28Å; C388-S411 VanDerWaalsContact N-OG 3.15Å; C388-S411 PolarHBondContact SG-N 3.36Å; C388-S411 PolarHBondContact SG-OG 3.1Å | ||
| 389 | S | 42.2 | Very low | 55 | Low | 74 Ų | 74 | 78.1 Ų | 78.1 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -74.1 | -20.7 | -157.8 | -53.3 | 0 | 0 | 0 | 0 | 114.7 | D387 | D387-S389 WeakPolarHBondContact OD1-CB 3.48Å; D387-S389 PolarHBondContact OD1-N 2.64Å; D387-S389 PolarHBondContact OD1-OG 3.02Å |
| 390 | S | 38.8 | Very low | 52.1 | Low | 49 Ų | 49 | 84 Ų | 84 | 34% | 0.343 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -85 | -12.9 | -171.6 | -60 | 0 | 0 | 0 | 0 | 115.4 | C388 R392 | C388-S390 VanDerWaalsContact C-N 3.35Å; C388-S390 PolarHBondContact O-N 3.32Å; S390-R392 VanDerWaalsContact C-N 3.32Å; S390-R392 PolarHBondContact O-N 3.19Å |
| 391 | S | 33.7 | Very low | 49.1 | Very low | 39 Ų | 39 | 88.4 Ų | 88.4 | 27% | 0.273 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -77.3 | -11.4 | 177.4 | -69.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 392 | R | 29 | Very low | 45.9 | Very low | 181 Ų | 181 | 95.1 Ų | 95.1 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -82 | -17.3 | -175.3 | -92.9 | -172 | -82.4 | -156.1 | -4 | 115.5 | S390 | S390-R392 VanDerWaalsContact C-N 3.32Å; S390-R392 PolarHBondContact O-N 3.19Å |
| 393 | K | 32.3 | Very low | 42.7 | Very low | 188 Ų | 188 | 106 Ų | 106 | 82% | 0.817 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -100.2 | -14.3 | -177 | -81.7 | -174.2 | 175.9 | -177.6 | 0 | 115.1 | L395 | K393-L395 VanDerWaalsContact C-N 3.31Š|
| 394 | L | 32.8 | Very low | 39.8 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 67% | 0.665 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -86.1 | -0.8 | 177.6 | -80.2 | 158.8 | 0 | 0 | 0 | 113.5 | ||
| 395 | L | 30.9 | Very low | 37.1 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -127.9 | 3.2 | -171 | -79.2 | 148.3 | 0 | 0 | 0 | 113.9 | K393 | K393-L395 VanDerWaalsContact C-N 3.31Š|
| 396 | S | 30.4 | Very low | 34.5 | Very low | 80 Ų | 80 | 119.3 Ų | 119.3 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -95.1 | -8.4 | -175.1 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | S398 | S396-S398 PolarHBondContact O-N 3.37Š|
| 397 | D | 28.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 120 Ų | 120 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -102.5 | 60.9 | -179 | -70 | -4.8 | 0 | 0 | 0 | 111 | ||
| 398 | S | 30.6 | Very low | 30.8 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | -159.8 | 110 | 158.3 | -89.3 | 0 | 0 | 0 | 0 | 110.9 | S396 T400 | S396-S398 PolarHBondContact O-N 3.37Å; S398-T400 PolarHBondContact O-N 3.49Å; S398-T400 VanDerWaalsContact O-N 3.15Å | ||
| 399 | S | 26.7 | Very low | 29.8 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -74.1 | 93.2 | 179.9 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 400 | T | 29.4 | Very low | 29.3 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 77% | 0.767 | 68% | 0.679 | S | S | * | * | trans | -170.5 | 113.9 | 147.7 | 34.4 | 0 | 0 | 0 | 0 | 112.3 | S398 | S398-T400 PolarHBondContact O-N 3.49Å; S398-T400 VanDerWaalsContact O-N 3.15Å | ||
| 401 | V | 27.1 | Very low | 29 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | 76.2 | 121.7 | 131.2 | -176.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 402 | N | 26.4 | Very low | 29.4 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | trans | 95.5 | 102.6 | 147.9 | -75.7 | -11.8 | 0 | 0 | 0 | 121.3 | Y404 | N402-Y404 PolarHBondContact O-N 3.01Š| ||
| 403 | R | 23 | Very low | 30.3 | Very low | 235 Ų | 235 | 118 Ų | 118 | 89% | 0.887 | 63% | 0.633 | S | S | * | * | trans | -47.4 | 110.4 | 152.2 | -59.4 | 170.5 | -163.4 | 162.9 | 4.5 | 110.1 | ||||
| 404 | Y | 26.5 | Very low | 30.6 | Very low | 230 Ų | 230 | 111.5 Ų | 111.5 | 90% | 0.902 | 61% | 0.607 | S | S | * | * | trans | -166.3 | 135.4 | 143.9 | -84.5 | -65.6 | 0 | 0 | 0 | 109.2 | N402 | N402-Y404 PolarHBondContact O-N 3.01Š| ||
| 405 | S | 27.2 | Very low | 30.8 | Very low | 90 Ų | 90 | 107.6 Ų | 107.6 | 63% | 0.629 | 59% | 0.587 | S | S | * | * | trans | 73.3 | 97.3 | 169.7 | -101.8 | 0 | 0 | 0 | 0 | 120.2 | H407 | S405-H407 VanDerWaalsContact CB-CD2 3.48Å; S405-H407 WeakPolarHBondContact CB-CD2 3.39Å; S405-H407 PolarHBondContact O-N 3.14Å; S405-H407 VanDerWaalsContact O-N 3.11Å; S405-H407 PolarHBondContact OG-CD2 3.12Å; S405-H407 PolarHBondContact OG-NE2 3.27Å | ||
| 406 | S | 25.5 | Very low | 30.8 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 85% | 0.853 | 58% | 0.579 | S | S | * | * | trans | -64.6 | 88.8 | 153.6 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 407 | H | 28.9 | Very low | 30.8 | Very low | 147 Ų | 147 | 105.5 Ų | 105.5 | 68% | 0.681 | 59% | 0.586 | S | S | * | * | trans | -121.8 | 103.2 | 167 | -70.1 | -62.1 | 0 | 0 | 0 | 110.7 | S405 | S405-H407 VanDerWaalsContact CB-CD2 3.48Å; S405-H407 WeakPolarHBondContact CB-CD2 3.39Å; S405-H407 PolarHBondContact O-N 3.14Å; S405-H407 VanDerWaalsContact O-N 3.11Å; S405-H407 PolarHBondContact OG-CD2 3.12Å; S405-H407 PolarHBondContact OG-NE2 3.27Å | ||
| 408 | I | 29.7 | Very low | 30.8 | Very low | 143 Ų | 143 | 102 Ų | 102 | 73% | 0.733 | 59% | 0.585 | S | S | * | * | trans | 30.3 | 89.3 | 150.9 | -40.2 | -179.8 | 0 | 0 | 0 | 116.2 | T410 | I408-T410 HydrophobicContact CG2-CG2 3.75Å; I408-T410 PolarHBondContact O-N 2.9Å | ||
| 409 | L | 26.4 | Very low | 30.7 | Very low | 124 Ų | 124 | 104.1 Ų | 104.1 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | trans | -74.5 | 109.9 | 166.7 | -71.4 | 158.4 | 0 | 0 | 0 | 109.3 | C388 | C388-L409 PolarHBondContact SG-O 3.27Š| ||
| 410 | T | 31.3 | Very low | 30.7 | Very low | 57 Ų | 57 | 103.9 Ų | 103.9 | 35% | 0.35 | 59% | 0.587 | S | S | . | * | trans | -110.3 | 143.2 | 179.8 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | C388 I408 L414 | C388-T410 VanDerWaalsContact SG-C 3.57Å; I408-T410 HydrophobicContact CG2-CG2 3.75Å; I408-T410 PolarHBondContact O-N 2.9Å; T410-L414 HydrophobicContact CG2-CD1 3.98Å; T410-L414 HydrophobicContact CG2-CD2 4.03Å | ||
| 411 | S | 33.2 | Very low | 30.7 | Very low | 2 Ų | 2 | 103.8 Ų | 103.8 | 1% | 0.014 | 59% | 0.587 | C | S | . | * | trans | -57.4 | 147.8 | 176.7 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | Y386 D387 C388 L413 L414 | Y386-S411 PolarHBondContact O-OG 3.09Å; D387-S411 PolarHBondContact O-OG 3.1Å; C388-S411 VanDerWaalsContact CA-OG 3.29Å; C388-S411 WeakPolarHBondContact CA-OG 3.39Å; C388-S411 PolarHBondContact N-OG 3.28Å; C388-S411 VanDerWaalsContact N-OG 3.15Å; C388-S411 PolarHBondContact SG-N 3.36Å; C388-S411 PolarHBondContact SG-OG 3.1Å; S411-L413 PolarHBondContact O-N 3.28Å; S411-L414 WeakPolarHBondContact O-CB 3.34Å; S411-L414 PolarHBondContact O-N 2.98Å | ||
| 412 | P | 42.7 | Very low | 30.7 | Very low | 43 Ų | 43 | 103.7 Ų | 103.7 | 28% | 0.279 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | 4.6 | 177.9 | 28.9 | -34.1 | 0 | 0 | 0 | 114.3 | F333 I473 W474 P475 | F333-P412 HydrophobicContact CE1-CG 4.36Å; P412-I473 CarbonylContact C-O 3.57Å; P412-I473 VanDerWaalsContact C-O 3.3Å; P412-I473 CarbonylContact O-C 3.49Å; P412-W474 WeakPolarHBondContact O-CA 3.43Å; P412-P475 WeakPolarHBondContact O-CD 3.49Å |
| 413 | L | 46.7 | Very low | 30.8 | Very low | 6 Ų | 6 | 102.3 Ų | 102.3 | 3% | 0.031 | 59% | 0.593 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -132.2 | 33.1 | 174.9 | -66.1 | 175.8 | 0 | 0 | 0 | 111.5 | I335 L385 S411 L415 I473 W474 | I335-L413 HydrophobicContact CD1-CD1 3.74Å; L385-L413 HydrophobicContact CD2-CD1 4.12Å; S411-L413 PolarHBondContact O-N 3.28Å; L413-L415 PolarHBondContact O-N 3.14Å; L413-L415 VanDerWaalsContact O-N 3.07Å; L413-I473 VanDerWaalsContact CA-O 3.24Å; L413-I473 WeakPolarHBondContact CA-O 3.44Å; L413-W474 HydrophobicContact CD2-CD2 4.17Å; L413-W474 HydrophobicContact CD2-CE3 3.9Å; L413-W474 HydrophobicContact CD2-CH2 4.48Å; L413-W474 HydrophobicContact CD2-CZ3 4.07Å |
| 414 | L | 40 | Very low | 31 | Very low | 52 Ų | 52 | 96.9 Ų | 96.9 | 27% | 0.272 | 59% | 0.591 | S | S | . | * | trans | -70.8 | 107.2 | -176.3 | -152.6 | 109.7 | 0 | 0 | 0 | 110.7 | T410 S411 G472 I473 | T410-L414 HydrophobicContact CG2-CD1 3.98Å; T410-L414 HydrophobicContact CG2-CD2 4.03Å; S411-L414 WeakPolarHBondContact O-CB 3.34Å; S411-L414 PolarHBondContact O-N 2.98Å; L414-G472 CarbonylContact O-C 3.38Å; L414-G472 WeakPolarHBondContact O-CA 3.15Å; L414-I473 PolarHBondContact O-N 3.21Å; L414-I473 VanDerWaalsContact O-N 3.07Å | ||
| 415 | L | 37.1 | Very low | 30.9 | Very low | 46 Ų | 46 | 89.9 Ų | 89.9 | 24% | 0.241 | 59% | 0.589 | C | S | . | * | trans | -74.2 | 121.7 | 162.9 | -110.1 | 84.5 | 0 | 0 | 0 | 110.2 | L413 T417 H495 V499 | L413-L415 PolarHBondContact O-N 3.14Å; L413-L415 VanDerWaalsContact O-N 3.07Å; L415-T417 PolarHBondContact O-N 2.86Å; L415-T417 VanDerWaalsContact O-N 3.15Å; L415-H495 WeakPolarHBondContact CD1-NE2 3.45Å; L415-H495 WeakPolarHBondContact CD2-CE1 3.2Å; L415-H495 WeakPolarHBondContact CD2-NE2 3.47Å; L415-H495 WeakPolarHBondContact CG-NE2 3.23Å; L415-V499 HydrophobicContact CD1-CG2 4.21Å | ||
| 416 | G | 30 | Very low | 30.9 | Very low | 49 Ų | 49 | 88.5 Ų | 88.5 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | trans | -63.6 | 114.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 417 | T | 30.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 92.4 Ų | 92.4 | 71% | 0.712 | 59% | 0.586 | S | S | * | * | trans | -76.9 | 121.2 | 162.1 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | L415 N419 | L415-T417 PolarHBondContact O-N 2.86Å; L415-T417 VanDerWaalsContact O-N 3.15Å; T417-N419 PolarHBondContact O-N 3.02Å; T417-N419 VanDerWaalsContact O-N 3.13Å | ||
| 418 | G | 27.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 93.5 Ų | 93.5 | 78% | 0.784 | 59% | 0.589 | S | S | * | * | trans | -69.4 | 104.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | S420 | G418-S420 PolarHBondContact O-N 2.9Š| ||
| 419 | N | 29.6 | Very low | 30.6 | Very low | 141 Ų | 141 | 94.9 Ų | 94.9 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | trans | -77.7 | 103 | 170.6 | -92.3 | -5.8 | 0 | 0 | 0 | 110.3 | T417 T421 | T417-N419 PolarHBondContact O-N 3.02Å; T417-N419 VanDerWaalsContact O-N 3.13Å; N419-T421 PolarHBondContact O-N 2.88Å | ||
| 420 | S | 25.4 | Very low | 30.5 | Very low | 113 Ų | 113 | 93.1 Ų | 93.1 | 79% | 0.79 | 60% | 0.596 | S | S | * | * | trans | -76.6 | 96 | 153.4 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | G418 | G418-S420 PolarHBondContact O-N 2.9Š| ||
| 421 | T | 31 | Very low | 30.4 | Very low | 123 Ų | 123 | 97.6 Ų | 97.6 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | trans | -138.3 | 89.6 | 159.4 | 47.2 | 0 | 0 | 0 | 0 | 110.3 | N419 | N419-T421 PolarHBondContact O-N 2.88Š| ||
| 422 | S | 25.5 | Very low | 30.1 | Very low | 118 Ų | 118 | 103.3 Ų | 103.3 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | trans | -72.6 | 114.3 | 158.3 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 423 | S | 28.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 104.2 Ų | 104.2 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | 164.6 | 116.9 | 129.6 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 424 | S | 26.9 | Very low | 28.7 | Very low | 122 Ų | 122 | 111 Ų | 111 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | 71.2 | 108.8 | 130.7 | 172.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 425 | G | 25.8 | Very low | 28 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | 95 | 127.2 | 137.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 426 | G | 25.5 | Very low | 27.7 | Very low | 60 Ų | 60 | 118.7 Ų | 118.7 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | cis | 173.4 | 159 | 1.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 427 | Y | 25.7 | Very low | 27.7 | Very low | 205 Ų | 205 | 121.4 Ų | 121.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 89.6 | 111.9 | 149.9 | -60.8 | -64.3 | 0 | 0 | 0 | 121.7 | ||||
| 428 | F | 26.2 | Very low | 27.7 | Very low | 169 Ų | 169 | 123.7 Ų | 123.7 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 70.8 | 136.3 | 140.2 | -69.4 | -64.1 | 0 | 0 | 0 | 118.4 | ||||
| 429 | E | 26.6 | Very low | 27.8 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | cis | -162.5 | 152.9 | 7.5 | -151.6 | 154.7 | -150.3 | 0 | 0 | 109.1 | ||||
| 430 | A | 25 | Very low | 27.8 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -81.3 | 156 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 431 | T | 28.9 | Very low | 27.8 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | -163.7 | 137.3 | 129.8 | 12.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 432 | S | 26.3 | Very low | 27.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -94.6 | 154.2 | -171.4 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 433 | G | 29 | Very low | 27.7 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | trans | 168.2 | 88.7 | 161 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 434 | T | 31.8 | Very low | 27.7 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | 92.5 | 122.8 | 102.4 | 49.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 435 | N | 25.1 | Very low | 27.6 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -69.8 | 152.7 | 179.1 | -65.3 | -35 | 0 | 0 | 0 | 114.5 | ||||
| 436 | A | 30.2 | Very low | 27.7 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -169.6 | 111.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 437 | S | 29.7 | Very low | 27.7 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 44.5 | 117.3 | 132.3 | 62.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 438 | N | 30.3 | Very low | 27.7 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | 73.6 | 148.4 | 127.4 | -76 | -0.5 | 0 | 0 | 0 | 124.1 | |||||
| 439 | P | 30.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -114.2 | 159.5 | -148.3 | 38.7 | -24.9 | 0 | 0 | 0 | 114.8 | ||||
| 440 | I | 29.6 | Very low | 27.8 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -131.5 | 133.2 | 167.9 | -65.1 | 177 | 0 | 0 | 0 | 109.6 | ||||
| 441 | S | 25.5 | Very low | 28 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -58.9 | 135.1 | 174.9 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 442 | T | 29.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 128 Ų | 128 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -154.9 | 130.6 | 146.1 | 37.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 443 | S | 24.2 | Very low | 27.7 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -48.9 | 128.7 | 167 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 444 | S | 28.7 | Very low | 27.6 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -167.4 | 122.5 | 147.7 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | N446 | S444-N446 PolarHBondContact O-N 3.26Š| ||
| 445 | D | 25.6 | Very low | 27.1 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -53.2 | 114.2 | 165.7 | -57.9 | -58.9 | 0 | 0 | 0 | 110 | ||||
| 446 | N | 27.2 | Very low | 27.2 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -165.3 | 117.9 | 158.2 | -91.4 | -26.9 | 0 | 0 | 0 | 108.6 | S444 D448 | S444-N446 PolarHBondContact O-N 3.26Å; N446-D448 VanDerWaalsContact C-N 3.31Å; N446-D448 PolarHBondContact O-N 2.9Å | ||
| 447 | L | 26.2 | Very low | 26.9 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -95.7 | 58.3 | -168.3 | -144.8 | 132.5 | 0 | 0 | 0 | 109.8 | ||||
| 448 | D | 26.2 | Very low | 26.9 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | trans | -114.8 | 134.1 | 172.7 | -72.4 | -39.7 | 0 | 0 | 0 | 108.4 | N446 | N446-D448 VanDerWaalsContact C-N 3.31Å; N446-D448 PolarHBondContact O-N 2.9Å | ||
| 449 | S | 27.9 | Very low | 26.7 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 98.1 | 90.4 | 173.6 | -36.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 450 | A | 27.2 | Very low | 26.6 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -131.3 | 56 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 451 | I | 27.8 | Very low | 26.4 | Very low | 122 Ų | 122 | 127 Ų | 127 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | -130.3 | 94.8 | 158.9 | -60.2 | -177.1 | 0 | 0 | 0 | 106.9 | ||||
| 452 | F | 25 | Very low | 26.4 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 77% | 0.772 | 77% | 0.765 | S | S | * | * | trans | -98 | 111.2 | 169.8 | -111.2 | -85.9 | 0 | 0 | 0 | 108.6 | L454 | F452-L454 PolarHBondContact O-N 2.73Š| ||
| 453 | V | 25.2 | Very low | 26.4 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | -74.7 | 106.7 | 171.9 | 176 | 0 | 0 | 0 | 0 | 108 | N455 | V453-N455 PolarHBondContact O-N 2.7Š| ||
| 454 | L | 25.7 | Very low | 26.4 | Very low | 147 Ų | 147 | 129 Ų | 129 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -90.1 | 96.5 | 171.7 | -84.6 | 162.5 | 0 | 0 | 0 | 109.6 | F452 S456 | F452-L454 PolarHBondContact O-N 2.73Å; L454-S456 PolarHBondContact O-N 2.96Å; L454-S456 VanDerWaalsContact O-N 3.16Å | ||
| 455 | N | 22.7 | Very low | 26.4 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -65.2 | 103.2 | 161.1 | -80.8 | -23.5 | 0 | 0 | 0 | 108.8 | V453 | V453-N455 PolarHBondContact O-N 2.7Š| ||
| 456 | S | 27.3 | Very low | 26.6 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -102.1 | 89.7 | 167.8 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | L454 S458 | L454-S456 PolarHBondContact O-N 2.96Å; L454-S456 VanDerWaalsContact O-N 3.16Å; S456-S458 PolarHBondContact O-N 3.14Å | ||
| 457 | S | 23 | Very low | 26.6 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -65.7 | 99.5 | 151.6 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 458 | S | 29.1 | Very low | 26.8 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -158.4 | 109.7 | 162.8 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | S456 | S456-S458 PolarHBondContact O-N 3.14Š| ||
| 459 | T | 27.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | -11.6 | 133.6 | 162.4 | 50.4 | 0 | 0 | 0 | 0 | 117.9 | N461 | T459-N461 PolarHBondContact O-N 3.39Š| ||
| 460 | P | 27.8 | Very low | 27.7 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -75.8 | 107.6 | 172.4 | 30.6 | -28.8 | 0 | 0 | 0 | 109.4 | ||||
| 461 | N | 26.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -84.4 | 130.2 | 163.4 | -95.9 | -6.7 | 0 | 0 | 0 | 109.7 | T459 | T459-N461 PolarHBondContact O-N 3.39Š| ||
| 462 | T | 25.2 | Very low | 29.2 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 83% | 0.828 | 70% | 0.701 | S | S | * | * | trans | -64.4 | 118 | -174.9 | 50.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 463 | S | 28.2 | Very low | 30.6 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | -153.5 | 132.2 | 143.5 | 72.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 464 | N | 25.4 | Very low | 32.5 | Very low | 147 Ų | 147 | 110.5 Ų | 110.5 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | trans | -57.9 | 157.9 | -165.8 | -63.9 | -36.1 | 0 | 0 | 0 | 116.7 | ||||
| 465 | N | 27 | Very low | 34.5 | Very low | 147 Ų | 147 | 104.6 Ų | 104.6 | 79% | 0.786 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 93.3 | 59.2 | 159.9 | -54.1 | -14.2 | 0 | 0 | 0 | 118.4 | ||
| 466 | N | 31.4 | Very low | 36.4 | Very low | 137 Ų | 137 | 104.4 Ų | 104.4 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | trans | 161 | 97.3 | 135.3 | -87.1 | -26.2 | 0 | 0 | 0 | 109.6 | ||||
| 467 | P | 25.5 | Very low | 38.8 | Very low | 112 Ų | 112 | 101.9 Ų | 101.9 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | trans | -76 | 137.5 | 168.5 | 32.2 | -27.1 | 0 | 0 | 0 | 108.2 | ||||
| 468 | N | 31.7 | Very low | 41.9 | Very low | 158 Ų | 158 | 96.6 Ų | 96.6 | 85% | 0.845 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 114.5 | 18.2 | 164.5 | -51.8 | -18.3 | 0 | 0 | 0 | 119.6 | ||
| 469 | I | 37.1 | Very low | 44.9 | Very low | 99 Ų | 99 | 92 Ų | 92 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | trans | -126.5 | 76 | 166.9 | -50.5 | 175.9 | 0 | 0 | 0 | 109.7 | ||||
| 470 | S | 35.4 | Very low | 48.1 | Very low | 93 Ų | 93 | 86.5 Ų | 86.5 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 116.4 | 166.3 | -167.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 471 | G | 40.2 | Very low | 51.3 | Low | 31 Ų | 31 | 80.5 Ų | 80.5 | 32% | 0.32 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 137.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 472 | G | 47.1 | Very low | 54.6 | Low | 12 Ų | 12 | 73.1 Ų | 73.1 | 12% | 0.124 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 168.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L414 W474 | L414-G472 CarbonylContact O-C 3.38Å; L414-G472 WeakPolarHBondContact O-CA 3.15Å; G472-W474 PolarHBondContact O-N 2.93Å |
| 473 | I | 52.7 | Low | 57.9 | Low | 91 Ų | 91 | 66.7 Ų | 66.7 | 47% | 0.467 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 131.9 | 167.5 | -59.4 | 172.1 | 0 | 0 | 0 | 106.7 | P412 L413 L414 | P412-I473 CarbonylContact C-O 3.57Å; P412-I473 VanDerWaalsContact C-O 3.3Å; P412-I473 CarbonylContact O-C 3.49Å; L413-I473 VanDerWaalsContact CA-O 3.24Å; L413-I473 WeakPolarHBondContact CA-O 3.44Å; L414-I473 PolarHBondContact O-N 3.21Å; L414-I473 VanDerWaalsContact O-N 3.07Å |
| 474 | W | 66.5 | Low | 60.9 | Low | 29 Ų | 29 | 61.1 Ų | 61.1 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | trans | -110.5 | 157.2 | 173.9 | -75.2 | 79.1 | 0 | 0 | 0 | 109.6 | P412 L413 G472 N476 I481 L496 V499 L500 L505 | P412-W474 WeakPolarHBondContact O-CA 3.43Å; L413-W474 HydrophobicContact CD2-CD2 4.17Å; L413-W474 HydrophobicContact CD2-CE3 3.9Å; L413-W474 HydrophobicContact CD2-CH2 4.48Å; L413-W474 HydrophobicContact CD2-CZ3 4.07Å; G472-W474 PolarHBondContact O-N 2.93Å; W474-N476 PolarHBondContact O-N 3.24Å; W474-I481 HydrophobicContact CH2-CD1 4.34Å; W474-I481 HydrophobicContact CZ3-CD1 3.66Å; W474-L496 HydrophobicContact CH2-CD2 3.82Å; W474-L496 HydrophobicContact CZ2-CD2 4.41Å; W474-V499 HydrophobicContact CZ2-CB 3.91Å; W474-V499 HydrophobicContact CZ2-CG1 3.42Å; W474-V499 VanDerWaalsContact CZ2-CG1 3.42Å; W474-L500 HydrophobicContact CE3-CD2 4.47Å; W474-L500 HydrophobicContact CH2-CD1 4.41Å; W474-L500 HydrophobicContact CH2-CD2 3.39Å; W474-L500 HydrophobicContact CH2-CG 3.71Å; W474-L500 HydrophobicContact CZ2-CD2 4.01Å; W474-L500 HydrophobicContact CZ2-CG 4.31Å; W474-L500 HydrophobicContact CZ3-CD2 3.65Å; W474-L500 HydrophobicContact CZ3-CG 4.37Å; W474-L505 HydrophobicContact CD2-CD2 4Å; W474-L505 HydrophobicContact CG-CD2 3.75Å; W474-L505 HydrophobicContact CZ2-CD2 4.49Å | ||
| 475 | P | 67 | Low | 64 | Low | 23 Ų | 23 | 54.1 Ų | 54.1 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | trans | -52.9 | 135.7 | 165.9 | -21.4 | 32.6 | 0 | 0 | 0 | 109.9 | F333 P412 S477 | F333-P475 HydrophobicContact CE2-CG 3.7Å; F333-P475 HydrophobicContact CZ-CG 3.85Å; P412-P475 WeakPolarHBondContact O-CD 3.49Å; P475-S477 PolarHBondContact O-N 3.01Å; P475-S477 VanDerWaalsContact O-N 3.13Å | ||
| 476 | N | 63.3 | Low | 66.7 | Low | 145 Ų | 145 | 49.1 Ų | 49.1 | 78% | 0.775 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -67 | -10.6 | 178.4 | -70.9 | -32.6 | 0 | 0 | 0 | 112.9 | W474 | W474-N476 PolarHBondContact O-N 3.24Š|
| 477 | S | 77.9 | Confident | 69.2 | Low | 47 Ų | 47 | 44.3 Ų | 44.3 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -110.9 | 150.1 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | P475 C479 | P475-S477 PolarHBondContact O-N 3.01Å; P475-S477 VanDerWaalsContact O-N 3.13Å; S477-C479 PolarHBondContact O-N 3.08Å |
| 478 | P | 87.9 | Confident | 72.1 | Confident | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | trans | -58.1 | 136.8 | 172.8 | 25.5 | -34.4 | 0 | 0 | 0 | 110.2 | L203 G207 L326 S330 | L203-P478 HydrophobicContact CD2-CB 3.93Å; G207-P478 VanDerWaalsContact O-CB 3.24Å; G207-P478 WeakPolarHBondContact O-CB 3.42Å; L326-P478 HydrophobicContact CD1-CG 4.07Å; L326-P478 HydrophobicContact CD2-CG 3.94Å; L326-P478 HydrophobicContact CG-CG 3.84Å; S330-P478 WeakPolarHBondContact CA-O 3.38Å; S330-P478 WeakPolarHBondContact CB-O 3.34Å; S330-P478 PolarHBondContact OG-O 3.11Å | ||
| 479 | C | 91.6 | Very high | 74.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -131.5 | 155.9 | -176 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | N208 V209 P331 F333 S477 | N208-C479 WeakPolarHBondContact CA-O 3.29Å; N208-C479 PolarHBondContact OD1-N 3.06Å; N208-C479 VanDerWaalsContact OD1-N 3.11Å; N208-C479 PolarHBondContact OD1-SG 2.94Å; V209-C479 PolarHBondContact N-O 3.24Å; P331-C479 HydrophobicContact CG-CB 3.88Å; P331-C479 WeakPolarHBondContact O-CA 3.4Å; P331-C479 WeakPolarHBondContact O-CB 3.01Å; F333-C479 HydrophobicContact CD2-CB 3.94Å; F333-C479 HydrophobicContact CE2-CB 3.74Å; S477-C479 PolarHBondContact O-N 3.08Å | ||
| 480 | L | 95.1 | Very high | 77 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.5 | 170.7 | 171.7 | 61.6 | 0 | 0 | 0 | 108.3 | V199 V209 V211 A226 P331 I332 F333 F482 | V199-L480 HydrophobicContact CG1-CD2 4.1Å; V199-L480 HydrophobicContact CG2-CD1 4.41Å; V209-L480 HydrophobicContact CB-CD1 3.66Å; V209-L480 HydrophobicContact CG1-CD1 3.55Å; V209-L480 CarbonylContact O-C 3.58Å; V211-L480 HydrophobicContact CG2-CD1 3.88Å; A226-L480 HydrophobicContact CB-CD2 3.82Å; P331-L480 PolarHBondContact O-N 3.14Å; P331-L480 VanDerWaalsContact O-N 3.09Å; I332-L480 CarbonylContact C-O 3.55Å; I332-L480 VanDerWaalsContact CA-O 3.3Å; I332-L480 WeakPolarHBondContact CA-O 3.29Å; I332-L480 HydrophobicContact CD1-CD2 4.33Å; I332-L480 HydrophobicContact CG1-CB 4.32Å; I332-L480 HydrophobicContact CG1-CD2 4.28Å; I332-L480 HydrophobicContact CG2-CD2 4.31Å; I332-L480 HydrophobicContact CG2-CG 4.34Å; F333-L480 PolarHBondContact N-O 3.32Å; L480-F482 HydrophobicContact CD1-CE2 4.25Å; L480-F482 HydrophobicContact CD1-CZ 4.45Å; L480-F482 HydrophobicContact CD2-CE2 3.59Å; L480-F482 HydrophobicContact CD2-CZ 4.04Å; L480-F482 HydrophobicContact CG-CD2 4.28Å; L480-F482 HydrophobicContact CG-CE2 3.77Å; L480-F482 HydrophobicContact CG-CZ 4.38Å |
| 481 | I | 95 | Very high | 79.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 116.5 | -176.3 | -53.7 | 174.3 | 0 | 0 | 0 | 108.9 | V209 L210 V211 F333 I335 W474 A483 L496 | V209-I481 PolarHBondContact O-N 3.33Å; L210-I481 CarbonylContact C-O 3.42Å; L210-I481 WeakPolarHBondContact CA-O 3.43Å; L210-I481 HydrophobicContact CD1-CB 4.13Å; L210-I481 HydrophobicContact CD1-CG2 4.02Å; V211-I481 PolarHBondContact N-O 3.25Å; F333-I481 HydrophobicContact CB-CG1 4.27Å; F333-I481 HydrophobicContact CB-CG2 4.3Å; F333-I481 HydrophobicContact CD2-CG1 4.2Å; F333-I481 WeakPolarHBondContact O-CA 3.36Å; I335-I481 HydrophobicContact CD1-CG2 3.7Å; I335-I481 HydrophobicContact CG1-CG2 4.21Å; W474-I481 HydrophobicContact CH2-CD1 4.34Å; W474-I481 HydrophobicContact CZ3-CD1 3.66Å; I481-A483 HydrophobicContact CG2-CB 4.35Å; I481-L496 HydrophobicContact CD1-CD2 4.48Å; I481-L496 HydrophobicContact CG2-CD1 3.92Å |
| 482 | F | 95.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.7 | 161.8 | -65.3 | -85.5 | 0 | 0 | 0 | 108.3 | F195 V211 I219 L223 I332 F333 F334 I335 L480 | F195-F482 HydrophobicContact CZ-CE1 4.34Å; F195-F482 HydrophobicContact CZ-CZ 4.17Å; V211-F482 HydrophobicContact CB-CD1 3.57Å; V211-F482 HydrophobicContact CB-CE1 3.74Å; V211-F482 HydrophobicContact CB-CG 4.42Å; V211-F482 HydrophobicContact CG1-CD1 3.77Å; V211-F482 HydrophobicContact CG1-CE1 3.75Å; V211-F482 HydrophobicContact CG2-CD1 4.2Å; V211-F482 HydrophobicContact CG2-CE1 3.94Å; V211-F482 HydrophobicContact CG2-CZ 4.46Å; V211-F482 WeakPolarHBondContact O-CA 3.33Å; I219-F482 HydrophobicContact CD1-CB 4.2Å; I219-F482 HydrophobicContact CD1-CD1 3.13Å; I219-F482 HydrophobicContact CD1-CE1 3.45Å; I219-F482 VanDerWaalsContact CD1-CE1 3.45Å; I219-F482 HydrophobicContact CD1-CG 3.72Å; I219-F482 HydrophobicContact CD1-CZ 4.3Å; L223-F482 HydrophobicContact CD2-CD2 3.56Å; L223-F482 HydrophobicContact CD2-CE2 3.47Å; L223-F482 VanDerWaalsContact CD2-CE2 3.47Å; L223-F482 HydrophobicContact CD2-CG 4.33Å; L223-F482 HydrophobicContact CD2-CZ 4.17Å; L223-F482 HydrophobicContact CG-CD2 4.5Å; L223-F482 HydrophobicContact CG-CE2 4.29Å; I332-F482 HydrophobicContact CG2-CD2 3.93Å; I332-F482 HydrophobicContact CG2-CE2 3.95Å; F333-F482 PolarHBondContact O-N 3.2Å; F334-F482 CarbonylContact C-O 3.58Å; F334-F482 WeakPolarHBondContact CA-O 3.48Å; F334-F482 HydrophobicContact CD2-CB 3.93Å; F334-F482 HydrophobicContact CE2-CB 4.42Å; F334-F482 HydrophobicContact CG-CB 4.37Å; I335-F482 PolarHBondContact N-O 2.91Å; L480-F482 HydrophobicContact CD1-CE2 4.25Å; L480-F482 HydrophobicContact CD1-CZ 4.45Å; L480-F482 HydrophobicContact CD2-CE2 3.59Å; L480-F482 HydrophobicContact CD2-CZ 4.04Å; L480-F482 HydrophobicContact CG-CD2 4.28Å; L480-F482 HydrophobicContact CG-CE2 3.77Å; L480-F482 HydrophobicContact CG-CZ 4.38Å |
| 483 | A | 94 | Very high | 83.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.8 | -178 | 0 | 0 | 0 | 0 | 0 | 110.2 | L210 V211 S213 I335 I481 P492 S493 L496 | L210-A483 HydrophobicContact CD1-CB 3.95Å; V211-A483 PolarHBondContact O-N 3.4Å; V211-A483 VanDerWaalsContact O-N 3.13Å; S213-A483 PolarHBondContact N-O 3.3Å; I335-A483 HydrophobicContact CB-CB 4.43Å; I335-A483 WeakPolarHBondContact O-CA 3.46Å; I481-A483 HydrophobicContact CG2-CB 4.35Å; A483-P492 HydrophobicContact CB-CG 4.32Å; A483-S493 VanDerWaalsContact C-OG 3.32Å; A483-S493 VanDerWaalsContact CB-OG 3.3Å; A483-S493 WeakPolarHBondContact CB-OG 3.21Å; A483-S493 PolarHBondContact O-OG 3.16Å; A483-L496 HydrophobicContact CB-CD1 3.72Å |
| 484 | S | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -66.1 | 148.6 | 176.3 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | D52 S213 I335 P492 S493 | D52-S484 WeakPolarHBondContact OD2-CB 3.48Å; D52-S484 PolarHBondContact OD2-OG 3.09Å; S213-S484 VanDerWaalsContact O-CA 3.27Å; S213-S484 WeakPolarHBondContact O-CA 3.14Å; I335-S484 PolarHBondContact O-N 2.74Å; S484-P492 WeakPolarHBondContact O-CD 3.41Å; S484-S493 PolarHBondContact O-OG 3.25Å | ||
| 485 | H | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -156.5 | 137.4 | 164.9 | 64.3 | 78.6 | 0 | 0 | 0 | 108.7 | P212 S213 N214 L488 L490 Y530 | P212-H485 VanDerWaalsContact CA-CD2 3.41Å; P212-H485 WeakPolarHBondContact CA-CD2 3.45Å; P212-H485 WeakPolarHBondContact CB-CD2 3.34Å; P212-H485 WeakPolarHBondContact CB-NE2 3.48Å; P212-H485 PolarHBondContact O-NE2 3.38Å; S213-H485 PolarHBondContact N-CD2 3.15Å; S213-H485 PolarHBondContact N-NE2 3Å; N214-H485 PolarHBondContact OD1-O 3.44Å; N214-H485 VanDerWaalsContact OD1-O 3.12Å; H485-L488 PolarHBondContact ND1-N 2.87Å; H485-L490 WeakPolarHBondContact CB-O 3.25Å; H485-Y530 AromaticContact CE1-CE1 3.24Å; H485-Y530 WeakPolarHBondContact CE1-CE1 3.38Å; H485-Y530 AromaticContact CE1-CZ 3.12Å; H485-Y530 PolarHBondContact CE1-OH 2.81Å; H485-Y530 AromaticContact ND1-CE1 3.7Å; H485-Y530 AromaticContact ND1-CZ 3.86Å; H485-Y530 AromaticContact NE2-CZ 3.88Å; H485-Y530 PolarHBondContact NE2-OH 3.24Å | ||
| 486 | P | 84.4 | Confident | 87.8 | Confident | 42 Ų | 42 | 24.4 Ų | 24.4 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -74 | -31.3 | 169.5 | -23.3 | 34.5 | 0 | 0 | 0 | 113.3 | L53 L490 | L53-P486 HydrophobicContact CB-CG 4.27Å; L53-P486 HydrophobicContact CD1-CB 3.79Å; L53-P486 HydrophobicContact CD1-CG 3.67Å; P486-L490 HydrophobicContact CG-CB 4.41Å |
| 487 | S | 82.5 | Confident | 89.1 | Confident | 36 Ų | 36 | 17.6 Ų | 17.6 | 25% | 0.252 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -153.3 | 6 | -167.8 | 61.8 | 0 | 0 | 0 | 0 | 115 | R489 | S487-R489 PolarHBondContact O-N 3.14Å; S487-R489 VanDerWaalsContact O-N 3.11Å; S487-R489 WeakPolarHBondContact OG-CB 3.08Å; S487-R489 PolarHBondContact OG-N 3.45Å |
| 488 | L | 87.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 56.7 | 20.2 | -167.6 | -151.4 | 77.4 | 0 | 0 | 0 | 113.4 | P212 H485 L524 Y530 I551 I552 F555 | P212-L488 HydrophobicContact CB-CD1 3.52Å; P212-L488 HydrophobicContact CG-CD1 3.74Å; H485-L488 PolarHBondContact ND1-N 2.87Å; L488-L524 HydrophobicContact CD1-CD2 4.44Å; L488-L524 HydrophobicContact CD2-CD2 3.9Å; L488-Y530 HydrophobicContact CB-CD2 4.43Å; L488-I551 HydrophobicContact CD2-CG2 3.61Å; L488-I552 HydrophobicContact CD2-CD1 4.47Å; L488-F555 HydrophobicContact CD2-CE2 4.09Å; L488-F555 HydrophobicContact CG-CE2 4.16Å; L488-F555 HydrophobicContact CG-CZ 4.4Å |
| 489 | R | 85.2 | Confident | 89.4 | Confident | 97 Ų | 97 | 21 Ų | 21 | 37% | 0.366 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -116.5 | -19.6 | 169.5 | -52.6 | -61.7 | 174.3 | -112.2 | 6.3 | 112.4 | S487 I551 | S487-R489 PolarHBondContact O-N 3.14Å; S487-R489 VanDerWaalsContact O-N 3.11Å; S487-R489 WeakPolarHBondContact OG-CB 3.08Å; S487-R489 PolarHBondContact OG-N 3.45Å; R489-I551 PolarHBondContact NH1-O 3.06Å; R489-I551 VanDerWaalsContact NH1-O 3.11Å; R489-I551 PolarHBondContact NH2-O 3.45Å |
| 490 | L | 85.9 | Confident | 89.2 | Confident | 36 Ų | 36 | 21 Ų | 21 | 19% | 0.188 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -129.2 | 157.7 | 179.5 | -56.8 | 170.3 | 0 | 0 | 0 | 108.1 | L53 L57 L60 H485 P486 | L53-L490 HydrophobicContact CD1-CD1 4.21Å; L57-L490 HydrophobicContact CD2-CD1 3.99Å; L60-L490 HydrophobicContact CD1-CD2 3.17Å; L60-L490 HydrophobicContact CG-CD2 4.38Å; H485-L490 WeakPolarHBondContact CB-O 3.25Å; P486-L490 HydrophobicContact CG-CB 4.41Å |
| 491 | G | 87 | Confident | 88.8 | Confident | 11 Ų | 11 | 21 Ų | 21 | 11% | 0.113 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 102 | 165.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E56 S493 V494 | E56-G491 WeakPolarHBondContact OE2-CA 3.39Å; E56-G491 PolarHBondContact OE2-N 3.13Å; G491-S493 PolarHBondContact O-N 3.09Å; G491-V494 PolarHBondContact O-N 3.28Å |
| 492 | P | 88.6 | Confident | 88.3 | Confident | 11 Ų | 11 | 23.7 Ų | 23.7 | 7% | 0.071 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.9 | -28.2 | 177.2 | 23.1 | -34.4 | 0 | 0 | 0 | 113 | I335 L385 A483 S484 V494 H495 L496 | I335-P492 HydrophobicContact CG2-CB 4.05Å; I335-P492 HydrophobicContact CG2-CG 4Å; L385-P492 HydrophobicContact CD1-CB 3.81Å; L385-P492 HydrophobicContact CD2-CB 4.25Å; L385-P492 HydrophobicContact CG-CB 3.88Å; A483-P492 HydrophobicContact CB-CG 4.32Å; S484-P492 WeakPolarHBondContact O-CD 3.41Å; P492-V494 VanDerWaalsContact C-N 3.28Å; P492-V494 PolarHBondContact O-N 2.98Å; P492-H495 WeakPolarHBondContact O-CB 3.47Å; P492-H495 PolarHBondContact O-N 3.01Å; P492-L496 WeakPolarHBondContact O-CG 3.24Å; P492-L496 PolarHBondContact O-N 3.39Å |
| 493 | S | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -36.9 | 178 | -61.3 | 0 | 0 | 0 | 0 | 113.6 | A483 S484 G491 H495 T497 | A483-S493 VanDerWaalsContact C-OG 3.32Å; A483-S493 VanDerWaalsContact CB-OG 3.3Å; A483-S493 WeakPolarHBondContact CB-OG 3.21Å; A483-S493 PolarHBondContact O-OG 3.16Å; S484-S493 PolarHBondContact O-OG 3.25Å; G491-S493 PolarHBondContact O-N 3.09Å; S493-H495 VanDerWaalsContact C-N 3.32Å; S493-T497 VanDerWaalsContact O-CB 3.26Å; S493-T497 WeakPolarHBondContact O-CB 3.44Å; S493-T497 PolarHBondContact O-N 3.48Å; S493-T497 PolarHBondContact O-OG1 2.64Å |
| 494 | V | 89.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 110 | G491 P492 R498 F555 | G491-V494 PolarHBondContact O-N 3.28Å; P492-V494 VanDerWaalsContact C-N 3.28Å; P492-V494 PolarHBondContact O-N 2.98Å; V494-R498 PolarHBondContact O-N 3.29Å; V494-F555 HydrophobicContact CB-CE1 4.46Å; V494-F555 HydrophobicContact CB-CZ 4.4Å; V494-F555 HydrophobicContact CG1-CE1 3.82Å; V494-F555 HydrophobicContact CG1-CZ 4.02Å; V494-F555 HydrophobicContact CG2-CZ 4.4Å |
| 495 | H | 87.5 | Confident | 83.9 | Confident | 55 Ų | 55 | 29.4 Ų | 29.4 | 26% | 0.255 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.2 | -52.6 | 179.2 | -171.6 | 67.5 | 0 | 0 | 0 | 111.2 | L385 L415 P492 S493 T497 R498 V499 | L385-H495 HydrophobicContact CD1-CB 4.08Å; L415-H495 WeakPolarHBondContact CD1-NE2 3.45Å; L415-H495 WeakPolarHBondContact CD2-CE1 3.2Å; L415-H495 WeakPolarHBondContact CD2-NE2 3.47Å; L415-H495 WeakPolarHBondContact CG-NE2 3.23Å; P492-H495 WeakPolarHBondContact O-CB 3.47Å; P492-H495 PolarHBondContact O-N 3.01Å; S493-H495 VanDerWaalsContact C-N 3.32Å; H495-T497 VanDerWaalsContact C-N 3.3Å; H495-T497 PolarHBondContact O-N 3.23Å; H495-R498 PolarHBondContact O-N 3.04Å; H495-R498 VanDerWaalsContact O-N 3.12Å; H495-V499 WeakPolarHBondContact NE2-CG2 3.43Å; H495-V499 WeakPolarHBondContact O-CG2 3.5Å; H495-V499 PolarHBondContact O-N 2.84Å |
| 496 | L | 90.6 | Very high | 81.7 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 178.9 | -69.8 | 166.1 | 0 | 0 | 0 | 112.4 | L210 I335 L385 W474 I481 A483 P492 R498 V499 L500 | L210-L496 HydrophobicContact CD1-CB 4.06Å; L210-L496 HydrophobicContact CD1-CD1 3.84Å; L210-L496 HydrophobicContact CD2-CB 3.74Å; I335-L496 HydrophobicContact CD1-CD1 4.08Å; L385-L496 HydrophobicContact CD2-CD1 4.08Å; L385-L496 HydrophobicContact CD2-CD2 3.95Å; L385-L496 HydrophobicContact CD2-CG 4.04Å; W474-L496 HydrophobicContact CH2-CD2 3.82Å; W474-L496 HydrophobicContact CZ2-CD2 4.41Å; I481-L496 HydrophobicContact CD1-CD2 4.48Å; I481-L496 HydrophobicContact CG2-CD1 3.92Å; A483-L496 HydrophobicContact CB-CD1 3.72Å; P492-L496 WeakPolarHBondContact O-CG 3.24Å; P492-L496 PolarHBondContact O-N 3.39Å; L496-R498 VanDerWaalsContact C-N 3.34Å; L496-R498 PolarHBondContact O-N 2.98Å; L496-V499 PolarHBondContact O-N 3.38Å; L496-L500 WeakPolarHBondContact O-CB 3.27Å; L496-L500 VanDerWaalsContact O-CG 3.31Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 3.17Å |
| 497 | T | 90.6 | Very high | 79.8 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | 175.1 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | L210 S493 H495 A501 I522 F555 L578 | L210-T497 WeakPolarHBondContact CD2-OG1 3.44Å; S493-T497 VanDerWaalsContact O-CB 3.26Å; S493-T497 WeakPolarHBondContact O-CB 3.44Å; S493-T497 PolarHBondContact O-N 3.48Å; S493-T497 PolarHBondContact O-OG1 2.64Å; H495-T497 VanDerWaalsContact C-N 3.3Å; H495-T497 PolarHBondContact O-N 3.23Å; T497-A501 VanDerWaalsContact O-CB 3.29Å; T497-A501 WeakPolarHBondContact O-CB 3.49Å; T497-A501 PolarHBondContact O-N 3.07Å; T497-A501 VanDerWaalsContact O-N 3.09Å; T497-I522 HydrophobicContact CG2-CD1 3.92Å; T497-F555 HydrophobicContact CG2-CD1 3.49Å; T497-F555 VanDerWaalsContact CG2-CD1 3.49Å; T497-F555 HydrophobicContact CG2-CD2 4.33Å; T497-F555 HydrophobicContact CG2-CE1 3.6Å; T497-F555 HydrophobicContact CG2-CE2 4.42Å; T497-F555 HydrophobicContact CG2-CG 3.88Å; T497-F555 HydrophobicContact CG2-CZ 4.08Å; T497-L578 HydrophobicContact CG2-CD2 3.88Å |
| 498 | R | 87.6 | Confident | 77.5 | Confident | 127 Ų | 127 | 45.7 Ų | 45.7 | 48% | 0.479 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 178.2 | -71.1 | -176.6 | -170.3 | 150.5 | 4 | 112.2 | V494 H495 L496 Y502 G503 F555 | V494-R498 PolarHBondContact O-N 3.29Å; H495-R498 PolarHBondContact O-N 3.04Å; H495-R498 VanDerWaalsContact O-N 3.12Å; L496-R498 VanDerWaalsContact C-N 3.34Å; L496-R498 PolarHBondContact O-N 2.98Å; R498-Y502 WeakPolarHBondContact O-CA 3.41Å; R498-Y502 WeakPolarHBondContact O-CB 3.49Å; R498-Y502 PolarHBondContact O-N 3.4Å; R498-G503 PolarHBondContact O-N 3.22Å; R498-F555 HydrophobicContact CG-CD1 4.07Å; R498-F555 HydrophobicContact CG-CE1 4.29Å |
| 499 | V | 85.4 | Confident | 75.1 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.3 | -38.1 | -178.8 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | L415 W474 H495 L496 A501 G503 | L415-V499 HydrophobicContact CD1-CG2 4.21Å; W474-V499 HydrophobicContact CZ2-CB 3.91Å; W474-V499 HydrophobicContact CZ2-CG1 3.42Å; W474-V499 VanDerWaalsContact CZ2-CG1 3.42Å; H495-V499 WeakPolarHBondContact NE2-CG2 3.43Å; H495-V499 WeakPolarHBondContact O-CG2 3.5Å; H495-V499 PolarHBondContact O-N 2.84Å; L496-V499 PolarHBondContact O-N 3.38Å; V499-A501 VanDerWaalsContact C-N 3.35Å; V499-G503 WeakPolarHBondContact O-CA 3.07Å; V499-G503 PolarHBondContact O-N 3.07Å |
| 500 | L | 87.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 176.3 | -70.8 | 173.6 | 0 | 0 | 0 | 112.7 | N208 L210 W474 L496 L505 N520 I522 T581 | N208-L500 HydrophobicContact CB-CD2 3.87Å; L210-L500 HydrophobicContact CB-CD1 3.55Å; L210-L500 HydrophobicContact CD2-CD1 4.04Å; L210-L500 HydrophobicContact CG-CD1 4.38Å; W474-L500 HydrophobicContact CE3-CD2 4.47Å; W474-L500 HydrophobicContact CH2-CD1 4.41Å; W474-L500 HydrophobicContact CH2-CD2 3.39Å; W474-L500 HydrophobicContact CH2-CG 3.71Å; W474-L500 HydrophobicContact CZ2-CD2 4.01Å; W474-L500 HydrophobicContact CZ2-CG 4.31Å; W474-L500 HydrophobicContact CZ3-CD2 3.65Å; W474-L500 HydrophobicContact CZ3-CG 4.37Å; L496-L500 WeakPolarHBondContact O-CB 3.27Å; L496-L500 VanDerWaalsContact O-CG 3.31Å; L496-L500 WeakPolarHBondContact O-CG 3.48Å; L496-L500 PolarHBondContact O-N 3.17Å; L500-L505 HydrophobicContact CD2-CD1 4.3Å; L500-N520 HydrophobicContact CB-CB 4.34Å; L500-N520 HydrophobicContact CD2-CB 4.2Å; L500-N520 PolarHBondContact O-ND2 2.89Å; L500-I522 HydrophobicContact CD1-CG1 4.49Å; L500-T581 PolarHBondContact O-OG1 2.81Å |
| 501 | A | 86.2 | Confident | 69.8 | Low | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -84.8 | -38.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T497 V499 L578 S579 T581 A582 | T497-A501 VanDerWaalsContact O-CB 3.29Å; T497-A501 WeakPolarHBondContact O-CB 3.49Å; T497-A501 PolarHBondContact O-N 3.07Å; T497-A501 VanDerWaalsContact O-N 3.09Å; V499-A501 VanDerWaalsContact C-N 3.35Å; A501-L578 HydrophobicContact CB-CB 4.49Å; A501-L578 HydrophobicContact CB-CD2 3.56Å; A501-L578 HydrophobicContact CB-CG 3.75Å; A501-S579 WeakPolarHBondContact CA-OG 3.27Å; A501-S579 WeakPolarHBondContact O-CB 3.29Å; A501-S579 PolarHBondContact O-OG 2.82Å; A501-T581 PolarHBondContact O-OG1 2.76Å; A501-A582 HydrophobicContact CB-CB 3.98Å |
| 502 | Y | 84.4 | Confident | 66.9 | Low | 56 Ų | 56 | 57.3 Ų | 57.3 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -128.2 | -5.1 | -169.9 | -53.5 | -61.7 | 0 | 0 | 0 | 113.7 | R498 F555 Q557 L578 | R498-Y502 WeakPolarHBondContact O-CA 3.41Å; R498-Y502 WeakPolarHBondContact O-CB 3.49Å; R498-Y502 PolarHBondContact O-N 3.4Å; Y502-F555 VanDerWaalsContact CE2-O 3.28Å; Y502-F555 WeakPolarHBondContact CE2-O 3.45Å; Y502-F555 PolarHBondContact OH-O 3.22Å; Y502-Q557 HydrophobicContact CE1-CG 3.92Å; Y502-Q557 VanDerWaalsContact CE1-NE2 3.33Å; Y502-L578 PolarHBondContact OH-O 3.14Å |
| 503 | G | 71.3 | Confident | 64 | Low | 6 Ų | 6 | 67.6 Ų | 67.6 | 6% | 0.062 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -72 | 132.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R498 V499 L505 | R498-G503 PolarHBondContact O-N 3.22Å; V499-G503 WeakPolarHBondContact O-CA 3.07Å; V499-G503 PolarHBondContact O-N 3.07Å; G503-L505 PolarHBondContact O-N 3.47Å |
| 504 | G | 61.5 | Low | 60.9 | Low | 65 Ų | 65 | 75 Ų | 75 | 67% | 0.67 | 46% | 0.455 | S | S | * | . | trans | -69.7 | 78.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R506 | G504-R506 PolarHBondContact O-N 3.19Š| ||
| 505 | L | 56.9 | Low | 58.3 | Low | 49 Ų | 49 | 79.3 Ų | 79.3 | 26% | 0.257 | 49% | 0.486 | S | S | . | . | trans | -72.8 | 88.4 | 176 | -61.9 | 174.3 | 0 | 0 | 0 | 109.2 | W474 L500 G503 S507 N520 | W474-L505 HydrophobicContact CD2-CD2 4Å; W474-L505 HydrophobicContact CG-CD2 3.75Å; W474-L505 HydrophobicContact CZ2-CD2 4.49Å; L500-L505 HydrophobicContact CD2-CD1 4.3Å; G503-L505 PolarHBondContact O-N 3.47Å; L505-S507 PolarHBondContact O-N 3.48Å; L505-S507 VanDerWaalsContact O-N 3.15Å; L505-N520 WeakPolarHBondContact CD1-ND2 3.29Å | ||
| 506 | R | 43.8 | Very low | 56.3 | Low | 240 Ų | 240 | 81.4 Ų | 81.4 | 91% | 0.906 | 51% | 0.506 | S | S | * | . | trans | -75.3 | 101.5 | 172.2 | -69.7 | -175.7 | 179.4 | -116.6 | 0.4 | 108.7 | G504 G508 | G504-R506 PolarHBondContact O-N 3.19Å; R506-G508 PolarHBondContact O-N 3.49Å; R506-G508 VanDerWaalsContact O-N 3.08Å | ||
| 507 | S | 43.6 | Very low | 54.6 | Low | 106 Ų | 106 | 86.2 Ų | 86.2 | 74% | 0.741 | 54% | 0.538 | S | S | * | . | trans | -58.2 | 111.4 | 166.9 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | L505 G509 | L505-S507 PolarHBondContact O-N 3.48Å; L505-S507 VanDerWaalsContact O-N 3.15Å; S507-G509 PolarHBondContact O-N 2.97Å | ||
| 508 | G | 35.7 | Very low | 53.6 | Low | 74 Ų | 74 | 87.8 Ų | 87.8 | 76% | 0.763 | 55% | 0.549 | S | S | * | . | trans | -71.5 | 95.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R506 | R506-G508 PolarHBondContact O-N 3.49Å; R506-G508 VanDerWaalsContact O-N 3.08Å | ||
| 509 | G | 35.6 | Very low | 53.5 | Low | 64 Ų | 64 | 82.6 Ų | 82.6 | 66% | 0.66 | 53% | 0.53 | S | S | * | . | trans | -152.1 | 92.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S507 S511 | S507-G509 PolarHBondContact O-N 2.97Å; G509-S511 PolarHBondContact O-N 3.48Å; G509-S511 VanDerWaalsContact O-N 3.08Å | ||
| 510 | S | 27.6 | Very low | 53.8 | Low | 129 Ų | 129 | 82.6 Ų | 82.6 | 90% | 0.902 | 53% | 0.53 | S | S | * | . | trans | -69.5 | 97.5 | 171 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 511 | S | 32.7 | Very low | 54.2 | Low | 103 Ų | 103 | 82.6 Ų | 82.6 | 72% | 0.72 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 169.2 | 102.6 | 149 | 38.5 | 0 | 0 | 0 | 0 | 112.5 | G509 R513 | G509-S511 PolarHBondContact O-N 3.48Å; G509-S511 VanDerWaalsContact O-N 3.08Å; S511-R513 VanDerWaalsContact C-N 3.26Å; S511-R513 PolarHBondContact O-N 3.01Å |
| 512 | G | 27.3 | Very low | 54.6 | Low | 92 Ų | 92 | 82.4 Ų | 82.4 | 95% | 0.948 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 48.5 | 7.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||
| 513 | R | 26.6 | Very low | 55 | Low | 228 Ų | 228 | 79.8 Ų | 79.8 | 86% | 0.86 | 52% | 0.519 | S | S | * | . | trans | -121.5 | 121.2 | 176.3 | -91.4 | 176 | 146.8 | -177.9 | -7.4 | 109.9 | S511 S515 | S511-R513 VanDerWaalsContact C-N 3.26Å; S511-R513 PolarHBondContact O-N 3.01Å; R513-S515 VanDerWaalsContact C-N 3.3Å; R513-S515 PolarHBondContact O-N 3.25Å | ||
| 514 | T | 26.5 | Very low | 56 | Low | 155 Ų | 155 | 79.5 Ų | 79.5 | 95% | 0.951 | 52% | 0.516 | S | S | * | . | trans | -54.3 | 87.8 | 170.3 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 515 | S | 34.9 | Very low | 57.2 | Low | 105 Ų | 105 | 76.4 Ų | 76.4 | 73% | 0.734 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -98 | 131.6 | 167 | 48.9 | 0 | 0 | 0 | 0 | 107.5 | R513 | R513-S515 VanDerWaalsContact C-N 3.3Å; R513-S515 PolarHBondContact O-N 3.25Å |
| 516 | S | 46.6 | Very low | 58.2 | Low | 99 Ų | 99 | 74.8 Ų | 74.8 | 69% | 0.692 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 138.8 | 175.8 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | S518 | S516-S518 PolarHBondContact O-N 2.84Š|
| 517 | P | 54.6 | Low | 59.3 | Low | 106 Ų | 106 | 63.4 Ų | 63.4 | 69% | 0.688 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 138 | 176.1 | 23.4 | -32 | 0 | 0 | 0 | 109.9 | H519 | P517-H519 PolarHBondContact O-N 3.12Š|
| 518 | S | 69.6 | Low | 60.3 | Low | 35 Ų | 35 | 59.2 Ų | 59.2 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 130.8 | 176 | 46.6 | 0 | 0 | 0 | 0 | 109.5 | G206 S516 | G206-S518 VanDerWaalsContact O-CB 3.28Å; G206-S518 WeakPolarHBondContact O-CB 3.22Å; S516-S518 PolarHBondContact O-N 2.84Å |
| 519 | H | 85.1 | Confident | 61.6 | Low | 18 Ų | 18 | 59.5 Ų | 59.5 | 8% | 0.083 | 39% | 0.389 | C | S | . | . | trans | -108.4 | 123.8 | -176.3 | -158.3 | -70.3 | 0 | 0 | 0 | 109.4 | G207 F241 P517 D580 A582 T583 | G207-H519 WeakPolarHBondContact CA-O 3.29Å; F241-H519 HydrophobicContact CD1-CB 4.37Å; F241-H519 AromaticContact CD1-CE1 3.77Å; F241-H519 AromaticContact CD1-CG 3.84Å; F241-H519 AromaticContact CD1-ND1 3.27Å; F241-H519 VanDerWaalsContact CD1-ND1 3.27Å; F241-H519 WeakPolarHBondContact CD1-ND1 3.3Å; F241-H519 HydrophobicContact CD2-CB 3.87Å; F241-H519 HydrophobicContact CE1-CB 4.22Å; F241-H519 AromaticContact CE1-CE1 3.97Å; F241-H519 AromaticContact CE1-CG 3.9Å; F241-H519 AromaticContact CE1-ND1 3.16Å; F241-H519 WeakPolarHBondContact CE1-ND1 3.47Å; F241-H519 HydrophobicContact CE2-CB 3.72Å; F241-H519 HydrophobicContact CG-CB 4.2Å; F241-H519 AromaticContact CG-CG 3.96Å; F241-H519 AromaticContact CG-ND1 3.88Å; F241-H519 HydrophobicContact CZ-CB 3.89Å; F241-H519 AromaticContact CZ-ND1 3.69Å; F241-H519 WeakPolarHBondContact CZ-O 3.35Å; P517-H519 PolarHBondContact O-N 3.12Å; H519-D580 PolarHBondContact CD2-O 2.65Å; H519-A582 VanDerWaalsContact CE1-C 3.44Å; H519-A582 PolarHBondContact CE1-N 3.13Å; H519-T583 PolarHBondContact CE1-N 3.48Å; H519-T583 PolarHBondContact CE1-OG1 2.82Å | ||
| 520 | N | 92.1 | Very high | 63.1 | Low | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 157.4 | -175.3 | -55.7 | -54.2 | 0 | 0 | 0 | 111.2 | N208 L500 L505 T581 A582 T583 | N208-N520 PolarHBondContact N-OD1 3Å; N208-N520 WeakPolarHBondContact O-CA 3.38Å; N208-N520 WeakPolarHBondContact O-CB 3.17Å; L500-N520 HydrophobicContact CB-CB 4.34Å; L500-N520 HydrophobicContact CD2-CB 4.2Å; L500-N520 PolarHBondContact O-ND2 2.89Å; L505-N520 WeakPolarHBondContact CD1-ND2 3.29Å; N520-T581 WeakPolarHBondContact CB-O 3.07Å; N520-T581 PolarHBondContact N-O 3.42Å; N520-T581 PolarHBondContact ND2-O 3.4Å; N520-A582 HydrophobicContact CB-CB 4.39Å; N520-A582 WeakPolarHBondContact O-CA 3.33Å; N520-T583 PolarHBondContact O-N 3.02Å |
| 521 | S | 94.6 | Very high | 64.7 | Low | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.8 | 175.3 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | T202 N208 V209 L210 T583 Y585 | T202-S521 WeakPolarHBondContact CG2-OG 3.47Å; T202-S521 WeakPolarHBondContact OG1-CB 3.26Å; T202-S521 PolarHBondContact OG1-OG 3.33Å; N208-S521 PolarHBondContact O-N 2.6Å; V209-S521 CarbonylContact C-O 3.49Å; V209-S521 WeakPolarHBondContact CA-O 3.42Å; L210-S521 PolarHBondContact N-O 3.31Å; S521-T583 CarbonylContact C-O 3.49Å; S521-T583 WeakPolarHBondContact CA-O 3.44Å; S521-Y585 WeakPolarHBondContact OG-CE2 3.12Å |
| 522 | I | 94.6 | Very high | 65.9 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119 | 171.8 | -60.9 | 158.6 | 0 | 0 | 0 | 106.8 | L210 P212 T497 L500 L524 L578 A582 T583 V584 Y585 | L210-I522 HydrophobicContact CB-CG1 4.25Å; L210-I522 HydrophobicContact CD2-CG1 4.38Å; L210-I522 HydrophobicContact CD2-CG2 4.45Å; L210-I522 CarbonylContact O-C 3.52Å; L210-I522 WeakPolarHBondContact O-CA 3.39Å; P212-I522 HydrophobicContact CG-CG2 4.29Å; T497-I522 HydrophobicContact CG2-CD1 3.92Å; L500-I522 HydrophobicContact CD1-CG1 4.49Å; I522-L524 HydrophobicContact CG2-CD2 4.31Å; I522-L578 HydrophobicContact CD1-CD2 4.09Å; I522-A582 HydrophobicContact CD1-CB 4.28Å; I522-T583 PolarHBondContact N-O 2.95Å; I522-V584 HydrophobicContact CB-CG2 4.2Å; I522-V584 HydrophobicContact CD1-CG2 4.18Å; I522-V584 CarbonylContact O-C 3.56Å; I522-V584 VanDerWaalsContact O-CA 3.27Å; I522-V584 WeakPolarHBondContact O-CA 3.4Å; I522-Y585 PolarHBondContact O-N 3.3Å |
| 523 | I | 94.2 | Very high | 67.2 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.3 | -174.7 | -49.3 | 175.5 | 0 | 0 | 0 | 109.2 | F195 I198 V199 V209 L210 V211 P212 I525 L587 | F195-I523 HydrophobicContact CD2-CD1 3.9Å; F195-I523 HydrophobicContact CD2-CG2 4.12Å; F195-I523 HydrophobicContact CE2-CD1 4.11Å; I198-I523 HydrophobicContact CB-CD1 4.07Å; I198-I523 HydrophobicContact CG2-CD1 3.6Å; I198-I523 HydrophobicContact CG2-CG1 4.01Å; V199-I523 HydrophobicContact CG2-CD1 3.97Å; V209-I523 HydrophobicContact CG1-CD1 3.78Å; V209-I523 HydrophobicContact CG1-CG1 4.22Å; L210-I523 PolarHBondContact O-N 2.86Å; V211-I523 HydrophobicContact CG2-CB 4.42Å; P212-I523 VanDerWaalsContact CD-O 3.25Å; P212-I523 WeakPolarHBondContact CD-O 3.39Å; I523-I525 HydrophobicContact CG2-CG2 4.17Å; I523-L587 HydrophobicContact CG2-CB 4.27Å; I523-L587 HydrophobicContact CG2-CD1 3.79Å; I523-L587 HydrophobicContact CG2-CG 4.21Å |
| 524 | L | 91.4 | Very high | 68.4 | Low | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 114.2 | 178.6 | -57.8 | 179.3 | 0 | 0 | 0 | 109.9 | P212 L488 I522 L548 I551 I552 V584 Y585 L587 | P212-L524 HydrophobicContact CG-CD2 4.12Å; L488-L524 HydrophobicContact CD1-CD2 4.44Å; L488-L524 HydrophobicContact CD2-CD2 3.9Å; I522-L524 HydrophobicContact CG2-CD2 4.31Å; L524-L548 HydrophobicContact CD1-CD1 3.86Å; L524-I551 HydrophobicContact CD1-CG2 3.84Å; L524-I552 HydrophobicContact CD1-CD1 4Å; L524-I552 HydrophobicContact CD1-CG1 4.16Å; L524-V584 HydrophobicContact CD1-CG1 3.69Å; L524-V584 HydrophobicContact CG-CG1 3.76Å; L524-Y585 PolarHBondContact N-O 3.49Å; L524-L587 CarbonylContact O-C 3.56Å; L524-L587 PolarHBondContact O-N 2.77Å; L524-L587 VanDerWaalsContact O-O 3.07Å |
| 525 | I | 87.9 | Confident | 69.5 | Low | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -103.2 | -49.1 | -175.8 | 56.8 | 162.3 | 0 | 0 | 0 | 114.3 | V211 P212 L222 I523 S527 L587 M589 | V211-I525 HydrophobicContact CG1-CD1 3.76Å; V211-I525 HydrophobicContact CG1-CG1 3.92Å; V211-I525 HydrophobicContact CG1-CG2 4.08Å; P212-I525 WeakPolarHBondContact O-CG1 3.43Å; L222-I525 HydrophobicContact CD1-CD1 3.42Å; L222-I525 VanDerWaalsContact CD1-CD1 3.42Å; L222-I525 HydrophobicContact CD1-CG2 4.41Å; I523-I525 HydrophobicContact CG2-CG2 4.17Å; I525-S527 PolarHBondContact O-N 3.49Å; I525-L587 WeakPolarHBondContact CA-O 3.49Å; I525-M589 HydrophobicContact CB-CB 4.23Å; I525-M589 HydrophobicContact CB-SD 4.34Å; I525-M589 HydrophobicContact CG2-CG 4.4Å; I525-M589 HydrophobicContact CG2-SD 3.68Å; I525-M589 PolarHBondContact O-N 3.18Å | ||
| 526 | E | 78.1 | Confident | 70.1 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -99.2 | 48.4 | -173.7 | -63.4 | -173.8 | 114.6 | 0 | 0 | 112.8 | R18 N214 G528 Y530 | R18-E526 IonicContact NH2-OE1 3.26Å; R18-E526 PolarHBondContact NH2-OE1 3.43Å; R18-E526 VanDerWaalsContact NH2-OE1 3.09Å; N214-E526 WeakPolarHBondContact CB-OE2 3.39Å; N214-E526 PolarHBondContact N-OE2 3.14Å; N214-E526 PolarHBondContact ND2-OE2 3.37Å; E526-G528 VanDerWaalsContact C-N 3.34Å; E526-G528 PolarHBondContact O-N 2.72Å; E526-Y530 VanDerWaalsContact C-CZ 3.44Å; E526-Y530 VanDerWaalsContact C-OH 3.23Å; E526-Y530 WeakPolarHBondContact CA-OH 3.3Å; E526-Y530 WeakPolarHBondContact CB-OH 3.45Å; E526-Y530 WeakPolarHBondContact O-CE1 3.44Å; E526-Y530 PolarHBondContact O-OH 3.26Å |
| 527 | S | 65.8 | Low | 69.8 | Low | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -73.9 | -13.7 | -168.5 | 64.7 | 0 | 0 | 0 | 0 | 117.6 | I525 D529 Y530 W586 | I525-S527 PolarHBondContact O-N 3.49Å; S527-D529 PolarHBondContact O-N 3.05Å; S527-Y530 PolarHBondContact O-N 3.1Å; S527-W586 WeakPolarHBondContact OG-CZ2 3.46Å; S527-W586 PolarHBondContact OG-NE1 2.85Å |
| 528 | G | 64.7 | Low | 69.4 | Low | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -61 | -32.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E526 | E526-G528 VanDerWaalsContact C-N 3.34Å; E526-G528 PolarHBondContact O-N 2.72Å |
| 529 | D | 62.8 | Low | 68.4 | Low | 80 Ų | 80 | 44.9 Ų | 44.9 | 43% | 0.428 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -101.1 | -3.3 | -173 | -60.2 | -14.8 | 0 | 0 | 0 | 113.2 | R18 S527 V531 R592 | R18-D529 WeakPolarHBondContact CD-OD2 3.14Å; R18-D529 IonicContact CZ-OD2 3.76Å; R18-D529 VanDerWaalsContact CZ-OD2 3.24Å; R18-D529 IonicContact NE-OD2 2.95Å; R18-D529 IonicContact NH1-OD2 2.78Å; R18-D529 PolarHBondContact NH1-OD2 3.35Å; S527-D529 PolarHBondContact O-N 3.05Å; D529-V531 VanDerWaalsContact C-N 3.35Å; D529-R592 IonicContact OD1-CZ 2.79Å; D529-R592 IonicContact OD1-NH1 2.92Å; D529-R592 IonicContact OD1-NH2 3.25Å; D529-R592 PolarHBondContact OD1-NH2 3.35Å |
| 530 | Y | 67.3 | Low | 66.4 | Low | 19 Ų | 19 | 48.5 Ų | 48.5 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -20.8 | -179.4 | -54.6 | -22.1 | 0 | 0 | 0 | 113.4 | H485 L488 E526 S527 I551 | H485-Y530 AromaticContact CE1-CE1 3.24Å; H485-Y530 WeakPolarHBondContact CE1-CE1 3.38Å; H485-Y530 AromaticContact CE1-CZ 3.12Å; H485-Y530 PolarHBondContact CE1-OH 2.81Å; H485-Y530 AromaticContact ND1-CE1 3.7Å; H485-Y530 AromaticContact ND1-CZ 3.86Å; H485-Y530 AromaticContact NE2-CZ 3.88Å; H485-Y530 PolarHBondContact NE2-OH 3.24Å; L488-Y530 HydrophobicContact CB-CD2 4.43Å; E526-Y530 VanDerWaalsContact C-CZ 3.44Å; E526-Y530 VanDerWaalsContact C-OH 3.23Å; E526-Y530 WeakPolarHBondContact CA-OH 3.3Å; E526-Y530 WeakPolarHBondContact CB-OH 3.45Å; E526-Y530 WeakPolarHBondContact O-CE1 3.44Å; E526-Y530 PolarHBondContact O-OH 3.26Å; S527-Y530 PolarHBondContact O-N 3.1Å; Y530-I551 HydrophobicContact CD2-CD1 4.47Å; Y530-I551 HydrophobicContact CD2-CG2 4.1Å |
| 531 | V | 61.2 | Low | 64.4 | Low | 14 Ų | 14 | 49.2 Ų | 49.2 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -108.7 | 123.1 | -176.4 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | D529 S533 H547 R550 I551 | D529-V531 VanDerWaalsContact C-N 3.35Å; V531-S533 PolarHBondContact O-N 3.47Å; V531-H547 WeakPolarHBondContact CG2-CE1 3.43Å; V531-R550 HydrophobicContact CG1-CG 4.27Å; V531-I551 HydrophobicContact CG2-CD1 4.16Å; V531-I551 HydrophobicContact CG2-CG1 3.44Å; V531-I551 VanDerWaalsContact CG2-CG1 3.44Å |
| 532 | P | 57.4 | Low | 62.5 | Low | 51 Ų | 51 | 52.9 Ų | 52.9 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | trans | -55 | 130.6 | 177.1 | -23.8 | 32.1 | 0 | 0 | 0 | 111.5 | L84 F534 | L84-P532 HydrophobicContact CD1-CB 3.89Å; L84-P532 HydrophobicContact CD1-CG 3.76Å; P532-F534 HydrophobicContact CB-CD2 4.27Å; P532-F534 PolarHBondContact O-N 3.22Å | ||
| 533 | S | 56 | Low | 61.3 | Low | 59 Ų | 59 | 55.7 Ų | 55.7 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -68 | -12.4 | -176.4 | 41 | 0 | 0 | 0 | 0 | 115.4 | V531 E535 W536 | V531-S533 PolarHBondContact O-N 3.47Å; S533-E535 PolarHBondContact O-N 3.29Å; S533-W536 VanDerWaalsContact CB-CE3 3.41Å; S533-W536 PolarHBondContact O-N 3.31Å |
| 534 | F | 51.5 | Low | 60.3 | Low | 92 Ų | 92 | 57.9 Ų | 57.9 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -65.2 | -3.6 | -164.8 | -70.8 | -76 | 0 | 0 | 0 | 117 | L84 F90 P532 Y644 | L84-F534 HydrophobicContact CD2-CD2 3.58Å; L84-F534 HydrophobicContact CD2-CE2 3.89Å; L84-F534 HydrophobicContact CD2-CG 4.28Å; F90-F534 AromaticContact CE1-CE1 3.91Å; F90-F534 HydrophobicContact CE1-CE1 3.91Å; F90-F534 HydrophobicContact CE1-CE2 4.17Å; F90-F534 AromaticContact CE1-CZ 3.42Å; F90-F534 HydrophobicContact CE1-CZ 3.42Å; F90-F534 VanDerWaalsContact CE1-CZ 3.42Å; F90-F534 HydrophobicContact CE2-CE1 4.37Å; F90-F534 HydrophobicContact CE2-CZ 4.28Å; F90-F534 HydrophobicContact CZ-CD1 4.05Å; F90-F534 AromaticContact CZ-CE1 3.32Å; F90-F534 HydrophobicContact CZ-CE1 3.32Å; F90-F534 AromaticContact CZ-CE2 3.84Å; F90-F534 HydrophobicContact CZ-CE2 3.84Å; F90-F534 AromaticContact CZ-CZ 3.19Å; F90-F534 HydrophobicContact CZ-CZ 3.19Å; P532-F534 HydrophobicContact CB-CD2 4.27Å; P532-F534 PolarHBondContact O-N 3.22Å; F534-Y644 HydrophobicContact CE1-CE1 4.22Å |
| 535 | E | 48.2 | Very low | 59.5 | Low | 68 Ų | 68 | 61.1 Ų | 61.1 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -104.3 | 5.9 | 179.7 | -68.3 | 177.3 | -157.2 | 0 | 0 | 114.5 | S533 N537 S538 L541 R550 | S533-E535 PolarHBondContact O-N 3.29Å; E535-N537 PolarHBondContact O-N 3.34Å; E535-S538 PolarHBondContact O-N 2.97Å; E535-L541 HydrophobicContact CB-CD1 3.33Å; E535-L541 HydrophobicContact CB-CD2 3.93Å; E535-L541 HydrophobicContact CB-CG 4.27Å; E535-L541 HydrophobicContact CG-CD1 4.5Å; E535-L541 VanDerWaalsContact O-CD1 3.32Å; E535-L541 WeakPolarHBondContact O-CD1 3.48Å; E535-R550 IonicContact OE1-CZ 3.22Å; E535-R550 VanDerWaalsContact OE1-CZ 3.3Å; E535-R550 IonicContact OE1-NH1 2.94Å; E535-R550 PolarHBondContact OE1-NH1 2.83Å; E535-R550 IonicContact OE1-NH2 3.68Å; E535-R550 PolarHBondContact OE1-NH2 3.17Å; E535-R550 IonicContact OE2-CZ 3.87Å; E535-R550 IonicContact OE2-NH1 2.7Å; E535-R550 PolarHBondContact OE2-NH1 2.84Å; E535-R550 IonicContact OE2-NH2 3.02Å |
| 536 | W | 47.8 | Very low | 58.8 | Low | 83 Ų | 83 | 64.2 Ų | 64.2 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -20.7 | -173.4 | -106.4 | -48.8 | 0 | 0 | 0 | 116.1 | M182 S533 S538 E617 | M182-W536 HydrophobicContact CB-CZ2 4.17Å; M182-W536 HydrophobicContact CG-CZ2 3.76Å; S533-W536 VanDerWaalsContact CB-CE3 3.41Å; S533-W536 PolarHBondContact O-N 3.31Å; W536-S538 PolarHBondContact O-N 3.07Å; W536-S538 VanDerWaalsContact O-N 3.14Å; W536-E617 WeakPolarHBondContact CB-OE2 3.37Å; W536-E617 HydrophobicContact CD2-CG 4.13Å; W536-E617 HydrophobicContact CE3-CG 4.01Å; W536-E617 VanDerWaalsContact CG-CD 3.43Å; W536-E617 HydrophobicContact CZ3-CG 4.29Å |
| 537 | N | 41.9 | Very low | 58.7 | Low | 158 Ų | 158 | 63.9 Ų | 63.9 | 85% | 0.845 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.8 | 171.7 | -76.4 | -28 | 0 | 0 | 0 | 114.6 | E535 | E535-N537 PolarHBondContact O-N 3.34Š|
| 538 | S | 45 | Very low | 59.5 | Low | 64 Ų | 64 | 63.8 Ų | 63.8 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -97.7 | 112.8 | 173.4 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | E535 W536 C540 L541 | E535-S538 PolarHBondContact O-N 2.97Å; W536-S538 PolarHBondContact O-N 3.07Å; W536-S538 VanDerWaalsContact O-N 3.14Å; S538-C540 PolarHBondContact O-N 3.42Å; S538-L541 PolarHBondContact O-N 2.66Å |
| 539 | K | 48.9 | Very low | 60.2 | Low | 202 Ų | 202 | 68.2 Ų | 68.2 | 88% | 0.878 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -43.5 | -19.3 | 168.2 | -70.6 | -177.5 | 176.4 | -177.7 | 0 | 114.2 | ||
| 540 | C | 43.8 | Very low | 60.9 | Low | 94 Ų | 94 | 67 Ų | 67 | 64% | 0.635 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -69.5 | -22.2 | 177.2 | -73.4 | 0 | 0 | 0 | 0 | 115.9 | S538 C542 | S538-C540 PolarHBondContact O-N 3.42Å; C540-C542 VanDerWaalsContact C-N 3.3Å; C540-C542 PolarHBondContact O-N 3.28Å |
| 541 | L | 49.6 | Very low | 61.6 | Low | 15 Ų | 15 | 66.1 Ų | 66.1 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -78.8 | -11.1 | -177.8 | -83.1 | 99.1 | 0 | 0 | 0 | 114.7 | Y183 E535 S538 N543 | Y183-L541 PolarHBondContact OH-O 3.16Å; Y183-L541 VanDerWaalsContact OH-O 3.13Å; E535-L541 HydrophobicContact CB-CD1 3.33Å; E535-L541 HydrophobicContact CB-CD2 3.93Å; E535-L541 HydrophobicContact CB-CG 4.27Å; E535-L541 HydrophobicContact CG-CD1 4.5Å; E535-L541 VanDerWaalsContact O-CD1 3.32Å; E535-L541 WeakPolarHBondContact O-CD1 3.48Å; S538-L541 PolarHBondContact O-N 2.66Å; L541-N543 PolarHBondContact O-N 3.37Å |
| 542 | C | 55.5 | Low | 62.8 | Low | 78 Ų | 78 | 65.5 Ų | 65.5 | 53% | 0.527 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -74.5 | -6.7 | 175.3 | -56 | 0 | 0 | 0 | 0 | 113.5 | C540 P544 | C540-C542 VanDerWaalsContact C-N 3.3Å; C540-C542 PolarHBondContact O-N 3.28Å; C542-P544 WeakPolarHBondContact O-CD 3.46Å |
| 543 | N | 68.6 | Low | 64 | Low | 59 Ų | 59 | 66 Ų | 66 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | trans | -80.7 | 118.5 | 179.2 | -174.6 | -10.2 | 0 | 0 | 0 | 110.4 | L541 E545 V546 H547 | L541-N543 PolarHBondContact O-N 3.37Å; N543-E545 PolarHBondContact ND2-OE2 3.02Å; N543-E545 VanDerWaalsContact ND2-OE2 3.11Å; N543-E545 PolarHBondContact O-N 2.88Å; N543-E545 VanDerWaalsContact OD1-CB 3.29Å; N543-E545 WeakPolarHBondContact OD1-CB 3.4Å; N543-E545 WeakPolarHBondContact OD1-CG 3.48Å; N543-E545 PolarHBondContact OD1-N 2.86Å; N543-V546 HydrophobicContact CB-CG2 4.1Å; N543-V546 PolarHBondContact O-N 3.33Å; N543-V546 VanDerWaalsContact O-N 3.11Å; N543-H547 PolarHBondContact O-N 2.96Å | ||
| 544 | P | 73 | Confident | 65.4 | Low | 46 Ų | 46 | 66.7 Ų | 66.7 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.4 | -32.3 | 178.2 | 21.9 | -36.7 | 0 | 0 | 0 | 114.4 | C542 H547 L548 F568 P574 W586 | C542-P544 WeakPolarHBondContact O-CD 3.46Å; P544-H547 PolarHBondContact O-N 3.1Å; P544-L548 WeakPolarHBondContact O-CB 3.33Å; P544-L548 PolarHBondContact O-N 3.29Å; P544-F568 HydrophobicContact CG-CE1 4.38Å; P544-P574 HydrophobicContact CB-CB 4.44Å; P544-P574 HydrophobicContact CB-CG 4.15Å; P544-W586 VanDerWaalsContact CA-CZ3 3.43Å; P544-W586 HydrophobicContact CB-CE3 4.02Å; P544-W586 HydrophobicContact CB-CH2 4.48Å; P544-W586 HydrophobicContact CB-CZ3 3.43Å; P544-W586 VanDerWaalsContact CB-CZ3 3.43Å |
| 545 | E | 74.1 | Confident | 67 | Low | 68 Ų | 68 | 62.8 Ų | 62.8 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 179.7 | -69.7 | -177.5 | 154.4 | 0 | 0 | 113.3 | N543 H547 R549 I566 F568 | N543-E545 PolarHBondContact ND2-OE2 3.02Å; N543-E545 VanDerWaalsContact ND2-OE2 3.11Å; N543-E545 PolarHBondContact O-N 2.88Å; N543-E545 VanDerWaalsContact OD1-CB 3.29Å; N543-E545 WeakPolarHBondContact OD1-CB 3.4Å; N543-E545 WeakPolarHBondContact OD1-CG 3.48Å; N543-E545 PolarHBondContact OD1-N 2.86Å; E545-H547 VanDerWaalsContact C-N 3.31Å; E545-R549 WeakPolarHBondContact O-CB 3.01Å; E545-R549 PolarHBondContact O-N 2.86Å; E545-R549 VanDerWaalsContact O-N 3.08Å; E545-I566 HydrophobicContact CB-CD1 3.44Å; E545-I566 VanDerWaalsContact CB-CD1 3.44Å; E545-I566 HydrophobicContact CG-CB 4.38Å; E545-I566 HydrophobicContact CG-CD1 3.87Å; E545-I566 HydrophobicContact CG-CG2 4.11Å; E545-I566 WeakPolarHBondContact O-CD1 3.32Å; E545-F568 HydrophobicContact CG-CE2 4.09Å; E545-F568 HydrophobicContact CG-CZ 3.66Å; E545-F568 VanDerWaalsContact OE1-CE2 3.23Å; E545-F568 WeakPolarHBondContact OE1-CE2 3.35Å |
| 546 | V | 74.6 | Confident | 68.6 | Low | 66 Ų | 66 | 60.9 Ų | 60.9 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | -177.7 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | N543 R549 R550 | N543-V546 HydrophobicContact CB-CG2 4.1Å; N543-V546 PolarHBondContact O-N 3.33Å; N543-V546 VanDerWaalsContact O-N 3.11Å; V546-R549 PolarHBondContact O-N 2.84Å; V546-R550 WeakPolarHBondContact O-CB 3.17Å; V546-R550 PolarHBondContact O-N 3.24Å |
| 547 | H | 74.4 | Confident | 69.8 | Low | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.028 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 178.2 | -162.1 | 73.3 | 0 | 0 | 0 | 111.9 | V531 N543 P544 E545 R549 R550 I551 W586 | V531-H547 WeakPolarHBondContact CG2-CE1 3.43Å; N543-H547 PolarHBondContact O-N 2.96Å; P544-H547 PolarHBondContact O-N 3.1Å; E545-H547 VanDerWaalsContact C-N 3.31Å; H547-R549 PolarHBondContact O-N 2.94Å; H547-R550 WeakPolarHBondContact O-CB 3.36Å; H547-R550 PolarHBondContact O-N 2.9Å; H547-R550 VanDerWaalsContact O-N 3.12Å; H547-I551 WeakPolarHBondContact O-CG1 3.5Å; H547-I551 PolarHBondContact O-N 3.17Å; H547-W586 HydrophobicContact CB-CH2 4.28Å; H547-W586 HydrophobicContact CB-CZ3 4.36Å; H547-W586 AromaticContact CD2-CE2 3.89Å; H547-W586 AromaticContact CD2-CH2 3.65Å; H547-W586 AromaticContact CD2-CZ2 3.39Å; H547-W586 WeakPolarHBondContact CD2-CZ2 3.49Å |
| 548 | L | 82.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 177.5 | 177.2 | 52.2 | 0 | 0 | 0 | 111.9 | L524 P544 R550 I551 I552 P574 L576 V584 W586 | L524-L548 HydrophobicContact CD1-CD1 3.86Å; P544-L548 WeakPolarHBondContact O-CB 3.33Å; P544-L548 PolarHBondContact O-N 3.29Å; L548-R550 VanDerWaalsContact C-N 3.27Å; L548-R550 PolarHBondContact O-N 2.8Å; L548-I551 PolarHBondContact O-N 2.84Å; L548-I552 HydrophobicContact CD1-CG1 3.94Å; L548-I552 PolarHBondContact O-N 3.08Å; L548-I552 VanDerWaalsContact O-N 3.09Å; L548-P574 HydrophobicContact CD2-CB 4.13Å; L548-L576 HydrophobicContact CD2-CB 3.95Å; L548-L576 HydrophobicContact CG-CB 4.34Å; L548-V584 HydrophobicContact CD1-CG1 4.04Å; L548-W586 HydrophobicContact CB-CE3 4.48Å; L548-W586 HydrophobicContact CD1-CB 3.83Å; L548-W586 HydrophobicContact CD1-CG 4.49Å; L548-W586 HydrophobicContact CD2-CB 4.12Å; L548-W586 HydrophobicContact CG-CB 4.36Å |
| 549 | R | 80.1 | Confident | 71.6 | Confident | 111 Ų | 111 | 61.1 Ų | 61.1 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 175.9 | -88.4 | 172.7 | 178.2 | -167.7 | 0.9 | 112.1 | E545 V546 H547 S553 N564 I566 | E545-R549 WeakPolarHBondContact O-CB 3.01Å; E545-R549 PolarHBondContact O-N 2.86Å; E545-R549 VanDerWaalsContact O-N 3.08Å; V546-R549 PolarHBondContact O-N 2.84Å; H547-R549 PolarHBondContact O-N 2.94Å; R549-S553 WeakPolarHBondContact O-CA 3.43Å; R549-S553 VanDerWaalsContact O-CB 3.31Å; R549-S553 WeakPolarHBondContact O-CB 2.97Å; R549-S553 PolarHBondContact O-N 2.96Å; R549-N564 PolarHBondContact NH2-O 3.07Å; R549-I566 HydrophobicContact CG-CD1 3.81Å; R549-I566 HydrophobicContact CG-CG1 4.39Å |
| 550 | R | 78 | Confident | 72 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 179.8 | -170.6 | 166.3 | -178.5 | 149.7 | -1.8 | 112.3 | P80 V531 E535 V546 H547 L548 I552 S553 | P80-R550 VanDerWaalsContact CB-NH2 3.31Å; V531-R550 HydrophobicContact CG1-CG 4.27Å; E535-R550 IonicContact OE1-CZ 3.22Å; E535-R550 VanDerWaalsContact OE1-CZ 3.3Å; E535-R550 IonicContact OE1-NH1 2.94Å; E535-R550 PolarHBondContact OE1-NH1 2.83Å; E535-R550 IonicContact OE1-NH2 3.68Å; E535-R550 PolarHBondContact OE1-NH2 3.17Å; E535-R550 IonicContact OE2-CZ 3.87Å; E535-R550 IonicContact OE2-NH1 2.7Å; E535-R550 PolarHBondContact OE2-NH1 2.84Å; E535-R550 IonicContact OE2-NH2 3.02Å; V546-R550 WeakPolarHBondContact O-CB 3.17Å; V546-R550 PolarHBondContact O-N 3.24Å; H547-R550 WeakPolarHBondContact O-CB 3.36Å; H547-R550 PolarHBondContact O-N 2.9Å; H547-R550 VanDerWaalsContact O-N 3.12Å; L548-R550 VanDerWaalsContact C-N 3.27Å; L548-R550 PolarHBondContact O-N 2.8Å; R550-I552 VanDerWaalsContact C-N 3.34Å; R550-I552 PolarHBondContact O-N 3.01Å; R550-S553 PolarHBondContact O-N 3.47Å; R550-S553 PolarHBondContact O-OG 3.49Å |
| 551 | I | 81.5 | Confident | 72.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 177.4 | -66.3 | 166.4 | 0 | 0 | 0 | 110.8 | L488 R489 L524 Y530 V531 H547 L548 P554 | L488-I551 HydrophobicContact CD2-CG2 3.61Å; R489-I551 PolarHBondContact NH1-O 3.06Å; R489-I551 VanDerWaalsContact NH1-O 3.11Å; R489-I551 PolarHBondContact NH2-O 3.45Å; L524-I551 HydrophobicContact CD1-CG2 3.84Å; Y530-I551 HydrophobicContact CD2-CD1 4.47Å; Y530-I551 HydrophobicContact CD2-CG2 4.1Å; V531-I551 HydrophobicContact CG2-CD1 4.16Å; V531-I551 HydrophobicContact CG2-CG1 3.44Å; V531-I551 VanDerWaalsContact CG2-CG1 3.44Å; H547-I551 WeakPolarHBondContact O-CG1 3.5Å; H547-I551 PolarHBondContact O-N 3.17Å; L548-I551 PolarHBondContact O-N 2.84Å; I551-P554 WeakPolarHBondContact O-CD 3.38Å |
| 552 | I | 87.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -86.4 | -11.8 | -174.3 | -64.8 | -61.5 | 0 | 0 | 0 | 113.4 | L488 L524 L548 R550 P554 F555 L556 L576 L578 V584 | L488-I552 HydrophobicContact CD2-CD1 4.47Å; L524-I552 HydrophobicContact CD1-CD1 4Å; L524-I552 HydrophobicContact CD1-CG1 4.16Å; L548-I552 HydrophobicContact CD1-CG1 3.94Å; L548-I552 PolarHBondContact O-N 3.08Å; L548-I552 VanDerWaalsContact O-N 3.09Å; R550-I552 VanDerWaalsContact C-N 3.34Å; R550-I552 PolarHBondContact O-N 3.01Å; I552-P554 VanDerWaalsContact C-N 3.26Å; I552-P554 WeakPolarHBondContact O-CD 3.35Å; I552-F555 HydrophobicContact CD1-CD2 4.3Å; I552-F555 HydrophobicContact CG2-CB 4.38Å; I552-F555 WeakPolarHBondContact O-CB 3.38Å; I552-F555 PolarHBondContact O-N 3.26Å; I552-L556 HydrophobicContact CG2-CD2 4.11Å; I552-L556 HydrophobicContact CG2-CG 4.23Å; I552-L556 PolarHBondContact O-N 3.1Å; I552-L576 HydrophobicContact CB-CD2 4.15Å; I552-L576 HydrophobicContact CG2-CD2 3.82Å; I552-L578 HydrophobicContact CG2-CD1 3.8Å; I552-V584 HydrophobicContact CD1-CB 4.49Å; I552-V584 HydrophobicContact CD1-CG1 3.88Å; I552-V584 HydrophobicContact CD1-CG2 4Å; I552-V584 HydrophobicContact CG1-CB 4.46Å; I552-V584 HydrophobicContact CG1-CG1 3.96Å; I552-V584 HydrophobicContact CG1-CG2 4.29Å |
| 553 | S | 82.8 | Confident | 72.7 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 44% | 0.441 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -44.5 | -39.6 | -179.1 | 62.7 | 0 | 0 | 0 | 0 | 115.4 | R549 R550 F555 L556 | R549-S553 WeakPolarHBondContact O-CA 3.43Å; R549-S553 VanDerWaalsContact O-CB 3.31Å; R549-S553 WeakPolarHBondContact O-CB 2.97Å; R549-S553 PolarHBondContact O-N 2.96Å; R550-S553 PolarHBondContact O-N 3.47Å; R550-S553 PolarHBondContact O-OG 3.49Å; S553-F555 PolarHBondContact O-N 3.23Å; S553-L556 PolarHBondContact O-N 3.08Å |
| 554 | P | 84.1 | Confident | 72.2 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 47% | 0.468 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -72.9 | -13.5 | -179.9 | -18.3 | 36.1 | 0 | 0 | 0 | 114.5 | I551 I552 | I551-P554 WeakPolarHBondContact O-CD 3.38Å; I552-P554 VanDerWaalsContact C-N 3.26Å; I552-P554 WeakPolarHBondContact O-CD 3.35Å |
| 555 | F | 85.2 | Confident | 71.6 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -97.2 | -12.2 | 177.9 | -59.9 | -82.2 | 0 | 0 | 0 | 112.6 | L488 V494 T497 R498 Y502 I552 S553 L578 | L488-F555 HydrophobicContact CD2-CE2 4.09Å; L488-F555 HydrophobicContact CG-CE2 4.16Å; L488-F555 HydrophobicContact CG-CZ 4.4Å; V494-F555 HydrophobicContact CB-CE1 4.46Å; V494-F555 HydrophobicContact CB-CZ 4.4Å; V494-F555 HydrophobicContact CG1-CE1 3.82Å; V494-F555 HydrophobicContact CG1-CZ 4.02Å; V494-F555 HydrophobicContact CG2-CZ 4.4Å; T497-F555 HydrophobicContact CG2-CD1 3.49Å; T497-F555 VanDerWaalsContact CG2-CD1 3.49Å; T497-F555 HydrophobicContact CG2-CD2 4.33Å; T497-F555 HydrophobicContact CG2-CE1 3.6Å; T497-F555 HydrophobicContact CG2-CE2 4.42Å; T497-F555 HydrophobicContact CG2-CG 3.88Å; T497-F555 HydrophobicContact CG2-CZ 4.08Å; R498-F555 HydrophobicContact CG-CD1 4.07Å; R498-F555 HydrophobicContact CG-CE1 4.29Å; Y502-F555 VanDerWaalsContact CE2-O 3.28Å; Y502-F555 WeakPolarHBondContact CE2-O 3.45Å; Y502-F555 PolarHBondContact OH-O 3.22Å; I552-F555 HydrophobicContact CD1-CD2 4.3Å; I552-F555 HydrophobicContact CG2-CB 4.38Å; I552-F555 WeakPolarHBondContact O-CB 3.38Å; I552-F555 PolarHBondContact O-N 3.26Å; S553-F555 PolarHBondContact O-N 3.23Å; F555-L578 HydrophobicContact CB-CD1 3.84Å; F555-L578 HydrophobicContact CB-CD2 4.19Å |
| 556 | L | 82.7 | Confident | 71.4 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -73.8 | 134.1 | 178.4 | -65.7 | -179 | 0 | 0 | 0 | 110.7 | I552 S553 N564 L576 L578 | I552-L556 HydrophobicContact CG2-CD2 4.11Å; I552-L556 HydrophobicContact CG2-CG 4.23Å; I552-L556 PolarHBondContact O-N 3.1Å; S553-L556 PolarHBondContact O-N 3.08Å; L556-N564 WeakPolarHBondContact CD2-ND2 3.49Å; L556-L576 HydrophobicContact CD2-CD2 4.36Å; L556-L578 HydrophobicContact CD2-CD1 3.78Å |
| 557 | Q | 73.3 | Confident | 71.1 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | trans | -68.7 | 136.3 | 168.8 | -69.6 | -179.3 | -4.7 | 0 | 0 | 109.6 | Y502 D559 K560 | Y502-Q557 HydrophobicContact CE1-CG 3.92Å; Y502-Q557 VanDerWaalsContact CE1-NE2 3.33Å; Q557-D559 PolarHBondContact O-N 3.31Å; Q557-K560 PolarHBondContact O-N 3.29Å | ||
| 558 | P | 63.4 | Low | 70.8 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -50.8 | -36.3 | -178.3 | -27.8 | 34 | 0 | 0 | 0 | 113.8 | K560 I561 | P558-K560 VanDerWaalsContact C-N 3.33Å; P558-K560 PolarHBondContact O-N 3.42Å; P558-I561 WeakPolarHBondContact O-CG1 3.35Å |
| 559 | D | 59.8 | Low | 69.8 | Low | 144 Ų | 144 | 63.2 Ų | 63.2 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -75 | -20.1 | -176.2 | -56.1 | -25.8 | 0 | 0 | 0 | 113.5 | Q557 | Q557-D559 PolarHBondContact O-N 3.31Š|
| 560 | K | 58.4 | Low | 68.8 | Low | 59 Ų | 59 | 67 Ų | 67 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -101.9 | 0.4 | -178.2 | -68.6 | -166.9 | 175.9 | -168.9 | 0 | 114 | Q557 P558 P562 T563 N564 D580 | Q557-K560 PolarHBondContact O-N 3.29Å; P558-K560 VanDerWaalsContact C-N 3.33Å; P558-K560 PolarHBondContact O-N 3.42Å; K560-P562 VanDerWaalsContact C-CD 3.48Å; K560-T563 PolarHBondContact O-N 2.88Å; K560-T563 PolarHBondContact O-OG1 2.82Å; K560-T563 VanDerWaalsContact O-OG1 3.07Å; K560-N564 PolarHBondContact O-OD1 2.86Å; K560-D580 IonicContact NZ-OD1 2.63Å; K560-D580 PolarHBondContact NZ-OD1 2.85Å |
| 561 | I | 57.4 | Low | 68 | Low | 105 Ų | 105 | 67.2 Ų | 67.2 | 54% | 0.538 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -43.4 | 179.5 | -62.4 | 173.5 | 0 | 0 | 0 | 113.1 | P558 | P558-I561 WeakPolarHBondContact O-CG1 3.35Š|
| 562 | P | 51.2 | Low | 67.4 | Low | 107 Ų | 107 | 72.9 Ų | 72.9 | 70% | 0.695 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -18 | -178 | 27 | -31.3 | 0 | 0 | 0 | 114.6 | K560 | K560-P562 VanDerWaalsContact C-CD 3.48Š|
| 563 | T | 54.4 | Low | 66.9 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 54% | 0.54 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -11 | -171.2 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | K560 H565 | K560-T563 PolarHBondContact O-N 2.88Å; K560-T563 PolarHBondContact O-OG1 2.82Å; K560-T563 VanDerWaalsContact O-OG1 3.07Å; T563-H565 PolarHBondContact O-CD2 3.3Å; T563-H565 PolarHBondContact O-N 3.08Å |
| 564 | N | 58.7 | Low | 66.9 | Low | 19 Ų | 19 | 70.9 Ų | 70.9 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | trans | -83 | 87.9 | -174.8 | -68.8 | -9.5 | 0 | 0 | 0 | 110.9 | R549 L556 K560 L576 | R549-N564 PolarHBondContact NH2-O 3.07Å; L556-N564 WeakPolarHBondContact CD2-ND2 3.49Å; K560-N564 PolarHBondContact O-OD1 2.86Å; N564-L576 HydrophobicContact CB-CD1 3.75Å | ||
| 565 | H | 60.5 | Low | 67 | Low | 153 Ų | 153 | 67.7 Ų | 67.7 | 71% | 0.708 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 131.9 | 168.5 | -69.1 | -78.1 | 0 | 0 | 0 | 109.7 | T563 | T563-H565 PolarHBondContact O-CD2 3.3Å; T563-H565 PolarHBondContact O-N 3.08Å |
| 566 | I | 68.9 | Low | 67.1 | Low | 22 Ų | 22 | 67.2 Ų | 67.2 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.8 | 169.5 | -63.3 | 168.7 | 0 | 0 | 0 | 106.5 | E545 R549 P574 S575 L576 | E545-I566 HydrophobicContact CB-CD1 3.44Å; E545-I566 VanDerWaalsContact CB-CD1 3.44Å; E545-I566 HydrophobicContact CG-CB 4.38Å; E545-I566 HydrophobicContact CG-CD1 3.87Å; E545-I566 HydrophobicContact CG-CG2 4.11Å; E545-I566 WeakPolarHBondContact O-CD1 3.32Å; R549-I566 HydrophobicContact CG-CD1 3.81Å; R549-I566 HydrophobicContact CG-CG1 4.39Å; I566-P574 HydrophobicContact CG2-CB 4.37Å; I566-S575 CarbonylContact C-O 3.55Å; I566-S575 WeakPolarHBondContact CA-O 3.37Å; I566-S575 WeakPolarHBondContact CG2-O 3.5Å; I566-L576 HydrophobicContact CG1-CD1 3.85Å |
| 567 | S | 68.5 | Low | 67.3 | Low | 27 Ų | 27 | 67.9 Ų | 67.9 | 19% | 0.189 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 149.3 | 172.6 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | S575 | S567-S575 PolarHBondContact N-O 3.22Å; S567-S575 PolarHBondContact O-N 2.86Å; S567-S575 PolarHBondContact O-OG 3.43Å; S567-S575 PolarHBondContact OG-OG 3.01Å |
| 568 | F | 67.4 | Low | 67.9 | Low | 69 Ų | 69 | 64.7 Ų | 64.7 | 30% | 0.303 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 136.9 | 168.1 | -67.1 | -90.6 | 0 | 0 | 0 | 109.2 | P544 E545 T573 P574 | P544-F568 HydrophobicContact CG-CE1 4.38Å; E545-F568 HydrophobicContact CG-CE2 4.09Å; E545-F568 HydrophobicContact CG-CZ 3.66Å; E545-F568 VanDerWaalsContact OE1-CE2 3.23Å; E545-F568 WeakPolarHBondContact OE1-CE2 3.35Å; F568-T573 WeakPolarHBondContact CA-O 3.32Å; F568-P574 HydrophobicContact CD1-CB 4.39Å; F568-P574 HydrophobicContact CE1-CB 4.03Å |
| 569 | S | 63.2 | Low | 68.9 | Low | 29 Ų | 29 | 60.3 Ų | 60.3 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 172.1 | 167.5 | 71.7 | 0 | 0 | 0 | 0 | 110.4 | S571 N572 T573 | S569-S571 PolarHBondContact O-N 3.4Å; S569-S571 PolarHBondContact OG-N 3.46Å; S569-S571 PolarHBondContact OG-OG 2.73Å; S569-N572 PolarHBondContact O-N 2.63Å; S569-N572 PolarHBondContact OG-N 2.86Å; S569-T573 PolarHBondContact N-O 2.93Å; S569-T573 WeakPolarHBondContact OG-CB 3.19Å; S569-T573 PolarHBondContact OG-N 3.34Å; S569-T573 PolarHBondContact OG-OG1 3.28Å |
| 570 | Q | 58.9 | Low | 70 | Confident | 189 Ų | 189 | 58.8 Ų | 58.8 | 88% | 0.883 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.1 | 171.6 | -69 | -179.6 | -12.1 | 0 | 0 | 112.4 | N572 | Q570-N572 VanDerWaalsContact C-N 3.28Å; Q570-N572 PolarHBondContact O-N 2.9Å |
| 571 | S | 60.5 | Low | 71.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 42% | 0.42 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 13.5 | 175.1 | 44.7 | 0 | 0 | 0 | 0 | 113.7 | E194 S569 T573 | E194-S571 PolarHBondContact OE1-OG 2.98Å; E194-S571 VanDerWaalsContact OE1-OG 3.11Å; E194-S571 WeakPolarHBondContact OE2-CB 3.39Å; E194-S571 PolarHBondContact OE2-OG 3.18Å; S569-S571 PolarHBondContact O-N 3.4Å; S569-S571 PolarHBondContact OG-N 3.46Å; S569-S571 PolarHBondContact OG-OG 2.73Å; S571-T573 PolarHBondContact O-N 3.37Å |
| 572 | N | 69.5 | Low | 72.8 | Confident | 118 Ų | 118 | 53 Ų | 53 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | trans | 63.5 | 24.2 | -179.7 | -156.2 | 42.3 | 0 | 0 | 0 | 114.4 | S569 Q570 P574 | S569-N572 PolarHBondContact O-N 2.63Å; S569-N572 PolarHBondContact OG-N 2.86Å; Q570-N572 VanDerWaalsContact C-N 3.28Å; Q570-N572 PolarHBondContact O-N 2.9Å; N572-P574 WeakPolarHBondContact O-CD 3.43Å | ||
| 573 | T | 76.8 | Confident | 74.7 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | trans | -78.3 | 121.1 | 175.9 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | E194 F568 S569 S571 S575 Y585 L587 | E194-T573 WeakPolarHBondContact CG-OG1 3.25Å; F568-T573 WeakPolarHBondContact CA-O 3.32Å; S569-T573 PolarHBondContact N-O 2.93Å; S569-T573 WeakPolarHBondContact OG-CB 3.19Å; S569-T573 PolarHBondContact OG-N 3.34Å; S569-T573 PolarHBondContact OG-OG1 3.28Å; S571-T573 PolarHBondContact O-N 3.37Å; T573-S575 PolarHBondContact O-N 3.26Å; T573-Y585 HydrophobicContact CG2-CD1 4.4Å; T573-L587 HydrophobicContact CG2-CD2 3.37Å; T573-L587 HydrophobicContact CG2-CG 4.02Å | ||
| 574 | P | 82.2 | Confident | 76.5 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 8% | 0.078 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 127.5 | 175.3 | 24.6 | -30 | 0 | 0 | 0 | 110.8 | P544 L548 I566 F568 N572 W586 | P544-P574 HydrophobicContact CB-CB 4.44Å; P544-P574 HydrophobicContact CB-CG 4.15Å; L548-P574 HydrophobicContact CD2-CB 4.13Å; I566-P574 HydrophobicContact CG2-CB 4.37Å; F568-P574 HydrophobicContact CD1-CB 4.39Å; F568-P574 HydrophobicContact CE1-CB 4.03Å; N572-P574 WeakPolarHBondContact O-CD 3.43Å; P574-W586 HydrophobicContact CB-CE3 4.4Å; P574-W586 HydrophobicContact CG-CB 4.1Å; P574-W586 HydrophobicContact CG-CD2 4.26Å; P574-W586 HydrophobicContact CG-CE3 3.51Å; P574-W586 HydrophobicContact CG-CZ3 4.3Å; P574-W586 PolarHBondContact O-N 3.47Å |
| 575 | S | 86.5 | Confident | 78.1 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.4 | -178.2 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | I566 S567 T573 V584 | I566-S575 CarbonylContact C-O 3.55Å; I566-S575 WeakPolarHBondContact CA-O 3.37Å; I566-S575 WeakPolarHBondContact CG2-O 3.5Å; S567-S575 PolarHBondContact N-O 3.22Å; S567-S575 PolarHBondContact O-N 2.86Å; S567-S575 PolarHBondContact O-OG 3.43Å; S567-S575 PolarHBondContact OG-OG 3.01Å; T573-S575 PolarHBondContact O-N 3.26Å; S575-V584 CarbonylContact C-O 3.59Å; S575-V584 WeakPolarHBondContact CA-O 3.27Å |
| 576 | L | 86.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 124.3 | -177 | -178.3 | 76.2 | 0 | 0 | 0 | 109.1 | L548 I552 L556 N564 I566 L578 V584 | L548-L576 HydrophobicContact CD2-CB 3.95Å; L548-L576 HydrophobicContact CG-CB 4.34Å; I552-L576 HydrophobicContact CB-CD2 4.15Å; I552-L576 HydrophobicContact CG2-CD2 3.82Å; L556-L576 HydrophobicContact CD2-CD2 4.36Å; N564-L576 HydrophobicContact CB-CD1 3.75Å; I566-L576 HydrophobicContact CG1-CD1 3.85Å; L576-L578 PolarHBondContact O-N 3.42Å; L576-V584 PolarHBondContact N-O 3.01Å; L576-V584 PolarHBondContact O-N 2.95Å |
| 577 | S | 87.4 | Confident | 80.4 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 113.2 | 169.2 | -141.9 | 0 | 0 | 0 | 0 | 108.9 | S579 | S577-S579 PolarHBondContact OG-O 3.3Å |
| 578 | L | 85.9 | Confident | 81 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -78.2 | -37.6 | 176.6 | 178.7 | 55.9 | 0 | 0 | 0 | 110.3 | T497 A501 Y502 I522 I552 F555 L556 L576 A582 V584 | T497-L578 HydrophobicContact CG2-CD2 3.88Å; A501-L578 HydrophobicContact CB-CB 4.49Å; A501-L578 HydrophobicContact CB-CD2 3.56Å; A501-L578 HydrophobicContact CB-CG 3.75Å; Y502-L578 PolarHBondContact OH-O 3.14Å; I522-L578 HydrophobicContact CD1-CD2 4.09Å; I552-L578 HydrophobicContact CG2-CD1 3.8Å; F555-L578 HydrophobicContact CB-CD1 3.84Å; F555-L578 HydrophobicContact CB-CD2 4.19Å; L556-L578 HydrophobicContact CD2-CD1 3.78Å; L576-L578 PolarHBondContact O-N 3.42Å; L578-A582 PolarHBondContact N-O 3.31Å; L578-V584 HydrophobicContact CB-CG2 3.95Å; L578-V584 HydrophobicContact CD2-CG2 4.15Å | ||
| 579 | S | 84 | Confident | 81.6 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -149.1 | -173 | 174.4 | 71.4 | 0 | 0 | 0 | 0 | 110.1 | A501 S577 T581 A582 | A501-S579 WeakPolarHBondContact CA-OG 3.27Å; A501-S579 WeakPolarHBondContact O-CB 3.29Å; A501-S579 PolarHBondContact O-OG 2.82Å; S577-S579 PolarHBondContact OG-O 3.3Å; S579-T581 PolarHBondContact O-N 3.21Å; S579-T581 PolarHBondContact OG-N 3.14Å; S579-T581 VanDerWaalsContact OG-N 3.07Å; S579-T581 PolarHBondContact OG-OG1 2.63Å; S579-A582 PolarHBondContact N-O 3.48Å; S579-A582 PolarHBondContact OG-N 3.34Å; S579-A582 VanDerWaalsContact OG-N 3.16Å |
| 580 | D | 82 | Confident | 82.3 | Confident | 113 Ų | 113 | 31.6 Ų | 31.6 | 60% | 0.604 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -75.8 | -4.3 | 174.5 | -47.2 | -12.6 | 0 | 0 | 0 | 111.6 | H519 K560 | H519-D580 PolarHBondContact CD2-O 2.65Å; K560-D580 IonicContact NZ-OD1 2.63Å; K560-D580 PolarHBondContact NZ-OD1 2.85Å |
| 581 | T | 85.2 | Confident | 83.3 | Confident | 41 Ų | 41 | 23.1 Ų | 23.1 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -121.4 | -7.9 | -177.4 | 65 | 0 | 0 | 0 | 0 | 113.7 | L500 A501 N520 S579 | L500-T581 PolarHBondContact O-OG1 2.81Å; A501-T581 PolarHBondContact O-OG1 2.76Å; N520-T581 WeakPolarHBondContact CB-O 3.07Å; N520-T581 PolarHBondContact N-O 3.42Å; N520-T581 PolarHBondContact ND2-O 3.4Å; S579-T581 PolarHBondContact O-N 3.21Å; S579-T581 PolarHBondContact OG-N 3.14Å; S579-T581 VanDerWaalsContact OG-N 3.07Å; S579-T581 PolarHBondContact OG-OG1 2.63Å |
| 582 | A | 89.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 128.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A501 H519 N520 I522 L578 S579 | A501-A582 HydrophobicContact CB-CB 3.98Å; H519-A582 VanDerWaalsContact CE1-C 3.44Å; H519-A582 PolarHBondContact CE1-N 3.13Å; N520-A582 HydrophobicContact CB-CB 4.39Å; N520-A582 WeakPolarHBondContact O-CA 3.33Å; I522-A582 HydrophobicContact CD1-CB 4.28Å; L578-A582 PolarHBondContact N-O 3.31Å; S579-A582 PolarHBondContact N-O 3.48Å; S579-A582 PolarHBondContact OG-N 3.34Å; S579-A582 VanDerWaalsContact OG-N 3.16Å |
| 583 | T | 92.3 | Very high | 85.3 | Confident | 11 Ų | 11 | 15.8 Ų | 15.8 | 7% | 0.067 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.1 | 170.9 | -60.2 | 0 | 0 | 0 | 0 | 109.1 | H519 N520 S521 I522 Y585 | H519-T583 PolarHBondContact CE1-N 3.48Å; H519-T583 PolarHBondContact CE1-OG1 2.82Å; N520-T583 PolarHBondContact O-N 3.02Å; S521-T583 CarbonylContact C-O 3.49Å; S521-T583 WeakPolarHBondContact CA-O 3.44Å; I522-T583 PolarHBondContact N-O 2.95Å; T583-Y585 HydrophobicContact CG2-CD2 4.17Å; T583-Y585 HydrophobicContact CG2-CE1 4.1Å; T583-Y585 HydrophobicContact CG2-CE2 3.61Å |
| 584 | V | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.5 | 171.4 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | I522 L524 L548 I552 S575 L576 L578 | I522-V584 HydrophobicContact CB-CG2 4.2Å; I522-V584 HydrophobicContact CD1-CG2 4.18Å; I522-V584 CarbonylContact O-C 3.56Å; I522-V584 VanDerWaalsContact O-CA 3.27Å; I522-V584 WeakPolarHBondContact O-CA 3.4Å; L524-V584 HydrophobicContact CD1-CG1 3.69Å; L524-V584 HydrophobicContact CG-CG1 3.76Å; L548-V584 HydrophobicContact CD1-CG1 4.04Å; I552-V584 HydrophobicContact CD1-CB 4.49Å; I552-V584 HydrophobicContact CD1-CG1 3.88Å; I552-V584 HydrophobicContact CD1-CG2 4Å; I552-V584 HydrophobicContact CG1-CB 4.46Å; I552-V584 HydrophobicContact CG1-CG1 3.96Å; I552-V584 HydrophobicContact CG1-CG2 4.29Å; S575-V584 CarbonylContact C-O 3.59Å; S575-V584 WeakPolarHBondContact CA-O 3.27Å; L576-V584 PolarHBondContact N-O 3.01Å; L576-V584 PolarHBondContact O-N 2.95Å; L578-V584 HydrophobicContact CB-CG2 3.95Å; L578-V584 HydrophobicContact CD2-CG2 4.15Å |
| 585 | Y | 91.6 | Very high | 85.6 | Confident | 7 Ų | 7 | 15.2 Ų | 15.2 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137 | 170.6 | -61.6 | -89.8 | 0 | 0 | 0 | 108.7 | I198 L240 S521 I522 L524 T573 T583 | I198-Y585 HydrophobicContact CD1-CD1 3.71Å; I198-Y585 HydrophobicContact CD1-CD2 4.34Å; I198-Y585 HydrophobicContact CD1-CE1 4.29Å; I198-Y585 HydrophobicContact CD1-CG 3.74Å; I198-Y585 HydrophobicContact CG1-CD1 4.46Å; I198-Y585 HydrophobicContact CG2-CD2 3.89Å; I198-Y585 HydrophobicContact CG2-CE2 3.96Å; I198-Y585 HydrophobicContact CG2-CG 4.37Å; L240-Y585 WeakPolarHBondContact CG-OH 3.33Å; S521-Y585 WeakPolarHBondContact OG-CE2 3.12Å; I522-Y585 PolarHBondContact O-N 3.3Å; L524-Y585 PolarHBondContact N-O 3.49Å; T573-Y585 HydrophobicContact CG2-CD1 4.4Å; T583-Y585 HydrophobicContact CG2-CD2 4.17Å; T583-Y585 HydrophobicContact CG2-CE1 4.1Å; T583-Y585 HydrophobicContact CG2-CE2 3.61Å |
| 586 | W | 88.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 21 Ų | 21 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.2 | 174.1 | 179.6 | 43 | 0 | 0 | 0 | 110.8 | Y183 S527 P544 H547 L548 P574 P588 | Y183-W586 HydrophobicContact CD1-CH2 4.13Å; Y183-W586 HydrophobicContact CG-CH2 4.43Å; S527-W586 WeakPolarHBondContact OG-CZ2 3.46Å; S527-W586 PolarHBondContact OG-NE1 2.85Å; P544-W586 VanDerWaalsContact CA-CZ3 3.43Å; P544-W586 HydrophobicContact CB-CE3 4.02Å; P544-W586 HydrophobicContact CB-CH2 4.48Å; P544-W586 HydrophobicContact CB-CZ3 3.43Å; P544-W586 VanDerWaalsContact CB-CZ3 3.43Å; H547-W586 HydrophobicContact CB-CH2 4.28Å; H547-W586 HydrophobicContact CB-CZ3 4.36Å; H547-W586 AromaticContact CD2-CE2 3.89Å; H547-W586 AromaticContact CD2-CH2 3.65Å; H547-W586 AromaticContact CD2-CZ2 3.39Å; H547-W586 WeakPolarHBondContact CD2-CZ2 3.49Å; L548-W586 HydrophobicContact CB-CE3 4.48Å; L548-W586 HydrophobicContact CD1-CB 3.83Å; L548-W586 HydrophobicContact CD1-CG 4.49Å; L548-W586 HydrophobicContact CD2-CB 4.12Å; L548-W586 HydrophobicContact CG-CB 4.36Å; P574-W586 HydrophobicContact CB-CE3 4.4Å; P574-W586 HydrophobicContact CG-CB 4.1Å; P574-W586 HydrophobicContact CG-CD2 4.26Å; P574-W586 HydrophobicContact CG-CE3 3.51Å; P574-W586 HydrophobicContact CG-CZ3 4.3Å; P574-W586 PolarHBondContact O-N 3.47Å; W586-P588 HydrophobicContact CH2-CG 4.49Å; W586-P588 HydrophobicContact CZ2-CB 3.9Å; W586-P588 HydrophobicContact CZ2-CG 4.05Å |
| 587 | L | 87.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | trans | -122.5 | 89.3 | -179.3 | -70.9 | -178.7 | 0 | 0 | 0 | 107.8 | T191 E194 F195 I198 I523 L524 I525 T573 M589 | T191-L587 HydrophobicContact CG2-CB 3.91Å; T191-L587 HydrophobicContact CG2-CD2 3.94Å; T191-L587 HydrophobicContact CG2-CG 4.43Å; E194-L587 HydrophobicContact CB-CD2 4.37Å; E194-L587 HydrophobicContact CG-CD1 4.33Å; E194-L587 HydrophobicContact CG-CD2 3.91Å; F195-L587 HydrophobicContact CB-CD1 3.8Å; I198-L587 HydrophobicContact CD1-CD1 3.9Å; I523-L587 HydrophobicContact CG2-CB 4.27Å; I523-L587 HydrophobicContact CG2-CD1 3.79Å; I523-L587 HydrophobicContact CG2-CG 4.21Å; L524-L587 CarbonylContact O-C 3.56Å; L524-L587 PolarHBondContact O-N 2.77Å; L524-L587 VanDerWaalsContact O-O 3.07Å; I525-L587 WeakPolarHBondContact CA-O 3.49Å; T573-L587 HydrophobicContact CG2-CD2 3.37Å; T573-L587 HydrophobicContact CG2-CG 4.02Å; L587-M589 VanDerWaalsContact C-N 3.33Å; L587-M589 HydrophobicContact CB-CG 4.42Å; L587-M589 HydrophobicContact CD1-CE 4.44Å; L587-M589 WeakPolarHBondContact O-CG 3.45Å; L587-M589 PolarHBondContact O-N 2.97Å | ||
| 588 | P | 81.3 | Confident | 85.2 | Confident | 22 Ų | 22 | 20.4 Ų | 20.4 | 14% | 0.143 | 11% | 0.108 | C | C | . | . | trans | -67.5 | 89.4 | -177.2 | 27.8 | -34 | 0 | 0 | 0 | 111.1 | W586 E590 | W586-P588 HydrophobicContact CH2-CG 4.49Å; W586-P588 HydrophobicContact CZ2-CB 3.9Å; W586-P588 HydrophobicContact CZ2-CG 4.05Å; P588-E590 PolarHBondContact O-N 3.12Å | ||
| 589 | M | 80.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -98.4 | 63.3 | -178.8 | -67.4 | 177.2 | 155.9 | 0 | 0 | 110.3 | L188 T191 V192 F195 I218 L222 I525 L587 | L188-M589 HydrophobicContact CD1-CB 4.16Å; L188-M589 HydrophobicContact CD1-CG 4.19Å; T191-M589 HydrophobicContact CG2-CE 3.87Å; T191-M589 HydrophobicContact CG2-CG 3.69Å; T191-M589 WeakPolarHBondContact O-CE 3.27Å; V192-M589 VanDerWaalsContact CA-CE 3.45Å; V192-M589 HydrophobicContact CB-CE 4.27Å; V192-M589 HydrophobicContact CG2-CE 3.86Å; F195-M589 HydrophobicContact CB-CE 3.2Å; F195-M589 HydrophobicContact CB-SD 4.32Å; F195-M589 HydrophobicContact CD1-CE 4.45Å; F195-M589 HydrophobicContact CD2-CE 4.38Å; F195-M589 HydrophobicContact CG-CE 3.81Å; F195-M589 HydrophobicContact CG-SD 4.41Å; I218-M589 HydrophobicContact CD1-CB 4.32Å; I218-M589 WeakPolarHBondContact CD1-O 3.42Å; L222-M589 HydrophobicContact CD1-SD 4.07Å; L222-M589 HydrophobicContact CD2-CE 4.29Å; L222-M589 HydrophobicContact CD2-SD 3.73Å; I525-M589 HydrophobicContact CB-CB 4.23Å; I525-M589 HydrophobicContact CB-SD 4.34Å; I525-M589 HydrophobicContact CG2-CG 4.4Å; I525-M589 HydrophobicContact CG2-SD 3.68Å; I525-M589 PolarHBondContact O-N 3.18Å; L587-M589 VanDerWaalsContact C-N 3.33Å; L587-M589 HydrophobicContact CB-CG 4.42Å; L587-M589 HydrophobicContact CD1-CE 4.44Å; L587-M589 WeakPolarHBondContact O-CG 3.45Å; L587-M589 PolarHBondContact O-N 2.97Å | ||
| 590 | E | 77.9 | Confident | 85.3 | Confident | 13 Ų | 13 | 26.4 Ų | 26.4 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | trans | -108.7 | 116.8 | 176.1 | -176 | 168.5 | -137.8 | 0 | 0 | 109.4 | R18 N181 P588 R592 | R18-E590 IonicContact CZ-OE1 2.76Å; R18-E590 IonicContact NH1-OE1 2.7Å; R18-E590 PolarHBondContact NH1-OE1 2.78Å; R18-E590 IonicContact NH2-OE1 3.94Å; N181-E590 PolarHBondContact ND2-OE2 2.84Å; P588-E590 PolarHBondContact O-N 3.12Å; E590-R592 HydrophobicContact CG-CB 3.98Å; E590-R592 HydrophobicContact CG-CG 3.89Å; E590-R592 PolarHBondContact O-N 3.22Å; E590-R592 IonicContact OE1-CZ 2.94Å; E590-R592 IonicContact OE1-NE 3.52Å; E590-R592 PolarHBondContact OE1-NE 3.13Å; E590-R592 IonicContact OE1-NH1 3.99Å; E590-R592 IonicContact OE1-NH2 3.8Å; E590-R592 PolarHBondContact OE1-NH2 2.99Å; E590-R592 IonicContact OE2-CZ 2.75Å; E590-R592 VanDerWaalsContact OE2-CZ 3.22Å; E590-R592 IonicContact OE2-NE 2.87Å; E590-R592 PolarHBondContact OE2-NE 3.41Å; E590-R592 IonicContact OE2-NH2 3.46Å; E590-R592 PolarHBondContact OE2-NH2 3.05Å | ||
| 591 | A | 80 | Confident | 85.7 | Confident | 12 Ų | 12 | 21 Ų | 21 | 10% | 0.099 | 11% | 0.108 | C | C | . | . | trans | -65.4 | -5.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y132 S155 L157 | Y132-A591 HydrophobicContact CD2-CB 4.32Å; S155-A591 WeakPolarHBondContact CA-O 3.47Å; S155-A591 WeakPolarHBondContact CB-O 3.41Å; S155-A591 PolarHBondContact OG-O 3.35Å; L157-A591 HydrophobicContact CD1-CB 4.15Å | ||
| 592 | R | 86.2 | Confident | 85.9 | Confident | 21 Ų | 21 | 19.1 Ų | 19.1 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -58.8 | 142.7 | 175.3 | -75.1 | -163.3 | -75.5 | -147.8 | -0.9 | 111 | Y132 H153 T154 N181 D529 E590 G594 | Y132-R592 HydrophobicContact CD2-CG 3.94Å; Y132-R592 HydrophobicContact CE2-CG 3.54Å; H153-R592 HydrophobicContact CB-CG 4.31Å; H153-R592 VanDerWaalsContact CD2-CD 3.4Å; H153-R592 WeakPolarHBondContact CD2-CD 3.28Å; H153-R592 PolarHBondContact NE2-NH1 2.95Å; T154-R592 CarbonylContact O-C 3.59Å; T154-R592 WeakPolarHBondContact O-CA 3.3Å; N181-R592 HydrophobicContact CB-CB 3.76Å; D529-R592 IonicContact OD1-CZ 2.79Å; D529-R592 IonicContact OD1-NH1 2.92Å; D529-R592 IonicContact OD1-NH2 3.25Å; D529-R592 PolarHBondContact OD1-NH2 3.35Å; E590-R592 HydrophobicContact CG-CB 3.98Å; E590-R592 HydrophobicContact CG-CG 3.89Å; E590-R592 PolarHBondContact O-N 3.22Å; E590-R592 IonicContact OE1-CZ 2.94Å; E590-R592 IonicContact OE1-NE 3.52Å; E590-R592 PolarHBondContact OE1-NE 3.13Å; E590-R592 IonicContact OE1-NH1 3.99Å; E590-R592 IonicContact OE1-NH2 3.8Å; E590-R592 PolarHBondContact OE1-NH2 2.99Å; E590-R592 IonicContact OE2-CZ 2.75Å; E590-R592 VanDerWaalsContact OE2-CZ 3.22Å; E590-R592 IonicContact OE2-NE 2.87Å; E590-R592 PolarHBondContact OE2-NE 3.41Å; E590-R592 IonicContact OE2-NH2 3.46Å; E590-R592 PolarHBondContact OE2-NH2 3.05Å; R592-G594 PolarHBondContact O-N 2.93Å |
| 593 | I | 86.8 | Confident | 85.8 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 131.7 | 176.1 | -160.1 | 168.8 | 0 | 0 | 0 | 112.1 | T154 L156 V180 N181 Q597 L601 | T154-I593 PolarHBondContact O-N 3.34Å; L156-I593 HydrophobicContact CD1-CD1 3.91Å; L156-I593 HydrophobicContact CG-CD1 4.18Å; V180-I593 WeakPolarHBondContact CG1-O 3.44Å; N181-I593 PolarHBondContact N-O 3.1Å; I593-Q597 HydrophobicContact CD1-CB 3.97Å; I593-Q597 HydrophobicContact CG1-CB 3.52Å; I593-L601 HydrophobicContact CD1-CB 3.44Å; I593-L601 VanDerWaalsContact CD1-CB 3.44Å; I593-L601 HydrophobicContact CD1-CD1 4.37Å; I593-L601 HydrophobicContact CD1-CD2 3.71Å; I593-L601 HydrophobicContact CD1-CG 4.04Å |
| 594 | G | 83.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -77.9 | 161.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N181 R592 Q596 Q597 | N181-G594 WeakPolarHBondContact O-CA 3.48Å; R592-G594 PolarHBondContact O-N 2.93Å; G594-Q596 PolarHBondContact O-N 2.94Å; G594-Q597 PolarHBondContact O-N 2.83Å; G594-Q597 VanDerWaalsContact O-N 3.14Å |
| 595 | A | 82.2 | Confident | 85.6 | Confident | 9 Ų | 9 | 26.1 Ų | 26.1 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -53.3 | -39.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V180 N181 M182 Q597 I598 K621 F623 | V180-A595 HydrophobicContact CG1-CB 4.41Å; N181-A595 PolarHBondContact O-N 3.16Å; M182-A595 HydrophobicContact CE-CB 3.79Å; M182-A595 HydrophobicContact SD-CB 4.23Å; A595-Q597 VanDerWaalsContact C-N 3.3Å; A595-Q597 PolarHBondContact O-N 2.78Å; A595-I598 WeakPolarHBondContact O-CD1 3.45Å; A595-I598 WeakPolarHBondContact O-CG1 3.41Å; A595-I598 PolarHBondContact O-N 2.99Å; A595-K621 HydrophobicContact CB-CD 4.27Å; A595-F623 HydrophobicContact CB-CZ 4.19Å; A595-F623 WeakPolarHBondContact O-CE1 3.47Å; A595-F623 VanDerWaalsContact O-CZ 3.29Å; A595-F623 WeakPolarHBondContact O-CZ 3.32Å |
| 596 | Q | 78.5 | Confident | 85.4 | Confident | 128 Ų | 128 | 27.3 Ų | 27.3 | 60% | 0.598 | 14% | 0.139 | S | C | * | . | G | 310 helix | trans | -72.2 | -19.9 | -176.6 | -55.9 | -172.2 | 38.7 | 0 | 0 | 114.2 | D186 G594 D599 | D186-Q596 VanDerWaalsContact CG-CD 3.46Å; D186-Q596 WeakPolarHBondContact OD1-CB 3.38Å; D186-Q596 VanDerWaalsContact OD1-CD 3.23Å; D186-Q596 PolarHBondContact OD1-NE2 3.46Å; D186-Q596 PolarHBondContact OD1-OE1 2.94Å; D186-Q596 PolarHBondContact OD2-NE2 2.95Å; D186-Q596 PolarHBondContact OD2-OE1 3.22Å; G594-Q596 PolarHBondContact O-N 2.94Å; Q596-D599 VanDerWaalsContact O-OD1 3.11Å |
| 597 | Q | 84.6 | Confident | 85.3 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -93.8 | -0.5 | -176.8 | -66.6 | 172.7 | -44.5 | 0 | 0 | 112.9 | I593 G594 A595 D599 Q600 L601 | I593-Q597 HydrophobicContact CD1-CB 3.97Å; I593-Q597 HydrophobicContact CG1-CB 3.52Å; G594-Q597 PolarHBondContact O-N 2.83Å; G594-Q597 VanDerWaalsContact O-N 3.14Å; A595-Q597 VanDerWaalsContact C-N 3.3Å; A595-Q597 PolarHBondContact O-N 2.78Å; Q597-D599 PolarHBondContact O-N 3.29Å; Q597-Q600 WeakPolarHBondContact O-CB 3.48Å; Q597-Q600 PolarHBondContact O-N 2.8Å; Q597-Q600 VanDerWaalsContact O-N 3.13Å; Q597-L601 PolarHBondContact O-N 2.88Å; Q597-L601 VanDerWaalsContact O-N 3.08Å |
| 598 | I | 87.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -34.5 | -179.1 | -69.1 | 177.6 | 0 | 0 | 0 | 111.6 | V180 A595 Q600 L601 I602 V618 F623 W625 | V180-I598 HydrophobicContact CG1-CD1 4.05Å; V180-I598 HydrophobicContact CG1-CG1 4.36Å; V180-I598 HydrophobicContact CG2-CD1 3.98Å; V180-I598 HydrophobicContact CG2-CG1 4.47Å; A595-I598 WeakPolarHBondContact O-CD1 3.45Å; A595-I598 WeakPolarHBondContact O-CG1 3.41Å; A595-I598 PolarHBondContact O-N 2.99Å; I598-Q600 VanDerWaalsContact C-N 3.34Å; I598-L601 PolarHBondContact O-N 3.05Å; I598-I602 HydrophobicContact CG2-CD1 3.53Å; I598-I602 HydrophobicContact CG2-CG1 4.25Å; I598-I602 VanDerWaalsContact O-CG1 3.3Å; I598-I602 WeakPolarHBondContact O-CG1 3.42Å; I598-I602 PolarHBondContact O-N 2.93Å; I598-V618 HydrophobicContact CD1-CB 4.49Å; I598-V618 HydrophobicContact CD1-CG1 3.19Å; I598-F623 HydrophobicContact CD1-CZ 3.97Å; I598-W625 HydrophobicContact CG2-CH2 4.38Å |
| 599 | D | 86.3 | Confident | 85.6 | Confident | 37 Ų | 37 | 34.2 Ų | 34.2 | 20% | 0.198 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 177.5 | 77.4 | -53.5 | 0 | 0 | 0 | 111.8 | Q596 Q597 I602 K603 I628 | Q596-D599 VanDerWaalsContact O-OD1 3.11Å; Q597-D599 PolarHBondContact O-N 3.29Å; D599-I602 PolarHBondContact O-N 2.85Å; D599-K603 WeakPolarHBondContact O-CB 3.39Å; D599-K603 WeakPolarHBondContact O-CD 3.26Å; D599-K603 VanDerWaalsContact O-CG 3.22Å; D599-K603 WeakPolarHBondContact O-CG 3.48Å; D599-K603 PolarHBondContact O-N 2.87Å; D599-K603 IonicContact OD2-NZ 3.79Å; D599-K603 PolarHBondContact OD2-NZ 2.91Å; D599-I628 HydrophobicContact CB-CD1 3.65Å; D599-I628 HydrophobicContact CB-CG1 3.83Å |
| 600 | Q | 87 | Confident | 85.9 | Confident | 98 Ų | 98 | 36.2 Ų | 36.2 | 46% | 0.458 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 175.7 | -63.2 | 178.7 | -5.1 | 0 | 0 | 110.9 | L156 Q597 I598 K603 R604 | L156-Q600 HydrophobicContact CD1-CB 4.09Å; Q597-Q600 WeakPolarHBondContact O-CB 3.48Å; Q597-Q600 PolarHBondContact O-N 2.8Å; Q597-Q600 VanDerWaalsContact O-N 3.13Å; I598-Q600 VanDerWaalsContact C-N 3.34Å; Q600-K603 PolarHBondContact O-N 2.92Å; Q600-R604 PolarHBondContact O-N 2.92Å; Q600-R604 VanDerWaalsContact O-N 3.1Å |
| 601 | L | 89.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 175.7 | -180 | 66 | 0 | 0 | 0 | 111.9 | I151 T154 L156 F164 I177 I593 Q597 I598 K603 R604 C605 | I151-L601 HydrophobicContact CD1-CD1 4.24Å; I151-L601 HydrophobicContact CD1-CD2 4.05Å; I151-L601 HydrophobicContact CD1-CG 4.29Å; I151-L601 HydrophobicContact CG2-CD2 4.31Å; T154-L601 HydrophobicContact CG2-CD1 4.26Å; L156-L601 HydrophobicContact CD1-CB 4.37Å; L156-L601 HydrophobicContact CD2-CD1 4.18Å; F164-L601 HydrophobicContact CE1-CD1 3.88Å; F164-L601 HydrophobicContact CE2-CD1 4.42Å; F164-L601 HydrophobicContact CZ-CD1 3.82Å; I177-L601 HydrophobicContact CD1-CD2 3.92Å; I593-L601 HydrophobicContact CD1-CB 3.44Å; I593-L601 VanDerWaalsContact CD1-CB 3.44Å; I593-L601 HydrophobicContact CD1-CD1 4.37Å; I593-L601 HydrophobicContact CD1-CD2 3.71Å; I593-L601 HydrophobicContact CD1-CG 4.04Å; Q597-L601 PolarHBondContact O-N 2.88Å; Q597-L601 VanDerWaalsContact O-N 3.08Å; I598-L601 PolarHBondContact O-N 3.05Å; L601-K603 VanDerWaalsContact C-N 3.31Å; L601-K603 PolarHBondContact O-N 2.91Å; L601-R604 WeakPolarHBondContact O-CB 3.44Å; L601-R604 PolarHBondContact O-N 3.16Å; L601-R604 VanDerWaalsContact O-N 3.13Å; L601-C605 PolarHBondContact O-N 3.29Å; L601-C605 PolarHBondContact O-SG 3.2Å; L601-C605 VanDerWaalsContact O-SG 3.39Å |
| 602 | I | 89.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.2 | -35.3 | -179.5 | -64.6 | 163.2 | 0 | 0 | 0 | 111 | I598 D599 R604 C605 G606 L612 W625 I628 | I598-I602 HydrophobicContact CG2-CD1 3.53Å; I598-I602 HydrophobicContact CG2-CG1 4.25Å; I598-I602 VanDerWaalsContact O-CG1 3.3Å; I598-I602 WeakPolarHBondContact O-CG1 3.42Å; I598-I602 PolarHBondContact O-N 2.93Å; D599-I602 PolarHBondContact O-N 2.85Å; I602-R604 VanDerWaalsContact C-N 3.28Å; I602-R604 PolarHBondContact O-N 3.33Å; I602-C605 PolarHBondContact O-N 2.78Å; I602-G606 CarbonylContact O-C 3.46Å; I602-G606 WeakPolarHBondContact O-CA 3.47Å; I602-G606 PolarHBondContact O-N 3.46Å; I602-L612 HydrophobicContact CD1-CD2 3.47Å; I602-L612 VanDerWaalsContact CD1-CD2 3.47Å; I602-L612 HydrophobicContact CG1-CD2 4.26Å; I602-W625 HydrophobicContact CD1-CH2 4.12Å; I602-W625 HydrophobicContact CD1-CZ3 3.57Å; I602-I628 HydrophobicContact CB-CG2 4.37Å; I602-I628 HydrophobicContact CD1-CD1 4.43Å; I602-I628 HydrophobicContact CG2-CG2 3.61Å |
| 603 | K | 88 | Confident | 87.5 | Confident | 101 Ų | 101 | 34.8 Ų | 34.8 | 44% | 0.439 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.2 | -38 | 172.1 | -76.4 | 164.8 | -174.6 | 156.7 | 0 | 112.2 | D599 Q600 L601 S627 | D599-K603 WeakPolarHBondContact O-CB 3.39Å; D599-K603 WeakPolarHBondContact O-CD 3.26Å; D599-K603 VanDerWaalsContact O-CG 3.22Å; D599-K603 WeakPolarHBondContact O-CG 3.48Å; D599-K603 PolarHBondContact O-N 2.87Å; D599-K603 IonicContact OD2-NZ 3.79Å; D599-K603 PolarHBondContact OD2-NZ 2.91Å; Q600-K603 PolarHBondContact O-N 2.92Å; L601-K603 VanDerWaalsContact C-N 3.31Å; L601-K603 PolarHBondContact O-N 2.91Å; K603-S627 WeakPolarHBondContact CE-O 3.39Å; K603-S627 PolarHBondContact NZ-OG 3.37Å; K603-S627 VanDerWaalsContact NZ-OG 3.07Å |
| 604 | R | 88.9 | Confident | 87.7 | Confident | 51 Ų | 51 | 34.6 Ų | 34.6 | 19% | 0.192 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72 | -44.6 | 175.9 | -74.7 | -167.2 | 71.2 | 167.8 | -3.2 | 112.7 | F164 D166 E292 Q600 L601 I602 G606 | F164-R604 HydrophobicContact CE1-CB 4.25Å; F164-R604 PolarHBondContact O-NH2 3.38Å; D166-R604 HydrophobicContact CB-CB 4.35Å; D166-R604 VanDerWaalsContact CG-NH2 3.31Å; D166-R604 IonicContact OD1-CZ 3.31Å; D166-R604 IonicContact OD1-NE 3.44Å; D166-R604 IonicContact OD1-NH2 3.98Å; D166-R604 PolarHBondContact OD1-NH2 3.02Å; D166-R604 WeakPolarHBondContact OD2-CB 3.39Å; D166-R604 IonicContact OD2-CZ 3.17Å; D166-R604 IonicContact OD2-NE 2.8Å; D166-R604 PolarHBondContact OD2-NE 3.17Å; D166-R604 IonicContact OD2-NH2 2.76Å; D166-R604 PolarHBondContact OD2-NH2 3.49Å; E292-R604 IonicContact OE1-NH1 3.93Å; Q600-R604 PolarHBondContact O-N 2.92Å; Q600-R604 VanDerWaalsContact O-N 3.1Å; L601-R604 WeakPolarHBondContact O-CB 3.44Å; L601-R604 PolarHBondContact O-N 3.16Å; L601-R604 VanDerWaalsContact O-N 3.13Å; I602-R604 VanDerWaalsContact C-N 3.28Å; I602-R604 PolarHBondContact O-N 3.33Å; R604-G606 VanDerWaalsContact C-N 3.34Å; R604-G606 PolarHBondContact O-N 3.23Å |
| 605 | C | 91.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.3 | -24.7 | 179.2 | -63.7 | 0 | 0 | 0 | 0 | 113.9 | F169 L175 L601 I602 | F169-C605 CarbonylContact C-O 3.58Å; F169-C605 HydrophobicContact CB-CB 3.99Å; F169-C605 WeakPolarHBondContact CB-O 3.39Å; F169-C605 HydrophobicContact CD1-CB 3.9Å; F169-C605 HydrophobicContact CG-CB 4.14Å; L175-C605 HydrophobicContact CD2-CB 4.03Å; L601-C605 PolarHBondContact O-N 3.29Å; L601-C605 PolarHBondContact O-SG 3.2Å; L601-C605 VanDerWaalsContact O-SG 3.39Å; I602-C605 PolarHBondContact O-N 2.78Å |
| 606 | G | 87.1 | Confident | 88 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | trans | 85.4 | 161.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I602 R604 P608 | I602-G606 CarbonylContact O-C 3.46Å; I602-G606 WeakPolarHBondContact O-CA 3.47Å; I602-G606 PolarHBondContact O-N 3.46Å; R604-G606 VanDerWaalsContact C-N 3.34Å; R604-G606 PolarHBondContact O-N 3.23Å; G606-P608 WeakPolarHBondContact O-CD 3.25Å | ||
| 607 | E | 85.9 | Confident | 87.9 | Confident | 79 Ų | 79 | 34.3 Ų | 34.3 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | trans | -71.1 | 121 | 178.4 | -165.5 | -168.6 | 128.5 | 0 | 0 | 110.5 | T629 F635 K638 | E607-T629 PolarHBondContact OE2-OG1 2.79Å; E607-F635 HydrophobicContact CG-CD2 3.46Å; E607-F635 VanDerWaalsContact CG-CD2 3.46Å; E607-F635 HydrophobicContact CG-CE2 3.42Å; E607-F635 VanDerWaalsContact CG-CE2 3.42Å; E607-K638 IonicContact OE1-NZ 2.71Å; E607-K638 PolarHBondContact OE1-NZ 3.22Å | ||
| 608 | P | 90.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | trans | -64.6 | 143.5 | 176.4 | 25 | -33 | 0 | 0 | 0 | 111.7 | T172 L175 G606 A611 L612 K638 | T172-P608 WeakPolarHBondContact O-CA 3.46Å; L175-P608 HydrophobicContact CB-CB 4.01Å; L175-P608 HydrophobicContact CB-CG 4.11Å; G606-P608 WeakPolarHBondContact O-CD 3.25Å; P608-A611 WeakPolarHBondContact CB-O 3.27Å; P608-L612 HydrophobicContact CG-CB 3.8Å; P608-K638 PolarHBondContact O-NZ 3.43Å; P608-K638 VanDerWaalsContact O-NZ 3.1Å | ||
| 609 | R | 86 | Confident | 87.6 | Confident | 97 Ų | 97 | 37.6 Ų | 37.6 | 37% | 0.366 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -69.6 | -39.1 | -175.3 | -69.6 | 167.4 | 44.4 | 75.4 | 12.4 | 112.9 | T172 D173 K638 R656 | T172-R609 PolarHBondContact O-N 3.33Å; D173-R609 WeakPolarHBondContact OD1-CD 3.35Å; D173-R609 IonicContact OD1-NE 2.95Å; D173-R609 PolarHBondContact OD1-NE 2.9Å; R609-K638 WeakPolarHBondContact O-CE 3.35Å; R609-K638 PolarHBondContact O-NZ 3.5Å; R609-R656 VanDerWaalsContact CZ-CZ 3.5Å; R609-R656 VanDerWaalsContact NH2-NH2 3.16Å |
| 610 | L | 87.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 23% | 0.225 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -110.7 | -51.5 | -173.4 | -57.2 | 176 | 0 | 0 | 0 | 112.8 | D173 V174 K638 L652 P653 | D173-L610 HydrophobicContact CB-CD1 3.85Å; D173-L610 HydrophobicContact CB-CG 4.12Å; D173-L610 WeakPolarHBondContact O-CA 3.28Å; D173-L610 VanDerWaalsContact O-CB 3.29Å; D173-L610 WeakPolarHBondContact O-CB 3.37Å; D173-L610 PolarHBondContact O-N 2.64Å; V174-L610 HydrophobicContact CG2-CB 4.4Å; L610-K638 WeakPolarHBondContact O-CB 3.05Å; L610-K638 WeakPolarHBondContact O-CG 3.45Å; L610-L652 HydrophobicContact CD1-CD2 3.44Å; L610-L652 VanDerWaalsContact CD1-CD2 3.44Å; L610-P653 HydrophobicContact CD1-CG 4.17Å; L610-P653 HydrophobicContact CD2-CG 3.97Å |
| 611 | A | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 139.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D173 V174 L175 P608 K638 I650 | D173-A611 PolarHBondContact O-N 3.01Å; V174-A611 WeakPolarHBondContact CA-O 3.21Å; V174-A611 HydrophobicContact CG1-CB 4.27Å; V174-A611 HydrophobicContact CG2-CB 4.34Å; L175-A611 PolarHBondContact N-O 3.33Å; P608-A611 WeakPolarHBondContact CB-O 3.27Å; A611-K638 CarbonylContact C-O 3.3Å; A611-K638 VanDerWaalsContact CA-O 3.29Å; A611-K638 WeakPolarHBondContact CA-O 3.29Å; A611-I650 HydrophobicContact CB-CD1 3.61Å; A611-I650 HydrophobicContact CB-CG1 4.38Å; A611-I650 HydrophobicContact CB-CG2 4.29Å |
| 612 | L | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117 | 163.2 | 176.5 | 59.5 | 0 | 0 | 0 | 108.4 | L175 I177 I602 P608 L614 W625 F635 K638 L639 H640 | L175-L612 HydrophobicContact CB-CD1 4.03Å; L175-L612 HydrophobicContact CD2-CD1 3.92Å; L175-L612 HydrophobicContact CG-CD1 3.95Å; L175-L612 WeakPolarHBondContact O-CA 3.37Å; I177-L612 HydrophobicContact CD1-CD1 4.31Å; I177-L612 HydrophobicContact CG1-CD1 4.4Å; I602-L612 HydrophobicContact CD1-CD2 3.47Å; I602-L612 VanDerWaalsContact CD1-CD2 3.47Å; I602-L612 HydrophobicContact CG1-CD2 4.26Å; P608-L612 HydrophobicContact CG-CB 3.8Å; L612-L614 HydrophobicContact CD1-CD2 4.04Å; L612-L614 HydrophobicContact CD2-CD2 4.32Å; L612-L614 HydrophobicContact CG-CD2 4.04Å; L612-L614 HydrophobicContact CG-CG 4.21Å; L612-W625 HydrophobicContact CD2-CH2 4.44Å; L612-W625 HydrophobicContact CD2-CZ3 4.37Å; L612-F635 HydrophobicContact CB-CZ 4.43Å; L612-F635 HydrophobicContact CD2-CE1 4.23Å; L612-F635 HydrophobicContact CD2-CZ 3.67Å; L612-K638 PolarHBondContact N-O 3.49Å; L612-L639 HydrophobicContact CB-CD1 4.04Å; L612-L639 HydrophobicContact CD2-CD1 3.66Å; L612-L639 HydrophobicContact CG-CD1 3.82Å; L612-H640 PolarHBondContact O-N 2.58Å |
| 613 | I | 93.8 | Very high | 84.9 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.9 | 179.3 | -49.5 | 179.6 | 0 | 0 | 0 | 109.1 | V174 L175 I176 I177 H640 I642 L648 I650 | V174-I613 HydrophobicContact CG1-CD1 4.04Å; V174-I613 HydrophobicContact CG1-CG1 4.35Å; L175-I613 PolarHBondContact O-N 3.39Å; I176-I613 HydrophobicContact CD1-CD1 4.1Å; I176-I613 HydrophobicContact CG1-CB 4.4Å; I176-I613 HydrophobicContact CG1-CD1 3.89Å; I176-I613 HydrophobicContact CG1-CG1 4.38Å; I176-I613 HydrophobicContact CG2-CB 4.28Å; I177-I613 PolarHBondContact N-O 3.28Å; I613-H640 WeakPolarHBondContact CA-O 3.34Å; I613-I642 HydrophobicContact CG2-CB 4.19Å; I613-I642 HydrophobicContact CG2-CG2 3.87Å; I613-L648 HydrophobicContact CD1-CD2 4.12Å; I613-L648 HydrophobicContact CG1-CD2 4.28Å; I613-L648 HydrophobicContact CG2-CD2 4.47Å; I613-I650 HydrophobicContact CD1-CD1 3.5Å; I613-I650 HydrophobicContact CG1-CD1 3.95Å |
| 614 | L | 91.1 | Very high | 84 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 154.4 | 177.6 | -58.1 | -176.6 | 0 | 0 | 0 | 110.7 | I177 L612 V618 W625 L639 H640 G641 I642 | I177-L614 HydrophobicContact CB-CD2 3.9Å; I177-L614 HydrophobicContact CD1-CD2 3.66Å; I177-L614 HydrophobicContact CG1-CD2 3.99Å; L612-L614 HydrophobicContact CD1-CD2 4.04Å; L612-L614 HydrophobicContact CD2-CD2 4.32Å; L612-L614 HydrophobicContact CG-CD2 4.04Å; L612-L614 HydrophobicContact CG-CG 4.21Å; L614-V618 HydrophobicContact CB-CB 4.46Å; L614-V618 HydrophobicContact CD1-CG1 4.06Å; L614-W625 HydrophobicContact CD1-CH2 4.01Å; L614-W625 HydrophobicContact CD1-CZ2 4.25Å; L614-L639 HydrophobicContact CD1-CD1 3.72Å; L614-L639 HydrophobicContact CG-CD1 4.02Å; L614-H640 PolarHBondContact N-O 3.4Å; L614-G641 WeakPolarHBondContact O-CA 3.39Å; L614-I642 PolarHBondContact O-N 3.1Å |
| 615 | P | 87.5 | Confident | 83.3 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 142.6 | 167.7 | -17.2 | 33 | 0 | 0 | 0 | 109.7 | I177 E617 V618 Y619 | I177-P615 WeakPolarHBondContact O-CD 3.19Å; I177-P615 WeakPolarHBondContact O-CG 3.49Å; P615-E617 HydrophobicContact CB-CG 4.43Å; P615-E617 PolarHBondContact O-N 3.32Å; P615-E617 VanDerWaalsContact O-N 3.14Å; P615-V618 HydrophobicContact CB-CG2 4.28Å; P615-V618 HydrophobicContact CG-CG2 4.24Å; P615-V618 WeakPolarHBondContact O-CB 3.31Å; P615-V618 PolarHBondContact O-N 2.98Å; P615-Y619 PolarHBondContact O-N 3.15Å |
| 616 | Q | 83.5 | Confident | 82.1 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -50.7 | -41.6 | -178.9 | -172.9 | 66.6 | 31.9 | 0 | 0 | 112.9 | V618 Y619 D620 I642 S643 | Q616-V618 PolarHBondContact O-N 3.07Å; Q616-V618 VanDerWaalsContact O-N 3.08Å; Q616-Y619 PolarHBondContact O-N 3.46Å; Q616-Y619 VanDerWaalsContact O-N 3.11Å; Q616-D620 VanDerWaalsContact NE2-CG 3.26Å; Q616-D620 PolarHBondContact NE2-OD1 2.83Å; Q616-D620 PolarHBondContact NE2-OD2 3.38Å; Q616-D620 PolarHBondContact O-N 3.17Å; Q616-I642 PolarHBondContact N-O 2.83Å; Q616-S643 WeakPolarHBondContact CB-OG 3.28Å; Q616-S643 VanDerWaalsContact CG-OG 3.27Å; Q616-S643 WeakPolarHBondContact CG-OG 3.46Å; Q616-S643 PolarHBondContact OE1-OG 3.07Å |
| 617 | E | 76.5 | Confident | 81.1 | Confident | 65 Ų | 65 | 52 Ų | 52 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -45.4 | -39 | 175 | -45 | -67.8 | 172.8 | 0 | 0 | 113.9 | W536 P615 | W536-E617 WeakPolarHBondContact CB-OE2 3.37Å; W536-E617 HydrophobicContact CD2-CG 4.13Å; W536-E617 HydrophobicContact CE3-CG 4.01Å; W536-E617 VanDerWaalsContact CG-CD 3.43Å; W536-E617 HydrophobicContact CZ3-CG 4.29Å; P615-E617 HydrophobicContact CB-CG 4.43Å; P615-E617 PolarHBondContact O-N 3.32Å; P615-E617 VanDerWaalsContact O-N 3.14Å |
| 618 | V | 82.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -88.8 | -47.9 | -175.8 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | V180 M182 I598 L614 P615 Q616 D620 K621 F623 | V180-V618 HydrophobicContact CB-CG2 3.8Å; V180-V618 HydrophobicContact CG1-CG2 4.35Å; V180-V618 HydrophobicContact CG2-CG2 3.81Å; M182-V618 HydrophobicContact CE-CG2 3.57Å; M182-V618 HydrophobicContact SD-CG2 4.37Å; I598-V618 HydrophobicContact CD1-CB 4.49Å; I598-V618 HydrophobicContact CD1-CG1 3.19Å; L614-V618 HydrophobicContact CB-CB 4.46Å; L614-V618 HydrophobicContact CD1-CG1 4.06Å; P615-V618 HydrophobicContact CB-CG2 4.28Å; P615-V618 HydrophobicContact CG-CG2 4.24Å; P615-V618 WeakPolarHBondContact O-CB 3.31Å; P615-V618 PolarHBondContact O-N 2.98Å; Q616-V618 PolarHBondContact O-N 3.07Å; Q616-V618 VanDerWaalsContact O-N 3.08Å; V618-D620 PolarHBondContact O-N 3.27Å; V618-D620 VanDerWaalsContact O-N 3.16Å; V618-K621 WeakPolarHBondContact O-CB 3.36Å; V618-K621 PolarHBondContact O-N 3.15Å; V618-F623 HydrophobicContact CG1-CE2 3.63Å; V618-F623 HydrophobicContact CG1-CZ 3.98Å; V618-F623 VanDerWaalsContact O-CE2 3.26Å; V618-F623 WeakPolarHBondContact O-CE2 3.36Å |
| 619 | Y | 83.5 | Confident | 79.2 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 37% | 0.373 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.8 | -37 | -179.1 | -179.2 | -91.9 | 0 | 0 | 0 | 112.8 | P615 Q616 K621 L639 | P615-Y619 PolarHBondContact O-N 3.15Å; Q616-Y619 PolarHBondContact O-N 3.46Å; Q616-Y619 VanDerWaalsContact O-N 3.11Å; Y619-K621 PolarHBondContact O-N 2.88Å; Y619-L639 HydrophobicContact CD2-CD2 3.86Å; Y619-L639 HydrophobicContact CD2-CG 3.85Å; Y619-L639 HydrophobicContact CE2-CB 4.39Å; Y619-L639 HydrophobicContact CE2-CD2 3.69Å; Y619-L639 HydrophobicContact CE2-CG 3.69Å |
| 620 | D | 79.1 | Confident | 78.1 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8.4 | -179.5 | -71.3 | -27.6 | 0 | 0 | 0 | 114.4 | Q616 V618 | Q616-D620 VanDerWaalsContact NE2-CG 3.26Å; Q616-D620 PolarHBondContact NE2-OD1 2.83Å; Q616-D620 PolarHBondContact NE2-OD2 3.38Å; Q616-D620 PolarHBondContact O-N 3.17Å; V618-D620 PolarHBondContact O-N 3.27Å; V618-D620 VanDerWaalsContact O-N 3.16Å |
| 621 | K | 75.9 | Confident | 77.4 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -82.4 | 140.8 | 176.3 | -71.3 | -174.8 | 174.9 | 179.5 | 0 | 111.3 | M182 A595 V618 Y619 F623 | M182-K621 HydrophobicContact SD-CD 4.45Å; M182-K621 PolarHBondContact SD-NZ 2.88Å; A595-K621 HydrophobicContact CB-CD 4.27Å; V618-K621 WeakPolarHBondContact O-CB 3.36Å; V618-K621 PolarHBondContact O-N 3.15Å; Y619-K621 PolarHBondContact O-N 2.88Å; K621-F623 HydrophobicContact CB-CD2 4.3Å; K621-F623 HydrophobicContact CB-CE2 3.86Å; K621-F623 HydrophobicContact CB-CZ 4.32Å; K621-F623 WeakPolarHBondContact O-CD2 3.37Å; K621-F623 PolarHBondContact O-N 3.33Å |
| 622 | P | 68.8 | Low | 76.5 | Confident | 134 Ų | 134 | 58.1 Ų | 58.1 | 87% | 0.87 | 31% | 0.314 | S | S | * | . | trans | -70.8 | 104.4 | 175.1 | 28.9 | -32.5 | 0 | 0 | 0 | 109.8 | ||||
| 623 | F | 71.4 | Confident | 75.2 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | trans | -99.6 | 137.3 | 172.6 | -76.6 | -70.8 | 0 | 0 | 0 | 111.3 | A595 I598 V618 K621 W625 | A595-F623 HydrophobicContact CB-CZ 4.19Å; A595-F623 WeakPolarHBondContact O-CE1 3.47Å; A595-F623 VanDerWaalsContact O-CZ 3.29Å; A595-F623 WeakPolarHBondContact O-CZ 3.32Å; I598-F623 HydrophobicContact CD1-CZ 3.97Å; V618-F623 HydrophobicContact CG1-CE2 3.63Å; V618-F623 HydrophobicContact CG1-CZ 3.98Å; V618-F623 VanDerWaalsContact O-CE2 3.26Å; V618-F623 WeakPolarHBondContact O-CE2 3.36Å; K621-F623 HydrophobicContact CB-CD2 4.3Å; K621-F623 HydrophobicContact CB-CE2 3.86Å; K621-F623 HydrophobicContact CB-CZ 4.32Å; K621-F623 WeakPolarHBondContact O-CD2 3.37Å; K621-F623 PolarHBondContact O-N 3.33Å; F623-W625 HydrophobicContact CB-CD2 4.18Å; F623-W625 HydrophobicContact CB-CG 4.49Å; F623-W625 HydrophobicContact CB-CZ2 3.72Å; F623-W625 AromaticContact CD2-CZ2 3.89Å; F623-W625 HydrophobicContact CD2-CZ2 3.89Å; F623-W625 AromaticContact CG-CZ2 3.98Å; F623-W625 HydrophobicContact CG-CZ2 3.98Å; F623-W625 VanDerWaalsContact O-CD1 3.32Å; F623-W625 PolarHBondContact O-N 3.42Å | ||
| 624 | D | 69.1 | Low | 74.1 | Confident | 117 Ų | 117 | 70.9 Ų | 70.9 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | trans | -83.9 | 87.3 | 169.1 | -171.1 | 4.5 | 0 | 0 | 0 | 110.4 | S626 | D624-S626 PolarHBondContact O-N 2.6Å; D624-S626 WeakPolarHBondContact OD1-CB 3.37Å; D624-S626 PolarHBondContact OD1-N 3.15Å; D624-S626 VanDerWaalsContact OD1-N 3.17Å; D624-S626 PolarHBondContact OD1-OG 3.32Å; D624-S626 PolarHBondContact OD2-OG 2.87Å | ||
| 625 | W | 74.6 | Confident | 73.5 | Confident | 25 Ų | 25 | 70.9 Ų | 70.9 | 10% | 0.095 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -68.7 | -8.1 | 178.8 | -61 | 103.6 | 0 | 0 | 0 | 113.7 | I598 I602 L612 L614 F623 S627 I628 T629 F635 L639 | I598-W625 HydrophobicContact CG2-CH2 4.38Å; I602-W625 HydrophobicContact CD1-CH2 4.12Å; I602-W625 HydrophobicContact CD1-CZ3 3.57Å; L612-W625 HydrophobicContact CD2-CH2 4.44Å; L612-W625 HydrophobicContact CD2-CZ3 4.37Å; L614-W625 HydrophobicContact CD1-CH2 4.01Å; L614-W625 HydrophobicContact CD1-CZ2 4.25Å; F623-W625 HydrophobicContact CB-CD2 4.18Å; F623-W625 HydrophobicContact CB-CG 4.49Å; F623-W625 HydrophobicContact CB-CZ2 3.72Å; F623-W625 AromaticContact CD2-CZ2 3.89Å; F623-W625 HydrophobicContact CD2-CZ2 3.89Å; F623-W625 AromaticContact CG-CZ2 3.98Å; F623-W625 HydrophobicContact CG-CZ2 3.98Å; F623-W625 VanDerWaalsContact O-CD1 3.32Å; F623-W625 PolarHBondContact O-N 3.42Å; W625-S627 PolarHBondContact O-N 3.11Å; W625-I628 HydrophobicContact CD2-CD1 4.4Å; W625-I628 HydrophobicContact CE3-CD1 3.29Å; W625-I628 HydrophobicContact CZ3-CD1 3.54Å; W625-I628 PolarHBondContact O-N 2.7Å; W625-I628 VanDerWaalsContact O-N 3.11Å; W625-T629 PolarHBondContact O-N 3.25Å; W625-F635 HydrophobicContact CD2-CD1 4.44Å; W625-F635 HydrophobicContact CD2-CE1 4.12Å; W625-F635 HydrophobicContact CE3-CD1 4.16Å; W625-F635 AromaticContact CE3-CE1 3.51Å; W625-F635 HydrophobicContact CE3-CE1 3.51Å; W625-F635 HydrophobicContact CE3-CZ 4.47Å; W625-F635 AromaticContact CZ3-CE1 3.88Å; W625-F635 HydrophobicContact CZ3-CE1 3.88Å; W625-L639 HydrophobicContact CH2-CD1 4.36Å; W625-L639 HydrophobicContact CZ2-CD1 4.32Å; W625-L639 HydrophobicContact CZ2-CD2 3.8Å |
| 626 | S | 65.3 | Low | 72.9 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -62.8 | -23.6 | -178.7 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | D624 I628 | D624-S626 PolarHBondContact O-N 2.6Å; D624-S626 WeakPolarHBondContact OD1-CB 3.37Å; D624-S626 PolarHBondContact OD1-N 3.15Å; D624-S626 VanDerWaalsContact OD1-N 3.17Å; D624-S626 PolarHBondContact OD1-OG 3.32Å; D624-S626 PolarHBondContact OD2-OG 2.87Å; S626-I628 VanDerWaalsContact C-N 3.34Å |
| 627 | S | 67.4 | Low | 72.5 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -77.6 | -17.5 | 178.4 | 79.6 | 0 | 0 | 0 | 0 | 114 | K603 W625 | K603-S627 WeakPolarHBondContact CE-O 3.39Å; K603-S627 PolarHBondContact NZ-OG 3.37Å; K603-S627 VanDerWaalsContact NZ-OG 3.07Å; W625-S627 PolarHBondContact O-N 3.11Å |
| 628 | I | 68 | Low | 72.9 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 16% | 0.164 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -41.1 | -172.3 | -65.7 | 155.2 | 0 | 0 | 0 | 111.1 | D599 I602 W625 S626 | D599-I628 HydrophobicContact CB-CD1 3.65Å; D599-I628 HydrophobicContact CB-CG1 3.83Å; I602-I628 HydrophobicContact CB-CG2 4.37Å; I602-I628 HydrophobicContact CD1-CD1 4.43Å; I602-I628 HydrophobicContact CG2-CG2 3.61Å; W625-I628 HydrophobicContact CD2-CD1 4.4Å; W625-I628 HydrophobicContact CE3-CD1 3.29Å; W625-I628 HydrophobicContact CZ3-CD1 3.54Å; W625-I628 PolarHBondContact O-N 2.7Å; W625-I628 VanDerWaalsContact O-N 3.11Å; S626-I628 VanDerWaalsContact C-N 3.34Å |
| 629 | T | 67.7 | Low | 73.1 | Confident | 13 Ų | 13 | 76.8 Ų | 76.8 | 8% | 0.08 | 41% | 0.409 | C | S | . | . | trans | -131.3 | 143.7 | -175.1 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | E607 W625 K631 P632 F635 | E607-T629 PolarHBondContact OE2-OG1 2.79Å; W625-T629 PolarHBondContact O-N 3.25Å; T629-K631 PolarHBondContact O-N 2.75Å; T629-K631 PolarHBondContact OG1-N 3.46Å; T629-P632 HydrophobicContact CG2-CB 4.45Å; T629-F635 HydrophobicContact CG2-CB 3.5Å; T629-F635 VanDerWaalsContact CG2-CB 3.5Å; T629-F635 HydrophobicContact CG2-CD1 4.27Å; T629-F635 HydrophobicContact CG2-CG 3.87Å | ||
| 630 | T | 63.8 | Low | 73.4 | Confident | 139 Ų | 139 | 74.9 Ų | 74.9 | 85% | 0.853 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -70.7 | -13.2 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 631 | K | 71.8 | Confident | 73.8 | Confident | 118 Ų | 118 | 70.6 Ų | 70.6 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | trans | -131.1 | 73.1 | -178.4 | -63.5 | -176 | -174.5 | 175.1 | 0 | 111.1 | T629 E633 Q634 F635 | T629-K631 PolarHBondContact O-N 2.75Å; T629-K631 PolarHBondContact OG1-N 3.46Å; K631-E633 VanDerWaalsContact C-N 3.26Å; K631-E633 PolarHBondContact O-N 3.43Å; K631-Q634 HydrophobicContact CB-CB 4.28Å; K631-Q634 HydrophobicContact CB-CG 4.37Å; K631-Q634 PolarHBondContact O-N 2.88Å; K631-Q634 VanDerWaalsContact O-N 3.14Å; K631-F635 PolarHBondContact O-N 2.89Å | ||
| 632 | P | 70.8 | Confident | 74.3 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.6 | -36.7 | -175.8 | 22.4 | -33.5 | 0 | 0 | 0 | 113.1 | T629 Q634 F635 L636 | T629-P632 HydrophobicContact CG2-CB 4.45Å; P632-Q634 VanDerWaalsContact C-N 3.34Å; P632-Q634 PolarHBondContact O-N 3.28Å; P632-F635 PolarHBondContact O-N 2.76Å; P632-L636 VanDerWaalsContact O-CG 3.28Å; P632-L636 WeakPolarHBondContact O-CG 3.32Å; P632-L636 PolarHBondContact O-N 3.17Å |
| 633 | E | 67.7 | Low | 75 | Confident | 168 Ų | 168 | 66 Ų | 66 | 79% | 0.785 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 179.4 | -65 | -175.2 | 174.5 | 0 | 0 | 113.2 | K631 | K631-E633 VanDerWaalsContact C-N 3.26Å; K631-E633 PolarHBondContact O-N 3.43Å |
| 634 | Q | 69.5 | Low | 75 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73 | -38.3 | 177.4 | -66.4 | -173.5 | -17.3 | 0 | 0 | 110.9 | K631 P632 T637 | K631-Q634 HydrophobicContact CB-CB 4.28Å; K631-Q634 HydrophobicContact CB-CG 4.37Å; K631-Q634 PolarHBondContact O-N 2.88Å; K631-Q634 VanDerWaalsContact O-N 3.14Å; P632-Q634 VanDerWaalsContact C-N 3.34Å; P632-Q634 PolarHBondContact O-N 3.28Å; Q634-T637 PolarHBondContact O-N 3.42Å; Q634-T637 PolarHBondContact O-OG1 3.49Å |
| 635 | F | 78.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 178.9 | -174.6 | -104.3 | 0 | 0 | 0 | 112.8 | E607 L612 W625 T629 K631 P632 T637 K638 L639 | E607-F635 HydrophobicContact CG-CD2 3.46Å; E607-F635 VanDerWaalsContact CG-CD2 3.46Å; E607-F635 HydrophobicContact CG-CE2 3.42Å; E607-F635 VanDerWaalsContact CG-CE2 3.42Å; L612-F635 HydrophobicContact CB-CZ 4.43Å; L612-F635 HydrophobicContact CD2-CE1 4.23Å; L612-F635 HydrophobicContact CD2-CZ 3.67Å; W625-F635 HydrophobicContact CD2-CD1 4.44Å; W625-F635 HydrophobicContact CD2-CE1 4.12Å; W625-F635 HydrophobicContact CE3-CD1 4.16Å; W625-F635 AromaticContact CE3-CE1 3.51Å; W625-F635 HydrophobicContact CE3-CE1 3.51Å; W625-F635 HydrophobicContact CE3-CZ 4.47Å; W625-F635 AromaticContact CZ3-CE1 3.88Å; W625-F635 HydrophobicContact CZ3-CE1 3.88Å; T629-F635 HydrophobicContact CG2-CB 3.5Å; T629-F635 VanDerWaalsContact CG2-CB 3.5Å; T629-F635 HydrophobicContact CG2-CD1 4.27Å; T629-F635 HydrophobicContact CG2-CG 3.87Å; K631-F635 PolarHBondContact O-N 2.89Å; P632-F635 PolarHBondContact O-N 2.76Å; F635-T637 PolarHBondContact O-N 3.1Å; F635-T637 VanDerWaalsContact O-N 3.16Å; F635-K638 WeakPolarHBondContact O-CB 3.24Å; F635-K638 PolarHBondContact O-N 2.83Å; F635-L639 PolarHBondContact O-N 3.36Å |
| 636 | L | 76.1 | Confident | 75.3 | Confident | 89 Ų | 89 | 74.1 Ų | 74.1 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.4 | -30.3 | 176.1 | -75.2 | 167.1 | 0 | 0 | 0 | 112.7 | P632 K638 L639 | P632-L636 VanDerWaalsContact O-CG 3.28Å; P632-L636 WeakPolarHBondContact O-CG 3.32Å; P632-L636 PolarHBondContact O-N 3.17Å; L636-K638 PolarHBondContact O-N 3.41Å; L636-L639 PolarHBondContact O-N 3.06Å |
| 637 | T | 74.5 | Confident | 76 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -17.6 | 175.9 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | Q634 F635 | Q634-T637 PolarHBondContact O-N 3.42Å; Q634-T637 PolarHBondContact O-OG1 3.49Å; F635-T637 PolarHBondContact O-N 3.1Å; F635-T637 VanDerWaalsContact O-N 3.16Å |
| 638 | K | 84.1 | Confident | 76.7 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -9.9 | 176.8 | -57.9 | 179.6 | 178.8 | 176.8 | 0 | 112.9 | E607 P608 R609 L610 A611 L612 F635 L636 H640 | E607-K638 IonicContact OE1-NZ 2.71Å; E607-K638 PolarHBondContact OE1-NZ 3.22Å; P608-K638 PolarHBondContact O-NZ 3.43Å; P608-K638 VanDerWaalsContact O-NZ 3.1Å; R609-K638 WeakPolarHBondContact O-CE 3.35Å; R609-K638 PolarHBondContact O-NZ 3.5Å; L610-K638 WeakPolarHBondContact O-CB 3.05Å; L610-K638 WeakPolarHBondContact O-CG 3.45Å; A611-K638 CarbonylContact C-O 3.3Å; A611-K638 VanDerWaalsContact CA-O 3.29Å; A611-K638 WeakPolarHBondContact CA-O 3.29Å; L612-K638 PolarHBondContact N-O 3.49Å; F635-K638 WeakPolarHBondContact O-CB 3.24Å; F635-K638 PolarHBondContact O-N 2.83Å; L636-K638 PolarHBondContact O-N 3.41Å; K638-H640 PolarHBondContact O-CD2 3.49Å; K638-H640 VanDerWaalsContact O-CD2 3.29Å |
| 639 | L | 88.2 | Confident | 77.4 | Confident | 11 Ų | 11 | 82.7 Ų | 82.7 | 6% | 0.058 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.8 | -174.4 | -171.9 | 69.4 | 0 | 0 | 0 | 110.3 | L612 L614 Y619 W625 F635 L636 | L612-L639 HydrophobicContact CB-CD1 4.04Å; L612-L639 HydrophobicContact CD2-CD1 3.66Å; L612-L639 HydrophobicContact CG-CD1 3.82Å; L614-L639 HydrophobicContact CD1-CD1 3.72Å; L614-L639 HydrophobicContact CG-CD1 4.02Å; Y619-L639 HydrophobicContact CD2-CD2 3.86Å; Y619-L639 HydrophobicContact CD2-CG 3.85Å; Y619-L639 HydrophobicContact CE2-CB 4.39Å; Y619-L639 HydrophobicContact CE2-CD2 3.69Å; Y619-L639 HydrophobicContact CE2-CG 3.69Å; W625-L639 HydrophobicContact CH2-CD1 4.36Å; W625-L639 HydrophobicContact CZ2-CD1 4.32Å; W625-L639 HydrophobicContact CZ2-CD2 3.8Å; F635-L639 PolarHBondContact O-N 3.36Å; L636-L639 PolarHBondContact O-N 3.06Å |
| 640 | H | 89.7 | Confident | 78.1 | Confident | 56 Ų | 56 | 84.2 Ų | 84.2 | 26% | 0.259 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.6 | 178.6 | -59.8 | -75.2 | 0 | 0 | 0 | 111.2 | L612 I613 L614 K638 L648 | L612-H640 PolarHBondContact O-N 2.58Å; I613-H640 WeakPolarHBondContact CA-O 3.34Å; L614-H640 PolarHBondContact N-O 3.4Å; K638-H640 PolarHBondContact O-CD2 3.49Å; K638-H640 VanDerWaalsContact O-CD2 3.29Å; H640-L648 HydrophobicContact CB-CD2 3.54Å |
| 641 | G | 87 | Confident | 78.4 | Confident | 10 Ų | 10 | 85.7 Ų | 85.7 | 10% | 0.103 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L614 | L614-G641 WeakPolarHBondContact O-CA 3.39Å |
| 642 | I | 87 | Confident | 78.3 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.1 | 171.6 | -164.2 | 169.1 | 0 | 0 | 0 | 110.3 | I613 L614 Q616 Q646 L648 | I613-I642 HydrophobicContact CG2-CB 4.19Å; I613-I642 HydrophobicContact CG2-CG2 3.87Å; L614-I642 PolarHBondContact O-N 3.1Å; Q616-I642 PolarHBondContact N-O 2.83Å; I642-Q646 HydrophobicContact CG1-CB 4.14Å; I642-L648 HydrophobicContact CD1-CB 4.29Å |
| 643 | S | 82.1 | Confident | 77.7 | Confident | 47 Ų | 47 | 84.4 Ų | 84.4 | 33% | 0.329 | 43% | 0.43 | S | S | . | . | trans | -85.5 | 162.9 | 174.7 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | Q616 H645 Q646 | Q616-S643 WeakPolarHBondContact CB-OG 3.28Å; Q616-S643 VanDerWaalsContact CG-OG 3.27Å; Q616-S643 WeakPolarHBondContact CG-OG 3.46Å; Q616-S643 PolarHBondContact OE1-OG 3.07Å; S643-H645 PolarHBondContact O-N 3.07Å; S643-Q646 VanDerWaalsContact O-CB 3.27Å; S643-Q646 WeakPolarHBondContact O-CB 3.35Å; S643-Q646 PolarHBondContact O-N 3.23Å; S643-Q646 PolarHBondContact OG-OE1 3.29Å | ||
| 644 | Y | 72.2 | Confident | 77 | Confident | 148 Ų | 148 | 83.2 Ų | 83.2 | 58% | 0.58 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 133.2 | 171.5 | -172 | -116 | 0 | 0 | 0 | 110.7 | F534 Q646 | F534-Y644 HydrophobicContact CE1-CE1 4.22Å; Y644-Q646 PolarHBondContact O-N 3.12Å; Y644-Q646 VanDerWaalsContact O-N 3.1Å |
| 645 | H | 70.5 | Confident | 76 | Confident | 133 Ų | 133 | 80.4 Ų | 80.4 | 62% | 0.616 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 1.9 | -177 | -71.3 | 44.5 | 0 | 0 | 0 | 116.5 | S643 | S643-H645 PolarHBondContact O-N 3.07Š|
| 646 | Q | 78.5 | Confident | 74.4 | Confident | 84 Ų | 84 | 86.6 Ų | 86.6 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | trans | -76 | 138.3 | 175.2 | -171.3 | 179 | -4.6 | 0 | 0 | 110.6 | I642 S643 Y644 | I642-Q646 HydrophobicContact CG1-CB 4.14Å; S643-Q646 VanDerWaalsContact O-CB 3.27Å; S643-Q646 WeakPolarHBondContact O-CB 3.35Å; S643-Q646 PolarHBondContact O-N 3.23Å; S643-Q646 PolarHBondContact OG-OE1 3.29Å; Y644-Q646 PolarHBondContact O-N 3.12Å; Y644-Q646 VanDerWaalsContact O-N 3.1Å | ||
| 647 | Q | 80.4 | Confident | 72.8 | Confident | 166 Ų | 166 | 90.2 Ų | 90.2 | 78% | 0.776 | 46% | 0.457 | S | S | * | . | trans | -102 | 127.1 | 169 | -67 | -178.4 | -15.9 | 0 | 0 | 108.8 | ||||
| 648 | L | 83.3 | Confident | 71 | Confident | 58 Ų | 58 | 91.1 Ų | 91.1 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | trans | -112.8 | 123.7 | 174.4 | -179 | 67.1 | 0 | 0 | 0 | 108.5 | I613 H640 I642 I650 | I613-L648 HydrophobicContact CD1-CD2 4.12Å; I613-L648 HydrophobicContact CG1-CD2 4.28Å; I613-L648 HydrophobicContact CG2-CD2 4.47Å; H640-L648 HydrophobicContact CB-CD2 3.54Å; I642-L648 HydrophobicContact CD1-CB 4.29Å; L648-I650 HydrophobicContact CD2-CD1 3.88Å; L648-I650 HydrophobicContact CD2-CG1 4.09Å; L648-I650 HydrophobicContact CG-CD1 4.35Å; L648-I650 HydrophobicContact CG-CG1 4.09Å | ||
| 649 | C | 82.8 | Confident | 68.6 | Low | 116 Ų | 116 | 98.1 Ų | 98.1 | 78% | 0.784 | 49% | 0.487 | S | S | * | . | trans | -106.6 | 110.1 | 174.8 | -173 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 650 | I | 80.9 | Confident | 66 | Low | 46 Ų | 46 | 102.6 Ų | 102.6 | 24% | 0.236 | 51% | 0.51 | C | S | . | . | trans | -99.4 | 118.8 | 173.6 | -64 | 158.6 | 0 | 0 | 0 | 106.8 | V174 A611 I613 L648 L652 | V174-I650 HydrophobicContact CG1-CD1 4.46Å; A611-I650 HydrophobicContact CB-CD1 3.61Å; A611-I650 HydrophobicContact CB-CG1 4.38Å; A611-I650 HydrophobicContact CB-CG2 4.29Å; I613-I650 HydrophobicContact CD1-CD1 3.5Å; I613-I650 HydrophobicContact CG1-CD1 3.95Å; L648-I650 HydrophobicContact CD2-CD1 3.88Å; L648-I650 HydrophobicContact CD2-CG1 4.09Å; L648-I650 HydrophobicContact CG-CD1 4.35Å; L648-I650 HydrophobicContact CG-CG1 4.09Å; I650-L652 PolarHBondContact O-N 2.82Å | ||
| 651 | Q | 71.4 | Confident | 63.3 | Low | 169 Ų | 169 | 109.2 Ų | 109.2 | 79% | 0.79 | 54% | 0.541 | S | S | * | . | trans | -75.2 | 110.6 | 172.1 | -69.1 | -155.6 | -0.1 | 0 | 0 | 109.1 | ||||
| 652 | L | 68.3 | Low | 60.8 | Low | 68 Ų | 68 | 112 Ų | 112 | 36% | 0.356 | 55% | 0.553 | S | S | . | * | trans | -71 | 134 | 168.9 | -58.4 | 169.8 | 0 | 0 | 0 | 107.6 | E146 V174 L610 I650 E654 | E146-L652 HydrophobicContact CB-CD1 4.48Å; E146-L652 HydrophobicContact CG-CB 4.28Å; E146-L652 HydrophobicContact CG-CD1 4.06Å; V174-L652 HydrophobicContact CG2-CD2 3.77Å; L610-L652 HydrophobicContact CD1-CD2 3.44Å; L610-L652 VanDerWaalsContact CD1-CD2 3.44Å; I650-L652 PolarHBondContact O-N 2.82Å; L652-E654 PolarHBondContact O-N 3.28Å | ||
| 653 | P | 59.9 | Low | 58 | Low | 73 Ų | 73 | 112 Ų | 112 | 47% | 0.474 | 56% | 0.559 | S | S | . | * | trans | -58.4 | 127.2 | -177.9 | 22.5 | -30.6 | 0 | 0 | 0 | 109.7 | L610 T655 | L610-P653 HydrophobicContact CD1-CG 4.17Å; L610-P653 HydrophobicContact CD2-CG 3.97Å; P653-T655 PolarHBondContact O-N 2.96Å | ||
| 654 | E | 51.7 | Low | 55.9 | Low | 142 Ų | 142 | 115 Ų | 115 | 66% | 0.664 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -57 | 106.6 | 178.7 | -71.8 | -176 | 166.5 | 0 | 0 | 110 | L652 | L652-E654 PolarHBondContact O-N 3.28Š|
| 655 | T | 50.1 | Low | 54.2 | Low | 55 Ų | 55 | 116 Ų | 116 | 34% | 0.337 | 58% | 0.582 | S | S | . | * | trans | 58.5 | 110.1 | 167.1 | 49.8 | 0 | 0 | 0 | 0 | 117.5 | P653 L657 | P653-T655 PolarHBondContact O-N 2.96Å; T655-L657 PolarHBondContact O-N 2.9Å | ||
| 656 | R | 44.1 | Very low | 52.6 | Low | 132 Ų | 132 | 112.9 Ų | 112.9 | 50% | 0.498 | 57% | 0.569 | S | S | . | * | trans | -65.9 | 129.3 | 142.7 | -79.2 | 172.4 | 158 | 176 | -17.2 | 107.9 | T145 R609 E658 | T145-R656 HydrophobicContact CG2-CB 4.48Å; R609-R656 VanDerWaalsContact CZ-CZ 3.5Å; R609-R656 VanDerWaalsContact NH2-NH2 3.16Å; R656-E658 PolarHBondContact O-N 3.37Å | ||
| 657 | L | 41.5 | Very low | 50.5 | Low | 165 Ų | 165 | 113.6 Ų | 113.6 | 86% | 0.864 | 58% | 0.575 | S | S | * | * | trans | -60.6 | 115.9 | 167.5 | -69.9 | 164.1 | 0 | 0 | 0 | 107.2 | T655 Q659 | T655-L657 PolarHBondContact O-N 2.9Å; L657-Q659 PolarHBondContact O-N 3.36Å | ||
| 658 | E | 37.1 | Very low | 48.3 | Very low | 128 Ų | 128 | 113.4 Ų | 113.4 | 60% | 0.598 | 57% | 0.574 | S | S | * | * | trans | -60.6 | 135.1 | 170.1 | -78.5 | -166.4 | 159.1 | 0 | 0 | 109.6 | S144 R656 I660 | S144-E658 WeakPolarHBondContact CB-OE1 3.49Å; R656-E658 PolarHBondContact O-N 3.37Å; E658-I660 PolarHBondContact O-N 3Å; E658-I660 VanDerWaalsContact O-N 3.07Å | ||
| 659 | Q | 33.2 | Very low | 46 | Very low | 193 Ų | 193 | 118 Ų | 118 | 90% | 0.902 | 59% | 0.593 | S | S | * | * | trans | -73.9 | 97.2 | 167.9 | -82.6 | -173.8 | -13.9 | 0 | 0 | 108.9 | L657 H661 | L657-Q659 PolarHBondContact O-N 3.36Å; Q659-H661 PolarHBondContact O-N 3.41Å | ||
| 660 | I | 34.8 | Very low | 43.7 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 54% | 0.538 | 58% | 0.577 | S | S | . | * | trans | -75.3 | 122.7 | 168.9 | -57.9 | 172 | 0 | 0 | 0 | 108 | E658 L662 | E658-I660 PolarHBondContact O-N 3Å; E658-I660 VanDerWaalsContact O-N 3.07Å; I660-L662 PolarHBondContact O-N 2.84Å | ||
| 661 | H | 33.1 | Very low | 41.5 | Very low | 194 Ų | 194 | 123.3 Ų | 123.3 | 90% | 0.898 | 61% | 0.605 | S | S | * | * | trans | -71 | 92.5 | 173.2 | -117.3 | 97.7 | 0 | 0 | 0 | 109.5 | Q659 | Q659-H661 PolarHBondContact O-N 3.41Š| ||
| 662 | L | 33.3 | Very low | 39.6 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 37% | 0.366 | 60% | 0.597 | S | S | . | * | trans | -76.4 | 130.4 | 175 | -72 | 161.1 | 0 | 0 | 0 | 110 | I660 T664 L666 I667 I670 | I660-L662 PolarHBondContact O-N 2.84Å; L662-T664 PolarHBondContact O-N 3.23Å; L662-L666 HydrophobicContact CD2-CB 4.49Å; L662-I667 HydrophobicContact CB-CD1 4.3Å; L662-I667 HydrophobicContact CB-CG1 3.93Å; L662-I670 HydrophobicContact CD1-CD1 3.94Å; L662-I670 HydrophobicContact CD2-CD1 4.14Å | ||
| 663 | S | 29.5 | Very low | 37.9 | Very low | 61 Ų | 61 | 121.6 Ų | 121.6 | 43% | 0.427 | 61% | 0.605 | S | S | . | * | trans | -48.3 | 135.4 | 166.1 | 155.2 | 0 | 0 | 0 | 0 | 110.5 | K665 L666 I667 | S663-K665 PolarHBondContact O-N 2.81Å; S663-K665 PolarHBondContact OG-N 3.15Å; S663-L666 WeakPolarHBondContact O-CA 3.48Å; S663-L666 WeakPolarHBondContact O-CB 3.33Å; S663-L666 PolarHBondContact O-N 2.99Å; S663-I667 PolarHBondContact O-N 2.93Å | ||
| 664 | T | 37.1 | Very low | 36.3 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.5 | -20 | 179.9 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | L662 H668 | L662-T664 PolarHBondContact O-N 3.23Å; T664-H668 PolarHBondContact O-ND1 2.86Å |
| 665 | K | 37.4 | Very low | 35.3 | Very low | 171 Ų | 171 | 127 Ų | 127 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.9 | -30.6 | 172.2 | -64.4 | -178.2 | 179.4 | 177.8 | 0 | 112.8 | S663 H669 | S663-K665 PolarHBondContact O-N 2.81Å; S663-K665 PolarHBondContact OG-N 3.15Å; K665-H669 PolarHBondContact O-ND1 3.22Å |
| 666 | L | 35.4 | Very low | 34.2 | Very low | 66 Ų | 66 | 133.7 Ų | 133.7 | 35% | 0.346 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -80 | -37.3 | 178.8 | -97.2 | 142 | 0 | 0 | 0 | 112.2 | L662 S663 H668 H669 I670 | L662-L666 HydrophobicContact CD2-CB 4.49Å; S663-L666 WeakPolarHBondContact O-CA 3.48Å; S663-L666 WeakPolarHBondContact O-CB 3.33Å; S663-L666 PolarHBondContact O-N 2.99Å; L666-H668 PolarHBondContact O-N 2.81Å; L666-H668 VanDerWaalsContact O-N 3.16Å; L666-H669 PolarHBondContact O-N 3.06Å; L666-I670 HydrophobicContact CB-CD1 4.2Å; L666-I670 HydrophobicContact CD2-CD1 3.96Å; L666-I670 WeakPolarHBondContact O-CG1 3.44Å; L666-I670 PolarHBondContact O-N 3.38Å |
| 667 | I | 35.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 51% | 0.508 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -59.9 | -30.7 | -177 | -66.4 | 173.4 | 0 | 0 | 0 | 112.5 | L662 S663 H669 | L662-I667 HydrophobicContact CB-CD1 4.3Å; L662-I667 HydrophobicContact CB-CG1 3.93Å; S663-I667 PolarHBondContact O-N 2.93Å; I667-H669 PolarHBondContact O-N 3.1Å |
| 668 | H | 33.8 | Very low | 32.8 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -16.2 | 177 | -71.7 | 85 | 0 | 0 | 0 | 114.1 | T664 L666 | T664-H668 PolarHBondContact O-ND1 2.86Å; L666-H668 PolarHBondContact O-N 2.81Å; L666-H668 VanDerWaalsContact O-N 3.16Å |
| 669 | H | 35.7 | Very low | 32.5 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 71% | 0.708 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -7.9 | -173 | -62.8 | 94.5 | 0 | 0 | 0 | 113.8 | K665 L666 I667 | K665-H669 PolarHBondContact O-ND1 3.22Å; L666-H669 PolarHBondContact O-N 3.06Å; I667-H669 PolarHBondContact O-N 3.1Å |
| 670 | I | 35 | Very low | 32.2 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 46% | 0.456 | 65% | 0.649 | S | S | . | * | trans | -96.3 | 104.4 | -178.4 | -62.1 | 167 | 0 | 0 | 0 | 109.2 | L662 L666 | L662-I670 HydrophobicContact CD1-CD1 3.94Å; L662-I670 HydrophobicContact CD2-CD1 4.14Å; L666-I670 HydrophobicContact CB-CD1 4.2Å; L666-I670 HydrophobicContact CD2-CD1 3.96Å; L666-I670 WeakPolarHBondContact O-CG1 3.44Å; L666-I670 PolarHBondContact O-N 3.38Å | ||
| 671 | K | 33.5 | Very low | 31.8 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 81% | 0.809 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 140.1 | 159.7 | -78.8 | -177.5 | 177.5 | 178 | 0 | 108.9 | I673 | K671-I673 PolarHBondContact O-N 3.37Š|
| 672 | P | 32.5 | Very low | 31.7 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.1 | 177.2 | 22.5 | -31 | 0 | 0 | 0 | 110.6 | Y674 | P672-Y674 HydrophobicContact CB-CE2 3.89Å; P672-Y674 HydrophobicContact CG-CE2 3.94Å |
| 673 | I | 31.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 133 Ų | 133 | 54% | 0.544 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -85.8 | 117.5 | 177.5 | -61.2 | 173.3 | 0 | 0 | 0 | 108.3 | K671 I675 | K671-I673 PolarHBondContact O-N 3.37Å; I673-I675 HydrophobicContact CG2-CG1 4.11Å |
| 674 | Y | 27.6 | Very low | 31.4 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 73% | 0.725 | 70% | 0.696 | S | S | * | * | trans | -105.5 | 106.5 | 173.6 | -67 | -85.4 | 0 | 0 | 0 | 109.9 | P672 K676 | P672-Y674 HydrophobicContact CB-CE2 3.89Å; P672-Y674 HydrophobicContact CG-CE2 3.94Å; Y674-K676 PolarHBondContact O-N 3.34Å | ||
| 675 | I | 30.4 | Very low | 31 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | trans | -85.8 | 103.4 | 173.9 | -55.3 | 176.3 | 0 | 0 | 0 | 108.9 | I673 L677 | I673-I675 HydrophobicContact CG2-CG1 4.11Å; I675-L677 HydrophobicContact CG2-CD1 4.23Å | ||
| 676 | K | 25.8 | Very low | 30.7 | Very low | 194 Ų | 194 | 139 Ų | 139 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -90.5 | 107.7 | 165.3 | -77.5 | -178.3 | 179.3 | 175.5 | 0 | 109.1 | Y674 K678 | Y674-K676 PolarHBondContact O-N 3.34Å; K676-K678 PolarHBondContact O-N 3.34Å | ||
| 677 | L | 28.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | -68.3 | 112.1 | 166 | -115.7 | 84.5 | 0 | 0 | 0 | 108.8 | I675 Q679 | I675-L677 HydrophobicContact CG2-CD1 4.23Å; L677-Q679 PolarHBondContact O-N 2.84Å | ||
| 678 | K | 28.9 | Very low | 30.4 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | -69.3 | 117.7 | 164.6 | -76.2 | -176.1 | -179.6 | 176.9 | 0 | 107.5 | K676 S680 E822 | K676-K678 PolarHBondContact O-N 3.34Å; K678-S680 PolarHBondContact O-N 3.25Å; K678-E822 IonicContact NZ-OE1 3.57Å; K678-E822 PolarHBondContact NZ-OE1 3.14Å | ||
| 679 | Q | 29.7 | Very low | 30.4 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | trans | -69 | 118.6 | 168.2 | -78 | 173.4 | -41.4 | 0 | 0 | 108.1 | L677 N681 | L677-Q679 PolarHBondContact O-N 2.84Å; Q679-N681 VanDerWaalsContact C-N 3.25Å; Q679-N681 PolarHBondContact O-N 2.95Å | ||
| 680 | S | 27.8 | Very low | 30.1 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -72.1 | 84.4 | 163.5 | 53.3 | 0 | 0 | 0 | 0 | 108.5 | K678 E682 | K678-S680 PolarHBondContact O-N 3.25Å; S680-E682 PolarHBondContact O-N 3.34Å | ||
| 681 | N | 27.3 | Very low | 30 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -87.1 | 91.7 | 156.5 | -80.8 | 1.6 | 0 | 0 | 0 | 106.6 | Q679 G683 | Q679-N681 VanDerWaalsContact C-N 3.25Å; Q679-N681 PolarHBondContact O-N 2.95Å; N681-G683 PolarHBondContact O-N 3.16Å | ||
| 682 | E | 30.6 | Very low | 29.9 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -71.6 | 121.3 | 161 | -76.5 | -174.3 | 159.7 | 0 | 0 | 108.7 | S680 | S680-E682 PolarHBondContact O-N 3.34Š| ||
| 683 | G | 27.1 | Very low | 29.9 | Very low | 65 Ų | 65 | 151.6 Ų | 151.6 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 86.7 | 91.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | N681 | N681-G683 PolarHBondContact O-N 3.16Š| ||
| 684 | I | 29.4 | Very low | 29.9 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | -167.7 | 111.9 | 118.5 | -83.3 | 143.8 | 0 | 0 | 0 | 106.2 | |||||
| 685 | E | 27.3 | Very low | 30.2 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.9 | 172.3 | -69.1 | -179.5 | 144.6 | 0 | 0 | 111.4 | ||
| 686 | P | 31.6 | Very low | 30.4 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 121.8 | 157.9 | 32.1 | -20.7 | 0 | 0 | 0 | 110.3 | ||
| 687 | N | 33 | Very low | 30.9 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 131.6 | 169.5 | -79.1 | -47.2 | 0 | 0 | 0 | 111.2 | ||
| 688 | D | 31.5 | Very low | 31 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -47 | 175 | 159.5 | -108 | -26.2 | 0 | 0 | 0 | 114 | ||||
| 689 | P | 34.9 | Very low | 31.3 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -143.6 | 172.9 | -0.5 | 26.6 | -1 | 0 | 0 | 0 | 116.6 | ||||
| 690 | L | 29 | Very low | 31.5 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -29.6 | 135.3 | 155.6 | -67.1 | 151.7 | 0 | 0 | 0 | 117.8 | ||||
| 691 | K | 31.8 | Very low | 31.8 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | 159.1 | 131.4 | 147.6 | -93.2 | 168.3 | -174.1 | -176.3 | 0 | 106.5 | ||||
| 692 | E | 32.4 | Very low | 32.1 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | cis | -162.8 | 132.6 | 27.6 | -97.2 | 162.8 | 165.7 | 0 | 0 | 106.5 | ||||
| 693 | K | 31.8 | Very low | 32.1 | Very low | 185 Ų | 185 | 144.9 Ų | 144.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | 51.7 | 119.1 | 108.2 | -92.1 | -175 | 177.7 | 175.1 | 0 | 118.1 | |||||
| 694 | N | 32.6 | Very low | 32.3 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | 106.4 | 113.6 | 127.3 | -68.9 | -11.6 | 0 | 0 | 0 | 120.1 | |||||
| 695 | N | 34 | Very low | 32.3 | Very low | 122 Ų | 122 | 148 Ų | 148 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | 92.4 | 118.9 | 123.5 | -71.8 | -11 | 0 | 0 | 0 | 120.7 | |||||
| 696 | K | 34.6 | Very low | 32.6 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | trans | 68.4 | 145.5 | 130.2 | -68.9 | 174 | 163.3 | -123 | 0 | 116 | ||||
| 697 | E | 35.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | cis | -169.4 | 141.8 | 10.2 | -118.7 | 158.2 | -158.1 | 0 | 0 | 105.6 | ||||
| 698 | N | 31.2 | Very low | 32.3 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 51.4 | 141.2 | 134.4 | -73.9 | -4.2 | 0 | 0 | 0 | 124.7 | ||||
| 699 | N | 35.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | trans | 107.7 | 100.3 | 141.2 | -69.6 | -8 | 0 | 0 | 0 | 118.8 | ||||
| 700 | D | 33.1 | Very low | 31.9 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | 70.4 | 129.7 | 110.7 | -68.8 | -8.4 | 0 | 0 | 0 | 122 | |||||
| 701 | N | 34.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 157 Ų | 157 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | 102.2 | 119 | 133.9 | -72.3 | -33.2 | 0 | 0 | 0 | 120.7 | ||||
| 702 | K | 34 | Very low | 31.7 | Very low | 174 Ų | 174 | 156 Ų | 156 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | 80 | 111.8 | 133.3 | -71.1 | 174 | 178.1 | 175.4 | 0 | 117.9 | ||||
| 703 | E | 30.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | 85.3 | 128.7 | 69.6 | -154.9 | -168.3 | -129.2 | 0 | 0 | 112.6 | |||||
| 704 | K | 31.8 | Very low | 31.4 | Very low | 163 Ų | 163 | 153.2 Ų | 153.2 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | 110.7 | 108.4 | 156.3 | -62.8 | -171.8 | 177.5 | 173.9 | 0 | 119.4 | ||||
| 705 | N | 29.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | 49.8 | 123.5 | 122.7 | -61.5 | -3 | 0 | 0 | 0 | 119.3 | |||||
| 706 | N | 32 | Very low | 31 | Very low | 160 Ų | 160 | 158.5 Ų | 158.5 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | -170.2 | 139.8 | 106.9 | -91.2 | -22.4 | 0 | 0 | 0 | 113.1 | |||||
| 707 | E | 28.1 | Very low | 30.5 | Very low | 182 Ų | 182 | 158.4 Ų | 158.4 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -57 | 148.4 | 174.9 | -58.7 | 164.1 | 139.5 | 0 | 0 | 113.4 | ||||
| 708 | K | 30.4 | Very low | 30.1 | Very low | 197 Ų | 197 | 158.6 Ų | 158.6 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -175.8 | 95.3 | 139.3 | -102.9 | 164.3 | -174.6 | -177.4 | 0 | 112.8 | ||||
| 709 | K | 27 | Very low | 29.9 | Very low | 210 Ų | 210 | 161 Ų | 161 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | 13.2 | 108.1 | 127.2 | -159.4 | 179 | -168.4 | -179.8 | 0 | 116.5 | |||||
| 710 | I | 31 | Very low | 29.5 | Very low | 159 Ų | 159 | 162 Ų | 162 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -143.4 | 129.4 | 159 | -59 | -177.6 | 0 | 0 | 0 | 110 | ||||
| 711 | D | 28.5 | Very low | 29.3 | Very low | 142 Ų | 142 | 162 Ų | 162 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -49.6 | 138 | 173.5 | -91.4 | -51.5 | 0 | 0 | 0 | 114.5 | ||||
| 712 | L | 29.3 | Very low | 28.9 | Very low | 176 Ų | 176 | 162.4 Ų | 162.4 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -111.6 | 72.4 | 164.9 | -125.9 | 80.2 | 0 | 0 | 0 | 109.7 | ||||
| 713 | K | 28.7 | Very low | 28.5 | Very low | 197 Ų | 197 | 161.3 Ų | 161.3 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -135.1 | 65.9 | 162.6 | -85.8 | -166.1 | 176.5 | -173.8 | 0 | 109.4 | ||||
| 714 | S | 27.7 | Very low | 28.4 | Very low | 100 Ų | 100 | 161.5 Ų | 161.5 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -173.4 | 103.7 | 161.6 | 53.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 715 | L | 28.3 | Very low | 28.2 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -177.4 | 63.8 | 150.1 | -95 | 152.9 | 0 | 0 | 0 | 107.5 | ||||
| 716 | Q | 30 | Very low | 28.2 | Very low | 186 Ų | 186 | 161.9 Ų | 161.9 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -83.1 | 133.7 | 145.2 | -91.6 | -179.3 | -31.3 | 0 | 0 | 107.1 | ||||
| 717 | M | 25.6 | Very low | 27.9 | Very low | 162 Ų | 162 | 159.9 Ų | 159.9 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 60.2 | 127.6 | 158.7 | -103.3 | 58.6 | 156.2 | 0 | 0 | 118.7 | ||
| 718 | N | 25.7 | Very low | 28 | Very low | 137 Ų | 137 | 159.2 Ų | 159.2 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 89.9 | 77.9 | 164.7 | -54.8 | -23.2 | 0 | 0 | 0 | 116.9 | ||||
| 719 | Q | 28.4 | Very low | 28.1 | Very low | 192 Ų | 192 | 157.4 Ų | 157.4 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | -139.4 | 93 | 129.5 | -73.5 | -161.2 | -2.6 | 0 | 0 | 110.3 | N721 | Q719-N721 PolarHBondContact O-N 3.06Š| |||
| 720 | I | 26.7 | Very low | 28.4 | Very low | 148 Ų | 148 | 156 Ų | 156 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -70 | 110.8 | 153.5 | -67.3 | 165.1 | 0 | 0 | 0 | 106 | ||||
| 721 | N | 27.8 | Very low | 28.6 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | 158.7 | 117.8 | 137.7 | -86 | -28.5 | 0 | 0 | 0 | 111.8 | Q719 | Q719-N721 PolarHBondContact O-N 3.06Š| ||
| 722 | N | 25.8 | Very low | 29.1 | Very low | 135 Ų | 135 | 159.8 Ų | 159.8 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 47.8 | 97.1 | 137.6 | -57.9 | -16.2 | 0 | 0 | 0 | 117.3 | ||||
| 723 | N | 26.2 | Very low | 29.8 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | 160.1 | 101.1 | 115.6 | -77.9 | -21.7 | 0 | 0 | 0 | 108.2 | |||||
| 724 | D | 28.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -174 | 72.9 | 150 | -88.7 | -24.1 | 0 | 0 | 0 | 107.6 | V726 | D724-V726 PolarHBondContact O-N 3.21Š| ||
| 725 | E | 27.3 | Very low | 31.1 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | trans | -72.3 | 82 | 165.7 | -84.9 | -170.4 | 149 | 0 | 0 | 109.3 | I727 | E725-I727 VanDerWaalsContact C-N 3.33Å; E725-I727 HydrophobicContact CB-CG1 4.3Å; E725-I727 PolarHBondContact O-N 3.38Å | ||
| 726 | V | 29 | Very low | 31.7 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | -78.5 | 94.1 | 153.5 | 179.2 | 0 | 0 | 0 | 0 | 106.1 | D724 E728 | D724-V726 PolarHBondContact O-N 3.21Å; V726-E728 VanDerWaalsContact C-N 3.27Å; V726-E728 PolarHBondContact O-N 3.34Å | ||
| 727 | I | 27.1 | Very low | 32.3 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 61% | 0.605 | 69% | 0.694 | S | S | * | * | trans | -64.9 | 88.1 | 177.6 | -60.9 | 172.8 | 0 | 0 | 0 | 108.7 | E725 K729 | E725-I727 VanDerWaalsContact C-N 3.33Å; E725-I727 HydrophobicContact CB-CG1 4.3Å; E725-I727 PolarHBondContact O-N 3.38Å; I727-K729 PolarHBondContact O-N 3.22Å; I727-K729 VanDerWaalsContact O-N 3.15Å | ||
| 728 | E | 30.4 | Very low | 32.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | trans | -70.3 | 104.6 | 167.7 | -147.2 | 173.1 | -154.8 | 0 | 0 | 107.6 | V726 K730 | V726-E728 VanDerWaalsContact C-N 3.27Å; V726-E728 PolarHBondContact O-N 3.34Å; E728-K730 VanDerWaalsContact C-N 3.35Å; E728-K730 PolarHBondContact O-N 2.49Å | ||
| 729 | K | 30.8 | Very low | 33.5 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -62.4 | 89.5 | -177.7 | -72.7 | 177.4 | 176.7 | 176.1 | 0 | 110.3 | I727 R731 | I727-K729 PolarHBondContact O-N 3.22Å; I727-K729 VanDerWaalsContact O-N 3.15Å; K729-R731 PolarHBondContact O-N 3.1Å | ||
| 730 | K | 34.9 | Very low | 33.7 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 78% | 0.783 | 67% | 0.67 | S | S | * | * | trans | -53.7 | 102.3 | 167.4 | -87.4 | -176.6 | 173.8 | 177.5 | 0 | 109.9 | E728 K732 | E728-K730 VanDerWaalsContact C-N 3.35Å; E728-K730 PolarHBondContact O-N 2.49Å; K730-K732 PolarHBondContact O-N 2.96Å | ||
| 731 | R | 34.2 | Very low | 34.4 | Very low | 213 Ų | 213 | 125.9 Ų | 125.9 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | trans | -72.2 | 107.7 | 172.9 | -70.3 | 177.5 | 176.4 | 170.1 | -0.2 | 107.6 | K729 C733 | K729-R731 PolarHBondContact O-N 3.1Å; R731-C733 PolarHBondContact O-N 3.08Å; R731-C733 VanDerWaalsContact O-N 3.1Å | ||
| 732 | K | 38.7 | Very low | 35.2 | Very low | 169 Ų | 169 | 119.9 Ų | 119.9 | 74% | 0.735 | 62% | 0.617 | S | S | * | * | trans | -74.3 | 98.4 | 171.1 | -68.7 | -173.6 | 179 | -175.5 | 0 | 108.8 | K730 | K730-K732 PolarHBondContact O-N 2.96Š| ||
| 733 | C | 43.4 | Very low | 36.1 | Very low | 66 Ų | 66 | 114.7 Ų | 114.7 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | trans | -84.1 | 143.1 | 170.4 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | R731 R744 | R731-C733 PolarHBondContact O-N 3.08Å; R731-C733 VanDerWaalsContact O-N 3.1Å; C733-R744 PolarHBondContact O-N 2.8Å; C733-R744 VanDerWaalsContact O-N 3.1Å | ||
| 734 | I | 43 | Very low | 36.9 | Very low | 105 Ų | 105 | 114.5 Ų | 114.5 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.6 | 179 | -50.5 | 172.9 | 0 | 0 | 0 | 107.7 | L741 A742 L750 | I734-L741 HydrophobicContact CG2-CB 3.89Å; I734-L741 HydrophobicContact CG2-CD2 3.42Å; I734-L741 VanDerWaalsContact CG2-CD2 3.42Å; I734-L741 HydrophobicContact CG2-CG 4.21Å; I734-A742 WeakPolarHBondContact CG2-O 3.11Å; I734-L750 HydrophobicContact CD1-CD1 4.5Å |
| 735 | A | 41.4 | Very low | 37.8 | Very low | 39 Ų | 39 | 111 Ų | 111 | 32% | 0.322 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A742 | A735-A742 PolarHBondContact N-O 3.06Å; A735-A742 PolarHBondContact O-N 2.95Å |
| 736 | L | 41.9 | Very low | 38.5 | Very low | 108 Ų | 108 | 104.6 Ų | 104.6 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114.5 | 171.4 | -136.4 | 101.7 | 0 | 0 | 0 | 108.2 | L741 I918 | L736-L741 HydrophobicContact CD1-CD2 3.98Å; L736-L741 HydrophobicContact CD1-CG 4.42Å; L736-I918 HydrophobicContact CD1-CG2 4.45Å |
| 737 | V | 41.8 | Very low | 39 | Very low | 68 Ų | 68 | 106 Ų | 106 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118.5 | 174 | -177.2 | 0 | 0 | 0 | 0 | 107 | G739 M740 A742 | V737-G739 PolarHBondContact O-N 2.98Å; V737-M740 PolarHBondContact N-O 3.01Å; V737-M740 PolarHBondContact O-N 3.17Å; V737-A742 HydrophobicContact CG2-CB 4.46Å |
| 738 | N | 38.7 | Very low | 39.6 | Very low | 161 Ų | 161 | 105.4 Ų | 105.4 | 86% | 0.861 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.2 | -178.7 | -60.8 | -18.1 | 0 | 0 | 0 | 114.5 | M740 | N738-M740 VanDerWaalsContact C-N 3.27Å; N738-M740 PolarHBondContact O-N 3.34Å |
| 739 | G | 37.4 | Very low | 40.3 | Very low | 64 Ų | 64 | 103.2 Ų | 103.2 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 2.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V737 | V737-G739 PolarHBondContact O-N 2.98Š|
| 740 | M | 32.8 | Very low | 40.6 | Very low | 82 Ų | 82 | 101.3 Ų | 101.3 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.5 | 175.5 | -67.1 | -174.2 | 70.1 | 0 | 0 | 111.5 | V737 N738 A742 W749 | V737-M740 PolarHBondContact N-O 3.01Å; V737-M740 PolarHBondContact O-N 3.17Å; N738-M740 VanDerWaalsContact C-N 3.27Å; N738-M740 PolarHBondContact O-N 3.34Å; M740-A742 PolarHBondContact O-N 3.01Å; M740-W749 HydrophobicContact CB-CE3 4.06Å; M740-W749 HydrophobicContact CB-CZ3 3.87Å; M740-W749 HydrophobicContact CE-CE3 3.64Å; M740-W749 HydrophobicContact CE-CZ3 4.16Å; M740-W749 HydrophobicContact CG-CZ3 4.4Å; M740-W749 HydrophobicContact SD-CE3 3.89Å; M740-W749 HydrophobicContact SD-CZ3 3.75Å |
| 741 | L | 40.9 | Very low | 40.9 | Very low | 60 Ų | 60 | 96.7 Ų | 96.7 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 111.3 | 173.5 | -73.3 | 162.4 | 0 | 0 | 0 | 109.5 | I734 L736 L750 I815 | I734-L741 HydrophobicContact CG2-CB 3.89Å; I734-L741 HydrophobicContact CG2-CD2 3.42Å; I734-L741 VanDerWaalsContact CG2-CD2 3.42Å; I734-L741 HydrophobicContact CG2-CG 4.21Å; L736-L741 HydrophobicContact CD1-CD2 3.98Å; L736-L741 HydrophobicContact CD1-CG 4.42Å; L741-L750 HydrophobicContact CB-CD1 4.08Å; L741-L750 PolarHBondContact O-N 3.17Å; L741-I815 HydrophobicContact CD1-CD1 3.68Å |
| 742 | A | 44.6 | Very low | 41 | Very low | 3 Ų | 3 | 88.7 Ų | 88.7 | 3% | 0.025 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 149.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I734 A735 V737 M740 | I734-A742 WeakPolarHBondContact CG2-O 3.11Å; A735-A742 PolarHBondContact N-O 3.06Å; A735-A742 PolarHBondContact O-N 2.95Å; V737-A742 HydrophobicContact CG2-CB 4.46Å; M740-A742 PolarHBondContact O-N 3.01Å |
| 743 | T | 46.3 | Very low | 40.8 | Very low | 26 Ų | 26 | 90.7 Ų | 90.7 | 16% | 0.16 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 142.9 | 161.2 | 48.8 | 0 | 0 | 0 | 0 | 108.7 | D745 G746 H748 | T743-D745 WeakPolarHBondContact CB-OD1 3.49Å; T743-D745 PolarHBondContact O-N 2.7Å; T743-D745 PolarHBondContact OG1-OD1 3.22Å; T743-G746 PolarHBondContact O-N 3.36Å; T743-H748 HydrophobicContact CG2-CB 3.85Å; T743-H748 PolarHBondContact N-O 3.48Å; T743-H748 WeakPolarHBondContact OG1-CB 3.49Å; T743-H748 PolarHBondContact OG1-N 3.04Å; T743-H748 PolarHBondContact OG1-O 3.16Å |
| 744 | R | 43.1 | Very low | 40.4 | Very low | 147 Ų | 147 | 96.5 Ų | 96.5 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -22.3 | -178.6 | -173.1 | -176.7 | 168.6 | 100.7 | 2.6 | 113.8 | C733 G746 | C733-R744 PolarHBondContact O-N 2.8Å; C733-R744 VanDerWaalsContact O-N 3.1Å; R744-G746 VanDerWaalsContact C-N 3.29Å |
| 745 | D | 46 | Very low | 39.9 | Very low | 88 Ų | 88 | 97.1 Ų | 97.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -1.9 | 174.6 | 65.9 | -1.6 | 0 | 0 | 0 | 114.4 | T743 K747 | T743-D745 WeakPolarHBondContact CB-OD1 3.49Å; T743-D745 PolarHBondContact O-N 2.7Å; T743-D745 PolarHBondContact OG1-OD1 3.22Å; D745-K747 HydrophobicContact CB-CD 4.41Å; D745-K747 HydrophobicContact CB-CG 4.26Å; D745-K747 WeakPolarHBondContact O-CG 3.5Å; D745-K747 PolarHBondContact O-N 2.71Å; D745-K747 PolarHBondContact OD1-N 3.06Å; D745-K747 VanDerWaalsContact OD1-N 3.08Å |
| 746 | G | 43.2 | Very low | 39.3 | Very low | 43 Ų | 43 | 105 Ų | 105 | 44% | 0.443 | 54% | 0.536 | S | S | . | . | S | Bend | trans | 65.9 | 1.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T743 R744 | T743-G746 PolarHBondContact O-N 3.36Å; R744-G746 VanDerWaalsContact C-N 3.29Å |
| 747 | K | 38.2 | Very low | 38.9 | Very low | 159 Ų | 159 | 106.4 Ų | 106.4 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | trans | -84.4 | -25.2 | -170.8 | -67.9 | -178 | -177.9 | 178.6 | 0 | 113.6 | D745 | D745-K747 HydrophobicContact CB-CD 4.41Å; D745-K747 HydrophobicContact CB-CG 4.26Å; D745-K747 WeakPolarHBondContact O-CG 3.5Å; D745-K747 PolarHBondContact O-N 2.71Å; D745-K747 PolarHBondContact OD1-N 3.06Å; D745-K747 VanDerWaalsContact OD1-N 3.08Å | ||
| 748 | H | 40.8 | Very low | 38.4 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 49% | 0.486 | 56% | 0.564 | S | S | . | * | trans | -129.6 | 122 | -175.9 | -53.3 | 82 | 0 | 0 | 0 | 110.3 | T743 | T743-H748 HydrophobicContact CG2-CB 3.85Å; T743-H748 PolarHBondContact N-O 3.48Å; T743-H748 WeakPolarHBondContact OG1-CB 3.49Å; T743-H748 PolarHBondContact OG1-N 3.04Å; T743-H748 PolarHBondContact OG1-O 3.16Å | ||
| 749 | W | 43.4 | Very low | 37.9 | Very low | 123 Ų | 123 | 109.3 Ų | 109.3 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -96.6 | 131.3 | 172.8 | -59.9 | 80 | 0 | 0 | 0 | 108 | M740 I751 | M740-W749 HydrophobicContact CB-CE3 4.06Å; M740-W749 HydrophobicContact CB-CZ3 3.87Å; M740-W749 HydrophobicContact CE-CE3 3.64Å; M740-W749 HydrophobicContact CE-CZ3 4.16Å; M740-W749 HydrophobicContact CG-CZ3 4.4Å; M740-W749 HydrophobicContact SD-CE3 3.89Å; M740-W749 HydrophobicContact SD-CZ3 3.75Å; W749-I751 VanDerWaalsContact C-N 3.3Å; W749-I751 HydrophobicContact CB-CD1 4.23Å; W749-I751 HydrophobicContact CB-CG1 3.87Å; W749-I751 PolarHBondContact O-N 2.95Å |
| 750 | L | 38.6 | Very low | 37.5 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | trans | -77.8 | 85.3 | 171.4 | -76.3 | 165.1 | 0 | 0 | 0 | 108.7 | I734 L741 | I734-L750 HydrophobicContact CD1-CD1 4.5Å; L741-L750 HydrophobicContact CB-CD1 4.08Å; L741-L750 PolarHBondContact O-N 3.17Å | ||
| 751 | I | 40.1 | Very low | 37.3 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 43% | 0.426 | 59% | 0.586 | S | S | . | * | trans | -91 | 132.5 | 176.3 | -49.4 | 172.5 | 0 | 0 | 0 | 108.8 | W749 E755 L757 | W749-I751 VanDerWaalsContact C-N 3.3Å; W749-I751 HydrophobicContact CB-CD1 4.23Å; W749-I751 HydrophobicContact CB-CG1 3.87Å; W749-I751 PolarHBondContact O-N 2.95Å; I751-E755 HydrophobicContact CG2-CB 4.08Å; I751-L757 HydrophobicContact CD1-CD1 4.04Å | ||
| 752 | G | 36.1 | Very low | 36.7 | Very low | 45 Ų | 45 | 122.8 Ų | 122.8 | 46% | 0.464 | 61% | 0.612 | S | S | . | * | trans | -65.7 | 144.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H754 E755 | G752-H754 PolarHBondContact O-N 3.03Å; G752-E755 PolarHBondContact O-N 3.19Å | ||
| 753 | K | 35 | Very low | 35.7 | Very low | 212 Ų | 212 | 131.1 Ų | 131.1 | 92% | 0.922 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 6.1 | -178 | -70.9 | -177 | 176.6 | 179.2 | 0 | 115.8 | ||
| 754 | H | 35.1 | Very low | 34.8 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 87% | 0.87 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 1.6 | -179 | -78.2 | -73 | 0 | 0 | 0 | 115.5 | G752 | G752-H754 PolarHBondContact O-N 3.03Š|
| 755 | E | 32.4 | Very low | 34 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 55% | 0.551 | 69% | 0.694 | S | S | * | * | trans | -95.4 | 105.4 | 176.2 | -87.4 | 173.9 | 159.8 | 0 | 0 | 111.2 | I751 G752 | I751-E755 HydrophobicContact CG2-CB 4.08Å; G752-E755 PolarHBondContact O-N 3.19Å | ||
| 756 | K | 30.2 | Very low | 33.1 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 89% | 0.891 | 71% | 0.709 | S | S | * | * | trans | -76.6 | 115.3 | 160.9 | -82.3 | -179.2 | 173.4 | -178 | 0 | 107.8 | E758 | K756-E758 PolarHBondContact O-N 3.33Š| ||
| 757 | L | 33.5 | Very low | 32.4 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | trans | -69 | 115.9 | 162.3 | -88.8 | 104.2 | 0 | 0 | 0 | 108.6 | I751 | I751-L757 HydrophobicContact CD1-CD1 4.04Š| ||
| 758 | E | 30.2 | Very low | 31.8 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -71.1 | 133.4 | 156.4 | -83.9 | -167.4 | 155.9 | 0 | 0 | 108.6 | K756 | K756-E758 PolarHBondContact O-N 3.33Š| ||
| 759 | P | 29.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -76 | 141.1 | 166.3 | 33.7 | -27.7 | 0 | 0 | 0 | 107.6 | ||
| 760 | D | 29 | Very low | 30.4 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 114.3 | 83.1 | 172 | -58.4 | -18.6 | 0 | 0 | 0 | 113 | ||||
| 761 | I | 27.9 | Very low | 29.8 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -162.8 | 84.5 | 136 | -77 | 128.1 | 0 | 0 | 0 | 105 | ||||
| 762 | I | 27.2 | Very low | 29.3 | Very low | 167 Ų | 167 | 153 Ų | 153 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -120 | 98.9 | 155.7 | -60.7 | 176.5 | 0 | 0 | 0 | 104.9 | ||||
| 763 | Q | 25.1 | Very low | 28.9 | Very low | 177 Ų | 177 | 159 Ų | 159 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -125.2 | 121 | 156.4 | -81.6 | -169 | -11.6 | 0 | 0 | 107.4 | ||||
| 764 | P | 25.9 | Very low | 28.8 | Very low | 114 Ų | 114 | 155 Ų | 155 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 131.6 | 169.1 | 30.2 | -28.8 | 0 | 0 | 0 | 108.5 | E766 | P764-E766 PolarHBondContact O-N 3.36Š| ||
| 765 | V | 26.8 | Very low | 28.5 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -78.6 | 113.3 | 171.4 | 176 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 766 | E | 27.9 | Very low | 28.5 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -77.5 | 136 | 167.6 | -77.9 | -176.9 | 159.3 | 0 | 0 | 111.5 | P764 | P764-E766 PolarHBondContact O-N 3.36Š| ||
| 767 | D | 27.6 | Very low | 28.4 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 37.6 | 127.8 | 144 | -65.8 | -16.4 | 0 | 0 | 0 | 119.8 | ||||
| 768 | S | 26.1 | Very low | 28.3 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | 170.8 | 152.6 | 67.2 | 42.5 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 769 | V | 29.2 | Very low | 28.3 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | 179 | 115.4 | 129 | 164.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 770 | M | 25.8 | Very low | 28.3 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | 0.4 | 134.5 | 158.8 | -66.1 | 172.4 | 74.2 | 0 | 0 | 120.3 | ||||
| 771 | R | 24.8 | Very low | 28.3 | Very low | 236 Ų | 236 | 145.5 Ų | 145.5 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -125.1 | 130.4 | 147.3 | -174.4 | 175.2 | -82.6 | -157.4 | -2.6 | 109.9 | ||||
| 772 | P | 30.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -82.1 | 149.2 | -176 | 2.2 | 15.4 | 0 | 0 | 0 | 112.8 | ||||
| 773 | M | 28.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -79.3 | 165.8 | 171.2 | -66 | 177.3 | 68.4 | 0 | 0 | 112.6 | ||||
| 774 | T | 32.5 | Very low | 29.1 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 93.6 | 125 | 163 | 55 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 775 | P | 29 | Very low | 29.5 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 145 | 167.6 | 35.8 | -28.7 | 0 | 0 | 0 | 110.5 | ||
| 776 | P | 32.9 | Very low | 29.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 130.6 | 165.3 | 33.2 | -24.5 | 0 | 0 | 0 | 111.1 | ||
| 777 | T | 28 | Very low | 29.8 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 153.7 | 163.6 | 11.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 778 | T | 31.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 90.1 | 114.1 | 155.3 | 55.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 779 | T | 29.8 | Very low | 29.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 85.7 | 101.6 | 132.8 | 50.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 780 | N | 28.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | 44.9 | 113.6 | 124.6 | -59.1 | -9 | 0 | 0 | 0 | 119.6 | |||||
| 781 | T | 30.4 | Very low | 30.1 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | 161.2 | 130 | 98.8 | 36.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 782 | S | 32.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 46.9 | 138.3 | 144.1 | 64 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 783 | T | 31.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | cis | -177.4 | 163.4 | 4.1 | 14.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 784 | P | 33.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -107.5 | 160.4 | -164.7 | 39 | -30.7 | 0 | 0 | 0 | 115.7 | ||||
| 785 | A | 32.3 | Very low | 30.3 | Very low | 89 Ų | 89 | 123.9 Ų | 123.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -168.1 | 112.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 786 | T | 29.2 | Very low | 30.2 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | 45.8 | 119.1 | 94.1 | 26.2 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 787 | T | 32.9 | Very low | 30 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | 165.4 | 109.2 | 128.3 | 26.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 788 | T | 27.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 60.6 | 114 | 91.5 | 51.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 789 | A | 28.9 | Very low | 29.6 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | 91.4 | 135.9 | 120.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 790 | N | 28.8 | Very low | 29.3 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | 74.9 | 148.8 | 148.4 | -62.3 | -13.2 | 0 | 0 | 0 | 117.6 | ||||
| 791 | S | 29.8 | Very low | 29.2 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | cis | 172.1 | 169.1 | -3.4 | 161 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 792 | L | 33.6 | Very low | 28.9 | Very low | 155 Ų | 155 | 132 Ų | 132 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | 103.1 | 108.6 | 164.7 | -59.2 | 138.1 | 0 | 0 | 0 | 114.4 | ||||
| 793 | N | 27.8 | Very low | 28.4 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | 91 | 137.7 | 53.8 | -82.7 | -6.2 | 0 | 0 | 0 | 115.2 | |||||
| 794 | N | 30.4 | Very low | 28.1 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 103.4 | 105 | 166.1 | -58.1 | -16 | 0 | 0 | 0 | 114.4 | ||||
| 795 | A | 27.8 | Very low | 27.7 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | 61.9 | 127.6 | 74.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 796 | S | 27.6 | Very low | 27.3 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -172.8 | 144.2 | 17 | 42.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 797 | D | 29 | Very low | 27 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | -174.4 | 138.6 | 122.2 | -108.3 | -23.8 | 0 | 0 | 0 | 113.4 | |||||
| 798 | Q | 26 | Very low | 26.6 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 133.6 | -178.2 | -64.7 | 170.7 | -4.5 | 0 | 0 | 110.1 | ||||
| 799 | S | 24.1 | Very low | 26.5 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | 156.3 | 131 | 121.1 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 800 | K | 24.3 | Very low | 26.3 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | 70.9 | 88.8 | 159.5 | -60.3 | 171.5 | -179.9 | 178.4 | 0 | 117.4 | ||||
| 801 | E | 26.6 | Very low | 26.2 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | 176.9 | 92.4 | 127.4 | -101 | 173.9 | 179.6 | 0 | 0 | 109.4 | |||||
| 802 | S | 22.6 | Very low | 26.3 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -126.7 | 88 | 170.2 | 59.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 803 | I | 23.5 | Very low | 26.3 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -174.1 | 137.4 | 168.6 | -91.1 | 142.6 | 0 | 0 | 0 | 106.4 | ||||
| 804 | L | 24.2 | Very low | 26.6 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | 92.8 | 112 | 179.7 | -55.8 | 147.9 | 0 | 0 | 0 | 113.6 | ||||
| 805 | K | 25.7 | Very low | 26.9 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | cis | -151.6 | 119.1 | 30.2 | -60.6 | 169.6 | 178.5 | 175.5 | 0 | 107.4 | ||||
| 806 | S | 22.9 | Very low | 27.4 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | 48.4 | 126.2 | 67.5 | 73.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 807 | N | 23.2 | Very low | 28.1 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 102.7 | 111.6 | 166.6 | -54.9 | -6.2 | 0 | 0 | 0 | 113 | ||||
| 808 | M | 23.8 | Very low | 28.6 | Very low | 163 Ų | 163 | 133 Ų | 133 | 80% | 0.803 | 71% | 0.71 | S | S | * | * | cis | -157.3 | 101.3 | 14.3 | -82.2 | -87.5 | 135.3 | 0 | 0 | 107.8 | ||||
| 809 | L | 25.5 | Very low | 29.1 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 87% | 0.874 | 69% | 0.693 | S | S | * | * | trans | -102.2 | 90.2 | 160 | -98.8 | 94.4 | 0 | 0 | 0 | 106.7 | S811 | L809-S811 PolarHBondContact O-N 2.99Š| ||
| 810 | G | 24.9 | Very low | 29.8 | Very low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | trans | -72 | 114.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | E812 | G810-E812 PolarHBondContact O-N 3.38Š| ||
| 811 | S | 27.7 | Very low | 30.5 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | 25.6 | 88.9 | 158.2 | 58.5 | 0 | 0 | 0 | 0 | 117.3 | L809 N813 | L809-S811 PolarHBondContact O-N 2.99Å; S811-N813 VanDerWaalsContact C-N 3.32Å; S811-N813 PolarHBondContact O-N 3.18Å | ||
| 812 | E | 31.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | trans | -66.2 | 89.5 | 162.3 | -71.6 | -169.7 | 175.2 | 0 | 0 | 110.3 | G810 R814 | G810-E812 PolarHBondContact O-N 3.38Å; E812-R814 VanDerWaalsContact C-N 3.29Å; E812-R814 HydrophobicContact CB-CG 4.44Å; E812-R814 PolarHBondContact O-N 3.18Å; E812-R814 IonicContact OE2-CZ 2.69Å; E812-R814 VanDerWaalsContact OE2-CZ 3.26Å; E812-R814 IonicContact OE2-NE 3.7Å; E812-R814 PolarHBondContact OE2-NE 3.36Å; E812-R814 IonicContact OE2-NH2 3.09Å; E812-R814 PolarHBondContact OE2-NH2 3.26Å | ||
| 813 | N | 33.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 65% | 0.647 | 66% | 0.662 | S | S | * | * | trans | -72.5 | 82 | 169.9 | -76.1 | -21.2 | 0 | 0 | 0 | 109.7 | S811 I815 | S811-N813 VanDerWaalsContact C-N 3.32Å; S811-N813 PolarHBondContact O-N 3.18Å; N813-I815 PolarHBondContact O-N 3.43Å | ||
| 814 | R | 34.9 | Very low | 33.8 | Very low | 162 Ų | 162 | 115.4 Ų | 115.4 | 61% | 0.611 | 64% | 0.639 | S | S | * | * | trans | -76 | 114.8 | 173.2 | -60.5 | -175.4 | -170.3 | -159.5 | 2 | 109.9 | E812 | E812-R814 VanDerWaalsContact C-N 3.29Å; E812-R814 HydrophobicContact CB-CG 4.44Å; E812-R814 PolarHBondContact O-N 3.18Å; E812-R814 IonicContact OE2-CZ 2.69Å; E812-R814 VanDerWaalsContact OE2-CZ 3.26Å; E812-R814 IonicContact OE2-NE 3.7Å; E812-R814 PolarHBondContact OE2-NE 3.36Å; E812-R814 IonicContact OE2-NH2 3.09Å; E812-R814 PolarHBondContact OE2-NH2 3.26Å | ||
| 815 | I | 36.5 | Very low | 35.7 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 56% | 0.559 | 61% | 0.614 | S | S | * | * | trans | -83.5 | 123.7 | 173 | -60 | 177.2 | 0 | 0 | 0 | 108.9 | L741 N813 V817 | L741-I815 HydrophobicContact CD1-CD1 3.68Å; N813-I815 PolarHBondContact O-N 3.43Å; I815-V817 HydrophobicContact CG2-CG2 3.92Å | ||
| 816 | L | 38.6 | Very low | 38 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | trans | -97.8 | 120.2 | 174.4 | -61.7 | 167.9 | 0 | 0 | 0 | 108.8 | L910 | L816-L910 HydrophobicContact CD1-CD2 3.85Å; L816-L910 HydrophobicContact CD2-CD2 4.15Å | ||
| 817 | V | 40.9 | Very low | 40.8 | Very low | 101 Ų | 101 | 103.5 Ų | 103.5 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | trans | -117.1 | 116.4 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 109 | I815 | I815-V817 HydrophobicContact CG2-CG2 3.92Š| ||
| 818 | S | 39.3 | Very low | 43.7 | Very low | 55 Ų | 55 | 97.6 Ų | 97.6 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | trans | -89.4 | 135.2 | 167.9 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | C820 | S818-C820 PolarHBondContact O-N 3.49Š| ||
| 819 | C | 37.6 | Very low | 46.7 | Very low | 72 Ų | 72 | 95.9 Ų | 95.9 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | trans | -77.1 | 101.7 | 175.4 | -153.2 | 0 | 0 | 0 | 0 | 108.6 | D821 | C819-D821 VanDerWaalsContact C-N 3.31Å; C819-D821 PolarHBondContact O-N 3.48Å | ||
| 820 | C | 37.9 | Very low | 49.5 | Very low | 76 Ų | 76 | 91.8 Ų | 91.8 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | trans | -77.9 | 80.1 | 175.5 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | S818 S824 | S818-C820 PolarHBondContact O-N 3.49Å; C820-S824 WeakPolarHBondContact CA-OG 3.5Å | ||
| 821 | D | 38.6 | Very low | 52.5 | Low | 110 Ų | 110 | 88.7 Ų | 88.7 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | trans | -71.8 | 146.5 | 148.2 | -76.2 | -25.9 | 0 | 0 | 0 | 107.3 | C819 S823 S824 | C819-D821 VanDerWaalsContact C-N 3.31Å; C819-D821 PolarHBondContact O-N 3.48Å; D821-S823 PolarHBondContact O-N 3.27Å; D821-S824 WeakPolarHBondContact O-CB 3.48Å; D821-S824 PolarHBondContact O-N 3.01Å; D821-S824 PolarHBondContact O-OG 3.47Å | ||
| 822 | E | 41.9 | Very low | 55.4 | Low | 169 Ų | 169 | 85.5 Ų | 85.5 | 79% | 0.79 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -4.6 | -175.9 | -71.5 | 176.3 | 178.2 | 0 | 0 | 114.7 | K678 | K678-E822 IonicContact NZ-OE1 3.57Å; K678-E822 PolarHBondContact NZ-OE1 3.14Å |
| 823 | S | 46.8 | Very low | 58.1 | Low | 110 Ų | 110 | 86.1 Ų | 86.1 | 77% | 0.769 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 4.7 | 176.1 | 53.4 | 0 | 0 | 0 | 0 | 116.1 | D821 R825 | D821-S823 PolarHBondContact O-N 3.27Å; S823-R825 PolarHBondContact O-N 2.92Å |
| 824 | S | 53.2 | Low | 60.5 | Low | 46 Ų | 46 | 83.1 Ų | 83.1 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | trans | -95.1 | 23.6 | -170.1 | 73.5 | 0 | 0 | 0 | 0 | 115.9 | C820 D821 I826 | C820-S824 WeakPolarHBondContact CA-OG 3.5Å; D821-S824 WeakPolarHBondContact O-CB 3.48Å; D821-S824 PolarHBondContact O-N 3.01Å; D821-S824 PolarHBondContact O-OG 3.47Å; S824-I826 PolarHBondContact O-N 3.17Å | ||
| 825 | R | 64.8 | Low | 63 | Low | 76 Ų | 76 | 75.4 Ų | 75.4 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 130 | 174.6 | -172.4 | 176.8 | 179.5 | -162.4 | -4.9 | 109.3 | S823 N827 D874 L887 D889 | S823-R825 PolarHBondContact O-N 2.92Å; R825-N827 PolarHBondContact O-N 3.42Å; R825-N827 VanDerWaalsContact O-N 3.14Å; R825-D874 IonicContact CZ-OD1 3.83Å; R825-D874 IonicContact CZ-OD2 3.3Å; R825-D874 IonicContact NE-OD2 2.7Å; R825-D874 IonicContact NH1-OD2 2.73Å; R825-D874 IonicContact NH2-OD1 3.82Å; R825-D874 PolarHBondContact NH2-OD1 2.98Å; R825-D874 IonicContact NH2-OD2 3.9Å; R825-D874 PolarHBondContact NH2-OD2 3.35Å; R825-L887 PolarHBondContact NH2-O 2.93Å; R825-D889 WeakPolarHBondContact CD-OD1 3.41Å; R825-D889 IonicContact CZ-OD1 3.41Å; R825-D889 IonicContact NE-OD1 2.65Å; R825-D889 IonicContact NH1-OD1 3.55Å |
| 826 | I | 74.1 | Confident | 65.4 | Low | 34 Ų | 34 | 73.4 Ų | 73.4 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 120.4 | 174.9 | -61.1 | 174.4 | 0 | 0 | 0 | 108.1 | S824 P828 L831 L887 I909 F912 | S824-I826 PolarHBondContact O-N 3.17Å; I826-P828 WeakPolarHBondContact O-CD 3.5Å; I826-L831 HydrophobicContact CG2-CB 3.97Å; I826-L831 HydrophobicContact CG2-CD2 4.13Å; I826-L887 HydrophobicContact CB-CD1 4.33Å; I826-L887 HydrophobicContact CB-CD2 4.4Å; I826-L887 HydrophobicContact CD1-CD2 4.44Å; I826-L887 HydrophobicContact CG2-CD1 4.29Å; I826-I909 HydrophobicContact CD1-CG2 4.23Å; I826-F912 HydrophobicContact CD1-CB 4.47Å; I826-F912 HydrophobicContact CG1-CB 4.31Å; I826-F912 HydrophobicContact CG2-CD2 4.41Å; I826-F912 HydrophobicContact CG2-CG 4.3Å |
| 827 | N | 81.6 | Confident | 67.7 | Low | 78 Ų | 78 | 73.5 Ų | 73.5 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68 | 119.5 | 177.1 | -176.6 | -39 | 0 | 0 | 0 | 109.3 | R825 H829 E830 L831 | R825-N827 PolarHBondContact O-N 3.42Å; R825-N827 VanDerWaalsContact O-N 3.14Å; N827-H829 VanDerWaalsContact C-N 3.29Å; N827-H829 PolarHBondContact O-N 3.06Å; N827-H829 WeakPolarHBondContact OD1-CB 3.19Å; N827-H829 PolarHBondContact OD1-N 2.94Å; N827-E830 HydrophobicContact CB-CB 3.94Å; N827-E830 PolarHBondContact O-N 2.71Å; N827-E830 VanDerWaalsContact O-N 3.17Å; N827-E830 PolarHBondContact OD1-N 2.76Å; N827-L831 PolarHBondContact O-N 3.37Å |
| 828 | P | 85 | Confident | 69.5 | Low | 13 Ų | 13 | 74.1 Ų | 74.1 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61 | -37.3 | -175.5 | 25.3 | -36.3 | 0 | 0 | 0 | 112.5 | I826 L831 I832 L845 D874 I876 L887 | I826-P828 WeakPolarHBondContact O-CD 3.5Å; P828-L831 PolarHBondContact O-N 3.09Å; P828-I832 WeakPolarHBondContact O-CD1 3.47Å; P828-I832 VanDerWaalsContact O-CG1 3.25Å; P828-I832 WeakPolarHBondContact O-CG1 3.42Å; P828-I832 PolarHBondContact O-N 3.41Å; P828-L845 HydrophobicContact CB-CD1 4.04Å; P828-L845 HydrophobicContact CB-CD2 4.49Å; P828-L845 HydrophobicContact CG-CD1 4.49Å; P828-L845 HydrophobicContact CG-CD2 4.26Å; P828-D874 HydrophobicContact CB-CB 4.38Å; P828-D874 HydrophobicContact CG-CB 4.43Å; P828-D874 WeakPolarHBondContact CG-OD2 3.25Å; P828-I876 HydrophobicContact CB-CD1 4.26Å; P828-I876 HydrophobicContact CB-CG1 4.46Å; P828-L887 HydrophobicContact CB-CD1 4.11Å |
| 829 | H | 86.9 | Confident | 71.5 | Confident | 127 Ų | 127 | 74.3 Ų | 74.3 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69 | -36.7 | 179.3 | -70.2 | -76.6 | 0 | 0 | 0 | 111.9 | N827 R833 | N827-H829 VanDerWaalsContact C-N 3.29Å; N827-H829 PolarHBondContact O-N 3.06Å; N827-H829 WeakPolarHBondContact OD1-CB 3.19Å; N827-H829 PolarHBondContact OD1-N 2.94Å; H829-R833 WeakPolarHBondContact O-CB 3.42Å; H829-R833 PolarHBondContact O-N 3.49Å |
| 830 | E | 84.6 | Confident | 73.6 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 38% | 0.379 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.2 | -40.3 | 177.2 | -163.6 | 173.4 | -174.8 | 0 | 0 | 111.7 | N827 R833 K834 F912 | N827-E830 HydrophobicContact CB-CB 3.94Å; N827-E830 PolarHBondContact O-N 2.71Å; N827-E830 VanDerWaalsContact O-N 3.17Å; N827-E830 PolarHBondContact OD1-N 2.76Å; E830-R833 PolarHBondContact O-N 2.99Å; E830-K834 WeakPolarHBondContact O-CG 3.44Å; E830-K834 PolarHBondContact O-N 2.95Å; E830-F912 HydrophobicContact CB-CE1 4.15Å; E830-F912 HydrophobicContact CB-CZ 4.27Å; E830-F912 HydrophobicContact CG-CE1 3.72Å; E830-F912 HydrophobicContact CG-CZ 3.91Å |
| 831 | L | 86.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 173.7 | 179.5 | 58.9 | 0 | 0 | 0 | 111.4 | I826 N827 P828 R833 K834 L835 I876 I885 L887 T908 I909 F912 | I826-L831 HydrophobicContact CG2-CB 3.97Å; I826-L831 HydrophobicContact CG2-CD2 4.13Å; N827-L831 PolarHBondContact O-N 3.37Å; P828-L831 PolarHBondContact O-N 3.09Å; L831-R833 VanDerWaalsContact C-N 3.33Å; L831-R833 PolarHBondContact O-N 3.17Å; L831-K834 PolarHBondContact O-N 2.99Å; L831-L835 HydrophobicContact CD1-CD1 4.18Å; L831-L835 HydrophobicContact CD1-CG 4.19Å; L831-L835 HydrophobicContact CG-CD1 3.99Å; L831-L835 HydrophobicContact CG-CG 4.45Å; L831-L835 WeakPolarHBondContact O-CB 3.44Å; L831-L835 VanDerWaalsContact O-CG 3.27Å; L831-L835 WeakPolarHBondContact O-CG 3.3Å; L831-L835 PolarHBondContact O-N 2.9Å; L831-I876 HydrophobicContact CD2-CD1 3.77Å; L831-I876 HydrophobicContact CG-CD1 4.32Å; L831-I885 HydrophobicContact CD2-CD1 4.31Å; L831-I885 HydrophobicContact CD2-CG2 4.39Å; L831-L887 HydrophobicContact CD2-CD1 4.16Å; L831-L887 HydrophobicContact CD2-CD2 4.29Å; L831-T908 HydrophobicContact CD1-CG2 3.85Å; L831-I909 HydrophobicContact CD1-CG1 4.07Å; L831-F912 HydrophobicContact CB-CE2 4.25Å; L831-F912 HydrophobicContact CB-CZ 4.43Å; L831-F912 HydrophobicContact CD1-CD2 4.11Å; L831-F912 HydrophobicContact CD1-CE2 3.67Å |
| 832 | I | 88.2 | Confident | 77.9 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.6 | -69.8 | 165.1 | 0 | 0 | 0 | 111.2 | P828 K834 L835 T836 A843 L845 I876 | P828-I832 WeakPolarHBondContact O-CD1 3.47Å; P828-I832 VanDerWaalsContact O-CG1 3.25Å; P828-I832 WeakPolarHBondContact O-CG1 3.42Å; P828-I832 PolarHBondContact O-N 3.41Å; I832-K834 PolarHBondContact O-N 3Å; I832-L835 PolarHBondContact O-N 3.43Å; I832-T836 WeakPolarHBondContact O-CB 3.44Å; I832-T836 PolarHBondContact O-N 3.42Å; I832-T836 PolarHBondContact O-OG1 2.97Å; I832-A843 HydrophobicContact CG1-CB 4.27Å; I832-A843 HydrophobicContact CG2-CB 4.32Å; I832-A843 WeakPolarHBondContact CG2-O 3.46Å; I832-L845 HydrophobicContact CD1-CB 4.37Å; I832-I876 HydrophobicContact CD1-CD1 4.44Å; I832-I876 HydrophobicContact CD1-CG1 4.3Å; I832-I876 HydrophobicContact CD1-CG2 4.16Å; I832-I876 HydrophobicContact CG1-CD1 4.14Å; I832-I876 HydrophobicContact CG1-CG1 4.44Å; I832-I876 HydrophobicContact CG1-CG2 3.96Å |
| 833 | R | 87.9 | Confident | 80 | Confident | 135 Ų | 135 | 61.9 Ų | 61.9 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 176.6 | -175.3 | -179.9 | 70.5 | 144.3 | -2.9 | 111.3 | H829 E830 L831 T836 E837 | H829-R833 WeakPolarHBondContact O-CB 3.42Å; H829-R833 PolarHBondContact O-N 3.49Å; E830-R833 PolarHBondContact O-N 2.99Å; L831-R833 VanDerWaalsContact C-N 3.33Å; L831-R833 PolarHBondContact O-N 3.17Å; R833-T836 WeakPolarHBondContact O-CB 3.5Å; R833-T836 PolarHBondContact O-N 3.03Å; R833-E837 IonicContact NE-OE1 3.88Å; R833-E837 WeakPolarHBondContact O-CG 3.43Å; R833-E837 PolarHBondContact O-N 3.3Å |
| 834 | K | 85.6 | Confident | 82.1 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68 | -36.5 | -179.2 | -73 | -76 | 165.6 | -156 | 0 | 113.1 | E830 L831 I832 T836 E837 R838 T908 L911 F912 | E830-K834 WeakPolarHBondContact O-CG 3.44Å; E830-K834 PolarHBondContact O-N 2.95Å; L831-K834 PolarHBondContact O-N 2.99Å; I832-K834 PolarHBondContact O-N 3Å; K834-T836 VanDerWaalsContact C-N 3.32Å; K834-E837 WeakPolarHBondContact CD-OE2 3.44Å; K834-E837 WeakPolarHBondContact CE-OE2 3.27Å; K834-E837 IonicContact NZ-OE1 3.78Å; K834-E837 IonicContact NZ-OE2 3.73Å; K834-E837 PolarHBondContact NZ-OE2 3.46Å; K834-E837 PolarHBondContact O-N 3.24Å; K834-R838 PolarHBondContact O-N 3.31Å; K834-T908 HydrophobicContact CB-CG2 3.55Å; K834-L911 HydrophobicContact CD-CD1 4.36Å; K834-F912 HydrophobicContact CB-CE2 4.23Å; K834-F912 HydrophobicContact CB-CZ 4.22Å; K834-F912 HydrophobicContact CG-CE2 4.22Å; K834-F912 HydrophobicContact CG-CZ 3.79Å |
| 835 | L | 86.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 172.1 | -75.1 | 171.4 | 0 | 0 | 0 | 111.2 | L831 I832 R838 G839 V840 F878 I885 I905 T908 | L831-L835 HydrophobicContact CD1-CD1 4.18Å; L831-L835 HydrophobicContact CD1-CG 4.19Å; L831-L835 HydrophobicContact CG-CD1 3.99Å; L831-L835 HydrophobicContact CG-CG 4.45Å; L831-L835 WeakPolarHBondContact O-CB 3.44Å; L831-L835 VanDerWaalsContact O-CG 3.27Å; L831-L835 WeakPolarHBondContact O-CG 3.3Å; L831-L835 PolarHBondContact O-N 2.9Å; I832-L835 PolarHBondContact O-N 3.43Å; L835-R838 CarbonylContact O-C 3.49Å; L835-R838 PolarHBondContact O-N 3.42Å; L835-R838 VanDerWaalsContact O-N 3.12Å; L835-G839 PolarHBondContact O-N 2.89Å; L835-V840 CarbonylContact C-O 3.48Å; L835-V840 HydrophobicContact CB-CB 4.19Å; L835-V840 HydrophobicContact CD2-CB 4.42Å; L835-V840 HydrophobicContact CD2-CG2 4.47Å; L835-V840 PolarHBondContact O-N 3.42Å; L835-F878 HydrophobicContact CD1-CE1 4.19Å; L835-F878 HydrophobicContact CD1-CZ 3.86Å; L835-I885 HydrophobicContact CD1-CD1 4.16Å; L835-I905 HydrophobicContact CD2-CB 4.45Å; L835-I905 HydrophobicContact CD2-CG1 3.92Å; L835-T908 HydrophobicContact CD2-CG2 4.02Å; L835-T908 HydrophobicContact CG-CG2 4.08Å |
| 836 | T | 87.3 | Confident | 84.7 | Confident | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 177 | -54 | 0 | 0 | 0 | 0 | 111.4 | I832 R833 K834 R838 G839 V840 T841 | I832-T836 WeakPolarHBondContact O-CB 3.44Å; I832-T836 PolarHBondContact O-N 3.42Å; I832-T836 PolarHBondContact O-OG1 2.97Å; R833-T836 WeakPolarHBondContact O-CB 3.5Å; R833-T836 PolarHBondContact O-N 3.03Å; K834-T836 VanDerWaalsContact C-N 3.32Å; T836-R838 PolarHBondContact O-N 2.99Å; T836-G839 PolarHBondContact O-N 2.9Å; T836-G839 VanDerWaalsContact O-N 3.08Å; T836-V840 WeakPolarHBondContact CA-O 3.41Å; T836-V840 PolarHBondContact N-O 3.25Å; T836-T841 HydrophobicContact CG2-CG2 4.48Å |
| 837 | E | 85.5 | Confident | 85.1 | Confident | 112 Ų | 112 | 62.2 Ų | 62.2 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -26.8 | 174.2 | -73.1 | 171.5 | -168.3 | 0 | 0 | 112.7 | R833 K834 | R833-E837 IonicContact NE-OE1 3.88Å; R833-E837 WeakPolarHBondContact O-CG 3.43Å; R833-E837 PolarHBondContact O-N 3.3Å; K834-E837 WeakPolarHBondContact CD-OE2 3.44Å; K834-E837 WeakPolarHBondContact CE-OE2 3.27Å; K834-E837 IonicContact NZ-OE1 3.78Å; K834-E837 IonicContact NZ-OE2 3.73Å; K834-E837 PolarHBondContact NZ-OE2 3.46Å; K834-E837 PolarHBondContact O-N 3.24Å |
| 838 | R | 78.7 | Confident | 84.8 | Confident | 114 Ų | 114 | 63 Ų | 63 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 12.8 | 176.8 | -71.1 | -156 | 172.4 | 140.9 | -12.3 | 114.7 | K834 L835 T836 D907 T908 L911 | K834-R838 PolarHBondContact O-N 3.31Å; L835-R838 CarbonylContact O-C 3.49Å; L835-R838 PolarHBondContact O-N 3.42Å; L835-R838 VanDerWaalsContact O-N 3.12Å; T836-R838 PolarHBondContact O-N 2.99Å; R838-D907 PolarHBondContact NH1-O 3.4Å; R838-T908 VanDerWaalsContact NH1-N 3.14Å; R838-T908 PolarHBondContact NH1-OG1 3.12Å; R838-L911 VanDerWaalsContact CZ-CD1 3.49Å; R838-L911 VanDerWaalsContact NH1-CD1 3.33Å |
| 839 | G | 81.3 | Confident | 84.3 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 0.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L835 T836 T841 | L835-G839 PolarHBondContact O-N 2.89Å; T836-G839 PolarHBondContact O-N 2.9Å; T836-G839 VanDerWaalsContact O-N 3.08Å; G839-T841 PolarHBondContact O-N 3.48Å |
| 840 | V | 82.5 | Confident | 83.9 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 11% | 0.109 | 34% | 0.339 | C | S | . | . | trans | -86.7 | 95.8 | 172.8 | -173 | 0 | 0 | 0 | 0 | 108.6 | L835 T836 F878 T901 A904 | L835-V840 CarbonylContact C-O 3.48Å; L835-V840 HydrophobicContact CB-CB 4.19Å; L835-V840 HydrophobicContact CD2-CB 4.42Å; L835-V840 HydrophobicContact CD2-CG2 4.47Å; L835-V840 PolarHBondContact O-N 3.42Å; T836-V840 WeakPolarHBondContact CA-O 3.41Å; T836-V840 PolarHBondContact N-O 3.25Å; V840-F878 HydrophobicContact CG1-CD1 3.86Å; V840-F878 HydrophobicContact CG1-CE1 3.49Å; V840-F878 VanDerWaalsContact CG1-CE1 3.49Å; V840-T901 HydrophobicContact CG1-CG2 4.38Å; V840-A904 HydrophobicContact CG2-CB 3.48Å; V840-A904 VanDerWaalsContact CG2-CB 3.48Å | ||
| 841 | T | 83.2 | Confident | 83.2 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | trans | -99.3 | 157.6 | -173.7 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | T836 G839 | T836-T841 HydrophobicContact CG2-CG2 4.48Å; G839-T841 PolarHBondContact O-N 3.48Å | ||
| 842 | G | 83.6 | Confident | 82.3 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | trans | 83.1 | 5.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P879 | G842-P879 VanDerWaalsContact O-CD 3.31Å; G842-P879 WeakPolarHBondContact O-CD 3.27Å | ||
| 843 | A | 86.5 | Confident | 81.5 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | trans | -67.3 | 132.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I832 I876 L877 F878 | I832-A843 HydrophobicContact CG1-CB 4.27Å; I832-A843 HydrophobicContact CG2-CB 4.32Å; I832-A843 WeakPolarHBondContact CG2-O 3.46Å; A843-I876 HydrophobicContact CB-CG2 3.99Å; A843-L877 CarbonylContact C-O 3.59Å; A843-L877 WeakPolarHBondContact CA-O 3.45Å; A843-F878 HydrophobicContact CB-CD1 3.76Å; A843-F878 HydrophobicContact CB-CE1 3.49Å; A843-F878 VanDerWaalsContact CB-CE1 3.49Å; A843-F878 HydrophobicContact CB-CG 4.43Å; A843-F878 HydrophobicContact CB-CZ 3.97Å | ||
| 844 | Y | 89.5 | Confident | 80.6 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 152.8 | 176.8 | 67.9 | -84.9 | 0 | 0 | 0 | 111.1 | I876 L877 | Y844-I876 WeakPolarHBondContact O-CA 3.27Å; Y844-L877 HydrophobicContact CD1-CB 4.47Å; Y844-L877 HydrophobicContact CE1-CB 3.89Å; Y844-L877 HydrophobicContact CE2-CB 4.14Å; Y844-L877 HydrophobicContact CE2-CD1 4.1Å; Y844-L877 PolarHBondContact N-O 2.87Å; Y844-L877 PolarHBondContact O-N 3.23Å |
| 845 | L | 89.6 | Confident | 79.5 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 122.6 | 174.9 | -175.4 | 64.7 | 0 | 0 | 0 | 109.1 | P828 I832 D874 I876 | P828-L845 HydrophobicContact CB-CD1 4.04Å; P828-L845 HydrophobicContact CB-CD2 4.49Å; P828-L845 HydrophobicContact CG-CD1 4.49Å; P828-L845 HydrophobicContact CG-CD2 4.26Å; I832-L845 HydrophobicContact CD1-CB 4.37Å; L845-D874 HydrophobicContact CD1-CB 3.86Å; L845-I876 HydrophobicContact CD1-CG1 4.39Å |
| 846 | A | 84.8 | Confident | 78.3 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 143 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T850 A851 V875 L877 | A846-T850 HydrophobicContact CB-CG2 4.37Å; A846-A851 HydrophobicContact CB-CB 4.35Å; A846-V875 HydrophobicContact CB-CB 4.29Å; A846-V875 WeakPolarHBondContact CB-O 3.44Å; A846-V875 PolarHBondContact N-O 2.65Å; A846-L877 HydrophobicContact CB-CD1 3.62Å; A846-L877 HydrophobicContact CB-CG 3.95Å |
| 847 | D | 82.8 | Confident | 77.1 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 156.4 | 166.8 | 66.3 | 40.8 | 0 | 0 | 0 | 110.9 | S849 T850 A851 | D847-S849 VanDerWaalsContact CG-OG 3.26Å; D847-S849 PolarHBondContact O-N 2.78Å; D847-S849 VanDerWaalsContact O-N 3.08Å; D847-S849 WeakPolarHBondContact OD1-CB 3.37Å; D847-S849 PolarHBondContact OD1-N 2.64Å; D847-S849 PolarHBondContact OD1-OG 2.9Å; D847-T850 VanDerWaalsContact CG-OG1 3.27Å; D847-T850 PolarHBondContact O-N 3.45Å; D847-T850 VanDerWaalsContact O-N 3.12Å; D847-T850 WeakPolarHBondContact OD1-CA 3.24Å; D847-T850 WeakPolarHBondContact OD1-CB 3.43Å; D847-T850 PolarHBondContact OD1-N 3.22Å; D847-T850 PolarHBondContact OD1-OG1 3.18Å; D847-T850 PolarHBondContact OD2-OG1 3.07Å; D847-A851 WeakPolarHBondContact O-CB 3.41Å; D847-A851 PolarHBondContact O-N 3.12Å |
| 848 | P | 74.3 | Confident | 75.7 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 61% | 0.61 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57.6 | -26.4 | -177.6 | -27.7 | 35.5 | 0 | 0 | 0 | 114.6 | R852 | P848-R852 WeakPolarHBondContact O-CG 3.45Å; P848-R852 PolarHBondContact O-N 3.19Å |
| 849 | S | 73.7 | Confident | 74.3 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 49% | 0.49 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71 | -47.6 | 175.4 | 25.6 | 0 | 0 | 0 | 0 | 112.3 | D847 R852 Q853 | D847-S849 VanDerWaalsContact CG-OG 3.26Å; D847-S849 PolarHBondContact O-N 2.78Å; D847-S849 VanDerWaalsContact O-N 3.08Å; D847-S849 WeakPolarHBondContact OD1-CB 3.37Å; D847-S849 PolarHBondContact OD1-N 2.64Å; D847-S849 PolarHBondContact OD1-OG 2.9Å; S849-R852 PolarHBondContact O-N 3.06Å; S849-Q853 PolarHBondContact O-N 3.48Å; S849-Q853 VanDerWaalsContact O-N 3.16Å |
| 850 | T | 78.7 | Confident | 72.6 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | -179.5 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | A846 D847 R852 Q853 V854 L877 | A846-T850 HydrophobicContact CB-CG2 4.37Å; D847-T850 VanDerWaalsContact CG-OG1 3.27Å; D847-T850 PolarHBondContact O-N 3.45Å; D847-T850 VanDerWaalsContact O-N 3.12Å; D847-T850 WeakPolarHBondContact OD1-CA 3.24Å; D847-T850 WeakPolarHBondContact OD1-CB 3.43Å; D847-T850 PolarHBondContact OD1-N 3.22Å; D847-T850 PolarHBondContact OD1-OG1 3.18Å; D847-T850 PolarHBondContact OD2-OG1 3.07Å; T850-R852 PolarHBondContact O-N 3.38Å; T850-Q853 PolarHBondContact O-N 3.4Å; T850-Q853 VanDerWaalsContact O-N 3.17Å; T850-V854 HydrophobicContact CG2-CG2 4.36Å; T850-V854 VanDerWaalsContact O-CG2 3.32Å; T850-V854 WeakPolarHBondContact O-CG2 3.36Å; T850-V854 PolarHBondContact O-N 3.17Å; T850-L877 HydrophobicContact CG2-CD1 3.83Å |
| 851 | A | 71.1 | Confident | 70.7 | Confident | 10 Ų | 10 | 81.4 Ų | 81.4 | 8% | 0.083 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -54.6 | -49.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A846 D847 Q853 V854 Y855 V875 | A846-A851 HydrophobicContact CB-CB 4.35Å; D847-A851 WeakPolarHBondContact O-CB 3.41Å; D847-A851 PolarHBondContact O-N 3.12Å; A851-Q853 VanDerWaalsContact C-N 3.33Å; A851-Q853 PolarHBondContact O-N 3.24Å; A851-V854 PolarHBondContact O-N 2.91Å; A851-Y855 WeakPolarHBondContact O-CB 3.25Å; A851-Y855 WeakPolarHBondContact O-CD2 3.43Å; A851-Y855 PolarHBondContact O-N 3.46Å; A851-V875 HydrophobicContact CB-CB 4.02Å; A851-V875 HydrophobicContact CB-CG2 3.74Å |
| 852 | R | 67.7 | Low | 68.7 | Low | 145 Ų | 145 | 82 Ų | 82 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 176.5 | -79.6 | -175.8 | -122.8 | 125.4 | 0.3 | 112.7 | P848 S849 T850 Y855 S856 I870 | P848-R852 WeakPolarHBondContact O-CG 3.45Å; P848-R852 PolarHBondContact O-N 3.19Å; S849-R852 PolarHBondContact O-N 3.06Å; T850-R852 PolarHBondContact O-N 3.38Å; R852-Y855 PolarHBondContact O-N 2.75Å; R852-S856 PolarHBondContact O-N 3.07Å; R852-I870 HydrophobicContact CG-CD1 4.2Å |
| 853 | Q | 70.2 | Confident | 66.3 | Low | 121 Ų | 121 | 86.3 Ų | 86.3 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | -179.8 | -164.8 | 173.9 | 15.5 | 0 | 0 | 111.8 | S849 T850 A851 S856 | S849-Q853 PolarHBondContact O-N 3.48Å; S849-Q853 VanDerWaalsContact O-N 3.16Å; T850-Q853 PolarHBondContact O-N 3.4Å; T850-Q853 VanDerWaalsContact O-N 3.17Å; A851-Q853 VanDerWaalsContact C-N 3.33Å; A851-Q853 PolarHBondContact O-N 3.24Å; Q853-S856 PolarHBondContact O-N 3.43Å; Q853-S856 PolarHBondContact O-OG 3.18Å |
| 854 | V | 68.3 | Low | 63.9 | Low | 23 Ų | 23 | 92.8 Ų | 92.8 | 14% | 0.139 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 175.8 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | T850 A851 S856 R857 F858 L877 L884 | T850-V854 HydrophobicContact CG2-CG2 4.36Å; T850-V854 VanDerWaalsContact O-CG2 3.32Å; T850-V854 WeakPolarHBondContact O-CG2 3.36Å; T850-V854 PolarHBondContact O-N 3.17Å; A851-V854 PolarHBondContact O-N 2.91Å; V854-S856 VanDerWaalsContact C-N 3.29Å; V854-S856 PolarHBondContact O-N 3.49Å; V854-R857 WeakPolarHBondContact O-CB 3.26Å; V854-R857 PolarHBondContact O-N 2.74Å; V854-F858 HydrophobicContact CG1-CD2 3.94Å; V854-F858 HydrophobicContact CG1-CE2 3.62Å; V854-F858 VanDerWaalsContact O-CD2 3.24Å; V854-F858 WeakPolarHBondContact O-CD2 3.49Å; V854-L877 HydrophobicContact CB-CD2 4.49Å; V854-L877 HydrophobicContact CG1-CD2 4Å; V854-L877 HydrophobicContact CG2-CD1 4.07Å; V854-L877 HydrophobicContact CG2-CD2 4.17Å; V854-L884 HydrophobicContact CG1-CD2 4.07Å |
| 855 | Y | 63.7 | Low | 61.4 | Low | 51 Ų | 51 | 94 Ų | 94 | 20% | 0.2 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -58.8 | -37 | 176.6 | -98.8 | -70.1 | 0 | 0 | 0 | 113.9 | A851 R852 R857 F858 S859 V875 C886 | A851-Y855 WeakPolarHBondContact O-CB 3.25Å; A851-Y855 WeakPolarHBondContact O-CD2 3.43Å; A851-Y855 PolarHBondContact O-N 3.46Å; R852-Y855 PolarHBondContact O-N 2.75Å; Y855-R857 PolarHBondContact O-N 2.85Å; Y855-F858 PolarHBondContact O-N 2.79Å; Y855-F858 VanDerWaalsContact O-N 3.09Å; Y855-S859 PolarHBondContact O-N 3.34Å; Y855-S859 PolarHBondContact O-OG 2.78Å; Y855-V875 HydrophobicContact CD2-CG2 4.14Å; Y855-V875 HydrophobicContact CE2-CG2 3.51Å; Y855-C886 WeakPolarHBondContact OH-CB 3.47Å; Y855-C886 PolarHBondContact OH-SG 3.29Å |
| 856 | S | 61.9 | Low | 58.6 | Low | 82 Ų | 82 | 100.5 Ų | 100.5 | 57% | 0.573 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -26.7 | 175.6 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | R852 Q853 V854 | R852-S856 PolarHBondContact O-N 3.07Å; Q853-S856 PolarHBondContact O-N 3.43Å; Q853-S856 PolarHBondContact O-OG 3.18Å; V854-S856 VanDerWaalsContact C-N 3.29Å; V854-S856 PolarHBondContact O-N 3.49Å |
| 857 | R | 61.2 | Low | 56.1 | Low | 182 Ų | 182 | 106 Ų | 106 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -79 | -26.9 | 177.1 | -63.7 | -178.7 | 175.7 | 164.5 | -0.3 | 113.5 | V854 Y855 | V854-R857 WeakPolarHBondContact O-CB 3.26Å; V854-R857 PolarHBondContact O-N 2.74Å; Y855-R857 PolarHBondContact O-N 2.85Å |
| 858 | F | 56.9 | Low | 53.9 | Low | 60 Ų | 60 | 105.2 Ų | 105.2 | 26% | 0.263 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -101.4 | 2.1 | -176.5 | -65.4 | -73.4 | 0 | 0 | 0 | 114.1 | V854 Y855 V860 Y861 L884 I895 | V854-F858 HydrophobicContact CG1-CD2 3.94Å; V854-F858 HydrophobicContact CG1-CE2 3.62Å; V854-F858 VanDerWaalsContact O-CD2 3.24Å; V854-F858 WeakPolarHBondContact O-CD2 3.49Å; Y855-F858 PolarHBondContact O-N 2.79Å; Y855-F858 VanDerWaalsContact O-N 3.09Å; F858-V860 PolarHBondContact O-N 2.96Å; F858-Y861 PolarHBondContact O-N 2.86Å; F858-L884 HydrophobicContact CD2-CD2 3.61Å; F858-L884 HydrophobicContact CE1-CD2 4.49Å; F858-L884 HydrophobicContact CE2-CD2 3.24Å; F858-L884 HydrophobicContact CG-CD2 4.39Å; F858-L884 HydrophobicContact CZ-CD2 3.74Å; F858-I895 HydrophobicContact CD1-CD1 4Å; F858-I895 HydrophobicContact CE1-CD1 4.41Å; F858-I895 HydrophobicContact CG-CD1 4.18Å |
| 859 | S | 49.7 | Very low | 52.3 | Low | 81 Ų | 81 | 105.2 Ų | 105.2 | 57% | 0.566 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -60.4 | -3.9 | -179.2 | -63.8 | 0 | 0 | 0 | 0 | 114.5 | Y855 Y861 | Y855-S859 PolarHBondContact O-N 3.34Å; Y855-S859 PolarHBondContact O-OG 2.78Å; S859-Y861 VanDerWaalsContact C-N 3.29Å; S859-Y861 PolarHBondContact O-N 3.35Å |
| 860 | V | 45.4 | Very low | 51.1 | Low | 121 Ų | 121 | 106.3 Ų | 106.3 | 73% | 0.733 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -72.4 | -17.3 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 112.9 | F858 | F858-V860 PolarHBondContact O-N 2.96Š|
| 861 | Y | 42.2 | Very low | 49.8 | Very low | 205 Ų | 205 | 111.9 Ų | 111.9 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -108.8 | 3.8 | -174.3 | -73.6 | -80.2 | 0 | 0 | 0 | 115.9 | F858 S859 | F858-Y861 PolarHBondContact O-N 2.86Å; S859-Y861 VanDerWaalsContact C-N 3.29Å; S859-Y861 PolarHBondContact O-N 3.35Å |
| 862 | N | 40.8 | Very low | 49.2 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 58% | 0.583 | 61% | 0.609 | S | S | * | * | trans | -123.7 | 80.3 | -174.5 | -131.8 | -9.4 | 0 | 0 | 0 | 111.6 | N864 | N862-N864 PolarHBondContact O-N 3.45Š| ||
| 863 | T | 34 | Very low | 49.3 | Very low | 131 Ų | 131 | 111.8 Ų | 111.8 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 3.2 | -178.5 | 38.8 | 0 | 0 | 0 | 0 | 115 | ||
| 864 | N | 35.8 | Very low | 49.8 | Very low | 148 Ų | 148 | 107.9 Ų | 107.9 | 79% | 0.791 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 19.4 | -168.9 | -79.8 | -21.1 | 0 | 0 | 0 | 117 | N862 | N862-N864 PolarHBondContact O-N 3.45Š|
| 865 | K | 36.7 | Very low | 50.6 | Low | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | trans | -125.3 | 90.3 | 168.5 | -86.9 | -175.4 | 174.5 | -178.4 | 0 | 111.3 | S867 | K865-S867 PolarHBondContact O-N 3.32Š| ||
| 866 | Q | 30.4 | Very low | 51.7 | Low | 193 Ų | 193 | 104.5 Ų | 104.5 | 90% | 0.902 | 56% | 0.562 | S | S | * | * | trans | -65.8 | 124.2 | 158.7 | -72.9 | -178.7 | -7.6 | 0 | 0 | 108.6 | G868 | Q866-G868 PolarHBondContact O-N 3.46Š| ||
| 867 | S | 31.9 | Very low | 52.8 | Low | 129 Ų | 129 | 101.3 Ų | 101.3 | 90% | 0.902 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 43.5 | 68.2 | 148.8 | -177.5 | 0 | 0 | 0 | 0 | 116.5 | K865 | K865-S867 PolarHBondContact O-N 3.32Š|
| 868 | G | 36.5 | Very low | 54 | Low | 64 Ų | 64 | 93.3 Ų | 93.3 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | trans | -127.5 | 134.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q866 I870 | Q866-G868 PolarHBondContact O-N 3.46Å; G868-I870 PolarHBondContact O-N 3.42Å | ||
| 869 | S | 41.1 | Very low | 55.3 | Low | 93 Ų | 93 | 95 Ų | 95 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | trans | -51.4 | 122.5 | -176.8 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | Q871 | S869-Q871 PolarHBondContact O-N 2.87Š| ||
| 870 | I | 49.9 | Very low | 56.6 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | trans | -71.3 | 72.1 | 167 | -53.4 | 167.5 | 0 | 0 | 0 | 107.7 | R852 G868 E873 | R852-I870 HydrophobicContact CG-CD1 4.2Å; G868-I870 PolarHBondContact O-N 3.42Å; I870-E873 HydrophobicContact CG2-CB 4.37Å | ||
| 871 | Q | 49.9 | Very low | 57.9 | Low | 159 Ų | 159 | 93.3 Ų | 93.3 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | trans | -121 | 117.3 | 170.4 | -71 | -179 | -4.5 | 0 | 0 | 104.7 | S869 | S869-Q871 PolarHBondContact O-N 2.87Š| ||
| 872 | N | 58.9 | Low | 59.5 | Low | 101 Ų | 101 | 87.5 Ų | 87.5 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | S | Bend | trans | 84.7 | 46.3 | -173.2 | -61.9 | -5.3 | 0 | 0 | 0 | 118.5 | D889 | N872-D889 PolarHBondContact ND2-OD2 2.88Š|
| 873 | E | 69.4 | Low | 61.5 | Low | 52 Ų | 52 | 82.5 Ų | 82.5 | 24% | 0.243 | 47% | 0.468 | C | S | . | . | trans | -120 | 123.6 | 165.5 | -67.5 | -176.7 | 176.2 | 0 | 0 | 110.2 | I870 H888 | I870-E873 HydrophobicContact CG2-CB 4.37Å; E873-H888 IonicContact OE1-CD2 3.35Å; E873-H888 IonicContact OE1-NE2 2.79Å | ||
| 874 | D | 81.8 | Confident | 64 | Low | 40 Ų | 40 | 76.6 Ų | 76.6 | 21% | 0.214 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 120.6 | 174.4 | -70.9 | -11.5 | 0 | 0 | 0 | 108.6 | R825 P828 L845 C886 L887 | R825-D874 IonicContact CZ-OD1 3.83Å; R825-D874 IonicContact CZ-OD2 3.3Å; R825-D874 IonicContact NE-OD2 2.7Å; R825-D874 IonicContact NH1-OD2 2.73Å; R825-D874 IonicContact NH2-OD1 3.82Å; R825-D874 PolarHBondContact NH2-OD1 2.98Å; R825-D874 IonicContact NH2-OD2 3.9Å; R825-D874 PolarHBondContact NH2-OD2 3.35Å; P828-D874 HydrophobicContact CB-CB 4.38Å; P828-D874 HydrophobicContact CG-CB 4.43Å; P828-D874 WeakPolarHBondContact CG-OD2 3.25Å; L845-D874 HydrophobicContact CD1-CB 3.86Å; D874-C886 WeakPolarHBondContact O-CA 3.46Å; D874-L887 HydrophobicContact CB-CB 4.31Å; D874-L887 PolarHBondContact N-O 2.83Å; D874-L887 VanDerWaalsContact N-O 3.07Å; D874-L887 PolarHBondContact O-N 3.31Å |
| 875 | V | 84.5 | Confident | 66.3 | Low | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 116.8 | -178.2 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | A846 A851 Y855 L877 I885 | A846-V875 HydrophobicContact CB-CB 4.29Å; A846-V875 WeakPolarHBondContact CB-O 3.44Å; A846-V875 PolarHBondContact N-O 2.65Å; A851-V875 HydrophobicContact CB-CB 4.02Å; A851-V875 HydrophobicContact CB-CG2 3.74Å; Y855-V875 HydrophobicContact CD2-CG2 4.14Å; Y855-V875 HydrophobicContact CE2-CG2 3.51Å; V875-L877 HydrophobicContact CG1-CD2 3.93Å; V875-L877 HydrophobicContact CG1-CG 4.33Å; V875-I885 CarbonylContact C-O 3.58Å; V875-I885 WeakPolarHBondContact CA-O 3.48Å |
| 876 | I | 87.1 | Confident | 68.5 | Low | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122 | 174.2 | -55.5 | 169.4 | 0 | 0 | 0 | 108.4 | P828 L831 I832 A843 Y844 L845 F878 L884 I885 L887 | P828-I876 HydrophobicContact CB-CD1 4.26Å; P828-I876 HydrophobicContact CB-CG1 4.46Å; L831-I876 HydrophobicContact CD2-CD1 3.77Å; L831-I876 HydrophobicContact CG-CD1 4.32Å; I832-I876 HydrophobicContact CD1-CD1 4.44Å; I832-I876 HydrophobicContact CD1-CG1 4.3Å; I832-I876 HydrophobicContact CD1-CG2 4.16Å; I832-I876 HydrophobicContact CG1-CD1 4.14Å; I832-I876 HydrophobicContact CG1-CG1 4.44Å; I832-I876 HydrophobicContact CG1-CG2 3.96Å; A843-I876 HydrophobicContact CB-CG2 3.99Å; Y844-I876 WeakPolarHBondContact O-CA 3.27Å; L845-I876 HydrophobicContact CD1-CG1 4.39Å; I876-F878 HydrophobicContact CG2-CE2 3.97Å; I876-F878 HydrophobicContact CG2-CZ 4.22Å; I876-L884 WeakPolarHBondContact O-CA 3.44Å; I876-I885 HydrophobicContact CB-CB 4.21Å; I876-I885 PolarHBondContact N-O 3.31Å; I876-I885 PolarHBondContact O-N 3.08Å; I876-L887 HydrophobicContact CD1-CD1 4.04Å |
| 877 | L | 85.5 | Confident | 70.9 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.8 | 177.6 | -61.4 | 176.5 | 0 | 0 | 0 | 110 | A843 Y844 A846 T850 V854 V875 L884 | A843-L877 CarbonylContact C-O 3.59Å; A843-L877 WeakPolarHBondContact CA-O 3.45Å; Y844-L877 HydrophobicContact CD1-CB 4.47Å; Y844-L877 HydrophobicContact CE1-CB 3.89Å; Y844-L877 HydrophobicContact CE2-CB 4.14Å; Y844-L877 HydrophobicContact CE2-CD1 4.1Å; Y844-L877 PolarHBondContact N-O 2.87Å; Y844-L877 PolarHBondContact O-N 3.23Å; A846-L877 HydrophobicContact CB-CD1 3.62Å; A846-L877 HydrophobicContact CB-CG 3.95Å; T850-L877 HydrophobicContact CG2-CD1 3.83Å; V854-L877 HydrophobicContact CB-CD2 4.49Å; V854-L877 HydrophobicContact CG1-CD2 4Å; V854-L877 HydrophobicContact CG2-CD1 4.07Å; V854-L877 HydrophobicContact CG2-CD2 4.17Å; V875-L877 HydrophobicContact CG1-CD2 3.93Å; V875-L877 HydrophobicContact CG1-CG 4.33Å; L877-L884 HydrophobicContact CD2-CB 4.15Å |
| 878 | F | 86.6 | Confident | 72.9 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | trans | -110.1 | 161.8 | 176.4 | -66.1 | -100.5 | 0 | 0 | 0 | 109.7 | L835 V840 A843 I876 N880 T883 I885 I905 | L835-F878 HydrophobicContact CD1-CE1 4.19Å; L835-F878 HydrophobicContact CD1-CZ 3.86Å; V840-F878 HydrophobicContact CG1-CD1 3.86Å; V840-F878 HydrophobicContact CG1-CE1 3.49Å; V840-F878 VanDerWaalsContact CG1-CE1 3.49Å; A843-F878 HydrophobicContact CB-CD1 3.76Å; A843-F878 HydrophobicContact CB-CE1 3.49Å; A843-F878 VanDerWaalsContact CB-CE1 3.49Å; A843-F878 HydrophobicContact CB-CG 4.43Å; A843-F878 HydrophobicContact CB-CZ 3.97Å; I876-F878 HydrophobicContact CG2-CE2 3.97Å; I876-F878 HydrophobicContact CG2-CZ 4.22Å; F878-N880 PolarHBondContact O-N 3.43Å; F878-T883 HydrophobicContact CB-CG2 4.45Å; F878-T883 HydrophobicContact CD2-CG2 3.61Å; F878-T883 WeakPolarHBondContact CD2-O 3.02Å; F878-T883 HydrophobicContact CE2-CG2 3.94Å; F878-T883 HydrophobicContact CG-CG2 3.94Å; F878-I885 HydrophobicContact CE2-CD1 3.76Å; F878-I885 HydrophobicContact CE2-CG1 3.9Å; F878-I885 HydrophobicContact CZ-CD1 3.66Å; F878-I885 HydrophobicContact CZ-CG1 4.31Å; F878-I905 HydrophobicContact CZ-CD1 4.16Å | ||
| 879 | P | 82.9 | Confident | 74.2 | Confident | 96 Ų | 96 | 49.8 Ų | 49.8 | 62% | 0.623 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -60.2 | -26.1 | 174.5 | -21.6 | 34.6 | 0 | 0 | 0 | 112 | G842 P881 | G842-P879 VanDerWaalsContact O-CD 3.31Å; G842-P879 WeakPolarHBondContact O-CD 3.27Å; P879-P881 WeakPolarHBondContact O-CD 3.38Å |
| 880 | N | 78.3 | Confident | 75.2 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 34% | 0.342 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -80 | 115.8 | 169.3 | -174 | -12.1 | 0 | 0 | 0 | 109.8 | F878 N882 T883 | F878-N880 PolarHBondContact O-N 3.43Å; N880-N882 PolarHBondContact O-N 2.93Å; N880-N882 WeakPolarHBondContact OD1-CB 3.49Å; N880-N882 PolarHBondContact OD1-N 3.29Å; N880-T883 PolarHBondContact O-N 3.01Å; N880-T883 VanDerWaalsContact O-N 3.12Å |
| 881 | P | 71.8 | Confident | 75.8 | Confident | 101 Ų | 101 | 50 Ų | 50 | 66% | 0.656 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.8 | -178.1 | 27.7 | -36 | 0 | 0 | 0 | 113.8 | P879 | P879-P881 WeakPolarHBondContact O-CD 3.38Š|
| 882 | N | 76.6 | Confident | 76.9 | Confident | 84 Ų | 84 | 44.9 Ų | 44.9 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.5 | 179.1 | -60.4 | -35.5 | 0 | 0 | 0 | 113.6 | N880 C896 M897 | N880-N882 PolarHBondContact O-N 2.93Å; N880-N882 WeakPolarHBondContact OD1-CB 3.49Å; N880-N882 PolarHBondContact OD1-N 3.29Å; N882-C896 WeakPolarHBondContact O-CA 3.4Å; N882-M897 HydrophobicContact CB-CB 4.11Å; N882-M897 HydrophobicContact CB-CG 3.91Å |
| 883 | T | 82.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | trans | -124.3 | 122.8 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | F878 N880 I895 C896 T901 I905 | F878-T883 HydrophobicContact CB-CG2 4.45Å; F878-T883 HydrophobicContact CD2-CG2 3.61Å; F878-T883 WeakPolarHBondContact CD2-O 3.02Å; F878-T883 HydrophobicContact CE2-CG2 3.94Å; F878-T883 HydrophobicContact CG-CG2 3.94Å; N880-T883 PolarHBondContact O-N 3.01Å; N880-T883 VanDerWaalsContact O-N 3.12Å; T883-I895 CarbonylContact C-O 3.6Å; T883-I895 WeakPolarHBondContact CA-O 3.34Å; T883-C896 HydrophobicContact CG2-CB 4Å; T883-C896 PolarHBondContact OG1-SG 3.24Å; T883-T901 HydrophobicContact CG2-CG2 4.11Å; T883-I905 HydrophobicContact CG2-CD1 3.74Å | ||
| 884 | L | 85.6 | Confident | 78.3 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 151.3 | 172 | 71.1 | 89.7 | 0 | 0 | 0 | 111.3 | V854 F858 I876 L877 I894 I895 | V854-L884 HydrophobicContact CG1-CD2 4.07Å; F858-L884 HydrophobicContact CD2-CD2 3.61Å; F858-L884 HydrophobicContact CE1-CD2 4.49Å; F858-L884 HydrophobicContact CE2-CD2 3.24Å; F858-L884 HydrophobicContact CG-CD2 4.39Å; F858-L884 HydrophobicContact CZ-CD2 3.74Å; I876-L884 WeakPolarHBondContact O-CA 3.44Å; L877-L884 HydrophobicContact CD2-CB 4.15Å; L884-I894 WeakPolarHBondContact O-CA 3.28Å; L884-I895 HydrophobicContact CD1-CB 4.5Å; L884-I895 HydrophobicContact CD1-CD1 4.13Å; L884-I895 HydrophobicContact CD1-CG1 4.29Å; L884-I895 HydrophobicContact CD2-CD1 4.04Å; L884-I895 HydrophobicContact CG-CB 4.04Å; L884-I895 HydrophobicContact CG-CD1 4.16Å; L884-I895 HydrophobicContact CG-CG1 4.3Å; L884-I895 PolarHBondContact N-O 3.49Å; L884-I895 PolarHBondContact O-N 2.81Å |
| 885 | I | 85.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.4 | 173.3 | -57.9 | 167 | 0 | 0 | 0 | 107.7 | L831 L835 V875 I876 F878 L887 H893 I894 I905 | L831-I885 HydrophobicContact CD2-CD1 4.31Å; L831-I885 HydrophobicContact CD2-CG2 4.39Å; L835-I885 HydrophobicContact CD1-CD1 4.16Å; V875-I885 CarbonylContact C-O 3.58Å; V875-I885 WeakPolarHBondContact CA-O 3.48Å; I876-I885 HydrophobicContact CB-CB 4.21Å; I876-I885 PolarHBondContact N-O 3.31Å; I876-I885 PolarHBondContact O-N 3.08Å; F878-I885 HydrophobicContact CE2-CD1 3.76Å; F878-I885 HydrophobicContact CE2-CG1 3.9Å; F878-I885 HydrophobicContact CZ-CD1 3.66Å; F878-I885 HydrophobicContact CZ-CG1 4.31Å; I885-L887 HydrophobicContact CG2-CD2 3.75Å; I885-L887 HydrophobicContact CG2-CG 4.14Å; I885-H893 CarbonylContact C-O 3.6Å; I885-H893 WeakPolarHBondContact CA-O 3.31Å; I885-I894 HydrophobicContact CG1-CG1 4.28Å; I885-I894 HydrophobicContact CG1-CG2 4.14Å; I885-I894 HydrophobicContact CG2-CG1 4.27Å; I885-I905 HydrophobicContact CD1-CD1 4.19Å; I885-I905 HydrophobicContact CD1-CG1 4.31Å; I885-I905 HydrophobicContact CD1-CG2 3.88Å; I885-I905 HydrophobicContact CG1-CG2 4.44Å |
| 886 | C | 82.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.4 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | Y855 D874 H888 S892 H893 | Y855-C886 WeakPolarHBondContact OH-CB 3.47Å; Y855-C886 PolarHBondContact OH-SG 3.29Å; D874-C886 WeakPolarHBondContact O-CA 3.46Å; C886-H888 PolarHBondContact O-ND1 2.78Å; C886-H888 PolarHBondContact SG-CE1 2.77Å; C886-S892 CarbonylContact O-C 3.43Å; C886-S892 VanDerWaalsContact O-CA 3.26Å; C886-S892 WeakPolarHBondContact O-CA 3.18Å; C886-H893 HydrophobicContact CB-CB 4.46Å; C886-H893 PolarHBondContact N-O 2.88Å; C886-H893 PolarHBondContact O-N 2.81Å |
| 887 | L | 80.9 | Confident | 77.6 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.7 | 175.2 | -55.5 | 175.6 | 0 | 0 | 0 | 109.5 | R825 I826 P828 L831 D874 I876 I885 | R825-L887 PolarHBondContact NH2-O 2.93Å; I826-L887 HydrophobicContact CB-CD1 4.33Å; I826-L887 HydrophobicContact CB-CD2 4.4Å; I826-L887 HydrophobicContact CD1-CD2 4.44Å; I826-L887 HydrophobicContact CG2-CD1 4.29Å; P828-L887 HydrophobicContact CB-CD1 4.11Å; L831-L887 HydrophobicContact CD2-CD1 4.16Å; L831-L887 HydrophobicContact CD2-CD2 4.29Å; D874-L887 HydrophobicContact CB-CB 4.31Å; D874-L887 PolarHBondContact N-O 2.83Å; D874-L887 VanDerWaalsContact N-O 3.07Å; D874-L887 PolarHBondContact O-N 3.31Å; I876-L887 HydrophobicContact CD1-CD1 4.04Å; I885-L887 HydrophobicContact CG2-CD2 3.75Å; I885-L887 HydrophobicContact CG2-CG 4.14Å |
| 888 | H | 73.2 | Confident | 77.3 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 163.7 | 174.8 | -49.4 | 58.4 | 0 | 0 | 0 | 108.3 | E873 C886 H890 G891 | E873-H888 IonicContact OE1-CD2 3.35Å; E873-H888 IonicContact OE1-NE2 2.79Å; C886-H888 PolarHBondContact O-ND1 2.78Å; C886-H888 PolarHBondContact SG-CE1 2.77Å; H888-H890 PolarHBondContact O-N 2.92Å; H888-H890 VanDerWaalsContact O-N 3.09Å; H888-G891 WeakPolarHBondContact CA-O 3.34Å; H888-G891 WeakPolarHBondContact CB-O 3.41Å; H888-G891 PolarHBondContact N-O 2.86Å; H888-G891 PolarHBondContact ND1-O 2.91Å; H888-G891 PolarHBondContact O-N 2.98Å |
| 889 | D | 64.9 | Low | 76.8 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 35% | 0.353 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.4 | 178.2 | -68.5 | -22.6 | 0 | 0 | 0 | 113 | R825 N872 | R825-D889 WeakPolarHBondContact CD-OD1 3.41Å; R825-D889 IonicContact CZ-OD1 3.41Å; R825-D889 IonicContact NE-OD1 2.65Å; R825-D889 IonicContact NH1-OD1 3.55Å; N872-D889 PolarHBondContact ND2-OD2 2.88Å |
| 890 | H | 60.4 | Low | 76.6 | Confident | 151 Ų | 151 | 60 Ų | 60 | 70% | 0.699 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 23.3 | -178.3 | -54.8 | -43.5 | 0 | 0 | 0 | 114.1 | H888 | H888-H890 PolarHBondContact O-N 2.92Å; H888-H890 VanDerWaalsContact O-N 3.09Å |
| 891 | G | 62.8 | Low | 76.8 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | 165 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H888 | H888-G891 WeakPolarHBondContact CA-O 3.34Å; H888-G891 WeakPolarHBondContact CB-O 3.41Å; H888-G891 PolarHBondContact N-O 2.86Å; H888-G891 PolarHBondContact ND1-O 2.91Å; H888-G891 PolarHBondContact O-N 2.98Å |
| 892 | S | 73.2 | Confident | 77.3 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.2 | 172.1 | 59.2 | 0 | 0 | 0 | 0 | 109.5 | C886 | C886-S892 CarbonylContact O-C 3.43Å; C886-S892 VanDerWaalsContact O-CA 3.26Å; C886-S892 WeakPolarHBondContact O-CA 3.18Å |
| 893 | H | 76.8 | Confident | 77.5 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 44% | 0.44 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.8 | 173.7 | -173.4 | -108 | 0 | 0 | 0 | 109.1 | I885 C886 | I885-H893 CarbonylContact C-O 3.6Å; I885-H893 WeakPolarHBondContact CA-O 3.31Å; C886-H893 HydrophobicContact CB-CB 4.46Å; C886-H893 PolarHBondContact N-O 2.88Å; C886-H893 PolarHBondContact O-N 2.81Å |
| 894 | I | 81.8 | Confident | 77.6 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128 | -173.3 | -52.8 | 159.9 | 0 | 0 | 0 | 107.9 | L884 I885 C896 I905 I909 | L884-I894 WeakPolarHBondContact O-CA 3.28Å; I885-I894 HydrophobicContact CG1-CG1 4.28Å; I885-I894 HydrophobicContact CG1-CG2 4.14Å; I885-I894 HydrophobicContact CG2-CG1 4.27Å; I894-C896 HydrophobicContact CG2-CB 4.48Å; I894-I905 HydrophobicContact CD1-CG2 3.95Å; I894-I905 HydrophobicContact CG2-CD1 4.47Å; I894-I905 HydrophobicContact CG2-CG2 4.16Å; I894-I909 HydrophobicContact CD1-CD1 3.31Å; I894-I909 HydrophobicContact CG1-CD1 4.16Å |
| 895 | I | 80 | Confident | 77.6 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125 | 168.7 | -56.2 | 174 | 0 | 0 | 0 | 105.5 | F858 T883 L884 | F858-I895 HydrophobicContact CD1-CD1 4Å; F858-I895 HydrophobicContact CE1-CD1 4.41Å; F858-I895 HydrophobicContact CG-CD1 4.18Å; T883-I895 CarbonylContact C-O 3.6Å; T883-I895 WeakPolarHBondContact CA-O 3.34Å; L884-I895 HydrophobicContact CD1-CB 4.5Å; L884-I895 HydrophobicContact CD1-CD1 4.13Å; L884-I895 HydrophobicContact CD1-CG1 4.29Å; L884-I895 HydrophobicContact CD2-CD1 4.04Å; L884-I895 HydrophobicContact CG-CB 4.04Å; L884-I895 HydrophobicContact CG-CD1 4.16Å; L884-I895 HydrophobicContact CG-CG1 4.3Å; L884-I895 PolarHBondContact N-O 3.49Å; L884-I895 PolarHBondContact O-N 2.81Å |
| 896 | C | 80.8 | Confident | 77.4 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -152.9 | 131.9 | 176.9 | -173 | 0 | 0 | 0 | 0 | 108.6 | N882 T883 I894 D898 R902 | N882-C896 WeakPolarHBondContact O-CA 3.4Å; T883-C896 HydrophobicContact CG2-CB 4Å; T883-C896 PolarHBondContact OG1-SG 3.24Å; I894-C896 HydrophobicContact CG2-CB 4.48Å; C896-D898 PolarHBondContact SG-O 3.49Å; C896-R902 HydrophobicContact CB-CB 4.46Å | ||
| 897 | M | 76.3 | Confident | 77.2 | Confident | 148 Ų | 148 | 65 Ų | 65 | 73% | 0.729 | 34% | 0.341 | S | S | * | . | trans | -94.5 | -22.9 | 176 | -74.8 | -62.5 | -52.1 | 0 | 0 | 113.3 | N882 | N882-M897 HydrophobicContact CB-CB 4.11Å; N882-M897 HydrophobicContact CB-CG 3.91Å | ||
| 898 | D | 80 | Confident | 77.3 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 34% | 0.337 | 34% | 0.34 | S | S | . | . | trans | -92.4 | 127.5 | -176.7 | 178.5 | 72.7 | 0 | 0 | 0 | 111.5 | C896 S900 T901 R902 | C896-D898 PolarHBondContact SG-O 3.49Å; D898-S900 PolarHBondContact OD2-N 2.79Å; D898-S900 PolarHBondContact OD2-OG 3.35Å; D898-T901 PolarHBondContact O-N 3.43Å; D898-T901 WeakPolarHBondContact OD2-CB 3.47Å; D898-T901 PolarHBondContact OD2-N 3.28Å; D898-T901 PolarHBondContact OD2-OG1 2.61Å; D898-R902 VanDerWaalsContact O-CB 3.28Å; D898-R902 WeakPolarHBondContact O-CB 3.47Å; D898-R902 PolarHBondContact O-N 3.22Å | ||
| 899 | E | 76.2 | Confident | 77.5 | Confident | 106 Ų | 106 | 63.3 Ų | 63.3 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.2 | -34.8 | -173.9 | -175.6 | 58.3 | -161 | 0 | 0 | 112.8 | R902 T903 | E899-R902 PolarHBondContact O-N 3.47Å; E899-R902 IonicContact OE1-CZ 2.74Å; E899-R902 IonicContact OE1-NE 3.12Å; E899-R902 PolarHBondContact OE1-NE 3.28Å; E899-R902 IonicContact OE1-NH2 3.51Å; E899-R902 PolarHBondContact OE1-NH2 2.7Å; E899-R902 IonicContact OE2-CZ 2.96Å; E899-R902 IonicContact OE2-NE 3.24Å; E899-R902 PolarHBondContact OE2-NE 2.63Å; E899-R902 IonicContact OE2-NH2 3.53Å; E899-T903 WeakPolarHBondContact O-CB 3.16Å; E899-T903 PolarHBondContact O-N 2.69Å; E899-T903 PolarHBondContact O-OG1 2.92Å |
| 900 | S | 79.4 | Confident | 77.8 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.6 | -43.3 | 178.3 | 76.4 | 0 | 0 | 0 | 0 | 111.2 | D898 T903 A904 | D898-S900 PolarHBondContact OD2-N 2.79Å; D898-S900 PolarHBondContact OD2-OG 3.35Å; S900-T903 PolarHBondContact O-N 3.23Å; S900-A904 PolarHBondContact O-N 2.91Å |
| 901 | T | 81.9 | Confident | 78.2 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 175.9 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | V840 T883 D898 T903 A904 I905 | V840-T901 HydrophobicContact CG1-CG2 4.38Å; T883-T901 HydrophobicContact CG2-CG2 4.11Å; D898-T901 PolarHBondContact O-N 3.43Å; D898-T901 WeakPolarHBondContact OD2-CB 3.47Å; D898-T901 PolarHBondContact OD2-N 3.28Å; D898-T901 PolarHBondContact OD2-OG1 2.61Å; T901-T903 VanDerWaalsContact C-N 3.31Å; T901-T903 PolarHBondContact O-N 2.73Å; T901-A904 PolarHBondContact O-N 2.8Å; T901-I905 HydrophobicContact CG2-CD1 3.82Å; T901-I905 HydrophobicContact CG2-CG1 4.36Å; T901-I905 WeakPolarHBondContact O-CB 3.49Å; T901-I905 VanDerWaalsContact O-CG1 3.25Å; T901-I905 WeakPolarHBondContact O-CG1 3.46Å; T901-I905 PolarHBondContact O-N 3.17Å |
| 902 | R | 82 | Confident | 78.4 | Confident | 103 Ų | 103 | 60.4 Ų | 60.4 | 39% | 0.389 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 174.7 | -172 | -170.3 | 76.5 | 88.7 | 0.8 | 111.3 | C896 D898 E899 I905 R906 | C896-R902 HydrophobicContact CB-CB 4.46Å; D898-R902 VanDerWaalsContact O-CB 3.28Å; D898-R902 WeakPolarHBondContact O-CB 3.47Å; D898-R902 PolarHBondContact O-N 3.22Å; E899-R902 PolarHBondContact O-N 3.47Å; E899-R902 IonicContact OE1-CZ 2.74Å; E899-R902 IonicContact OE1-NE 3.12Å; E899-R902 PolarHBondContact OE1-NE 3.28Å; E899-R902 IonicContact OE1-NH2 3.51Å; E899-R902 PolarHBondContact OE1-NH2 2.7Å; E899-R902 IonicContact OE2-CZ 2.96Å; E899-R902 IonicContact OE2-NE 3.24Å; E899-R902 PolarHBondContact OE2-NE 2.63Å; E899-R902 IonicContact OE2-NH2 3.53Å; R902-I905 PolarHBondContact O-N 3.43Å; R902-R906 VanDerWaalsContact O-CB 3.27Å; R902-R906 WeakPolarHBondContact O-CB 3.32Å; R902-R906 PolarHBondContact O-N 3.34Å |
| 903 | T | 81.5 | Confident | 77.8 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 178.4 | -57 | 0 | 0 | 0 | 0 | 111.1 | E899 S900 T901 I905 R906 D907 | E899-T903 WeakPolarHBondContact O-CB 3.16Å; E899-T903 PolarHBondContact O-N 2.69Å; E899-T903 PolarHBondContact O-OG1 2.92Å; S900-T903 PolarHBondContact O-N 3.23Å; T901-T903 VanDerWaalsContact C-N 3.31Å; T901-T903 PolarHBondContact O-N 2.73Å; T903-I905 PolarHBondContact O-N 3.12Å; T903-R906 PolarHBondContact O-N 2.91Å; T903-D907 WeakPolarHBondContact O-CB 3.37Å; T903-D907 PolarHBondContact O-N 3.45Å |
| 904 | A | 84.3 | Confident | 76.6 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V840 S900 T901 T908 | V840-A904 HydrophobicContact CG2-CB 3.48Å; V840-A904 VanDerWaalsContact CG2-CB 3.48Å; S900-A904 PolarHBondContact O-N 2.91Å; T901-A904 PolarHBondContact O-N 2.8Å; A904-T908 VanDerWaalsContact O-CB 3.27Å; A904-T908 WeakPolarHBondContact O-CB 3.43Å; A904-T908 PolarHBondContact O-N 3.31Å; A904-T908 VanDerWaalsContact O-N 3.07Å; A904-T908 PolarHBondContact O-OG1 3.17Å |
| 905 | I | 84.6 | Confident | 74.8 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -49 | 175 | -68.8 | 168.3 | 0 | 0 | 0 | 110.4 | L835 F878 T883 I885 I894 T901 R902 T903 D907 T908 I909 | L835-I905 HydrophobicContact CD2-CB 4.45Å; L835-I905 HydrophobicContact CD2-CG1 3.92Å; F878-I905 HydrophobicContact CZ-CD1 4.16Å; T883-I905 HydrophobicContact CG2-CD1 3.74Å; I885-I905 HydrophobicContact CD1-CD1 4.19Å; I885-I905 HydrophobicContact CD1-CG1 4.31Å; I885-I905 HydrophobicContact CD1-CG2 3.88Å; I885-I905 HydrophobicContact CG1-CG2 4.44Å; I894-I905 HydrophobicContact CD1-CG2 3.95Å; I894-I905 HydrophobicContact CG2-CD1 4.47Å; I894-I905 HydrophobicContact CG2-CG2 4.16Å; T901-I905 HydrophobicContact CG2-CD1 3.82Å; T901-I905 HydrophobicContact CG2-CG1 4.36Å; T901-I905 WeakPolarHBondContact O-CB 3.49Å; T901-I905 VanDerWaalsContact O-CG1 3.25Å; T901-I905 WeakPolarHBondContact O-CG1 3.46Å; T901-I905 PolarHBondContact O-N 3.17Å; R902-I905 PolarHBondContact O-N 3.43Å; T903-I905 PolarHBondContact O-N 3.12Å; I905-D907 PolarHBondContact O-N 3.08Å; I905-T908 PolarHBondContact O-N 3.4Å; I905-I909 HydrophobicContact CG2-CD1 3.66Å; I905-I909 HydrophobicContact CG2-CG1 4.34Å; I905-I909 WeakPolarHBondContact O-CG1 3.46Å; I905-I909 PolarHBondContact O-N 2.93Å |
| 906 | R | 81.2 | Confident | 72.8 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.8 | -55.3 | 178 | -179.2 | -164.7 | 69.7 | -179.6 | -2.2 | 110.6 | R902 T903 T908 I909 L910 | R902-R906 VanDerWaalsContact O-CB 3.27Å; R902-R906 WeakPolarHBondContact O-CB 3.32Å; R902-R906 PolarHBondContact O-N 3.34Å; T903-R906 PolarHBondContact O-N 2.91Å; R906-T908 PolarHBondContact O-N 3.33Å; R906-I909 PolarHBondContact O-N 3.45Å; R906-L910 HydrophobicContact CG-CD1 3.99Å; R906-L910 HydrophobicContact CG-CG 4.45Å; R906-L910 WeakPolarHBondContact O-CB 3.24Å; R906-L910 VanDerWaalsContact O-CG 3.24Å; R906-L910 WeakPolarHBondContact O-CG 3.36Å; R906-L910 PolarHBondContact O-N 2.65Å |
| 907 | D | 79.7 | Confident | 70.6 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -27.1 | -176.3 | -63.6 | -5.7 | 0 | 0 | 0 | 111.5 | R838 T903 I905 L911 | R838-D907 PolarHBondContact NH1-O 3.4Å; T903-D907 WeakPolarHBondContact O-CB 3.37Å; T903-D907 PolarHBondContact O-N 3.45Å; I905-D907 PolarHBondContact O-N 3.08Å; D907-L911 PolarHBondContact O-N 3.05Å |
| 908 | T | 82.2 | Confident | 68.7 | Low | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -78.7 | -42.7 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | L831 K834 L835 R838 A904 I905 R906 L910 L911 F912 | L831-T908 HydrophobicContact CD1-CG2 3.85Å; K834-T908 HydrophobicContact CB-CG2 3.55Å; L835-T908 HydrophobicContact CD2-CG2 4.02Å; L835-T908 HydrophobicContact CG-CG2 4.08Å; R838-T908 VanDerWaalsContact NH1-N 3.14Å; R838-T908 PolarHBondContact NH1-OG1 3.12Å; A904-T908 VanDerWaalsContact O-CB 3.27Å; A904-T908 WeakPolarHBondContact O-CB 3.43Å; A904-T908 PolarHBondContact O-N 3.31Å; A904-T908 VanDerWaalsContact O-N 3.07Å; A904-T908 PolarHBondContact O-OG1 3.17Å; I905-T908 PolarHBondContact O-N 3.4Å; R906-T908 PolarHBondContact O-N 3.33Å; T908-L910 VanDerWaalsContact C-N 3.26Å; T908-L910 PolarHBondContact O-N 3.45Å; T908-L911 VanDerWaalsContact O-CB 3.3Å; T908-L911 WeakPolarHBondContact O-CB 3.47Å; T908-L911 PolarHBondContact O-N 3.09Å; T908-F912 HydrophobicContact CG2-CE2 4.14Å; T908-F912 WeakPolarHBondContact O-CD2 3.44Å |
| 909 | I | 77.9 | Confident | 66.4 | Low | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 173.3 | -69.1 | 173.1 | 0 | 0 | 0 | 110.3 | I826 L831 I894 I905 R906 L911 F912 V913 | I826-I909 HydrophobicContact CD1-CG2 4.23Å; L831-I909 HydrophobicContact CD1-CG1 4.07Å; I894-I909 HydrophobicContact CD1-CD1 3.31Å; I894-I909 HydrophobicContact CG1-CD1 4.16Å; I905-I909 HydrophobicContact CG2-CD1 3.66Å; I905-I909 HydrophobicContact CG2-CG1 4.34Å; I905-I909 WeakPolarHBondContact O-CG1 3.46Å; I905-I909 PolarHBondContact O-N 2.93Å; R906-I909 PolarHBondContact O-N 3.45Å; I909-L911 PolarHBondContact O-N 3.16Å; I909-F912 PolarHBondContact O-N 3.18Å; I909-V913 HydrophobicContact CG2-CG2 4.41Å; I909-V913 PolarHBondContact O-N 3Å |
| 910 | L | 70.1 | Confident | 64.4 | Low | 44 Ų | 44 | 71.1 Ų | 71.1 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -19.8 | 173.6 | -71.6 | 174.6 | 0 | 0 | 0 | 113.7 | L816 R906 T908 F912 V913 | L816-L910 HydrophobicContact CD1-CD2 3.85Å; L816-L910 HydrophobicContact CD2-CD2 4.15Å; R906-L910 HydrophobicContact CG-CD1 3.99Å; R906-L910 HydrophobicContact CG-CG 4.45Å; R906-L910 WeakPolarHBondContact O-CB 3.24Å; R906-L910 VanDerWaalsContact O-CG 3.24Å; R906-L910 WeakPolarHBondContact O-CG 3.36Å; R906-L910 PolarHBondContact O-N 2.65Å; T908-L910 VanDerWaalsContact C-N 3.26Å; T908-L910 PolarHBondContact O-N 3.45Å; L910-F912 VanDerWaalsContact C-N 3.34Å; L910-V913 VanDerWaalsContact O-O 3.06Å |
| 911 | L | 70.1 | Confident | 62 | Low | 98 Ų | 98 | 71.6 Ų | 71.6 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.3 | -27.4 | 170.6 | -67.8 | 175.4 | 0 | 0 | 0 | 112.9 | K834 R838 D907 T908 I909 | K834-L911 HydrophobicContact CD-CD1 4.36Å; R838-L911 VanDerWaalsContact CZ-CD1 3.49Å; R838-L911 VanDerWaalsContact NH1-CD1 3.33Å; D907-L911 PolarHBondContact O-N 3.05Å; T908-L911 VanDerWaalsContact O-CB 3.3Å; T908-L911 WeakPolarHBondContact O-CB 3.47Å; T908-L911 PolarHBondContact O-N 3.09Å; I909-L911 PolarHBondContact O-N 3.16Å |
| 912 | F | 66.6 | Low | 59.5 | Low | 53 Ų | 53 | 79.9 Ų | 79.9 | 23% | 0.232 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -88.3 | -11.2 | 179.4 | -65.6 | -79 | 0 | 0 | 0 | 112.6 | I826 E830 L831 K834 T908 I909 L910 | I826-F912 HydrophobicContact CD1-CB 4.47Å; I826-F912 HydrophobicContact CG1-CB 4.31Å; I826-F912 HydrophobicContact CG2-CD2 4.41Å; I826-F912 HydrophobicContact CG2-CG 4.3Å; E830-F912 HydrophobicContact CB-CE1 4.15Å; E830-F912 HydrophobicContact CB-CZ 4.27Å; E830-F912 HydrophobicContact CG-CE1 3.72Å; E830-F912 HydrophobicContact CG-CZ 3.91Å; L831-F912 HydrophobicContact CB-CE2 4.25Å; L831-F912 HydrophobicContact CB-CZ 4.43Å; L831-F912 HydrophobicContact CD1-CD2 4.11Å; L831-F912 HydrophobicContact CD1-CE2 3.67Å; K834-F912 HydrophobicContact CB-CE2 4.23Å; K834-F912 HydrophobicContact CB-CZ 4.22Å; K834-F912 HydrophobicContact CG-CE2 4.22Å; K834-F912 HydrophobicContact CG-CZ 3.79Å; T908-F912 HydrophobicContact CG2-CE2 4.14Å; T908-F912 WeakPolarHBondContact O-CD2 3.44Å; I909-F912 PolarHBondContact O-N 3.18Å; L910-F912 VanDerWaalsContact C-N 3.34Å |
| 913 | V | 60.7 | Low | 58.4 | Low | 28 Ų | 28 | 78.8 Ų | 78.8 | 17% | 0.17 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -102.4 | 123.8 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | I909 L910 H915 | I909-V913 HydrophobicContact CG2-CG2 4.41Å; I909-V913 PolarHBondContact O-N 3Å; L910-V913 VanDerWaalsContact O-O 3.06Å; V913-H915 PolarHBondContact O-N 3.19Å |
| 914 | H | 51.6 | Low | 57.2 | Low | 168 Ų | 168 | 80.7 Ų | 80.7 | 78% | 0.778 | 43% | 0.427 | S | S | * | . | trans | -60.7 | 120.9 | 175.3 | -82.8 | -77.9 | 0 | 0 | 0 | 110.3 | L916 | H914-L916 PolarHBondContact O-N 3.31Š| ||
| 915 | H | 44 | Very low | 55.7 | Low | 124 Ų | 124 | 84.1 Ų | 84.1 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | trans | -74.5 | 114.5 | 178.6 | -127.1 | -79.6 | 0 | 0 | 0 | 109.8 | V913 | V913-H915 PolarHBondContact O-N 3.19Š| ||
| 916 | L | 38.4 | Very low | 54 | Low | 124 Ų | 124 | 88.9 Ų | 88.9 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | trans | -93.3 | 104.8 | 160.8 | -84.9 | 155.7 | 0 | 0 | 0 | 107 | H914 I918 | H914-L916 PolarHBondContact O-N 3.31Å; L916-I918 PolarHBondContact O-N 3.2Å | ||
| 917 | D | 35.1 | Very low | 52.3 | Low | 94 Ų | 94 | 87.4 Ų | 87.4 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | trans | -84.3 | 94.4 | 176.5 | -149 | -0.1 | 0 | 0 | 0 | 109.3 | N919 S920 | D917-N919 PolarHBondContact O-N 2.86Å; D917-N919 VanDerWaalsContact O-N 3.17Å; D917-S920 PolarHBondContact O-N 3.06Å; D917-S920 PolarHBondContact O-OG 3.05Å | ||
| 918 | I | 36.3 | Very low | 50.4 | Low | 92 Ų | 92 | 89.4 Ų | 89.4 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -65.5 | -16.5 | -171.4 | -68.5 | 167.7 | 0 | 0 | 0 | 112.3 | L736 L916 | L736-I918 HydrophobicContact CD1-CG2 4.45Å; L916-I918 PolarHBondContact O-N 3.2Å |
| 919 | N | 31.7 | Very low | 48.2 | Very low | 128 Ų | 128 | 95.8 Ų | 95.8 | 68% | 0.684 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -90.8 | 6.4 | -178.3 | -67.8 | -18.1 | 0 | 0 | 0 | 114.7 | D917 | D917-N919 PolarHBondContact O-N 2.86Å; D917-N919 VanDerWaalsContact O-N 3.17Å |
| 920 | S | 32.6 | Very low | 45.9 | Very low | 73 Ų | 73 | 101.8 Ų | 101.8 | 51% | 0.51 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -108.8 | 6.9 | 171.9 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | D917 | D917-S920 PolarHBondContact O-N 3.06Å; D917-S920 PolarHBondContact O-OG 3.05Å |
| 921 | V | 29.7 | Very low | 43.9 | Very low | 93 Ų | 93 | 106.6 Ų | 106.6 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | trans | -110.3 | 77.1 | 175.2 | -172.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 922 | V | 29.6 | Very low | 41.5 | Very low | 204 Ų | 204 | 107.4 Ų | 107.4 | 100% | 1.236 | 58% | 0.579 | S | S | * | * | trans | -129 | 0 | 157.9 | 178.8 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 922 of 922 residues in 524.8 ms
(Link to these results)