| 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 | 56 | Low | 52.4 | Low | 249 Ų | 249 | 133.5 Ų | 133.5 | 100% | 1.227 | 77% | 0.773 | S | S | * | * | 0 | 110.1 | 0 | -159 | 170.4 | -166.8 | 0 | 0 | 106.2 | |||||
| 2 | Q | 50 | Low | 54.9 | Low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 141.2 | -178.2 | -165.3 | 164.1 | -22.8 | 0 | 0 | 108.3 | ||
| 3 | P | 59.8 | Low | 56.9 | Low | 101 Ų | 101 | 131.1 Ų | 131.1 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 150.2 | 175.5 | 26.4 | -34.7 | 0 | 0 | 0 | 110.3 | ||
| 4 | P | 44.7 | Very low | 58.7 | Low | 107 Ų | 107 | 123.9 Ų | 123.9 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 148 | 174.9 | 26.9 | -34.7 | 0 | 0 | 0 | 110.3 | Q6 | P4-Q6 PolarHBondContact O-N 3.41Š|
| 5 | P | 41.7 | Very low | 60.2 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57 | 125 | 176.6 | 24.7 | -33.6 | 0 | 0 | 0 | 109.1 | L7 | P5-L7 PolarHBondContact O-N 3.34Š|
| 6 | Q | 36.7 | Very low | 61.9 | Low | 181 Ų | 181 | 117.1 Ų | 117.1 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.2 | -177.6 | -62.7 | -168.1 | 11.3 | 0 | 0 | 109.2 | P4 | P4-Q6 PolarHBondContact O-N 3.41Š|
| 7 | L | 37 | Very low | 63.5 | Low | 160 Ų | 160 | 111.1 Ų | 111.1 | 84% | 0.838 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 150.5 | 175.5 | -77.1 | 166.2 | 0 | 0 | 0 | 110.1 | P5 A9 | P5-L7 PolarHBondContact O-N 3.34Å; L7-A9 PolarHBondContact O-N 2.81Å |
| 8 | P | 47.1 | Very low | 65 | Low | 72 Ų | 72 | 109.3 Ų | 109.3 | 47% | 0.468 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -47.5 | 139.7 | 177.4 | -29.9 | 36 | 0 | 0 | 0 | 112.6 | A10 F240 | P8-A10 PolarHBondContact O-N 3.26Å; P8-F240 HydrophobicContact CB-CD2 4.4Å; P8-F240 HydrophobicContact CB-CE1 4.22Å; P8-F240 HydrophobicContact CB-CE2 3.59Å; P8-F240 HydrophobicContact CB-CZ 3.48Å; P8-F240 VanDerWaalsContact CB-CZ 3.48Å; P8-F240 HydrophobicContact CG-CE2 3.59Å; P8-F240 HydrophobicContact CG-CZ 3.53Å |
| 9 | A | 57.1 | Low | 66.5 | Low | 100 Ų | 100 | 104.1 Ų | 104.1 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | trans | -60.6 | 100.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | L7 L11 | L7-A9 PolarHBondContact O-N 2.81Å; A9-L11 PolarHBondContact O-N 3.42Å | ||
| 10 | A | 71.6 | Confident | 67.9 | Low | 93 Ų | 93 | 100.9 Ų | 100.9 | 77% | 0.769 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.3 | 179 | 0 | 0 | 0 | 0 | 0 | 109.4 | P8 | P8-A10 PolarHBondContact O-N 3.26Š|
| 11 | L | 74.7 | Confident | 69.2 | Low | 96 Ų | 96 | 97.4 Ų | 97.4 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 139.7 | 176.7 | -69.2 | 164.9 | 0 | 0 | 0 | 109.8 | A9 F15 M247 | A9-L11 PolarHBondContact O-N 3.42Å; L11-F15 HydrophobicContact CB-CB 4.46Å; L11-M247 HydrophobicContact CD1-CE 3.63Å; L11-M247 HydrophobicContact CD1-SD 3.54Å; L11-M247 VanDerWaalsContact CD1-SD 3.54Å; L11-M247 HydrophobicContact CD2-SD 3.91Å; L11-M247 HydrophobicContact CG-SD 4.39Å |
| 12 | P | 82.8 | Confident | 71.1 | Confident | 80 Ų | 80 | 86.4 Ų | 86.4 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 144 | 179.8 | -21.2 | 31.6 | 0 | 0 | 0 | 111.3 | G14 F15 | P12-G14 PolarHBondContact O-N 3.21Å; P12-F15 HydrophobicContact CB-CD2 3.74Å; P12-F15 HydrophobicContact CB-CE2 3.83Å; P12-F15 HydrophobicContact CG-CD2 4.11Å; P12-F15 HydrophobicContact CG-CE2 4.04Å; P12-F15 WeakPolarHBondContact O-CB 3.39Å; P12-F15 WeakPolarHBondContact O-CD2 3.38Å; P12-F15 PolarHBondContact O-N 3.45Å; P12-F15 VanDerWaalsContact O-N 3.08Å |
| 13 | V | 80.3 | Confident | 73.2 | Confident | 156 Ų | 156 | 78.5 Ų | 78.5 | 95% | 0.945 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 129.8 | -177.1 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 14 | G | 81.7 | Confident | 74.9 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -9.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P12 R16 Y250 | P12-G14 PolarHBondContact O-N 3.21Å; G14-R16 PolarHBondContact O-N 3.39Å; G14-Y250 PolarHBondContact O-N 3.17Å |
| 15 | F | 82.4 | Confident | 77.3 | Confident | 78 Ų | 78 | 68.6 Ų | 68.6 | 34% | 0.342 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.5 | 168.2 | -78.8 | -109.8 | 0 | 0 | 0 | 110 | L11 P12 M247 P249 | L11-F15 HydrophobicContact CB-CB 4.46Å; P12-F15 HydrophobicContact CB-CD2 3.74Å; P12-F15 HydrophobicContact CB-CE2 3.83Å; P12-F15 HydrophobicContact CG-CD2 4.11Å; P12-F15 HydrophobicContact CG-CE2 4.04Å; P12-F15 WeakPolarHBondContact O-CB 3.39Å; P12-F15 WeakPolarHBondContact O-CD2 3.38Å; P12-F15 PolarHBondContact O-N 3.45Å; P12-F15 VanDerWaalsContact O-N 3.08Å; F15-M247 HydrophobicContact CD1-CB 3.89Å; F15-M247 WeakPolarHBondContact CD1-O 3.36Å; F15-M247 WeakPolarHBondContact CE1-O 3.28Å; F15-P249 HydrophobicContact CE2-CG 4.27Å; F15-P249 HydrophobicContact CZ-CG 4.17Å |
| 16 | R | 87.1 | Confident | 79.7 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 23% | 0.226 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 161.2 | 178.4 | -67.2 | -165.8 | 175.9 | 174.1 | 1.1 | 112.4 | G14 R18 D66 D67 R248 | G14-R16 PolarHBondContact O-N 3.39Å; R16-R18 VanDerWaalsContact C-N 3.34Å; R16-R18 HydrophobicContact CB-CG 4.25Å; R16-R18 PolarHBondContact O-N 3.5Å; R16-D66 IonicContact CZ-OD2 3.98Å; R16-D66 IonicContact NE-OD2 3.33Å; R16-D66 IonicContact NH2-OD2 2.71Å; R16-D66 PolarHBondContact NH2-OD2 2.83Å; R16-D67 VanDerWaalsContact CD-OD1 3.28Å; R16-D67 WeakPolarHBondContact CD-OD1 3.46Å; R16-D67 WeakPolarHBondContact CD-OD2 3.17Å; R16-D67 IonicContact CZ-OD1 2.66Å; R16-D67 IonicContact NE-OD1 3.85Å; R16-D67 IonicContact NH1-OD1 3.59Å; R16-D67 PolarHBondContact NH1-OD1 2.99Å; R16-R248 PolarHBondContact N-O 2.64Å |
| 17 | F | 89.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 60 Ų | 60 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | trans | -78.6 | 79.4 | 177.1 | -171.9 | -94.1 | 0 | 0 | 0 | 110.6 | P19 Y28 I44 I63 F71 | F17-P19 HydrophobicContact CD1-CG 4.09Å; F17-P19 HydrophobicContact CE1-CG 3.58Å; F17-P19 HydrophobicContact CZ-CG 3.9Å; F17-P19 VanDerWaalsContact O-CD 3.25Å; F17-P19 WeakPolarHBondContact O-CD 3.27Å; F17-Y28 HydrophobicContact CE2-CE1 4.05Å; F17-Y28 HydrophobicContact CE2-CE2 4.48Å; F17-Y28 AromaticContact CE2-CZ 3.73Å; F17-Y28 WeakPolarHBondContact CE2-OH 3.36Å; F17-Y28 HydrophobicContact CZ-CE1 4.09Å; F17-Y28 HydrophobicContact CZ-CE2 4.36Å; F17-Y28 AromaticContact CZ-CZ 3.91Å; F17-I44 HydrophobicContact CZ-CD1 4.17Å; F17-I63 HydrophobicContact CB-CG2 3.87Å; F17-I63 HydrophobicContact CD1-CD1 3.75Å; F17-I63 HydrophobicContact CD1-CG2 4.45Å; F17-I63 HydrophobicContact CD2-CD1 4.2Å; F17-I63 HydrophobicContact CE1-CD1 3.69Å; F17-I63 HydrophobicContact CE2-CD1 4.12Å; F17-I63 HydrophobicContact CG-CD1 4.02Å; F17-I63 HydrophobicContact CG-CG2 4.19Å; F17-I63 HydrophobicContact CZ-CD1 3.9Å; F17-F71 AromaticContact CD1-CD2 3.74Å; F17-F71 HydrophobicContact CD1-CD2 3.74Å; F17-F71 AromaticContact CD1-CE2 3.6Å; F17-F71 HydrophobicContact CD1-CE2 3.6Å; F17-F71 HydrophobicContact CD1-CG 4.3Å; F17-F71 HydrophobicContact CD1-CZ 4.02Å; F17-F71 HydrophobicContact CE1-CB 4.41Å; F17-F71 AromaticContact CE1-CD1 3.88Å; F17-F71 HydrophobicContact CE1-CD1 3.88Å; F17-F71 AromaticContact CE1-CD2 3.64Å; F17-F71 HydrophobicContact CE1-CD2 3.64Å; F17-F71 AromaticContact CE1-CE1 3.97Å; F17-F71 HydrophobicContact CE1-CE1 3.97Å; F17-F71 AromaticContact CE1-CE2 3.77Å; F17-F71 HydrophobicContact CE1-CE2 3.77Å; F17-F71 AromaticContact CE1-CG 3.71Å; F17-F71 HydrophobicContact CE1-CG 3.71Å; F17-F71 AromaticContact CE1-CZ 3.93Å; F17-F71 HydrophobicContact CE1-CZ 3.93Å | ||
| 18 | R | 89.8 | Confident | 85 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | trans | -118.1 | 63.3 | -179.4 | -66.3 | -175.9 | 176.9 | -172.8 | -4.1 | 112.5 | R16 D67 | R16-R18 VanDerWaalsContact C-N 3.34Å; R16-R18 HydrophobicContact CB-CG 4.25Å; R16-R18 PolarHBondContact O-N 3.5Å; R18-D67 WeakPolarHBondContact CG-OD2 3.41Å; R18-D67 IonicContact CZ-OD1 2.86Å; R18-D67 IonicContact CZ-OD2 3.54Å; R18-D67 IonicContact NE-OD1 2.75Å; R18-D67 IonicContact NE-OD2 3.54Å; R18-D67 PolarHBondContact NE-OD2 3.13Å; R18-D67 IonicContact NH2-OD1 2.63Å; R18-D67 PolarHBondContact NH2-OD1 2.89Å; R18-D67 IonicContact NH2-OD2 3.84Å | ||
| 19 | P | 93.1 | Very high | 87.2 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | trans | -70.7 | 144.7 | 179.7 | 32.6 | -38.1 | 0 | 0 | 0 | 112 | F17 E23 L24 F71 R158 | F17-P19 HydrophobicContact CD1-CG 4.09Å; F17-P19 HydrophobicContact CE1-CG 3.58Å; F17-P19 HydrophobicContact CZ-CG 3.9Å; F17-P19 VanDerWaalsContact O-CD 3.25Å; F17-P19 WeakPolarHBondContact O-CD 3.27Å; P19-E23 HydrophobicContact CB-CB 4.13Å; P19-L24 HydrophobicContact CB-CD2 4Å; P19-L24 HydrophobicContact CB-CG 3.99Å; P19-L24 HydrophobicContact CG-CD1 4.37Å; P19-L24 HydrophobicContact CG-CD2 3.46Å; P19-L24 VanDerWaalsContact CG-CD2 3.46Å; P19-L24 HydrophobicContact CG-CG 3.82Å; P19-F71 HydrophobicContact CG-CE1 4.1Å; P19-F71 HydrophobicContact CG-CZ 4.29Å; P19-R158 PolarHBondContact O-NH1 3.18Å | ||
| 20 | T | 94.6 | Very high | 88.8 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | trans | -71.8 | 164.6 | 171.7 | 62 | 0 | 0 | 0 | 0 | 112 | E22 E23 L24 | T20-E22 PolarHBondContact O-N 3.18Å; T20-E22 VanDerWaalsContact O-N 3.11Å; T20-E23 VanDerWaalsContact CB-OE2 3.24Å; T20-E23 WeakPolarHBondContact CB-OE2 3.32Å; T20-E23 VanDerWaalsContact CG2-OE2 3.29Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.38Å; T20-E23 PolarHBondContact N-OE2 3.25Å; T20-E23 PolarHBondContact O-N 3.4Å; T20-E23 WeakPolarHBondContact OG1-CG 3.46Å; T20-E23 PolarHBondContact OG1-N 2.92Å; T20-E23 PolarHBondContact OG1-OE2 3.16Å; T20-L24 WeakPolarHBondContact O-CG 3.22Å; T20-L24 PolarHBondContact O-N 3.39Å; T20-L24 VanDerWaalsContact O-N 3.1Å | ||
| 21 | D | 96.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24 | 176.4 | -70.7 | -17.1 | 0 | 0 | 0 | 113.3 | V25 R102 I104 K116 Y139 | D21-V25 WeakPolarHBondContact O-CG2 3.34Å; D21-R102 IonicContact OD2-CZ 2.64Å; D21-R102 IonicContact OD2-NH2 3.75Å; D21-I104 HydrophobicContact CB-CD1 4.48Å; D21-I104 HydrophobicContact CB-CG1 4.43Å; D21-I104 HydrophobicContact CB-CG2 4.36Å; D21-I104 WeakPolarHBondContact O-CG2 3.27Å; D21-K116 VanDerWaalsContact CG-CD 3.49Å; D21-K116 WeakPolarHBondContact OD1-CD 3.19Å; D21-K116 IonicContact OD1-NZ 3.64Å; D21-K116 PolarHBondContact OD1-NZ 3.33Å; D21-K116 WeakPolarHBondContact OD2-CD 3.3Å; D21-K116 IonicContact OD2-NZ 2.64Å; D21-K116 PolarHBondContact OD2-NZ 3.47Å; D21-Y139 HydrophobicContact CB-CE1 4.04Å; D21-Y139 VanDerWaalsContact OD1-CE1 3.3Å; D21-Y139 WeakPolarHBondContact OD1-CE1 3.47Å; D21-Y139 PolarHBondContact OD1-OH 2.71Å |
| 22 | E | 95.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -48.2 | 174.7 | 172.3 | 175.7 | -156.1 | 0 | 0 | 112.5 | T20 L24 V25 L26 S106 R107 I113 | T20-E22 PolarHBondContact O-N 3.18Å; T20-E22 VanDerWaalsContact O-N 3.11Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.18Å; E22-V25 PolarHBondContact O-N 3.36Å; E22-L26 HydrophobicContact CG-CD1 3.7Å; E22-L26 HydrophobicContact CG-CG 4.18Å; E22-L26 PolarHBondContact O-N 3.22Å; E22-S106 WeakPolarHBondContact OE1-CA 3.42Å; E22-S106 WeakPolarHBondContact OE1-CB 3.49Å; E22-R107 PolarHBondContact OE1-N 2.98Å; E22-R107 IonicContact OE2-CZ 3.51Å; E22-R107 IonicContact OE2-NE 2.7Å; E22-R107 IonicContact OE2-NH1 2.8Å; E22-R107 PolarHBondContact OE2-NH1 3.48Å; E22-R107 IonicContact OE2-NH2 3.59Å; E22-R107 PolarHBondContact OE2-NH2 3.11Å; E22-I113 HydrophobicContact CB-CD1 4.36Å; E22-I113 HydrophobicContact CG-CD1 3.89Å |
| 23 | E | 94.8 | Very high | 90.8 | Very high | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | -179.4 | -73.3 | 151.3 | 155.2 | 0 | 0 | 110.8 | P19 T20 V25 L26 H27 P246 R248 | P19-E23 HydrophobicContact CB-CB 4.13Å; T20-E23 VanDerWaalsContact CB-OE2 3.24Å; T20-E23 WeakPolarHBondContact CB-OE2 3.32Å; T20-E23 VanDerWaalsContact CG2-OE2 3.29Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.38Å; T20-E23 PolarHBondContact N-OE2 3.25Å; T20-E23 PolarHBondContact O-N 3.4Å; T20-E23 WeakPolarHBondContact OG1-CG 3.46Å; T20-E23 PolarHBondContact OG1-N 2.92Å; T20-E23 PolarHBondContact OG1-OE2 3.16Å; E23-V25 PolarHBondContact O-N 2.9Å; E23-L26 PolarHBondContact O-N 3.41Å; E23-H27 PolarHBondContact O-N 3.07Å; E23-P246 WeakPolarHBondContact OE1-CD 3.33Å; E23-P246 WeakPolarHBondContact OE1-CG 3.32Å; E23-R248 VanDerWaalsContact CD-NH2 3.34Å; E23-R248 IonicContact OE1-CZ 2.95Å; E23-R248 IonicContact OE1-NE 2.64Å; E23-R248 IonicContact OE1-NH2 2.78Å; E23-R248 PolarHBondContact OE1-NH2 3.36Å; E23-R248 IonicContact OE2-CZ 3.59Å; E23-R248 IonicContact OE2-NH2 2.86Å; E23-R248 PolarHBondContact OE2-NH2 3.14Å |
| 24 | L | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -56 | -32.7 | 172.8 | -72.2 | 174.6 | 0 | 0 | 0 | 113.6 | P19 T20 E22 Y28 L29 F71 Y139 L156 | P19-L24 HydrophobicContact CB-CD2 4Å; P19-L24 HydrophobicContact CB-CG 3.99Å; P19-L24 HydrophobicContact CG-CD1 4.37Å; P19-L24 HydrophobicContact CG-CD2 3.46Å; P19-L24 VanDerWaalsContact CG-CD2 3.46Å; P19-L24 HydrophobicContact CG-CG 3.82Å; T20-L24 WeakPolarHBondContact O-CG 3.22Å; T20-L24 PolarHBondContact O-N 3.39Å; T20-L24 VanDerWaalsContact O-N 3.1Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.18Å; L24-Y28 HydrophobicContact CD2-CD2 4.48Å; L24-L29 WeakPolarHBondContact O-CB 3.34Å; L24-L29 PolarHBondContact O-N 3.46Å; L24-F71 HydrophobicContact CD1-CE1 4.16Å; L24-F71 HydrophobicContact CD2-CD1 3.96Å; L24-F71 HydrophobicContact CD2-CE1 3.87Å; L24-Y139 HydrophobicContact CB-CD1 4.37Å; L24-Y139 HydrophobicContact CB-CE1 4.37Å; L24-Y139 HydrophobicContact CD1-CD1 4.41Å; L24-Y139 HydrophobicContact CD1-CD2 4.5Å; L24-Y139 HydrophobicContact CD1-CE1 3.76Å; L24-Y139 HydrophobicContact CD1-CE2 3.86Å; L24-Y139 VanDerWaalsContact CD1-CZ 3.44Å; L24-L156 HydrophobicContact CB-CD2 4.38Å; L24-L156 HydrophobicContact CD1-CD2 4.29Å; L24-L156 HydrophobicContact CD2-CD1 3.94Å; L24-L156 HydrophobicContact CD2-CD2 3.91Å; L24-L156 HydrophobicContact CG-CD2 4.43Å |
| 25 | V | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -84.4 | -46.8 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | D21 E22 E23 K30 I104 I113 Y139 T141 | D21-V25 WeakPolarHBondContact O-CG2 3.34Å; E22-V25 PolarHBondContact O-N 3.36Å; E23-V25 PolarHBondContact O-N 2.9Å; V25-K30 WeakPolarHBondContact O-CB 3.38Å; V25-K30 WeakPolarHBondContact O-CG 2.9Å; V25-K30 PolarHBondContact O-N 3.28Å; V25-I104 HydrophobicContact CG2-CD1 3.57Å; V25-I104 HydrophobicContact CG2-CG2 4.37Å; V25-I113 HydrophobicContact CB-CD1 4.12Å; V25-I113 HydrophobicContact CG1-CB 4.07Å; V25-I113 HydrophobicContact CG1-CD1 4Å; V25-I113 HydrophobicContact CG1-CG1 4.09Å; V25-Y139 HydrophobicContact CG2-CD1 4.44Å; V25-T141 HydrophobicContact CG1-CG2 4.47Å |
| 26 | L | 91.7 | Very high | 91.1 | Very high | 53 Ų | 53 | 35 Ų | 35 | 28% | 0.277 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -80.5 | -41.2 | -171 | -67.3 | -175.9 | 0 | 0 | 0 | 114.3 | E22 E23 K30 P31 I113 | E22-L26 HydrophobicContact CG-CD1 3.7Å; E22-L26 HydrophobicContact CG-CG 4.18Å; E22-L26 PolarHBondContact O-N 3.22Å; E23-L26 PolarHBondContact O-N 3.41Å; L26-K30 HydrophobicContact CD2-CD 4.17Å; L26-P31 VanDerWaalsContact O-CD 3.27Å; L26-P31 WeakPolarHBondContact O-CD 3.3Å; L26-I113 HydrophobicContact CD1-CD1 4.13Å; L26-I113 HydrophobicContact CD2-CB 4.3Å; L26-I113 HydrophobicContact CD2-CD1 3.81Å; L26-I113 HydrophobicContact CD2-CG2 4.08Å; L26-I113 HydrophobicContact CG-CD1 3.7Å |
| 27 | H | 91.6 | Very high | 90.3 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 34% | 0.338 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -98.9 | -25.3 | -173.1 | -63.7 | -100.7 | 0 | 0 | 0 | 112.8 | E23 P31 S245 | E23-H27 PolarHBondContact O-N 3.07Å; H27-P31 WeakPolarHBondContact O-CG 3.24Å; H27-S245 WeakPolarHBondContact CB-OG 3.35Å |
| 28 | Y | 93.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -106.6 | -65.1 | -179.3 | -62.2 | -86.1 | 0 | 0 | 0 | 112.6 | F17 L24 P31 K32 D40 L41 I44 S245 | F17-Y28 HydrophobicContact CE2-CE1 4.05Å; F17-Y28 HydrophobicContact CE2-CE2 4.48Å; F17-Y28 AromaticContact CE2-CZ 3.73Å; F17-Y28 WeakPolarHBondContact CE2-OH 3.36Å; F17-Y28 HydrophobicContact CZ-CE1 4.09Å; F17-Y28 HydrophobicContact CZ-CE2 4.36Å; F17-Y28 AromaticContact CZ-CZ 3.91Å; L24-Y28 HydrophobicContact CD2-CD2 4.48Å; Y28-P31 WeakPolarHBondContact O-CD 3.31Å; Y28-K32 WeakPolarHBondContact O-CB 3.2Å; Y28-K32 PolarHBondContact O-N 3.1Å; Y28-K32 VanDerWaalsContact O-N 3.13Å; Y28-D40 HydrophobicContact CE1-CB 3.96Å; Y28-D40 WeakPolarHBondContact CE1-O 3.39Å; Y28-L41 HydrophobicContact CD1-CD2 4.24Å; Y28-L41 WeakPolarHBondContact O-CD2 3.39Å; Y28-I44 HydrophobicContact CD1-CD1 3.44Å; Y28-I44 VanDerWaalsContact CD1-CD1 3.44Å; Y28-I44 HydrophobicContact CD1-CG1 4.28Å; Y28-I44 HydrophobicContact CE1-CD1 4.07Å; Y28-I44 HydrophobicContact CG-CD1 3.9Å; Y28-S245 WeakPolarHBondContact CE2-OG 3.3Å; Y28-S245 WeakPolarHBondContact OH-CB 3.44Å; Y28-S245 PolarHBondContact OH-OG 3.05Å; Y28-S245 VanDerWaalsContact OH-OG 3.13Å |
| 29 | L | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -70 | -43.9 | -171.2 | -175.2 | 58.5 | 0 | 0 | 0 | 114 | L24 I33 F73 Y139 T141 F154 L156 | L24-L29 WeakPolarHBondContact O-CB 3.34Å; L24-L29 PolarHBondContact O-N 3.46Å; L29-I33 HydrophobicContact CD1-CD1 3.81Å; L29-I33 HydrophobicContact CD1-CG1 4.19Å; L29-I33 HydrophobicContact CG-CD1 3.87Å; L29-I33 WeakPolarHBondContact O-CG1 3.32Å; L29-I33 PolarHBondContact O-N 3.46Å; L29-I33 VanDerWaalsContact O-N 3.11Å; L29-F73 HydrophobicContact CD1-CD1 4.41Å; L29-F73 HydrophobicContact CD1-CE1 4.26Å; L29-Y139 WeakPolarHBondContact CD2-O 3.47Å; L29-T141 HydrophobicContact CD2-CG2 4.16Å; L29-T141 HydrophobicContact CG-CG2 4.16Å; L29-F154 HydrophobicContact CD1-CB 4.21Å; L29-L156 HydrophobicContact CB-CB 4.33Å; L29-L156 HydrophobicContact CD1-CB 4.14Å; L29-L156 HydrophobicContact CD2-CB 4.36Å |
| 30 | K | 90.9 | Very high | 88.6 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 176.9 | -79.4 | -164.9 | -174.7 | -162 | 0 | 112.2 | V25 L26 I33 A34 T141 E143 L146 | V25-K30 WeakPolarHBondContact O-CB 3.38Å; V25-K30 WeakPolarHBondContact O-CG 2.9Å; V25-K30 PolarHBondContact O-N 3.28Å; L26-K30 HydrophobicContact CD2-CD 4.17Å; K30-I33 PolarHBondContact O-N 3.43Å; K30-A34 VanDerWaalsContact O-CB 3.32Å; K30-A34 WeakPolarHBondContact O-CB 3.36Å; K30-A34 PolarHBondContact O-N 3.23Å; K30-T141 HydrophobicContact CG-CG2 3.8Å; K30-E143 VanDerWaalsContact CE-OE2 3.3Å; K30-E143 WeakPolarHBondContact CE-OE2 3.22Å; K30-E143 IonicContact NZ-OE2 3.56Å; K30-E143 PolarHBondContact NZ-OE2 3.21Å; K30-L146 HydrophobicContact CB-CD1 4.32Å; K30-L146 HydrophobicContact CG-CD1 4.14Å |
| 31 | P | 89.7 | Confident | 88 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.8 | -30.7 | 41.7 | 0 | 0 | 0 | 114.3 | L26 H27 Y28 I33 A34 G35 R36 L41 | L26-P31 VanDerWaalsContact O-CD 3.27Å; L26-P31 WeakPolarHBondContact O-CD 3.3Å; H27-P31 WeakPolarHBondContact O-CG 3.24Å; Y28-P31 WeakPolarHBondContact O-CD 3.31Å; P31-I33 PolarHBondContact O-N 3.26Å; P31-A34 CarbonylContact O-C 3.56Å; P31-A34 PolarHBondContact O-N 3.13Å; P31-G35 PolarHBondContact O-N 2.83Å; P31-R36 HydrophobicContact CB-CB 4.22Å; P31-R36 PolarHBondContact O-N 2.82Å; P31-R36 VanDerWaalsContact O-N 3.07Å; P31-L41 HydrophobicContact CB-CD1 4.05Å; P31-L41 HydrophobicContact CB-CD2 4.36Å |
| 32 | K | 91.7 | Very high | 87.4 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 12% | 0.122 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 174 | -179.7 | 74.4 | -175.1 | -164 | 0 | 112.3 | Y28 G35 L41 D46 F73 N151 F154 | Y28-K32 WeakPolarHBondContact O-CB 3.2Å; Y28-K32 PolarHBondContact O-N 3.1Å; Y28-K32 VanDerWaalsContact O-N 3.13Å; K32-G35 PolarHBondContact O-N 2.92Å; K32-L41 HydrophobicContact CB-CD1 4.47Å; K32-D46 WeakPolarHBondContact CE-OD1 3.37Å; K32-D46 IonicContact NZ-OD1 3.36Å; K32-D46 PolarHBondContact NZ-OD1 2.97Å; K32-D46 IonicContact NZ-OD2 3.51Å; K32-D46 PolarHBondContact NZ-OD2 3.49Å; K32-F73 HydrophobicContact CB-CD1 4.38Å; K32-F73 HydrophobicContact CB-CE1 3.81Å; K32-F73 HydrophobicContact CB-CE2 4.15Å; K32-F73 HydrophobicContact CB-CZ 3.68Å; K32-F73 HydrophobicContact CD-CD2 3.78Å; K32-F73 HydrophobicContact CD-CE2 3.82Å; K32-F73 HydrophobicContact CD-CG 4.18Å; K32-F73 HydrophobicContact CD-CZ 4.25Å; K32-F73 HydrophobicContact CG-CD1 3.95Å; K32-F73 HydrophobicContact CG-CD2 4.06Å; K32-F73 HydrophobicContact CG-CE1 3.89Å; K32-F73 HydrophobicContact CG-CE2 4.01Å; K32-F73 HydrophobicContact CG-CG 4.05Å; K32-F73 HydrophobicContact CG-CZ 3.93Å; K32-N151 PolarHBondContact O-ND2 2.9Å; K32-F154 VanDerWaalsContact CE-CE1 3.49Å; K32-F154 HydrophobicContact CG-CB 4.33Å; K32-F154 HydrophobicContact CG-CD1 4.22Å; K32-F154 HydrophobicContact CG-CD2 4.38Å; K32-F154 HydrophobicContact CG-CG 4.06Å |
| 33 | I | 90 | Very high | 87 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -37.3 | 176.7 | -68.1 | 168.7 | 0 | 0 | 0 | 111.5 | L29 K30 P31 G35 T141 L146 G149 F154 | L29-I33 HydrophobicContact CD1-CD1 3.81Å; L29-I33 HydrophobicContact CD1-CG1 4.19Å; L29-I33 HydrophobicContact CG-CD1 3.87Å; L29-I33 WeakPolarHBondContact O-CG1 3.32Å; L29-I33 PolarHBondContact O-N 3.46Å; L29-I33 VanDerWaalsContact O-N 3.11Å; K30-I33 PolarHBondContact O-N 3.43Å; P31-I33 PolarHBondContact O-N 3.26Å; I33-G35 PolarHBondContact O-N 2.86Å; I33-T141 HydrophobicContact CD1-CG2 3.86Å; I33-L146 HydrophobicContact CB-CD1 4.19Å; I33-L146 HydrophobicContact CG2-CB 4.42Å; I33-L146 HydrophobicContact CG2-CD1 3.83Å; I33-G149 WeakPolarHBondContact O-CA 3.39Å; I33-G149 PolarHBondContact O-N 2.98Å; I33-F154 HydrophobicContact CG1-CB 3.92Å |
| 34 | A | 87.2 | Confident | 86.9 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -1.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | K30 P31 R36 | K30-A34 VanDerWaalsContact O-CB 3.32Å; K30-A34 WeakPolarHBondContact O-CB 3.36Å; K30-A34 PolarHBondContact O-N 3.23Å; P31-A34 CarbonylContact O-C 3.56Å; P31-A34 PolarHBondContact O-N 3.13Å; A34-R36 VanDerWaalsContact C-N 3.29Å; A34-R36 HydrophobicContact CB-CG 4.21Å; A34-R36 PolarHBondContact O-N 3.25Å |
| 35 | G | 84 | Confident | 86.8 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 20 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P31 K32 I33 A37 | P31-G35 PolarHBondContact O-N 2.83Å; K32-G35 PolarHBondContact O-N 2.92Å; I33-G35 PolarHBondContact O-N 2.86Å; G35-A37 PolarHBondContact O-N 3.35Å |
| 36 | R | 78.7 | Confident | 86.8 | Confident | 172 Ų | 172 | 47.3 Ų | 47.3 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | trans | -75.6 | 124.1 | 179.6 | -65 | -176.4 | -179.7 | -173.2 | -1.5 | 109.9 | P31 A34 H38 L41 | P31-R36 HydrophobicContact CB-CB 4.22Å; P31-R36 PolarHBondContact O-N 2.82Å; P31-R36 VanDerWaalsContact O-N 3.07Å; A34-R36 VanDerWaalsContact C-N 3.29Å; A34-R36 HydrophobicContact CB-CG 4.21Å; A34-R36 PolarHBondContact O-N 3.25Å; R36-H38 PolarHBondContact O-N 2.95Å; R36-L41 VanDerWaalsContact O-CD1 3.27Å; R36-L41 WeakPolarHBondContact O-CD1 3.39Å | ||
| 37 | A | 69.5 | Low | 86.8 | Confident | 110 Ų | 110 | 45.6 Ų | 45.6 | 91% | 0.909 | 26% | 0.258 | S | S | * | . | trans | -70.9 | 111.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G35 | G35-A37 PolarHBondContact O-N 3.35Š| ||
| 38 | H | 78.1 | Confident | 86.7 | Confident | 64 Ų | 64 | 46 Ų | 46 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | trans | -146.9 | 131.3 | 172 | -178.6 | 52.3 | 0 | 0 | 0 | 108.2 | R36 D40 L41 T244 | R36-H38 PolarHBondContact O-N 2.95Å; H38-D40 VanDerWaalsContact C-N 3.31Å; H38-D40 IonicContact CD2-OD2 2.82Å; H38-D40 IonicContact CE1-OD2 3.97Å; H38-D40 IonicContact NE2-OD1 3.68Å; H38-D40 IonicContact NE2-OD2 2.71Å; H38-D40 PolarHBondContact NE2-OD2 3.22Å; H38-D40 PolarHBondContact O-N 3.18Å; H38-L41 HydrophobicContact CB-CD1 4.31Å; H38-L41 HydrophobicContact CB-CG 4.3Å; H38-L41 VanDerWaalsContact O-CB 3.22Å; H38-L41 WeakPolarHBondContact O-CB 3.32Å; H38-L41 WeakPolarHBondContact O-CG 3.19Å; H38-L41 PolarHBondContact O-N 3.11Å; H38-T244 PolarHBondContact NE2-OG1 3.36Å | ||
| 39 | A | 78.5 | Confident | 86.5 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -72.7 | -21 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L41 L42 P241 | A39-L41 PolarHBondContact O-N 3.35Å; A39-L41 VanDerWaalsContact O-N 3.11Å; A39-L42 HydrophobicContact CB-CD1 4.24Å; A39-L42 WeakPolarHBondContact O-CB 3.48Å; A39-L42 PolarHBondContact O-N 2.73Å; A39-P241 HydrophobicContact CB-CB 3.76Å; A39-P241 HydrophobicContact CB-CG 3.69Å |
| 40 | D | 79.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -58.8 | -23.8 | 169.5 | -59.8 | -15 | 0 | 0 | 0 | 111.5 | Y28 H38 T244 | Y28-D40 HydrophobicContact CE1-CB 3.96Å; Y28-D40 WeakPolarHBondContact CE1-O 3.39Å; H38-D40 VanDerWaalsContact C-N 3.31Å; H38-D40 IonicContact CD2-OD2 2.82Å; H38-D40 IonicContact CE1-OD2 3.97Å; H38-D40 IonicContact NE2-OD1 3.68Å; H38-D40 IonicContact NE2-OD2 2.71Å; H38-D40 PolarHBondContact NE2-OD2 3.22Å; H38-D40 PolarHBondContact O-N 3.18Å; D40-T244 PolarHBondContact OD2-N 2.92Å; D40-T244 PolarHBondContact OD2-OG1 3.48Å |
| 41 | L | 83.9 | Confident | 86.1 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -76.5 | -22.3 | 175.1 | -52.7 | 179.2 | 0 | 0 | 0 | 113.1 | Y28 P31 K32 R36 H38 A39 L43 I44 F73 | Y28-L41 HydrophobicContact CD1-CD2 4.24Å; Y28-L41 WeakPolarHBondContact O-CD2 3.39Å; P31-L41 HydrophobicContact CB-CD1 4.05Å; P31-L41 HydrophobicContact CB-CD2 4.36Å; K32-L41 HydrophobicContact CB-CD1 4.47Å; R36-L41 VanDerWaalsContact O-CD1 3.27Å; R36-L41 WeakPolarHBondContact O-CD1 3.39Å; H38-L41 HydrophobicContact CB-CD1 4.31Å; H38-L41 HydrophobicContact CB-CG 4.3Å; H38-L41 VanDerWaalsContact O-CB 3.22Å; H38-L41 WeakPolarHBondContact O-CB 3.32Å; H38-L41 WeakPolarHBondContact O-CG 3.19Å; H38-L41 PolarHBondContact O-N 3.11Å; A39-L41 PolarHBondContact O-N 3.35Å; A39-L41 VanDerWaalsContact O-N 3.11Å; L41-L43 PolarHBondContact O-N 3.49Å; L41-I44 PolarHBondContact O-N 3.13Å; L41-F73 HydrophobicContact CB-CE2 4.42Å; L41-F73 HydrophobicContact CD2-CE2 4.38Å; L41-F73 HydrophobicContact CD2-CZ 4.11Å |
| 42 | L | 83.8 | Confident | 86.3 | Confident | 132 Ų | 132 | 49.5 Ų | 49.5 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -18.1 | 177.2 | -57.8 | 175.7 | 0 | 0 | 0 | 111.9 | A39 I44 L62 | A39-L42 HydrophobicContact CB-CD1 4.24Å; A39-L42 WeakPolarHBondContact O-CB 3.48Å; A39-L42 PolarHBondContact O-N 2.73Å; L42-I44 VanDerWaalsContact C-N 3.27Å; L42-I44 PolarHBondContact O-N 2.63Å; L42-L62 VanDerWaalsContact O-CD1 3.31Å; L42-L62 WeakPolarHBondContact O-CD1 3.27Å |
| 43 | L | 86.3 | Confident | 86.5 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.2 | 173.4 | -58.3 | 175.9 | 0 | 0 | 0 | 112.6 | L41 P45 I63 | L41-L43 PolarHBondContact O-N 3.49Å; L43-P45 WeakPolarHBondContact O-CD 3.41Å; L43-I63 HydrophobicContact CB-CD1 4.36Å; L43-I63 HydrophobicContact CB-CG1 4.03Å; L43-I63 WeakPolarHBondContact O-CG1 3.34Å |
| 44 | I | 92.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -107.4 | 102.7 | 179.1 | -59 | -174.8 | 0 | 0 | 0 | 108.5 | F17 Y28 L41 L42 I63 F71 F72 F73 L156 | F17-I44 HydrophobicContact CZ-CD1 4.17Å; Y28-I44 HydrophobicContact CD1-CD1 3.44Å; Y28-I44 VanDerWaalsContact CD1-CD1 3.44Å; Y28-I44 HydrophobicContact CD1-CG1 4.28Å; Y28-I44 HydrophobicContact CE1-CD1 4.07Å; Y28-I44 HydrophobicContact CG-CD1 3.9Å; L41-I44 PolarHBondContact O-N 3.13Å; L42-I44 VanDerWaalsContact C-N 3.27Å; L42-I44 PolarHBondContact O-N 2.63Å; I44-I63 HydrophobicContact CG1-CD1 4.17Å; I44-F71 HydrophobicContact CD1-CB 4.3Å; I44-F71 HydrophobicContact CG1-CB 4.24Å; I44-F71 HydrophobicContact CG2-CB 4.35Å; I44-F72 VanDerWaalsContact CG2-C 3.49Å; I44-F73 HydrophobicContact CB-CD2 3.84Å; I44-F73 HydrophobicContact CB-CE2 3.66Å; I44-F73 HydrophobicContact CB-CZ 4.36Å; I44-F73 HydrophobicContact CD1-CE2 4.49Å; I44-F73 HydrophobicContact CD1-CZ 4.37Å; I44-F73 HydrophobicContact CG2-CB 4.46Å; I44-F73 HydrophobicContact CG2-CD1 4.39Å; I44-F73 HydrophobicContact CG2-CD2 3.51Å; I44-F73 HydrophobicContact CG2-CE2 3.73Å; I44-F73 HydrophobicContact CG2-CG 3.86Å; I44-F73 HydrophobicContact CG2-CZ 4.26Å; I44-F73 VanDerWaalsContact O-CD2 3.32Å; I44-F73 WeakPolarHBondContact O-CD2 3.48Å; I44-L156 HydrophobicContact CD1-CD1 3.91Å |
| 45 | P | 93.2 | Very high | 87.1 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | trans | -69.8 | 151.7 | -177.9 | 26.2 | -33.6 | 0 | 0 | 0 | 113.2 | L43 K60 L62 F72 F73 | L43-P45 WeakPolarHBondContact O-CD 3.41Å; P45-K60 WeakPolarHBondContact CG-O 3.41Å; P45-L62 HydrophobicContact CB-CD1 3.99Å; P45-L62 HydrophobicContact CB-CG 4.17Å; P45-L62 HydrophobicContact CG-CD1 4.34Å; P45-L62 HydrophobicContact CG-CG 4.06Å; P45-F72 HydrophobicContact CG-CD1 3.99Å; P45-F72 HydrophobicContact CG-CE1 4.28Å; P45-F72 WeakPolarHBondContact O-CA 3.35Å; P45-F73 PolarHBondContact O-N 3.08Å | ||
| 46 | D | 93.2 | Very high | 87.7 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -81.5 | 138 | 171.9 | -71.4 | 1.2 | 0 | 0 | 0 | 110.6 | K32 F73 | K32-D46 WeakPolarHBondContact CE-OD1 3.37Å; K32-D46 IonicContact NZ-OD1 3.36Å; K32-D46 PolarHBondContact NZ-OD1 2.97Å; K32-D46 IonicContact NZ-OD2 3.51Å; K32-D46 PolarHBondContact NZ-OD2 3.49Å; D46-F73 CarbonylContact C-O 3.59Å; D46-F73 WeakPolarHBondContact CA-O 3.49Å; D46-F73 WeakPolarHBondContact OD1-CB 3.31Å |
| 47 | V | 92.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | trans | -143.6 | 148.4 | -178.4 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | L49 C52 L57 K60 F72 F73 A74 | V47-L49 HydrophobicContact CG1-CD2 3.82Å; V47-L49 HydrophobicContact CG1-CG 4.3Å; V47-C52 VanDerWaalsContact CG2-SG 3.58Å; V47-L57 HydrophobicContact CG1-CD2 4.33Å; V47-L57 HydrophobicContact CG2-CD2 3.74Å; V47-K60 HydrophobicContact CG2-CD 4.45Å; V47-F72 HydrophobicContact CB-CB 4.49Å; V47-F72 HydrophobicContact CB-CD1 4.35Å; V47-F72 HydrophobicContact CG1-CB 3.66Å; V47-F72 HydrophobicContact CG1-CD1 4.18Å; V47-F72 HydrophobicContact CG1-CG 4.04Å; V47-F73 PolarHBondContact N-O 3.28Å; V47-A74 WeakPolarHBondContact O-CB 3.46Å | ||
| 48 | D | 89.7 | Confident | 89.5 | Confident | 80 Ų | 80 | 40.6 Ų | 40.6 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | trans | -90.8 | 107.6 | 162.8 | 179.6 | 0.4 | 0 | 0 | 0 | 110 | S50 A51 C52 | D48-S50 PolarHBondContact O-N 2.93Å; D48-S50 WeakPolarHBondContact OD1-CA 3.37Å; D48-S50 WeakPolarHBondContact OD1-CB 3.44Å; D48-S50 PolarHBondContact OD1-N 3.37Å; D48-S50 PolarHBondContact OD1-OG 3.11Å; D48-S50 PolarHBondContact OD2-OG 3Å; D48-A51 HydrophobicContact CB-CB 4.16Å; D48-A51 PolarHBondContact O-N 3.3Å; D48-C52 PolarHBondContact O-N 2.78Å; D48-C52 PolarHBondContact O-SG 3.17Å | ||
| 49 | L | 89.7 | Confident | 90.2 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.4 | 176.9 | -76 | -162.9 | 0 | 0 | 0 | 115.1 | V47 L57 M136 Y157 | V47-L49 HydrophobicContact CG1-CD2 3.82Å; V47-L49 HydrophobicContact CG1-CG 4.3Å; L49-L57 HydrophobicContact CD2-CD1 3.76Å; L49-L57 HydrophobicContact CD2-CD2 4.14Å; L49-M136 HydrophobicContact CD1-CE 3.58Å; L49-M136 HydrophobicContact CD1-SD 3.47Å; L49-M136 WeakPolarHBondContact CD1-SD 3.35Å; L49-M136 HydrophobicContact CD2-CE 3.74Å; L49-M136 HydrophobicContact CG-CE 4.35Å; L49-Y157 HydrophobicContact CD1-CD1 3.93Å; L49-Y157 HydrophobicContact CD1-CD2 3.5Å; L49-Y157 VanDerWaalsContact CD1-CD2 3.5Å; L49-Y157 HydrophobicContact CD1-CE1 3.68Å; L49-Y157 HydrophobicContact CD1-CE2 3.24Å; L49-Y157 HydrophobicContact CD1-CG 3.83Å; L49-Y157 HydrophobicContact CG-CD2 4.08Å; L49-Y157 HydrophobicContact CG-CE2 3.94Å |
| 50 | S | 87.3 | Confident | 90.8 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 26% | 0.259 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -24.9 | 174.5 | 76.2 | 0 | 0 | 0 | 0 | 112.2 | D48 N87 | D48-S50 PolarHBondContact O-N 2.93Å; D48-S50 WeakPolarHBondContact OD1-CA 3.37Å; D48-S50 WeakPolarHBondContact OD1-CB 3.44Å; D48-S50 PolarHBondContact OD1-N 3.37Å; D48-S50 PolarHBondContact OD1-OG 3.11Å; D48-S50 PolarHBondContact OD2-OG 3Å; S50-N87 WeakPolarHBondContact CB-ND2 3.49Å |
| 51 | A | 89.7 | Confident | 91.4 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -96.9 | -4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D48 | D48-A51 HydrophobicContact CB-CB 4.16Å; D48-A51 PolarHBondContact O-N 3.3Å |
| 52 | C | 92.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | trans | -122.4 | 134.9 | -177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | V47 D48 L57 K60 T90 | V47-C52 VanDerWaalsContact CG2-SG 3.58Å; D48-C52 PolarHBondContact O-N 2.78Å; D48-C52 PolarHBondContact O-SG 3.17Å; C52-L57 HydrophobicContact CB-CD2 3.66Å; C52-L57 HydrophobicContact CB-CG 4.19Å; C52-K60 PolarHBondContact SG-NZ 3.03Å; C52-T90 WeakPolarHBondContact O-CG2 3.46Å | ||
| 53 | E | 95.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | trans | -84.5 | 153.8 | 169.2 | -55.5 | -61.1 | 159.9 | 0 | 0 | 111.3 | W55 E56 L57 T90 A91 A92 F121 | E53-W55 VanDerWaalsContact C-N 3.28Å; E53-W55 HydrophobicContact CB-CD2 4.01Å; E53-W55 HydrophobicContact CB-CH2 3.85Å; E53-W55 HydrophobicContact CB-CZ2 3.32Å; E53-W55 HydrophobicContact CB-CZ3 4.42Å; E53-W55 HydrophobicContact CG-CH2 4.15Å; E53-W55 HydrophobicContact CG-CZ2 3.54Å; E53-W55 PolarHBondContact O-N 3.21Å; E53-E56 HydrophobicContact CB-CG 4.4Å; E53-E56 WeakPolarHBondContact CB-OE1 3.34Å; E53-E56 WeakPolarHBondContact CG-OE1 3.33Å; E53-E56 PolarHBondContact N-OE2 3.1Å; E53-E56 WeakPolarHBondContact O-CB 3.35Å; E53-E56 PolarHBondContact O-N 3.4Å; E53-L57 PolarHBondContact O-N 2.67Å; E53-T90 VanDerWaalsContact CD-CB 3.48Å; E53-T90 WeakPolarHBondContact OE1-CB 3.13Å; E53-T90 PolarHBondContact OE1-OG1 2.83Å; E53-T90 VanDerWaalsContact OE2-CB 3.3Å; E53-T90 WeakPolarHBondContact OE2-CB 3.25Å; E53-T90 PolarHBondContact OE2-OG1 3.21Å; E53-A91 WeakPolarHBondContact OE1-CA 3.37Å; E53-A91 PolarHBondContact OE1-N 2.97Å; E53-A92 HydrophobicContact CG-CB 4.28Å; E53-A92 PolarHBondContact OE1-N 3.21Å; E53-F121 WeakPolarHBondContact OE2-CZ 3.42Å | ||
| 54 | P | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.3 | -171 | 23.6 | -34.8 | 0 | 0 | 0 | 114.7 | E56 P58 W95 F121 W134 L159 | P54-E56 VanDerWaalsContact C-N 3.3Å; P54-E56 PolarHBondContact O-N 3.38Å; P54-P58 WeakPolarHBondContact O-CD 3.44Å; P54-W95 HydrophobicContact CB-CH2 3.8Å; P54-W95 HydrophobicContact CB-CZ2 3.78Å; P54-W95 HydrophobicContact CG-CH2 4.48Å; P54-W95 HydrophobicContact CG-CZ2 4.33Å; P54-F121 HydrophobicContact CG-CB 4.12Å; P54-F121 HydrophobicContact CG-CD1 3.75Å; P54-F121 HydrophobicContact CG-CD2 3.99Å; P54-F121 HydrophobicContact CG-CE1 4.1Å; P54-F121 HydrophobicContact CG-CE2 4.32Å; P54-F121 HydrophobicContact CG-CG 3.68Å; P54-F121 HydrophobicContact CG-CZ 4.36Å; P54-W134 HydrophobicContact CB-CB 3.87Å; P54-W134 HydrophobicContact CB-CD2 3.7Å; P54-W134 HydrophobicContact CB-CE3 3.98Å; P54-W134 HydrophobicContact CB-CG 3.64Å; P54-W134 HydrophobicContact CG-CB 4.09Å; P54-W134 HydrophobicContact CG-CD2 4.26Å; P54-W134 HydrophobicContact CG-CG 3.81Å; P54-L159 HydrophobicContact CB-CD1 4.25Å |
| 55 | W | 94.9 | Very high | 90.4 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11.2 | 175.4 | 51.7 | 77.6 | 0 | 0 | 0 | 113.7 | E53 A92 F121 W134 | E53-W55 VanDerWaalsContact C-N 3.28Å; E53-W55 HydrophobicContact CB-CD2 4.01Å; E53-W55 HydrophobicContact CB-CH2 3.85Å; E53-W55 HydrophobicContact CB-CZ2 3.32Å; E53-W55 HydrophobicContact CB-CZ3 4.42Å; E53-W55 HydrophobicContact CG-CH2 4.15Å; E53-W55 HydrophobicContact CG-CZ2 3.54Å; E53-W55 PolarHBondContact O-N 3.21Å; W55-A92 HydrophobicContact CH2-CB 4.03Å; W55-A92 HydrophobicContact CZ2-CB 4.15Å; W55-F121 AromaticContact CH2-CE1 3.98Å; W55-F121 HydrophobicContact CH2-CE1 3.98Å; W55-F121 HydrophobicContact CH2-CZ 4.32Å; W55-F121 HydrophobicContact CZ3-CD1 4.32Å; W55-F121 AromaticContact CZ3-CE1 3.76Å; W55-F121 HydrophobicContact CZ3-CE1 3.76Å; W55-F121 HydrophobicContact CZ3-CZ 4.42Å; W55-W134 HydrophobicContact CB-CZ2 3.87Å |
| 56 | E | 95.1 | Very high | 89.8 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -22.1 | 175.5 | -67.2 | 150.8 | -161.3 | 0 | 0 | 112.2 | E53 P54 | E53-E56 HydrophobicContact CB-CG 4.4Å; E53-E56 WeakPolarHBondContact CB-OE1 3.34Å; E53-E56 WeakPolarHBondContact CG-OE1 3.33Å; E53-E56 PolarHBondContact N-OE2 3.1Å; E53-E56 WeakPolarHBondContact O-CB 3.35Å; E53-E56 PolarHBondContact O-N 3.4Å; P54-E56 VanDerWaalsContact C-N 3.3Å; P54-E56 PolarHBondContact O-N 3.38Å |
| 57 | L | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -64.7 | -42.9 | -177.9 | -70.6 | 175.2 | 0 | 0 | 0 | 113.8 | V47 L49 C52 E53 A59 K60 A61 F72 M136 L159 | V47-L57 HydrophobicContact CG1-CD2 4.33Å; V47-L57 HydrophobicContact CG2-CD2 3.74Å; L49-L57 HydrophobicContact CD2-CD1 3.76Å; L49-L57 HydrophobicContact CD2-CD2 4.14Å; C52-L57 HydrophobicContact CB-CD2 3.66Å; C52-L57 HydrophobicContact CB-CG 4.19Å; E53-L57 PolarHBondContact O-N 2.67Å; L57-A59 VanDerWaalsContact C-N 3.25Å; L57-A59 PolarHBondContact O-N 2.74Å; L57-K60 WeakPolarHBondContact O-CA 3.36Å; L57-K60 WeakPolarHBondContact O-CB 2.97Å; L57-K60 PolarHBondContact O-N 3.27Å; L57-A61 PolarHBondContact O-N 2.88Å; L57-F72 HydrophobicContact CB-CE1 4.44Å; L57-F72 HydrophobicContact CB-CE2 3.98Å; L57-F72 HydrophobicContact CB-CZ 3.77Å; L57-F72 HydrophobicContact CD2-CE1 4.47Å; L57-F72 HydrophobicContact CD2-CZ 4.48Å; L57-F72 WeakPolarHBondContact O-CE1 3.35Å; L57-F72 WeakPolarHBondContact O-CZ 3.44Å; L57-M136 HydrophobicContact CD1-CE 4.07Å; L57-L159 HydrophobicContact CB-CD2 3.46Å; L57-L159 VanDerWaalsContact CB-CD2 3.46Å; L57-L159 HydrophobicContact CD1-CD1 4.35Å; L57-L159 HydrophobicContact CD1-CD2 3.82Å; L57-L159 HydrophobicContact CG-CD2 4.28Å |
| 58 | P | 93.5 | Very high | 89.3 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -51.6 | -41.3 | 177 | -30.8 | 36.5 | 0 | 0 | 0 | 113.9 | P54 K60 A61 W70 W134 L159 | P54-P58 WeakPolarHBondContact O-CD 3.44Å; P58-K60 PolarHBondContact O-N 3.34Å; P58-A61 WeakPolarHBondContact O-CB 3.41Å; P58-A61 PolarHBondContact O-N 2.63Å; P58-A61 VanDerWaalsContact O-N 3.15Å; P58-W70 HydrophobicContact CB-CD2 3.9Å; P58-W70 HydrophobicContact CB-CE3 4.39Å; P58-W70 HydrophobicContact CB-CG 4.36Å; P58-W70 HydrophobicContact CB-CH2 4.33Å; P58-W70 HydrophobicContact CB-CZ2 3.86Å; P58-W70 HydrophobicContact CG-CD2 3.86Å; P58-W70 HydrophobicContact CG-CE3 3.84Å; P58-W70 HydrophobicContact CG-CH2 3.99Å; P58-W70 HydrophobicContact CG-CZ2 4.03Å; P58-W70 HydrophobicContact CG-CZ3 3.9Å; P58-W134 HydrophobicContact CG-CH2 3.93Å; P58-W134 HydrophobicContact CG-CZ3 4.16Å; P58-L159 HydrophobicContact CG-CD2 4.44Å |
| 59 | A | 92.2 | Very high | 89.4 | Confident | 96 Ų | 96 | 55.8 Ų | 55.8 | 79% | 0.793 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -68 | -13 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L57 | L57-A59 VanDerWaalsContact C-N 3.25Å; L57-A59 PolarHBondContact O-N 2.74Å |
| 60 | K | 92.2 | Very high | 89.7 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -98.5 | -4.5 | 176.9 | -59.4 | -177.1 | -176 | -175.9 | 0 | 113 | P45 V47 C52 L57 P58 F72 | P45-K60 WeakPolarHBondContact CG-O 3.41Å; V47-K60 HydrophobicContact CG2-CD 4.45Å; C52-K60 PolarHBondContact SG-NZ 3.03Å; L57-K60 WeakPolarHBondContact O-CA 3.36Å; L57-K60 WeakPolarHBondContact O-CB 2.97Å; L57-K60 PolarHBondContact O-N 3.27Å; P58-K60 PolarHBondContact O-N 3.34Å; K60-F72 HydrophobicContact CB-CE1 4.3Å |
| 61 | A | 92 | Very high | 90.1 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -76.6 | 139.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L57 P58 W70 F72 | L57-A61 PolarHBondContact O-N 2.88Å; P58-A61 WeakPolarHBondContact O-CB 3.41Å; P58-A61 PolarHBondContact O-N 2.63Å; P58-A61 VanDerWaalsContact O-N 3.15Å; A61-W70 HydrophobicContact CB-CB 4.07Å; A61-W70 VanDerWaalsContact CB-CD1 3.49Å; A61-W70 HydrophobicContact CB-CG 4.09Å; A61-F72 HydrophobicContact CB-CE1 4.34Å; A61-F72 HydrophobicContact CB-CZ 4.22Å | ||
| 62 | L | 89.2 | Confident | 90.4 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | trans | -95.6 | -29 | 179.4 | -60.3 | 176.6 | 0 | 0 | 0 | 112.8 | L42 P45 R64 | L42-L62 VanDerWaalsContact O-CD1 3.31Å; L42-L62 WeakPolarHBondContact O-CD1 3.27Å; P45-L62 HydrophobicContact CB-CD1 3.99Å; P45-L62 HydrophobicContact CB-CG 4.17Å; P45-L62 HydrophobicContact CG-CD1 4.34Å; P45-L62 HydrophobicContact CG-CG 4.06Å; L62-R64 PolarHBondContact O-N 2.9Å; L62-R64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | I | 86 | Confident | 90.5 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | trans | -67.1 | 107.1 | 171.6 | -68 | 151.7 | 0 | 0 | 0 | 108.7 | F17 L43 I44 F71 | F17-I63 HydrophobicContact CB-CG2 3.87Å; F17-I63 HydrophobicContact CD1-CD1 3.75Å; F17-I63 HydrophobicContact CD1-CG2 4.45Å; F17-I63 HydrophobicContact CD2-CD1 4.2Å; F17-I63 HydrophobicContact CE1-CD1 3.69Å; F17-I63 HydrophobicContact CE2-CD1 4.12Å; F17-I63 HydrophobicContact CG-CD1 4.02Å; F17-I63 HydrophobicContact CG-CG2 4.19Å; F17-I63 HydrophobicContact CZ-CD1 3.9Å; L43-I63 HydrophobicContact CB-CD1 4.36Å; L43-I63 HydrophobicContact CB-CG1 4.03Å; L43-I63 WeakPolarHBondContact O-CG1 3.34Å; I44-I63 HydrophobicContact CG1-CD1 4.17Å; I63-F71 HydrophobicContact CD1-CB 4.25Å; I63-F71 HydrophobicContact CD1-CD2 4.37Å | ||
| 64 | R | 73.2 | Confident | 90.4 | Very high | 235 Ų | 235 | 51.3 Ų | 51.3 | 89% | 0.887 | 26% | 0.261 | S | S | * | . | trans | -82.3 | 110.9 | 173.1 | -62.5 | -82.4 | 170.3 | 94.8 | -1 | 108.2 | L62 | L62-R64 PolarHBondContact O-N 2.9Å; L62-R64 VanDerWaalsContact O-N 3.1Å | ||
| 65 | S | 77 | Confident | 90.1 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | trans | -150.3 | 157.5 | 174.6 | -158.1 | 0 | 0 | 0 | 0 | 110.4 | D67 | S65-D67 VanDerWaalsContact C-N 3.26Š| ||
| 66 | D | 80.9 | Confident | 89.6 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 67% | 0.674 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -83.5 | -4.4 | 172 | -23.7 | -73.3 | 0 | 0 | 0 | 111.7 | R16 | R16-D66 IonicContact CZ-OD2 3.98Å; R16-D66 IonicContact NE-OD2 3.33Å; R16-D66 IonicContact NH2-OD2 2.71Å; R16-D66 PolarHBondContact NH2-OD2 2.83Å |
| 67 | D | 84.6 | Confident | 88.8 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -68.7 | 130.3 | 169.2 | -72.6 | -15.5 | 0 | 0 | 0 | 109.7 | R16 R18 S65 E69 | R16-D67 VanDerWaalsContact CD-OD1 3.28Å; R16-D67 WeakPolarHBondContact CD-OD1 3.46Å; R16-D67 WeakPolarHBondContact CD-OD2 3.17Å; R16-D67 IonicContact CZ-OD1 2.66Å; R16-D67 IonicContact NE-OD1 3.85Å; R16-D67 IonicContact NH1-OD1 3.59Å; R16-D67 PolarHBondContact NH1-OD1 2.99Å; R18-D67 WeakPolarHBondContact CG-OD2 3.41Å; R18-D67 IonicContact CZ-OD1 2.86Å; R18-D67 IonicContact CZ-OD2 3.54Å; R18-D67 IonicContact NE-OD1 2.75Å; R18-D67 IonicContact NE-OD2 3.54Å; R18-D67 PolarHBondContact NE-OD2 3.13Å; R18-D67 IonicContact NH2-OD1 2.63Å; R18-D67 PolarHBondContact NH2-OD1 2.89Å; R18-D67 IonicContact NH2-OD2 3.84Å; S65-D67 VanDerWaalsContact C-N 3.26Å; D67-E69 PolarHBondContact O-N 2.88Å |
| 68 | P | 89.7 | Confident | 87.9 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 25% | 0.247 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -77.2 | 45.8 | -179.7 | 33.4 | -37.2 | 0 | 0 | 0 | 112.6 | W70 F160 E164 E165 | P68-W70 HydrophobicContact CB-CH2 4.31Å; P68-W70 WeakPolarHBondContact O-CZ3 3.42Å; P68-F160 WeakPolarHBondContact O-CA 3.47Å; P68-F160 WeakPolarHBondContact O-CB 3.31Å; P68-E164 HydrophobicContact CB-CB 4.15Å; P68-E165 HydrophobicContact CG-CG 4.39Å |
| 69 | E | 93.6 | Very high | 87.1 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.8 | -174.4 | -58.4 | -156 | 108 | 0 | 0 | 112 | D67 F71 R158 L159 F160 | D67-E69 PolarHBondContact O-N 2.88Å; E69-F71 HydrophobicContact CB-CE2 4.17Å; E69-R158 VanDerWaalsContact CD-NE 3.33Å; E69-R158 IonicContact OE1-CZ 3.86Å; E69-R158 IonicContact OE1-NE 3.64Å; E69-R158 PolarHBondContact OE1-NE 2.88Å; E69-R158 IonicContact OE1-NH2 2.72Å; E69-R158 PolarHBondContact OE1-NH2 3.5Å; E69-R158 IonicContact OE2-CZ 2.63Å; E69-R158 IonicContact OE2-NE 3.74Å; E69-R158 PolarHBondContact OE2-NE 3.45Å; E69-R158 IonicContact OE2-NH2 2.7Å; E69-R158 PolarHBondContact OE2-NH2 3.1Å; E69-L159 WeakPolarHBondContact CA-O 3.49Å; E69-F160 HydrophobicContact CG-CB 4.15Å |
| 70 | W | 95.2 | Very high | 86.4 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142 | -175.9 | -53 | -79.2 | 0 | 0 | 0 | 112 | P58 A61 P68 F72 W134 R158 L159 E164 | P58-W70 HydrophobicContact CB-CD2 3.9Å; P58-W70 HydrophobicContact CB-CE3 4.39Å; P58-W70 HydrophobicContact CB-CG 4.36Å; P58-W70 HydrophobicContact CB-CH2 4.33Å; P58-W70 HydrophobicContact CB-CZ2 3.86Å; P58-W70 HydrophobicContact CG-CD2 3.86Å; P58-W70 HydrophobicContact CG-CE3 3.84Å; P58-W70 HydrophobicContact CG-CH2 3.99Å; P58-W70 HydrophobicContact CG-CZ2 4.03Å; P58-W70 HydrophobicContact CG-CZ3 3.9Å; A61-W70 HydrophobicContact CB-CB 4.07Å; A61-W70 VanDerWaalsContact CB-CD1 3.49Å; A61-W70 HydrophobicContact CB-CG 4.09Å; P68-W70 HydrophobicContact CB-CH2 4.31Å; P68-W70 WeakPolarHBondContact O-CZ3 3.42Å; W70-F72 HydrophobicContact CB-CE2 3.54Å; W70-F72 HydrophobicContact CB-CZ 3.64Å; W70-W134 HydrophobicContact CE3-CZ3 4.48Å; W70-W134 HydrophobicContact CZ3-CH2 4.35Å; W70-W134 AromaticContact CZ3-CZ3 3.86Å; W70-W134 HydrophobicContact CZ3-CZ3 3.86Å; W70-R158 CarbonylContact O-C 3.55Å; W70-R158 WeakPolarHBondContact O-CA 3.33Å; W70-L159 HydrophobicContact CE3-CD2 4.02Å; W70-L159 HydrophobicContact CE3-CG 4.21Å; W70-L159 PolarHBondContact N-O 2.81Å; W70-L159 PolarHBondContact O-N 2.97Å; W70-E164 WeakPolarHBondContact CH2-OE2 3.46Å |
| 71 | F | 96 | Very high | 85.3 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.8 | -171.1 | -64.2 | -99.2 | 0 | 0 | 0 | 110.8 | F17 P19 L24 I44 I63 E69 Y157 R158 | F17-F71 AromaticContact CD1-CD2 3.74Å; F17-F71 HydrophobicContact CD1-CD2 3.74Å; F17-F71 AromaticContact CD1-CE2 3.6Å; F17-F71 HydrophobicContact CD1-CE2 3.6Å; F17-F71 HydrophobicContact CD1-CG 4.3Å; F17-F71 HydrophobicContact CD1-CZ 4.02Å; F17-F71 HydrophobicContact CE1-CB 4.41Å; F17-F71 AromaticContact CE1-CD1 3.88Å; F17-F71 HydrophobicContact CE1-CD1 3.88Å; F17-F71 AromaticContact CE1-CD2 3.64Å; F17-F71 HydrophobicContact CE1-CD2 3.64Å; F17-F71 AromaticContact CE1-CE1 3.97Å; F17-F71 HydrophobicContact CE1-CE1 3.97Å; F17-F71 AromaticContact CE1-CE2 3.77Å; F17-F71 HydrophobicContact CE1-CE2 3.77Å; F17-F71 AromaticContact CE1-CG 3.71Å; F17-F71 HydrophobicContact CE1-CG 3.71Å; F17-F71 AromaticContact CE1-CZ 3.93Å; F17-F71 HydrophobicContact CE1-CZ 3.93Å; P19-F71 HydrophobicContact CG-CE1 4.1Å; P19-F71 HydrophobicContact CG-CZ 4.29Å; L24-F71 HydrophobicContact CD1-CE1 4.16Å; L24-F71 HydrophobicContact CD2-CD1 3.96Å; L24-F71 HydrophobicContact CD2-CE1 3.87Å; I44-F71 HydrophobicContact CD1-CB 4.3Å; I44-F71 HydrophobicContact CG1-CB 4.24Å; I44-F71 HydrophobicContact CG2-CB 4.35Å; I63-F71 HydrophobicContact CD1-CB 4.25Å; I63-F71 HydrophobicContact CD1-CD2 4.37Å; E69-F71 HydrophobicContact CB-CE2 4.17Å; F71-Y157 WeakPolarHBondContact CA-O 3.42Å; F71-R158 HydrophobicContact CD1-CB 4.01Å; F71-R158 HydrophobicContact CD1-CG 4.25Å; F71-R158 HydrophobicContact CE1-CB 3.8Å; F71-R158 HydrophobicContact CE1-CG 3.66Å; F71-R158 HydrophobicContact CE2-CG 4.5Å; F71-R158 HydrophobicContact CZ-CB 4.43Å; F71-R158 HydrophobicContact CZ-CG 3.79Å |
| 72 | F | 96 | Very high | 84.3 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.6 | -178.3 | -50.5 | -86.3 | 0 | 0 | 0 | 111.3 | I44 P45 V47 L57 K60 A61 W70 L156 Y157 L159 | I44-F72 VanDerWaalsContact CG2-C 3.49Å; P45-F72 HydrophobicContact CG-CD1 3.99Å; P45-F72 HydrophobicContact CG-CE1 4.28Å; P45-F72 WeakPolarHBondContact O-CA 3.35Å; V47-F72 HydrophobicContact CB-CB 4.49Å; V47-F72 HydrophobicContact CB-CD1 4.35Å; V47-F72 HydrophobicContact CG1-CB 3.66Å; V47-F72 HydrophobicContact CG1-CD1 4.18Å; V47-F72 HydrophobicContact CG1-CG 4.04Å; L57-F72 HydrophobicContact CB-CE1 4.44Å; L57-F72 HydrophobicContact CB-CE2 3.98Å; L57-F72 HydrophobicContact CB-CZ 3.77Å; L57-F72 HydrophobicContact CD2-CE1 4.47Å; L57-F72 HydrophobicContact CD2-CZ 4.48Å; L57-F72 WeakPolarHBondContact O-CE1 3.35Å; L57-F72 WeakPolarHBondContact O-CZ 3.44Å; K60-F72 HydrophobicContact CB-CE1 4.3Å; A61-F72 HydrophobicContact CB-CE1 4.34Å; A61-F72 HydrophobicContact CB-CZ 4.22Å; W70-F72 HydrophobicContact CB-CE2 3.54Å; W70-F72 HydrophobicContact CB-CZ 3.64Å; F72-L156 CarbonylContact O-C 3.49Å; F72-L156 WeakPolarHBondContact O-CA 3.25Å; F72-Y157 PolarHBondContact N-O 2.78Å; F72-Y157 PolarHBondContact O-N 3.11Å; F72-L159 HydrophobicContact CE2-CB 4.12Å; F72-L159 HydrophobicContact CE2-CD2 4.13Å |
| 73 | F | 95.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 150.6 | 161.4 | -75.6 | -55.1 | 0 | 0 | 0 | 109.6 | L29 K32 L41 I44 P45 D46 V47 F154 V155 L156 | L29-F73 HydrophobicContact CD1-CD1 4.41Å; L29-F73 HydrophobicContact CD1-CE1 4.26Å; K32-F73 HydrophobicContact CB-CD1 4.38Å; K32-F73 HydrophobicContact CB-CE1 3.81Å; K32-F73 HydrophobicContact CB-CE2 4.15Å; K32-F73 HydrophobicContact CB-CZ 3.68Å; K32-F73 HydrophobicContact CD-CD2 3.78Å; K32-F73 HydrophobicContact CD-CE2 3.82Å; K32-F73 HydrophobicContact CD-CG 4.18Å; K32-F73 HydrophobicContact CD-CZ 4.25Å; K32-F73 HydrophobicContact CG-CD1 3.95Å; K32-F73 HydrophobicContact CG-CD2 4.06Å; K32-F73 HydrophobicContact CG-CE1 3.89Å; K32-F73 HydrophobicContact CG-CE2 4.01Å; K32-F73 HydrophobicContact CG-CG 4.05Å; K32-F73 HydrophobicContact CG-CZ 3.93Å; L41-F73 HydrophobicContact CB-CE2 4.42Å; L41-F73 HydrophobicContact CD2-CE2 4.38Å; L41-F73 HydrophobicContact CD2-CZ 4.11Å; I44-F73 HydrophobicContact CB-CD2 3.84Å; I44-F73 HydrophobicContact CB-CE2 3.66Å; I44-F73 HydrophobicContact CB-CZ 4.36Å; I44-F73 HydrophobicContact CD1-CE2 4.49Å; I44-F73 HydrophobicContact CD1-CZ 4.37Å; I44-F73 HydrophobicContact CG2-CB 4.46Å; I44-F73 HydrophobicContact CG2-CD1 4.39Å; I44-F73 HydrophobicContact CG2-CD2 3.51Å; I44-F73 HydrophobicContact CG2-CE2 3.73Å; I44-F73 HydrophobicContact CG2-CG 3.86Å; I44-F73 HydrophobicContact CG2-CZ 4.26Å; I44-F73 VanDerWaalsContact O-CD2 3.32Å; I44-F73 WeakPolarHBondContact O-CD2 3.48Å; P45-F73 PolarHBondContact O-N 3.08Å; D46-F73 CarbonylContact C-O 3.59Å; D46-F73 WeakPolarHBondContact CA-O 3.49Å; D46-F73 WeakPolarHBondContact OD1-CB 3.31Å; V47-F73 PolarHBondContact N-O 3.28Å; F73-F154 HydrophobicContact CB-CD1 3.88Å; F73-F154 HydrophobicContact CB-CE1 4.08Å; F73-F154 HydrophobicContact CG-CD1 4.5Å; F73-V155 WeakPolarHBondContact CA-O 3.28Å; F73-L156 HydrophobicContact CD1-CB 4.1Å; F73-L156 HydrophobicContact CD1-CD1 4.4Å; F73-L156 HydrophobicContact CD1-CG 4.46Å; F73-L156 HydrophobicContact CE1-CB 4.12Å; F73-L156 HydrophobicContact CE1-CD1 3.81Å; F73-L156 HydrophobicContact CE1-CG 4.33Å; F73-L156 HydrophobicContact CZ-CD1 4.35Å |
| 74 | A | 92.6 | Very high | 82.7 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V47 F154 V155 Y157 | V47-A74 WeakPolarHBondContact O-CB 3.46Å; A74-F154 CarbonylContact O-C 3.58Å; A74-F154 WeakPolarHBondContact O-CA 3.36Å; A74-F154 WeakPolarHBondContact O-CD1 3.47Å; A74-V155 HydrophobicContact CB-CG2 4.15Å; A74-V155 PolarHBondContact N-O 3.02Å; A74-V155 WeakPolarHBondContact O-CG2 3.44Å; A74-V155 PolarHBondContact O-N 2.75Å; A74-Y157 HydrophobicContact CB-CD2 4.1Å; A74-Y157 HydrophobicContact CB-CE2 3.81Å |
| 75 | P | 88.6 | Confident | 82.9 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 145.1 | 162.1 | -22.6 | 34 | 0 | 0 | 0 | 110.8 | D77 F154 | P75-D77 PolarHBondContact O-N 3.45Å; P75-F154 HydrophobicContact CG-CE1 4.49Å |
| 76 | L | 85.3 | Confident | 83.1 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | trans | -73.2 | 74.7 | 174 | -179.5 | 65.1 | 0 | 0 | 0 | 110.3 | R78 S153 V155 | L76-R78 HydrophobicContact CG-CG 4.42Å; L76-R78 PolarHBondContact O-N 3.47Å; L76-R78 VanDerWaalsContact O-N 3.13Å; L76-S153 VanDerWaalsContact CB-O 3.24Å; L76-S153 WeakPolarHBondContact CB-O 3.35Å; L76-S153 PolarHBondContact N-O 2.86Å; L76-V155 HydrophobicContact CB-CG1 4.38Å; L76-V155 HydrophobicContact CD1-CG1 3.68Å | ||
| 77 | D | 77.7 | Confident | 83.2 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | trans | -58.3 | 117.6 | 171.6 | 179.9 | -12.4 | 0 | 0 | 0 | 109 | P75 S86 N87 | P75-D77 PolarHBondContact O-N 3.45Å; D77-S86 WeakPolarHBondContact O-CA 3.4Å; D77-S86 WeakPolarHBondContact O-CB 3.45Å; D77-N87 HydrophobicContact CB-CB 4.15Å; D77-N87 PolarHBondContact O-N 2.71Å; D77-N87 WeakPolarHBondContact OD1-CB 3.18Å; D77-N87 WeakPolarHBondContact OD2-CB 3.46Å; D77-N87 PolarHBondContact OD2-ND2 3.47Å | ||
| 78 | R | 76.3 | Confident | 83.5 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -101.3 | 117.9 | 174.3 | -65 | 175.2 | 178.6 | -177.3 | -2.8 | 108.4 | L76 Y80 G83 | L76-R78 HydrophobicContact CG-CG 4.42Å; L76-R78 PolarHBondContact O-N 3.47Å; L76-R78 VanDerWaalsContact O-N 3.13Å; R78-Y80 WeakPolarHBondContact CB-O 3.24Å; R78-Y80 CarbonylContact O-C 3.48Å; R78-Y80 PolarHBondContact O-N 3.21Å; R78-G83 WeakPolarHBondContact CD-O 3.4Å; R78-G83 WeakPolarHBondContact CG-O 3.33Å |
| 79 | K | 76.1 | Confident | 83.6 | Confident | 96 Ų | 96 | 64 Ų | 64 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -53.9 | -19 | -179 | -157 | -148.8 | 168.9 | -160.5 | 0 | 114.3 | R85 | K79-R85 WeakPolarHBondContact CB-O 3.29Å; K79-R85 PolarHBondContact N-O 2.83Å |
| 80 | Y | 76.3 | Confident | 83.6 | Confident | 133 Ų | 133 | 63.5 Ų | 63.5 | 52% | 0.522 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -141 | 144 | 169.6 | -55.4 | -72.7 | 0 | 0 | 0 | 108.8 | R78 G82 G83 | R78-Y80 WeakPolarHBondContact CB-O 3.24Å; R78-Y80 CarbonylContact O-C 3.48Å; R78-Y80 PolarHBondContact O-N 3.21Å; Y80-G82 PolarHBondContact O-N 2.82Å; Y80-G83 WeakPolarHBondContact O-CA 3.32Å; Y80-G83 PolarHBondContact O-N 3.13Å |
| 81 | P | 70.8 | Confident | 83.6 | Confident | 140 Ų | 140 | 66.7 Ų | 66.7 | 91% | 0.909 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 123.8 | 168.6 | -27.1 | 35.9 | 0 | 0 | 0 | 111.2 | G83 | P81-G83 VanDerWaalsContact C-N 3.26Å; P81-G83 PolarHBondContact O-N 3.35Å |
| 82 | G | 69.2 | Low | 83.6 | Confident | 61 Ų | 61 | 68 Ų | 68 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -5.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y80 | Y80-G82 PolarHBondContact O-N 2.82Š|
| 83 | G | 72.6 | Confident | 83.6 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 19% | 0.186 | 38% | 0.379 | C | S | . | . | trans | -74.9 | 142.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R78 Y80 P81 | R78-G83 WeakPolarHBondContact CD-O 3.4Å; R78-G83 WeakPolarHBondContact CG-O 3.33Å; Y80-G83 WeakPolarHBondContact O-CA 3.32Å; Y80-G83 PolarHBondContact O-N 3.13Å; P81-G83 VanDerWaalsContact C-N 3.26Å; P81-G83 PolarHBondContact O-N 3.35Å | ||
| 84 | H | 70.9 | Confident | 83.7 | Confident | 170 Ų | 170 | 69.8 Ų | 69.8 | 79% | 0.787 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -82.5 | -18.7 | 175.9 | -76.7 | 59.8 | 0 | 0 | 0 | 113.8 | R140 | H84-R140 PolarHBondContact O-NH1 2.85Š|
| 85 | R | 75.7 | Confident | 83.9 | Confident | 181 Ų | 181 | 70.1 Ų | 70.1 | 68% | 0.683 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -80.1 | 121 | 179.7 | 178.8 | 173.8 | -178.9 | 162.4 | 2.4 | 109.6 | K79 | K79-R85 WeakPolarHBondContact CB-O 3.29Å; K79-R85 PolarHBondContact N-O 2.83Å |
| 86 | S | 81.4 | Confident | 84.2 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 4% | 0.035 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -70.8 | 155 | 173.8 | 35.2 | 0 | 0 | 0 | 0 | 112.5 | D77 R88 E138 R140 | D77-S86 WeakPolarHBondContact O-CA 3.4Å; D77-S86 WeakPolarHBondContact O-CB 3.45Å; S86-R88 PolarHBondContact OG-NE 2.92Å; S86-R88 PolarHBondContact OG-NH2 3.2Å; S86-E138 PolarHBondContact OG-OE2 3.32Å; S86-R140 PolarHBondContact OG-NH2 3.21Å |
| 87 | N | 83.7 | Confident | 84.6 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 143.6 | 162.4 | -172 | 12.8 | 0 | 0 | 0 | 109.5 | S50 D77 S89 | S50-N87 WeakPolarHBondContact CB-ND2 3.49Å; D77-N87 HydrophobicContact CB-CB 4.15Å; D77-N87 PolarHBondContact O-N 2.71Å; D77-N87 WeakPolarHBondContact OD1-CB 3.18Å; D77-N87 WeakPolarHBondContact OD2-CB 3.46Å; D77-N87 PolarHBondContact OD2-ND2 3.47Å; N87-S89 PolarHBondContact OD1-N 2.78Å |
| 88 | R | 89.8 | Confident | 85.5 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 16% | 0.158 | 40% | 0.397 | C | S | . | . | trans | -156.6 | 14.5 | -169.2 | -77.9 | -160.8 | -173.9 | 139 | 8 | 113.2 | S86 Y94 W95 L119 E138 | S86-R88 PolarHBondContact OG-NE 2.92Å; S86-R88 PolarHBondContact OG-NH2 3.2Å; R88-Y94 CarbonylContact O-C 3.37Å; R88-Y94 WeakPolarHBondContact O-CA 3.42Å; R88-Y94 WeakPolarHBondContact O-CB 3.42Å; R88-W95 HydrophobicContact CB-CB 3.99Å; R88-W95 VanDerWaalsContact CD-O 3.31Å; R88-W95 WeakPolarHBondContact CD-O 3.39Å; R88-W95 HydrophobicContact CG-CB 4.11Å; R88-W95 PolarHBondContact O-N 2.9Å; R88-L119 VanDerWaalsContact CZ-CD2 3.42Å; R88-E138 IonicContact CZ-OE2 2.66Å; R88-E138 IonicContact NE-OE2 3.12Å; R88-E138 IonicContact NH2-OE1 2.7Å; R88-E138 PolarHBondContact NH2-OE1 2.82Å; R88-E138 IonicContact NH2-OE2 3.17Å; R88-E138 PolarHBondContact NH2-OE2 3.34Å | ||
| 89 | S | 93.2 | Very high | 86.3 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 48% | 0.483 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -95.4 | 141.7 | 171.6 | -61.7 | 0 | 0 | 0 | 0 | 108.8 | N87 | N87-S89 PolarHBondContact OD1-N 2.78Å |
| 90 | T | 94.2 | Very high | 87.3 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | trans | -113.2 | -173.7 | 167.8 | 66.2 | 0 | 0 | 0 | 0 | 108.7 | C52 E53 G93 F121 | C52-T90 WeakPolarHBondContact O-CG2 3.46Å; E53-T90 VanDerWaalsContact CD-CB 3.48Å; E53-T90 WeakPolarHBondContact OE1-CB 3.13Å; E53-T90 PolarHBondContact OE1-OG1 2.83Å; E53-T90 VanDerWaalsContact OE2-CB 3.3Å; E53-T90 WeakPolarHBondContact OE2-CB 3.25Å; E53-T90 PolarHBondContact OE2-OG1 3.21Å; T90-G93 PolarHBondContact N-O 3.39Å; T90-G93 PolarHBondContact OG1-N 2.85Å; T90-G93 PolarHBondContact OG1-O 3.15Å; T90-F121 HydrophobicContact CG2-CE2 3.97Å; T90-F121 WeakPolarHBondContact OG1-CE2 3.47Å; T90-F121 WeakPolarHBondContact OG1-CZ 3.4Å | ||
| 91 | A | 94.4 | Very high | 88.2 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 88% | 0.884 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -71.5 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E53 | E53-A91 WeakPolarHBondContact OE1-CA 3.37Å; E53-A91 PolarHBondContact OE1-N 2.97Å |
| 92 | A | 95.8 | Very high | 89.5 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 26% | 0.264 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -96.7 | -7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E53 W55 G124 | E53-A92 HydrophobicContact CG-CB 4.28Å; E53-A92 PolarHBondContact OE1-N 3.21Å; W55-A92 HydrophobicContact CH2-CB 4.03Å; W55-A92 HydrophobicContact CZ2-CB 4.15Å; A92-G124 PolarHBondContact O-N 3.37Å |
| 93 | G | 96.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 74.3 Ų | 74.3 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | -151 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | T90 F121 H122 | T90-G93 PolarHBondContact N-O 3.39Å; T90-G93 PolarHBondContact OG1-N 2.85Å; T90-G93 PolarHBondContact OG1-O 3.15Å; G93-F121 VanDerWaalsContact CA-CZ 3.5Å; G93-H122 CarbonylContact C-O 3.54Å; G93-H122 WeakPolarHBondContact CA-O 3.37Å |
| 94 | Y | 96.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 73.9 Ų | 73.9 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 149.6 | 178.8 | 61.8 | -80.6 | 0 | 0 | 0 | 113.7 | R88 K96 H122 G124 A126 P127 G129 | R88-Y94 CarbonylContact O-C 3.37Å; R88-Y94 WeakPolarHBondContact O-CA 3.42Å; R88-Y94 WeakPolarHBondContact O-CB 3.42Å; Y94-K96 HydrophobicContact CD2-CB 4.41Å; Y94-K96 HydrophobicContact CE2-CB 4.2Å; Y94-H122 HydrophobicContact CD1-CB 4.08Å; Y94-H122 HydrophobicContact CD2-CB 4.2Å; Y94-H122 HydrophobicContact CE1-CB 3.64Å; Y94-H122 HydrophobicContact CE2-CB 3.77Å; Y94-H122 HydrophobicContact CG-CB 4.35Å; Y94-H122 VanDerWaalsContact CZ-CB 3.47Å; Y94-H122 AromaticContact CZ-CG 3.93Å; Y94-H122 PolarHBondContact N-O 3.1Å; Y94-H122 PolarHBondContact O-N 2.78Å; Y94-G124 WeakPolarHBondContact CD1-O 3.13Å; Y94-G124 VanDerWaalsContact CE1-O 3.28Å; Y94-G124 WeakPolarHBondContact CE1-O 3.44Å; Y94-A126 HydrophobicContact CD1-CB 3.69Å; Y94-A126 HydrophobicContact CD2-CB 4.21Å; Y94-A126 HydrophobicContact CE1-CB 3.55Å; Y94-A126 HydrophobicContact CE2-CB 4.1Å; Y94-A126 HydrophobicContact CG-CB 4.01Å; Y94-P127 PolarHBondContact OH-O 3.04Å; Y94-G129 PolarHBondContact OH-N 3.02Å |
| 95 | W | 96.2 | Very high | 93 | Very high | 10 Ų | 10 | 73.3 Ų | 73.3 | 4% | 0.038 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.8 | 174.3 | -65.5 | 99.5 | 0 | 0 | 0 | 111.7 | P54 R88 L119 F121 M136 L159 | P54-W95 HydrophobicContact CB-CH2 3.8Å; P54-W95 HydrophobicContact CB-CZ2 3.78Å; P54-W95 HydrophobicContact CG-CH2 4.48Å; P54-W95 HydrophobicContact CG-CZ2 4.33Å; R88-W95 HydrophobicContact CB-CB 3.99Å; R88-W95 VanDerWaalsContact CD-O 3.31Å; R88-W95 WeakPolarHBondContact CD-O 3.39Å; R88-W95 HydrophobicContact CG-CB 4.11Å; R88-W95 PolarHBondContact O-N 2.9Å; W95-L119 HydrophobicContact CB-CB 4.43Å; W95-L119 HydrophobicContact CB-CD1 4.27Å; W95-L119 HydrophobicContact CE3-CB 3.96Å; W95-F121 HydrophobicContact CD2-CB 4.3Å; W95-F121 AromaticContact CD2-CD2 3.96Å; W95-F121 HydrophobicContact CD2-CD2 3.96Å; W95-F121 AromaticContact CE2-CD2 3.78Å; W95-F121 HydrophobicContact CE3-CB 3.89Å; W95-F121 HydrophobicContact CE3-CD2 4.4Å; W95-F121 HydrophobicContact CG-CD2 4.32Å; W95-F121 HydrophobicContact CH2-CB 3.98Å; W95-F121 HydrophobicContact CZ2-CB 4.38Å; W95-F121 HydrophobicContact CZ2-CD2 4.1Å; W95-F121 HydrophobicContact CZ3-CB 3.72Å; W95-F121 AromaticContact NE1-CD2 3.99Å; W95-M136 HydrophobicContact CD2-SD 4.19Å; W95-M136 HydrophobicContact CE3-CB 3.97Å; W95-M136 HydrophobicContact CE3-SD 4.26Å; W95-M136 HydrophobicContact CH2-CB 3.82Å; W95-M136 HydrophobicContact CH2-CE 3.68Å; W95-M136 HydrophobicContact CH2-SD 4.23Å; W95-M136 HydrophobicContact CZ2-CE 3.44Å; W95-M136 VanDerWaalsContact CZ2-CE 3.44Å; W95-M136 HydrophobicContact CZ2-SD 4.16Å; W95-M136 HydrophobicContact CZ3-CB 3.43Å; W95-M136 VanDerWaalsContact CZ3-CB 3.43Å; W95-M136 HydrophobicContact CZ3-CE 4.32Å; W95-M136 HydrophobicContact CZ3-CG 4.47Å; W95-M136 HydrophobicContact CZ3-SD 4.28Å; W95-L159 HydrophobicContact CH2-CD1 3.69Å; W95-L159 HydrophobicContact CZ2-CD1 4.36Å |
| 96 | K | 95 | Very high | 93.8 | Very high | 115 Ų | 115 | 65.6 Ų | 65.6 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.3 | 176.2 | -170.1 | -174.1 | 177.6 | -174.6 | 0 | 110.1 | Y94 L119 V120 H122 | Y94-K96 HydrophobicContact CD2-CB 4.41Å; Y94-K96 HydrophobicContact CE2-CB 4.2Å; K96-L119 CarbonylContact O-C 3.59Å; K96-L119 WeakPolarHBondContact O-CA 3.26Å; K96-V120 PolarHBondContact N-O 3.33Å; K96-V120 PolarHBondContact O-N 2.87Å; K96-H122 WeakPolarHBondContact CD-NE2 3.42Å |
| 97 | A | 95 | Very high | 94 | Very high | 50 Ų | 50 | 73 Ų | 73 | 41% | 0.413 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 142.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L119 | A97-L119 HydrophobicContact CB-CD2 3.96Å |
| 98 | T | 95.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 77.3 Ų | 77.3 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 155.2 | 178.7 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | T118 V120 | T98-T118 HydrophobicContact CG2-CG2 3.66Å; T98-T118 PolarHBondContact N-O 3.49Å; T98-V120 HydrophobicContact CG2-CG2 3.63Å |
| 99 | G | 94.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 78.7 Ų | 78.7 | 79% | 0.794 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 67.1 | -164.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 100 | K | 95.9 | Very high | 93.2 | Very high | 192 Ų | 192 | 77.2 Ų | 77.2 | 84% | 0.835 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.8 | 173.1 | -179.6 | -174.4 | 174.6 | -175.3 | 0 | 108.9 | R102 | K100-R102 PolarHBondContact O-N 3.22Å |
| 101 | D | 96.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 80.3 Ų | 80.3 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 129.3 | 173 | -71.6 | 0.8 | 0 | 0 | 0 | 111.3 | V115 K117 | D101-V115 HydrophobicContact CB-CG1 3.81Å; D101-K117 WeakPolarHBondContact OD1-CG 3.47Å; D101-K117 IonicContact OD1-NZ 3.21Å; D101-K117 PolarHBondContact OD1-NZ 3.2Å; D101-K117 IonicContact OD2-NZ 3.96Å; D101-K117 PolarHBondContact OD2-NZ 3.15Å |
| 102 | R | 97 | Very high | 93.1 | Very high | 148 Ų | 148 | 79 Ų | 79 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.1 | 175.2 | -72.4 | 177.5 | 61.3 | 171.8 | -2.9 | 109.1 | D21 K100 V115 K116 | D21-R102 IonicContact OD2-CZ 2.64Å; D21-R102 IonicContact OD2-NH2 3.75Å; K100-R102 PolarHBondContact O-N 3.22Å; R102-V115 WeakPolarHBondContact O-CA 3.42Å; R102-K116 HydrophobicContact CB-CB 4.24Å; R102-K116 PolarHBondContact N-O 3.18Å; R102-K116 PolarHBondContact O-N 3.2Å |
| 103 | L | 96.6 | Very high | 93 | Very high | 106 Ų | 106 | 77.7 Ų | 77.7 | 56% | 0.555 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.6 | 172.4 | -60.1 | -175.1 | 0 | 0 | 0 | 109.5 | L112 V115 | L103-L112 HydrophobicContact CB-CD1 3.7Å; L103-L112 HydrophobicContact CD1-CD1 4.31Å; L103-L112 HydrophobicContact CD2-CD1 3.99Å; L103-L112 HydrophobicContact CG-CD1 4.2Å; L103-V115 HydrophobicContact CD2-CG2 4.12Å |
| 104 | I | 96.5 | Very high | 93 | Very high | 9 Ų | 9 | 77.3 Ų | 77.3 | 5% | 0.046 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.6 | 178.2 | -49.5 | 168.7 | 0 | 0 | 0 | 107.5 | D21 V25 I113 G114 K116 Y139 | D21-I104 HydrophobicContact CB-CD1 4.48Å; D21-I104 HydrophobicContact CB-CG1 4.43Å; D21-I104 HydrophobicContact CB-CG2 4.36Å; D21-I104 WeakPolarHBondContact O-CG2 3.27Å; V25-I104 HydrophobicContact CG2-CD1 3.57Å; V25-I104 HydrophobicContact CG2-CG2 4.37Å; I104-I113 HydrophobicContact CB-CG1 4.32Å; I104-I113 HydrophobicContact CG2-CD1 3.95Å; I104-I113 HydrophobicContact CG2-CG1 3.92Å; I104-I113 VanDerWaalsContact O-CG1 3.31Å; I104-I113 WeakPolarHBondContact O-CG1 3.06Å; I104-I113 PolarHBondContact O-N 3.21Å; I104-G114 PolarHBondContact N-O 3.3Å; I104-G114 PolarHBondContact O-N 2.72Å; I104-K116 HydrophobicContact CD1-CB 4Å; I104-K116 HydrophobicContact CG1-CB 4.22Å; I104-Y139 HydrophobicContact CD1-CD1 3.75Å; I104-Y139 HydrophobicContact CD1-CE1 4.21Å |
| 105 | R | 95.1 | Very high | 92.9 | Very high | 158 Ų | 158 | 77.4 Ų | 77.4 | 60% | 0.596 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.8 | 178.2 | -73 | 174.3 | 166 | 149.9 | -3.5 | 110.4 | G110 T111 | R105-G110 WeakPolarHBondContact CD-O 3.42Å; R105-G110 VanDerWaalsContact CG-O 3.3Å; R105-G110 WeakPolarHBondContact CG-O 3.04Å; R105-G110 PolarHBondContact NE-O 2.8Å; R105-T111 CarbonylContact C-O 3.56Å; R105-T111 WeakPolarHBondContact CA-O 3.47Å |
| 106 | S | 92 | Very high | 93 | Very high | 19 Ų | 19 | 77.6 Ų | 77.6 | 13% | 0.133 | 42% | 0.424 | C | S | . | . | trans | -77.5 | 147 | 171.8 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | E22 G110 T111 | E22-S106 WeakPolarHBondContact OE1-CA 3.42Å; E22-S106 WeakPolarHBondContact OE1-CB 3.49Å; S106-G110 WeakPolarHBondContact O-CA 3.09Å; S106-G110 PolarHBondContact O-N 2.97Å; S106-T111 PolarHBondContact N-O 3.1Å | ||
| 107 | R | 85.5 | Confident | 93 | Very high | 160 Ų | 160 | 73.9 Ų | 73.9 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 145.9 | 160.9 | -71.7 | -175.8 | -57.7 | -54.3 | -17.2 | 109.1 | E22 | E22-R107 PolarHBondContact OE1-N 2.98Å; E22-R107 IonicContact OE2-CZ 3.51Å; E22-R107 IonicContact OE2-NE 2.7Å; E22-R107 IonicContact OE2-NH1 2.8Å; E22-R107 PolarHBondContact OE2-NH1 3.48Å; E22-R107 IonicContact OE2-NH2 3.59Å; E22-R107 PolarHBondContact OE2-NH2 3.11Å |
| 108 | P | 81.1 | Confident | 93.2 | Very high | 139 Ų | 139 | 73 Ų | 73 | 90% | 0.903 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -80.5 | -16.1 | -10.9 | 33.8 | -35.2 | 0 | 0 | 0 | 113.2 | G110 | P108-G110 PolarHBondContact O-N 3.37Š|
| 109 | A | 80.4 | Confident | 93.2 | Very high | 71 Ų | 71 | 70 Ų | 70 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | T111 | A109-T111 PolarHBondContact O-N 2.95Å; A109-T111 PolarHBondContact O-OG1 2.61Å |
| 110 | G | 87.1 | Confident | 93.4 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | trans | 61.2 | 6.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R105 S106 P108 | R105-G110 WeakPolarHBondContact CD-O 3.42Å; R105-G110 VanDerWaalsContact CG-O 3.3Å; R105-G110 WeakPolarHBondContact CG-O 3.04Å; R105-G110 PolarHBondContact NE-O 2.8Å; S106-G110 WeakPolarHBondContact O-CA 3.09Å; S106-G110 PolarHBondContact O-N 2.97Å; P108-G110 PolarHBondContact O-N 3.37Å | ||
| 111 | T | 92.4 | Very high | 93.4 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | trans | -76 | 136.9 | -169 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | R105 S106 A109 I113 | R105-T111 CarbonylContact C-O 3.56Å; R105-T111 WeakPolarHBondContact CA-O 3.47Å; S106-T111 PolarHBondContact N-O 3.1Å; A109-T111 PolarHBondContact O-N 2.95Å; A109-T111 PolarHBondContact O-OG1 2.61Å; T111-I113 PolarHBondContact O-N 2.74Å; T111-I113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | L | 95.1 | Very high | 93.5 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 107.4 | 179.5 | -178 | 71.1 | 0 | 0 | 0 | 110.5 | L103 A142 | L103-L112 HydrophobicContact CB-CD1 3.7Å; L103-L112 HydrophobicContact CD1-CD1 4.31Å; L103-L112 HydrophobicContact CD2-CD1 3.99Å; L103-L112 HydrophobicContact CG-CD1 4.2Å; L112-A142 HydrophobicContact CD2-CB 3.93Å; L112-A142 HydrophobicContact CG-CB 3.71Å |
| 113 | I | 94.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -26.3 | -177.9 | 55.9 | 167.2 | 0 | 0 | 0 | 113 | E22 V25 L26 I104 T111 A142 | E22-I113 HydrophobicContact CB-CD1 4.36Å; E22-I113 HydrophobicContact CG-CD1 3.89Å; V25-I113 HydrophobicContact CB-CD1 4.12Å; V25-I113 HydrophobicContact CG1-CB 4.07Å; V25-I113 HydrophobicContact CG1-CD1 4Å; V25-I113 HydrophobicContact CG1-CG1 4.09Å; L26-I113 HydrophobicContact CD1-CD1 4.13Å; L26-I113 HydrophobicContact CD2-CB 4.3Å; L26-I113 HydrophobicContact CD2-CD1 3.81Å; L26-I113 HydrophobicContact CD2-CG2 4.08Å; L26-I113 HydrophobicContact CG-CD1 3.7Å; I104-I113 HydrophobicContact CB-CG1 4.32Å; I104-I113 HydrophobicContact CG2-CD1 3.95Å; I104-I113 HydrophobicContact CG2-CG1 3.92Å; I104-I113 VanDerWaalsContact O-CG1 3.31Å; I104-I113 WeakPolarHBondContact O-CG1 3.06Å; I104-I113 PolarHBondContact O-N 3.21Å; T111-I113 PolarHBondContact O-N 2.74Å; T111-I113 VanDerWaalsContact O-N 3.12Å; I113-A142 PolarHBondContact O-N 2.86Å |
| 114 | G | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I104 R140 | I104-G114 PolarHBondContact N-O 3.3Å; I104-G114 PolarHBondContact O-N 2.72Å; G114-R140 CarbonylContact C-O 3.53Å; G114-R140 WeakPolarHBondContact CA-O 3.42Å |
| 115 | V | 95.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.2 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | D101 R102 L103 R140 | D101-V115 HydrophobicContact CB-CG1 3.81Å; R102-V115 WeakPolarHBondContact O-CA 3.42Å; L103-V115 HydrophobicContact CD2-CG2 4.12Å; V115-R140 PolarHBondContact N-O 2.81Å; V115-R140 PolarHBondContact O-N 2.95Å |
| 116 | K | 97.3 | Very high | 93.4 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128 | 171.9 | 174.6 | 175.3 | -177.2 | 172.6 | 0 | 109.7 | D21 R102 I104 H137 E138 Y139 | D21-K116 VanDerWaalsContact CG-CD 3.49Å; D21-K116 WeakPolarHBondContact OD1-CD 3.19Å; D21-K116 IonicContact OD1-NZ 3.64Å; D21-K116 PolarHBondContact OD1-NZ 3.33Å; D21-K116 WeakPolarHBondContact OD2-CD 3.3Å; D21-K116 IonicContact OD2-NZ 2.64Å; D21-K116 PolarHBondContact OD2-NZ 3.47Å; R102-K116 HydrophobicContact CB-CB 4.24Å; R102-K116 PolarHBondContact N-O 3.18Å; R102-K116 PolarHBondContact O-N 3.2Å; I104-K116 HydrophobicContact CD1-CB 4Å; I104-K116 HydrophobicContact CG1-CB 4.22Å; K116-H137 WeakPolarHBondContact CE-CD2 3.3Å; K116-H137 HydrophobicContact CG-CB 4.35Å; K116-E138 WeakPolarHBondContact CA-O 3.34Å; K116-Y139 HydrophobicContact CB-CD1 4.3Å; K116-Y139 HydrophobicContact CB-CE1 4.17Å; K116-Y139 HydrophobicContact CD-CE1 3.79Å; K116-Y139 VanDerWaalsContact CE-OH 3.26Å; K116-Y139 WeakPolarHBondContact CE-OH 3.19Å; K116-Y139 HydrophobicContact CG-CE1 4.09Å; K116-Y139 PolarHBondContact NZ-OH 2.86Å; K116-Y139 VanDerWaalsContact NZ-OH 3.13Å |
| 117 | K | 96.2 | Very high | 93.4 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.6 | -179.8 | 174.1 | -171.9 | -56.2 | -63.3 | 0 | 109.8 | D101 L119 E138 | D101-K117 WeakPolarHBondContact OD1-CG 3.47Å; D101-K117 IonicContact OD1-NZ 3.21Å; D101-K117 PolarHBondContact OD1-NZ 3.2Å; D101-K117 IonicContact OD2-NZ 3.96Å; D101-K117 PolarHBondContact OD2-NZ 3.15Å; K117-L119 HydrophobicContact CD-CD2 3.97Å; K117-L119 HydrophobicContact CG-CD2 4.01Å; K117-E138 HydrophobicContact CB-CB 4.32Å; K117-E138 PolarHBondContact N-O 2.71Å; K117-E138 PolarHBondContact O-N 2.9Å |
| 118 | T | 97.3 | Very high | 93.8 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 20% | 0.202 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 133.3 | 177.7 | -48.7 | 0 | 0 | 0 | 0 | 110.7 | T98 I135 H137 | T98-T118 HydrophobicContact CG2-CG2 3.66Å; T98-T118 PolarHBondContact N-O 3.49Å; T118-I135 HydrophobicContact CG2-CG2 3.65Å; T118-H137 PolarHBondContact OG1-CD2 3.44Å; T118-H137 VanDerWaalsContact OG1-CD2 3.23Å; T118-H137 PolarHBondContact OG1-NE2 3.05Å |
| 119 | L | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 149.6 | 175.5 | -47.7 | -179.6 | 0 | 0 | 0 | 108.8 | R88 W95 K96 A97 K117 M136 E138 Y157 | R88-L119 VanDerWaalsContact CZ-CD2 3.42Å; W95-L119 HydrophobicContact CB-CB 4.43Å; W95-L119 HydrophobicContact CB-CD1 4.27Å; W95-L119 HydrophobicContact CE3-CB 3.96Å; K96-L119 CarbonylContact O-C 3.59Å; K96-L119 WeakPolarHBondContact O-CA 3.26Å; A97-L119 HydrophobicContact CB-CD2 3.96Å; K117-L119 HydrophobicContact CD-CD2 3.97Å; K117-L119 HydrophobicContact CG-CD2 4.01Å; L119-M136 HydrophobicContact CB-CB 4.29Å; L119-M136 HydrophobicContact CD1-CG 4.46Å; L119-M136 HydrophobicContact CD1-SD 4.07Å; L119-M136 PolarHBondContact N-O 3.21Å; L119-M136 PolarHBondContact O-N 3.01Å; L119-E138 HydrophobicContact CD1-CB 4.21Å; L119-E138 HydrophobicContact CG-CB 4.46Å; L119-Y157 HydrophobicContact CD1-CE1 4.26Å |
| 120 | V | 97.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.3 | 172.8 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | K96 T98 R131 I135 | K96-V120 PolarHBondContact N-O 3.33Å; K96-V120 PolarHBondContact O-N 2.87Å; T98-V120 HydrophobicContact CG2-CG2 3.63Å; V120-R131 HydrophobicContact CG1-CG 3.74Å; V120-I135 HydrophobicContact CB-CD1 4.42Å; V120-I135 HydrophobicContact CG1-CD1 4.02Å; V120-I135 HydrophobicContact CG2-CD1 3.89Å |
| 121 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 134.5 | 176.8 | -171.7 | -100 | 0 | 0 | 0 | 111.6 | E53 P54 W55 T90 G93 W95 R123 T132 W134 | E53-F121 WeakPolarHBondContact OE2-CZ 3.42Å; P54-F121 HydrophobicContact CG-CB 4.12Å; P54-F121 HydrophobicContact CG-CD1 3.75Å; P54-F121 HydrophobicContact CG-CD2 3.99Å; P54-F121 HydrophobicContact CG-CE1 4.1Å; P54-F121 HydrophobicContact CG-CE2 4.32Å; P54-F121 HydrophobicContact CG-CG 3.68Å; P54-F121 HydrophobicContact CG-CZ 4.36Å; W55-F121 AromaticContact CH2-CE1 3.98Å; W55-F121 HydrophobicContact CH2-CE1 3.98Å; W55-F121 HydrophobicContact CH2-CZ 4.32Å; W55-F121 HydrophobicContact CZ3-CD1 4.32Å; W55-F121 AromaticContact CZ3-CE1 3.76Å; W55-F121 HydrophobicContact CZ3-CE1 3.76Å; W55-F121 HydrophobicContact CZ3-CZ 4.42Å; T90-F121 HydrophobicContact CG2-CE2 3.97Å; T90-F121 WeakPolarHBondContact OG1-CE2 3.47Å; T90-F121 WeakPolarHBondContact OG1-CZ 3.4Å; G93-F121 VanDerWaalsContact CA-CZ 3.5Å; W95-F121 HydrophobicContact CD2-CB 4.3Å; W95-F121 AromaticContact CD2-CD2 3.96Å; W95-F121 HydrophobicContact CD2-CD2 3.96Å; W95-F121 AromaticContact CE2-CD2 3.78Å; W95-F121 HydrophobicContact CE3-CB 3.89Å; W95-F121 HydrophobicContact CE3-CD2 4.4Å; W95-F121 HydrophobicContact CG-CD2 4.32Å; W95-F121 HydrophobicContact CH2-CB 3.98Å; W95-F121 HydrophobicContact CZ2-CB 4.38Å; W95-F121 HydrophobicContact CZ2-CD2 4.1Å; W95-F121 HydrophobicContact CZ3-CB 3.72Å; W95-F121 AromaticContact NE1-CD2 3.99Å; F121-R123 HydrophobicContact CE1-CB 4.06Å; F121-T132 HydrophobicContact CD1-CG2 4.05Å; F121-T132 PolarHBondContact O-N 3.47Å; F121-T132 PolarHBondContact O-OG1 2.66Å; F121-W134 HydrophobicContact CB-CB 4.02Å; F121-W134 PolarHBondContact N-O 3.31Å; F121-W134 VanDerWaalsContact N-O 3.07Å |
| 122 | H | 97.8 | Very high | 96 | Very high | 20 Ų | 20 | 66 Ų | 66 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.9 | 172.6 | -81.7 | -114.1 | 0 | 0 | 0 | 109.6 | G93 Y94 K96 G129 H130 | G93-H122 CarbonylContact C-O 3.54Å; G93-H122 WeakPolarHBondContact CA-O 3.37Å; Y94-H122 HydrophobicContact CD1-CB 4.08Å; Y94-H122 HydrophobicContact CD2-CB 4.2Å; Y94-H122 HydrophobicContact CE1-CB 3.64Å; Y94-H122 HydrophobicContact CE2-CB 3.77Å; Y94-H122 HydrophobicContact CG-CB 4.35Å; Y94-H122 VanDerWaalsContact CZ-CB 3.47Å; Y94-H122 AromaticContact CZ-CG 3.93Å; Y94-H122 PolarHBondContact N-O 3.1Å; Y94-H122 PolarHBondContact O-N 2.78Å; K96-H122 WeakPolarHBondContact CD-NE2 3.42Å; H122-G129 PolarHBondContact ND1-O 2.9Å; H122-H130 CarbonylContact C-O 3.52Å; H122-H130 WeakPolarHBondContact CA-O 3.38Å |
| 123 | R | 97.1 | Very high | 96.1 | Very high | 132 Ų | 132 | 63.4 Ų | 63.4 | 50% | 0.498 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.4 | 177.7 | -167.8 | 177.4 | -179.9 | 115.8 | -0.5 | 110.4 | F121 G129 H130 T132 | F121-R123 HydrophobicContact CE1-CB 4.06Å; R123-G129 CarbonylContact O-C 3.59Å; R123-G129 WeakPolarHBondContact O-CA 3.11Å; R123-H130 PolarHBondContact N-O 3Å; R123-H130 PolarHBondContact O-N 3.42Å; R123-T132 HydrophobicContact CB-CG2 4Å |
| 124 | G | 96.4 | Very high | 96.2 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 92.3 | 165.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A92 Y94 | A92-G124 PolarHBondContact O-N 3.37Å; Y94-G124 WeakPolarHBondContact CD1-O 3.13Å; Y94-G124 VanDerWaalsContact CE1-O 3.28Å; Y94-G124 WeakPolarHBondContact CE1-O 3.44Å |
| 125 | R | 94.9 | Very high | 96.4 | Very high | 232 Ų | 232 | 65.3 Ų | 65.3 | 88% | 0.875 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -72.2 | 133.5 | -167.6 | -167.5 | 166.1 | -179 | 159.7 | -0 | 113.3 | R128 G129 | R125-R128 PolarHBondContact O-N 3.21Å; R125-G129 PolarHBondContact O-N 3.02Å |
| 126 | A | 93.5 | Very high | 96.4 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 142.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y94 | Y94-A126 HydrophobicContact CD1-CB 3.69Å; Y94-A126 HydrophobicContact CD2-CB 4.21Å; Y94-A126 HydrophobicContact CE1-CB 3.55Å; Y94-A126 HydrophobicContact CE2-CB 4.1Å; Y94-A126 HydrophobicContact CG-CB 4.01Å |
| 127 | P | 92.6 | Very high | 96.4 | Very high | 119 Ų | 119 | 64.4 Ų | 64.4 | 77% | 0.773 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.6 | 7 | 0.1 | 37.5 | -37.1 | 0 | 0 | 0 | 114.2 | Y94 G129 | Y94-P127 PolarHBondContact OH-O 3.04Å; P127-G129 PolarHBondContact O-N 3.07Å |
| 128 | R | 94.5 | Very high | 96.4 | Very high | 225 Ų | 225 | 62.7 Ų | 62.7 | 85% | 0.849 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -88.9 | 5.9 | -169.8 | -59.6 | -175.3 | -177.9 | -179.2 | 0.6 | 114.3 | R125 | R125-R128 PolarHBondContact O-N 3.21Š|
| 129 | G | 94.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 141.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y94 H122 R123 R125 P127 | Y94-G129 PolarHBondContact OH-N 3.02Å; H122-G129 PolarHBondContact ND1-O 2.9Å; R123-G129 CarbonylContact O-C 3.59Å; R123-G129 WeakPolarHBondContact O-CA 3.11Å; R125-G129 PolarHBondContact O-N 3.02Å; P127-G129 PolarHBondContact O-N 3.07Å |
| 130 | H | 97.1 | Very high | 96.3 | Very high | 149 Ų | 149 | 63.7 Ų | 63.7 | 69% | 0.69 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130.7 | 178.3 | -57.8 | -85.4 | 0 | 0 | 0 | 110.2 | H122 R123 T132 | H122-H130 CarbonylContact C-O 3.52Å; H122-H130 WeakPolarHBondContact CA-O 3.38Å; R123-H130 PolarHBondContact N-O 3Å; R123-H130 PolarHBondContact O-N 3.42Å; H130-T132 PolarHBondContact O-N 2.83Å |
| 131 | R | 97.2 | Very high | 96 | Very high | 174 Ų | 174 | 65.3 Ų | 65.3 | 66% | 0.657 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 134.7 | 175.8 | -178.8 | -179 | 172.8 | 177.1 | -0 | 109.7 | V120 | V120-R131 HydrophobicContact CG1-CG 3.74Å |
| 132 | T | 97.2 | Very high | 95.6 | Very high | 34 Ų | 34 | 67 Ų | 67 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 175.2 | 173.7 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | F121 R123 H130 W134 | F121-T132 HydrophobicContact CD1-CG2 4.05Å; F121-T132 PolarHBondContact O-N 3.47Å; F121-T132 PolarHBondContact O-OG1 2.66Å; R123-T132 HydrophobicContact CB-CG2 4Å; H130-T132 PolarHBondContact O-N 2.83Å; T132-W134 VanDerWaalsContact C-N 3.33Å; T132-W134 PolarHBondContact OG1-N 3.01Å |
| 133 | A | 97.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 69.9 Ų | 69.9 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -7.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I135 N161 K162 N163 | A133-I135 WeakPolarHBondContact O-CG1 3.47Å; A133-I135 PolarHBondContact O-N 3.47Å; A133-N161 WeakPolarHBondContact CB-OD1 3.19Å; A133-K162 HydrophobicContact CB-CB 4.42Å; A133-K162 PolarHBondContact O-N 3.47Å; A133-K162 VanDerWaalsContact O-N 3.08Å; A133-N163 HydrophobicContact CB-CB 4.42Å; A133-N163 WeakPolarHBondContact CB-OD1 3.46Å |
| 134 | W | 97.7 | Very high | 92.6 | Very high | 29 Ų | 29 | 69.3 Ų | 69.3 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 117.3 | 175.8 | -68.5 | 100.8 | 0 | 0 | 0 | 111.7 | P54 W55 P58 W70 F121 T132 L159 N161 | P54-W134 HydrophobicContact CB-CB 3.87Å; P54-W134 HydrophobicContact CB-CD2 3.7Å; P54-W134 HydrophobicContact CB-CE3 3.98Å; P54-W134 HydrophobicContact CB-CG 3.64Å; P54-W134 HydrophobicContact CG-CB 4.09Å; P54-W134 HydrophobicContact CG-CD2 4.26Å; P54-W134 HydrophobicContact CG-CG 3.81Å; W55-W134 HydrophobicContact CB-CZ2 3.87Å; P58-W134 HydrophobicContact CG-CH2 3.93Å; P58-W134 HydrophobicContact CG-CZ3 4.16Å; W70-W134 HydrophobicContact CE3-CZ3 4.48Å; W70-W134 HydrophobicContact CZ3-CH2 4.35Å; W70-W134 AromaticContact CZ3-CZ3 3.86Å; W70-W134 HydrophobicContact CZ3-CZ3 3.86Å; F121-W134 HydrophobicContact CB-CB 4.02Å; F121-W134 PolarHBondContact N-O 3.31Å; F121-W134 VanDerWaalsContact N-O 3.07Å; T132-W134 VanDerWaalsContact C-N 3.33Å; T132-W134 PolarHBondContact OG1-N 3.01Å; W134-L159 HydrophobicContact CE3-CD1 3.93Å; W134-L159 HydrophobicContact CE3-CD2 4.31Å; W134-L159 HydrophobicContact CE3-CG 4.11Å; W134-L159 HydrophobicContact CZ3-CD1 4.46Å; W134-L159 HydrophobicContact CZ3-CD2 4.04Å; W134-L159 HydrophobicContact CZ3-CG 4.17Å; W134-N161 HydrophobicContact CD2-CB 4.11Å; W134-N161 HydrophobicContact CE3-CB 3.83Å; W134-N161 HydrophobicContact CH2-CB 4.01Å; W134-N161 HydrophobicContact CZ2-CB 4.27Å; W134-N161 HydrophobicContact CZ3-CB 3.81Å |
| 135 | I | 97.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 75.9 Ų | 75.9 | 9% | 0.087 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146 | 178.6 | -46.5 | -60.5 | 0 | 0 | 0 | 109.1 | T118 V120 A133 F160 | T118-I135 HydrophobicContact CG2-CG2 3.65Å; V120-I135 HydrophobicContact CB-CD1 4.42Å; V120-I135 HydrophobicContact CG1-CD1 4.02Å; V120-I135 HydrophobicContact CG2-CD1 3.89Å; A133-I135 WeakPolarHBondContact O-CG1 3.47Å; A133-I135 PolarHBondContact O-N 3.47Å; I135-F160 HydrophobicContact CB-CD1 4.12Å; I135-F160 HydrophobicContact CB-CD2 4.31Å; I135-F160 HydrophobicContact CB-CE1 3.62Å; I135-F160 HydrophobicContact CB-CE2 3.87Å; I135-F160 HydrophobicContact CB-CG 4.43Å; I135-F160 HydrophobicContact CB-CZ 3.49Å; I135-F160 VanDerWaalsContact CB-CZ 3.49Å; I135-F160 HydrophobicContact CG1-CE2 4.09Å; I135-F160 HydrophobicContact CG1-CZ 4.12Å; I135-F160 HydrophobicContact CG2-CD1 4.46Å; I135-F160 HydrophobicContact CG2-CE1 3.52Å; I135-F160 HydrophobicContact CG2-CE2 4.18Å; I135-F160 HydrophobicContact CG2-CZ 3.36Å; I135-F160 PolarHBondContact N-O 2.71Å; I135-F160 PolarHBondContact O-N 3.46Å; I135-F160 VanDerWaalsContact O-O 3.13Å |
| 136 | M | 96.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131 | 177.6 | 173.5 | -175.8 | -79.7 | 0 | 0 | 110.7 | L49 L57 W95 L119 Y157 R158 L159 | L49-M136 HydrophobicContact CD1-CE 3.58Å; L49-M136 HydrophobicContact CD1-SD 3.47Å; L49-M136 WeakPolarHBondContact CD1-SD 3.35Å; L49-M136 HydrophobicContact CD2-CE 3.74Å; L49-M136 HydrophobicContact CG-CE 4.35Å; L57-M136 HydrophobicContact CD1-CE 4.07Å; W95-M136 HydrophobicContact CD2-SD 4.19Å; W95-M136 HydrophobicContact CE3-CB 3.97Å; W95-M136 HydrophobicContact CE3-SD 4.26Å; W95-M136 HydrophobicContact CH2-CB 3.82Å; W95-M136 HydrophobicContact CH2-CE 3.68Å; W95-M136 HydrophobicContact CH2-SD 4.23Å; W95-M136 HydrophobicContact CZ2-CE 3.44Å; W95-M136 VanDerWaalsContact CZ2-CE 3.44Å; W95-M136 HydrophobicContact CZ2-SD 4.16Å; W95-M136 HydrophobicContact CZ3-CB 3.43Å; W95-M136 VanDerWaalsContact CZ3-CB 3.43Å; W95-M136 HydrophobicContact CZ3-CE 4.32Å; W95-M136 HydrophobicContact CZ3-CG 4.47Å; W95-M136 HydrophobicContact CZ3-SD 4.28Å; L119-M136 HydrophobicContact CB-CB 4.29Å; L119-M136 HydrophobicContact CD1-CG 4.46Å; L119-M136 HydrophobicContact CD1-SD 4.07Å; L119-M136 PolarHBondContact N-O 3.21Å; L119-M136 PolarHBondContact O-N 3.01Å; M136-Y157 HydrophobicContact CE-CD1 4.37Å; M136-Y157 HydrophobicContact CG-CD1 3.54Å; M136-Y157 HydrophobicContact CG-CE1 4.22Å; M136-Y157 HydrophobicContact CG-CG 4.32Å; M136-Y157 HydrophobicContact SD-CD1 3.32Å; M136-Y157 WeakPolarHBondContact SD-CD1 3.48Å; M136-Y157 HydrophobicContact SD-CE1 3.61Å; M136-Y157 HydrophobicContact SD-CG 4Å; M136-R158 CarbonylContact C-O 3.46Å; M136-R158 WeakPolarHBondContact CA-O 3.32Å; M136-L159 HydrophobicContact CB-CD1 4.48Å; M136-L159 HydrophobicContact CE-CD1 4.08Å |
| 137 | H | 97.5 | Very high | 86.6 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 13% | 0.125 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.7 | 170.4 | -70.4 | 126.7 | 0 | 0 | 0 | 109.9 | K116 T118 Y139 Y157 R158 F160 | K116-H137 WeakPolarHBondContact CE-CD2 3.3Å; K116-H137 HydrophobicContact CG-CB 4.35Å; T118-H137 PolarHBondContact OG1-CD2 3.44Å; T118-H137 VanDerWaalsContact OG1-CD2 3.23Å; T118-H137 PolarHBondContact OG1-NE2 3.05Å; H137-Y139 HydrophobicContact CB-CD2 4.27Å; H137-Y139 HydrophobicContact CB-CE2 3.52Å; H137-Y139 WeakPolarHBondContact O-CD2 3.39Å; H137-Y157 WeakPolarHBondContact O-CA 3.13Å; H137-R158 HydrophobicContact CB-CB 4.33Å; H137-R158 PolarHBondContact N-O 3.46Å; H137-R158 PolarHBondContact O-N 3.22Å; H137-F160 AromaticContact CE1-CE1 3.48Å; H137-F160 VanDerWaalsContact CE1-CE1 3.48Å; H137-F160 WeakPolarHBondContact CE1-CE1 3.27Å; H137-F160 AromaticContact CE1-CZ 3.64Å; H137-F160 AromaticContact ND1-CE1 3.46Å; H137-F160 WeakPolarHBondContact ND1-CE1 3.39Å |
| 138 | E | 96.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 118.1 | 173.2 | -176.2 | -178.2 | 91.9 | 0 | 0 | 109.7 | S86 R88 K116 K117 L119 R140 Y157 | S86-E138 PolarHBondContact OG-OE2 3.32Å; R88-E138 IonicContact CZ-OE2 2.66Å; R88-E138 IonicContact NE-OE2 3.12Å; R88-E138 IonicContact NH2-OE1 2.7Å; R88-E138 PolarHBondContact NH2-OE1 2.82Å; R88-E138 IonicContact NH2-OE2 3.17Å; R88-E138 PolarHBondContact NH2-OE2 3.34Å; K116-E138 WeakPolarHBondContact CA-O 3.34Å; K117-E138 HydrophobicContact CB-CB 4.32Å; K117-E138 PolarHBondContact N-O 2.71Å; K117-E138 PolarHBondContact O-N 2.9Å; L119-E138 HydrophobicContact CD1-CB 4.21Å; L119-E138 HydrophobicContact CG-CB 4.46Å; E138-R140 HydrophobicContact CG-CG 4.46Å; E138-R140 IonicContact OE1-CZ 3.77Å; E138-R140 IonicContact OE1-NE 2.78Å; E138-R140 PolarHBondContact OE1-NE 2.87Å; E138-R140 IonicContact OE1-NH2 2.63Å; E138-R140 PolarHBondContact OE1-NH2 2.85Å; E138-R140 IonicContact OE2-NH2 2.73Å; E138-Y157 HydrophobicContact CB-CD1 3.98Å; E138-Y157 HydrophobicContact CB-CE1 3.5Å; E138-Y157 HydrophobicContact CG-CD1 4.24Å; E138-Y157 HydrophobicContact CG-CE1 3.45Å; E138-Y157 VanDerWaalsContact CG-CE1 3.45Å; E138-Y157 PolarHBondContact OE2-OH 2.64Å |
| 139 | Y | 96.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.4 | 177 | -65.2 | -100.5 | 0 | 0 | 0 | 110.1 | D21 L24 V25 L29 I104 K116 H137 L156 R158 | D21-Y139 HydrophobicContact CB-CE1 4.04Å; D21-Y139 VanDerWaalsContact OD1-CE1 3.3Å; D21-Y139 WeakPolarHBondContact OD1-CE1 3.47Å; D21-Y139 PolarHBondContact OD1-OH 2.71Å; L24-Y139 HydrophobicContact CB-CD1 4.37Å; L24-Y139 HydrophobicContact CB-CE1 4.37Å; L24-Y139 HydrophobicContact CD1-CD1 4.41Å; L24-Y139 HydrophobicContact CD1-CD2 4.5Å; L24-Y139 HydrophobicContact CD1-CE1 3.76Å; L24-Y139 HydrophobicContact CD1-CE2 3.86Å; L24-Y139 VanDerWaalsContact CD1-CZ 3.44Å; V25-Y139 HydrophobicContact CG2-CD1 4.44Å; L29-Y139 WeakPolarHBondContact CD2-O 3.47Å; I104-Y139 HydrophobicContact CD1-CD1 3.75Å; I104-Y139 HydrophobicContact CD1-CE1 4.21Å; K116-Y139 HydrophobicContact CB-CD1 4.3Å; K116-Y139 HydrophobicContact CB-CE1 4.17Å; K116-Y139 HydrophobicContact CD-CE1 3.79Å; K116-Y139 VanDerWaalsContact CE-OH 3.26Å; K116-Y139 WeakPolarHBondContact CE-OH 3.19Å; K116-Y139 HydrophobicContact CG-CE1 4.09Å; K116-Y139 PolarHBondContact NZ-OH 2.86Å; K116-Y139 VanDerWaalsContact NZ-OH 3.13Å; H137-Y139 HydrophobicContact CB-CD2 4.27Å; H137-Y139 HydrophobicContact CB-CE2 3.52Å; H137-Y139 WeakPolarHBondContact O-CD2 3.39Å; Y139-L156 WeakPolarHBondContact CB-O 3.46Å; Y139-L156 HydrophobicContact CD2-CD2 3.61Å; Y139-L156 HydrophobicContact CE2-CD2 4.17Å; Y139-L156 HydrophobicContact CG-CD2 4.08Å; Y139-L156 PolarHBondContact N-O 2.97Å; Y139-L156 PolarHBondContact O-N 3.05Å; Y139-R158 HydrophobicContact CE2-CB 4.05Å |
| 140 | R | 93.9 | Very high | 80.6 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 21% | 0.208 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.9 | 174.5 | -53.4 | -169.5 | -177.6 | -149.4 | -6.7 | 109.9 | H84 S86 G114 V115 E138 V155 | H84-R140 PolarHBondContact O-NH1 2.85Å; S86-R140 PolarHBondContact OG-NH2 3.21Å; G114-R140 CarbonylContact C-O 3.53Å; G114-R140 WeakPolarHBondContact CA-O 3.42Å; V115-R140 PolarHBondContact N-O 2.81Å; V115-R140 PolarHBondContact O-N 2.95Å; E138-R140 HydrophobicContact CG-CG 4.46Å; E138-R140 IonicContact OE1-CZ 3.77Å; E138-R140 IonicContact OE1-NE 2.78Å; E138-R140 PolarHBondContact OE1-NE 2.87Å; E138-R140 IonicContact OE1-NH2 2.63Å; E138-R140 PolarHBondContact OE1-NH2 2.85Å; E138-R140 IonicContact OE2-NH2 2.73Å; R140-V155 HydrophobicContact CG-CG1 3.99Å |
| 141 | T | 92.5 | Very high | 78.9 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 23% | 0.233 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 147.8 | 164.3 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | V25 L29 K30 I33 | V25-T141 HydrophobicContact CG1-CG2 4.47Å; L29-T141 HydrophobicContact CD2-CG2 4.16Å; L29-T141 HydrophobicContact CG-CG2 4.16Å; K30-T141 HydrophobicContact CG-CG2 3.8Å; I33-T141 HydrophobicContact CD1-CG2 3.86Å |
| 142 | A | 88 | Confident | 77.6 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -93.7 | -16.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L112 I113 P144 | L112-A142 HydrophobicContact CD2-CB 3.93Å; L112-A142 HydrophobicContact CG-CB 3.71Å; I113-A142 PolarHBondContact O-N 2.86Å; A142-P144 WeakPolarHBondContact O-CD 3.41Å |
| 143 | E | 73.3 | Confident | 77 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | trans | -83.6 | 112.3 | -176.2 | -178.7 | 168.3 | -138.4 | 0 | 0 | 111.1 | K30 Q145 | K30-E143 VanDerWaalsContact CE-OE2 3.3Å; K30-E143 WeakPolarHBondContact CE-OE2 3.22Å; K30-E143 IonicContact NZ-OE2 3.56Å; K30-E143 PolarHBondContact NZ-OE2 3.21Å; E143-Q145 PolarHBondContact O-N 2.94Å | ||
| 144 | P | 58.3 | Low | 76.8 | Confident | 120 Ų | 120 | 60.1 Ų | 60.1 | 78% | 0.779 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 8.8 | -175.1 | 35.4 | -34.5 | 0 | 0 | 0 | 113.4 | A142 | A142-P144 WeakPolarHBondContact O-CD 3.41Š|
| 145 | Q | 52.8 | Low | 76.6 | Confident | 168 Ų | 168 | 58.8 Ų | 58.8 | 79% | 0.785 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 25.6 | -169.4 | -69.2 | -165.3 | 80.5 | 0 | 0 | 114.4 | E143 | E143-Q145 PolarHBondContact O-N 2.94Š|
| 146 | L | 55.7 | Low | 76.5 | Confident | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -58.1 | 126.4 | 146.9 | -72.3 | 178.6 | 0 | 0 | 0 | 106.2 | K30 I33 Q148 | K30-L146 HydrophobicContact CB-CD1 4.32Å; K30-L146 HydrophobicContact CG-CD1 4.14Å; I33-L146 HydrophobicContact CB-CD1 4.19Å; I33-L146 HydrophobicContact CG2-CB 4.42Å; I33-L146 HydrophobicContact CG2-CD1 3.83Å; L146-Q148 PolarHBondContact O-N 3.12Å; L146-Q148 VanDerWaalsContact O-N 3.13Å |
| 147 | P | 50.3 | Low | 76.5 | Confident | 110 Ų | 110 | 58.6 Ų | 58.6 | 71% | 0.714 | 32% | 0.319 | S | S | * | . | trans | -55.2 | 126.7 | 170 | 25.4 | -32.7 | 0 | 0 | 0 | 106.1 | G149 | P147-G149 PolarHBondContact O-N 2.87Š| ||
| 148 | Q | 52.8 | Low | 76.5 | Confident | 158 Ų | 158 | 59.5 Ų | 59.5 | 74% | 0.738 | 32% | 0.321 | S | S | * | . | trans | -58.6 | 107.8 | -174.8 | -72.4 | -174.7 | -34.8 | 0 | 0 | 107.7 | L146 | L146-Q148 PolarHBondContact O-N 3.12Å; L146-Q148 VanDerWaalsContact O-N 3.13Å | ||
| 149 | G | 50.7 | Low | 76.5 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | trans | -60.2 | 166.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I33 P147 N151 G152 | I33-G149 WeakPolarHBondContact O-CA 3.39Å; I33-G149 PolarHBondContact O-N 2.98Å; P147-G149 PolarHBondContact O-N 2.87Å; G149-N151 PolarHBondContact O-N 3.39Å; G149-G152 PolarHBondContact O-N 3Å | ||
| 150 | Q | 52.7 | Low | 76.4 | Confident | 203 Ų | 203 | 60.6 Ų | 60.6 | 95% | 0.949 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -25.1 | 179.8 | -62.9 | 171.8 | -0.2 | 0 | 0 | 112.2 | ||
| 151 | N | 62 | Low | 76.5 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -16.6 | 175.9 | -62.1 | -1.4 | 0 | 0 | 0 | 115.4 | K32 G149 F154 | K32-N151 PolarHBondContact O-ND2 2.9Å; G149-N151 PolarHBondContact O-N 3.39Å; N151-F154 HydrophobicContact CB-CD2 4.26Å; N151-F154 HydrophobicContact CB-CE2 3.94Å; N151-F154 VanDerWaalsContact O-CE2 3.27Å; N151-F154 WeakPolarHBondContact O-CE2 3.42Å |
| 152 | G | 70.4 | Confident | 76.4 | Confident | 23 Ų | 23 | 61 Ų | 61 | 24% | 0.237 | 33% | 0.327 | C | S | . | . | trans | 68.4 | -154.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G149 | G149-G152 PolarHBondContact O-N 3Š| ||
| 153 | S | 84.6 | Confident | 76.1 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -89.9 | 110.8 | -175.3 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | L76 | L76-S153 VanDerWaalsContact CB-O 3.24Å; L76-S153 WeakPolarHBondContact CB-O 3.35Å; L76-S153 PolarHBondContact N-O 2.86Å |
| 154 | F | 91.6 | Very high | 75.7 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 10% | 0.096 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 165.8 | 173.8 | -89.8 | -98 | 0 | 0 | 0 | 113 | L29 K32 I33 F73 A74 P75 N151 | L29-F154 HydrophobicContact CD1-CB 4.21Å; K32-F154 VanDerWaalsContact CE-CE1 3.49Å; K32-F154 HydrophobicContact CG-CB 4.33Å; K32-F154 HydrophobicContact CG-CD1 4.22Å; K32-F154 HydrophobicContact CG-CD2 4.38Å; K32-F154 HydrophobicContact CG-CG 4.06Å; I33-F154 HydrophobicContact CG1-CB 3.92Å; F73-F154 HydrophobicContact CB-CD1 3.88Å; F73-F154 HydrophobicContact CB-CE1 4.08Å; F73-F154 HydrophobicContact CG-CD1 4.5Å; A74-F154 CarbonylContact O-C 3.58Å; A74-F154 WeakPolarHBondContact O-CA 3.36Å; A74-F154 WeakPolarHBondContact O-CD1 3.47Å; P75-F154 HydrophobicContact CG-CE1 4.49Å; N151-F154 HydrophobicContact CB-CD2 4.26Å; N151-F154 HydrophobicContact CB-CE2 3.94Å; N151-F154 VanDerWaalsContact O-CE2 3.27Å; N151-F154 WeakPolarHBondContact O-CE2 3.42Å |
| 155 | V | 93.7 | Very high | 75.7 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.6 | 164 | -69.7 | 0 | 0 | 0 | 0 | 109.4 | F73 A74 L76 R140 Y157 | F73-V155 WeakPolarHBondContact CA-O 3.28Å; A74-V155 HydrophobicContact CB-CG2 4.15Å; A74-V155 PolarHBondContact N-O 3.02Å; A74-V155 WeakPolarHBondContact O-CG2 3.44Å; A74-V155 PolarHBondContact O-N 2.75Å; L76-V155 HydrophobicContact CB-CG1 4.38Å; L76-V155 HydrophobicContact CD1-CG1 3.68Å; R140-V155 HydrophobicContact CG-CG1 3.99Å; V155-Y157 HydrophobicContact CB-CE2 4.35Å; V155-Y157 HydrophobicContact CG2-CD2 4.11Å; V155-Y157 HydrophobicContact CG2-CE2 3.33Å |
| 156 | L | 96.2 | Very high | 75.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140.9 | 172.5 | 179.6 | 154.2 | 0 | 0 | 0 | 109.2 | L24 L29 I44 F72 F73 Y139 | L24-L156 HydrophobicContact CB-CD2 4.38Å; L24-L156 HydrophobicContact CD1-CD2 4.29Å; L24-L156 HydrophobicContact CD2-CD1 3.94Å; L24-L156 HydrophobicContact CD2-CD2 3.91Å; L24-L156 HydrophobicContact CG-CD2 4.43Å; L29-L156 HydrophobicContact CB-CB 4.33Å; L29-L156 HydrophobicContact CD1-CB 4.14Å; L29-L156 HydrophobicContact CD2-CB 4.36Å; I44-L156 HydrophobicContact CD1-CD1 3.91Å; F72-L156 CarbonylContact O-C 3.49Å; F72-L156 WeakPolarHBondContact O-CA 3.25Å; F73-L156 HydrophobicContact CD1-CB 4.1Å; F73-L156 HydrophobicContact CD1-CD1 4.4Å; F73-L156 HydrophobicContact CD1-CG 4.46Å; F73-L156 HydrophobicContact CE1-CB 4.12Å; F73-L156 HydrophobicContact CE1-CD1 3.81Å; F73-L156 HydrophobicContact CE1-CG 4.33Å; F73-L156 HydrophobicContact CZ-CD1 4.35Å; Y139-L156 WeakPolarHBondContact CB-O 3.46Å; Y139-L156 HydrophobicContact CD2-CD2 3.61Å; Y139-L156 HydrophobicContact CE2-CD2 4.17Å; Y139-L156 HydrophobicContact CG-CD2 4.08Å; Y139-L156 PolarHBondContact N-O 2.97Å; Y139-L156 PolarHBondContact O-N 3.05Å |
| 157 | Y | 96.6 | Very high | 75.4 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.1 | 178.3 | -70.4 | -72 | 0 | 0 | 0 | 111.1 | L49 F71 F72 A74 L119 M136 H137 E138 V155 | L49-Y157 HydrophobicContact CD1-CD1 3.93Å; L49-Y157 HydrophobicContact CD1-CD2 3.5Å; L49-Y157 VanDerWaalsContact CD1-CD2 3.5Å; L49-Y157 HydrophobicContact CD1-CE1 3.68Å; L49-Y157 HydrophobicContact CD1-CE2 3.24Å; L49-Y157 HydrophobicContact CD1-CG 3.83Å; L49-Y157 HydrophobicContact CG-CD2 4.08Å; L49-Y157 HydrophobicContact CG-CE2 3.94Å; F71-Y157 WeakPolarHBondContact CA-O 3.42Å; F72-Y157 PolarHBondContact N-O 2.78Å; F72-Y157 PolarHBondContact O-N 3.11Å; A74-Y157 HydrophobicContact CB-CD2 4.1Å; A74-Y157 HydrophobicContact CB-CE2 3.81Å; L119-Y157 HydrophobicContact CD1-CE1 4.26Å; M136-Y157 HydrophobicContact CE-CD1 4.37Å; M136-Y157 HydrophobicContact CG-CD1 3.54Å; M136-Y157 HydrophobicContact CG-CE1 4.22Å; M136-Y157 HydrophobicContact CG-CG 4.32Å; M136-Y157 HydrophobicContact SD-CD1 3.32Å; M136-Y157 WeakPolarHBondContact SD-CD1 3.48Å; M136-Y157 HydrophobicContact SD-CE1 3.61Å; M136-Y157 HydrophobicContact SD-CG 4Å; H137-Y157 WeakPolarHBondContact O-CA 3.13Å; E138-Y157 HydrophobicContact CB-CD1 3.98Å; E138-Y157 HydrophobicContact CB-CE1 3.5Å; E138-Y157 HydrophobicContact CG-CD1 4.24Å; E138-Y157 HydrophobicContact CG-CE1 3.45Å; E138-Y157 VanDerWaalsContact CG-CE1 3.45Å; E138-Y157 PolarHBondContact OE2-OH 2.64Å; V155-Y157 HydrophobicContact CB-CE2 4.35Å; V155-Y157 HydrophobicContact CG2-CD2 4.11Å; V155-Y157 HydrophobicContact CG2-CE2 3.33Å |
| 158 | R | 96.8 | Very high | 75.4 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115.1 | 166 | 173.3 | 179.4 | 171.2 | 160.7 | -4.4 | 107.9 | P19 E69 W70 F71 M136 H137 Y139 | P19-R158 PolarHBondContact O-NH1 3.18Å; E69-R158 VanDerWaalsContact CD-NE 3.33Å; E69-R158 IonicContact OE1-CZ 3.86Å; E69-R158 IonicContact OE1-NE 3.64Å; E69-R158 PolarHBondContact OE1-NE 2.88Å; E69-R158 IonicContact OE1-NH2 2.72Å; E69-R158 PolarHBondContact OE1-NH2 3.5Å; E69-R158 IonicContact OE2-CZ 2.63Å; E69-R158 IonicContact OE2-NE 3.74Å; E69-R158 PolarHBondContact OE2-NE 3.45Å; E69-R158 IonicContact OE2-NH2 2.7Å; E69-R158 PolarHBondContact OE2-NH2 3.1Å; W70-R158 CarbonylContact O-C 3.55Å; W70-R158 WeakPolarHBondContact O-CA 3.33Å; F71-R158 HydrophobicContact CD1-CB 4.01Å; F71-R158 HydrophobicContact CD1-CG 4.25Å; F71-R158 HydrophobicContact CE1-CB 3.8Å; F71-R158 HydrophobicContact CE1-CG 3.66Å; F71-R158 HydrophobicContact CE2-CG 4.5Å; F71-R158 HydrophobicContact CZ-CB 4.43Å; F71-R158 HydrophobicContact CZ-CG 3.79Å; M136-R158 CarbonylContact C-O 3.46Å; M136-R158 WeakPolarHBondContact CA-O 3.32Å; H137-R158 HydrophobicContact CB-CB 4.33Å; H137-R158 PolarHBondContact N-O 3.46Å; H137-R158 PolarHBondContact O-N 3.22Å; Y139-R158 HydrophobicContact CE2-CB 4.05Å |
| 159 | L | 96.8 | Very high | 75.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.6 | -178.8 | 177.5 | 78.2 | 0 | 0 | 0 | 109.6 | P54 L57 P58 E69 W70 F72 W95 W134 M136 | P54-L159 HydrophobicContact CB-CD1 4.25Å; L57-L159 HydrophobicContact CB-CD2 3.46Å; L57-L159 VanDerWaalsContact CB-CD2 3.46Å; L57-L159 HydrophobicContact CD1-CD1 4.35Å; L57-L159 HydrophobicContact CD1-CD2 3.82Å; L57-L159 HydrophobicContact CG-CD2 4.28Å; P58-L159 HydrophobicContact CG-CD2 4.44Å; E69-L159 WeakPolarHBondContact CA-O 3.49Å; W70-L159 HydrophobicContact CE3-CD2 4.02Å; W70-L159 HydrophobicContact CE3-CG 4.21Å; W70-L159 PolarHBondContact N-O 2.81Å; W70-L159 PolarHBondContact O-N 2.97Å; F72-L159 HydrophobicContact CE2-CB 4.12Å; F72-L159 HydrophobicContact CE2-CD2 4.13Å; W95-L159 HydrophobicContact CH2-CD1 3.69Å; W95-L159 HydrophobicContact CZ2-CD1 4.36Å; W134-L159 HydrophobicContact CE3-CD1 3.93Å; W134-L159 HydrophobicContact CE3-CD2 4.31Å; W134-L159 HydrophobicContact CE3-CG 4.11Å; W134-L159 HydrophobicContact CZ3-CD1 4.46Å; W134-L159 HydrophobicContact CZ3-CD2 4.04Å; W134-L159 HydrophobicContact CZ3-CG 4.17Å; M136-L159 HydrophobicContact CB-CD1 4.48Å; M136-L159 HydrophobicContact CE-CD1 4.08Å |
| 160 | F | 95.7 | Very high | 75.2 | Confident | 23 Ų | 23 | 63 Ų | 63 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 159.2 | 173 | 60.4 | -71.7 | 0 | 0 | 0 | 110.4 | P68 E69 I135 H137 E165 | P68-F160 WeakPolarHBondContact O-CA 3.47Å; P68-F160 WeakPolarHBondContact O-CB 3.31Å; E69-F160 HydrophobicContact CG-CB 4.15Å; I135-F160 HydrophobicContact CB-CD1 4.12Å; I135-F160 HydrophobicContact CB-CD2 4.31Å; I135-F160 HydrophobicContact CB-CE1 3.62Å; I135-F160 HydrophobicContact CB-CE2 3.87Å; I135-F160 HydrophobicContact CB-CG 4.43Å; I135-F160 HydrophobicContact CB-CZ 3.49Å; I135-F160 VanDerWaalsContact CB-CZ 3.49Å; I135-F160 HydrophobicContact CG1-CE2 4.09Å; I135-F160 HydrophobicContact CG1-CZ 4.12Å; I135-F160 HydrophobicContact CG2-CD1 4.46Å; I135-F160 HydrophobicContact CG2-CE1 3.52Å; I135-F160 HydrophobicContact CG2-CE2 4.18Å; I135-F160 HydrophobicContact CG2-CZ 3.36Å; I135-F160 PolarHBondContact N-O 2.71Å; I135-F160 PolarHBondContact O-N 3.46Å; I135-F160 VanDerWaalsContact O-O 3.13Å; H137-F160 AromaticContact CE1-CE1 3.48Å; H137-F160 VanDerWaalsContact CE1-CE1 3.48Å; H137-F160 WeakPolarHBondContact CE1-CE1 3.27Å; H137-F160 AromaticContact CE1-CZ 3.64Å; H137-F160 AromaticContact ND1-CE1 3.46Å; H137-F160 WeakPolarHBondContact ND1-CE1 3.39Å; F160-E165 VanDerWaalsContact CD2-OE1 3.32Å; F160-E165 WeakPolarHBondContact CD2-OE1 3.39Å |
| 161 | N | 95.2 | Very high | 74.9 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 114.2 | 178.8 | -175.5 | 9.3 | 0 | 0 | 0 | 110.5 | A133 W134 N163 E164 | A133-N161 WeakPolarHBondContact CB-OD1 3.19Å; W134-N161 HydrophobicContact CD2-CB 4.11Å; W134-N161 HydrophobicContact CE3-CB 3.83Å; W134-N161 HydrophobicContact CH2-CB 4.01Å; W134-N161 HydrophobicContact CZ2-CB 4.27Å; W134-N161 HydrophobicContact CZ3-CB 3.81Å; N161-N163 PolarHBondContact O-N 2.9Å; N161-E164 HydrophobicContact CB-CG 4.38Å; N161-E164 PolarHBondContact ND2-OE1 3.13Å; N161-E164 PolarHBondContact O-N 3.33Å |
| 162 | K | 90.1 | Very high | 74.3 | Confident | 86 Ų | 86 | 61.6 Ų | 61.6 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -28.3 | -174.2 | -179.4 | 172.8 | -177.6 | -66.7 | 0 | 113.8 | A133 E164 E166 | A133-K162 HydrophobicContact CB-CB 4.42Å; A133-K162 PolarHBondContact O-N 3.47Å; A133-K162 VanDerWaalsContact O-N 3.08Å; K162-E164 VanDerWaalsContact C-N 3.29Å; K162-E164 PolarHBondContact O-N 2.7Å; K162-E166 IonicContact NZ-OE1 3.35Å; K162-E166 PolarHBondContact NZ-OE1 2.59Å; K162-E166 IonicContact NZ-OE2 3.98Å; K162-E166 PolarHBondContact NZ-OE2 2.66Å |
| 163 | N | 82.4 | Confident | 73.1 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.8 | -28.4 | -179.8 | -72.3 | 19.9 | 0 | 0 | 0 | 112.6 | A133 N161 E166 S167 | A133-N163 HydrophobicContact CB-CB 4.42Å; A133-N163 WeakPolarHBondContact CB-OD1 3.46Å; N161-N163 PolarHBondContact O-N 2.9Å; N163-E166 PolarHBondContact O-N 2.81Å; N163-S167 PolarHBondContact O-N 2.7Å; N163-S167 PolarHBondContact O-OG 2.8Å |
| 164 | E | 64.7 | Low | 71 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -77.2 | -34.2 | -179.4 | -71.7 | 153.7 | -149.7 | 0 | 0 | 110.6 | P68 W70 N161 K162 E166 S167 | P68-E164 HydrophobicContact CB-CB 4.15Å; W70-E164 WeakPolarHBondContact CH2-OE2 3.46Å; N161-E164 HydrophobicContact CB-CG 4.38Å; N161-E164 PolarHBondContact ND2-OE1 3.13Å; N161-E164 PolarHBondContact O-N 3.33Å; K162-E164 VanDerWaalsContact C-N 3.29Å; K162-E164 PolarHBondContact O-N 2.7Å; E164-E166 PolarHBondContact O-N 3.03Å; E164-S167 PolarHBondContact O-N 2.7Å |
| 165 | E | 58.4 | Low | 68.9 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.8 | -28.6 | 171.4 | -59.1 | 177.3 | 147.8 | 0 | 0 | 113.6 | P68 F160 | P68-E165 HydrophobicContact CG-CG 4.39Å; F160-E165 VanDerWaalsContact CD2-OE1 3.32Å; F160-E165 WeakPolarHBondContact CD2-OE1 3.39Å |
| 166 | E | 51.3 | Low | 66.4 | Low | 108 Ų | 108 | 78.6 Ų | 78.6 | 51% | 0.505 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -96.6 | -17.2 | -178.4 | -75.8 | 173.8 | 153.9 | 0 | 0 | 113.7 | K162 N163 E164 A169 | K162-E166 IonicContact NZ-OE1 3.35Å; K162-E166 PolarHBondContact NZ-OE1 2.59Å; K162-E166 IonicContact NZ-OE2 3.98Å; K162-E166 PolarHBondContact NZ-OE2 2.66Å; N163-E166 PolarHBondContact O-N 2.81Å; E164-E166 PolarHBondContact O-N 3.03Å; E166-A169 PolarHBondContact O-N 2.98Å |
| 167 | S | 51 | Low | 63.5 | Low | 66 Ų | 66 | 84 Ų | 84 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.3 | -32.1 | -176.1 | -62.3 | 0 | 0 | 0 | 0 | 113 | N163 E164 A169 S170 | N163-S167 PolarHBondContact O-N 2.7Å; N163-S167 PolarHBondContact O-OG 2.8Å; E164-S167 PolarHBondContact O-N 2.7Å; S167-A169 PolarHBondContact O-N 3.4Å; S167-S170 PolarHBondContact O-OG 3.18Å |
| 168 | E | 50.1 | Low | 60.8 | Low | 190 Ų | 190 | 90.5 Ų | 90.5 | 89% | 0.888 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74.6 | -8.2 | 174.4 | -61.7 | -162.3 | 144.5 | 0 | 0 | 113.4 | ||
| 169 | A | 51.7 | Low | 58.1 | Low | 76 Ų | 76 | 93.4 Ų | 93.4 | 63% | 0.628 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -101.5 | -15.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E166 S167 | E166-A169 PolarHBondContact O-N 2.98Å; S167-A169 PolarHBondContact O-N 3.4Å |
| 170 | S | 48 | Very low | 55.9 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 46% | 0.462 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -83.2 | -32.5 | -177.3 | 47.6 | 0 | 0 | 0 | 0 | 114.4 | S167 A172 A173 | S167-S170 PolarHBondContact O-OG 3.18Å; S170-A172 PolarHBondContact O-N 3.13Å; S170-A173 PolarHBondContact O-N 3.36Å |
| 171 | D | 46.5 | Very low | 53.5 | Low | 148 Ų | 148 | 103.5 Ų | 103.5 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 7.3 | -161.9 | -68.5 | 15.3 | 0 | 0 | 0 | 114.1 | ||
| 172 | A | 49.3 | Very low | 51 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 3.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S170 | S170-A172 PolarHBondContact O-N 3.13Š|
| 173 | A | 43.8 | Very low | 49.4 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | trans | -129.7 | 31.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S170 | S170-A173 PolarHBondContact O-N 3.36Š| ||
| 174 | D | 41.3 | Very low | 47.6 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -124 | 125.5 | 167.4 | -154.6 | -9.1 | 0 | 0 | 0 | 111.9 | ||||
| 175 | S | 47.3 | Very low | 46.7 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -165.5 | 84 | -178.5 | -80.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 176 | P | 41 | Very low | 45.9 | Very low | 104 Ų | 104 | 117.9 Ų | 117.9 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -81.2 | 140.9 | -170.7 | 30 | -34.8 | 0 | 0 | 0 | 114.1 | ||||
| 177 | S | 36.5 | Very low | 45.5 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 58.3 | 98.3 | 154.6 | 57.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 178 | T | 38.9 | Very low | 45 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 91% | 0.914 | 76% | 0.758 | S | S | * | * | trans | -81.6 | 133.1 | 142.7 | -63 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 179 | S | 39.5 | Very low | 44.4 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -81.9 | 155.9 | -172.3 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 180 | S | 51.4 | Low | 43.8 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -155.3 | 127.4 | 167.5 | -75.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 181 | P | 45.6 | Very low | 43.5 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 144.6 | -171.8 | 34.7 | -34.6 | 0 | 0 | 0 | 113.5 | ||
| 182 | P | 43.1 | Very low | 43.2 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 146.8 | 167.7 | 34 | -32.8 | 0 | 0 | 0 | 111.9 | ||
| 183 | I | 54.9 | Low | 42.7 | Very low | 171 Ų | 171 | 126 Ų | 126 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 132 | 176.4 | -65.2 | 171.8 | 0 | 0 | 0 | 109.4 | ||
| 184 | A | 45.1 | Very low | 42.4 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 162.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 185 | P | 45.7 | Very low | 42.3 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | -146.8 | -161.7 | 75.2 | 45.7 | -26.9 | 0 | 0 | 0 | 111.8 | |||||
| 186 | E | 41.8 | Very low | 41.6 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | cis | -161 | 176.8 | 0.2 | -147.5 | -171.5 | 125.6 | 0 | 0 | 111.1 | ||||
| 187 | V | 43.6 | Very low | 41.4 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 58% | 0.582 | 77% | 0.765 | S | S | * | * | trans | 75.4 | 116.8 | 151.8 | 178.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 188 | K | 40.5 | Very low | 41.5 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | 75.3 | 111.4 | 154.1 | -72.9 | 158.8 | -167 | 167.4 | 0 | 120.6 | ||||
| 189 | T | 36.9 | Very low | 41.3 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | 61.8 | 137 | 75.9 | 10.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 190 | E | 40.3 | Very low | 41.1 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | cis | -149.7 | 161.3 | 26 | -57.8 | -176.6 | 173.9 | 0 | 0 | 116.6 | ||||
| 191 | N | 40.4 | Very low | 40.5 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 59.6 | 143.7 | 137.7 | -71.8 | -28.4 | 0 | 0 | 0 | 121.7 | ||||
| 192 | L | 39.9 | Very low | 40.2 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | cis | -165 | 154.9 | -6.2 | -168.4 | 66.4 | 0 | 0 | 0 | 111.9 | ||||
| 193 | S | 39.3 | Very low | 39.9 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 46.1 | 118.4 | 156.8 | 56.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 194 | Q | 37 | Very low | 39 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | 53.9 | 157.4 | 67.3 | -98.8 | -170.1 | 13.4 | 0 | 0 | 116.8 | |||||
| 195 | P | 40.2 | Very low | 38.4 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | cis | -146.9 | 174.4 | -6 | 35.6 | -13 | 0 | 0 | 0 | 119.3 | ||||
| 196 | T | 32.2 | Very low | 37.4 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | 71.7 | 148 | 140.2 | 45.5 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 197 | S | 35.8 | Very low | 37.2 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | 97.9 | 137.1 | 144.7 | -156.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 198 | A | 38.3 | Very low | 36.6 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | cis | -171.8 | 159.6 | -27.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 199 | K | 36.1 | Very low | 36.4 | Very low | 188 Ų | 188 | 127 Ų | 127 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | 66.4 | 158 | 159.7 | -95.8 | -176.7 | 176.3 | -170.6 | 0 | 116.8 | ||||
| 200 | M | 35.2 | Very low | 36.5 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | cis | -155.2 | 161.7 | -10.8 | -155.4 | 153.9 | 172.8 | 0 | 0 | 109.9 | ||||
| 201 | S | 37.7 | Very low | 36 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | -133.4 | 152.6 | 164.3 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 202 | P | 40.2 | Very low | 35.8 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | -154 | 137.1 | 119.4 | 35.9 | -16.8 | 0 | 0 | 0 | 118.3 | |||||
| 203 | H | 36.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 126 Ų | 126 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | 45.8 | 127.2 | 123.6 | -61 | -71.9 | 0 | 0 | 0 | 125.8 | |||||
| 204 | I | 35.5 | Very low | 35 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 66.3 | 128 | 121.5 | -59.2 | 168.8 | 0 | 0 | 0 | 120.9 | |||||
| 205 | A | 32.1 | Very low | 34.9 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -156.6 | 122.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 206 | T | 26.7 | Very low | 34.7 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -115.5 | 139.2 | 164 | -62.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 207 | V | 37.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | -115.8 | 130.5 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 208 | S | 30.7 | Very low | 34.8 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -147.7 | 138.6 | 167 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 209 | S | 35.5 | Very low | 35.2 | Very low | 86 Ų | 86 | 132 Ų | 132 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | -163.7 | 138.4 | 176.6 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 210 | N | 38.6 | Very low | 35.5 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | 84.1 | 97.7 | 155.3 | -48.4 | -24.6 | 0 | 0 | 0 | 118.8 | ||||
| 211 | E | 30.1 | Very low | 36 | Very low | 150 Ų | 150 | 126 Ų | 126 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -76 | 165.7 | 143.2 | -150.3 | -161.2 | 114 | 0 | 0 | 109.4 | T213 | E211-T213 WeakPolarHBondContact OE1-CA 3.39Å; E211-T213 PolarHBondContact OE1-N 3.34Å; E211-T213 PolarHBondContact OE1-OG1 3.15Å | ||
| 212 | P | 37 | Very low | 36.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | -152.4 | 126.3 | 94.6 | 36.3 | -16.9 | 0 | 0 | 0 | 116.9 | |||||
| 213 | T | 28.9 | Very low | 37.1 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | trans | 28.6 | 108.7 | 130.2 | -38 | 0 | 0 | 0 | 0 | 118.8 | E211 | E211-T213 WeakPolarHBondContact OE1-CA 3.39Å; E211-T213 PolarHBondContact OE1-N 3.34Å; E211-T213 PolarHBondContact OE1-OG1 3.15Å | ||
| 214 | S | 34.4 | Very low | 37.8 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | -171.4 | 134 | 122.6 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 215 | N | 33.2 | Very low | 38.3 | Very low | 152 Ų | 152 | 122 Ų | 122 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | 56 | 130.3 | 142.6 | -59.8 | -11.7 | 0 | 0 | 0 | 122.9 | ||||
| 216 | Q | 37.3 | Very low | 39.3 | Very low | 203 Ų | 203 | 122.6 Ų | 122.6 | 95% | 0.949 | 71% | 0.713 | S | S | * | * | trans | 86.2 | 107.7 | 135.4 | -160.4 | 166.8 | 38.1 | 0 | 0 | 118.7 | ||||
| 217 | G | 34.2 | Very low | 40.4 | Very low | 61 Ų | 61 | 123.3 Ų | 123.3 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | trans | 156.7 | 54.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117 | V219 | G217-V219 VanDerWaalsContact C-N 3.34Å; G217-V219 PolarHBondContact O-N 2.91Å | ||
| 218 | D | 35.4 | Very low | 40.8 | Very low | 174 Ų | 174 | 123.6 Ų | 123.6 | 93% | 0.93 | 70% | 0.703 | S | S | * | * | trans | -67.9 | 89.3 | 170.3 | -70.7 | -57.9 | 0 | 0 | 0 | 110.9 | N220 | D218-N220 PolarHBondContact O-N 3.3Š| ||
| 219 | V | 45.9 | Very low | 41.5 | Very low | 136 Ų | 136 | 123.3 Ų | 123.3 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -80.7 | 98 | 175.4 | -76.8 | 0 | 0 | 0 | 0 | 110.6 | G217 L221 | G217-V219 VanDerWaalsContact C-N 3.34Å; G217-V219 PolarHBondContact O-N 2.91Å; V219-L221 PolarHBondContact O-N 2.95Å | ||
| 220 | N | 44.1 | Very low | 41.5 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 44% | 0.444 | 71% | 0.712 | S | S | . | * | trans | -59.2 | 122.6 | 177.9 | 174.6 | 27.4 | 0 | 0 | 0 | 111.8 | D218 L222 D223 | D218-N220 PolarHBondContact O-N 3.3Å; N220-L222 PolarHBondContact O-N 2.98Å; N220-L222 VanDerWaalsContact O-N 3.11Å; N220-L222 PolarHBondContact OD1-N 3.25Å; N220-D223 WeakPolarHBondContact CB-OD2 3.31Å; N220-D223 PolarHBondContact ND2-OD2 2.98Å; N220-D223 PolarHBondContact O-N 3.13Å | ||
| 221 | L | 45.4 | Very low | 41.4 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -21.8 | -175.5 | -139 | 169.6 | 0 | 0 | 0 | 112.6 | V219 D223 V224 | V219-L221 PolarHBondContact O-N 2.95Å; L221-D223 VanDerWaalsContact C-N 3.33Å; L221-D223 PolarHBondContact O-N 3.44Å; L221-V224 PolarHBondContact O-N 3.46Å |
| 222 | L | 47.8 | Very low | 41.9 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 61% | 0.613 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -64.8 | -32.7 | 172.7 | -98.9 | 60.5 | 0 | 0 | 0 | 113.2 | N220 V224 L225 T226 | N220-L222 PolarHBondContact O-N 2.98Å; N220-L222 VanDerWaalsContact O-N 3.11Å; N220-L222 PolarHBondContact OD1-N 3.25Å; L222-V224 PolarHBondContact O-N 3.27Å; L222-L225 PolarHBondContact O-N 3.26Å; L222-T226 PolarHBondContact O-N 3.26Å |
| 223 | D | 51.6 | Low | 41.8 | Very low | 90 Ų | 90 | 129 Ų | 129 | 48% | 0.481 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -79.3 | -6.4 | -176 | -65.5 | -55.6 | 0 | 0 | 0 | 113.4 | N220 L221 T226 Q227 | N220-D223 WeakPolarHBondContact CB-OD2 3.31Å; N220-D223 PolarHBondContact ND2-OD2 2.98Å; N220-D223 PolarHBondContact O-N 3.13Å; L221-D223 VanDerWaalsContact C-N 3.33Å; L221-D223 PolarHBondContact O-N 3.44Å; D223-T226 PolarHBondContact O-OG1 2.93Å; D223-Q227 PolarHBondContact O-NE2 2.63Å |
| 224 | V | 51.7 | Low | 42 | Very low | 97 Ų | 97 | 132 Ų | 132 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -87.7 | -29.5 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 111 | L221 L222 T226 | L221-V224 PolarHBondContact O-N 3.46Å; L222-V224 PolarHBondContact O-N 3.27Å; V224-T226 VanDerWaalsContact C-N 3.33Å |
| 225 | L | 45.9 | Very low | 42 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 62% | 0.618 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -76.5 | -20.1 | 179.5 | -65.2 | 172.8 | 0 | 0 | 0 | 113 | L222 Q227 | L222-L225 PolarHBondContact O-N 3.26Å; L225-Q227 VanDerWaalsContact C-N 3.28Å; L225-Q227 PolarHBondContact O-N 3.19Å |
| 226 | T | 53.6 | Low | 41.9 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 5.9 | 178.9 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | L222 D223 V224 | L222-T226 PolarHBondContact O-N 3.26Å; D223-T226 PolarHBondContact O-OG1 2.93Å; V224-T226 VanDerWaalsContact C-N 3.33Å |
| 227 | Q | 50.9 | Low | 41.7 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 71% | 0.71 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 8.6 | -173.3 | -65.2 | -176.9 | 65 | 0 | 0 | 114.7 | D223 L225 | D223-Q227 PolarHBondContact O-NE2 2.63Å; L225-Q227 VanDerWaalsContact C-N 3.28Å; L225-Q227 PolarHBondContact O-N 3.19Å |
| 228 | L | 44.6 | Very low | 41.6 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -85.5 | 130.9 | 172.8 | -71.8 | 173.4 | 0 | 0 | 0 | 110.7 | ||
| 229 | P | 46 | Very low | 41.5 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 140.9 | -178.3 | -21.8 | 33.4 | 0 | 0 | 0 | 113.8 | L231 | P229-L231 PolarHBondContact O-N 2.66Š|
| 230 | D | 34.9 | Very low | 41.1 | Very low | 167 Ų | 167 | 131 Ų | 131 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.7 | 174.7 | -65.1 | -63.2 | 0 | 0 | 0 | 111.8 | ||
| 231 | L | 37.2 | Very low | 40.7 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | trans | -108.4 | 131 | 168 | -71.4 | 175.4 | 0 | 0 | 0 | 109.7 | P229 | P229-L231 PolarHBondContact O-N 2.66Š| ||
| 232 | H | 39 | Very low | 40.1 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | trans | -63.9 | 135.1 | -164.7 | -120.9 | -97.1 | 0 | 0 | 0 | 113.7 | E234 | H232-E234 PolarHBondContact O-N 2.95Š| ||
| 233 | P | 35 | Very low | 39.7 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | trans | -90.4 | 91.4 | -179 | 34.6 | -33.6 | 0 | 0 | 0 | 112.4 | ||||
| 234 | E | 34 | Very low | 39.2 | Very low | 173 Ų | 173 | 126 Ų | 126 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | trans | -138.2 | 68.6 | 172.4 | -90.5 | -62.6 | 149.7 | 0 | 0 | 111.4 | H232 | H232-E234 PolarHBondContact O-N 2.95Š| ||
| 235 | Q | 34 | Very low | 38.8 | Very low | 175 Ų | 175 | 121.7 Ų | 121.7 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -161.3 | 107.5 | 154.8 | -116.8 | 172.1 | 15.5 | 0 | 0 | 109.7 | F237 | Q235-F237 PolarHBondContact O-N 3.37Š| ||
| 236 | A | 30.7 | Very low | 38.9 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 69% | 0.694 | 65% | 0.654 | S | S | * | * | trans | -67.6 | 128.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D238 | A236-D238 WeakPolarHBondContact CB-OD1 3.13Š| ||
| 237 | F | 33.4 | Very low | 39 | Very low | 188 Ų | 188 | 116 Ų | 116 | 83% | 0.825 | 63% | 0.632 | S | S | * | * | trans | -124.4 | 58.6 | 171.3 | -117.2 | -81 | 0 | 0 | 0 | 108.4 | Q235 G239 | Q235-F237 PolarHBondContact O-N 3.37Å; F237-G239 PolarHBondContact O-N 2.81Å; F237-G239 VanDerWaalsContact O-N 3.16Å | ||
| 238 | D | 32.5 | Very low | 39.2 | Very low | 147 Ų | 147 | 113.4 Ų | 113.4 | 79% | 0.786 | 62% | 0.616 | S | S | * | * | trans | -79.8 | 90.4 | -176 | 47.4 | -50.1 | 0 | 0 | 0 | 111.5 | A236 | A236-D238 WeakPolarHBondContact CB-OD1 3.13Š| ||
| 239 | G | 33.9 | Very low | 39.4 | Very low | 58 Ų | 58 | 111 Ų | 111 | 60% | 0.598 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 128.5 | 135.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F237 | F237-G239 PolarHBondContact O-N 2.81Å; F237-G239 VanDerWaalsContact O-N 3.16Å |
| 240 | F | 38.1 | Very low | 39.1 | Very low | 156 Ų | 156 | 110.7 Ų | 110.7 | 68% | 0.684 | 59% | 0.593 | S | S | * | * | trans | -63 | 145.1 | 157.5 | -95.8 | -110.4 | 0 | 0 | 0 | 108.7 | P8 T242 | P8-F240 HydrophobicContact CB-CD2 4.4Å; P8-F240 HydrophobicContact CB-CE1 4.22Å; P8-F240 HydrophobicContact CB-CE2 3.59Å; P8-F240 HydrophobicContact CB-CZ 3.48Å; P8-F240 VanDerWaalsContact CB-CZ 3.48Å; P8-F240 HydrophobicContact CG-CE2 3.59Å; P8-F240 HydrophobicContact CG-CZ 3.53Å; F240-T242 PolarHBondContact O-N 2.85Å; F240-T242 VanDerWaalsContact O-N 3.1Å | ||
| 241 | P | 33.7 | Very low | 39.7 | Very low | 55 Ų | 55 | 104.6 Ų | 104.6 | 36% | 0.357 | 56% | 0.562 | S | S | . | * | trans | -57.8 | 123 | 163.7 | 27.7 | -34.2 | 0 | 0 | 0 | 108.3 | A39 I243 | A39-P241 HydrophobicContact CB-CB 3.76Å; A39-P241 HydrophobicContact CB-CG 3.69Å; P241-I243 PolarHBondContact O-N 2.9Å | ||
| 242 | T | 33.4 | Very low | 39.9 | Very low | 119 Ų | 119 | 102.4 Ų | 102.4 | 73% | 0.73 | 55% | 0.551 | S | S | * | * | trans | -56.3 | 110.3 | 159.7 | -57 | 0 | 0 | 0 | 0 | 106.4 | F240 T244 | F240-T242 PolarHBondContact O-N 2.85Å; F240-T242 VanDerWaalsContact O-N 3.1Å; T242-T244 VanDerWaalsContact C-N 3.34Å; T242-T244 WeakPolarHBondContact O-CG2 3.48Å; T242-T244 PolarHBondContact O-N 2.87Å | ||
| 243 | I | 40.6 | Very low | 40 | Very low | 56 Ų | 56 | 99.9 Ų | 99.9 | 29% | 0.287 | 54% | 0.54 | S | S | . | . | trans | -66 | 99.7 | -179.2 | -60 | 174.9 | 0 | 0 | 0 | 106.8 | P241 S245 M247 | P241-I243 PolarHBondContact O-N 2.9Å; I243-S245 PolarHBondContact O-N 2.85Å; I243-M247 HydrophobicContact CD1-SD 3.6Å; I243-M247 VanDerWaalsContact CD1-SD 3.6Å; I243-M247 HydrophobicContact CG2-CG 4.06Å; I243-M247 HydrophobicContact CG2-SD 4.37Å | ||
| 244 | T | 40.9 | Very low | 40.3 | Very low | 84 Ų | 84 | 99.6 Ų | 99.6 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | trans | -73 | -9.3 | -171.9 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | H38 D40 T242 | H38-T244 PolarHBondContact NE2-OG1 3.36Å; D40-T244 PolarHBondContact OD2-N 2.92Å; D40-T244 PolarHBondContact OD2-OG1 3.48Å; T242-T244 VanDerWaalsContact C-N 3.34Å; T242-T244 WeakPolarHBondContact O-CG2 3.48Å; T242-T244 PolarHBondContact O-N 2.87Å | ||
| 245 | S | 43.5 | Very low | 40.6 | Very low | 6 Ų | 6 | 98.1 Ų | 98.1 | 4% | 0.042 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -93.9 | 139.6 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | H27 Y28 I243 M247 | H27-S245 WeakPolarHBondContact CB-OG 3.35Å; Y28-S245 WeakPolarHBondContact CE2-OG 3.3Å; Y28-S245 WeakPolarHBondContact OH-CB 3.44Å; Y28-S245 PolarHBondContact OH-OG 3.05Å; Y28-S245 VanDerWaalsContact OH-OG 3.13Å; I243-S245 PolarHBondContact O-N 2.85Å; S245-M247 PolarHBondContact O-N 3.37Å |
| 246 | P | 47.3 | Very low | 40.8 | Very low | 66 Ų | 66 | 98.6 Ų | 98.6 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | trans | -62.6 | 100.5 | -177.9 | -26.1 | 36.9 | 0 | 0 | 0 | 113.2 | E23 R248 | E23-P246 WeakPolarHBondContact OE1-CD 3.33Å; E23-P246 WeakPolarHBondContact OE1-CG 3.32Å; P246-R248 HydrophobicContact CB-CG 4.34Å; P246-R248 WeakPolarHBondContact O-CG 3.19Å | ||
| 247 | M | 55.3 | Low | 41 | Very low | 39 Ų | 39 | 98.1 Ų | 98.1 | 19% | 0.192 | 53% | 0.532 | C | S | . | . | trans | -71.3 | 125.5 | 156.9 | -63 | -159.1 | 75.3 | 0 | 0 | 107.7 | L11 F15 I243 S245 | L11-M247 HydrophobicContact CD1-CE 3.63Å; L11-M247 HydrophobicContact CD1-SD 3.54Å; L11-M247 VanDerWaalsContact CD1-SD 3.54Å; L11-M247 HydrophobicContact CD2-SD 3.91Å; L11-M247 HydrophobicContact CG-SD 4.39Å; F15-M247 HydrophobicContact CD1-CB 3.89Å; F15-M247 WeakPolarHBondContact CD1-O 3.36Å; F15-M247 WeakPolarHBondContact CE1-O 3.28Å; I243-M247 HydrophobicContact CD1-SD 3.6Å; I243-M247 VanDerWaalsContact CD1-SD 3.6Å; I243-M247 HydrophobicContact CG2-CG 4.06Å; I243-M247 HydrophobicContact CG2-SD 4.37Å; S245-M247 PolarHBondContact O-N 3.37Å | ||
| 248 | R | 55.4 | Low | 41.3 | Very low | 97 Ų | 97 | 96.8 Ų | 96.8 | 37% | 0.366 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.6 | -168.2 | -58.2 | -178.5 | -176.5 | -144.2 | -1.8 | 110.4 | R16 E23 P246 | R16-R248 PolarHBondContact N-O 2.64Å; E23-R248 VanDerWaalsContact CD-NH2 3.34Å; E23-R248 IonicContact OE1-CZ 2.95Å; E23-R248 IonicContact OE1-NE 2.64Å; E23-R248 IonicContact OE1-NH2 2.78Å; E23-R248 PolarHBondContact OE1-NH2 3.36Å; E23-R248 IonicContact OE2-CZ 3.59Å; E23-R248 IonicContact OE2-NH2 2.86Å; E23-R248 PolarHBondContact OE2-NH2 3.14Å; P246-R248 HydrophobicContact CB-CG 4.34Å; P246-R248 WeakPolarHBondContact O-CG 3.19Å |
| 249 | P | 49.6 | Very low | 41.6 | Very low | 86 Ų | 86 | 92.7 Ų | 92.7 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 144.3 | 163.8 | -23.8 | 34.6 | 0 | 0 | 0 | 111.2 | F15 | F15-P249 HydrophobicContact CE2-CG 4.27Å; F15-P249 HydrophobicContact CZ-CG 4.17Å |
| 250 | Y | 39.2 | Very low | 41.6 | Very low | 104 Ų | 104 | 92.6 Ų | 92.6 | 41% | 0.408 | 52% | 0.519 | S | S | . | . | trans | -64.4 | 141.1 | 176.2 | 176.5 | -84.2 | 0 | 0 | 0 | 112.3 | G14 D252 | G14-Y250 PolarHBondContact O-N 3.17Å; Y250-D252 HydrophobicContact CE1-CB 4.42Å; Y250-D252 WeakPolarHBondContact CE1-OD1 3.26Å; Y250-D252 PolarHBondContact OH-OD1 2.82Å | ||
| 251 | T | 46.6 | Very low | 42.1 | Very low | 39 Ų | 39 | 91.9 Ų | 91.9 | 24% | 0.239 | 52% | 0.523 | C | S | . | . | trans | -137.6 | 139 | 169.5 | 70.6 | 0 | 0 | 0 | 0 | 109.6 | H253 Y267 | T251-H253 PolarHBondContact O-N 2.76Å; T251-H253 VanDerWaalsContact O-N 3.09Å; T251-Y267 WeakPolarHBondContact CG2-OH 3.14Å | ||
| 252 | D | 42.5 | Very low | 42.8 | Very low | 121 Ų | 121 | 97.6 Ų | 97.6 | 65% | 0.647 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -74.2 | 12.3 | -178.5 | -62.2 | -91.2 | 0 | 0 | 0 | 114.2 | Y250 | Y250-D252 HydrophobicContact CE1-CB 4.42Å; Y250-D252 WeakPolarHBondContact CE1-OD1 3.26Å; Y250-D252 PolarHBondContact OH-OD1 2.82Å |
| 253 | H | 39.5 | Very low | 43.7 | Very low | 130 Ų | 130 | 96.5 Ų | 96.5 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -118.9 | 121.8 | -167.6 | -63.2 | -17.5 | 0 | 0 | 0 | 111.4 | T251 F255 | T251-H253 PolarHBondContact O-N 2.76Å; T251-H253 VanDerWaalsContact O-N 3.09Å; H253-F255 PolarHBondContact O-N 3.28Å |
| 254 | P | 42.3 | Very low | 44.2 | Very low | 109 Ų | 109 | 98.3 Ų | 98.3 | 71% | 0.708 | 54% | 0.544 | S | S | * | . | trans | -68.4 | 97.7 | 176.2 | 28.1 | -33.3 | 0 | 0 | 0 | 109.2 | F256 | P254-F256 WeakPolarHBondContact O-CD2 3.44Å; P254-F256 PolarHBondContact O-N 3.23Å | ||
| 255 | F | 39.8 | Very low | 44.8 | Very low | 142 Ų | 142 | 97.4 Ų | 97.4 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | trans | -61.9 | 103.7 | -175.3 | -129.5 | -84.1 | 0 | 0 | 0 | 110.5 | H253 G257 | H253-F255 PolarHBondContact O-N 3.28Å; F255-G257 PolarHBondContact O-N 2.86Å | ||
| 256 | F | 37.9 | Very low | 45.3 | Very low | 185 Ų | 185 | 99.6 Ų | 99.6 | 81% | 0.811 | 56% | 0.56 | S | S | * | * | trans | -67.9 | 85.1 | 168.1 | -78.5 | -91.7 | 0 | 0 | 0 | 108.1 | P254 N258 | P254-F256 WeakPolarHBondContact O-CD2 3.44Å; P254-F256 PolarHBondContact O-N 3.23Å; F256-N258 PolarHBondContact O-N 2.93Å | ||
| 257 | G | 34.9 | Very low | 45.3 | Very low | 74 Ų | 74 | 100 Ų | 100 | 76% | 0.763 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 61.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F255 | F255-G257 PolarHBondContact O-N 2.86Š|
| 258 | N | 40.1 | Very low | 45.2 | Very low | 159 Ų | 159 | 102.1 Ų | 102.1 | 85% | 0.85 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.9 | 3.4 | 179.3 | -157.8 | 90.9 | 0 | 0 | 0 | 112.4 | F256 | F256-N258 PolarHBondContact O-N 2.93Š|
| 259 | A | 38.9 | Very low | 45.2 | Very low | 61 Ų | 61 | 102 Ų | 102 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -81.2 | 148.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 260 | G | 35.1 | Very low | 45.2 | Very low | 57 Ų | 57 | 100 Ų | 100 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | trans | -85.2 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q262 D263 | G260-Q262 PolarHBondContact O-N 3.35Å; G260-D263 PolarHBondContact O-N 3.05Å | ||
| 261 | D | 47.2 | Very low | 45.8 | Very low | 141 Ų | 141 | 99.8 Ų | 99.8 | 75% | 0.754 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -5.5 | -172.7 | -61.5 | -43.1 | 0 | 0 | 0 | 115.8 | ||
| 262 | Q | 48 | Very low | 46.1 | Very low | 174 Ų | 174 | 103.3 Ų | 103.3 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.9 | -24.4 | 179.3 | -65.9 | 178.3 | -11.2 | 0 | 0 | 113.9 | G260 L264 S265 | G260-Q262 PolarHBondContact O-N 3.35Å; Q262-L264 VanDerWaalsContact C-N 3.33Å; Q262-S265 PolarHBondContact O-OG 2.75Å |
| 263 | D | 53.4 | Low | 46.4 | Very low | 96 Ų | 96 | 101.9 Ų | 101.9 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.2 | -20 | 177.8 | -108.5 | -20.2 | 0 | 0 | 0 | 112.5 | G260 Y267 | G260-D263 PolarHBondContact O-N 3.05Å; D263-Y267 VanDerWaalsContact O-CB 3.23Å; D263-Y267 WeakPolarHBondContact O-CB 3.32Å; D263-Y267 PolarHBondContact O-N 3.31Å |
| 264 | L | 51.2 | Low | 46.4 | Very low | 94 Ų | 94 | 102.1 Ų | 102.1 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.8 | -37 | -175.7 | -111.7 | 168.4 | 0 | 0 | 0 | 112.6 | Q262 I268 | Q262-L264 VanDerWaalsContact C-N 3.33Å; L264-I268 HydrophobicContact CD2-CD1 4.32Å; L264-I268 WeakPolarHBondContact O-CB 3.48Å; L264-I268 WeakPolarHBondContact O-CD1 3.48Å; L264-I268 VanDerWaalsContact O-CG1 3.25Å; L264-I268 WeakPolarHBondContact O-CG1 3.46Å; L264-I268 PolarHBondContact O-N 2.7Å |
| 265 | S | 53.1 | Low | 46.1 | Very low | 66 Ų | 66 | 104.8 Ų | 104.8 | 46% | 0.462 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.8 | -49.5 | 171.1 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | Q262 Y267 I268 D269 | Q262-S265 PolarHBondContact O-OG 2.75Å; S265-Y267 PolarHBondContact O-N 2.85Å; S265-I268 PolarHBondContact O-N 3.22Å; S265-I268 VanDerWaalsContact O-N 3.08Å; S265-D269 WeakPolarHBondContact O-CB 3.23Å; S265-D269 PolarHBondContact O-N 2.68Å |
| 266 | A | 54.9 | Low | 46.2 | Very low | 52 Ų | 52 | 103.4 Ų | 103.4 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58 | -36.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S270 | A266-S270 WeakPolarHBondContact O-CB 3.43Å; A266-S270 PolarHBondContact O-N 3.17Å |
| 267 | Y | 47.1 | Very low | 46.4 | Very low | 75 Ų | 75 | 100.4 Ų | 100.4 | 29% | 0.294 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.9 | -46.5 | 173.9 | -179.7 | -119.2 | 0 | 0 | 0 | 112.6 | T251 D263 S265 S270 I271 | T251-Y267 WeakPolarHBondContact CG2-OH 3.14Å; D263-Y267 VanDerWaalsContact O-CB 3.23Å; D263-Y267 WeakPolarHBondContact O-CB 3.32Å; D263-Y267 PolarHBondContact O-N 3.31Å; S265-Y267 PolarHBondContact O-N 2.85Å; Y267-S270 PolarHBondContact O-N 2.91Å; Y267-S270 VanDerWaalsContact O-N 3.17Å; Y267-S270 PolarHBondContact O-OG 2.79Å; Y267-I271 HydrophobicContact CD1-CD1 3.92Å; Y267-I271 HydrophobicContact CD2-CD1 4.48Å; Y267-I271 HydrophobicContact CE1-CD1 3.48Å; Y267-I271 VanDerWaalsContact CE1-CD1 3.48Å; Y267-I271 HydrophobicContact CE1-CG1 4.47Å; Y267-I271 HydrophobicContact CE2-CD1 4.08Å; Y267-I271 HydrophobicContact CE2-CG1 4.21Å; Y267-I271 HydrophobicContact CG-CD1 4.4Å; Y267-I271 WeakPolarHBondContact O-CG1 3.39Å; Y267-I271 PolarHBondContact O-N 2.87Å |
| 268 | I | 53.2 | Low | 46.8 | Very low | 82 Ų | 82 | 105.2 Ų | 105.2 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.8 | -44 | 175.9 | -71.7 | 165.9 | 0 | 0 | 0 | 110.8 | L264 S265 S270 I271 I272 | L264-I268 HydrophobicContact CD2-CD1 4.32Å; L264-I268 WeakPolarHBondContact O-CB 3.48Å; L264-I268 WeakPolarHBondContact O-CD1 3.48Å; L264-I268 VanDerWaalsContact O-CG1 3.25Å; L264-I268 WeakPolarHBondContact O-CG1 3.46Å; L264-I268 PolarHBondContact O-N 2.7Å; S265-I268 PolarHBondContact O-N 3.22Å; S265-I268 VanDerWaalsContact O-N 3.08Å; I268-S270 VanDerWaalsContact C-N 3.28Å; I268-S270 PolarHBondContact O-N 3.23Å; I268-I271 PolarHBondContact O-N 3.09Å; I268-I272 HydrophobicContact CG2-CD1 3.72Å; I268-I272 WeakPolarHBondContact O-CG1 3.36Å; I268-I272 PolarHBondContact O-N 3.19Å |
| 269 | D | 54.4 | Low | 46.8 | Very low | 94 Ų | 94 | 100.2 Ų | 100.2 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -33.8 | 175.4 | -65.2 | -30.9 | 0 | 0 | 0 | 111.3 | S265 I272 S273 | S265-D269 WeakPolarHBondContact O-CB 3.23Å; S265-D269 PolarHBondContact O-N 2.68Å; D269-I272 PolarHBondContact O-N 2.84Å; D269-S273 VanDerWaalsContact O-CB 3.23Å; D269-S273 WeakPolarHBondContact O-CB 3.41Å; D269-S273 PolarHBondContact O-N 3.5Å; D269-S273 PolarHBondContact O-OG 3.07Å |
| 270 | S | 50.6 | Low | 46.8 | Very low | 46 Ų | 46 | 103.4 Ų | 103.4 | 32% | 0.322 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.3 | -37.5 | 173.4 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | A266 Y267 I268 I272 H274 | A266-S270 WeakPolarHBondContact O-CB 3.43Å; A266-S270 PolarHBondContact O-N 3.17Å; Y267-S270 PolarHBondContact O-N 2.91Å; Y267-S270 VanDerWaalsContact O-N 3.17Å; Y267-S270 PolarHBondContact O-OG 2.79Å; I268-S270 VanDerWaalsContact C-N 3.28Å; I268-S270 PolarHBondContact O-N 3.23Å; S270-I272 VanDerWaalsContact C-N 3.31Å; S270-H274 WeakPolarHBondContact O-CB 3.34Å; S270-H274 PolarHBondContact O-CD2 3.01Å; S270-H274 PolarHBondContact O-N 3.08Å |
| 271 | I | 50.6 | Low | 47.1 | Very low | 98 Ų | 98 | 107.7 Ų | 107.7 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.3 | -35.9 | 173.5 | -64.8 | 158.8 | 0 | 0 | 0 | 110.8 | Y267 I268 | Y267-I271 HydrophobicContact CD1-CD1 3.92Å; Y267-I271 HydrophobicContact CD2-CD1 4.48Å; Y267-I271 HydrophobicContact CE1-CD1 3.48Å; Y267-I271 VanDerWaalsContact CE1-CD1 3.48Å; Y267-I271 HydrophobicContact CE1-CG1 4.47Å; Y267-I271 HydrophobicContact CE2-CD1 4.08Å; Y267-I271 HydrophobicContact CE2-CG1 4.21Å; Y267-I271 HydrophobicContact CG-CD1 4.4Å; Y267-I271 WeakPolarHBondContact O-CG1 3.39Å; Y267-I271 PolarHBondContact O-N 2.87Å; I268-I271 PolarHBondContact O-N 3.09Å |
| 272 | I | 53.6 | Low | 46.8 | Very low | 113 Ų | 113 | 104.6 Ų | 104.6 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -81.8 | -29.4 | -178 | -67.1 | 169.3 | 0 | 0 | 0 | 112 | I268 D269 S270 | I268-I272 HydrophobicContact CG2-CD1 3.72Å; I268-I272 WeakPolarHBondContact O-CG1 3.36Å; I268-I272 PolarHBondContact O-N 3.19Å; D269-I272 PolarHBondContact O-N 2.84Å; S270-I272 VanDerWaalsContact C-N 3.31Å |
| 273 | S | 47.9 | Very low | 46.3 | Very low | 91 Ų | 91 | 100.1 Ų | 100.1 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -92.7 | -18.6 | -178.5 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | D269 Q275 | D269-S273 VanDerWaalsContact O-CB 3.23Å; D269-S273 WeakPolarHBondContact O-CB 3.41Å; D269-S273 PolarHBondContact O-N 3.5Å; D269-S273 PolarHBondContact O-OG 3.07Å; S273-Q275 PolarHBondContact O-N 2.65Å |
| 274 | H | 39.4 | Very low | 45.5 | Very low | 135 Ų | 135 | 101.6 Ų | 101.6 | 63% | 0.625 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -87.5 | 102.2 | 172.5 | -86.4 | -86.2 | 0 | 0 | 0 | 112.6 | S270 | S270-H274 WeakPolarHBondContact O-CB 3.34Å; S270-H274 PolarHBondContact O-CD2 3.01Å; S270-H274 PolarHBondContact O-N 3.08Å |
| 275 | Q | 37 | Very low | 44.8 | Very low | 166 Ų | 166 | 101.5 Ų | 101.5 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 66.7 | 85.6 | 158.4 | -57 | 171.8 | 2.9 | 0 | 0 | 115.7 | S273 | S273-Q275 PolarHBondContact O-N 2.65Š|
| 276 | D | 42.3 | Very low | 44 | Very low | 112 Ų | 112 | 105 Ų | 105 | 60% | 0.599 | 60% | 0.597 | S | S | * | * | S | Bend | 170.5 | -15.8 | 122.5 | -87.5 | -12.2 | 0 | 0 | 0 | 113.1 | E278 G279 L280 | D276-E278 PolarHBondContact O-N 3.39Å; D276-G279 WeakPolarHBondContact O-CA 3.23Å; D276-G279 PolarHBondContact O-N 3.19Å; D276-L280 HydrophobicContact CB-CD1 4Å; D276-L280 HydrophobicContact CB-CG 4.28Å; D276-L280 WeakPolarHBondContact O-CG 3.39Å; D276-L280 PolarHBondContact O-N 3Å | |
| 277 | L | 41.8 | Very low | 43.2 | Very low | 123 Ų | 123 | 106.3 Ų | 106.3 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.3 | -40.5 | -166.9 | -155 | 73.3 | 0 | 0 | 0 | 114.9 | L281 | L277-L281 WeakPolarHBondContact O-CG 3.37Å |
| 278 | E | 42.6 | Very low | 42.8 | Very low | 174 Ų | 174 | 109.2 Ų | 109.2 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -84.7 | -13 | 175.2 | -62 | -151 | 144 | 0 | 0 | 113.8 | D276 | D276-E278 PolarHBondContact O-N 3.39Å |
| 279 | G | 41.2 | Very low | 41.9 | Very low | 55 Ų | 55 | 113.2 Ų | 113.2 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.2 | -37.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D276 L281 A282 | D276-G279 WeakPolarHBondContact O-CA 3.23Å; D276-G279 PolarHBondContact O-N 3.19Å; G279-L281 VanDerWaalsContact C-N 3.33Å; G279-A282 PolarHBondContact O-N 3.38Å |
| 280 | L | 38.9 | Very low | 41 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77 | -16 | 179.8 | -66.5 | 172.6 | 0 | 0 | 0 | 113.9 | D276 | D276-L280 HydrophobicContact CB-CD1 4Å; D276-L280 HydrophobicContact CB-CG 4.28Å; D276-L280 WeakPolarHBondContact O-CG 3.39Å; D276-L280 PolarHBondContact O-N 3Å |
| 281 | L | 40.2 | Very low | 40.3 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -0.8 | 174.8 | -68 | 172.2 | 0 | 0 | 0 | 113.5 | L277 G279 | L277-L281 WeakPolarHBondContact O-CG 3.37Å; G279-L281 VanDerWaalsContact C-N 3.33Å |
| 282 | A | 42.3 | Very low | 39.4 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | trans | -110.4 | 8.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G279 P284 | G279-A282 PolarHBondContact O-N 3.38Å; A282-P284 VanDerWaalsContact O-CD 3.31Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å | ||
| 283 | S | 35.7 | Very low | 38.6 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 56% | 0.559 | 70% | 0.704 | S | S | * | * | trans | -96.7 | 108.9 | -175.6 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | S285 | S283-S285 PolarHBondContact O-N 3.4Š| ||
| 284 | P | 38.3 | Very low | 38 | Very low | 128 Ų | 128 | 125 Ų | 125 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | trans | -79.3 | 88.2 | 176.9 | 32.6 | -34.5 | 0 | 0 | 0 | 111 | A282 | A282-P284 VanDerWaalsContact O-CD 3.31Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å | ||
| 285 | S | 36.5 | Very low | 37.9 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -146 | 17.4 | 176 | 65.2 | 0 | 0 | 0 | 0 | 115.4 | S283 | S283-S285 PolarHBondContact O-N 3.4Š| ||
| 286 | L | 35.8 | Very low | 37.8 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -130.2 | 4 | 178.3 | -135.7 | 147.7 | 0 | 0 | 0 | 113.2 | ||
| 287 | A | 38.3 | Very low | 37.5 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -77.3 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M289 | A287-M289 VanDerWaalsContact C-N 3.3Å; A287-M289 PolarHBondContact O-N 3.04Å |
| 288 | D | 37.4 | Very low | 37.1 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 8.6 | -168.2 | -52.2 | -37.1 | 0 | 0 | 0 | 114.5 | ||
| 289 | M | 35.5 | Very low | 36.9 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 9.5 | -174.3 | -89.5 | 179.6 | 57.3 | 0 | 0 | 114.9 | A287 | A287-M289 VanDerWaalsContact C-N 3.3Å; A287-M289 PolarHBondContact O-N 3.04Å |
| 290 | V | 35.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -115.8 | 4.9 | 177.5 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 291 | E | 35.8 | Very low | 36.7 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -102.6 | -0.7 | -172.8 | -146.3 | -177.8 | -176 | 0 | 0 | 115.3 | ||
| 292 | Q | 32.1 | Very low | 36.7 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | -128.7 | 54.5 | -172.2 | -61.7 | -167.9 | 21.6 | 0 | 0 | 114.9 | ||||
| 293 | A | 36 | Very low | 36.5 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | trans | -152.8 | 73.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 294 | T | 36.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | 53.3 | 124.2 | 94 | 68.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 295 | V | 37 | Very low | 36.6 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | cis | -165.6 | 151.7 | -3 | 92.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 296 | N | 34.6 | Very low | 36.5 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 69.4 | 126.5 | 157.6 | -70.7 | -3 | 0 | 0 | 0 | 124.2 | ||||
| 297 | V | 35 | Very low | 36.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | 71.3 | 131.4 | 129.8 | 175.7 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 298 | E | 34.2 | Very low | 36.5 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | cis | -152.5 | 152.8 | -2.3 | -143.4 | -168.8 | 128.4 | 0 | 0 | 110.2 | H300 | E298-H300 IonicContact OE1-CE1 3.7Å; E298-H300 PolarHBondContact OE1-CE1 2.93Å; E298-H300 IonicContact OE1-ND1 3.18Å | ||
| 299 | P | 38 | Very low | 36.5 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -108.5 | 155.4 | 171.4 | 37.9 | -31.4 | 0 | 0 | 0 | 114.1 | ||||
| 300 | H | 36 | Very low | 36.5 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | -138 | 150.8 | 166.9 | -93.1 | 47.1 | 0 | 0 | 0 | 111.9 | E298 | E298-H300 IonicContact OE1-CE1 3.7Å; E298-H300 PolarHBondContact OE1-CE1 2.93Å; E298-H300 IonicContact OE1-ND1 3.18Å | ||
| 301 | P | 41.1 | Very low | 36.6 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -120.2 | -157.4 | -163.9 | 43.5 | -29.6 | 0 | 0 | 0 | 114.3 | ||||
| 302 | I | 39 | Very low | 36.7 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 112 | 131 | 175.6 | -66.1 | 162.8 | 0 | 0 | 0 | 111.9 | ||||
| 303 | N | 37.4 | Very low | 36.9 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | cis | -155.4 | 167.5 | -11.9 | -116.1 | -7 | 0 | 0 | 0 | 111 | ||||
| 304 | V | 36.6 | Very low | 37.1 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -109.7 | 168.2 | 169.5 | -116.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 305 | P | 39.9 | Very low | 37 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | -134.3 | 159.2 | 117.8 | 38.2 | -30.1 | 0 | 0 | 0 | 114.3 | |||||
| 306 | V | 34.5 | Very low | 37 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -126.9 | 152.7 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 307 | L | 40.9 | Very low | 37.1 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -114.9 | 150.4 | 163.8 | -133.5 | 81.1 | 0 | 0 | 0 | 109.9 | ||||
| 308 | D | 34.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -144.9 | 178.4 | -152.7 | -175 | 23.7 | 0 | 0 | 0 | 111.9 | ||||
| 309 | N | 36 | Very low | 37.3 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | 81 | 144.2 | 167.6 | -72.2 | -77.1 | 0 | 0 | 0 | 118.4 | ||||
| 310 | S | 36.7 | Very low | 37.2 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -160.5 | 150.9 | -12.5 | -162.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 311 | S | 36.7 | Very low | 37 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 22.1 | 130.9 | 145.2 | -43.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 312 | N | 39.4 | Very low | 36.8 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | -157.2 | 157.7 | 121.5 | -112.2 | -43.7 | 0 | 0 | 0 | 112.2 | |||||
| 313 | S | 35.5 | Very low | 36.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -138.9 | 147.7 | -173.8 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 314 | N | 39.8 | Very low | 36.3 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 174 | 162.2 | 154.7 | -92.8 | -43.8 | 0 | 0 | 0 | 109.7 | ||||
| 315 | R | 34.9 | Very low | 36.1 | Very low | 210 Ų | 210 | 136 Ų | 136 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -171.1 | 151.9 | -57.7 | -147.2 | -177.4 | -178 | -163.8 | 0.2 | 106.7 | |||||
| 316 | L | 37.2 | Very low | 36 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 71.3 | 143.3 | 167.7 | -54.3 | 169.4 | 0 | 0 | 0 | 116.1 | ||||
| 317 | A | 37 | Very low | 36.1 | Very low | 80 Ų | 80 | 139 Ų | 139 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | cis | -159.9 | 160 | -12.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 318 | E | 36.5 | Very low | 36 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 13.8 | 153.4 | 133.9 | -59.1 | -171.7 | -162.9 | 0 | 0 | 120.9 | ||||
| 319 | N | 36 | Very low | 35.8 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -174.9 | 164.4 | -5.4 | -101.7 | -31.8 | 0 | 0 | 0 | 107.5 | ||||
| 320 | S | 36 | Very low | 35.8 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | cis | -173.1 | 172 | -18.7 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 321 | R | 32.2 | Very low | 35.4 | Very low | 240 Ų | 240 | 141 Ų | 141 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | 74.4 | 101.2 | 144.5 | -163.6 | -177.1 | -164.1 | 163.2 | 5.5 | 122.9 | ||||
| 322 | G | 35.7 | Very low | 35.6 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 83.7 | 173.4 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 323 | K | 33.5 | Very low | 35.4 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | cis | -167 | 141.9 | -17.7 | 171.3 | 171.2 | 177.1 | 177 | 0 | 110.6 | ||||
| 324 | V | 33.8 | Very low | 35.2 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | 64.5 | 106.4 | 164.4 | 167.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 325 | G | 31 | Very low | 35.2 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | 70.8 | 127.5 | 97.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 326 | S | 39.5 | Very low | 35.1 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -161.4 | 152.8 | 146.8 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 327 | E | 34.8 | Very low | 35.2 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -87.6 | 162.2 | 177.3 | -57.1 | 167.4 | 125 | 0 | 0 | 111 | ||||
| 328 | T | 39.2 | Very low | 35.1 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 106.9 | 157.9 | -66 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 329 | L | 30 | Very low | 35.2 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -85.7 | 136 | 167.1 | 176.4 | 154.5 | 0 | 0 | 0 | 109 | L331 | L329-L331 HydrophobicContact CD2-CB 4.3Š| ||
| 330 | L | 36.2 | Very low | 35 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | -137.6 | 139.4 | 165.7 | -110 | 174.8 | 0 | 0 | 0 | 111.5 | ||||
| 331 | L | 28.5 | Very low | 35 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | -139 | 124.9 | -168.2 | 176 | 155.7 | 0 | 0 | 0 | 108.1 | L329 | L329-L331 HydrophobicContact CD2-CB 4.3Š| ||
| 332 | I | 40.1 | Very low | 35.1 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -130.7 | 143.6 | 179.7 | -60.9 | -175.9 | 0 | 0 | 0 | 109.7 | ||||
| 333 | K | 36.5 | Very low | 34.7 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -86 | 157.6 | -172.7 | -59.4 | 167.3 | -179.8 | 173.7 | 0 | 111.6 | ||||
| 334 | G | 30.7 | Very low | 34.7 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -99.3 | -179 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 335 | T | 39.5 | Very low | 34.7 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -157.5 | 118.8 | 168.9 | 36.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 336 | D | 34 | Very low | 34.8 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | 37.5 | 133.9 | 126.7 | -45.8 | -17.8 | 0 | 0 | 0 | 123.1 | |||||
| 337 | G | 38.6 | Very low | 34.6 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 131.2 | 155.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 338 | T | 35.8 | Very low | 34.3 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | cis | -179.2 | 136.5 | -43.5 | -95.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 339 | G | 36.8 | Very low | 34.1 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 113.5 | 128.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 340 | A | 32.9 | Very low | 34 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | cis | 108.3 | 143.9 | 9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 341 | A | 35.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 67.7 | 151 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 342 | A | 34.3 | Very low | 34 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | cis | -146.9 | 169.1 | -6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 343 | C | 27.4 | Very low | 33.7 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -91.7 | 157 | 171.3 | -60.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 344 | S | 34.1 | Very low | 33.5 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -148.5 | 168 | 150 | -161.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 345 | S | 33.5 | Very low | 33.7 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -148.7 | 159.7 | -159.1 | -176.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 346 | S | 32.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 69.1 | 120.1 | 156.1 | -58.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 347 | A | 34.5 | Very low | 33.4 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | -155.6 | 122.6 | 134.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 348 | T | 29.4 | Very low | 33.5 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -105.2 | 148 | 170.5 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 349 | K | 35.8 | Very low | 33.5 | Very low | 211 Ų | 211 | 128.4 Ų | 128.4 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -146.2 | 153.2 | 160.3 | -152.7 | 173 | -178.3 | -176.1 | 0 | 111.4 | ||||
| 350 | I | 27.5 | Very low | 33.3 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -127 | 135.1 | -167.5 | -61.8 | 163.3 | 0 | 0 | 0 | 109.2 | ||||
| 351 | L | 33.5 | Very low | 33.3 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -171.6 | 133.4 | 142.7 | -121.9 | 58.8 | 0 | 0 | 0 | 105.6 | ||||
| 352 | Q | 31.5 | Very low | 33.3 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | 57 | 133.4 | 64.9 | -98.5 | -179 | -63.7 | 0 | 0 | 112.2 | |||||
| 353 | D | 33.6 | Very low | 33.4 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 58% | 0.583 | 78% | 0.778 | S | S | * | * | cis | -163.4 | 168.1 | 28.7 | -154.8 | 26.2 | 0 | 0 | 0 | 112.2 | ||||
| 354 | N | 32.9 | Very low | 33.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | trans | 62.8 | 157.8 | 161.2 | -54.6 | -47.7 | 0 | 0 | 0 | 120.5 | ||||
| 355 | T | 33.7 | Very low | 33.8 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | cis | -163.9 | 174.1 | -41.4 | 36.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 356 | D | 36.1 | Very low | 33.9 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 89.5 | 102.7 | 152.4 | -52.2 | -50.2 | 0 | 0 | 0 | 120.2 | ||||
| 357 | D | 30.8 | Very low | 33.8 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -66.8 | 155.7 | 155.5 | -70.9 | -69 | 0 | 0 | 0 | 111.2 | ||||
| 358 | H | 40.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -166.7 | 109.6 | 136.5 | -108.4 | -64.7 | 0 | 0 | 0 | 116 | ||||
| 359 | T | 36 | Very low | 33.8 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 46.6 | 129.4 | 140.1 | 38.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 360 | G | 32.9 | Very low | 33.5 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 134.9 | 92.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 361 | A | 32.9 | Very low | 33.8 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | cis | 93.3 | 146.6 | 36.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 362 | Q | 36.4 | Very low | 33.7 | Very low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 75.4 | 106.7 | -175.6 | -57.2 | -171.8 | 6.3 | 0 | 0 | 114 | ||||
| 363 | S | 35.1 | Very low | 33.6 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | 95.8 | 134.3 | 61.4 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 364 | N | 36.1 | Very low | 33.5 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | -171.4 | 153.7 | 58.9 | -101.3 | -46.4 | 0 | 0 | 0 | 112.6 | |||||
| 365 | L | 35.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 57.4 | 149.9 | 145.1 | -59.3 | 168.4 | 0 | 0 | 0 | 118.4 | ||||
| 366 | A | 34.4 | Very low | 33.5 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | cis | -163.7 | 170.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 367 | S | 30.5 | Very low | 33.2 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | cis | 172.9 | 160.5 | -15.4 | -83.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 368 | S | 33.6 | Very low | 33.2 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 64.9 | 127.3 | -173.7 | 74.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 369 | A | 30.2 | Very low | 32.7 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | cis | 81.6 | 88.4 | 9.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 370 | S | 30.6 | Very low | 32.5 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -132.8 | 132.4 | 142.3 | 62.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 371 | A | 33.1 | Very low | 32.5 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -128.2 | 111.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 372 | Q | 32.1 | Very low | 32.5 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -110.8 | 122.2 | 173.9 | -74.4 | -173.7 | -19.6 | 0 | 0 | 109 | ||||
| 373 | V | 28.5 | Very low | 32.3 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -96.7 | 99.9 | 170.4 | 175.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 374 | S | 32.2 | Very low | 32.3 | Very low | 93 Ų | 93 | 150.3 Ų | 150.3 | 65% | 0.65 | 82% | 0.822 | S | S | * | * | trans | -96.7 | 102.8 | 175.1 | 45.7 | 0 | 0 | 0 | 0 | 110.3 | F376 | S374-F376 PolarHBondContact O-N 2.93Š| ||
| 375 | H | 32.8 | Very low | 32.3 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -68.3 | 112 | 161.9 | -94.4 | -105 | 0 | 0 | 0 | 108.8 | ||||
| 376 | F | 32.9 | Very low | 32.2 | Very low | 184 Ų | 184 | 150.3 Ų | 150.3 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -125.2 | 109.9 | 160 | -84.8 | -77.7 | 0 | 0 | 0 | 109.5 | S374 | S374-F376 PolarHBondContact O-N 2.93Š| ||
| 377 | Y | 31 | Very low | 32.5 | Very low | 211 Ų | 211 | 152.8 Ų | 152.8 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | trans | -147.5 | 135.1 | 172.9 | -146.6 | -84.1 | 0 | 0 | 0 | 106.2 | ||||
| 378 | N | 31.3 | Very low | 32.9 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | 60.2 | 111 | -173.8 | -60.9 | -9.9 | 0 | 0 | 0 | 116.7 | ||||
| 379 | Q | 28.8 | Very low | 32.9 | Very low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -146.4 | 66 | 147.2 | -164.5 | 172.2 | -4.5 | 0 | 0 | 110.8 | ||||
| 380 | Y | 32.4 | Very low | 33.4 | Very low | 241 Ų | 241 | 159.9 Ų | 159.9 | 95% | 0.945 | 83% | 0.834 | S | S | * | * | trans | -139.8 | 46.7 | 171.3 | -86.8 | -64 | 0 | 0 | 0 | 111.5 | ||||
| 381 | E | 32.7 | Very low | 33.5 | Very low | 185 Ų | 185 | 162.2 Ų | 162.2 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -154.8 | 88.7 | 171.2 | -165.3 | 170.9 | -134.2 | 0 | 0 | 111.6 | ||||
| 382 | L | 31.9 | Very low | 34.4 | Very low | 171 Ų | 171 | 162.6 Ų | 162.6 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -165.8 | 102 | 158 | -89 | -163.9 | 0 | 0 | 0 | 109.7 | ||||
| 383 | Q | 32 | Very low | 35 | Very low | 203 Ų | 203 | 159.7 Ų | 159.7 | 95% | 0.949 | 82% | 0.822 | S | S | * | * | trans | 169.1 | 86 | 142.4 | -95.6 | 176.1 | 20 | 0 | 0 | 111.8 | ||||
| 384 | S | 35.2 | Very low | 35.4 | Very low | 133 Ų | 133 | 160.7 Ų | 160.7 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -159.8 | 157.1 | 142.8 | -165.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 385 | A | 36.6 | Very low | 35.8 | Very low | 84 Ų | 84 | 162.1 Ų | 162.1 | 69% | 0.694 | 83% | 0.833 | S | S | * | * | trans | -120 | 145.1 | -154.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 386 | F | 33.9 | Very low | 36.1 | Very low | 204 Ų | 204 | 157 Ų | 157 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | 34 | 105.5 | 142 | -113.2 | -93 | 0 | 0 | 0 | 119.3 | ||||
| 387 | V | 41.3 | Very low | 36.3 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -139.6 | 128.4 | 151.8 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 388 | P | 38.6 | Very low | 36.6 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | trans | -95.6 | 137.6 | -175.8 | 35 | -33.5 | 0 | 0 | 0 | 115.1 | ||||
| 389 | E | 33.3 | Very low | 36.8 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | 32.3 | 121.4 | 135.5 | -165.7 | -179.6 | 150.8 | 0 | 0 | 121.4 | ||||
| 390 | M | 39.7 | Very low | 37.1 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -157.6 | 126.6 | 135.8 | -155 | 165.9 | -70.1 | 0 | 0 | 112.5 | ||||
| 391 | E | 32.7 | Very low | 37.4 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -110.2 | 149.5 | 174.3 | -93.2 | -112.3 | 138.3 | 0 | 0 | 111.8 | ||||
| 392 | P | 51.8 | Low | 37.5 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -122.4 | 151.7 | 157.1 | 36.1 | -24.8 | 0 | 0 | 0 | 113.8 | ||||
| 393 | P | 46.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -106 | 175.5 | -146.5 | 40.6 | -39 | 0 | 0 | 0 | 118.6 | ||||
| 394 | N | 35 | Very low | 38.4 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -57.1 | 136.2 | -176.3 | -61.4 | -77.7 | 0 | 0 | 0 | 118.6 | ||||
| 395 | S | 42.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -160.8 | 141.6 | 133.6 | -37.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 396 | G | 37.8 | Very low | 38.9 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | 83.8 | 125.6 | 50 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 397 | T | 39 | Very low | 38.8 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | cis | -167.8 | 140.4 | 7.1 | -71.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 398 | L | 37.2 | Very low | 38.7 | Very low | 157 Ų | 157 | 128 Ų | 128 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 63.5 | 140.3 | 159.3 | -72.6 | 169.6 | 0 | 0 | 0 | 124.3 | ||||
| 399 | C | 34.9 | Very low | 38.6 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | trans | 77.8 | 104 | 139.8 | -75.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 400 | S | 35.7 | Very low | 38.7 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | 81.6 | 102.3 | 115.2 | -56.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 401 | A | 36.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | 86 | 150.6 | 125.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 402 | A | 36.6 | Very low | 38.6 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 84.1 | 85.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 403 | S | 38.3 | Very low | 37.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 76.6 | 155.1 | 134.4 | 70 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 404 | P | 44.4 | Very low | 37.2 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -126.4 | 163.8 | -171.3 | 43.3 | -29.6 | 0 | 0 | 0 | 116.9 | ||||
| 405 | T | 39.3 | Very low | 37.3 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -171.5 | 162.5 | 149.2 | 12 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 406 | P | 42 | Very low | 36.9 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | trans | -129 | 169 | -156.8 | 43.4 | -31.4 | 0 | 0 | 0 | 120 | ||||
| 407 | H | 31.9 | Very low | 36.8 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 68.7 | 169.6 | 155.3 | -82.9 | -29.8 | 0 | 0 | 0 | 119.9 | ||||
| 408 | P | 39.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -134.5 | 170.2 | -2.9 | 29 | -5.9 | 0 | 0 | 0 | 118.6 | ||||
| 409 | Q | 35.9 | Very low | 36.6 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 30.8 | 150.3 | 144.1 | -57 | -179.6 | -4.5 | 0 | 0 | 123.2 | ||||
| 410 | H | 35.7 | Very low | 36.8 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | 175.8 | -176.7 | 63.4 | -158.1 | -97.1 | 0 | 0 | 0 | 113.5 | |||||
| 411 | L | 34.5 | Very low | 36.8 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | 84.5 | 149.4 | 168 | -50 | 175.4 | 0 | 0 | 0 | 118.2 | ||||
| 412 | F | 35.4 | Very low | 36.8 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | cis | -150 | -176.5 | -4.1 | -126.8 | -45.9 | 0 | 0 | 0 | 111.7 | ||||
| 413 | N | 32.2 | Very low | 36.8 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -153.1 | 166.4 | -160 | -142.3 | 8.3 | 0 | 0 | 0 | 115.7 | ||||
| 414 | G | 37.6 | Very low | 36.8 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | 149.4 | 169 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 415 | V | 36.2 | Very low | 36.5 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 92% | 0.915 | 78% | 0.776 | S | S | * | * | cis | -148.9 | 175.6 | -3.9 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 416 | V | 33.8 | Very low | 36.2 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -143.5 | 138.9 | -159.3 | 162.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 417 | A | 35.8 | Very low | 36 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -175.3 | 136.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 418 | S | 35.4 | Very low | 36.2 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | cis | 91.2 | 148.7 | 31 | 82.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 419 | D | 37 | Very low | 36 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -165.2 | -173.4 | 12.3 | -145.9 | -57.2 | 0 | 0 | 0 | 112.6 | ||||
| 420 | V | 38 | Very low | 36.1 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | trans | 75.5 | 137.7 | 154.3 | 164.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 421 | F | 36 | Very low | 36.2 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 75% | 0.746 | 78% | 0.778 | S | S | * | * | cis | -157.5 | 148.2 | 4.1 | -138.7 | -143.7 | 0 | 0 | 0 | 115.8 | ||||
| 422 | N | 36.3 | Very low | 36 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 33.4 | 143.7 | 146.1 | -66.4 | -14.9 | 0 | 0 | 0 | 126.2 | ||||
| 423 | G | 36.8 | Very low | 36.2 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -158.3 | -21.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 424 | I | 39.5 | Very low | 36.3 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | 72.7 | 119.3 | 166.1 | -64.5 | 179.4 | 0 | 0 | 0 | 121.1 | ||||
| 425 | Q | 37.8 | Very low | 36.2 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | 60.2 | 141.4 | 151.4 | -72.9 | 172.5 | -42.4 | 0 | 0 | 123.4 | ||||
| 426 | G | 33.6 | Very low | 36.2 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -169.7 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 427 | W | 36.1 | Very low | 36.2 | Very low | 237 Ų | 237 | 138 Ų | 138 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | 69.6 | 157.2 | -177.5 | -77.7 | 73.2 | 0 | 0 | 0 | 116.5 | ||||
| 428 | P | 36.3 | Very low | 36 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -116.7 | 162.6 | -141.8 | 41.4 | -34.2 | 0 | 0 | 0 | 117.4 | ||||
| 429 | A | 36.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -144.1 | 155.3 | 156 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 430 | E | 38.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 163.3 | -171 | -79 | -71.9 | 121.6 | 0 | 0 | 114.6 | ||||
| 431 | P | 35.9 | Very low | 36.1 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -106.9 | 160.3 | -158.4 | 40.3 | -35.8 | 0 | 0 | 0 | 117.1 | ||||
| 432 | L | 30.5 | Very low | 36.2 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 59.8 | 107.8 | 143.8 | -165.6 | 72.1 | 0 | 0 | 0 | 120 | ||||
| 433 | T | 39.5 | Very low | 36 | Very low | 145 Ų | 145 | 146 Ų | 146 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -130.4 | 148.6 | 146 | 37 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 434 | D | 35.6 | Very low | 35.9 | Very low | 133 Ų | 133 | 149 Ų | 149 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -96.9 | 142 | -161.3 | -159.2 | 41.3 | 0 | 0 | 0 | 112.8 | H436 | D434-H436 PolarHBondContact O-N 3.21Å; D434-H436 VanDerWaalsContact O-N 3.13Å | ||
| 435 | P | 34.8 | Very low | 35.5 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -92.9 | 67.2 | -163.5 | 37.5 | -35.4 | 0 | 0 | 0 | 114.3 | ||||
| 436 | H | 37.1 | Very low | 35.4 | Very low | 173 Ų | 173 | 151.6 Ų | 151.6 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -125.2 | 61.1 | 174.2 | -84.4 | -66.6 | 0 | 0 | 0 | 113.8 | D434 G438 | D434-H436 PolarHBondContact O-N 3.21Å; D434-H436 VanDerWaalsContact O-N 3.13Å; H436-G438 PolarHBondContact O-N 3.46Å; H436-G438 VanDerWaalsContact O-N 3.13Å | ||
| 437 | Q | 33.6 | Very low | 35.2 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 86.3 | 174.7 | -165.3 | 158.9 | 31.3 | 0 | 0 | 111.7 | ||||
| 438 | G | 32.1 | Very low | 35 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H436 A440 | H436-G438 PolarHBondContact O-N 3.46Å; H436-G438 VanDerWaalsContact O-N 3.13Å; G438-A440 PolarHBondContact O-N 2.84Å |
| 439 | N | 31.7 | Very low | 34.6 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 120.9 | -177.6 | -93.7 | -32.5 | 0 | 0 | 0 | 113.1 | ||
| 440 | A | 36.3 | Very low | 34.6 | Very low | 82 Ų | 82 | 151.7 Ų | 151.7 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 131 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G438 R442 | G438-A440 PolarHBondContact O-N 2.84Å; A440-R442 PolarHBondContact O-N 2.87Å; A440-R442 VanDerWaalsContact O-N 3.15Å |
| 441 | P | 43.9 | Very low | 34.3 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 111.1 | -175.9 | 27 | -33.7 | 0 | 0 | 0 | 111.8 | R443 | P441-R443 PolarHBondContact O-N 2.83Š| ||
| 442 | R | 36.8 | Very low | 34.2 | Very low | 232 Ų | 232 | 157.7 Ų | 157.7 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -66.4 | 120.3 | 172.9 | -74.8 | -179.8 | 171.6 | 159.8 | -1.8 | 110.1 | A440 I444 | A440-R442 PolarHBondContact O-N 2.87Å; A440-R442 VanDerWaalsContact O-N 3.15Å; R442-I444 VanDerWaalsContact C-N 3.34Å; R442-I444 PolarHBondContact O-N 2.91Å | ||
| 443 | R | 33.1 | Very low | 34.4 | Very low | 250 Ų | 250 | 154.8 Ų | 154.8 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -74.5 | 78.2 | -177.5 | -162.2 | 176.4 | -169.8 | 178.4 | 4 | 111.7 | P441 R445 | P441-R443 PolarHBondContact O-N 2.83Å; R443-R445 PolarHBondContact O-N 2.78Å | ||
| 444 | I | 35.1 | Very low | 34.2 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -70.3 | 118.6 | 176 | -60.2 | 175.1 | 0 | 0 | 0 | 109.4 | R442 L446 | R442-I444 VanDerWaalsContact C-N 3.34Å; R442-I444 PolarHBondContact O-N 2.91Å; I444-L446 HydrophobicContact CG2-CG 4.2Å; I444-L446 PolarHBondContact O-N 2.82Å | ||
| 445 | R | 31.6 | Very low | 34.2 | Very low | 243 Ų | 243 | 152.9 Ų | 152.9 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -80.5 | 106.3 | 165.3 | -79.6 | 179.2 | 168.2 | 160.6 | -7.6 | 108.9 | R443 | R443-R445 PolarHBondContact O-N 2.78Š| ||
| 446 | L | 34 | Very low | 34.3 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -96.8 | 110.6 | 164.8 | -89.4 | 169.1 | 0 | 0 | 0 | 108.9 | I444 H448 | I444-L446 HydrophobicContact CG2-CG 4.2Å; I444-L446 PolarHBondContact O-N 2.82Å; L446-H448 PolarHBondContact O-N 2.88Å | ||
| 447 | A | 29.3 | Very low | 34.5 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -78.3 | 115.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 448 | H | 33.5 | Very low | 34.7 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | trans | -104.6 | 126 | 173.3 | -106.9 | -94 | 0 | 0 | 0 | 110.4 | L446 I450 | L446-H448 PolarHBondContact O-N 2.88Å; H448-I450 PolarHBondContact O-N 2.94Å | ||
| 449 | S | 28 | Very low | 35 | Very low | 110 Ų | 110 | 151 Ų | 151 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -67.7 | 126.7 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 450 | I | 35.6 | Very low | 35.3 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -101.1 | 98.7 | 172.5 | -59.8 | 178.1 | 0 | 0 | 0 | 107.9 | H448 R452 | H448-I450 PolarHBondContact O-N 2.94Å; I450-R452 PolarHBondContact O-N 2.82Å; I450-R452 VanDerWaalsContact O-N 3.1Å | ||
| 451 | Q | 32.2 | Very low | 35.1 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -67.5 | 105.5 | 164.3 | -72.5 | -178 | -55.5 | 0 | 0 | 108.8 | A453 | Q451-A453 PolarHBondContact O-N 3.07Š| ||
| 452 | R | 34.6 | Very low | 35.2 | Very low | 233 Ų | 233 | 150.5 Ų | 150.5 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -72.2 | 106.3 | 166.4 | -77.1 | -174.2 | 168.9 | 115.9 | -4.6 | 108.6 | I450 S454 | I450-R452 PolarHBondContact O-N 2.82Å; I450-R452 VanDerWaalsContact O-N 3.1Å; R452-S454 PolarHBondContact O-N 2.95Å | ||
| 453 | A | 33.4 | Very low | 35.1 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -67.1 | 113.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q451 V455 | Q451-A453 PolarHBondContact O-N 3.07Å; A453-V455 PolarHBondContact O-N 3.5Å | ||
| 454 | S | 35.4 | Very low | 35.8 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -73.5 | 117.1 | 170.6 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | R452 T456 | R452-S454 PolarHBondContact O-N 2.95Å; S454-T456 PolarHBondContact O-N 3.08Å | ||
| 455 | V | 35.3 | Very low | 36.1 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -74.8 | 109.2 | 169.4 | 178.8 | 0 | 0 | 0 | 0 | 108 | A453 | A453-V455 PolarHBondContact O-N 3.5Š| ||
| 456 | T | 38.2 | Very low | 36.7 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -98.8 | 112 | 174 | -52.4 | 0 | 0 | 0 | 0 | 108.9 | S454 | S454-T456 PolarHBondContact O-N 3.08Š| ||
| 457 | E | 41.5 | Very low | 37.2 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -61.1 | 127.5 | 170.7 | -79.1 | -74 | 135.5 | 0 | 0 | 110.5 | V459 | E457-V459 PolarHBondContact O-N 2.82Å; E457-V459 VanDerWaalsContact O-N 3.14Å | ||
| 458 | P | 37.7 | Very low | 38 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -81.3 | 92.4 | 177.7 | 32.1 | -32.9 | 0 | 0 | 0 | 110.8 | L460 | P458-L460 PolarHBondContact O-N 3.05Š| ||
| 459 | V | 36.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -67.9 | 112.4 | 168.3 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | E457 T461 | E457-V459 PolarHBondContact O-N 2.82Å; E457-V459 VanDerWaalsContact O-N 3.14Å; V459-T461 HydrophobicContact CG1-CG2 4.32Å; V459-T461 PolarHBondContact O-N 2.7Å | ||
| 460 | L | 39.3 | Very low | 39.3 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -92.8 | 91.2 | -177.5 | -134.4 | 159.9 | 0 | 0 | 0 | 109.4 | P458 | P458-L460 PolarHBondContact O-N 3.05Š| ||
| 461 | T | 32.4 | Very low | 39.6 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | -87.2 | 128.7 | 167.6 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | V459 | V459-T461 HydrophobicContact CG1-CG2 4.32Å; V459-T461 PolarHBondContact O-N 2.7Å | ||
| 462 | S | 45.4 | Very low | 39.9 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -124 | 104.1 | 169.5 | 60 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 463 | D | 35.2 | Very low | 39.8 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -70.8 | 135.4 | -179.2 | -49 | -79.5 | 0 | 0 | 0 | 111.1 | ||||
| 464 | V | 47.9 | Very low | 40.1 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -139.6 | 124 | 159.7 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 465 | E | 40.2 | Very low | 40.2 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -82.4 | 143.7 | -179.9 | -61 | 162.2 | 122 | 0 | 0 | 110.4 | ||||
| 466 | D | 44.9 | Very low | 40.3 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | 173.9 | 121.7 | 128.9 | -91.3 | -23.6 | 0 | 0 | 0 | 111.7 | |||||
| 467 | E | 45.3 | Very low | 40.3 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | 1.2 | 134.6 | 152.3 | -44.7 | -60.7 | 76.3 | 0 | 0 | 119.8 | ||||
| 468 | D | 44.4 | Very low | 40.2 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | -179.9 | 138.7 | 86.6 | -118.5 | -32.2 | 0 | 0 | 0 | 115.2 | |||||
| 469 | E | 46.8 | Very low | 40.2 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 49.7 | 149.6 | 162.4 | -83.7 | -83 | 104.1 | 0 | 0 | 123.4 | ||||
| 470 | P | 42.9 | Very low | 40.2 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | trans | -120.6 | 176.3 | -165.6 | 44.7 | -34.4 | 0 | 0 | 0 | 116.4 | ||||
| 471 | G | 41.2 | Very low | 40.1 | Very low | 63 Ų | 63 | 129 Ų | 129 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | 125.6 | 111.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 472 | I | 40 | Very low | 40.2 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 82% | 0.821 | 76% | 0.758 | S | S | * | * | -178.5 | 127 | 96 | -88 | 156.6 | 0 | 0 | 0 | 108.4 | |||||
| 473 | C | 32.4 | Very low | 39.8 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | -85.4 | 144.7 | 176 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 474 | Y | 39.7 | Very low | 39.7 | Very low | 234 Ų | 234 | 128.4 Ų | 128.4 | 92% | 0.918 | 75% | 0.753 | S | S | * | * | trans | -139.7 | 133.5 | 135.8 | -86.9 | -69.3 | 0 | 0 | 0 | 109.4 | ||||
| 475 | S | 36.7 | Very low | 39 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -120.8 | 161.4 | -169.7 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 476 | A | 37.9 | Very low | 38.9 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 71.2 | 161.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 477 | D | 37.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | cis | -157.7 | 148.9 | 7.5 | -138.3 | -23.9 | 0 | 0 | 0 | 111.9 | ||||
| 478 | S | 39.4 | Very low | 37.8 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 56.4 | 157.9 | 155.2 | 70.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 479 | S | 37.9 | Very low | 37.2 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | cis | -166.4 | 149.3 | -23 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 480 | S | 36.5 | Very low | 36.4 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 58.6 | 133.7 | 142.1 | 67.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 481 | A | 36.9 | Very low | 35.9 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | 86.4 | 94.2 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 482 | S | 35.6 | Very low | 35.3 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 89 | 149 | 114.1 | 73.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 483 | N | 36.1 | Very low | 34.9 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 87.8 | 91.5 | 156 | -57.5 | -24.6 | 0 | 0 | 0 | 120.1 | ||||
| 484 | T | 33.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | 68.9 | 121 | 109.4 | -53.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 485 | E | 34.7 | Very low | 34.7 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 55 | 116.7 | 155 | -68.1 | 163.1 | -155.4 | 0 | 0 | 118.4 | ||||
| 486 | D | 37.8 | Very low | 34.6 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | -156.2 | 149.8 | 127.4 | -126.4 | -13.3 | 0 | 0 | 0 | 116 | |||||
| 487 | Y | 33.1 | Very low | 34.2 | Very low | 216 Ų | 216 | 130.1 Ų | 130.1 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | 52.9 | 149.9 | 162 | -91.1 | -92.9 | 0 | 0 | 0 | 124.6 | ||||
| 488 | A | 33.9 | Very low | 34 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | trans | -126.1 | -174.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 489 | N | 30.6 | Very low | 33.6 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 82.6 | 118.2 | 163.4 | -73.9 | -21.3 | 0 | 0 | 0 | 120.5 | ||||
| 490 | V | 29.6 | Very low | 33.3 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | 61.9 | 113.9 | 125.9 | -176.9 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 491 | F | 33.5 | Very low | 33.2 | Very low | 210 Ų | 210 | 142.3 Ų | 142.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | -138.1 | 147.1 | 128.1 | -116.2 | -83.3 | 0 | 0 | 0 | 110.7 | |||||
| 492 | S | 28 | Very low | 33 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -127.8 | 144.1 | -179.6 | -72.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 493 | Q | 31.7 | Very low | 33.1 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 55.2 | 116.1 | 162.5 | -62.4 | 179.5 | 2.8 | 0 | 0 | 118.7 | ||||
| 494 | T | 33.7 | Very low | 33.1 | Very low | 136 Ų | 136 | 152.1 Ų | 152.1 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -141.1 | 140.2 | 141.1 | -28.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 495 | M | 34.6 | Very low | 33 | Very low | 172 Ų | 172 | 151 Ų | 151 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -16.7 | 124.1 | 161.2 | -49.1 | -56.7 | -98.4 | 0 | 0 | 115.1 | ||||
| 496 | A | 34.1 | Very low | 33 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | 82.5 | 97.2 | 64 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 497 | G | 29.8 | Very low | 32.7 | Very low | 81 Ų | 81 | 146 Ų | 146 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 73.9 | 109.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 498 | E | 34.3 | Very low | 32.6 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -146.4 | 154.8 | 141.1 | -165 | 154.7 | -150.5 | 0 | 0 | 111.1 | ||||
| 499 | T | 29.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -136.2 | 108.8 | -168 | 56 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 500 | M | 32.5 | Very low | 32.7 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | -148 | 116.7 | 152.6 | -84.8 | -169.5 | -125.5 | 0 | 0 | 108.4 | ||||
| 501 | R | 33.5 | Very low | 32.8 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | 79.5 | 113.1 | 71 | -84.4 | -167.9 | 173.4 | 118.1 | -0.7 | 114.1 | |||||
| 502 | I | 34.2 | Very low | 32.7 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 73% | 0.728 | 81% | 0.812 | S | S | * | * | trans | 74.8 | 133.1 | 146.5 | -58.7 | 165.8 | 0 | 0 | 0 | 113.2 | ||||
| 503 | Q | 37.2 | Very low | 32.9 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | cis | -146.2 | -175.1 | 22.8 | -147 | 159.3 | 99.7 | 0 | 0 | 112.9 | ||||
| 504 | R | 35 | Very low | 32.9 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -22.3 | 146.8 | 167.5 | -62.6 | 160 | 171.8 | 171 | -6.3 | 116.4 | ||||
| 505 | G | 32.3 | Very low | 32.8 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | cis | 150.1 | 150.1 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 506 | G | 33.4 | Very low | 32.8 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 175.8 | 141.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 507 | V | 31.7 | Very low | 33 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -119.3 | 124.6 | -172.3 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 508 | I | 32.5 | Very low | 33.1 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -134.5 | 134.5 | 149.7 | -59 | -178 | 0 | 0 | 0 | 106.4 | ||||
| 509 | S | 30.9 | Very low | 33.1 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -125.6 | 114.7 | 177.3 | -173.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 510 | T | 34.9 | Very low | 33.4 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -84.4 | 111.7 | 175.6 | 31 | 0 | 0 | 0 | 0 | 110 | ||||
| 511 | Q | 31 | Very low | 33.3 | Very low | 170 Ų | 170 | 147 Ų | 147 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -88.2 | 133.5 | 166.4 | -69.2 | -162.9 | -10.4 | 0 | 0 | 110.3 | ||||
| 512 | V | 32.4 | Very low | 33.2 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -87.3 | 109.1 | 164 | 177.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 513 | V | 31.6 | Very low | 33 | Very low | 111 Ų | 111 | 145 Ų | 145 | 67% | 0.673 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 126.2 | 177.5 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 514 | S | 31.8 | Very low | 33.1 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 118.1 | 163.1 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | T516 | S514-T516 PolarHBondContact O-N 3.02Š|
| 515 | S | 31.4 | Very low | 33 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 120.3 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 516 | T | 35.4 | Very low | 33 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -123.3 | 127.1 | 161.6 | 46.3 | 0 | 0 | 0 | 0 | 108.1 | S514 | S514-T516 PolarHBondContact O-N 3.02Š| ||
| 517 | E | 36.9 | Very low | 33.1 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -80.1 | 150 | 179.9 | -69.3 | -169.2 | 106 | 0 | 0 | 111.6 | ||||
| 518 | K | 33 | Very low | 33.2 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -96 | 135.4 | 178.1 | -64.9 | 177.3 | 177.5 | 179.3 | 0 | 110 | ||||
| 519 | L | 34.1 | Very low | 33 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -123.8 | 143.7 | 144.6 | -82.7 | 177.5 | 0 | 0 | 0 | 111 | ||||
| 520 | Q | 36.6 | Very low | 33.4 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | trans | -68 | 143.8 | -156.5 | -63.9 | 153.3 | -3.3 | 0 | 0 | 114.2 | F522 | Q520-F522 HydrophobicContact CB-CD2 4.43Å; Q520-F522 HydrophobicContact CB-CE2 4.45Å | ||
| 521 | D | 29 | Very low | 33.2 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 137 | 158.8 | -63.8 | -68.1 | 0 | 0 | 0 | 110.5 | ||||
| 522 | F | 32.5 | Very low | 33.7 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -133.9 | 97.7 | 160.4 | -94.3 | -80.6 | 0 | 0 | 0 | 109.7 | Q520 | Q520-F522 HydrophobicContact CB-CD2 4.43Å; Q520-F522 HydrophobicContact CB-CE2 4.45Å | ||
| 523 | T | 30.3 | Very low | 33.5 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 135.7 | 165.6 | -18.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 524 | F | 37.6 | Very low | 33.8 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | -134.4 | 160.7 | 164.6 | -156.7 | -97.4 | 0 | 0 | 0 | 111.1 | ||||
| 525 | D | 34.8 | Very low | 34 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -94.8 | 166.2 | -150.6 | -147.3 | -8.9 | 0 | 0 | 0 | 115.1 | ||||
| 526 | E | 32.1 | Very low | 34.4 | Very low | 191 Ų | 191 | 154.2 Ų | 154.2 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -82.4 | 135.8 | -179.1 | -174.8 | 176.1 | -148.5 | 0 | 0 | 112 | ||||
| 527 | G | 34.1 | Very low | 34.5 | Very low | 65 Ų | 65 | 152.3 Ų | 152.3 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | -176.5 | 92.5 | -179 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 528 | T | 34.5 | Very low | 34.7 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | 60.3 | 92.5 | 132.4 | -47.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 529 | L | 28.8 | Very low | 34.8 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | 48.7 | 110 | 114 | -155.2 | -177.3 | 0 | 0 | 0 | 119.2 | |||||
| 530 | L | 37.7 | Very low | 35.2 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -137 | 163.6 | 142 | -88.8 | -172.7 | 0 | 0 | 0 | 111.8 | ||||
| 531 | H | 32.5 | Very low | 35.4 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | -130.4 | 140.7 | -156.1 | 179.1 | 35.4 | 0 | 0 | 0 | 111.1 | E533 | H531-E533 IonicContact CE1-OE2 2.66Š| ||
| 532 | G | 40.4 | Very low | 36.1 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -163.4 | 98.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 533 | E | 29.2 | Very low | 36.5 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -82.2 | 152.3 | 169.2 | -65 | 177.9 | 79.2 | 0 | 0 | 111.5 | H531 | H531-E533 IonicContact CE1-OE2 2.66Š| ||
| 534 | L | 36.9 | Very low | 37.1 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -164.2 | 96.7 | 144.6 | -109.7 | 168.1 | 0 | 0 | 0 | 113.7 | ||||
| 535 | H | 37.3 | Very low | 37.3 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | 52.2 | 123 | 138.6 | -81.3 | -120.6 | 0 | 0 | 0 | 124 | ||||
| 536 | H | 39.2 | Very low | 37.6 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | 80.2 | 124.5 | 129.5 | -76.6 | 29.6 | 0 | 0 | 0 | 122 | |||||
| 537 | G | 36.4 | Very low | 38 | Very low | 83 Ų | 83 | 149.5 Ų | 149.5 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 160.7 | 121.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 538 | G | 40.9 | Very low | 38.4 | Very low | 81 Ų | 81 | 152.4 Ų | 152.4 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 99.1 | 133.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 539 | N | 35.3 | Very low | 38.6 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -130.4 | 146.8 | 172.7 | -102.5 | -96 | 0 | 0 | 0 | 109.6 | ||||
| 540 | L | 42 | Very low | 39.2 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | 175.5 | 96.5 | 150 | -98.3 | 155.4 | 0 | 0 | 0 | 109 | ||||
| 541 | R | 41.1 | Very low | 39.5 | Very low | 207 Ų | 207 | 156.1 Ų | 156.1 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | 67 | 91.2 | 74.7 | -84.5 | -166.8 | 170.1 | -175.8 | -2.3 | 118.4 | |||||
| 542 | Q | 44.2 | Very low | 39.9 | Very low | 158 Ų | 158 | 154 Ų | 154 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | 87.1 | 142.6 | 111 | -148 | -178.4 | 6.5 | 0 | 0 | 121.5 | |||||
| 543 | R | 42.2 | Very low | 39.8 | Very low | 220 Ų | 220 | 160.4 Ų | 160.4 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 78 | 150.9 | 174.5 | -60.4 | -177.8 | 164.2 | 175.1 | -6.1 | 115.1 | ||||
| 544 | R | 42.2 | Very low | 40.3 | Very low | 229 Ų | 229 | 160.4 Ų | 160.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -137.4 | 158.8 | 10.3 | 178.3 | 179.8 | -78.2 | 137.8 | -8 | 111.5 | ||||
| 545 | T | 42 | Very low | 40.6 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -109.9 | 170.6 | 179.7 | -8.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 546 | E | 39.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 69.3 | 157.1 | 163.3 | -95.4 | 66.8 | -106.5 | 0 | 0 | 120.5 | ||||
| 547 | E | 40.7 | Very low | 40.6 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 99.2 | 132.6 | -179 | -63.8 | -166.3 | 179.9 | 0 | 0 | 116.2 | ||||
| 548 | T | 43.1 | Very low | 40.8 | Very low | 126 Ų | 126 | 159 Ų | 159 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -149.6 | 159.7 | -12.5 | -87.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 549 | R | 39.6 | Very low | 40.6 | Very low | 220 Ų | 220 | 160 Ų | 160 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -113.4 | 160.1 | -175.2 | -154 | 178.9 | -166.5 | 145.3 | 1.6 | 111.1 | ||||
| 550 | Q | 40.8 | Very low | 40.8 | Very low | 159 Ų | 159 | 158.9 Ų | 158.9 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 89.7 | 112.8 | 156 | -142.3 | 86.4 | -15.7 | 0 | 0 | 119.2 | ||||
| 551 | D | 43.3 | Very low | 40.6 | Very low | 149 Ų | 149 | 159.9 Ų | 159.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -156.5 | 116.7 | 133 | -136.8 | 15.5 | 0 | 0 | 0 | 107.7 | ||||
| 552 | V | 42.2 | Very low | 40.7 | Very low | 109 Ų | 109 | 156.6 Ų | 156.6 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | 52.2 | 99.1 | 97.8 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 553 | R | 37.2 | Very low | 40.4 | Very low | 210 Ų | 210 | 155.3 Ų | 155.3 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | 73.4 | 96.6 | 51.5 | -166.7 | -131.9 | -65.2 | -135.4 | -1.3 | 114.3 | |||||
| 554 | D | 39.6 | Very low | 40.1 | Very low | 154 Ų | 154 | 156.1 Ų | 156.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | 176.8 | 164.3 | 125.3 | -88.5 | -17.7 | 0 | 0 | 0 | 112.1 | |||||
| 555 | G | 43.2 | Very low | 40 | Very low | 73 Ų | 73 | 151.8 Ų | 151.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 107 | 62.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 556 | M | 38.3 | Very low | 39.7 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | 87.1 | 87.2 | 52.4 | -166.9 | 66.4 | 172.1 | 0 | 0 | 115.1 | |||||
| 557 | Q | 39.2 | Very low | 39.8 | Very low | 144 Ų | 144 | 149 Ų | 149 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | trans | 61.1 | 140.6 | 148.6 | -58.5 | -179.6 | 11.7 | 0 | 0 | 118.8 | ||||
| 558 | H | 40.3 | Very low | 39.6 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -138.5 | 146.3 | 46.9 | -66.8 | 61.6 | 0 | 0 | 0 | 110.4 | ||||
| 559 | S | 35.5 | Very low | 39.5 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 60.3 | 129.8 | 66.9 | -140.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 560 | V | 40.6 | Very low | 39.7 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | cis | -145.8 | 151.7 | 37.7 | 168.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 561 | H | 38.1 | Very low | 39.7 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | trans | -78.4 | 138.1 | 167.1 | -88 | -88.6 | 0 | 0 | 0 | 113.1 | ||||
| 562 | V | 42 | Very low | 39.5 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -136.4 | 142.6 | 154.2 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 563 | T | 39.1 | Very low | 39.5 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -62.3 | 158.5 | -170.1 | -51.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 564 | R | 35.4 | Very low | 39.9 | Very low | 238 Ų | 238 | 144.4 Ų | 144.4 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -49.6 | 139.2 | 170 | -62 | 170.4 | 171 | 138.2 | -6.1 | 114.7 | ||||
| 565 | V | 39.1 | Very low | 40.3 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -138.2 | 141.6 | 137.1 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 566 | A | 36.4 | Very low | 40.5 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -100.1 | 132.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 567 | V | 41.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -140.5 | 112.8 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 568 | P | 37 | Very low | 41.8 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -85.3 | 111.2 | 171.4 | 31.7 | -29.4 | 0 | 0 | 0 | 110.1 | ||||
| 569 | S | 40.6 | Very low | 43 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -126.7 | 97 | 176.8 | -162.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 570 | L | 43.8 | Very low | 44.9 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | 3.7 | 123.9 | 147.9 | -72.1 | 159.7 | 0 | 0 | 0 | 119.5 | ||||
| 571 | R | 41.4 | Very low | 46.8 | Very low | 222 Ų | 222 | 130.2 Ų | 130.2 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | 67.2 | 138 | 112.9 | -148.1 | 174.9 | -170.5 | 171.1 | 2.7 | 118.6 | |||||
| 572 | R | 40.1 | Very low | 49 | Very low | 195 Ų | 195 | 124.6 Ų | 124.6 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | 78.8 | 90.9 | 175 | -54.8 | -169.5 | -105 | -163.2 | -0.2 | 117 | E575 | R572-E575 WeakPolarHBondContact CD-OE2 3.4Å; R572-E575 IonicContact NH1-OE2 2.71Å | ||
| 573 | K | 42 | Very low | 51.3 | Low | 213 Ų | 213 | 121.8 Ų | 121.8 | 93% | 0.926 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -128.1 | 11.9 | 157.9 | -144.4 | 170.8 | -173.7 | 175.5 | 0 | 114 | ||
| 574 | G | 44.5 | Very low | 53.6 | Low | 56 Ų | 56 | 124.4 Ų | 124.4 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -97.5 | -28.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A576 | G574-A576 PolarHBondContact O-N 2.88Š|
| 575 | E | 48.2 | Very low | 56.3 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 50% | 0.495 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.7 | -29.7 | -172.5 | -66.2 | 172.4 | 143.8 | 0 | 0 | 113.3 | R572 A577 Q578 I579 | R572-E575 WeakPolarHBondContact CD-OE2 3.4Å; R572-E575 IonicContact NH1-OE2 2.71Å; E575-A577 PolarHBondContact O-N 3.45Å; E575-Q578 WeakPolarHBondContact O-CB 3.48Å; E575-Q578 PolarHBondContact O-N 2.92Å; E575-I579 WeakPolarHBondContact O-CG1 3.34Å; E575-I579 PolarHBondContact O-N 3.5Å |
| 576 | A | 48.5 | Very low | 59 | Low | 81 Ų | 81 | 116.9 Ų | 116.9 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.8 | -31.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | G574 | G574-A576 PolarHBondContact O-N 2.88Å |
| 577 | A | 50.2 | Low | 61.7 | Low | 84 Ų | 84 | 117.8 Ų | 117.8 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.8 | -32.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E575 | E575-A577 PolarHBondContact O-N 3.45Å |
| 578 | Q | 54.2 | Low | 64.3 | Low | 128 Ų | 128 | 116.9 Ų | 116.9 | 60% | 0.598 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.3 | -45.5 | 175.1 | -90.3 | -75.9 | -20.5 | 0 | 0 | 111.8 | E575 G580 S581 V582 | E575-Q578 WeakPolarHBondContact O-CB 3.48Å; E575-Q578 PolarHBondContact O-N 2.92Å; Q578-G580 VanDerWaalsContact C-N 3.29Å; Q578-G580 PolarHBondContact O-N 3.18Å; Q578-S581 WeakPolarHBondContact O-CA 3.28Å; Q578-S581 VanDerWaalsContact O-CB 3.26Å; Q578-S581 WeakPolarHBondContact O-CB 3.35Å; Q578-S581 PolarHBondContact O-N 2.7Å; Q578-V582 PolarHBondContact O-N 3.22Å; Q578-V582 VanDerWaalsContact O-N 3.07Å |
| 579 | I | 64.4 | Low | 67.1 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 56% | 0.559 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.2 | -43.1 | -179.5 | -66 | 163.8 | 0 | 0 | 0 | 111.3 | E575 S581 V582 V583 | E575-I579 WeakPolarHBondContact O-CG1 3.34Å; E575-I579 PolarHBondContact O-N 3.5Å; I579-S581 PolarHBondContact O-N 3.3Å; I579-V582 PolarHBondContact O-N 3.39Å; I579-V583 HydrophobicContact CG2-CG2 4.37Å; I579-V583 WeakPolarHBondContact O-CG2 3.13Å; I579-V583 PolarHBondContact O-N 2.95Å |
| 580 | G | 76.8 | Confident | 69.8 | Low | 37 Ų | 37 | 114.8 Ų | 114.8 | 38% | 0.381 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.9 | -23.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q578 R584 | Q578-G580 VanDerWaalsContact C-N 3.29Å; Q578-G580 PolarHBondContact O-N 3.18Å; G580-R584 WeakPolarHBondContact O-CD 3.21Å; G580-R584 VanDerWaalsContact O-CG 3.27Å; G580-R584 WeakPolarHBondContact O-CG 3.09Å |
| 581 | S | 79.2 | Confident | 72.3 | Confident | 73 Ų | 73 | 112.8 Ų | 112.8 | 51% | 0.51 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -78.1 | -46.9 | 172.9 | -162.5 | 0 | 0 | 0 | 0 | 111.4 | Q578 I579 V583 R584 L585 | Q578-S581 WeakPolarHBondContact O-CA 3.28Å; Q578-S581 VanDerWaalsContact O-CB 3.26Å; Q578-S581 WeakPolarHBondContact O-CB 3.35Å; Q578-S581 PolarHBondContact O-N 2.7Å; I579-S581 PolarHBondContact O-N 3.3Å; S581-V583 PolarHBondContact O-N 3.5Å; S581-R584 PolarHBondContact O-N 3.32Å; S581-L585 PolarHBondContact O-N 3.24Å |
| 582 | V | 85.1 | Confident | 74.9 | Confident | 74 Ų | 74 | 106.6 Ų | 106.6 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -44.1 | 178.9 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | Q578 I579 R584 L585 L586 | Q578-V582 PolarHBondContact O-N 3.22Å; Q578-V582 VanDerWaalsContact O-N 3.07Å; I579-V582 PolarHBondContact O-N 3.39Å; V582-R584 VanDerWaalsContact C-N 3.32Å; V582-R584 PolarHBondContact O-N 3.36Å; V582-L585 PolarHBondContact O-N 3.5Å; V582-L586 HydrophobicContact CG1-CD1 4.08Å; V582-L586 HydrophobicContact CG1-CG 4.46Å; V582-L586 WeakPolarHBondContact O-CG 3.46Å; V582-L586 PolarHBondContact O-N 3.49Å |
| 583 | V | 89.8 | Confident | 77.6 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 49% | 0.485 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.9 | -38.6 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | I579 S581 L587 | I579-V583 HydrophobicContact CG2-CG2 4.37Å; I579-V583 WeakPolarHBondContact O-CG2 3.13Å; I579-V583 PolarHBondContact O-N 2.95Å; S581-V583 PolarHBondContact O-N 3.5Å; V583-L587 WeakPolarHBondContact O-CB 3.5Å; V583-L587 PolarHBondContact O-N 2.92Å |
| 584 | R | 88.2 | Confident | 80.2 | Confident | 185 Ų | 185 | 94.5 Ų | 94.5 | 70% | 0.698 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 174.3 | -76.5 | 173.1 | 178.2 | 171 | 0.8 | 112.3 | G580 S581 V582 L587 L588 | G580-R584 WeakPolarHBondContact O-CD 3.21Å; G580-R584 VanDerWaalsContact O-CG 3.27Å; G580-R584 WeakPolarHBondContact O-CG 3.09Å; S581-R584 PolarHBondContact O-N 3.32Å; V582-R584 VanDerWaalsContact C-N 3.32Å; V582-R584 PolarHBondContact O-N 3.36Å; R584-L587 PolarHBondContact O-N 2.98Å; R584-L588 WeakPolarHBondContact O-CG 3.11Å; R584-L588 PolarHBondContact O-N 3.43Å |
| 585 | L | 91.9 | Very high | 82.6 | Confident | 112 Ų | 112 | 95.8 Ų | 95.8 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 176.9 | -174.2 | 65.1 | 0 | 0 | 0 | 111.2 | S581 V582 L587 L588 V589 | S581-L585 PolarHBondContact O-N 3.24Å; V582-L585 PolarHBondContact O-N 3.5Å; L585-L587 VanDerWaalsContact C-N 3.35Å; L585-L587 PolarHBondContact O-N 3.39Å; L585-L588 PolarHBondContact O-N 2.98Å; L585-V589 WeakPolarHBondContact O-CG2 3.39Å; L585-V589 PolarHBondContact O-N 3.28Å |
| 586 | L | 94.4 | Very high | 84.8 | Confident | 106 Ų | 106 | 97.9 Ų | 97.9 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 175.3 | -70.6 | 170 | 0 | 0 | 0 | 112.1 | V582 V589 L590 | V582-L586 HydrophobicContact CG1-CD1 4.08Å; V582-L586 HydrophobicContact CG1-CG 4.46Å; V582-L586 WeakPolarHBondContact O-CG 3.46Å; V582-L586 PolarHBondContact O-N 3.49Å; L586-V589 PolarHBondContact O-N 3Å; L586-L590 WeakPolarHBondContact O-CB 3.44Å; L586-L590 PolarHBondContact O-N 3.39Å |
| 587 | L | 94.7 | Very high | 87 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 174.3 | -103.9 | 161.7 | 0 | 0 | 0 | 112.9 | V583 R584 L585 L590 L591 | V583-L587 WeakPolarHBondContact O-CB 3.5Å; V583-L587 PolarHBondContact O-N 2.92Å; R584-L587 PolarHBondContact O-N 2.98Å; L585-L587 VanDerWaalsContact C-N 3.35Å; L585-L587 PolarHBondContact O-N 3.39Å; L587-L590 PolarHBondContact O-N 2.8Å; L587-L591 WeakPolarHBondContact O-CB 3.35Å; L587-L591 PolarHBondContact O-N 2.64Å |
| 588 | L | 95.4 | Very high | 89.1 | Confident | 102 Ų | 102 | 100.6 Ų | 100.6 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 176 | -72.2 | 169.9 | 0 | 0 | 0 | 112.2 | R584 L585 L591 L592 | R584-L588 WeakPolarHBondContact O-CG 3.11Å; R584-L588 PolarHBondContact O-N 3.43Å; L585-L588 PolarHBondContact O-N 2.98Å; L588-L591 PolarHBondContact O-N 2.93Å; L588-L592 WeakPolarHBondContact O-CG 3.4Å; L588-L592 PolarHBondContact O-N 2.64Å |
| 589 | V | 96.1 | Very high | 90.9 | Very high | 79 Ų | 79 | 97.8 Ų | 97.8 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | L585 L586 L591 L592 V593 | L585-V589 WeakPolarHBondContact O-CG2 3.39Å; L585-V589 PolarHBondContact O-N 3.28Å; L586-V589 PolarHBondContact O-N 3Å; V589-L591 PolarHBondContact O-N 2.97Å; V589-L592 PolarHBondContact O-N 3.21Å; V589-V593 WeakPolarHBondContact O-CG2 3.35Å; V589-V593 PolarHBondContact O-N 3.22Å |
| 590 | L | 96.5 | Very high | 92.1 | Very high | 112 Ų | 112 | 94.1 Ų | 94.1 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -45.5 | 173.6 | -100.5 | 159 | 0 | 0 | 0 | 112.2 | L586 L587 L592 V593 V594 | L586-L590 WeakPolarHBondContact O-CB 3.44Å; L586-L590 PolarHBondContact O-N 3.39Å; L587-L590 PolarHBondContact O-N 2.8Å; L590-L592 VanDerWaalsContact C-N 3.35Å; L590-L592 PolarHBondContact O-N 3.48Å; L590-V593 PolarHBondContact O-N 2.94Å; L590-V594 WeakPolarHBondContact O-CG2 3.38Å; L590-V594 PolarHBondContact O-N 3.34Å |
| 591 | L | 96.6 | Very high | 92.7 | Very high | 100 Ų | 100 | 97.4 Ų | 97.4 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 176.1 | -169.3 | 85 | 0 | 0 | 0 | 111.5 | L587 L588 V589 V594 I595 | L587-L591 WeakPolarHBondContact O-CB 3.35Å; L587-L591 PolarHBondContact O-N 2.64Å; L588-L591 PolarHBondContact O-N 2.93Å; V589-L591 PolarHBondContact O-N 2.97Å; L591-V594 PolarHBondContact O-N 3.46Å; L591-I595 HydrophobicContact CD2-CD1 4.27Å; L591-I595 HydrophobicContact CG-CD1 4.05Å; L591-I595 VanDerWaalsContact O-CG1 3.28Å; L591-I595 WeakPolarHBondContact O-CG1 3.2Å; L591-I595 PolarHBondContact O-N 3.46Å |
| 592 | L | 96.4 | Very high | 93 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 178.1 | -72.9 | 171.3 | 0 | 0 | 0 | 112 | L588 V589 L590 V594 I595 F596 | L588-L592 WeakPolarHBondContact O-CG 3.4Å; L588-L592 PolarHBondContact O-N 2.64Å; V589-L592 PolarHBondContact O-N 3.21Å; L590-L592 VanDerWaalsContact C-N 3.35Å; L590-L592 PolarHBondContact O-N 3.48Å; L592-V594 VanDerWaalsContact C-N 3.34Å; L592-V594 PolarHBondContact O-N 2.94Å; L592-I595 PolarHBondContact O-N 3.26Å; L592-F596 WeakPolarHBondContact O-CD2 3.28Å; L592-F596 PolarHBondContact O-N 2.87Å |
| 593 | V | 96.1 | Very high | 93 | Very high | 81 Ų | 81 | 107.1 Ų | 107.1 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | V589 L590 I595 F596 V597 | V589-V593 WeakPolarHBondContact O-CG2 3.35Å; V589-V593 PolarHBondContact O-N 3.22Å; L590-V593 PolarHBondContact O-N 2.94Å; V593-I595 PolarHBondContact O-N 3.32Å; V593-F596 PolarHBondContact O-N 2.92Å; V593-V597 WeakPolarHBondContact O-CG2 3.31Å; V593-V597 PolarHBondContact O-N 3.28Å |
| 594 | V | 96.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 107.2 Ų | 107.2 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 175.4 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L590 L591 L592 V597 F598 | L590-V594 WeakPolarHBondContact O-CG2 3.38Å; L590-V594 PolarHBondContact O-N 3.34Å; L591-V594 PolarHBondContact O-N 3.46Å; L592-V594 VanDerWaalsContact C-N 3.34Å; L592-V594 PolarHBondContact O-N 2.94Å; V594-V597 PolarHBondContact O-N 3.47Å; V594-F598 HydrophobicContact CG1-CD2 3.7Å; V594-F598 HydrophobicContact CG1-CE2 3.7Å; V594-F598 VanDerWaalsContact O-CD2 3.31Å; V594-F598 WeakPolarHBondContact O-CD2 3.38Å; V594-F598 PolarHBondContact O-N 3.47Å |
| 595 | I | 95.7 | Very high | 92.2 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 43% | 0.426 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.8 | -69.6 | 163.4 | 0 | 0 | 0 | 111.2 | L591 L592 V593 V597 F598 V599 | L591-I595 HydrophobicContact CD2-CD1 4.27Å; L591-I595 HydrophobicContact CG-CD1 4.05Å; L591-I595 VanDerWaalsContact O-CG1 3.28Å; L591-I595 WeakPolarHBondContact O-CG1 3.2Å; L591-I595 PolarHBondContact O-N 3.46Å; L592-I595 PolarHBondContact O-N 3.26Å; V593-I595 PolarHBondContact O-N 3.32Å; I595-V597 VanDerWaalsContact C-N 3.35Å; I595-V597 PolarHBondContact O-N 2.87Å; I595-F598 PolarHBondContact O-N 3.31Å; I595-V599 HydrophobicContact CG2-CG2 4.36Å; I595-V599 WeakPolarHBondContact O-CG2 3.35Å; I595-V599 PolarHBondContact O-N 3.37Å |
| 596 | F | 94.9 | Very high | 91.4 | Very high | 151 Ų | 151 | 98.7 Ų | 98.7 | 66% | 0.662 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 177 | -83.3 | -66.2 | 0 | 0 | 0 | 112.5 | L592 V593 V599 G600 | L592-F596 WeakPolarHBondContact O-CD2 3.28Å; L592-F596 PolarHBondContact O-N 2.87Å; V593-F596 PolarHBondContact O-N 2.92Å; F596-V599 PolarHBondContact O-N 2.85Å; F596-G600 PolarHBondContact O-N 2.99Å |
| 597 | V | 95 | Very high | 90.2 | Very high | 81 Ų | 81 | 101.6 Ų | 101.6 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 173.4 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | V593 V594 I595 V599 G600 L601 | V593-V597 WeakPolarHBondContact O-CG2 3.31Å; V593-V597 PolarHBondContact O-N 3.28Å; V594-V597 PolarHBondContact O-N 3.47Å; I595-V597 VanDerWaalsContact C-N 3.35Å; I595-V597 PolarHBondContact O-N 2.87Å; V597-V599 PolarHBondContact O-N 3.27Å; V597-G600 PolarHBondContact O-N 3.5Å; V597-L601 HydrophobicContact CG1-CD1 3.79Å; V597-L601 HydrophobicContact CG1-CG 4.28Å; V597-L601 WeakPolarHBondContact O-CB 3.29Å; V597-L601 VanDerWaalsContact O-CG 3.29Å; V597-L601 WeakPolarHBondContact O-CG 3.39Å; V597-L601 PolarHBondContact O-N 2.85Å |
| 598 | F | 93.5 | Very high | 89.1 | Confident | 141 Ų | 141 | 106.1 Ų | 106.1 | 62% | 0.618 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | 176.4 | -85.6 | -68.3 | 0 | 0 | 0 | 113.1 | V594 I595 W602 | V594-F598 HydrophobicContact CG1-CD2 3.7Å; V594-F598 HydrophobicContact CG1-CE2 3.7Å; V594-F598 VanDerWaalsContact O-CD2 3.31Å; V594-F598 WeakPolarHBondContact O-CD2 3.38Å; V594-F598 PolarHBondContact O-N 3.47Å; I595-F598 PolarHBondContact O-N 3.31Å; F598-W602 VanDerWaalsContact O-CB 3.28Å; F598-W602 WeakPolarHBondContact O-CB 3.28Å; F598-W602 PolarHBondContact O-N 3.47Å |
| 599 | V | 92.1 | Very high | 87.7 | Confident | 68 Ų | 68 | 108 Ų | 108 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -38.4 | 175.4 | 171 | 0 | 0 | 0 | 0 | 111.4 | I595 F596 V597 K603 | I595-V599 HydrophobicContact CG2-CG2 4.36Å; I595-V599 WeakPolarHBondContact O-CG2 3.35Å; I595-V599 PolarHBondContact O-N 3.37Å; F596-V599 PolarHBondContact O-N 2.85Å; V597-V599 PolarHBondContact O-N 3.27Å; V599-K603 WeakPolarHBondContact O-CG 3.46Å; V599-K603 PolarHBondContact O-N 2.88Å |
| 600 | G | 90.2 | Very high | 86 | Confident | 33 Ų | 33 | 111.8 Ų | 111.8 | 34% | 0.34 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -50.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F596 V597 W602 K603 C604 | F596-G600 PolarHBondContact O-N 2.99Å; V597-G600 PolarHBondContact O-N 3.5Å; G600-W602 VanDerWaalsContact C-N 3.34Å; G600-W602 PolarHBondContact O-N 3.2Å; G600-K603 PolarHBondContact O-N 3.39Å; G600-C604 PolarHBondContact O-N 2.97Å; G600-C604 PolarHBondContact O-SG 3.25Å; G600-C604 VanDerWaalsContact O-SG 3.39Å |
| 601 | L | 88.1 | Confident | 84 | Confident | 106 Ų | 106 | 116.8 Ų | 116.8 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.2 | -39.8 | 176.8 | -71.4 | 173 | 0 | 0 | 0 | 112.2 | V597 C604 S605 | V597-L601 HydrophobicContact CG1-CD1 3.79Å; V597-L601 HydrophobicContact CG1-CG 4.28Å; V597-L601 WeakPolarHBondContact O-CB 3.29Å; V597-L601 VanDerWaalsContact O-CG 3.29Å; V597-L601 WeakPolarHBondContact O-CG 3.39Å; V597-L601 PolarHBondContact O-N 2.85Å; L601-C604 PolarHBondContact O-N 2.86Å; L601-S605 VanDerWaalsContact O-CB 3.27Å; L601-S605 WeakPolarHBondContact O-CB 3.48Å; L601-S605 PolarHBondContact O-N 3.29Å |
| 602 | W | 86.9 | Confident | 83.3 | Confident | 194 Ų | 194 | 117.6 Ų | 117.6 | 74% | 0.735 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.2 | -46.4 | 175.3 | -169.4 | 2 | 0 | 0 | 0 | 110.9 | F598 G600 C604 S605 S606 | F598-W602 VanDerWaalsContact O-CB 3.28Å; F598-W602 WeakPolarHBondContact O-CB 3.28Å; F598-W602 PolarHBondContact O-N 3.47Å; G600-W602 VanDerWaalsContact C-N 3.34Å; G600-W602 PolarHBondContact O-N 3.2Å; W602-C604 PolarHBondContact O-N 3.43Å; W602-S605 PolarHBondContact O-N 3.43Å; W602-S606 WeakPolarHBondContact O-CB 3.27Å; W602-S606 PolarHBondContact O-N 2.84Å; W602-S606 PolarHBondContact O-OG 3.4Å |
| 603 | K | 85.1 | Confident | 82.7 | Confident | 156 Ų | 156 | 118.9 Ų | 118.9 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.4 | -45.6 | 173.9 | -78.2 | -173.1 | 173.7 | -171.7 | 0 | 112.3 | V599 G600 S605 F607 | V599-K603 WeakPolarHBondContact O-CG 3.46Å; V599-K603 PolarHBondContact O-N 2.88Å; G600-K603 PolarHBondContact O-N 3.39Å; K603-S605 VanDerWaalsContact C-N 3.35Å; K603-S605 PolarHBondContact O-N 2.9Å; K603-F607 WeakPolarHBondContact O-CB 3.38Å; K603-F607 PolarHBondContact O-N 3.47Å |
| 604 | C | 81.5 | Confident | 81.9 | Confident | 82 Ų | 82 | 121 Ų | 121 | 55% | 0.554 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.6 | -36 | 176.6 | -69.2 | 0 | 0 | 0 | 0 | 113.1 | G600 L601 W602 R608 | G600-C604 PolarHBondContact O-N 2.97Å; G600-C604 PolarHBondContact O-SG 3.25Å; G600-C604 VanDerWaalsContact O-SG 3.39Å; L601-C604 PolarHBondContact O-N 2.86Å; W602-C604 PolarHBondContact O-N 3.43Å; C604-R608 WeakPolarHBondContact O-CG 3.34Å; C604-R608 PolarHBondContact O-N 3.29Å |
| 605 | S | 78.2 | Confident | 81.1 | Confident | 68 Ų | 68 | 123.9 Ų | 123.9 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.5 | -47 | 177.4 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | L601 W602 K603 F607 R608 L609 | L601-S605 VanDerWaalsContact O-CB 3.27Å; L601-S605 WeakPolarHBondContact O-CB 3.48Å; L601-S605 PolarHBondContact O-N 3.29Å; W602-S605 PolarHBondContact O-N 3.43Å; K603-S605 VanDerWaalsContact C-N 3.35Å; K603-S605 PolarHBondContact O-N 2.9Å; S605-F607 VanDerWaalsContact C-N 3.3Å; S605-F607 PolarHBondContact O-N 3.03Å; S605-R608 CarbonylContact O-C 3.45Å; S605-R608 WeakPolarHBondContact O-CA 3.49Å; S605-R608 PolarHBondContact O-N 3.37Å; S605-L609 WeakPolarHBondContact O-CD1 3.48Å; S605-L609 PolarHBondContact O-N 3.27Å |
| 606 | S | 75.4 | Confident | 80.1 | Confident | 50 Ų | 50 | 126.4 Ų | 126.4 | 35% | 0.35 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61 | -37.1 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | W602 R608 L609 L610 | W602-S606 WeakPolarHBondContact O-CB 3.27Å; W602-S606 PolarHBondContact O-N 2.84Å; W602-S606 PolarHBondContact O-OG 3.4Å; S606-R608 PolarHBondContact O-N 3.4Å; S606-L609 PolarHBondContact O-N 3.12Å; S606-L609 VanDerWaalsContact O-N 3.12Å; S606-L610 WeakPolarHBondContact O-CD1 3.42Å; S606-L610 PolarHBondContact O-N 3.35Å |
| 607 | F | 69.4 | Low | 79.2 | Confident | 167 Ų | 167 | 124.8 Ų | 124.8 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.3 | -22.3 | 175.5 | -147.9 | -88.9 | 0 | 0 | 0 | 113.1 | K603 S605 | K603-F607 WeakPolarHBondContact O-CB 3.38Å; K603-F607 PolarHBondContact O-N 3.47Å; S605-F607 VanDerWaalsContact C-N 3.3Å; S605-F607 PolarHBondContact O-N 3.03Å |
| 608 | R | 71.3 | Confident | 78 | Confident | 209 Ų | 209 | 127.9 Ų | 127.9 | 79% | 0.789 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 6.7 | 171.7 | -71.6 | -172.6 | 179.7 | -154.4 | 1.9 | 114.3 | C604 S605 S606 | C604-R608 WeakPolarHBondContact O-CG 3.34Å; C604-R608 PolarHBondContact O-N 3.29Å; S605-R608 CarbonylContact O-C 3.45Å; S605-R608 WeakPolarHBondContact O-CA 3.49Å; S605-R608 PolarHBondContact O-N 3.37Å; S606-R608 PolarHBondContact O-N 3.4Å |
| 609 | L | 66.7 | Low | 76.8 | Confident | 143 Ų | 143 | 126.9 Ų | 126.9 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -113.9 | -2 | 169.5 | -93.3 | 83.7 | 0 | 0 | 0 | 112.8 | S605 S606 | S605-L609 WeakPolarHBondContact O-CD1 3.48Å; S605-L609 PolarHBondContact O-N 3.27Å; S606-L609 PolarHBondContact O-N 3.12Å; S606-L609 VanDerWaalsContact O-N 3.12Å |
| 610 | L | 61 | Low | 75.6 | Confident | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | trans | -112.6 | 9.1 | 174.5 | -85.3 | 102.3 | 0 | 0 | 0 | 113.4 | S606 | S606-L610 WeakPolarHBondContact O-CD1 3.42Å; S606-L610 PolarHBondContact O-N 3.35Å | ||
| 611 | H | 53.1 | Low | 74.2 | Confident | 216 Ų | 216 | 140.8 Ų | 140.8 | 100% | 1 | 68% | 0.677 | S | S | * | * | trans | -146.5 | 0 | 172.6 | -171.8 | -31.1 | 0 | 0 | 0 | 108.6 |
Retrieved 611 of 611 residues in 83.2 ms
(Link to these results)