| 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 | 28.2 | Very low | 51.4 | Low | 224 Ų | 224 | 112.5 Ų | 112.5 | 100% | 1.103 | 57% | 0.567 | S | S | * | * | 0 | 164.1 | 0 | -85.4 | -172.8 | 171.4 | 0 | 0 | 109.4 | V3 | M1-V3 PolarHBondContact O-N 2.93Š| |||
| 2 | S | 27.1 | Very low | 53.3 | Low | 105 Ų | 105 | 103.2 Ų | 103.2 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | trans | -50.8 | 126.4 | -166.3 | -179.4 | 0 | 0 | 0 | 0 | 115.2 | R4 | S2-R4 PolarHBondContact O-N 2.73Š| ||
| 3 | V | 30.5 | Very low | 55 | Low | 94 Ų | 94 | 97.3 Ų | 97.3 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | trans | -66.2 | 97.6 | 160.6 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | M1 S5 | M1-V3 PolarHBondContact O-N 2.93Å; V3-S5 PolarHBondContact O-N 3.02Å | ||
| 4 | R | 39.1 | Very low | 56.4 | Low | 225 Ų | 225 | 99.7 Ų | 99.7 | 85% | 0.849 | 50% | 0.502 | S | S | * | . | trans | -61.6 | 134.9 | 175.7 | -83.7 | -178.4 | 166.3 | 168.4 | -3.9 | 110.4 | S2 | S2-R4 PolarHBondContact O-N 2.73Š| ||
| 5 | S | 49.4 | Very low | 58 | Low | 47 Ų | 47 | 93.2 Ų | 93.2 | 33% | 0.329 | 47% | 0.47 | S | S | . | . | trans | -58.9 | 135.3 | 165.9 | 165.6 | 0 | 0 | 0 | 0 | 110.3 | V3 L7 | V3-S5 PolarHBondContact O-N 3.02Å; S5-L7 VanDerWaalsContact C-N 3.26Å; S5-L7 WeakPolarHBondContact CB-O 3.37Å; S5-L7 PolarHBondContact O-N 3.48Å; S5-L7 PolarHBondContact OG-N 3.11Å; S5-L7 PolarHBondContact OG-O 2.73Å | ||
| 6 | E | 53.3 | Low | 59.5 | Low | 165 Ų | 165 | 93.8 Ų | 93.8 | 77% | 0.771 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -67.9 | -27.5 | 173.9 | -63.4 | -176 | 164.7 | 0 | 0 | 112.1 | S8 A63 | E6-S8 PolarHBondContact O-N 3.48Å; E6-A63 HydrophobicContact CB-CB 3.98Å; E6-A63 WeakPolarHBondContact O-CB 3.3Å |
| 7 | L | 61.5 | Low | 60.8 | Low | 2 Ų | 2 | 96.1 Ų | 96.1 | 1% | 0.01 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -73.3 | 117.1 | 159.2 | -79.9 | 87.8 | 0 | 0 | 0 | 108.3 | S5 K11 L12 I15 V61 F93 N106 | S5-L7 VanDerWaalsContact C-N 3.26Å; S5-L7 WeakPolarHBondContact CB-O 3.37Å; S5-L7 PolarHBondContact O-N 3.48Å; S5-L7 PolarHBondContact OG-N 3.11Å; S5-L7 PolarHBondContact OG-O 2.73Å; L7-K11 HydrophobicContact CD2-CB 4.45Å; L7-L12 HydrophobicContact CB-CD2 3.57Å; L7-L12 HydrophobicContact CB-CG 3.94Å; L7-L12 HydrophobicContact CD2-CD2 3.85Å; L7-L12 HydrophobicContact CG-CD2 4.3Å; L7-I15 HydrophobicContact CD2-CD1 3.75Å; L7-V61 HydrophobicContact CD2-CG1 4.08Å; L7-F93 HydrophobicContact CD2-CZ 4.19Å; L7-N106 WeakPolarHBondContact CD1-ND2 3.29Å |
| 8 | S | 66.4 | Low | 62 | Low | 58 Ų | 58 | 93.2 Ų | 93.2 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | trans | -51.9 | 144.7 | 172.1 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | E6 Q10 K11 L12 | E6-S8 PolarHBondContact O-N 3.48Å; S8-Q10 PolarHBondContact O-N 3.48Å; S8-K11 WeakPolarHBondContact O-CA 3.2Å; S8-K11 PolarHBondContact O-N 3.28Å; S8-K11 PolarHBondContact OG-N 2.81Å; S8-L12 PolarHBondContact O-N 2.67Å | ||
| 9 | E | 70.6 | Confident | 63.4 | Low | 117 Ų | 117 | 89.3 Ų | 89.3 | 55% | 0.547 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.5 | -26.4 | 177.3 | -80.9 | -64.2 | 151.6 | 0 | 0 | 112.7 | L12 G13 R16 | E9-L12 PolarHBondContact O-N 3.21Å; E9-G13 PolarHBondContact O-N 2.81Å; E9-R16 IonicContact OE1-NH2 3.73Å; E9-R16 IonicContact OE2-CZ 3.76Å; E9-R16 IonicContact OE2-NH1 2.76Å; E9-R16 PolarHBondContact OE2-NH1 3.15Å; E9-R16 IonicContact OE2-NH2 2.74Å; E9-R16 PolarHBondContact OE2-NH2 3.4Å |
| 10 | Q | 68.1 | Low | 64.6 | Low | 150 Ų | 150 | 87.9 Ų | 87.9 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.6 | -52.7 | 168.9 | -72 | -178.9 | -14.8 | 0 | 0 | 112.2 | S8 L12 G13 Y14 | S8-Q10 PolarHBondContact O-N 3.48Å; Q10-L12 VanDerWaalsContact C-N 3.26Å; Q10-L12 PolarHBondContact O-N 3.47Å; Q10-G13 PolarHBondContact O-N 3.12Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.38Å; Q10-Y14 PolarHBondContact O-N 2.75Å |
| 11 | K | 71.1 | Confident | 65.4 | Low | 50 Ų | 50 | 89.9 Ų | 89.9 | 22% | 0.217 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 175 | -79.3 | -167.9 | 177.9 | -171.3 | 0 | 111.4 | L7 S8 I15 A63 K64 D65 V67 | L7-K11 HydrophobicContact CD2-CB 4.45Å; S8-K11 WeakPolarHBondContact O-CA 3.2Å; S8-K11 PolarHBondContact O-N 3.28Å; S8-K11 PolarHBondContact OG-N 2.81Å; K11-I15 VanDerWaalsContact O-CG1 3.3Å; K11-I15 WeakPolarHBondContact O-CG1 3.49Å; K11-I15 PolarHBondContact O-N 2.95Å; K11-A63 PolarHBondContact NZ-O 2.89Å; K11-K64 PolarHBondContact NZ-O 3.16Å; K11-K64 VanDerWaalsContact NZ-O 3.14Å; K11-D65 PolarHBondContact NZ-O 2.68Å; K11-V67 HydrophobicContact CD-CG2 4.12Å |
| 12 | L | 74 | Confident | 68.1 | Low | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.005 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 176.7 | -62.2 | -177.5 | 0 | 0 | 0 | 112.8 | L7 S8 E9 Q10 I15 R16 F93 Y95 | L7-L12 HydrophobicContact CB-CD2 3.57Å; L7-L12 HydrophobicContact CB-CG 3.94Å; L7-L12 HydrophobicContact CD2-CD2 3.85Å; L7-L12 HydrophobicContact CG-CD2 4.3Å; S8-L12 PolarHBondContact O-N 2.67Å; E9-L12 PolarHBondContact O-N 3.21Å; Q10-L12 VanDerWaalsContact C-N 3.26Å; Q10-L12 PolarHBondContact O-N 3.47Å; L12-I15 PolarHBondContact O-N 3.25Å; L12-R16 WeakPolarHBondContact O-CB 3.41Å; L12-R16 WeakPolarHBondContact O-CG 3.4Å; L12-R16 PolarHBondContact O-N 2.84Å; L12-F93 HydrophobicContact CD2-CE1 4.06Å; L12-F93 HydrophobicContact CD2-CZ 4.41Å; L12-Y95 HydrophobicContact CD1-CE1 3.81Å; L12-Y95 HydrophobicContact CD2-CE1 3.72Å; L12-Y95 HydrophobicContact CG-CE1 4.38Å |
| 13 | G | 75.4 | Confident | 70.8 | Confident | 27 Ų | 27 | 80.9 Ų | 80.9 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58 | -53.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E9 Q10 I15 R16 E17 | E9-G13 PolarHBondContact O-N 2.81Å; Q10-G13 PolarHBondContact O-N 3.12Å; G13-I15 PolarHBondContact O-N 2.84Å; G13-R16 PolarHBondContact O-N 3.03Å; G13-R16 VanDerWaalsContact O-N 3.09Å; G13-E17 PolarHBondContact O-N 2.65Å |
| 14 | Y | 74.7 | Confident | 73.6 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.9 | -32.7 | 175.5 | -71.6 | -61.9 | 0 | 0 | 0 | 113.2 | Q10 F18 L71 | Q10-Y14 WeakPolarHBondContact O-CD2 3.38Å; Q10-Y14 PolarHBondContact O-N 2.75Å; Y14-F18 VanDerWaalsContact O-CD2 3.26Å; Y14-F18 WeakPolarHBondContact O-CD2 3.32Å; Y14-L71 VanDerWaalsContact O-CD1 3.27Å; Y14-L71 WeakPolarHBondContact O-CD1 3.47Å |
| 15 | I | 80.9 | Confident | 76 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.8 | -46.2 | 174 | -68.6 | 167.6 | 0 | 0 | 0 | 111 | L7 K11 L12 G13 E17 F18 V19 V67 F93 | L7-I15 HydrophobicContact CD2-CD1 3.75Å; K11-I15 VanDerWaalsContact O-CG1 3.3Å; K11-I15 WeakPolarHBondContact O-CG1 3.49Å; K11-I15 PolarHBondContact O-N 2.95Å; L12-I15 PolarHBondContact O-N 3.25Å; G13-I15 PolarHBondContact O-N 2.84Å; I15-E17 PolarHBondContact O-N 3.35Å; I15-F18 PolarHBondContact O-N 3.35Å; I15-V19 HydrophobicContact CG2-CG1 3.96Å; I15-V19 HydrophobicContact CG2-CG2 4.08Å; I15-V19 WeakPolarHBondContact O-CG2 3.32Å; I15-V19 PolarHBondContact O-N 2.73Å; I15-V67 HydrophobicContact CD1-CG1 4.03Å; I15-V67 HydrophobicContact CD1-CG2 4.29Å; I15-V67 HydrophobicContact CG1-CG1 3.6Å; I15-F93 HydrophobicContact CD1-CD2 4.42Å; I15-F93 HydrophobicContact CD1-CE2 3.93Å; I15-F93 HydrophobicContact CD1-CZ 4.08Å; I15-F93 HydrophobicContact CG2-CB 3.8Å; I15-F93 HydrophobicContact CG2-CD1 4.19Å; I15-F93 HydrophobicContact CG2-CD2 3.75Å; I15-F93 HydrophobicContact CG2-CE2 4.32Å; I15-F93 HydrophobicContact CG2-CG 3.66Å |
| 16 | R | 82.2 | Confident | 78 | Confident | 102 Ų | 102 | 75 Ų | 75 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.5 | -29.4 | -176.9 | -76 | 168.6 | -171.7 | 147.1 | 9 | 113.4 | E9 L12 G13 F18 Y95 | E9-R16 IonicContact OE1-NH2 3.73Å; E9-R16 IonicContact OE2-CZ 3.76Å; E9-R16 IonicContact OE2-NH1 2.76Å; E9-R16 PolarHBondContact OE2-NH1 3.15Å; E9-R16 IonicContact OE2-NH2 2.74Å; E9-R16 PolarHBondContact OE2-NH2 3.4Å; L12-R16 WeakPolarHBondContact O-CB 3.41Å; L12-R16 WeakPolarHBondContact O-CG 3.4Å; L12-R16 PolarHBondContact O-N 2.84Å; G13-R16 PolarHBondContact O-N 3.03Å; G13-R16 VanDerWaalsContact O-N 3.09Å; R16-F18 VanDerWaalsContact C-N 3.29Å; R16-F18 PolarHBondContact O-N 3.44Å; R16-Y95 PolarHBondContact NE-OH 2.93Å; R16-Y95 PolarHBondContact NH2-OH 2.91Å; R16-Y95 VanDerWaalsContact NH2-OH 3.16Å |
| 17 | E | 80.9 | Confident | 79.9 | Confident | 134 Ų | 134 | 69 Ų | 69 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -24.3 | 175.3 | -69.8 | 178.8 | 169.5 | 0 | 0 | 114.2 | G13 I15 | G13-E17 PolarHBondContact O-N 2.65Å; I15-E17 PolarHBondContact O-N 3.35Å |
| 18 | F | 82.4 | Confident | 81.5 | Confident | 44 Ų | 44 | 69 Ų | 69 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 7 | -172.3 | -66.3 | -102.5 | 0 | 0 | 0 | 113.2 | Y14 I15 R16 L71 I74 Q75 S91 | Y14-F18 VanDerWaalsContact O-CD2 3.26Å; Y14-F18 WeakPolarHBondContact O-CD2 3.32Å; I15-F18 PolarHBondContact O-N 3.35Å; R16-F18 VanDerWaalsContact C-N 3.29Å; R16-F18 PolarHBondContact O-N 3.44Å; F18-L71 HydrophobicContact CB-CD2 3.62Å; F18-L71 HydrophobicContact CD2-CD1 4.15Å; F18-L71 HydrophobicContact CD2-CD2 4.05Å; F18-L71 HydrophobicContact CE2-CD1 4.4Å; F18-L71 HydrophobicContact CG-CD2 3.82Å; F18-I74 HydrophobicContact CB-CG2 4.49Å; F18-Q75 HydrophobicContact CD1-CB 4.46Å; F18-Q75 HydrophobicContact CE1-CB 4.04Å; F18-Q75 HydrophobicContact CE1-CG 4.34Å; F18-S91 PolarHBondContact O-OG 3.47Å |
| 19 | V | 88.8 | Confident | 82.9 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -131.7 | 154.1 | -179.7 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | I15 S91 F93 L108 | I15-V19 HydrophobicContact CG2-CG1 3.96Å; I15-V19 HydrophobicContact CG2-CG2 4.08Å; I15-V19 WeakPolarHBondContact O-CG2 3.32Å; I15-V19 PolarHBondContact O-N 2.73Å; V19-S91 CarbonylContact C-O 3.58Å; V19-S91 WeakPolarHBondContact CA-O 3.42Å; V19-F93 HydrophobicContact CB-CB 4.31Å; V19-F93 HydrophobicContact CG1-CB 4.2Å; V19-F93 HydrophobicContact CG2-CB 3.86Å; V19-L108 HydrophobicContact CG1-CD1 3.57Å |
| 20 | N | 87.1 | Confident | 84.1 | Confident | 60 Ų | 60 | 68 Ų | 68 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -79.7 | 138.3 | 165.1 | -173.2 | -4.5 | 0 | 0 | 0 | 109.1 | K22 S91 Y92 | N20-K22 PolarHBondContact OD1-N 3.4Å; N20-S91 PolarHBondContact N-O 2.71Å; N20-Y92 HydrophobicContact CB-CD1 3.74Å; N20-Y92 HydrophobicContact CB-CE1 3.77Å; N20-Y92 HydrophobicContact CB-CG 4.37Å; N20-Y92 VanDerWaalsContact ND2-CE1 3.3Å; N20-Y92 WeakPolarHBondContact ND2-CE1 3.33Å |
| 21 | N | 81.1 | Confident | 85.3 | Confident | 131 Ų | 131 | 63 Ų | 63 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | trans | -85.8 | -3.9 | -174.6 | -69.2 | -33.7 | 0 | 0 | 0 | 114.3 | ||||
| 22 | K | 84.6 | Confident | 86.2 | Confident | 93 Ų | 93 | 65.1 Ų | 65.1 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -69.4 | 157.8 | 173 | -64.2 | -176.3 | -175.7 | -175.9 | 0 | 112.4 | N20 P24 E27 | N20-K22 PolarHBondContact OD1-N 3.4Å; K22-P24 WeakPolarHBondContact O-CD 3.49Å; K22-E27 WeakPolarHBondContact CD-OE1 3.38Å; K22-E27 WeakPolarHBondContact CE-OE1 3.23Å; K22-E27 IonicContact NZ-OE1 3.22Å; K22-E27 PolarHBondContact NZ-OE1 2.89Å |
| 23 | D | 84.3 | Confident | 87 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | trans | -67.5 | 122.4 | 165.3 | -176.1 | -6.5 | 0 | 0 | 0 | 108.9 | K25 E26 R94 | D23-K25 PolarHBondContact O-N 3.23Å; D23-K25 WeakPolarHBondContact OD1-CB 3.31Å; D23-K25 PolarHBondContact OD1-N 3.35Å; D23-E26 HydrophobicContact CB-CG 4.21Å; D23-E26 WeakPolarHBondContact CB-OE1 3.33Å; D23-E26 PolarHBondContact N-OE1 2.86Å; D23-E26 VanDerWaalsContact O-CB 3.31Å; D23-E26 WeakPolarHBondContact O-CB 3.22Å; D23-E26 WeakPolarHBondContact O-CG 3.32Å; D23-E26 PolarHBondContact O-N 3.15Å; D23-R94 IonicContact OD1-CZ 3.79Å; D23-R94 IonicContact OD1-NH1 4Å; D23-R94 PolarHBondContact OD1-NH1 3.16Å; D23-R94 IonicContact OD2-CZ 3.99Å; D23-R94 VanDerWaalsContact OD2-CZ 3.27Å; D23-R94 IonicContact OD2-NH1 2.56Å; D23-R94 PolarHBondContact OD2-NH1 3.28Å; D23-R94 IonicContact OD2-NH2 2.76Å; D23-R94 PolarHBondContact OD2-NH2 3.24Å | ||
| 24 | P | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.6 | -19.2 | 177.6 | 21.9 | -32.8 | 0 | 0 | 0 | 113.6 | K22 E26 E27 Y28 Y92 W109 | K22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-E26 PolarHBondContact O-N 3.21Å; P24-E27 PolarHBondContact O-N 3.48Å; P24-Y28 PolarHBondContact O-N 3.24Å; P24-Y92 HydrophobicContact CB-CD1 4.09Å; P24-Y92 HydrophobicContact CB-CD2 4.23Å; P24-Y92 HydrophobicContact CB-CG 3.81Å; P24-Y92 HydrophobicContact CG-CG 4.45Å; P24-W109 HydrophobicContact CB-CD2 3.73Å; P24-W109 HydrophobicContact CB-CE3 3.45Å; P24-W109 VanDerWaalsContact CB-CE3 3.45Å; P24-W109 HydrophobicContact CB-CG 4.19Å; P24-W109 HydrophobicContact CB-CZ3 3.88Å; P24-W109 HydrophobicContact CG-CB 4.45Å; P24-W109 HydrophobicContact CG-CD2 3.45Å; P24-W109 VanDerWaalsContact CG-CD2 3.45Å; P24-W109 HydrophobicContact CG-CE3 3.69Å; P24-W109 HydrophobicContact CG-CG 3.79Å; P24-W109 HydrophobicContact CG-CH2 4.31Å; P24-W109 HydrophobicContact CG-CZ2 4.1Å; P24-W109 HydrophobicContact CG-CZ3 4.12Å |
| 25 | K | 89.3 | Confident | 87.9 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.1 | -22.7 | 171.7 | -66.9 | -171.6 | -177 | 179.5 | 0 | 114 | D23 E27 L48 | D23-K25 PolarHBondContact O-N 3.23Å; D23-K25 WeakPolarHBondContact OD1-CB 3.31Å; D23-K25 PolarHBondContact OD1-N 3.35Å; K25-E27 VanDerWaalsContact C-N 3.31Å; K25-L48 WeakPolarHBondContact O-CD1 3.2Å |
| 26 | E | 90.8 | Very high | 87.6 | Confident | 114 Ų | 114 | 69.7 Ų | 69.7 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.3 | -30.3 | 174.4 | -64.2 | 164.5 | -141.6 | 0 | 0 | 112 | D23 P24 | D23-E26 HydrophobicContact CB-CG 4.21Å; D23-E26 WeakPolarHBondContact CB-OE1 3.33Å; D23-E26 PolarHBondContact N-OE1 2.86Å; D23-E26 VanDerWaalsContact O-CB 3.31Å; D23-E26 WeakPolarHBondContact O-CB 3.22Å; D23-E26 WeakPolarHBondContact O-CG 3.32Å; D23-E26 PolarHBondContact O-N 3.15Å; P24-E26 PolarHBondContact O-N 3.21Å |
| 27 | E | 93.8 | Very high | 86.9 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 19% | 0.187 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -109.9 | -18.2 | -174.5 | -64.9 | -170.8 | 173.7 | 0 | 0 | 113.5 | K22 P24 K25 R47 L48 Y92 | K22-E27 WeakPolarHBondContact CD-OE1 3.38Å; K22-E27 WeakPolarHBondContact CE-OE1 3.23Å; K22-E27 IonicContact NZ-OE1 3.22Å; K22-E27 PolarHBondContact NZ-OE1 2.89Å; P24-E27 PolarHBondContact O-N 3.48Å; K25-E27 VanDerWaalsContact C-N 3.31Å; E27-R47 CarbonylContact O-C 3.58Å; E27-R47 WeakPolarHBondContact O-CA 3.43Å; E27-L48 PolarHBondContact O-N 3.05Å; E27-Y92 WeakPolarHBondContact OE2-CE1 2.98Å; E27-Y92 PolarHBondContact OE2-OH 2.85Å |
| 28 | Y | 96 | Very high | 86 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.5 | -178.1 | -54.2 | -94 | 0 | 0 | 0 | 113.3 | P24 I46 R47 A54 V56 Y92 C111 | P24-Y28 PolarHBondContact O-N 3.24Å; Y28-I46 WeakPolarHBondContact CA-O 3.17Å; Y28-R47 HydrophobicContact CD1-CB 3.85Å; Y28-R47 HydrophobicContact CD1-CG 4Å; Y28-R47 HydrophobicContact CE1-CB 3.76Å; Y28-R47 HydrophobicContact CE1-CG 3.53Å; Y28-R47 PolarHBondContact OH-NE 3.02Å; Y28-A54 HydrophobicContact CD1-CB 4.09Å; Y28-A54 HydrophobicContact CE1-CB 3.99Å; Y28-V56 HydrophobicContact CD1-CG2 4.44Å; Y28-Y92 HydrophobicContact CE2-CE1 4.5Å; Y28-Y92 AromaticContact CE2-CE2 3.69Å; Y28-Y92 HydrophobicContact CE2-CE2 3.69Å; Y28-Y92 AromaticContact CE2-CZ 3.64Å; Y28-Y92 WeakPolarHBondContact CE2-OH 3.26Å; Y28-Y92 PolarHBondContact OH-OH 3.09Å; Y28-C111 HydrophobicContact CE1-CB 3.94Å; Y28-C111 HydrophobicContact CE2-CB 4.18Å |
| 29 | K | 95.5 | Very high | 85.3 | Confident | 94 Ų | 94 | 68.5 Ų | 68.5 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.9 | 166.8 | 177.7 | 173.6 | -177.9 | 174.9 | 0 | 109.4 | A45 I46 L48 | K29-A45 CarbonylContact O-C 3.39Å; K29-A45 WeakPolarHBondContact O-CA 3.1Å; K29-A45 WeakPolarHBondContact O-CB 3.1Å; K29-I46 PolarHBondContact N-O 3.46Å; K29-I46 PolarHBondContact O-N 3Å; K29-L48 HydrophobicContact CB-CD2 3.89Å; K29-L48 HydrophobicContact CB-CG 4.33Å |
| 30 | L | 95.4 | Very high | 84.8 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 30% | 0.304 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 145.4 | 171.2 | -54.7 | -175.5 | 0 | 0 | 0 | 110.4 | Y43 A45 V56 I58 W109 | L30-Y43 HydrophobicContact CB-CD1 4.48Å; L30-Y43 HydrophobicContact CD1-CD1 4.26Å; L30-Y43 HydrophobicContact CD1-CG 4.26Å; L30-Y43 HydrophobicContact CD2-CG 4.35Å; L30-A45 HydrophobicContact CD2-CB 4.05Å; L30-V56 HydrophobicContact CD2-CB 4.15Å; L30-V56 HydrophobicContact CD2-CG1 4.2Å; L30-V56 HydrophobicContact CD2-CG2 4.3Å; L30-I58 HydrophobicContact CD1-CD1 3.77Å; L30-I58 HydrophobicContact CD2-CD1 4.4Å; L30-W109 HydrophobicContact CD1-CH2 3.75Å; L30-W109 HydrophobicContact CD1-CZ2 4.42Å; L30-W109 HydrophobicContact CD1-CZ3 4.26Å; L30-W109 HydrophobicContact CD2-CH2 4.03Å; L30-W109 HydrophobicContact CD2-CZ3 3.67Å; L30-W109 HydrophobicContact CG-CH2 3.9Å; L30-W109 HydrophobicContact CG-CZ3 4.04Å |
| 31 | I | 93.5 | Very high | 84.8 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -64.7 | 176.7 | -62.2 | 171.1 | 0 | 0 | 0 | 110.1 | K44 I46 F53 | I31-K44 HydrophobicContact CB-CD 4.36Å; I31-K44 HydrophobicContact CB-CG 4.45Å; I31-K44 HydrophobicContact CD1-CD 4.17Å; I31-K44 HydrophobicContact CD1-CG 4.23Å; I31-K44 HydrophobicContact CG2-CD 4.33Å; I31-K44 PolarHBondContact N-O 3.42Å; I31-I46 HydrophobicContact CD1-CD1 3.81Å; I31-I46 HydrophobicContact CD1-CG1 3.8Å; I31-F53 HydrophobicContact CD1-CD1 4.29Å; I31-F53 HydrophobicContact CD1-CE1 3.87Å |
| 32 | Q | 90.5 | Very high | 85.3 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.5 | -176 | 64.6 | 179.5 | 56.3 | 0 | 0 | 110.5 | I34 Y43 K44 | Q32-I34 HydrophobicContact CG-CG2 4.05Å; Q32-Y43 CarbonylContact O-C 3.58Å; Q32-Y43 VanDerWaalsContact O-CA 3.24Å; Q32-Y43 WeakPolarHBondContact O-CA 3.08Å; Q32-Y43 WeakPolarHBondContact O-CD1 3.47Å; Q32-K44 HydrophobicContact CG-CB 3.96Å; Q32-K44 HydrophobicContact CG-CD 4.18Å; Q32-K44 PolarHBondContact N-O 2.89Å; Q32-K44 PolarHBondContact O-N 3Å |
| 33 | S | 90.3 | Very high | 85.8 | Confident | 58 Ų | 58 | 62 Ų | 62 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 140.5 | 163.2 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | V42 | S33-V42 PolarHBondContact OG-O 3.37Å |
| 34 | I | 87.8 | Confident | 86.4 | Confident | 53 Ų | 53 | 61 Ų | 61 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | -6.3 | 177.8 | 58.2 | 175.5 | 0 | 0 | 0 | 112.7 | Q32 V42 K44 A55 F114 | Q32-I34 HydrophobicContact CG-CG2 4.05Å; I34-V42 HydrophobicContact CD1-CG1 4.01Å; I34-V42 HydrophobicContact CG1-CB 4.2Å; I34-V42 HydrophobicContact CG1-CG1 3.92Å; I34-V42 WeakPolarHBondContact CG1-O 3.04Å; I34-V42 PolarHBondContact N-O 3.08Å; I34-K44 HydrophobicContact CG2-CB 3.73Å; I34-A55 HydrophobicContact CD1-CB 4.39Å; I34-F114 HydrophobicContact CD1-CD2 4.09Å; I34-F114 HydrophobicContact CD1-CE2 3.8Å |
| 35 | G | 80.5 | Confident | 86.7 | Confident | 32 Ų | 32 | 61 Ų | 61 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | 164.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V42 | G35-V42 PolarHBondContact N-O 3.3Å; G35-V42 PolarHBondContact O-N 3.38Å |
| 36 | T | 75.7 | Confident | 87.1 | Confident | 113 Ų | 113 | 56.7 Ų | 56.7 | 69% | 0.693 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 109.8 | 176.4 | -50.1 | 0 | 0 | 0 | 0 | 108.7 | E41 | T36-E41 HydrophobicContact CG2-CG 4.2Å |
| 37 | G | 66.7 | Low | 87.3 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y39 G40 | G37-Y39 PolarHBondContact O-N 3.23Å; G37-Y39 VanDerWaalsContact O-N 3.09Å; G37-G40 PolarHBondContact N-O 2.56Å; G37-G40 PolarHBondContact O-N 2.68Å |
| 38 | T | 61.8 | Low | 87.3 | Confident | 123 Ų | 123 | 54.5 Ų | 54.5 | 76% | 0.755 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.1 | -175.5 | -31.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 39 | Y | 68.9 | Low | 87.1 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 38% | 0.384 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -9.7 | -174.1 | -56 | -77.2 | 0 | 0 | 0 | 114.4 | G37 | G37-Y39 PolarHBondContact O-N 3.23Å; G37-Y39 VanDerWaalsContact O-N 3.09Å |
| 40 | G | 77.7 | Confident | 87 | Confident | 14 Ų | 14 | 59 Ų | 59 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171 | 179.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116 | G37 I58 | G37-G40 PolarHBondContact N-O 2.56Å; G37-G40 PolarHBondContact O-N 2.68Å; G40-I58 CarbonylContact C-O 3.51Å; G40-I58 VanDerWaalsContact CA-O 3.23Å; G40-I58 WeakPolarHBondContact CA-O 3.37Å |
| 41 | E | 87.7 | Confident | 86.9 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.7 | -175.1 | -68.1 | 157 | 151.4 | 0 | 0 | 109.6 | T36 Y43 I58 | T36-E41 HydrophobicContact CG2-CG 4.2Å; E41-Y43 HydrophobicContact CB-CD2 4.37Å; E41-Y43 HydrophobicContact CB-CE2 3.65Å; E41-I58 PolarHBondContact N-O 2.66Å; E41-I58 PolarHBondContact O-N 2.92Å |
| 42 | V | 91.7 | Very high | 87 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.9 | 179.2 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | S33 I34 G35 A55 V56 K57 | S33-V42 PolarHBondContact OG-O 3.37Å; I34-V42 HydrophobicContact CD1-CG1 4.01Å; I34-V42 HydrophobicContact CG1-CB 4.2Å; I34-V42 HydrophobicContact CG1-CG1 3.92Å; I34-V42 WeakPolarHBondContact CG1-O 3.04Å; I34-V42 PolarHBondContact N-O 3.08Å; G35-V42 PolarHBondContact N-O 3.3Å; G35-V42 PolarHBondContact O-N 3.38Å; V42-A55 HydrophobicContact CG1-CB 4.3Å; V42-V56 CarbonylContact C-O 3.57Å; V42-V56 WeakPolarHBondContact CA-O 3.31Å; V42-K57 HydrophobicContact CG2-CB 4.16Å; V42-K57 HydrophobicContact CG2-CG 4.17Å |
| 43 | Y | 94.3 | Very high | 87.2 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.6 | -178.3 | -70.8 | -99 | 0 | 0 | 0 | 112.4 | L30 Q32 E41 A55 V56 I58 | L30-Y43 HydrophobicContact CB-CD1 4.48Å; L30-Y43 HydrophobicContact CD1-CD1 4.26Å; L30-Y43 HydrophobicContact CD1-CG 4.26Å; L30-Y43 HydrophobicContact CD2-CG 4.35Å; Q32-Y43 CarbonylContact O-C 3.58Å; Q32-Y43 VanDerWaalsContact O-CA 3.24Å; Q32-Y43 WeakPolarHBondContact O-CA 3.08Å; Q32-Y43 WeakPolarHBondContact O-CD1 3.47Å; E41-Y43 HydrophobicContact CB-CD2 4.37Å; E41-Y43 HydrophobicContact CB-CE2 3.65Å; Y43-A55 CarbonylContact O-C 3.5Å; Y43-A55 WeakPolarHBondContact O-CA 3.37Å; Y43-V56 PolarHBondContact N-O 3.19Å; Y43-V56 PolarHBondContact O-N 3.23Å; Y43-I58 HydrophobicContact CD2-CD1 3.72Å; Y43-I58 HydrophobicContact CD2-CG1 4.12Å; Y43-I58 HydrophobicContact CE2-CD1 3.87Å; Y43-I58 HydrophobicContact CE2-CG1 4.42Å |
| 44 | K | 96.4 | Very high | 87.6 | Confident | 25 Ų | 25 | 62 Ų | 62 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 130.3 | 156.8 | 175.6 | -165.5 | 174.2 | -166.1 | 0 | 107.3 | I31 Q32 I34 F53 F114 E488 | I31-K44 HydrophobicContact CB-CD 4.36Å; I31-K44 HydrophobicContact CB-CG 4.45Å; I31-K44 HydrophobicContact CD1-CD 4.17Å; I31-K44 HydrophobicContact CD1-CG 4.23Å; I31-K44 HydrophobicContact CG2-CD 4.33Å; I31-K44 PolarHBondContact N-O 3.42Å; Q32-K44 HydrophobicContact CG-CB 3.96Å; Q32-K44 HydrophobicContact CG-CD 4.18Å; Q32-K44 PolarHBondContact N-O 2.89Å; Q32-K44 PolarHBondContact O-N 3Å; I34-K44 HydrophobicContact CG2-CB 3.73Å; K44-F53 HydrophobicContact CG-CD1 4.28Å; K44-F114 HydrophobicContact CB-CE2 4.08Å; K44-F114 HydrophobicContact CD-CZ 4.43Å; K44-F114 HydrophobicContact CG-CD2 4.49Å; K44-F114 HydrophobicContact CG-CE2 4.1Å; K44-F114 HydrophobicContact CG-CZ 4.22Å; K44-E488 IonicContact NZ-OE1 2.88Å; K44-E488 PolarHBondContact NZ-OE1 2.81Å; K44-E488 IonicContact NZ-OE2 3.63Å |
| 45 | A | 97 | Very high | 88 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | K29 L30 F53 A54 V56 | K29-A45 CarbonylContact O-C 3.39Å; K29-A45 WeakPolarHBondContact O-CA 3.1Å; K29-A45 WeakPolarHBondContact O-CB 3.1Å; L30-A45 HydrophobicContact CD2-CB 4.05Å; A45-F53 CarbonylContact O-C 3.46Å; A45-F53 WeakPolarHBondContact O-CA 3.47Å; A45-A54 PolarHBondContact N-O 3.34Å; A45-A54 PolarHBondContact O-N 3.03Å; A45-V56 HydrophobicContact CB-CG2 3.67Å |
| 46 | I | 96.7 | Very high | 88.6 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.4 | 162.7 | -76.7 | 163.8 | 0 | 0 | 0 | 108.4 | Y28 K29 I31 L48 F53 | Y28-I46 WeakPolarHBondContact CA-O 3.17Å; K29-I46 PolarHBondContact N-O 3.46Å; K29-I46 PolarHBondContact O-N 3Å; I31-I46 HydrophobicContact CD1-CD1 3.81Å; I31-I46 HydrophobicContact CD1-CG1 3.8Å; I46-L48 PolarHBondContact O-N 2.97Å; I46-F53 HydrophobicContact CD1-CE1 3.92Å; I46-F53 HydrophobicContact CG1-CD1 3.68Å; I46-F53 HydrophobicContact CG1-CE1 3.58Å |
| 47 | R | 95.7 | Very high | 89.5 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 104.9 | 174.5 | -176.7 | 178.2 | -172.6 | -149 | 8.5 | 109.3 | E27 Y28 R49 T50 K51 E52 | E27-R47 CarbonylContact O-C 3.58Å; E27-R47 WeakPolarHBondContact O-CA 3.43Å; Y28-R47 HydrophobicContact CD1-CB 3.85Å; Y28-R47 HydrophobicContact CD1-CG 4Å; Y28-R47 HydrophobicContact CE1-CB 3.76Å; Y28-R47 HydrophobicContact CE1-CG 3.53Å; Y28-R47 PolarHBondContact OH-NE 3.02Å; R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 2.93Å; R47-R49 VanDerWaalsContact O-N 3.08Å; R47-T50 HydrophobicContact CB-CG2 4.48Å; R47-T50 WeakPolarHBondContact CB-OG1 3.33Å; R47-T50 HydrophobicContact CG-CG2 3.88Å; R47-T50 PolarHBondContact O-N 2.83Å; R47-T50 PolarHBondContact O-OG1 3.01Å; R47-K51 PolarHBondContact O-N 3.42Å; R47-E52 PolarHBondContact N-O 2.92Å; R47-E52 IonicContact NH1-OE2 3.76Å |
| 48 | L | 93.4 | Very high | 90.6 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.6 | -159.9 | -74.4 | 172.6 | 0 | 0 | 0 | 114.9 | K25 E27 K29 I46 K51 | K25-L48 WeakPolarHBondContact O-CD1 3.2Å; E27-L48 PolarHBondContact O-N 3.05Å; K29-L48 HydrophobicContact CB-CD2 3.89Å; K29-L48 HydrophobicContact CB-CG 4.33Å; I46-L48 PolarHBondContact O-N 2.97Å; L48-K51 PolarHBondContact O-NZ 2.9Å |
| 49 | R | 91.7 | Very high | 91.9 | Very high | 172 Ų | 172 | 46.5 Ų | 46.5 | 65% | 0.649 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -25.4 | 177.9 | -161.6 | -170.4 | 62.4 | 98.9 | 5.5 | 113.7 | R47 Y1552 | R47-R49 VanDerWaalsContact C-N 3.28Å; R47-R49 PolarHBondContact O-N 2.93Å; R47-R49 VanDerWaalsContact O-N 3.08Å; R49-Y1552 WeakPolarHBondContact CG-OH 3.2Å; R49-Y1552 PolarHBondContact NE-OH 2.92Å; R49-Y1552 VanDerWaalsContact NE-OH 3.16Å; R49-Y1552 PolarHBondContact NH1-OH 2.88Å; R49-Y1552 PolarHBondContact NH2-OH 2.88Å; R49-Y1552 VanDerWaalsContact NH2-OH 3.15Å; R49-Y1552 WeakPolarHBondContact O-CE2 3.47Å; R49-Y1552 PolarHBondContact O-OH 2.83Å |
| 50 | T | 94.4 | Very high | 92.7 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -24.8 | -169.5 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | R47 E52 Y1552 | R47-T50 HydrophobicContact CB-CG2 4.48Å; R47-T50 WeakPolarHBondContact CB-OG1 3.33Å; R47-T50 HydrophobicContact CG-CG2 3.88Å; R47-T50 PolarHBondContact O-N 2.83Å; R47-T50 PolarHBondContact O-OG1 3.01Å; T50-E52 WeakPolarHBondContact CB-OE2 3.11Å; T50-E52 WeakPolarHBondContact CG2-OE2 3.4Å; T50-E52 PolarHBondContact O-N 2.99Å; T50-E52 VanDerWaalsContact O-N 3.14Å; T50-E52 WeakPolarHBondContact OG1-CB 3.3Å; T50-E52 WeakPolarHBondContact OG1-CG 3.11Å; T50-E52 PolarHBondContact OG1-N 3.32Å; T50-E52 PolarHBondContact OG1-OE2 3.5Å; T50-Y1552 WeakPolarHBondContact CA-OH 3.34Å; T50-Y1552 HydrophobicContact CG2-CE1 3.72Å; T50-Y1552 VanDerWaalsContact CG2-OH 3.29Å; T50-Y1552 WeakPolarHBondContact CG2-OH 3.31Å; T50-Y1552 PolarHBondContact N-OH 2.85Å |
| 51 | K | 93.6 | Very high | 92.8 | Very high | 148 Ų | 148 | 46 Ų | 46 | 64% | 0.643 | 21% | 0.205 | S | C | * | . | trans | 62.4 | -5.4 | -165 | -47.3 | -50.8 | -177.6 | -162.5 | 0 | 116 | R47 L48 | R47-K51 PolarHBondContact O-N 3.42Å; L48-K51 PolarHBondContact O-NZ 2.9Å | ||
| 52 | E | 93.9 | Very high | 92.4 | Very high | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | trans | -59.6 | 150.7 | 171.1 | -54.9 | 162.5 | 146.9 | 0 | 0 | 111.9 | R47 T50 | R47-E52 PolarHBondContact N-O 2.92Å; R47-E52 IonicContact NH1-OE2 3.76Å; T50-E52 WeakPolarHBondContact CB-OE2 3.11Å; T50-E52 WeakPolarHBondContact CG2-OE2 3.4Å; T50-E52 PolarHBondContact O-N 2.99Å; T50-E52 VanDerWaalsContact O-N 3.14Å; T50-E52 WeakPolarHBondContact OG1-CB 3.3Å; T50-E52 WeakPolarHBondContact OG1-CG 3.11Å; T50-E52 PolarHBondContact OG1-N 3.32Å; T50-E52 PolarHBondContact OG1-OE2 3.5Å | ||
| 53 | F | 96.5 | Very high | 91.4 | Very high | 93 Ų | 93 | 45.3 Ų | 45.3 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 140.2 | 169.5 | -66.8 | -62.4 | 0 | 0 | 0 | 111.7 | I31 K44 A45 I46 F114 | I31-F53 HydrophobicContact CD1-CD1 4.29Å; I31-F53 HydrophobicContact CD1-CE1 3.87Å; K44-F53 HydrophobicContact CG-CD1 4.28Å; A45-F53 CarbonylContact O-C 3.46Å; A45-F53 WeakPolarHBondContact O-CA 3.47Å; I46-F53 HydrophobicContact CD1-CE1 3.92Å; I46-F53 HydrophobicContact CG1-CD1 3.68Å; I46-F53 HydrophobicContact CG1-CE1 3.58Å; F53-F114 HydrophobicContact CB-CB 3.79Å; F53-F114 HydrophobicContact CB-CD1 3.64Å; F53-F114 HydrophobicContact CB-CG 3.89Å; F53-F114 HydrophobicContact CD2-CD1 4.49Å; F53-F114 HydrophobicContact CG-CD1 4.23Å |
| 54 | A | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y28 A45 F89 M112 | Y28-A54 HydrophobicContact CD1-CB 4.09Å; Y28-A54 HydrophobicContact CE1-CB 3.99Å; A45-A54 PolarHBondContact N-O 3.34Å; A45-A54 PolarHBondContact O-N 3.03Å; A54-F89 HydrophobicContact CB-CD2 3.95Å; A54-F89 HydrophobicContact CB-CE2 3.93Å; A54-M112 CarbonylContact C-O 3.56Å; A54-M112 WeakPolarHBondContact CA-O 3.33Å |
| 55 | A | 96 | Very high | 89.2 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I34 V42 Y43 C111 M112 | I34-A55 HydrophobicContact CD1-CB 4.39Å; V42-A55 HydrophobicContact CG1-CB 4.3Å; Y43-A55 CarbonylContact O-C 3.5Å; Y43-A55 WeakPolarHBondContact O-CA 3.37Å; A55-C111 WeakPolarHBondContact O-CA 3.44Å; A55-M112 HydrophobicContact CB-CG 3.85Å; A55-M112 PolarHBondContact N-O 3.13Å; A55-M112 PolarHBondContact O-N 3.04Å |
| 56 | V | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 104.5 | -177 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | Y28 L30 V42 Y43 A45 I58 W109 I110 | Y28-V56 HydrophobicContact CD1-CG2 4.44Å; L30-V56 HydrophobicContact CD2-CB 4.15Å; L30-V56 HydrophobicContact CD2-CG1 4.2Å; L30-V56 HydrophobicContact CD2-CG2 4.3Å; V42-V56 CarbonylContact C-O 3.57Å; V42-V56 WeakPolarHBondContact CA-O 3.31Å; Y43-V56 PolarHBondContact N-O 3.19Å; Y43-V56 PolarHBondContact O-N 3.23Å; A45-V56 HydrophobicContact CB-CG2 3.67Å; V56-I58 HydrophobicContact CG1-CD1 4.29Å; V56-I58 HydrophobicContact CG1-CG1 3.83Å; V56-W109 HydrophobicContact CG1-CB 4.33Å; V56-W109 HydrophobicContact CG1-CD2 4.06Å; V56-W109 HydrophobicContact CG1-CE3 3.41Å; V56-W109 VanDerWaalsContact CG1-CE3 3.41Å; V56-W109 HydrophobicContact CG1-CG 4.47Å; V56-W109 HydrophobicContact CG1-CZ3 4.07Å; V56-I110 WeakPolarHBondContact CA-O 3.41Å |
| 57 | K | 92.8 | Very high | 87.3 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 110.3 | 175.5 | -179.4 | 175.6 | 175.6 | -173 | 0 | 108.3 | V42 I59 E73 I110 M112 D177 | V42-K57 HydrophobicContact CG2-CB 4.16Å; V42-K57 HydrophobicContact CG2-CG 4.17Å; K57-I59 HydrophobicContact CG-CG1 4.33Å; K57-E73 IonicContact NZ-OE1 2.8Å; K57-E73 PolarHBondContact NZ-OE1 2.98Å; K57-E73 IonicContact NZ-OE2 3.78Å; K57-E73 PolarHBondContact NZ-OE2 2.81Å; K57-I110 HydrophobicContact CB-CB 4.31Å; K57-I110 PolarHBondContact N-O 2.9Å; K57-I110 PolarHBondContact O-N 3.23Å; K57-M112 HydrophobicContact CB-CE 4.1Å; K57-D177 IonicContact NZ-OD1 3.9Å; K57-D177 PolarHBondContact NZ-OD1 3.16Å |
| 58 | I | 91.5 | Very high | 86.4 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 110.7 | -177.9 | -55.7 | -177.4 | 0 | 0 | 0 | 109 | L30 G40 E41 Y43 V56 K107 L108 W109 | L30-I58 HydrophobicContact CD1-CD1 3.77Å; L30-I58 HydrophobicContact CD2-CD1 4.4Å; G40-I58 CarbonylContact C-O 3.51Å; G40-I58 VanDerWaalsContact CA-O 3.23Å; G40-I58 WeakPolarHBondContact CA-O 3.37Å; E41-I58 PolarHBondContact N-O 2.66Å; E41-I58 PolarHBondContact O-N 2.92Å; Y43-I58 HydrophobicContact CD2-CD1 3.72Å; Y43-I58 HydrophobicContact CD2-CG1 4.12Å; Y43-I58 HydrophobicContact CE2-CD1 3.87Å; Y43-I58 HydrophobicContact CE2-CG1 4.42Å; V56-I58 HydrophobicContact CG1-CD1 4.29Å; V56-I58 HydrophobicContact CG1-CG1 3.83Å; I58-K107 HydrophobicContact CG2-CB 4.21Å; I58-K107 HydrophobicContact CG2-CD 4.06Å; I58-K107 HydrophobicContact CG2-CG 4.32Å; I58-L108 WeakPolarHBondContact CA-O 3.45Å; I58-W109 HydrophobicContact CD1-CD2 4.03Å; I58-W109 HydrophobicContact CD1-CE3 4.29Å; I58-W109 HydrophobicContact CD1-CH2 4.14Å; I58-W109 HydrophobicContact CD1-CZ2 3.86Å; I58-W109 HydrophobicContact CD1-CZ3 4.36Å; I58-W109 HydrophobicContact CG1-CD2 4.06Å; I58-W109 HydrophobicContact CG1-CG 4.24Å |
| 59 | I | 87.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132 | 179.8 | -62.9 | 173.2 | 0 | 0 | 0 | 108.1 | K57 V61 I70 K107 L108 I110 | K57-I59 HydrophobicContact CG-CG1 4.33Å; I59-V61 HydrophobicContact CG2-CG2 4.08Å; I59-I70 HydrophobicContact CD1-CG2 3.86Å; I59-I70 HydrophobicContact CG2-CD1 4.22Å; I59-K107 WeakPolarHBondContact O-CA 3.29Å; I59-L108 HydrophobicContact CB-CB 4.39Å; I59-L108 PolarHBondContact N-O 2.77Å; I59-L108 PolarHBondContact O-N 2.86Å; I59-I110 HydrophobicContact CD1-CD1 3.83Å |
| 60 | K | 85.5 | Confident | 85 | Confident | 98 Ų | 98 | 46.4 Ų | 46.4 | 43% | 0.426 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.1 | 166.7 | -63.3 | 172.2 | -171.4 | 169 | 0 | 107 | ||
| 61 | V | 81.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | trans | -119.2 | 104.6 | -177.4 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | L7 I59 V67 F93 N106 L108 | L7-V61 HydrophobicContact CD2-CG1 4.08Å; I59-V61 HydrophobicContact CG2-CG2 4.08Å; V61-V67 HydrophobicContact CG1-CG2 4.02Å; V61-F93 HydrophobicContact CB-CE2 4.21Å; V61-F93 HydrophobicContact CG2-CE2 4.24Å; V61-N106 PolarHBondContact N-O 3.29Å; V61-L108 HydrophobicContact CG2-CB 3.76Å; V61-L108 HydrophobicContact CG2-CD2 4.45Å | ||
| 62 | D | 77.7 | Confident | 84 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 25% | 0.251 | 21% | 0.205 | S | C | . | . | trans | -88.7 | 155.9 | 179.7 | -65.9 | -26.5 | 0 | 0 | 0 | 110.2 | K64 D65 | D62-K64 PolarHBondContact O-N 2.76Å; D62-D65 PolarHBondContact N-OD2 3.29Å; D62-D65 PolarHBondContact O-N 2.77Å | ||
| 63 | A | 71.6 | Confident | 83.6 | Confident | 36 Ų | 36 | 38.3 Ų | 38.3 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -25.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E6 K11 | E6-A63 HydrophobicContact CB-CB 3.98Å; E6-A63 WeakPolarHBondContact O-CB 3.3Å; K11-A63 PolarHBondContact NZ-O 2.89Å |
| 64 | K | 70.7 | Confident | 83.2 | Confident | 62 Ų | 62 | 33.9 Ų | 33.9 | 27% | 0.27 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -27.6 | 179.8 | 91.2 | -157.7 | 78 | -143.2 | 0 | 114.1 | K11 D62 N1891 P1892 A1893 N1895 | K11-K64 PolarHBondContact NZ-O 3.16Å; K11-K64 VanDerWaalsContact NZ-O 3.14Å; D62-K64 PolarHBondContact O-N 2.76Å; K64-N1891 PolarHBondContact NZ-O 3.24Å; K64-P1892 HydrophobicContact CD-CB 4.45Å; K64-P1892 WeakPolarHBondContact CD-O 3.44Å; K64-P1892 VanDerWaalsContact CE-C 3.45Å; K64-P1892 WeakPolarHBondContact CE-O 3.34Å; K64-P1892 PolarHBondContact NZ-O 2.74Å; K64-A1893 WeakPolarHBondContact CE-O 3.28Å; K64-A1893 PolarHBondContact NZ-O 3.28Å; K64-N1895 PolarHBondContact NZ-OD1 2.6Å |
| 65 | D | 73.4 | Confident | 82.8 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 21% | 0.214 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -60.7 | 146.2 | -157.7 | -67.9 | -23.2 | 0 | 0 | 0 | 113.1 | K11 D62 V67 | K11-D65 PolarHBondContact NZ-O 2.68Å; D62-D65 PolarHBondContact N-OD2 3.29Å; D62-D65 PolarHBondContact O-N 2.77Å; D65-V67 PolarHBondContact O-N 3.46Å |
| 66 | D | 74.6 | Confident | 82.5 | Confident | 89 Ų | 89 | 36.1 Ų | 36.1 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | trans | -75.3 | 80.6 | 168.4 | -172.1 | 16.1 | 0 | 0 | 0 | 110.4 | R68 A69 | D66-R68 PolarHBondContact O-N 2.78Å; D66-R68 WeakPolarHBondContact OD1-CB 3.32Å; D66-R68 VanDerWaalsContact OD1-CG 3.24Å; D66-R68 WeakPolarHBondContact OD1-CG 3.41Å; D66-R68 PolarHBondContact OD1-N 3.25Å; D66-A69 PolarHBondContact O-N 3.49Å | ||
| 67 | V | 78.7 | Confident | 82.3 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -48 | -29.7 | 171.5 | 174 | 0 | 0 | 0 | 0 | 111.6 | K11 I15 V61 D65 A69 I70 L71 | K11-V67 HydrophobicContact CD-CG2 4.12Å; I15-V67 HydrophobicContact CD1-CG1 4.03Å; I15-V67 HydrophobicContact CD1-CG2 4.29Å; I15-V67 HydrophobicContact CG1-CG1 3.6Å; V61-V67 HydrophobicContact CG1-CG2 4.02Å; D65-V67 PolarHBondContact O-N 3.46Å; V67-A69 VanDerWaalsContact C-N 3.3Å; V67-A69 PolarHBondContact O-N 2.85Å; V67-I70 PolarHBondContact O-N 3.41Å; V67-L71 HydrophobicContact CG1-CD1 3.72Å; V67-L71 HydrophobicContact CG1-CG 3.82Å; V67-L71 WeakPolarHBondContact O-CB 3.42Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.21Å; V67-L71 PolarHBondContact O-N 3.47Å |
| 68 | R | 78 | Confident | 82.2 | Confident | 171 Ų | 171 | 41.1 Ų | 41.1 | 65% | 0.645 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.7 | -35.5 | -179.5 | -55.1 | 172.2 | 178.5 | 175.7 | 0.6 | 112.3 | D66 Q72 | D66-R68 PolarHBondContact O-N 2.78Å; D66-R68 WeakPolarHBondContact OD1-CB 3.32Å; D66-R68 VanDerWaalsContact OD1-CG 3.24Å; D66-R68 WeakPolarHBondContact OD1-CG 3.41Å; D66-R68 PolarHBondContact OD1-N 3.25Å; R68-Q72 VanDerWaalsContact O-CB 3.25Å; R68-Q72 WeakPolarHBondContact O-CB 3.44Å; R68-Q72 PolarHBondContact O-N 3.34Å |
| 69 | A | 75 | Confident | 82.2 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D66 V67 Q72 E73 | D66-A69 PolarHBondContact O-N 3.49Å; V67-A69 VanDerWaalsContact C-N 3.3Å; V67-A69 PolarHBondContact O-N 2.85Å; A69-Q72 PolarHBondContact O-N 3.49Å; A69-E73 PolarHBondContact O-N 3.3Å |
| 70 | I | 80.7 | Confident | 82.4 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.9 | -39.9 | 180 | -50.8 | 169.3 | 0 | 0 | 0 | 110.8 | I59 V67 Q72 E73 I74 L108 | I59-I70 HydrophobicContact CD1-CG2 3.86Å; I59-I70 HydrophobicContact CG2-CD1 4.22Å; V67-I70 PolarHBondContact O-N 3.41Å; I70-Q72 VanDerWaalsContact C-N 3.32Å; I70-E73 WeakPolarHBondContact O-CB 3.06Å; I70-E73 PolarHBondContact O-N 3.08Å; I70-I74 WeakPolarHBondContact O-CG1 3.47Å; I70-I74 PolarHBondContact O-N 3.44Å; I70-I74 VanDerWaalsContact O-N 3.08Å; I70-L108 HydrophobicContact CG2-CD2 3.37Å |
| 71 | L | 82.7 | Confident | 82.8 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -33.3 | 172.4 | -66.9 | -178.1 | 0 | 0 | 0 | 112.2 | Y14 F18 V67 I74 Q75 | Y14-L71 VanDerWaalsContact O-CD1 3.27Å; Y14-L71 WeakPolarHBondContact O-CD1 3.47Å; F18-L71 HydrophobicContact CB-CD2 3.62Å; F18-L71 HydrophobicContact CD2-CD1 4.15Å; F18-L71 HydrophobicContact CD2-CD2 4.05Å; F18-L71 HydrophobicContact CE2-CD1 4.4Å; F18-L71 HydrophobicContact CG-CD2 3.82Å; V67-L71 HydrophobicContact CG1-CD1 3.72Å; V67-L71 HydrophobicContact CG1-CG 3.82Å; V67-L71 WeakPolarHBondContact O-CB 3.42Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.21Å; V67-L71 PolarHBondContact O-N 3.47Å; L71-I74 PolarHBondContact O-N 3.45Å; L71-Q75 WeakPolarHBondContact O-CB 3.4Å; L71-Q75 PolarHBondContact O-N 2.69Å |
| 72 | Q | 82.7 | Confident | 83.6 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -35.1 | 174.3 | -174.2 | 162 | 0.3 | 0 | 0 | 112.1 | R68 A69 I70 T76 | R68-Q72 VanDerWaalsContact O-CB 3.25Å; R68-Q72 WeakPolarHBondContact O-CB 3.44Å; R68-Q72 PolarHBondContact O-N 3.34Å; A69-Q72 PolarHBondContact O-N 3.49Å; I70-Q72 VanDerWaalsContact C-N 3.32Å; Q72-T76 VanDerWaalsContact O-CB 3.25Å; Q72-T76 WeakPolarHBondContact O-CB 3.18Å; Q72-T76 PolarHBondContact O-N 3.28Å; Q72-T76 PolarHBondContact O-OG1 3.33Å |
| 73 | E | 86.1 | Confident | 84.5 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -54.3 | 167.6 | -174 | -173.6 | 140.8 | 0 | 0 | 110.6 | K57 A69 I70 Q75 T76 L77 F178 G179 | K57-E73 IonicContact NZ-OE1 2.8Å; K57-E73 PolarHBondContact NZ-OE1 2.98Å; K57-E73 IonicContact NZ-OE2 3.78Å; K57-E73 PolarHBondContact NZ-OE2 2.81Å; A69-E73 PolarHBondContact O-N 3.3Å; I70-E73 WeakPolarHBondContact O-CB 3.06Å; I70-E73 PolarHBondContact O-N 3.08Å; E73-Q75 PolarHBondContact O-N 2.65Å; E73-T76 PolarHBondContact O-N 3.47Å; E73-L77 WeakPolarHBondContact O-CB 3.17Å; E73-L77 PolarHBondContact O-N 2.87Å; E73-F178 HydrophobicContact CG-CB 4.18Å; E73-G179 WeakPolarHBondContact OE2-CA 3.49Å |
| 74 | I | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | -178.5 | -70.7 | 171.8 | 0 | 0 | 0 | 111.4 | F18 I70 L71 L77 R78 F88 L108 I110 | F18-I74 HydrophobicContact CB-CG2 4.49Å; I70-I74 WeakPolarHBondContact O-CG1 3.47Å; I70-I74 PolarHBondContact O-N 3.44Å; I70-I74 VanDerWaalsContact O-N 3.08Å; L71-I74 PolarHBondContact O-N 3.45Å; I74-L77 PolarHBondContact O-N 3.49Å; I74-R78 WeakPolarHBondContact O-CB 3.27Å; I74-R78 PolarHBondContact O-N 3.13Å; I74-F88 HydrophobicContact CG2-CE2 4.4Å; I74-F88 HydrophobicContact CG2-CZ 4.2Å; I74-L108 HydrophobicContact CD1-CD1 4.3Å; I74-L108 HydrophobicContact CD1-CD2 3.85Å; I74-L108 HydrophobicContact CD1-CG 4.36Å; I74-I110 HydrophobicContact CD1-CD1 3.96Å; I74-I110 HydrophobicContact CD1-CG1 3.96Å; I74-I110 HydrophobicContact CG1-CD1 3.63Å; I74-I110 HydrophobicContact CG1-CG1 3.94Å |
| 75 | Q | 89.3 | Confident | 87 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 179.1 | -175.6 | 70.8 | -11.1 | 0 | 0 | 111.6 | F18 L71 E73 L77 R78 E79 | F18-Q75 HydrophobicContact CD1-CB 4.46Å; F18-Q75 HydrophobicContact CE1-CB 4.04Å; F18-Q75 HydrophobicContact CE1-CG 4.34Å; L71-Q75 WeakPolarHBondContact O-CB 3.4Å; L71-Q75 PolarHBondContact O-N 2.69Å; E73-Q75 PolarHBondContact O-N 2.65Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-L77 PolarHBondContact O-N 3.44Å; Q75-R78 PolarHBondContact O-N 2.79Å; Q75-E79 HydrophobicContact CG-CG 4.5Å; Q75-E79 PolarHBondContact NE2-OE1 2.85Å; Q75-E79 WeakPolarHBondContact O-CB 3.28Å; Q75-E79 VanDerWaalsContact O-CG 3.29Å; Q75-E79 WeakPolarHBondContact O-CG 3.41Å; Q75-E79 PolarHBondContact O-N 3.26Å; Q75-E79 VanDerWaalsContact O-N 3.08Å |
| 76 | T | 88.2 | Confident | 88.1 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | Q72 E73 C80 K155 F178 A181 | Q72-T76 VanDerWaalsContact O-CB 3.25Å; Q72-T76 WeakPolarHBondContact O-CB 3.18Å; Q72-T76 PolarHBondContact O-N 3.28Å; Q72-T76 PolarHBondContact O-OG1 3.33Å; E73-T76 PolarHBondContact O-N 3.47Å; T76-C80 WeakPolarHBondContact O-CB 3.14Å; T76-C80 PolarHBondContact O-N 2.92Å; T76-C80 PolarHBondContact O-SG 3.43Å; T76-K155 HydrophobicContact CG2-CD 4.1Å; T76-K155 PolarHBondContact O-NZ 3.32Å; T76-F178 HydrophobicContact CG2-CB 4.08Å; T76-F178 HydrophobicContact CG2-CD1 3.67Å; T76-F178 HydrophobicContact CG2-CG 4.11Å; T76-A181 HydrophobicContact CG2-CB 3.88Å |
| 77 | L | 90.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | -179.4 | -179.8 | 57.5 | 0 | 0 | 0 | 112.9 | E73 I74 Q75 E79 V86 F88 I110 M112 F178 | E73-L77 WeakPolarHBondContact O-CB 3.17Å; E73-L77 PolarHBondContact O-N 2.87Å; I74-L77 PolarHBondContact O-N 3.49Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-L77 PolarHBondContact O-N 3.44Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 2.94Å; L77-V86 HydrophobicContact CD1-CG1 3.95Å; L77-V86 WeakPolarHBondContact CD1-O 3.46Å; L77-F88 HydrophobicContact CD1-CB 4.46Å; L77-F88 HydrophobicContact CD2-CD2 3.96Å; L77-F88 HydrophobicContact CG-CB 4.04Å; L77-F88 HydrophobicContact CG-CD2 3.85Å; L77-F88 HydrophobicContact CG-CG 4.32Å; L77-I110 HydrophobicContact CD2-CG2 4.07Å; L77-M112 HydrophobicContact CD2-CE 4.05Å; L77-F178 HydrophobicContact CB-CD2 4.25Å; L77-F178 HydrophobicContact CD1-CD2 3.86Å; L77-F178 HydrophobicContact CD1-CE2 3.79Å; L77-F178 HydrophobicContact CG-CD2 4.5Å |
| 78 | R | 91.6 | Very high | 89.9 | Confident | 113 Ų | 113 | 44.2 Ų | 44.2 | 43% | 0.426 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -33.5 | 176.7 | 179.5 | 179.1 | -176.9 | -176.9 | 3.6 | 113.1 | I74 Q75 F88 | I74-R78 WeakPolarHBondContact O-CB 3.27Å; I74-R78 PolarHBondContact O-N 3.13Å; Q75-R78 PolarHBondContact O-N 2.79Å; R78-F88 HydrophobicContact CB-CD1 3.79Å; R78-F88 HydrophobicContact CB-CE1 3.76Å; R78-F88 HydrophobicContact CB-CG 4.31Å; R78-F88 HydrophobicContact CB-CZ 4.25Å; R78-F88 HydrophobicContact CG-CD1 3.91Å; R78-F88 HydrophobicContact CG-CE1 3.72Å |
| 79 | E | 91 | Very high | 90.6 | Very high | 61 Ų | 61 | 38.8 Ų | 38.8 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -84.5 | -34.6 | 178.5 | -74.7 | 176 | 165.2 | 0 | 0 | 113.4 | Q75 L77 R81 K155 K1733 | Q75-E79 HydrophobicContact CG-CG 4.5Å; Q75-E79 PolarHBondContact NE2-OE1 2.85Å; Q75-E79 WeakPolarHBondContact O-CB 3.28Å; Q75-E79 VanDerWaalsContact O-CG 3.29Å; Q75-E79 WeakPolarHBondContact O-CG 3.41Å; Q75-E79 PolarHBondContact O-N 3.26Å; Q75-E79 VanDerWaalsContact O-N 3.08Å; L77-E79 VanDerWaalsContact C-N 3.31Å; L77-E79 PolarHBondContact O-N 2.94Å; E79-R81 PolarHBondContact O-N 3.22Å; E79-K155 VanDerWaalsContact OE2-CE 3.29Å; E79-K155 WeakPolarHBondContact OE2-CE 3.3Å; E79-K155 IonicContact OE2-NZ 3.68Å; E79-K155 PolarHBondContact OE2-NZ 3.28Å; E79-K1733 VanDerWaalsContact CG-NZ 3.33Å; E79-K1733 IonicContact OE1-NZ 2.8Å; E79-K1733 PolarHBondContact OE1-NZ 2.97Å |
| 80 | C | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -75 | 110.7 | -178.9 | -73.4 | 0 | 0 | 0 | 0 | 111 | T76 I85 Y149 | T76-C80 WeakPolarHBondContact O-CB 3.14Å; T76-C80 PolarHBondContact O-N 2.92Å; T76-C80 PolarHBondContact O-SG 3.43Å; C80-I85 HydrophobicContact CB-CD1 3.94Å; C80-I85 HydrophobicContact CB-CG2 4.1Å; C80-Y149 HydrophobicContact CB-CE1 4.1Å | ||
| 81 | R | 94.1 | Very high | 92.1 | Very high | 178 Ų | 178 | 37.1 Ų | 37.1 | 67% | 0.672 | 17% | 0.173 | S | C | * | . | trans | -126.2 | 99.8 | 175.5 | -64.9 | -175.5 | -176.8 | -172.2 | -1.8 | 109.4 | E79 Y149 | E79-R81 PolarHBondContact O-N 3.22Å; R81-Y149 PolarHBondContact N-OH 3.04Å; R81-Y149 WeakPolarHBondContact O-CE2 3.47Å; R81-Y149 PolarHBondContact O-OH 2.91Å | ||
| 82 | H | 97.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 36.6 Ų | 36.6 | 22% | 0.222 | 17% | 0.17 | C | C | . | . | trans | -150.3 | 148.9 | -178.7 | -173 | -106.3 | 0 | 0 | 0 | 109.6 | N84 I85 Y149 | H82-N84 PolarHBondContact CE1-OD1 2.76Å; H82-N84 VanDerWaalsContact CE1-OD1 3.23Å; H82-N84 PolarHBondContact ND1-N 2.81Å; H82-N84 PolarHBondContact O-N 3.13Å; H82-I85 HydrophobicContact CB-CB 4.29Å; H82-I85 HydrophobicContact CB-CD1 4.05Å; H82-I85 HydrophobicContact CB-CG1 4.19Å; H82-I85 PolarHBondContact O-N 3.36Å; H82-Y149 HydrophobicContact CB-CD1 3.73Å; H82-Y149 HydrophobicContact CB-CD2 3.98Å; H82-Y149 HydrophobicContact CB-CE1 4Å; H82-Y149 HydrophobicContact CB-CE2 4.21Å; H82-Y149 HydrophobicContact CB-CG 3.73Å; H82-Y149 AromaticContact CD2-CD2 3.76Å; H82-Y149 AromaticContact CD2-CG 3.85Å; H82-Y149 AromaticContact CG-CG 3.77Å | ||
| 83 | C | 96.9 | Very high | 92.9 | Very high | 84 Ų | 84 | 34.9 Ų | 34.9 | 57% | 0.568 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -35.3 | -177.4 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | K174 | C83-K174 VanDerWaalsContact O-CD 3.32Å; C83-K174 WeakPolarHBondContact O-CD 3.41Å; C83-K174 VanDerWaalsContact O-CE 3.23Å; C83-K174 WeakPolarHBondContact O-CE 3.38Å; C83-K174 PolarHBondContact O-NZ 2.99Å |
| 84 | N | 98.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 20.4 | 177.9 | -49.3 | 111.7 | 0 | 0 | 0 | 114.9 | H82 E142 R145 V173 I175 | H82-N84 PolarHBondContact CE1-OD1 2.76Å; H82-N84 VanDerWaalsContact CE1-OD1 3.23Å; H82-N84 PolarHBondContact ND1-N 2.81Å; H82-N84 PolarHBondContact O-N 3.13Å; N84-E142 VanDerWaalsContact CB-O 3.25Å; N84-E142 WeakPolarHBondContact CB-O 3.4Å; N84-E142 PolarHBondContact ND2-OE2 3.44Å; N84-E142 PolarHBondContact OD1-O 2.74Å; N84-R145 WeakPolarHBondContact OD1-CB 3.41Å; N84-V173 VanDerWaalsContact CA-O 3.26Å; N84-V173 WeakPolarHBondContact CA-O 3.37Å; N84-V173 PolarHBondContact ND2-O 2.81Å; N84-I175 PolarHBondContact O-N 3.42Å |
| 85 | I | 97.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -122.8 | 142.2 | 171.2 | -69.8 | 176.4 | 0 | 0 | 0 | 108.1 | C80 H82 Q87 Y149 M150 I175 F178 | C80-I85 HydrophobicContact CB-CD1 3.94Å; C80-I85 HydrophobicContact CB-CG2 4.1Å; H82-I85 HydrophobicContact CB-CB 4.29Å; H82-I85 HydrophobicContact CB-CD1 4.05Å; H82-I85 HydrophobicContact CB-CG1 4.19Å; H82-I85 PolarHBondContact O-N 3.36Å; I85-Q87 PolarHBondContact O-N 2.93Å; I85-Y149 HydrophobicContact CD1-CD1 3.64Å; I85-Y149 HydrophobicContact CD1-CE1 3.97Å; I85-M150 HydrophobicContact CD1-CG 3.86Å; I85-M150 HydrophobicContact CD1-SD 4.45Å; I85-I175 HydrophobicContact CG1-CB 4.45Å; I85-F178 HydrophobicContact CG1-CZ 4.44Å; I85-F178 HydrophobicContact CG2-CE2 4.02Å; I85-F178 HydrophobicContact CG2-CZ 3.64Å |
| 86 | V | 96.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 123.1 | 176.3 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | L77 F88 M112 E113 I175 A176 F178 | L77-V86 HydrophobicContact CD1-CG1 3.95Å; L77-V86 WeakPolarHBondContact CD1-O 3.46Å; V86-F88 PolarHBondContact O-N 3.46Å; V86-M112 HydrophobicContact CG1-SD 4.39Å; V86-M112 HydrophobicContact CG2-CB 4.28Å; V86-M112 HydrophobicContact CG2-CG 4.22Å; V86-M112 HydrophobicContact CG2-SD 4.37Å; V86-E113 HydrophobicContact CG2-CB 3.85Å; V86-E113 WeakPolarHBondContact CG2-O 3.4Å; V86-I175 WeakPolarHBondContact CG1-O 3.26Å; V86-I175 PolarHBondContact N-O 2.88Å; V86-A176 HydrophobicContact CB-CB 4.38Å; V86-A176 HydrophobicContact CG1-CB 3.89Å; V86-F178 HydrophobicContact CG1-CE2 4.3Å |
| 87 | Q | 95.1 | Very high | 88.3 | Confident | 60 Ų | 60 | 47.7 Ų | 47.7 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -72.9 | 127.1 | -172.9 | 178.8 | 56.9 | 64.7 | 0 | 0 | 111.9 | I85 F89 M112 E113 | I85-Q87 PolarHBondContact O-N 2.93Å; Q87-F89 HydrophobicContact CB-CE1 4.39Å; Q87-F89 HydrophobicContact CG-CD1 4.24Å; Q87-F89 HydrophobicContact CG-CE1 3.98Å; Q87-M112 CarbonylContact O-C 3.15Å; Q87-M112 VanDerWaalsContact O-CA 3.26Å; Q87-M112 WeakPolarHBondContact O-CA 3.05Å; Q87-M112 WeakPolarHBondContact O-CB 3.23Å; Q87-E113 HydrophobicContact CB-CB 4.08Å; Q87-E113 PolarHBondContact N-OE2 2.71Å; Q87-E113 PolarHBondContact O-N 3.28Å |
| 88 | F | 95.3 | Very high | 86.1 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.6 | 170.7 | -174.1 | -112.3 | 0 | 0 | 0 | 112.1 | I74 L77 R78 V86 G90 S91 I110 | I74-F88 HydrophobicContact CG2-CE2 4.4Å; I74-F88 HydrophobicContact CG2-CZ 4.2Å; L77-F88 HydrophobicContact CD1-CB 4.46Å; L77-F88 HydrophobicContact CD2-CD2 3.96Å; L77-F88 HydrophobicContact CG-CB 4.04Å; L77-F88 HydrophobicContact CG-CD2 3.85Å; L77-F88 HydrophobicContact CG-CG 4.32Å; R78-F88 HydrophobicContact CB-CD1 3.79Å; R78-F88 HydrophobicContact CB-CE1 3.76Å; R78-F88 HydrophobicContact CB-CG 4.31Å; R78-F88 HydrophobicContact CB-CZ 4.25Å; R78-F88 HydrophobicContact CG-CD1 3.91Å; R78-F88 HydrophobicContact CG-CE1 3.72Å; V86-F88 PolarHBondContact O-N 3.46Å; F88-G90 WeakPolarHBondContact CE2-O 3.33Å; F88-S91 WeakPolarHBondContact CZ-OG 3.43Å; F88-I110 HydrophobicContact CD2-CG2 4.48Å; F88-I110 HydrophobicContact CE2-CG2 4.1Å |
| 89 | F | 94.3 | Very high | 83.5 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -32 | 173.6 | -62.5 | -28.4 | 0 | 0 | 0 | 113.6 | A54 Q87 C111 M112 E113 | A54-F89 HydrophobicContact CB-CD2 3.95Å; A54-F89 HydrophobicContact CB-CE2 3.93Å; Q87-F89 HydrophobicContact CB-CE1 4.39Å; Q87-F89 HydrophobicContact CG-CD1 4.24Å; Q87-F89 HydrophobicContact CG-CE1 3.98Å; F89-C111 HydrophobicContact CB-CB 4.3Å; F89-C111 PolarHBondContact N-O 3.49Å; F89-M112 VanDerWaalsContact CD2-C 3.48Å; F89-M112 WeakPolarHBondContact CD2-O 3.1Å; F89-M112 WeakPolarHBondContact CE2-O 3.35Å; F89-E113 HydrophobicContact CZ-CB 4.1Å |
| 90 | G | 93.4 | Very high | 80.8 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F88 C111 | F88-G90 WeakPolarHBondContact CE2-O 3.33Å; G90-C111 PolarHBondContact N-O 3Å; G90-C111 PolarHBondContact O-N 2.76Å |
| 91 | S | 93.9 | Very high | 78.2 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144.4 | 176.4 | 36.3 | 0 | 0 | 0 | 0 | 109.6 | F18 V19 N20 F88 W109 | F18-S91 PolarHBondContact O-OG 3.47Å; V19-S91 CarbonylContact C-O 3.58Å; V19-S91 WeakPolarHBondContact CA-O 3.42Å; N20-S91 PolarHBondContact N-O 2.71Å; F88-S91 WeakPolarHBondContact CZ-OG 3.43Å; S91-W109 CarbonylContact C-O 3.14Å; S91-W109 WeakPolarHBondContact CA-O 3.47Å |
| 92 | Y | 93 | Very high | 75.5 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.1 | -171 | -51.8 | -109.8 | 0 | 0 | 0 | 109.2 | N20 P24 E27 Y28 W109 C111 | N20-Y92 HydrophobicContact CB-CD1 3.74Å; N20-Y92 HydrophobicContact CB-CE1 3.77Å; N20-Y92 HydrophobicContact CB-CG 4.37Å; N20-Y92 VanDerWaalsContact ND2-CE1 3.3Å; N20-Y92 WeakPolarHBondContact ND2-CE1 3.33Å; P24-Y92 HydrophobicContact CB-CD1 4.09Å; P24-Y92 HydrophobicContact CB-CD2 4.23Å; P24-Y92 HydrophobicContact CB-CG 3.81Å; P24-Y92 HydrophobicContact CG-CG 4.45Å; E27-Y92 WeakPolarHBondContact OE2-CE1 2.98Å; E27-Y92 PolarHBondContact OE2-OH 2.85Å; Y28-Y92 HydrophobicContact CE2-CE1 4.5Å; Y28-Y92 AromaticContact CE2-CE2 3.69Å; Y28-Y92 HydrophobicContact CE2-CE2 3.69Å; Y28-Y92 AromaticContact CE2-CZ 3.64Å; Y28-Y92 WeakPolarHBondContact CE2-OH 3.26Å; Y28-Y92 PolarHBondContact OH-OH 3.09Å; Y92-W109 PolarHBondContact N-O 2.86Å; Y92-W109 PolarHBondContact O-N 3.27Å; Y92-C111 HydrophobicContact CE2-CB 4.37Å |
| 93 | F | 87.5 | Confident | 72.7 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.3 | 178.3 | -171.3 | -102.9 | 0 | 0 | 0 | 111.4 | L7 L12 I15 V19 V61 Y95 N106 L108 | L7-F93 HydrophobicContact CD2-CZ 4.19Å; L12-F93 HydrophobicContact CD2-CE1 4.06Å; L12-F93 HydrophobicContact CD2-CZ 4.41Å; I15-F93 HydrophobicContact CD1-CD2 4.42Å; I15-F93 HydrophobicContact CD1-CE2 3.93Å; I15-F93 HydrophobicContact CD1-CZ 4.08Å; I15-F93 HydrophobicContact CG2-CB 3.8Å; I15-F93 HydrophobicContact CG2-CD1 4.19Å; I15-F93 HydrophobicContact CG2-CD2 3.75Å; I15-F93 HydrophobicContact CG2-CE2 4.32Å; I15-F93 HydrophobicContact CG2-CG 3.66Å; V19-F93 HydrophobicContact CB-CB 4.31Å; V19-F93 HydrophobicContact CG1-CB 4.2Å; V19-F93 HydrophobicContact CG2-CB 3.86Å; V61-F93 HydrophobicContact CB-CE2 4.21Å; V61-F93 HydrophobicContact CG2-CE2 4.24Å; F93-Y95 HydrophobicContact CD1-CD2 4.01Å; F93-Y95 HydrophobicContact CD1-CE1 4.35Å; F93-Y95 AromaticContact CD1-CE2 3.68Å; F93-Y95 HydrophobicContact CD1-CE2 3.68Å; F93-Y95 HydrophobicContact CD1-CG 4.46Å; F93-Y95 AromaticContact CD1-CZ 3.87Å; F93-Y95 HydrophobicContact CE1-CD1 4.02Å; F93-Y95 HydrophobicContact CE1-CD2 4.22Å; F93-Y95 AromaticContact CE1-CE1 3.78Å; F93-Y95 HydrophobicContact CE1-CE1 3.78Å; F93-Y95 AromaticContact CE1-CE2 3.96Å; F93-Y95 HydrophobicContact CE1-CE2 3.96Å; F93-Y95 HydrophobicContact CE1-CG 4.24Å; F93-Y95 AromaticContact CE1-CZ 3.74Å; F93-N106 HydrophobicContact CE1-CB 4.39Å; F93-N106 HydrophobicContact CE2-CB 4.23Å; F93-N106 HydrophobicContact CZ-CB 3.7Å; F93-L108 HydrophobicContact CB-CD1 4.34Å; F93-L108 HydrophobicContact CD2-CB 4.05Å; F93-L108 HydrophobicContact CD2-CD1 4.02Å |
| 94 | R | 80.1 | Confident | 70.5 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.4 | 178.8 | -173.5 | 179.5 | -173.7 | 124.5 | 15 | 110.7 | D23 K107 | D23-R94 IonicContact OD1-CZ 3.79Å; D23-R94 IonicContact OD1-NH1 4Å; D23-R94 PolarHBondContact OD1-NH1 3.16Å; D23-R94 IonicContact OD2-CZ 3.99Å; D23-R94 VanDerWaalsContact OD2-CZ 3.27Å; D23-R94 IonicContact OD2-NH1 2.56Å; D23-R94 PolarHBondContact OD2-NH1 3.28Å; D23-R94 IonicContact OD2-NH2 2.76Å; D23-R94 PolarHBondContact OD2-NH2 3.24Å; R94-K107 PolarHBondContact N-O 3.36Å; R94-K107 PolarHBondContact O-N 3.09Å |
| 95 | Y | 69.5 | Low | 68.6 | Low | 73 Ų | 73 | 73.5 Ų | 73.5 | 29% | 0.286 | 35% | 0.347 | S | S | . | . | trans | -70 | 138.4 | 162.7 | -58.9 | -98.2 | 0 | 0 | 0 | 109.9 | L12 R16 F93 I97 N106 | L12-Y95 HydrophobicContact CD1-CE1 3.81Å; L12-Y95 HydrophobicContact CD2-CE1 3.72Å; L12-Y95 HydrophobicContact CG-CE1 4.38Å; R16-Y95 PolarHBondContact NE-OH 2.93Å; R16-Y95 PolarHBondContact NH2-OH 2.91Å; R16-Y95 VanDerWaalsContact NH2-OH 3.16Å; F93-Y95 HydrophobicContact CD1-CD2 4.01Å; F93-Y95 HydrophobicContact CD1-CE1 4.35Å; F93-Y95 AromaticContact CD1-CE2 3.68Å; F93-Y95 HydrophobicContact CD1-CE2 3.68Å; F93-Y95 HydrophobicContact CD1-CG 4.46Å; F93-Y95 AromaticContact CD1-CZ 3.87Å; F93-Y95 HydrophobicContact CE1-CD1 4.02Å; F93-Y95 HydrophobicContact CE1-CD2 4.22Å; F93-Y95 AromaticContact CE1-CE1 3.78Å; F93-Y95 HydrophobicContact CE1-CE1 3.78Å; F93-Y95 AromaticContact CE1-CE2 3.96Å; F93-Y95 HydrophobicContact CE1-CE2 3.96Å; F93-Y95 HydrophobicContact CE1-CG 4.24Å; F93-Y95 AromaticContact CE1-CZ 3.74Å; Y95-I97 PolarHBondContact O-N 3.31Å; Y95-N106 WeakPolarHBondContact CA-OD1 3.09Å | ||
| 96 | S | 58.7 | Low | 67.7 | Low | 34 Ų | 34 | 74.7 Ų | 74.7 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | trans | -96.8 | 85.5 | 172.7 | -165.3 | 0 | 0 | 0 | 0 | 109.9 | H98 F103 | S96-H98 PolarHBondContact O-N 3Å; S96-F103 PolarHBondContact OG-O 3.36Å | ||
| 97 | I | 48.3 | Very low | 67.2 | Low | 146 Ų | 146 | 78.3 Ų | 78.3 | 75% | 0.749 | 37% | 0.369 | S | S | * | . | trans | -95.5 | 81.5 | 178.6 | -50 | 178.4 | 0 | 0 | 0 | 109.3 | Y95 | Y95-I97 PolarHBondContact O-N 3.31Š| ||
| 98 | H | 43.3 | Very low | 67 | Low | 122 Ų | 122 | 75.7 Ų | 75.7 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | trans | -116.4 | 135.5 | 165.7 | -74.8 | -86.2 | 0 | 0 | 0 | 109.8 | S96 C100 | S96-H98 PolarHBondContact O-N 3Å; H98-C100 VanDerWaalsContact C-N 3.27Å; H98-C100 PolarHBondContact O-N 3.5Å | ||
| 99 | R | 37.2 | Very low | 66.9 | Low | 159 Ų | 159 | 75.1 Ų | 75.1 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -87.9 | 51.2 | -178.4 | -84 | -166.2 | 169.6 | 102.6 | -0.2 | 112 | C963 D965 | R99-C963 PolarHBondContact NH1-SG 3.2Å; R99-C963 VanDerWaalsContact NH1-SG 3.37Å; R99-D965 IonicContact CZ-OD1 2.7Å; R99-D965 IonicContact NE-OD1 2.62Å; R99-D965 PolarHBondContact NE-OD1 3.29Å; R99-D965 VanDerWaalsContact NE-OD1 3.15Å; R99-D965 IonicContact NH2-OD1 3.48Å; R99-D965 PolarHBondContact NH2-OD1 3.03Å; R99-D965 IonicContact NH2-OD2 3.25Å |
| 100 | C | 35.6 | Very low | 66.8 | Low | 85 Ų | 85 | 72.4 Ų | 72.4 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -156 | 157.6 | 171.1 | 37.5 | 0 | 0 | 0 | 0 | 109.1 | H98 E102 | H98-C100 VanDerWaalsContact C-N 3.27Å; H98-C100 PolarHBondContact O-N 3.5Å; C100-E102 PolarHBondContact O-N 2.92Å |
| 101 | N | 37 | Very low | 66.9 | Low | 168 Ų | 168 | 72 Ų | 72 | 90% | 0.898 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -78.7 | 22.5 | -159.4 | -82.5 | -13.1 | 0 | 0 | 0 | 116.4 | ||
| 102 | E | 36.5 | Very low | 66.9 | Low | 159 Ų | 159 | 72.7 Ų | 72.7 | 74% | 0.743 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -107.7 | 115 | 176.3 | -68.5 | -163.1 | 105 | 0 | 0 | 112.9 | C100 | C100-E102 PolarHBondContact O-N 2.92Š|
| 103 | F | 40 | Very low | 67 | Low | 149 Ų | 149 | 74.3 Ų | 74.3 | 65% | 0.654 | 35% | 0.348 | S | S | * | . | trans | 52 | 72.9 | 163.2 | -63.8 | -71.9 | 0 | 0 | 0 | 118.1 | S96 N105 | S96-F103 PolarHBondContact OG-O 3.36Å; F103-N105 WeakPolarHBondContact CD1-ND2 3.1Å; F103-N105 PolarHBondContact O-N 2.89Å | ||
| 104 | R | 50.1 | Low | 67.5 | Low | 145 Ų | 145 | 75.4 Ų | 75.4 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | trans | -68.5 | 44.1 | 161.8 | -67.6 | -174.1 | 178.2 | 174.5 | 2.1 | 114.1 | N106 | R104-N106 PolarHBondContact O-N 2.84Š| ||
| 105 | N | 58.8 | Low | 68.2 | Low | 48 Ų | 48 | 72.3 Ų | 72.3 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | trans | -76.1 | 107.8 | -178.4 | -68.5 | -24.4 | 0 | 0 | 0 | 111.1 | F103 | F103-N105 WeakPolarHBondContact CD1-ND2 3.1Å; F103-N105 PolarHBondContact O-N 2.89Å | ||
| 106 | N | 77.9 | Confident | 69.3 | Low | 26 Ų | 26 | 69.5 Ų | 69.5 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | trans | -69.7 | 132 | 170.7 | -61.8 | -59 | 0 | 0 | 0 | 110.1 | L7 V61 F93 Y95 R104 | L7-N106 WeakPolarHBondContact CD1-ND2 3.29Å; V61-N106 PolarHBondContact N-O 3.29Å; F93-N106 HydrophobicContact CE1-CB 4.39Å; F93-N106 HydrophobicContact CE2-CB 4.23Å; F93-N106 HydrophobicContact CZ-CB 3.7Å; Y95-N106 WeakPolarHBondContact CA-OD1 3.09Å; R104-N106 PolarHBondContact O-N 2.84Å | ||
| 107 | K | 86.7 | Confident | 70.8 | Confident | 77 Ų | 77 | 68 Ų | 68 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.6 | -173.4 | -68.8 | -177.4 | -178.7 | -174.9 | 0 | 111.8 | I58 I59 R94 | I58-K107 HydrophobicContact CG2-CB 4.21Å; I58-K107 HydrophobicContact CG2-CD 4.06Å; I58-K107 HydrophobicContact CG2-CG 4.32Å; I59-K107 WeakPolarHBondContact O-CA 3.29Å; R94-K107 PolarHBondContact N-O 3.36Å; R94-K107 PolarHBondContact O-N 3.09Å |
| 108 | L | 89.4 | Confident | 72.9 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.8 | 168.5 | -177 | 70.3 | 0 | 0 | 0 | 109.3 | V19 I58 I59 V61 I70 I74 F93 | V19-L108 HydrophobicContact CG1-CD1 3.57Å; I58-L108 WeakPolarHBondContact CA-O 3.45Å; I59-L108 HydrophobicContact CB-CB 4.39Å; I59-L108 PolarHBondContact N-O 2.77Å; I59-L108 PolarHBondContact O-N 2.86Å; V61-L108 HydrophobicContact CG2-CB 3.76Å; V61-L108 HydrophobicContact CG2-CD2 4.45Å; I70-L108 HydrophobicContact CG2-CD2 3.37Å; I74-L108 HydrophobicContact CD1-CD1 4.3Å; I74-L108 HydrophobicContact CD1-CD2 3.85Å; I74-L108 HydrophobicContact CD1-CG 4.36Å; F93-L108 HydrophobicContact CB-CD1 4.34Å; F93-L108 HydrophobicContact CD2-CB 4.05Å; F93-L108 HydrophobicContact CD2-CD1 4.02Å |
| 109 | W | 92.8 | Very high | 75.4 | Confident | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131 | 178.7 | -66.7 | 45.4 | 0 | 0 | 0 | 108.3 | P24 L30 V56 I58 S91 Y92 | P24-W109 HydrophobicContact CB-CD2 3.73Å; P24-W109 HydrophobicContact CB-CE3 3.45Å; P24-W109 VanDerWaalsContact CB-CE3 3.45Å; P24-W109 HydrophobicContact CB-CG 4.19Å; P24-W109 HydrophobicContact CB-CZ3 3.88Å; P24-W109 HydrophobicContact CG-CB 4.45Å; P24-W109 HydrophobicContact CG-CD2 3.45Å; P24-W109 VanDerWaalsContact CG-CD2 3.45Å; P24-W109 HydrophobicContact CG-CE3 3.69Å; P24-W109 HydrophobicContact CG-CG 3.79Å; P24-W109 HydrophobicContact CG-CH2 4.31Å; P24-W109 HydrophobicContact CG-CZ2 4.1Å; P24-W109 HydrophobicContact CG-CZ3 4.12Å; L30-W109 HydrophobicContact CD1-CH2 3.75Å; L30-W109 HydrophobicContact CD1-CZ2 4.42Å; L30-W109 HydrophobicContact CD1-CZ3 4.26Å; L30-W109 HydrophobicContact CD2-CH2 4.03Å; L30-W109 HydrophobicContact CD2-CZ3 3.67Å; L30-W109 HydrophobicContact CG-CH2 3.9Å; L30-W109 HydrophobicContact CG-CZ3 4.04Å; V56-W109 HydrophobicContact CG1-CB 4.33Å; V56-W109 HydrophobicContact CG1-CD2 4.06Å; V56-W109 HydrophobicContact CG1-CE3 3.41Å; V56-W109 VanDerWaalsContact CG1-CE3 3.41Å; V56-W109 HydrophobicContact CG1-CG 4.47Å; V56-W109 HydrophobicContact CG1-CZ3 4.07Å; I58-W109 HydrophobicContact CD1-CD2 4.03Å; I58-W109 HydrophobicContact CD1-CE3 4.29Å; I58-W109 HydrophobicContact CD1-CH2 4.14Å; I58-W109 HydrophobicContact CD1-CZ2 3.86Å; I58-W109 HydrophobicContact CD1-CZ3 4.36Å; I58-W109 HydrophobicContact CG1-CD2 4.06Å; I58-W109 HydrophobicContact CG1-CG 4.24Å; S91-W109 CarbonylContact C-O 3.14Å; S91-W109 WeakPolarHBondContact CA-O 3.47Å; Y92-W109 PolarHBondContact N-O 2.86Å; Y92-W109 PolarHBondContact O-N 3.27Å |
| 110 | I | 92.9 | Very high | 78.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 109.6 | 173.3 | -51.4 | 177 | 0 | 0 | 0 | 107.4 | V56 K57 I59 I74 L77 F88 M112 | V56-I110 WeakPolarHBondContact CA-O 3.41Å; K57-I110 HydrophobicContact CB-CB 4.31Å; K57-I110 PolarHBondContact N-O 2.9Å; K57-I110 PolarHBondContact O-N 3.23Å; I59-I110 HydrophobicContact CD1-CD1 3.83Å; I74-I110 HydrophobicContact CD1-CD1 3.96Å; I74-I110 HydrophobicContact CD1-CG1 3.96Å; I74-I110 HydrophobicContact CG1-CD1 3.63Å; I74-I110 HydrophobicContact CG1-CG1 3.94Å; L77-I110 HydrophobicContact CD2-CG2 4.07Å; F88-I110 HydrophobicContact CD2-CG2 4.48Å; F88-I110 HydrophobicContact CE2-CG2 4.1Å; I110-M112 HydrophobicContact CB-CE 4.25Å; I110-M112 HydrophobicContact CG2-CE 3.71Å |
| 111 | C | 95 | Very high | 81.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.2 | -176.5 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | Y28 A55 F89 G90 Y92 | Y28-C111 HydrophobicContact CE1-CB 3.94Å; Y28-C111 HydrophobicContact CE2-CB 4.18Å; A55-C111 WeakPolarHBondContact O-CA 3.44Å; F89-C111 HydrophobicContact CB-CB 4.3Å; F89-C111 PolarHBondContact N-O 3.49Å; G90-C111 PolarHBondContact N-O 3Å; G90-C111 PolarHBondContact O-N 2.76Å; Y92-C111 HydrophobicContact CE2-CB 4.37Å |
| 112 | M | 95.2 | Very high | 83.8 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 172.5 | -174.2 | 66.7 | -168.4 | 73.3 | 0 | 0 | 111.9 | A54 A55 K57 L77 V86 Q87 F89 I110 | A54-M112 CarbonylContact C-O 3.56Å; A54-M112 WeakPolarHBondContact CA-O 3.33Å; A55-M112 HydrophobicContact CB-CG 3.85Å; A55-M112 PolarHBondContact N-O 3.13Å; A55-M112 PolarHBondContact O-N 3.04Å; K57-M112 HydrophobicContact CB-CE 4.1Å; L77-M112 HydrophobicContact CD2-CE 4.05Å; V86-M112 HydrophobicContact CG1-SD 4.39Å; V86-M112 HydrophobicContact CG2-CB 4.28Å; V86-M112 HydrophobicContact CG2-CG 4.22Å; V86-M112 HydrophobicContact CG2-SD 4.37Å; Q87-M112 CarbonylContact O-C 3.15Å; Q87-M112 VanDerWaalsContact O-CA 3.26Å; Q87-M112 WeakPolarHBondContact O-CA 3.05Å; Q87-M112 WeakPolarHBondContact O-CB 3.23Å; F89-M112 VanDerWaalsContact CD2-C 3.48Å; F89-M112 WeakPolarHBondContact CD2-O 3.1Å; F89-M112 WeakPolarHBondContact CE2-O 3.35Å; I110-M112 HydrophobicContact CB-CE 4.25Å; I110-M112 HydrophobicContact CG2-CE 3.71Å |
| 113 | E | 95.6 | Very high | 86.5 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 133.1 | 176.6 | 173.4 | 179.4 | -158.6 | 0 | 0 | 113.3 | V86 Q87 F89 C115 K174 | V86-E113 HydrophobicContact CG2-CB 3.85Å; V86-E113 WeakPolarHBondContact CG2-O 3.4Å; Q87-E113 HydrophobicContact CB-CB 4.08Å; Q87-E113 PolarHBondContact N-OE2 2.71Å; Q87-E113 PolarHBondContact O-N 3.28Å; F89-E113 HydrophobicContact CZ-CB 4.1Å; E113-C115 PolarHBondContact O-N 2.65Å; E113-K174 WeakPolarHBondContact OE1-CE 3.45Å; E113-K174 IonicContact OE1-NZ 2.89Å; E113-K174 PolarHBondContact OE1-NZ 3.05Å; E113-K174 WeakPolarHBondContact OE2-CE 3.15Å; E113-K174 IonicContact OE2-NZ 3.24Å; E113-K174 PolarHBondContact OE2-NZ 3.24Å |
| 114 | F | 96.4 | Very high | 89.1 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | trans | -82.2 | 101.9 | 177.8 | 178.7 | -112.9 | 0 | 0 | 0 | 111.9 | I34 K44 F53 G116 | I34-F114 HydrophobicContact CD1-CD2 4.09Å; I34-F114 HydrophobicContact CD1-CE2 3.8Å; K44-F114 HydrophobicContact CB-CE2 4.08Å; K44-F114 HydrophobicContact CD-CZ 4.43Å; K44-F114 HydrophobicContact CG-CD2 4.49Å; K44-F114 HydrophobicContact CG-CE2 4.1Å; K44-F114 HydrophobicContact CG-CZ 4.22Å; F53-F114 HydrophobicContact CB-CB 3.79Å; F53-F114 HydrophobicContact CB-CD1 3.64Å; F53-F114 HydrophobicContact CB-CG 3.89Å; F53-F114 HydrophobicContact CD2-CD1 4.49Å; F53-F114 HydrophobicContact CG-CD1 4.23Å; F114-G116 VanDerWaalsContact C-N 3.3Å; F114-G116 VanDerWaalsContact CE1-CA 3.4Å; F114-G116 PolarHBondContact O-N 3.23Å | ||
| 115 | C | 95.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | trans | -80.4 | 74.5 | 175.3 | -61 | 0 | 0 | 0 | 0 | 111.1 | E113 G117 F118 L166 L167 | E113-C115 PolarHBondContact O-N 2.65Å; C115-G117 PolarHBondContact O-N 2.88Å; C115-F118 PolarHBondContact O-N 2.75Å; C115-L166 HydrophobicContact CB-CB 3.53Å; C115-L166 HydrophobicContact CB-CD1 3.77Å; C115-L166 HydrophobicContact CB-CG 4.3Å; C115-L167 CarbonylContact C-O 3.38Å; C115-L167 WeakPolarHBondContact CA-O 3.47Å; C115-L167 WeakPolarHBondContact CB-O 3.29Å | ||
| 116 | G | 92.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | F114 | F114-G116 VanDerWaalsContact C-N 3.3Å; F114-G116 VanDerWaalsContact CE1-CA 3.4Å; F114-G116 PolarHBondContact O-N 3.23Å |
| 117 | G | 91.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C115 I123 L167 | C115-G117 PolarHBondContact O-N 2.88Å; G117-I123 WeakPolarHBondContact O-CD1 3.4Å; G117-L167 VanDerWaalsContact CA-O 3.22Å; G117-L167 WeakPolarHBondContact CA-O 3.12Å; G117-L167 PolarHBondContact N-O 2.94Å |
| 118 | F | 92.3 | Very high | 93.5 | Very high | 96 Ų | 96 | 32.9 Ų | 32.9 | 42% | 0.421 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.1 | -176.2 | -173.9 | -53.9 | -85.5 | 0 | 0 | 0 | 113.7 | C115 D122 L166 L167 | C115-F118 PolarHBondContact O-N 2.75Å; F118-D122 HydrophobicContact CB-CB 3.87Å; F118-L166 WeakPolarHBondContact O-CA 3.37Å; F118-L167 PolarHBondContact O-N 2.84Å |
| 119 | S | 95.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 155.9 | 175.9 | 77.2 | 0 | 0 | 0 | 0 | 111.7 | Q121 D122 I123 A163 I165 | S119-Q121 PolarHBondContact O-N 2.58Å; S119-Q121 PolarHBondContact OG-N 3.3Å; S119-D122 VanDerWaalsContact CB-OD2 3.24Å; S119-D122 WeakPolarHBondContact CB-OD2 3.44Å; S119-D122 PolarHBondContact N-OD2 3.09Å; S119-D122 PolarHBondContact O-N 3.39Å; S119-D122 VanDerWaalsContact O-N 3.09Å; S119-D122 PolarHBondContact OG-N 2.9Å; S119-D122 PolarHBondContact OG-OD2 3.34Å; S119-I123 VanDerWaalsContact O-CG1 3.31Å; S119-I123 WeakPolarHBondContact O-CG1 3.48Å; S119-I123 PolarHBondContact O-N 3.34Å; S119-A163 VanDerWaalsContact CB-O 3.29Å; S119-A163 WeakPolarHBondContact CB-O 3.45Å; S119-I165 CarbonylContact C-O 3.53Å; S119-I165 WeakPolarHBondContact CA-O 3.46Å |
| 120 | M | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -28.4 | 172.4 | -70.2 | -68.5 | -62.2 | 0 | 0 | 111.9 | I123 Y124 I131 V139 G162 I165 L167 Y230 L309 | M120-I123 HydrophobicContact SD-CD1 4.1Å; M120-Y124 WeakPolarHBondContact O-CD1 3.41Å; M120-Y124 PolarHBondContact O-N 2.8Å; M120-I131 HydrophobicContact CE-CD1 3.4Å; M120-V139 HydrophobicContact CE-CB 4.43Å; M120-V139 HydrophobicContact CE-CG1 4.17Å; M120-V139 HydrophobicContact CE-CG2 3.87Å; M120-V139 HydrophobicContact CG-CG1 4.31Å; M120-V139 HydrophobicContact SD-CG1 4.39Å; M120-V139 HydrophobicContact SD-CG2 4.14Å; M120-G162 WeakPolarHBondContact CB-O 3.2Å; M120-G162 PolarHBondContact N-O 2.88Å; M120-G162 VanDerWaalsContact N-O 3.17Å; M120-I165 HydrophobicContact CG-CB 4.29Å; M120-I165 HydrophobicContact CG-CG2 3.88Å; M120-I165 PolarHBondContact N-O 2.8Å; M120-L167 HydrophobicContact SD-CD1 4.02Å; M120-L167 HydrophobicContact SD-CD2 4.05Å; M120-L167 HydrophobicContact SD-CG 3.97Å; M120-Y230 HydrophobicContact CB-CE1 3.54Å; M120-Y230 WeakPolarHBondContact CB-OH 3.37Å; M120-Y230 HydrophobicContact CE-CD2 4.35Å; M120-Y230 HydrophobicContact CE-CE1 4.25Å; M120-Y230 HydrophobicContact CE-CE2 4.01Å; M120-Y230 HydrophobicContact CG-CE1 4.34Å; M120-Y230 WeakPolarHBondContact CG-OH 3.05Å; M120-L309 HydrophobicContact CE-CD2 3.88Å; M120-L309 HydrophobicContact SD-CD2 4.19Å |
| 121 | Q | 95 | Very high | 93.7 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 28% | 0.276 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.6 | -43.3 | 172.4 | -178.2 | 160.2 | 107.5 | 0 | 0 | 113 | S119 I123 Y124 T125 G162 A163 E229 | S119-Q121 PolarHBondContact O-N 2.58Å; S119-Q121 PolarHBondContact OG-N 3.3Å; Q121-I123 VanDerWaalsContact C-N 3.28Å; Q121-I123 PolarHBondContact O-N 3.47Å; Q121-Y124 HydrophobicContact CB-CE1 4Å; Q121-Y124 HydrophobicContact CG-CE1 4.21Å; Q121-Y124 HydrophobicContact CG-CE2 4.38Å; Q121-Y124 PolarHBondContact NE2-OH 3.23Å; Q121-T125 WeakPolarHBondContact O-CB 3.5Å; Q121-T125 PolarHBondContact O-N 3.41Å; Q121-T125 PolarHBondContact O-OG1 2.8Å; Q121-G162 PolarHBondContact N-O 3Å; Q121-A163 HydrophobicContact CB-CB 4.15Å; Q121-E229 PolarHBondContact NE2-OE1 3.05Å |
| 122 | D | 93.3 | Very high | 93.7 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 174.1 | -57.2 | -56.1 | 0 | 0 | 0 | 110.4 | F118 S119 T125 N126 | F118-D122 HydrophobicContact CB-CB 3.87Å; S119-D122 VanDerWaalsContact CB-OD2 3.24Å; S119-D122 WeakPolarHBondContact CB-OD2 3.44Å; S119-D122 PolarHBondContact N-OD2 3.09Å; S119-D122 PolarHBondContact O-N 3.39Å; S119-D122 VanDerWaalsContact O-N 3.09Å; S119-D122 PolarHBondContact OG-N 2.9Å; S119-D122 PolarHBondContact OG-OD2 3.34Å; D122-T125 PolarHBondContact O-N 3.23Å; D122-N126 VanDerWaalsContact O-CB 3.29Å; D122-N126 WeakPolarHBondContact O-CB 3.36Å; D122-N126 PolarHBondContact O-N 2.79Å |
| 123 | I | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.8 | -56.9 | 178.4 | -68.3 | 164.6 | 0 | 0 | 0 | 111.2 | G117 S119 M120 Q121 T125 N126 I127 L167 L309 L310 N313 | G117-I123 WeakPolarHBondContact O-CD1 3.4Å; S119-I123 VanDerWaalsContact O-CG1 3.31Å; S119-I123 WeakPolarHBondContact O-CG1 3.48Å; S119-I123 PolarHBondContact O-N 3.34Å; M120-I123 HydrophobicContact SD-CD1 4.1Å; Q121-I123 VanDerWaalsContact C-N 3.28Å; Q121-I123 PolarHBondContact O-N 3.47Å; I123-T125 VanDerWaalsContact C-N 3.29Å; I123-T125 PolarHBondContact O-N 3.21Å; I123-N126 PolarHBondContact O-N 3.24Å; I123-I127 HydrophobicContact CG2-CD1 3.57Å; I123-I127 WeakPolarHBondContact O-CB 3.4Å; I123-I127 WeakPolarHBondContact O-CD1 3.41Å; I123-I127 WeakPolarHBondContact O-CG1 3.28Å; I123-I127 PolarHBondContact O-N 2.89Å; I123-L167 HydrophobicContact CD1-CB 4.45Å; I123-L167 HydrophobicContact CD1-CD1 3.54Å; I123-L167 HydrophobicContact CD1-CG 3.89Å; I123-L309 HydrophobicContact CG2-CD1 4.05Å; I123-L309 HydrophobicContact CG2-CD2 3.78Å; I123-L309 HydrophobicContact CG2-CG 3.69Å; I123-L310 HydrophobicContact CD1-CD2 4.13Å; I123-N313 HydrophobicContact CG2-CB 4.43Å |
| 124 | Y | 94 | Very high | 93.9 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -28.8 | -177.7 | 75.9 | -120.6 | 0 | 0 | 0 | 112.4 | M120 Q121 Q128 E229 Y230 L233 | M120-Y124 WeakPolarHBondContact O-CD1 3.41Å; M120-Y124 PolarHBondContact O-N 2.8Å; Q121-Y124 HydrophobicContact CB-CE1 4Å; Q121-Y124 HydrophobicContact CG-CE1 4.21Å; Q121-Y124 HydrophobicContact CG-CE2 4.38Å; Q121-Y124 PolarHBondContact NE2-OH 3.23Å; Y124-Q128 WeakPolarHBondContact O-CA 3.2Å; Y124-Q128 PolarHBondContact O-N 3.12Å; Y124-E229 HydrophobicContact CE1-CG 3.72Å; Y124-E229 WeakPolarHBondContact OH-CG 3.4Å; Y124-E229 PolarHBondContact OH-OE1 2.76Å; Y124-Y230 AromaticContact CD1-CD1 4Å; Y124-Y230 HydrophobicContact CD1-CD1 4Å; Y124-Y230 HydrophobicContact CD1-CE1 4.42Å; Y124-Y230 HydrophobicContact CE1-CD1 4.15Å; Y124-Y230 HydrophobicContact CE1-CE1 4.43Å; Y124-L233 HydrophobicContact CD2-CB 4.41Å; Y124-L233 HydrophobicContact CD2-CD2 3.58Å; Y124-L233 HydrophobicContact CE2-CB 4.48Å; Y124-L233 HydrophobicContact CE2-CD2 4.42Å; Y124-L233 VanDerWaalsContact CE2-O 3.24Å; Y124-L233 WeakPolarHBondContact CE2-O 3.13Å; Y124-L233 HydrophobicContact CG-CD2 3.97Å |
| 125 | T | 91.9 | Very high | 94 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.7 | -34.1 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | Q121 D122 I123 Q128 | Q121-T125 WeakPolarHBondContact O-CB 3.5Å; Q121-T125 PolarHBondContact O-N 3.41Å; Q121-T125 PolarHBondContact O-OG1 2.8Å; D122-T125 PolarHBondContact O-N 3.23Å; I123-T125 VanDerWaalsContact C-N 3.29Å; I123-T125 PolarHBondContact O-N 3.21Å; T125-Q128 WeakPolarHBondContact O-CG 3.48Å |
| 126 | N | 91.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -80 | -33.8 | 175.9 | -177.9 | 61.3 | 0 | 0 | 0 | 112.8 | D122 I123 N313 | D122-N126 VanDerWaalsContact O-CB 3.29Å; D122-N126 WeakPolarHBondContact O-CB 3.36Å; D122-N126 PolarHBondContact O-N 2.79Å; I123-N126 PolarHBondContact O-N 3.24Å; N126-N313 WeakPolarHBondContact CB-OD1 3.46Å; N126-N313 PolarHBondContact ND2-O 3.15Å; N126-N313 PolarHBondContact ND2-OD1 2.83Å |
| 127 | I | 91.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.2 | -26.6 | 176.8 | -58.3 | 167.2 | 0 | 0 | 0 | 111.9 | I123 R129 L309 T312 N313 | I123-I127 HydrophobicContact CG2-CD1 3.57Å; I123-I127 WeakPolarHBondContact O-CB 3.4Å; I123-I127 WeakPolarHBondContact O-CD1 3.41Å; I123-I127 WeakPolarHBondContact O-CG1 3.28Å; I123-I127 PolarHBondContact O-N 2.89Å; I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 HydrophobicContact CG2-CG 3.72Å; I127-R129 PolarHBondContact O-N 3.48Å; I127-L309 HydrophobicContact CD1-CD1 3.74Å; I127-L309 HydrophobicContact CD1-CG 4.42Å; I127-T312 HydrophobicContact CD1-CG2 3.68Å; I127-T312 HydrophobicContact CG1-CG2 3.96Å; I127-T312 HydrophobicContact CG2-CG2 3.64Å; I127-N313 HydrophobicContact CD1-CB 4.01Å; I127-N313 HydrophobicContact CG1-CB 4.25Å |
| 128 | Q | 90.5 | Very high | 94.7 | Very high | 121 Ų | 121 | 40.7 Ų | 40.7 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | trans | 58.6 | 29.1 | 177.7 | -57.6 | -177 | 6.6 | 0 | 0 | 115.4 | Y124 T125 M369 | Y124-Q128 WeakPolarHBondContact O-CA 3.2Å; Y124-Q128 PolarHBondContact O-N 3.12Å; T125-Q128 WeakPolarHBondContact O-CG 3.48Å; Q128-M369 PolarHBondContact NE2-SD 3.5Å | ||
| 129 | R | 90.6 | Very high | 95 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -144.8 | 152.1 | 176.4 | 82.5 | -156.4 | -178.8 | 156.4 | 0.8 | 112.1 | I127 T319 L323 | I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 HydrophobicContact CG2-CG 3.72Å; I127-R129 PolarHBondContact O-N 3.48Å; R129-T319 VanDerWaalsContact CZ-OG1 3.27Å; R129-T319 PolarHBondContact NH1-OG1 3.05Å; R129-T319 PolarHBondContact NH2-OG1 3.33Å; R129-L323 VanDerWaalsContact NH1-CD1 3.33Å |
| 130 | P | 93.2 | Very high | 95.2 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 41% | 0.409 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -49.7 | 145.2 | 174 | -30.2 | 37.4 | 0 | 0 | 0 | 113.5 | A231 W265 | P130-A231 WeakPolarHBondContact CB-O 3.32Å; P130-A231 WeakPolarHBondContact CG-O 3.47Å; P130-W265 HydrophobicContact CB-CH2 4.18Å; P130-W265 HydrophobicContact CB-CZ2 4.35Å |
| 131 | I | 96.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -79 | 138.8 | 177.8 | -57.3 | -172.1 | 0 | 0 | 0 | 109.4 | M120 E133 C135 I136 Y230 L309 | M120-I131 HydrophobicContact CE-CD1 3.4Å; I131-E133 PolarHBondContact O-N 3.27Å; I131-C135 HydrophobicContact CG2-CB 3.73Å; I131-I136 HydrophobicContact CB-CD1 4.24Å; I131-I136 HydrophobicContact CB-CG1 3.85Å; I131-I136 HydrophobicContact CG2-CG1 3.85Å; I131-I136 WeakPolarHBondContact O-CD1 3.13Å; I131-Y230 HydrophobicContact CD1-CD1 4.1Å; I131-Y230 HydrophobicContact CD1-CG 3.97Å; I131-Y230 PolarHBondContact N-O 3.29Å; I131-L309 HydrophobicContact CD1-CD2 4.24Å; I131-L309 HydrophobicContact CG2-CD2 4.34Å |
| 132 | E | 95.4 | Very high | 95.4 | Very high | 72 Ų | 72 | 35.3 Ų | 35.3 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -55.7 | 135.7 | 176.6 | -69 | -179.9 | 169.6 | 0 | 0 | 111.4 | N134 C135 I136 K308 | E132-N134 VanDerWaalsContact C-N 3.27Å; E132-N134 PolarHBondContact O-N 3.07Å; E132-N134 VanDerWaalsContact O-N 3.13Å; E132-C135 WeakPolarHBondContact O-CA 3.48Å; E132-C135 WeakPolarHBondContact O-CB 3.3Å; E132-C135 PolarHBondContact O-N 3.48Å; E132-I136 PolarHBondContact O-N 3.26Å; E132-K308 IonicContact OE1-NZ 3.93Å; E132-K308 PolarHBondContact OE1-NZ 3.2Å; E132-K308 IonicContact OE2-NZ 3.7Å; E132-K308 PolarHBondContact OE2-NZ 3.35Å |
| 133 | E | 97.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 16% | 0.164 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.6 | -41.7 | -173.4 | -173.8 | 179.3 | 129.9 | 0 | 0 | 113.2 | I131 C135 I136 A137 W265 S266 F269 F295 | I131-E133 PolarHBondContact O-N 3.27Å; E133-C135 VanDerWaalsContact C-N 3.29Å; E133-C135 PolarHBondContact O-N 2.86Å; E133-I136 WeakPolarHBondContact O-CB 3.36Å; E133-I136 PolarHBondContact O-N 3.08Å; E133-A137 WeakPolarHBondContact O-CB 3.32Å; E133-A137 PolarHBondContact O-N 3.21Å; E133-W265 HydrophobicContact CB-CE3 4Å; E133-W265 HydrophobicContact CB-CZ3 3.99Å; E133-W265 HydrophobicContact CG-CE3 4.28Å; E133-W265 WeakPolarHBondContact OE2-CA 3.41Å; E133-S266 WeakPolarHBondContact OE1-CB 3.22Å; E133-S266 PolarHBondContact OE1-OG 2.7Å; E133-S266 PolarHBondContact OE2-N 2.57Å; E133-F269 HydrophobicContact CG-CB 4.32Å; E133-F269 HydrophobicContact CG-CD1 3.9Å; E133-F269 HydrophobicContact CG-CG 4.33Å; E133-F295 HydrophobicContact CG-CE2 3.62Å; E133-F295 HydrophobicContact CG-CZ 4.16Å |
| 134 | N | 97.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 31.3 Ų | 31.3 | 32% | 0.321 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.4 | -34.6 | 176.1 | -73.9 | -46.7 | 0 | 0 | 0 | 112.8 | E132 F138 H300 L301 L305 | E132-N134 VanDerWaalsContact C-N 3.27Å; E132-N134 PolarHBondContact O-N 3.07Å; E132-N134 VanDerWaalsContact O-N 3.13Å; N134-F138 PolarHBondContact O-N 3.37Å; N134-H300 PolarHBondContact OD1-NE2 2.78Å; N134-L301 HydrophobicContact CB-CD2 4.22Å; N134-L301 WeakPolarHBondContact O-CD2 3.24Å; N134-L305 HydrophobicContact CB-CD1 4.17Å; N134-L305 HydrophobicContact CB-CD2 4.14Å |
| 135 | C | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.7 | -39.4 | 175.8 | -168 | 0 | 0 | 0 | 0 | 111 | I131 E132 E133 A137 F138 V139 L305 | I131-C135 HydrophobicContact CG2-CB 3.73Å; E132-C135 WeakPolarHBondContact O-CA 3.48Å; E132-C135 WeakPolarHBondContact O-CB 3.3Å; E132-C135 PolarHBondContact O-N 3.48Å; E133-C135 VanDerWaalsContact C-N 3.29Å; E133-C135 PolarHBondContact O-N 2.86Å; C135-A137 VanDerWaalsContact C-N 3.31Å; C135-A137 PolarHBondContact O-N 3.06Å; C135-F138 PolarHBondContact O-N 3.04Å; C135-V139 WeakPolarHBondContact O-CG2 3.48Å; C135-V139 PolarHBondContact O-N 3.22Å; C135-L305 HydrophobicContact CB-CB 4.32Å |
| 136 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.5 | -46.3 | 169.9 | -61.4 | -179.2 | 0 | 0 | 0 | 110.5 | I131 E132 E133 S140 A227 Y230 A231 W265 F269 F295 | I131-I136 HydrophobicContact CB-CD1 4.24Å; I131-I136 HydrophobicContact CB-CG1 3.85Å; I131-I136 HydrophobicContact CG2-CG1 3.85Å; I131-I136 WeakPolarHBondContact O-CD1 3.13Å; E132-I136 PolarHBondContact O-N 3.26Å; E133-I136 WeakPolarHBondContact O-CB 3.36Å; E133-I136 PolarHBondContact O-N 3.08Å; I136-S140 WeakPolarHBondContact O-CB 3.42Å; I136-S140 PolarHBondContact O-N 3.04Å; I136-S140 PolarHBondContact O-OG 3.29Å; I136-A227 HydrophobicContact CG2-CB 3.97Å; I136-Y230 HydrophobicContact CG1-CD2 4.32Å; I136-Y230 HydrophobicContact CG2-CD2 4.34Å; I136-A231 HydrophobicContact CD1-CB 4.09Å; I136-W265 HydrophobicContact CD1-CH2 4.36Å; I136-W265 HydrophobicContact CD1-CZ3 4.24Å; I136-F269 HydrophobicContact CD1-CE1 4.16Å; I136-F269 HydrophobicContact CD1-CZ 4.23Å; I136-F269 HydrophobicContact CG2-CE2 4.2Å; I136-F269 HydrophobicContact CG2-CZ 3.9Å; I136-F295 HydrophobicContact CG2-CE1 4.45Å; I136-F295 HydrophobicContact CG2-CZ 4.2Å |
| 137 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E133 C135 S140 R141 F295 L301 | E133-A137 WeakPolarHBondContact O-CB 3.32Å; E133-A137 PolarHBondContact O-N 3.21Å; C135-A137 VanDerWaalsContact C-N 3.31Å; C135-A137 PolarHBondContact O-N 3.06Å; A137-S140 PolarHBondContact O-N 2.98Å; A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 3.06Å; A137-F295 HydrophobicContact CB-CD1 4.21Å; A137-F295 HydrophobicContact CB-CD2 4.27Å; A137-F295 HydrophobicContact CB-CE1 3.85Å; A137-F295 HydrophobicContact CB-CE2 3.9Å; A137-F295 HydrophobicContact CB-CG 4.42Å; A137-F295 HydrophobicContact CB-CZ 3.69Å; A137-F295 WeakPolarHBondContact CB-O 3.48Å; A137-L301 HydrophobicContact CB-CD1 3.89Å; A137-L301 HydrophobicContact CB-CD2 3.78Å |
| 138 | F | 98.4 | Very high | 97 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 4% | 0.044 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -51 | 176.3 | 175.5 | -99.3 | 0 | 0 | 0 | 111.7 | N134 C135 S140 R141 E142 V173 L301 R303 L305 T306 | N134-F138 PolarHBondContact O-N 3.37Å; C135-F138 PolarHBondContact O-N 3.04Å; F138-S140 VanDerWaalsContact C-N 3.28Å; F138-S140 PolarHBondContact O-N 2.9Å; F138-R141 VanDerWaalsContact CE2-NH2 3.33Å; F138-R141 WeakPolarHBondContact O-CB 2.96Å; F138-R141 PolarHBondContact O-N 2.94Å; F138-R141 VanDerWaalsContact O-N 3.13Å; F138-E142 HydrophobicContact CD1-CG 4.42Å; F138-E142 HydrophobicContact CD2-CG 4.33Å; F138-E142 HydrophobicContact CE1-CG 4.01Å; F138-E142 HydrophobicContact CE2-CG 3.91Å; F138-E142 HydrophobicContact CZ-CG 3.73Å; F138-E142 WeakPolarHBondContact O-CG 3.45Å; F138-E142 PolarHBondContact O-N 3.17Å; F138-V173 HydrophobicContact CD1-CG2 4.33Å; F138-V173 HydrophobicContact CE1-CG2 3.86Å; F138-L301 HydrophobicContact CB-CB 4.3Å; F138-L301 HydrophobicContact CB-CD2 4.36Å; F138-L301 HydrophobicContact CD2-CB 4.26Å; F138-R303 HydrophobicContact CZ-CB 4.14Å; F138-R303 HydrophobicContact CZ-CG 4.43Å; F138-L305 HydrophobicContact CB-CD1 3.97Å; F138-T306 HydrophobicContact CD1-CG2 3.77Å; F138-T306 HydrophobicContact CE1-CG2 3.78Å; F138-T306 WeakPolarHBondContact CE1-OG1 3.27Å |
| 139 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 111 | M120 C135 E142 T143 I165 V173 Y230 T306 | M120-V139 HydrophobicContact CE-CB 4.43Å; M120-V139 HydrophobicContact CE-CG1 4.17Å; M120-V139 HydrophobicContact CE-CG2 3.87Å; M120-V139 HydrophobicContact CG-CG1 4.31Å; M120-V139 HydrophobicContact SD-CG1 4.39Å; M120-V139 HydrophobicContact SD-CG2 4.14Å; C135-V139 WeakPolarHBondContact O-CG2 3.48Å; C135-V139 PolarHBondContact O-N 3.22Å; V139-E142 PolarHBondContact O-N 3.24Å; V139-T143 VanDerWaalsContact O-CB 3.27Å; V139-T143 WeakPolarHBondContact O-CB 3.46Å; V139-T143 PolarHBondContact O-N 3.39Å; V139-T143 PolarHBondContact O-OG1 3.38Å; V139-I165 HydrophobicContact CG1-CG2 3.99Å; V139-V173 HydrophobicContact CG1-CG1 4.05Å; V139-V173 HydrophobicContact CG2-CG2 4.09Å; V139-Y230 HydrophobicContact CB-CE2 4.41Å; V139-Y230 HydrophobicContact CG1-CE2 3.78Å; V139-T306 HydrophobicContact CG2-CG2 3.79Å |
| 140 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | I136 A137 F138 L144 | I136-S140 WeakPolarHBondContact O-CB 3.42Å; I136-S140 PolarHBondContact O-N 3.04Å; I136-S140 PolarHBondContact O-OG 3.29Å; A137-S140 PolarHBondContact O-N 2.98Å; F138-S140 VanDerWaalsContact C-N 3.28Å; F138-S140 PolarHBondContact O-N 2.9Å; S140-L144 WeakPolarHBondContact O-CB 3.4Å; S140-L144 VanDerWaalsContact O-CG 3.32Å; S140-L144 WeakPolarHBondContact O-CG 3.2Å; S140-L144 PolarHBondContact O-N 3.31Å |
| 141 | R | 98.5 | Very high | 97.5 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 14% | 0.136 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 176.1 | -169.5 | -174 | 72.5 | -159 | -8.1 | 112 | A137 F138 T143 L144 R145 L291 V296 L301 | A137-R141 WeakPolarHBondContact O-CB 3.35Å; A137-R141 PolarHBondContact O-N 3.06Å; F138-R141 VanDerWaalsContact CE2-NH2 3.33Å; F138-R141 WeakPolarHBondContact O-CB 2.96Å; F138-R141 PolarHBondContact O-N 2.94Å; F138-R141 VanDerWaalsContact O-N 3.13Å; R141-T143 VanDerWaalsContact C-N 3.35Å; R141-L144 PolarHBondContact O-N 3.2Å; R141-R145 WeakPolarHBondContact O-CG 3.31Å; R141-R145 PolarHBondContact O-N 3.26Å; R141-L291 HydrophobicContact CG-CD2 4.13Å; R141-V296 HydrophobicContact CB-CB 3.94Å; R141-V296 HydrophobicContact CB-CG1 4.28Å; R141-V296 WeakPolarHBondContact CD-O 3.34Å; R141-V296 HydrophobicContact CG-CB 4.21Å; R141-L301 VanDerWaalsContact CZ-O 3.28Å; R141-L301 PolarHBondContact NH1-O 2.68Å; R141-L301 PolarHBondContact NH2-O 2.9Å |
| 142 | E | 98.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | -179.1 | -62.1 | -41.1 | 127.9 | 0 | 0 | 111.7 | N84 F138 V139 R145 G146 V173 | N84-E142 VanDerWaalsContact CB-O 3.25Å; N84-E142 WeakPolarHBondContact CB-O 3.4Å; N84-E142 PolarHBondContact ND2-OE2 3.44Å; N84-E142 PolarHBondContact OD1-O 2.74Å; F138-E142 HydrophobicContact CD1-CG 4.42Å; F138-E142 HydrophobicContact CD2-CG 4.33Å; F138-E142 HydrophobicContact CE1-CG 4.01Å; F138-E142 HydrophobicContact CE2-CG 3.91Å; F138-E142 HydrophobicContact CZ-CG 3.73Å; F138-E142 WeakPolarHBondContact O-CG 3.45Å; F138-E142 PolarHBondContact O-N 3.17Å; V139-E142 PolarHBondContact O-N 3.24Å; E142-R145 PolarHBondContact O-N 2.84Å; E142-R145 IonicContact OE1-CZ 3.56Å; E142-R145 IonicContact OE1-NH1 2.91Å; E142-R145 PolarHBondContact OE1-NH1 3.13Å; E142-R145 WeakPolarHBondContact OE2-CD 3.5Å; E142-R145 IonicContact OE2-CZ 3.85Å; E142-R145 IonicContact OE2-NE 2.92Å; E142-R145 IonicContact OE2-NH1 3.6Å; E142-R145 PolarHBondContact OE2-NH1 3.26Å; E142-G146 PolarHBondContact O-N 3.04Å; E142-V173 HydrophobicContact CB-CB 3.64Å; E142-V173 HydrophobicContact CB-CG1 4.1Å; E142-V173 HydrophobicContact CB-CG2 3.91Å; E142-V173 HydrophobicContact CG-CB 4.29Å; E142-V173 HydrophobicContact CG-CG2 4.11Å |
| 143 | T | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 171.8 | -53.8 | 0 | 0 | 0 | 0 | 111 | V139 R141 R145 G146 I147 I160 I165 I175 L223 | V139-T143 VanDerWaalsContact O-CB 3.27Å; V139-T143 WeakPolarHBondContact O-CB 3.46Å; V139-T143 PolarHBondContact O-N 3.39Å; V139-T143 PolarHBondContact O-OG1 3.38Å; R141-T143 VanDerWaalsContact C-N 3.35Å; T143-R145 VanDerWaalsContact C-N 3.3Å; T143-R145 PolarHBondContact O-N 3.4Å; T143-G146 PolarHBondContact O-N 3.45Å; T143-G146 VanDerWaalsContact O-N 3.12Å; T143-I147 HydrophobicContact CG2-CD1 3.88Å; T143-I147 HydrophobicContact CG2-CG1 4.34Å; T143-I147 WeakPolarHBondContact O-CG1 3.23Å; T143-I147 PolarHBondContact O-N 3.25Å; T143-I160 HydrophobicContact CG2-CG2 4.35Å; T143-I165 HydrophobicContact CG2-CD1 3.81Å; T143-I165 HydrophobicContact CG2-CG1 4.23Å; T143-I175 HydrophobicContact CG2-CD1 3.98Å; T143-I175 HydrophobicContact CG2-CG1 4.16Å; T143-L223 HydrophobicContact CG2-CD1 3.96Å |
| 144 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 175.3 | -82.9 | 170.9 | 0 | 0 | 0 | 113.2 | S140 R141 I147 E148 L223 F272 A287 L290 L291 V296 | S140-L144 WeakPolarHBondContact O-CB 3.4Å; S140-L144 VanDerWaalsContact O-CG 3.32Å; S140-L144 WeakPolarHBondContact O-CG 3.2Å; S140-L144 PolarHBondContact O-N 3.31Å; R141-L144 PolarHBondContact O-N 3.2Å; L144-I147 PolarHBondContact O-N 3.05Å; L144-E148 VanDerWaalsContact O-CB 3.23Å; L144-E148 WeakPolarHBondContact O-CB 3.25Å; L144-E148 PolarHBondContact O-N 3.41Å; L144-L223 HydrophobicContact CD1-CD2 4.17Å; L144-L223 HydrophobicContact CD2-CD2 3.66Å; L144-L223 HydrophobicContact CG-CD2 3.46Å; L144-L223 VanDerWaalsContact CG-CD2 3.46Å; L144-F272 HydrophobicContact CD1-CE2 4.09Å; L144-F272 HydrophobicContact CD1-CZ 4.37Å; L144-A287 HydrophobicContact CD2-CB 3.97Å; L144-L290 HydrophobicContact CD1-CB 4.24Å; L144-L290 HydrophobicContact CD1-CD2 4.16Å; L144-L290 HydrophobicContact CD1-CG 4.02Å; L144-L290 HydrophobicContact CD2-CB 4.38Å; L144-L290 HydrophobicContact CD2-CD2 4.18Å; L144-L291 HydrophobicContact CB-CD2 3.48Å; L144-L291 VanDerWaalsContact CB-CD2 3.48Å; L144-L291 HydrophobicContact CB-CG 3.8Å; L144-L291 HydrophobicContact CD1-CD2 4.28Å; L144-L291 HydrophobicContact CD1-CG 4.46Å; L144-V296 HydrophobicContact CD1-CG1 4.4Å; L144-V296 HydrophobicContact CD1-CG2 4.39Å |
| 145 | R | 98.4 | Very high | 96.4 | Very high | 99 Ų | 99 | 23.7 Ų | 23.7 | 37% | 0.374 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 174 | -69.1 | 169.6 | 171 | 176.2 | -6.8 | 111.8 | N84 R141 E142 T143 E148 Y149 L291 | N84-R145 WeakPolarHBondContact OD1-CB 3.41Å; R141-R145 WeakPolarHBondContact O-CG 3.31Å; R141-R145 PolarHBondContact O-N 3.26Å; E142-R145 PolarHBondContact O-N 2.84Å; E142-R145 IonicContact OE1-CZ 3.56Å; E142-R145 IonicContact OE1-NH1 2.91Å; E142-R145 PolarHBondContact OE1-NH1 3.13Å; E142-R145 WeakPolarHBondContact OE2-CD 3.5Å; E142-R145 IonicContact OE2-CZ 3.85Å; E142-R145 IonicContact OE2-NE 2.92Å; E142-R145 IonicContact OE2-NH1 3.6Å; E142-R145 PolarHBondContact OE2-NH1 3.26Å; T143-R145 VanDerWaalsContact C-N 3.3Å; T143-R145 PolarHBondContact O-N 3.4Å; R145-E148 PolarHBondContact O-N 2.84Å; R145-Y149 WeakPolarHBondContact O-CB 3.31Å; R145-Y149 PolarHBondContact O-N 3.3Å; R145-Y149 VanDerWaalsContact O-N 3.09Å; R145-L291 HydrophobicContact CG-CD1 4.39Å; R145-L291 HydrophobicContact CG-CD2 3.99Å |
| 146 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | E142 T143 Y149 M150 | E142-G146 PolarHBondContact O-N 3.04Å; T143-G146 PolarHBondContact O-N 3.45Å; T143-G146 VanDerWaalsContact O-N 3.12Å; G146-Y149 PolarHBondContact O-N 3.24Å; G146-M150 WeakPolarHBondContact O-CG 3.34Å; G146-M150 PolarHBondContact O-N 3.23Å |
| 147 | I | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 176 | -66.6 | 171.6 | 0 | 0 | 0 | 110.8 | T143 L144 Y149 M150 H151 I160 I175 D219 L223 A287 | T143-I147 HydrophobicContact CG2-CD1 3.88Å; T143-I147 HydrophobicContact CG2-CG1 4.34Å; T143-I147 WeakPolarHBondContact O-CG1 3.23Å; T143-I147 PolarHBondContact O-N 3.25Å; L144-I147 PolarHBondContact O-N 3.05Å; I147-Y149 VanDerWaalsContact C-N 3.32Å; I147-Y149 PolarHBondContact O-N 3.17Å; I147-M150 WeakPolarHBondContact O-CB 3.25Å; I147-M150 PolarHBondContact O-N 3.41Å; I147-M150 VanDerWaalsContact O-N 3.08Å; I147-H151 WeakPolarHBondContact CG2-CE1 3.23Å; I147-H151 VanDerWaalsContact CG2-NE2 3.31Å; I147-H151 WeakPolarHBondContact CG2-NE2 3.26Å; I147-H151 WeakPolarHBondContact O-CB 3.42Å; I147-H151 PolarHBondContact O-CD2 2.86Å; I147-H151 VanDerWaalsContact O-CD2 3.27Å; I147-H151 VanDerWaalsContact O-CG 3.23Å; I147-H151 PolarHBondContact O-N 3.15Å; I147-I160 HydrophobicContact CD1-CD1 4.07Å; I147-I160 HydrophobicContact CD1-CG1 4.04Å; I147-I160 HydrophobicContact CD1-CG2 4.5Å; I147-I160 HydrophobicContact CG1-CD1 4.08Å; I147-I160 HydrophobicContact CG1-CG1 4.44Å; I147-I175 HydrophobicContact CG1-CD1 3.97Å; I147-D219 HydrophobicContact CD1-CB 4.33Å; I147-D219 HydrophobicContact CG2-CB 3.96Å; I147-L223 HydrophobicContact CD1-CB 4.45Å; I147-L223 HydrophobicContact CD1-CD2 4.47Å; I147-A287 HydrophobicContact CB-CB 4.33Å; I147-A287 HydrophobicContact CG2-CB 3.77Å |
| 148 | E | 97.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 25.2 Ų | 25.2 | 12% | 0.121 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 179.9 | -160.6 | -118.3 | -172.5 | 0 | 0 | 112.1 | L144 R145 K152 A287 Q288 L291 | L144-E148 VanDerWaalsContact O-CB 3.23Å; L144-E148 WeakPolarHBondContact O-CB 3.25Å; L144-E148 PolarHBondContact O-N 3.41Å; R145-E148 PolarHBondContact O-N 2.84Å; E148-K152 WeakPolarHBondContact O-CB 3.42Å; E148-K152 WeakPolarHBondContact O-CG 3.4Å; E148-K152 PolarHBondContact O-N 3.42Å; E148-K152 WeakPolarHBondContact OE1-CE 3.39Å; E148-K152 IonicContact OE1-NZ 3.66Å; E148-K152 PolarHBondContact OE1-NZ 2.97Å; E148-K152 WeakPolarHBondContact OE2-CE 3.46Å; E148-K152 IonicContact OE2-NZ 2.66Å; E148-K152 PolarHBondContact OE2-NZ 2.8Å; E148-A287 HydrophobicContact CB-CB 4Å; E148-A287 HydrophobicContact CG-CB 4.38Å; E148-Q288 HydrophobicContact CG-CB 3.7Å; E148-Q288 WeakPolarHBondContact OE1-CB 3.42Å; E148-Q288 WeakPolarHBondContact OE1-CG 2.96Å; E148-Q288 PolarHBondContact OE1-NE2 3.08Å; E148-Q288 PolarHBondContact OE1-OE1 3.04Å; E148-L291 HydrophobicContact CB-CD1 4.05Å; E148-L291 HydrophobicContact CG-CD1 4.09Å |
| 149 | Y | 97.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 25.3 Ų | 25.3 | 24% | 0.239 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 171.2 | 171 | -87.8 | 0 | 0 | 0 | 112.3 | C80 R81 H82 I85 R145 G146 I147 K152 A153 | C80-Y149 HydrophobicContact CB-CE1 4.1Å; R81-Y149 PolarHBondContact N-OH 3.04Å; R81-Y149 WeakPolarHBondContact O-CE2 3.47Å; R81-Y149 PolarHBondContact O-OH 2.91Å; H82-Y149 HydrophobicContact CB-CD1 3.73Å; H82-Y149 HydrophobicContact CB-CD2 3.98Å; H82-Y149 HydrophobicContact CB-CE1 4Å; H82-Y149 HydrophobicContact CB-CE2 4.21Å; H82-Y149 HydrophobicContact CB-CG 3.73Å; H82-Y149 AromaticContact CD2-CD2 3.76Å; H82-Y149 AromaticContact CD2-CG 3.85Å; H82-Y149 AromaticContact CG-CG 3.77Å; I85-Y149 HydrophobicContact CD1-CD1 3.64Å; I85-Y149 HydrophobicContact CD1-CE1 3.97Å; R145-Y149 WeakPolarHBondContact O-CB 3.31Å; R145-Y149 PolarHBondContact O-N 3.3Å; R145-Y149 VanDerWaalsContact O-N 3.09Å; G146-Y149 PolarHBondContact O-N 3.24Å; I147-Y149 VanDerWaalsContact C-N 3.32Å; I147-Y149 PolarHBondContact O-N 3.17Å; Y149-K152 PolarHBondContact O-N 2.87Å; Y149-A153 WeakPolarHBondContact O-CB 3.38Å; Y149-A153 PolarHBondContact O-N 3.25Å |
| 150 | M | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.2 | -72.3 | -177 | 66.7 | 0 | 0 | 112 | I85 G146 I147 K152 A153 G154 K155 H157 F178 | I85-M150 HydrophobicContact CD1-CG 3.86Å; I85-M150 HydrophobicContact CD1-SD 4.45Å; G146-M150 WeakPolarHBondContact O-CG 3.34Å; G146-M150 PolarHBondContact O-N 3.23Å; I147-M150 WeakPolarHBondContact O-CB 3.25Å; I147-M150 PolarHBondContact O-N 3.41Å; I147-M150 VanDerWaalsContact O-N 3.08Å; M150-K152 PolarHBondContact O-N 2.88Å; M150-A153 CarbonylContact O-C 3.55Å; M150-A153 WeakPolarHBondContact O-CA 3.46Å; M150-A153 WeakPolarHBondContact O-CB 3.45Å; M150-A153 PolarHBondContact O-N 3.46Å; M150-G154 PolarHBondContact O-N 2.68Å; M150-K155 CarbonylContact C-O 3.57Å; M150-K155 HydrophobicContact CB-CB 4.29Å; M150-K155 HydrophobicContact CE-CB 4.19Å; M150-K155 WeakPolarHBondContact O-CB 3.48Å; M150-K155 PolarHBondContact O-N 2.95Å; M150-H157 HydrophobicContact CE-CB 3.83Å; M150-H157 HydrophobicContact SD-CB 4.11Å; M150-F178 HydrophobicContact CE-CD1 4.02Å; M150-F178 HydrophobicContact CE-CE1 3.73Å; M150-F178 HydrophobicContact SD-CE1 3.72Å |
| 151 | H | 94.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | -178.7 | -67.9 | -171.8 | 0 | 0 | 0 | 110.6 | I147 A153 G154 K155 E216 D219 | I147-H151 WeakPolarHBondContact CG2-CE1 3.23Å; I147-H151 VanDerWaalsContact CG2-NE2 3.31Å; I147-H151 WeakPolarHBondContact CG2-NE2 3.26Å; I147-H151 WeakPolarHBondContact O-CB 3.42Å; I147-H151 PolarHBondContact O-CD2 2.86Å; I147-H151 VanDerWaalsContact O-CD2 3.27Å; I147-H151 VanDerWaalsContact O-CG 3.23Å; I147-H151 PolarHBondContact O-N 3.15Å; H151-A153 VanDerWaalsContact C-N 3.29Å; H151-A153 PolarHBondContact O-N 2.84Å; H151-G154 PolarHBondContact O-N 3.47Å; H151-K155 PolarHBondContact CD2-O 3.41Å; H151-E216 HydrophobicContact CB-CG 4.1Å; H151-E216 PolarHBondContact CE1-O 3.08Å; H151-E216 WeakPolarHBondContact ND1-CG 3.32Å; H151-E216 PolarHBondContact NE2-O 2.75Å; H151-D219 IonicContact CD2-OD2 2.6Å; H151-D219 IonicContact CE1-OD2 2.65Å; H151-D219 IonicContact NE2-OD2 3.62Å; H151-D219 PolarHBondContact NE2-OD2 2.84Å |
| 152 | K | 93.8 | Very high | 94.5 | Very high | 148 Ų | 148 | 25.1 Ų | 25.1 | 64% | 0.643 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -59.4 | -35.7 | 170.1 | -76.3 | 171.2 | 176.5 | 165.9 | 0 | 113.4 | E148 Y149 M150 G154 | E148-K152 WeakPolarHBondContact O-CB 3.42Å; E148-K152 WeakPolarHBondContact O-CG 3.4Å; E148-K152 PolarHBondContact O-N 3.42Å; E148-K152 WeakPolarHBondContact OE1-CE 3.39Å; E148-K152 IonicContact OE1-NZ 3.66Å; E148-K152 PolarHBondContact OE1-NZ 2.97Å; E148-K152 WeakPolarHBondContact OE2-CE 3.46Å; E148-K152 IonicContact OE2-NZ 2.66Å; E148-K152 PolarHBondContact OE2-NZ 2.8Å; Y149-K152 PolarHBondContact O-N 2.87Å; M150-K152 PolarHBondContact O-N 2.88Å; K152-G154 PolarHBondContact O-N 3.17Å |
| 153 | A | 90.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 25.9 Ų | 25.9 | 37% | 0.372 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 8.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y149 M150 H151 K155 | Y149-A153 WeakPolarHBondContact O-CB 3.38Å; Y149-A153 PolarHBondContact O-N 3.25Å; M150-A153 CarbonylContact O-C 3.55Å; M150-A153 WeakPolarHBondContact O-CA 3.46Å; M150-A153 WeakPolarHBondContact O-CB 3.45Å; M150-A153 PolarHBondContact O-N 3.46Å; H151-A153 VanDerWaalsContact C-N 3.29Å; H151-A153 PolarHBondContact O-N 2.84Å; A153-K155 HydrophobicContact CB-CD 4.35Å |
| 154 | G | 87.2 | Confident | 94 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 23% | 0.227 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 31 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M150 H151 K152 Q183 I184 | M150-G154 PolarHBondContact O-N 2.68Å; H151-G154 PolarHBondContact O-N 3.47Å; K152-G154 PolarHBondContact O-N 3.17Å; G154-Q183 CarbonylContact O-C 3.6Å; G154-Q183 WeakPolarHBondContact O-CA 3.38Å; G154-I184 WeakPolarHBondContact O-CG1 3.48Å; G154-I184 PolarHBondContact O-N 3.19Å |
| 155 | K | 90.2 | Very high | 94 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.9 | -174.6 | -70.8 | 166.9 | 171.1 | 176.5 | 0 | 112.4 | T76 E79 M150 H151 A153 A182 | T76-K155 HydrophobicContact CG2-CD 4.1Å; T76-K155 PolarHBondContact O-NZ 3.32Å; E79-K155 VanDerWaalsContact OE2-CE 3.29Å; E79-K155 WeakPolarHBondContact OE2-CE 3.3Å; E79-K155 IonicContact OE2-NZ 3.68Å; E79-K155 PolarHBondContact OE2-NZ 3.28Å; M150-K155 CarbonylContact C-O 3.57Å; M150-K155 HydrophobicContact CB-CB 4.29Å; M150-K155 HydrophobicContact CE-CB 4.19Å; M150-K155 WeakPolarHBondContact O-CB 3.48Å; M150-K155 PolarHBondContact O-N 2.95Å; H151-K155 PolarHBondContact CD2-O 3.41Å; A153-K155 HydrophobicContact CB-CD 4.35Å; K155-A182 VanDerWaalsContact CA-O 3.24Å; K155-A182 WeakPolarHBondContact CA-O 3.45Å |
| 156 | I | 90.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.3 | 175.8 | -43.2 | 177.4 | 0 | 0 | 0 | 108.3 | R158 A181 A182 I184 E216 C218 D219 | I156-R158 HydrophobicContact CB-CG 4.01Å; I156-R158 HydrophobicContact CG2-CG 3.64Å; I156-A181 CarbonylContact O-C 3.38Å; I156-A181 VanDerWaalsContact O-CA 3.3Å; I156-A181 WeakPolarHBondContact O-CA 3.08Å; I156-A182 HydrophobicContact CB-CB 4.17Å; I156-A182 HydrophobicContact CD1-CB 4.4Å; I156-A182 HydrophobicContact CG1-CB 4.37Å; I156-A182 PolarHBondContact N-O 3.21Å; I156-A182 PolarHBondContact O-N 2.94Å; I156-I184 HydrophobicContact CD1-CG1 4Å; I156-I184 HydrophobicContact CG1-CD1 4.08Å; I156-I184 HydrophobicContact CG1-CG1 3.74Å; I156-E216 HydrophobicContact CD1-CB 4.31Å; I156-E216 HydrophobicContact CG1-CB 3.94Å; I156-C218 VanDerWaalsContact CG2-SG 3.57Å; I156-D219 VanDerWaalsContact CG2-OD2 3.28Å; I156-D219 WeakPolarHBondContact CG2-OD2 3.34Å |
| 157 | H | 91.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -77.7 | -42.4 | -179.4 | -162.6 | -93.9 | 0 | 0 | 0 | 112.5 | M150 D159 I160 I175 A176 F178 D219 | M150-H157 HydrophobicContact CE-CB 3.83Å; M150-H157 HydrophobicContact SD-CB 4.11Å; H157-D159 PolarHBondContact ND1-O 3.19Å; H157-D159 PolarHBondContact O-N 3.02Å; H157-D159 VanDerWaalsContact O-N 3.11Å; H157-I160 HydrophobicContact CB-CD1 3.78Å; H157-I160 HydrophobicContact CB-CG1 3.98Å; H157-I175 WeakPolarHBondContact NE2-CG2 3.48Å; H157-A176 PolarHBondContact CE1-O 3.34Å; H157-A176 VanDerWaalsContact CE1-O 3.29Å; H157-A176 PolarHBondContact NE2-O 3.41Å; H157-F178 AromaticContact CD2-CD1 3.79Å; H157-F178 AromaticContact CD2-CE1 3.64Å; H157-F178 AromaticContact NE2-CD1 4Å; H157-F178 AromaticContact NE2-CE1 3.96Å; H157-D219 WeakPolarHBondContact CB-OD1 3.48Å; H157-D219 PolarHBondContact N-OD1 3.5Å; H157-D219 PolarHBondContact N-OD2 3.38Å | ||
| 158 | R | 88.3 | Confident | 93.8 | Very high | 35 Ų | 35 | 24 Ų | 24 | 13% | 0.132 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 66.7 | -5.9 | 178.2 | -53.1 | -164.9 | -71.6 | -172.9 | -6.8 | 116.8 | I156 V180 A181 Y214 D219 | I156-R158 HydrophobicContact CB-CG 4.01Å; I156-R158 HydrophobicContact CG2-CG 3.64Å; R158-V180 PolarHBondContact NE-O 3.43Å; R158-V180 PolarHBondContact NH2-O 3.42Å; R158-A181 PolarHBondContact NH2-O 2.68Å; R158-A181 VanDerWaalsContact NH2-O 3.07Å; R158-Y214 WeakPolarHBondContact CD-OH 3.36Å; R158-Y214 HydrophobicContact CG-CE2 4.27Å; R158-Y214 PolarHBondContact NH1-OH 3.48Å; R158-D219 PolarHBondContact N-OD1 3.27Å |
| 159 | D | 90.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | trans | -144.5 | 52.2 | 178.6 | -159 | 48.1 | 0 | 0 | 0 | 111.9 | H157 K161 N164 V180 T197 | H157-D159 PolarHBondContact ND1-O 3.19Å; H157-D159 PolarHBondContact O-N 3.02Å; H157-D159 VanDerWaalsContact O-N 3.11Å; D159-K161 PolarHBondContact O-N 3.11Å; D159-K161 IonicContact OD1-NZ 2.68Å; D159-K161 WeakPolarHBondContact OD2-CE 3.3Å; D159-K161 IonicContact OD2-NZ 3.75Å; D159-K161 PolarHBondContact OD2-NZ 3.18Å; D159-N164 PolarHBondContact O-ND2 3.13Å; D159-N164 PolarHBondContact OD2-ND2 2.88Å; D159-V180 HydrophobicContact CB-CG2 3.57Å; D159-T197 VanDerWaalsContact OD1-CB 3.25Å; D159-T197 WeakPolarHBondContact OD1-CB 3.37Å; D159-T197 PolarHBondContact OD1-N 3.32Å; D159-T197 PolarHBondContact OD1-OG1 2.79Å | ||
| 160 | I | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -73.7 | 119.9 | 170.1 | -61.4 | -67.3 | 0 | 0 | 0 | 108.6 | T143 I147 H157 I165 I175 D219 A222 L223 T226 | T143-I160 HydrophobicContact CG2-CG2 4.35Å; I147-I160 HydrophobicContact CD1-CD1 4.07Å; I147-I160 HydrophobicContact CD1-CG1 4.04Å; I147-I160 HydrophobicContact CD1-CG2 4.5Å; I147-I160 HydrophobicContact CG1-CD1 4.08Å; I147-I160 HydrophobicContact CG1-CG1 4.44Å; H157-I160 HydrophobicContact CB-CD1 3.78Å; H157-I160 HydrophobicContact CB-CG1 3.98Å; I160-I165 HydrophobicContact CG2-CD1 4.21Å; I160-I175 HydrophobicContact CD1-CD1 4.25Å; I160-I175 HydrophobicContact CD1-CG2 4.13Å; I160-D219 HydrophobicContact CG1-CB 4.21Å; I160-A222 HydrophobicContact CB-CB 3.92Å; I160-L223 HydrophobicContact CG2-CB 4.25Å; I160-L223 HydrophobicContact CG2-CD1 4.47Å; I160-T226 PolarHBondContact O-OG1 3.19Å | ||
| 161 | K | 95.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 14% | 0.143 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -162.4 | 165.7 | -179.5 | 68 | -161.4 | -169.1 | -156.5 | 0 | 110.4 | D159 A163 N164 I165 T197 W200 T226 | D159-K161 PolarHBondContact O-N 3.11Å; D159-K161 IonicContact OD1-NZ 2.68Å; D159-K161 WeakPolarHBondContact OD2-CE 3.3Å; D159-K161 IonicContact OD2-NZ 3.75Å; D159-K161 PolarHBondContact OD2-NZ 3.18Å; K161-A163 HydrophobicContact CG-CB 4.24Å; K161-A163 PolarHBondContact O-N 2.82Å; K161-A163 VanDerWaalsContact O-N 3.14Å; K161-N164 WeakPolarHBondContact CE-OD1 3.24Å; K161-N164 HydrophobicContact CG-CB 4.14Å; K161-N164 PolarHBondContact O-N 3.31Å; K161-I165 PolarHBondContact O-N 3.13Å; K161-T197 PolarHBondContact NZ-OG1 3.4Å; K161-W200 HydrophobicContact CB-CD2 3.92Å; K161-W200 HydrophobicContact CB-CG 4.02Å; K161-W200 HydrophobicContact CB-CZ2 4.07Å; K161-T226 WeakPolarHBondContact CA-OG1 3.47Å |
| 162 | G | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -56.6 | -30.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | M120 Q121 N164 E229 | M120-G162 WeakPolarHBondContact CB-O 3.2Å; M120-G162 PolarHBondContact N-O 2.88Å; M120-G162 VanDerWaalsContact N-O 3.17Å; Q121-G162 PolarHBondContact N-O 3Å; G162-N164 VanDerWaalsContact C-N 3.34Å; G162-E229 VanDerWaalsContact CA-OE1 3.28Å; G162-E229 WeakPolarHBondContact CA-OE1 3.39Å; G162-E229 PolarHBondContact N-OE1 3.28Å; G162-E229 VanDerWaalsContact N-OE1 3.14Å; G162-E229 PolarHBondContact N-OE2 3.11Å |
| 163 | A | 92.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 21 Ų | 21 | 22% | 0.223 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -72 | -24.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S119 Q121 K161 | S119-A163 VanDerWaalsContact CB-O 3.29Å; S119-A163 WeakPolarHBondContact CB-O 3.45Å; Q121-A163 HydrophobicContact CB-CB 4.15Å; K161-A163 HydrophobicContact CG-CB 4.24Å; K161-A163 PolarHBondContact O-N 2.82Å; K161-A163 VanDerWaalsContact O-N 3.14Å |
| 164 | N | 95 | Very high | 94.3 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 6% | 0.064 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -102.5 | 4.1 | -174.9 | -67.2 | 4.2 | 0 | 0 | 0 | 112.6 | D159 K161 G162 A176 | D159-N164 PolarHBondContact O-ND2 3.13Å; D159-N164 PolarHBondContact OD2-ND2 2.88Å; K161-N164 WeakPolarHBondContact CE-OD1 3.24Å; K161-N164 HydrophobicContact CG-CB 4.14Å; K161-N164 PolarHBondContact O-N 3.31Å; G162-N164 VanDerWaalsContact C-N 3.34Å; N164-A176 PolarHBondContact O-N 2.87Å |
| 165 | I | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.8 | 173 | -63.5 | 163.8 | 0 | 0 | 0 | 107 | S119 M120 V139 T143 I160 K161 V173 K174 T226 Y230 | S119-I165 CarbonylContact C-O 3.53Å; S119-I165 WeakPolarHBondContact CA-O 3.46Å; M120-I165 HydrophobicContact CG-CB 4.29Å; M120-I165 HydrophobicContact CG-CG2 3.88Å; M120-I165 PolarHBondContact N-O 2.8Å; V139-I165 HydrophobicContact CG1-CG2 3.99Å; T143-I165 HydrophobicContact CG2-CD1 3.81Å; T143-I165 HydrophobicContact CG2-CG1 4.23Å; I160-I165 HydrophobicContact CG2-CD1 4.21Å; K161-I165 PolarHBondContact O-N 3.13Å; I165-V173 HydrophobicContact CG2-CG1 3.59Å; I165-K174 CarbonylContact C-O 3.56Å; I165-K174 WeakPolarHBondContact CA-O 3.5Å; I165-T226 HydrophobicContact CD1-CG2 3.91Å; I165-Y230 WeakPolarHBondContact CD1-OH 3.25Å |
| 166 | L | 97.2 | Very high | 94.9 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 20% | 0.199 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 153.9 | -174.8 | -45 | -178 | 0 | 0 | 0 | 111.1 | C115 F118 K174 A176 | C115-L166 HydrophobicContact CB-CB 3.53Å; C115-L166 HydrophobicContact CB-CD1 3.77Å; C115-L166 HydrophobicContact CB-CG 4.3Å; F118-L166 WeakPolarHBondContact O-CA 3.37Å; L166-K174 HydrophobicContact CB-CB 4.41Å; L166-K174 PolarHBondContact N-O 3.43Å; L166-K174 PolarHBondContact O-N 3.21Å; L166-A176 HydrophobicContact CD1-CB 3.61Å; L166-A176 HydrophobicContact CG-CB 3.92Å |
| 167 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141.3 | 167.5 | -60.8 | -170 | 0 | 0 | 0 | 111.3 | C115 G117 F118 M120 I123 D172 V173 T306 L310 | C115-L167 CarbonylContact C-O 3.38Å; C115-L167 WeakPolarHBondContact CA-O 3.47Å; C115-L167 WeakPolarHBondContact CB-O 3.29Å; G117-L167 VanDerWaalsContact CA-O 3.22Å; G117-L167 WeakPolarHBondContact CA-O 3.12Å; G117-L167 PolarHBondContact N-O 2.94Å; F118-L167 PolarHBondContact O-N 2.84Å; M120-L167 HydrophobicContact SD-CD1 4.02Å; M120-L167 HydrophobicContact SD-CD2 4.05Å; M120-L167 HydrophobicContact SD-CG 3.97Å; I123-L167 HydrophobicContact CD1-CB 4.45Å; I123-L167 HydrophobicContact CD1-CD1 3.54Å; I123-L167 HydrophobicContact CD1-CG 3.89Å; L167-D172 WeakPolarHBondContact CA-O 3.25Å; L167-V173 HydrophobicContact CD2-CB 4.31Å; L167-V173 HydrophobicContact CD2-CG2 3.75Å; L167-T306 HydrophobicContact CD1-CG2 3.93Å; L167-T306 HydrophobicContact CD2-CG2 3.84Å; L167-L310 HydrophobicContact CB-CD1 4.41Å; L167-L310 HydrophobicContact CB-CD2 4.41Å; L167-L310 HydrophobicContact CD1-CD1 4.24Å; L167-L310 HydrophobicContact CD1-CD2 3.99Å; L167-L310 HydrophobicContact CD1-CG 3.94Å |
| 168 | T | 96.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | trans | -68.6 | 166.8 | 162.5 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | D170 G171 D172 K174 L310 | T168-D170 PolarHBondContact O-N 3.37Å; T168-D170 VanDerWaalsContact O-N 3.13Å; T168-D170 WeakPolarHBondContact OG1-CB 3.47Å; T168-D170 PolarHBondContact OG1-N 3Å; T168-G171 PolarHBondContact O-N 3.01Å; T168-G171 PolarHBondContact OG1-N 3.32Å; T168-D172 HydrophobicContact CG2-CB 3.98Å; T168-D172 PolarHBondContact N-O 2.74Å; T168-D172 WeakPolarHBondContact OG1-CB 3.5Å; T168-D172 PolarHBondContact OG1-N 2.76Å; T168-D172 PolarHBondContact OG1-OD2 3.41Å; T168-K174 HydrophobicContact CG2-CG 4.03Å; T168-L310 WeakPolarHBondContact O-CD1 3.37Å | ||
| 169 | T | 93.5 | Very high | 93.4 | Very high | 70 Ų | 70 | 20.1 Ų | 20.1 | 43% | 0.429 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.5 | 169 | 40.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 170 | D | 94.7 | Very high | 92.3 | Very high | 76 Ų | 76 | 21.1 Ų | 21.1 | 41% | 0.406 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -14.1 | 179.4 | -87.5 | -95.6 | 0 | 0 | 0 | 113.9 | T168 D172 R303 L307 | T168-D170 PolarHBondContact O-N 3.37Å; T168-D170 VanDerWaalsContact O-N 3.13Å; T168-D170 WeakPolarHBondContact OG1-CB 3.47Å; T168-D170 PolarHBondContact OG1-N 3Å; D170-D172 VanDerWaalsContact CB-OD2 3.25Å; D170-D172 WeakPolarHBondContact CB-OD2 3.36Å; D170-R303 VanDerWaalsContact O-CD 3.31Å; D170-R303 WeakPolarHBondContact O-CD 3.24Å; D170-R303 PolarHBondContact O-NE 3Å; D170-R303 PolarHBondContact O-NH2 3.34Å; D170-R303 IonicContact OD1-CZ 2.77Å; D170-R303 IonicContact OD1-NH1 3.58Å; D170-R303 IonicContact OD1-NH2 2.76Å; D170-R303 PolarHBondContact OD1-NH2 3.22Å; D170-L307 VanDerWaalsContact O-CD2 3.23Å; D170-L307 WeakPolarHBondContact O-CD2 3.24Å; D170-L307 VanDerWaalsContact O-CG 3.3Å; D170-L307 WeakPolarHBondContact O-CG 3.08Å |
| 171 | G | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | 88.4 | 11.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T168 R303 T306 | T168-G171 PolarHBondContact O-N 3.01Å; T168-G171 PolarHBondContact OG1-N 3.32Å; G171-R303 WeakPolarHBondContact O-CG 3.25Å; G171-T306 VanDerWaalsContact O-CB 3.25Å; G171-T306 WeakPolarHBondContact O-CB 3.31Å; G171-T306 PolarHBondContact O-OG1 2.87Å | ||
| 172 | D | 97.6 | Very high | 89 | Confident | 55 Ų | 55 | 20.5 Ų | 20.5 | 29% | 0.294 | 12% | 0.123 | S | C | . | . | trans | -71.8 | 139 | 170.9 | -43.1 | -78.8 | 0 | 0 | 0 | 110 | L167 T168 D170 R303 | L167-D172 WeakPolarHBondContact CA-O 3.25Å; T168-D172 HydrophobicContact CG2-CB 3.98Å; T168-D172 PolarHBondContact N-O 2.74Å; T168-D172 WeakPolarHBondContact OG1-CB 3.5Å; T168-D172 PolarHBondContact OG1-N 2.76Å; T168-D172 PolarHBondContact OG1-OD2 3.41Å; D170-D172 VanDerWaalsContact CB-OD2 3.25Å; D170-D172 WeakPolarHBondContact CB-OD2 3.36Å; D172-R303 WeakPolarHBondContact OD1-CD 3.29Å; D172-R303 IonicContact OD1-CZ 3.24Å; D172-R303 IonicContact OD1-NE 2.77Å; D172-R303 IonicContact OD1-NH1 3.24Å; D172-R303 PolarHBondContact OD1-NH1 2.91Å; D172-R303 IonicContact OD2-NH1 3.91Å; D172-R303 PolarHBondContact OD2-NH1 2.97Å | ||
| 173 | V | 98.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.3 | -174.4 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | N84 F138 V139 E142 I165 L167 T306 | N84-V173 VanDerWaalsContact CA-O 3.26Å; N84-V173 WeakPolarHBondContact CA-O 3.37Å; N84-V173 PolarHBondContact ND2-O 2.81Å; F138-V173 HydrophobicContact CD1-CG2 4.33Å; F138-V173 HydrophobicContact CE1-CG2 3.86Å; V139-V173 HydrophobicContact CG1-CG1 4.05Å; V139-V173 HydrophobicContact CG2-CG2 4.09Å; E142-V173 HydrophobicContact CB-CB 3.64Å; E142-V173 HydrophobicContact CB-CG1 4.1Å; E142-V173 HydrophobicContact CB-CG2 3.91Å; E142-V173 HydrophobicContact CG-CB 4.29Å; E142-V173 HydrophobicContact CG-CG2 4.11Å; I165-V173 HydrophobicContact CG2-CG1 3.59Å; L167-V173 HydrophobicContact CD2-CB 4.31Å; L167-V173 HydrophobicContact CD2-CG2 3.75Å; V173-T306 HydrophobicContact CG2-CG2 4.21Å |
| 174 | K | 98.2 | Very high | 85.6 | Confident | 18 Ų | 18 | 24.5 Ų | 24.5 | 8% | 0.078 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128 | -171.2 | -61.2 | -73.9 | -176.2 | 156 | 0 | 111.8 | C83 E113 I165 L166 T168 | C83-K174 VanDerWaalsContact O-CD 3.32Å; C83-K174 WeakPolarHBondContact O-CD 3.41Å; C83-K174 VanDerWaalsContact O-CE 3.23Å; C83-K174 WeakPolarHBondContact O-CE 3.38Å; C83-K174 PolarHBondContact O-NZ 2.99Å; E113-K174 WeakPolarHBondContact OE1-CE 3.45Å; E113-K174 IonicContact OE1-NZ 2.89Å; E113-K174 PolarHBondContact OE1-NZ 3.05Å; E113-K174 WeakPolarHBondContact OE2-CE 3.15Å; E113-K174 IonicContact OE2-NZ 3.24Å; E113-K174 PolarHBondContact OE2-NZ 3.24Å; I165-K174 CarbonylContact C-O 3.56Å; I165-K174 WeakPolarHBondContact CA-O 3.5Å; L166-K174 HydrophobicContact CB-CB 4.41Å; L166-K174 PolarHBondContact N-O 3.43Å; L166-K174 PolarHBondContact O-N 3.21Å; T168-K174 HydrophobicContact CG2-CG 4.03Å |
| 175 | I | 97.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 137.8 | 169.3 | -58.9 | 175.1 | 0 | 0 | 0 | 110 | N84 I85 V86 T143 I147 H157 I160 F178 | N84-I175 PolarHBondContact O-N 3.42Å; I85-I175 HydrophobicContact CG1-CB 4.45Å; V86-I175 WeakPolarHBondContact CG1-O 3.26Å; V86-I175 PolarHBondContact N-O 2.88Å; T143-I175 HydrophobicContact CG2-CD1 3.98Å; T143-I175 HydrophobicContact CG2-CG1 4.16Å; I147-I175 HydrophobicContact CG1-CD1 3.97Å; H157-I175 WeakPolarHBondContact NE2-CG2 3.48Å; I160-I175 HydrophobicContact CD1-CD1 4.25Å; I160-I175 HydrophobicContact CD1-CG2 4.13Å; I175-F178 HydrophobicContact CG2-CZ 4.25Å |
| 176 | A | 93.2 | Very high | 80.5 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | trans | -142.9 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V86 H157 N164 L166 | V86-A176 HydrophobicContact CB-CB 4.38Å; V86-A176 HydrophobicContact CG1-CB 3.89Å; H157-A176 PolarHBondContact CE1-O 3.34Å; H157-A176 VanDerWaalsContact CE1-O 3.29Å; H157-A176 PolarHBondContact NE2-O 3.41Å; N164-A176 PolarHBondContact O-N 2.87Å; L166-A176 HydrophobicContact CD1-CB 3.61Å; L166-A176 HydrophobicContact CG-CB 3.92Å | ||
| 177 | D | 85.1 | Confident | 78.1 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | trans | 62.2 | 67 | -178.1 | -152.4 | 36.7 | 0 | 0 | 0 | 116.3 | K57 G179 | K57-D177 IonicContact NZ-OD1 3.9Å; K57-D177 PolarHBondContact NZ-OD1 3.16Å; D177-G179 PolarHBondContact O-N 3.14Å | ||
| 178 | F | 83.5 | Confident | 75.5 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -72.1 | 12 | 177.3 | -61.1 | -89.7 | 0 | 0 | 0 | 114.7 | E73 T76 L77 I85 V86 M150 H157 I175 V180 A181 | E73-F178 HydrophobicContact CG-CB 4.18Å; T76-F178 HydrophobicContact CG2-CB 4.08Å; T76-F178 HydrophobicContact CG2-CD1 3.67Å; T76-F178 HydrophobicContact CG2-CG 4.11Å; L77-F178 HydrophobicContact CB-CD2 4.25Å; L77-F178 HydrophobicContact CD1-CD2 3.86Å; L77-F178 HydrophobicContact CD1-CE2 3.79Å; L77-F178 HydrophobicContact CG-CD2 4.5Å; I85-F178 HydrophobicContact CG1-CZ 4.44Å; I85-F178 HydrophobicContact CG2-CE2 4.02Å; I85-F178 HydrophobicContact CG2-CZ 3.64Å; V86-F178 HydrophobicContact CG1-CE2 4.3Å; M150-F178 HydrophobicContact CE-CD1 4.02Å; M150-F178 HydrophobicContact CE-CE1 3.73Å; M150-F178 HydrophobicContact SD-CE1 3.72Å; H157-F178 AromaticContact CD2-CD1 3.79Å; H157-F178 AromaticContact CD2-CE1 3.64Å; H157-F178 AromaticContact NE2-CD1 4Å; H157-F178 AromaticContact NE2-CE1 3.96Å; I175-F178 HydrophobicContact CG2-CZ 4.25Å; F178-V180 PolarHBondContact O-N 2.71Å; F178-A181 HydrophobicContact CB-CB 4.19Å; F178-A181 HydrophobicContact CD1-CB 4.38Å; F178-A181 WeakPolarHBondContact O-CB 3.38Å; F178-A181 PolarHBondContact O-N 3.08Å |
| 179 | G | 70.8 | Confident | 72.8 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -60.8 | -16.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E73 D177 | E73-G179 WeakPolarHBondContact OE2-CA 3.49Å; D177-G179 PolarHBondContact O-N 3.14Å |
| 180 | V | 67.6 | Low | 70.6 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -119.1 | 10.6 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 114 | R158 D159 F178 I195 | R158-V180 PolarHBondContact NE-O 3.43Å; R158-V180 PolarHBondContact NH2-O 3.42Å; D159-V180 HydrophobicContact CB-CG2 3.57Å; F178-V180 PolarHBondContact O-N 2.71Å; V180-I195 HydrophobicContact CB-CG2 3.56Å; V180-I195 HydrophobicContact CG1-CG2 3.59Å |
| 181 | A | 63.8 | Low | 68.4 | Low | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | trans | -60.5 | 154.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T76 I156 R158 F178 | T76-A181 HydrophobicContact CG2-CB 3.88Å; I156-A181 CarbonylContact O-C 3.38Å; I156-A181 VanDerWaalsContact O-CA 3.3Å; I156-A181 WeakPolarHBondContact O-CA 3.08Å; R158-A181 PolarHBondContact NH2-O 2.68Å; R158-A181 VanDerWaalsContact NH2-O 3.07Å; F178-A181 HydrophobicContact CB-CB 4.19Å; F178-A181 HydrophobicContact CD1-CB 4.38Å; F178-A181 WeakPolarHBondContact O-CB 3.38Å; F178-A181 PolarHBondContact O-N 3.08Å | ||
| 182 | A | 58 | Low | 66 | Low | 14 Ų | 14 | 53 Ų | 53 | 12% | 0.116 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K155 I156 | K155-A182 VanDerWaalsContact CA-O 3.24Å; K155-A182 WeakPolarHBondContact CA-O 3.45Å; I156-A182 HydrophobicContact CB-CB 4.17Å; I156-A182 HydrophobicContact CD1-CB 4.4Å; I156-A182 HydrophobicContact CG1-CB 4.37Å; I156-A182 PolarHBondContact N-O 3.21Å; I156-A182 PolarHBondContact O-N 2.94Å |
| 183 | Q | 59.3 | Low | 63.5 | Low | 64 Ų | 64 | 52.8 Ų | 52.8 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.5 | 159.7 | -169.8 | 170.1 | 7.8 | 0 | 0 | 108.2 | G154 T185 | G154-Q183 CarbonylContact O-C 3.6Å; G154-Q183 WeakPolarHBondContact O-CA 3.38Å; Q183-T185 VanDerWaalsContact C-N 3.28Å; Q183-T185 PolarHBondContact O-N 3.48Å |
| 184 | I | 57.3 | Low | 61.3 | Low | 48 Ų | 48 | 55.7 Ų | 55.7 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -30.1 | -166.7 | -68.3 | 176.7 | 0 | 0 | 0 | 112.5 | G154 I156 R191 E216 | G154-I184 WeakPolarHBondContact O-CG1 3.48Å; G154-I184 PolarHBondContact O-N 3.19Å; I156-I184 HydrophobicContact CD1-CG1 4Å; I156-I184 HydrophobicContact CG1-CD1 4.08Å; I156-I184 HydrophobicContact CG1-CG1 3.74Å; I184-R191 PolarHBondContact O-NH2 3.47Å; I184-E216 HydrophobicContact CD1-CB 4.12Å |
| 185 | T | 44.2 | Very low | 59.5 | Low | 110 Ų | 110 | 57.3 Ų | 57.3 | 68% | 0.675 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6.6 | -171.5 | 45.2 | 0 | 0 | 0 | 0 | 115.6 | Q183 | Q183-T185 VanDerWaalsContact C-N 3.28Å; Q183-T185 PolarHBondContact O-N 3.48Å |
| 186 | Q | 42.8 | Very low | 58.1 | Low | 113 Ų | 113 | 58.2 Ų | 58.2 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -130.2 | 142 | 179.5 | -70 | -173.2 | -9.8 | 0 | 0 | 112.1 | ||
| 187 | T | 44.9 | Very low | 57.3 | Low | 63 Ų | 63 | 59.6 Ų | 59.6 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | trans | 61.9 | 74.7 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 117 | Q189 R190 R191 | T187-Q189 PolarHBondContact O-N 3.16Å; T187-R190 HydrophobicContact CG2-CG 4.07Å; T187-R190 PolarHBondContact O-N 3.15Å; T187-R190 WeakPolarHBondContact OG1-CB 3.49Å; T187-R190 WeakPolarHBondContact OG1-CD 3.37Å; T187-R191 PolarHBondContact O-N 2.95Å | ||
| 188 | I | 43.4 | Very low | 57.2 | Low | 128 Ų | 128 | 58.2 Ų | 58.2 | 66% | 0.656 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -49.4 | -41.9 | 157.3 | -67.1 | 172 | 0 | 0 | 0 | 110.3 | R190 R191 | I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 2.62Å; I188-R191 WeakPolarHBondContact O-CB 3.25Å; I188-R191 PolarHBondContact O-N 2.85Å |
| 189 | Q | 41 | Very low | 57.6 | Low | 162 Ų | 162 | 59.5 Ų | 59.5 | 76% | 0.757 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -60.3 | -26.5 | 177 | -70 | 169.8 | -25 | 0 | 0 | 114.6 | T187 N192 | T187-Q189 PolarHBondContact O-N 3.16Å; Q189-N192 PolarHBondContact O-N 3.2Å |
| 190 | R | 46.5 | Very low | 58.6 | Low | 93 Ų | 93 | 59.5 Ų | 59.5 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -87.2 | -4.4 | 173.6 | -71.3 | -175.6 | 176.5 | 172.3 | -15.4 | 113.6 | T187 I188 S193 | T187-R190 HydrophobicContact CG2-CG 4.07Å; T187-R190 PolarHBondContact O-N 3.15Å; T187-R190 WeakPolarHBondContact OG1-CB 3.49Å; T187-R190 WeakPolarHBondContact OG1-CD 3.37Å; I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 2.62Å; R190-S193 PolarHBondContact O-OG 3.01Å |
| 191 | R | 48.6 | Very low | 59.7 | Low | 45 Ų | 45 | 58.4 Ų | 58.4 | 17% | 0.17 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -75.1 | -12.6 | 164.7 | -64 | -170.8 | 171.1 | 97.9 | 7.8 | 111.9 | I184 T187 I188 V208 Y214 | I184-R191 PolarHBondContact O-NH2 3.47Å; T187-R191 PolarHBondContact O-N 2.95Å; I188-R191 WeakPolarHBondContact O-CB 3.25Å; I188-R191 PolarHBondContact O-N 2.85Å; R191-V208 VanDerWaalsContact O-CG1 3.23Å; R191-V208 WeakPolarHBondContact O-CG1 3.29Å; R191-Y214 HydrophobicContact CB-CD1 4.49Å; R191-Y214 HydrophobicContact CB-CE1 4.2Å; R191-Y214 WeakPolarHBondContact CD-O 3.36Å; R191-Y214 PolarHBondContact NE-O 3.15Å; R191-Y214 WeakPolarHBondContact O-CE1 3.34Å |
| 192 | N | 43.2 | Very low | 60.9 | Low | 90 Ų | 90 | 58.2 Ų | 58.2 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -87.6 | -6.1 | 179.9 | -67.7 | -0 | 0 | 0 | 0 | 114.3 | Q189 V208 | Q189-N192 PolarHBondContact O-N 3.2Å; N192-V208 HydrophobicContact CB-CG1 4.47Å |
| 193 | S | 46 | Very low | 62.3 | Low | 50 Ų | 50 | 57.9 Ų | 57.9 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -90.3 | 137.5 | 175.4 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | R190 I195 | R190-S193 PolarHBondContact O-OG 3.01Å; S193-I195 PolarHBondContact O-N 2.94Å; S193-I195 VanDerWaalsContact O-N 3.15Å; S193-I195 WeakPolarHBondContact OG-CD1 3.49Å |
| 194 | F | 53.3 | Low | 63.5 | Low | 62 Ų | 62 | 55.6 Ų | 55.6 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | trans | -73.7 | 102.9 | -179.5 | -170.8 | -87.4 | 0 | 0 | 0 | 111.3 | P198 M201 L246 P2049 | F194-P198 HydrophobicContact CE1-CG 4.09Å; F194-P198 HydrophobicContact CZ-CG 4.08Å; F194-M201 HydrophobicContact CD1-CE 4.36Å; F194-M201 HydrophobicContact CD2-CE 4.25Å; F194-M201 HydrophobicContact CD2-SD 4.48Å; F194-M201 HydrophobicContact CE1-CE 3.81Å; F194-M201 HydrophobicContact CE1-SD 4.2Å; F194-M201 HydrophobicContact CE2-CE 3.66Å; F194-M201 HydrophobicContact CE2-SD 3.43Å; F194-M201 WeakPolarHBondContact CE2-SD 3.48Å; F194-M201 HydrophobicContact CZ-CE 3.39Å; F194-M201 HydrophobicContact CZ-SD 3.24Å; F194-M201 WeakPolarHBondContact CZ-SD 3.28Å; F194-L246 HydrophobicContact CE1-CD1 3.99Å; F194-L246 HydrophobicContact CE2-CD1 3.49Å; F194-L246 VanDerWaalsContact CE2-CD1 3.49Å; F194-L246 HydrophobicContact CE2-CD2 3.74Å; F194-L246 HydrophobicContact CE2-CG 4.24Å; F194-L246 HydrophobicContact CZ-CD1 3.15Å; F194-L246 HydrophobicContact CZ-CD2 3.67Å; F194-L246 HydrophobicContact CZ-CG 4.01Å; F194-P2049 HydrophobicContact CB-CB 3.85Å; F194-P2049 HydrophobicContact CB-CG 3.94Å; F194-P2049 HydrophobicContact CD1-CB 3.75Å; F194-P2049 HydrophobicContact CG-CB 3.78Å; F194-P2049 HydrophobicContact CG-CG 4.2Å | ||
| 195 | I | 59.2 | Low | 64.6 | Low | 52 Ų | 52 | 54 Ų | 54 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | trans | -140.9 | 128.3 | -171.4 | -62.2 | 179.6 | 0 | 0 | 0 | 110.5 | V180 S193 M201 | V180-I195 HydrophobicContact CB-CG2 3.56Å; V180-I195 HydrophobicContact CG1-CG2 3.59Å; S193-I195 PolarHBondContact O-N 2.94Å; S193-I195 VanDerWaalsContact O-N 3.15Å; S193-I195 WeakPolarHBondContact OG-CD1 3.49Å; I195-M201 WeakPolarHBondContact O-CE 3.36Å | ||
| 196 | G | 67.5 | Low | 65.9 | Low | 20 Ų | 20 | 49.6 Ų | 49.6 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 125.7 | 165.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P198 | G196-P198 WeakPolarHBondContact O-CD 3.42Š|
| 197 | T | 78.3 | Confident | 67.3 | Low | 36 Ų | 36 | 44.6 Ų | 44.6 | 22% | 0.221 | 23% | 0.233 | C | C | . | . | trans | -79.3 | 116.8 | -179.9 | -49.3 | 0 | 0 | 0 | 0 | 111.3 | D159 K161 Y199 W200 M201 | D159-T197 VanDerWaalsContact OD1-CB 3.25Å; D159-T197 WeakPolarHBondContact OD1-CB 3.37Å; D159-T197 PolarHBondContact OD1-N 3.32Å; D159-T197 PolarHBondContact OD1-OG1 2.79Å; K161-T197 PolarHBondContact NZ-OG1 3.4Å; T197-Y199 VanDerWaalsContact C-N 3.34Å; T197-Y199 PolarHBondContact O-N 3.38Å; T197-W200 HydrophobicContact CG2-CE3 3.45Å; T197-W200 VanDerWaalsContact CG2-CE3 3.45Å; T197-W200 HydrophobicContact CG2-CZ3 3.36Å; T197-W200 PolarHBondContact O-N 2.93Å; T197-W200 VanDerWaalsContact O-N 3.08Å; T197-M201 PolarHBondContact O-N 3.36Å | ||
| 198 | P | 83.1 | Confident | 68.3 | Low | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.8 | -162.7 | -34.6 | 40 | 0 | 0 | 0 | 118.4 | F194 G196 W200 M201 P242 M243 L246 | F194-P198 HydrophobicContact CE1-CG 4.09Å; F194-P198 HydrophobicContact CZ-CG 4.08Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-W200 VanDerWaalsContact C-N 3.34Å; P198-M201 WeakPolarHBondContact O-CB 3.22Å; P198-M201 PolarHBondContact O-N 3.45Å; P198-P242 HydrophobicContact CB-CB 3.97Å; P198-P242 HydrophobicContact CG-CB 3.92Å; P198-M243 HydrophobicContact CG-CE 4.29Å; P198-L246 HydrophobicContact CB-CD1 4.12Å; P198-L246 HydrophobicContact CB-CD2 3.98Å; P198-L246 HydrophobicContact CB-CG 3.94Å; P198-L246 HydrophobicContact CG-CD1 4.32Å |
| 199 | Y | 90.4 | Very high | 68.9 | Low | 30 Ų | 30 | 42.4 Ų | 42.4 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24.5 | -177.8 | -50 | -79.7 | 0 | 0 | 0 | 113.2 | T197 P235 L237 F238 L240 P242 A245 | T197-Y199 VanDerWaalsContact C-N 3.34Å; T197-Y199 PolarHBondContact O-N 3.38Å; Y199-P235 HydrophobicContact CG-CG 4.28Å; Y199-L237 WeakPolarHBondContact CD1-O 3.21Å; Y199-L237 WeakPolarHBondContact CE1-O 3.32Å; Y199-F238 HydrophobicContact CD1-CD2 4.46Å; Y199-F238 AromaticContact CD2-CD2 3.73Å; Y199-F238 HydrophobicContact CD2-CD2 3.73Å; Y199-F238 HydrophobicContact CD2-CE2 4.12Å; Y199-F238 HydrophobicContact CE1-CD2 4.47Å; Y199-F238 AromaticContact CE2-CD2 3.73Å; Y199-F238 HydrophobicContact CE2-CD2 3.73Å; Y199-F238 HydrophobicContact CE2-CE2 4.06Å; Y199-F238 HydrophobicContact CG-CD2 4.08Å; Y199-L240 WeakPolarHBondContact CE1-O 3.29Å; Y199-L240 PolarHBondContact OH-O 2.91Å; Y199-P242 HydrophobicContact CE2-CB 4.45Å; Y199-P242 HydrophobicContact CE2-CG 4.13Å; Y199-P242 VanDerWaalsContact OH-CD 3.31Å; Y199-P242 WeakPolarHBondContact OH-CD 3.37Å; Y199-P242 WeakPolarHBondContact OH-CG 3.36Å; Y199-A245 HydrophobicContact CD1-CB 3.97Å; Y199-A245 HydrophobicContact CE1-CB 3.97Å |
| 200 | W | 93.3 | Very high | 69.3 | Low | 13 Ų | 13 | 43.2 Ų | 43.2 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -5.9 | 175.8 | -64.7 | -105.7 | 0 | 0 | 0 | 112.4 | K161 T197 P198 A222 I225 E229 P235 F238 | K161-W200 HydrophobicContact CB-CD2 3.92Å; K161-W200 HydrophobicContact CB-CG 4.02Å; K161-W200 HydrophobicContact CB-CZ2 4.07Å; T197-W200 HydrophobicContact CG2-CE3 3.45Å; T197-W200 VanDerWaalsContact CG2-CE3 3.45Å; T197-W200 HydrophobicContact CG2-CZ3 3.36Å; T197-W200 PolarHBondContact O-N 2.93Å; T197-W200 VanDerWaalsContact O-N 3.08Å; P198-W200 VanDerWaalsContact C-N 3.34Å; W200-A222 HydrophobicContact CB-CB 4.34Å; W200-A222 WeakPolarHBondContact O-CA 3.29Å; W200-A222 WeakPolarHBondContact O-CB 3.37Å; W200-I225 HydrophobicContact CB-CG2 4.33Å; W200-I225 HydrophobicContact CD2-CG2 4.42Å; W200-I225 HydrophobicContact CG-CB 4.37Å; W200-I225 HydrophobicContact CG-CG2 3.84Å; W200-E229 HydrophobicContact CZ2-CG 4.23Å; W200-E229 WeakPolarHBondContact CZ2-OE2 3.49Å; W200-E229 PolarHBondContact NE1-OE2 3.4Å; W200-P235 HydrophobicContact CD2-CB 4.4Å; W200-P235 HydrophobicContact CD2-CG 4.44Å; W200-P235 HydrophobicContact CE3-CG 4.36Å; W200-P235 HydrophobicContact CH2-CB 4.46Å; W200-P235 HydrophobicContact CH2-CG 3.61Å; W200-P235 HydrophobicContact CZ2-CB 4.1Å; W200-P235 HydrophobicContact CZ2-CG 3.67Å; W200-P235 HydrophobicContact CZ3-CG 3.96Å; W200-F238 HydrophobicContact CH2-CE2 4.24Å |
| 201 | M | 89.1 | Confident | 69.7 | Low | 9 Ų | 9 | 46.8 Ų | 46.8 | 4% | 0.044 | 23% | 0.23 | C | C | . | . | trans | -66.6 | 140.8 | 179.2 | -77.8 | -172.3 | 158.7 | 0 | 0 | 112.3 | F194 I195 T197 P198 V205 W221 L246 | F194-M201 HydrophobicContact CD1-CE 4.36Å; F194-M201 HydrophobicContact CD2-CE 4.25Å; F194-M201 HydrophobicContact CD2-SD 4.48Å; F194-M201 HydrophobicContact CE1-CE 3.81Å; F194-M201 HydrophobicContact CE1-SD 4.2Å; F194-M201 HydrophobicContact CE2-CE 3.66Å; F194-M201 HydrophobicContact CE2-SD 3.43Å; F194-M201 WeakPolarHBondContact CE2-SD 3.48Å; F194-M201 HydrophobicContact CZ-CE 3.39Å; F194-M201 HydrophobicContact CZ-SD 3.24Å; F194-M201 WeakPolarHBondContact CZ-SD 3.28Å; I195-M201 WeakPolarHBondContact O-CE 3.36Å; T197-M201 PolarHBondContact O-N 3.36Å; P198-M201 WeakPolarHBondContact O-CB 3.22Å; P198-M201 PolarHBondContact O-N 3.45Å; M201-V205 HydrophobicContact CE-CG1 3.86Å; M201-V205 HydrophobicContact CG-CG1 4.24Å; M201-V205 HydrophobicContact SD-CG1 3.98Å; M201-W221 PolarHBondContact O-NE1 3.13Å; M201-W221 VanDerWaalsContact O-NE1 3.09Å; M201-L246 HydrophobicContact SD-CD2 3.79Å | ||
| 202 | A | 89.3 | Confident | 69.6 | Low | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | trans | -75.1 | 152.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E204 V205 A206 C218 W221 | A202-E204 VanDerWaalsContact CB-CD 3.43Å; A202-E204 WeakPolarHBondContact CB-OE1 3.4Å; A202-E204 WeakPolarHBondContact CB-OE2 3.11Å; A202-E204 PolarHBondContact O-N 3.45Å; A202-V205 HydrophobicContact CB-CG2 4.17Å; A202-V205 WeakPolarHBondContact O-CB 3.49Å; A202-V205 PolarHBondContact O-N 3.15Å; A202-A206 PolarHBondContact O-N 3.34Å; A202-A206 VanDerWaalsContact O-N 3.07Å; A202-C218 HydrophobicContact CB-CB 4.19Å; A202-W221 VanDerWaalsContact CA-CD1 3.44Å; A202-W221 HydrophobicContact CB-CB 3.72Å; A202-W221 HydrophobicContact CB-CD2 4.09Å; A202-W221 HydrophobicContact CB-CG 3.57Å | ||
| 203 | P | 87.1 | Confident | 70.5 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.7 | -175.8 | -26.9 | 38 | 0 | 0 | 0 | 114.2 | A207 W221 L249 Y254 K279 | P203-A207 VanDerWaalsContact O-CB 3.24Å; P203-A207 WeakPolarHBondContact O-CB 3.44Å; P203-A207 PolarHBondContact O-N 3.48Å; P203-W221 HydrophobicContact CG-CE3 4.37Å; P203-W221 HydrophobicContact CG-CH2 3.57Å; P203-W221 HydrophobicContact CG-CZ2 3.81Å; P203-W221 HydrophobicContact CG-CZ3 3.84Å; P203-L249 HydrophobicContact CG-CD2 4.28Å; P203-Y254 HydrophobicContact CG-CD1 4.05Å; P203-Y254 HydrophobicContact CG-CE1 3.87Å; P203-K279 HydrophobicContact CB-CG 4.26Å; P203-K279 HydrophobicContact CG-CG 4.22Å |
| 204 | E | 85.6 | Confident | 71.7 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -41.6 | 172.1 | 67.4 | -75.9 | 177.8 | 0 | 0 | 112.4 | A202 A206 A207 V208 E281 R284 | A202-E204 VanDerWaalsContact CB-CD 3.43Å; A202-E204 WeakPolarHBondContact CB-OE1 3.4Å; A202-E204 WeakPolarHBondContact CB-OE2 3.11Å; A202-E204 PolarHBondContact O-N 3.45Å; E204-A206 VanDerWaalsContact C-N 3.34Å; E204-A206 PolarHBondContact O-N 2.8Å; E204-A207 CarbonylContact O-C 3.54Å; E204-A207 WeakPolarHBondContact O-CA 3.42Å; E204-A207 PolarHBondContact O-N 2.82Å; E204-V208 PolarHBondContact O-N 2.92Å; E204-E281 HydrophobicContact CG-CB 4.17Å; E204-E281 HydrophobicContact CG-CG 4.38Å; E204-R284 IonicContact OE1-CZ 2.58Å; E204-R284 IonicContact OE1-NH1 3.91Å; E204-R284 PolarHBondContact OE1-NH1 3.26Å; E204-R284 IonicContact OE1-NH2 2.75Å; E204-R284 PolarHBondContact OE1-NH2 3.45Å; E204-R284 IonicContact OE2-CZ 3.77Å; E204-R284 IonicContact OE2-NH1 3.3Å; E204-R284 IonicContact OE2-NH2 3.71Å; E204-R284 PolarHBondContact OE2-NH2 3.39Å |
| 205 | V | 80.2 | Confident | 73.2 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.085 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -62.3 | -42.5 | 176 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | M201 A202 A207 V208 Y214 C218 | M201-V205 HydrophobicContact CE-CG1 3.86Å; M201-V205 HydrophobicContact CG-CG1 4.24Å; M201-V205 HydrophobicContact SD-CG1 3.98Å; A202-V205 HydrophobicContact CB-CG2 4.17Å; A202-V205 WeakPolarHBondContact O-CB 3.49Å; A202-V205 PolarHBondContact O-N 3.15Å; V205-A207 PolarHBondContact O-N 3.44Å; V205-V208 WeakPolarHBondContact O-CB 3.24Å; V205-V208 VanDerWaalsContact O-CG2 3.31Å; V205-V208 WeakPolarHBondContact O-CG2 3.42Å; V205-V208 PolarHBondContact O-N 2.91Å; V205-Y214 HydrophobicContact CG1-CD1 4.41Å; V205-Y214 HydrophobicContact CG1-CE1 4.24Å; V205-Y214 HydrophobicContact CG2-CD1 4.09Å; V205-Y214 HydrophobicContact CG2-CD2 4.06Å; V205-Y214 HydrophobicContact CG2-CG 3.81Å; V205-C218 HydrophobicContact CG2-CB 3.72Å |
| 206 | A | 71.6 | Confident | 74.7 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -70.3 | -9.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | A202 E204 L246 L249 | A202-A206 PolarHBondContact O-N 3.34Å; A202-A206 VanDerWaalsContact O-N 3.07Å; E204-A206 VanDerWaalsContact C-N 3.34Å; E204-A206 PolarHBondContact O-N 2.8Å; A206-L246 HydrophobicContact CB-CD2 3.84Å; A206-L249 HydrophobicContact CB-CB 3.75Å |
| 207 | A | 72 | Confident | 75.9 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -112 | 2.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P203 E204 V205 E209 R210 K211 | P203-A207 VanDerWaalsContact O-CB 3.24Å; P203-A207 WeakPolarHBondContact O-CB 3.44Å; P203-A207 PolarHBondContact O-N 3.48Å; E204-A207 CarbonylContact O-C 3.54Å; E204-A207 WeakPolarHBondContact O-CA 3.42Å; E204-A207 PolarHBondContact O-N 2.82Å; V205-A207 PolarHBondContact O-N 3.44Å; A207-E209 VanDerWaalsContact C-N 3.32Å; A207-E209 PolarHBondContact O-N 3.48Å; A207-R210 PolarHBondContact O-N 3.2Å; A207-K211 HydrophobicContact CB-CD 4.26Å; A207-K211 PolarHBondContact O-N 3.03Å |
| 208 | V | 66.6 | Low | 76.6 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -44.6 | -48.9 | -176.4 | 154.4 | 0 | 0 | 0 | 0 | 113.9 | R191 N192 E204 V205 R210 K211 G212 Y214 | R191-V208 VanDerWaalsContact O-CG1 3.23Å; R191-V208 WeakPolarHBondContact O-CG1 3.29Å; N192-V208 HydrophobicContact CB-CG1 4.47Å; E204-V208 PolarHBondContact O-N 2.92Å; V205-V208 WeakPolarHBondContact O-CB 3.24Å; V205-V208 VanDerWaalsContact O-CG2 3.31Å; V205-V208 WeakPolarHBondContact O-CG2 3.42Å; V205-V208 PolarHBondContact O-N 2.91Å; V208-R210 PolarHBondContact O-N 3.21Å; V208-K211 PolarHBondContact O-N 3.21Å; V208-G212 PolarHBondContact O-N 3.2Å; V208-Y214 HydrophobicContact CG2-CD1 3.52Å; V208-Y214 HydrophobicContact CG2-CE1 3.95Å |
| 209 | E | 54.3 | Low | 77.2 | Confident | 133 Ų | 133 | 38 Ų | 38 | 62% | 0.621 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -56.4 | -16.1 | -179 | -65.4 | 179.8 | 155 | 0 | 0 | 113.8 | A207 | A207-E209 VanDerWaalsContact C-N 3.32Å; A207-E209 PolarHBondContact O-N 3.48Å |
| 210 | R | 50.7 | Low | 77.6 | Confident | 179 Ų | 179 | 36.5 Ų | 36.5 | 68% | 0.675 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -118.2 | 1.4 | -179.8 | -49.8 | -174.5 | -160.8 | 81.7 | 6.5 | 114.2 | A207 V208 | A207-R210 PolarHBondContact O-N 3.2Å; V208-R210 PolarHBondContact O-N 3.21Å |
| 211 | K | 53.2 | Low | 77.8 | Confident | 168 Ų | 168 | 35.9 Ų | 35.9 | 73% | 0.73 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140.2 | -25.5 | -169 | -75.2 | -168.5 | 171.6 | -172.5 | 0 | 116.1 | A207 V208 | A207-K211 HydrophobicContact CB-CD 4.26Å; A207-K211 PolarHBondContact O-N 3.03Å; V208-K211 PolarHBondContact O-N 3.21Å |
| 212 | G | 47.6 | Very low | 78.2 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 55% | 0.546 | 19% | 0.185 | S | C | . | . | trans | 74.5 | 107.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V208 | V208-G212 PolarHBondContact O-N 3.2Š| ||
| 213 | G | 61.6 | Low | 78.6 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 18% | 0.175 | 19% | 0.185 | C | C | . | . | trans | 82.6 | 171.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 214 | Y | 72.5 | Confident | 79.1 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | trans | -161.3 | 151.4 | 169.9 | 52 | -90.5 | 0 | 0 | 0 | 108.8 | R158 R191 V205 V208 C218 E281 | R158-Y214 WeakPolarHBondContact CD-OH 3.36Å; R158-Y214 HydrophobicContact CG-CE2 4.27Å; R158-Y214 PolarHBondContact NH1-OH 3.48Å; R191-Y214 HydrophobicContact CB-CD1 4.49Å; R191-Y214 HydrophobicContact CB-CE1 4.2Å; R191-Y214 WeakPolarHBondContact CD-O 3.36Å; R191-Y214 PolarHBondContact NE-O 3.15Å; R191-Y214 WeakPolarHBondContact O-CE1 3.34Å; V205-Y214 HydrophobicContact CG1-CD1 4.41Å; V205-Y214 HydrophobicContact CG1-CE1 4.24Å; V205-Y214 HydrophobicContact CG2-CD1 4.09Å; V205-Y214 HydrophobicContact CG2-CD2 4.06Å; V205-Y214 HydrophobicContact CG2-CG 3.81Å; V208-Y214 HydrophobicContact CG2-CD1 3.52Å; V208-Y214 HydrophobicContact CG2-CE1 3.95Å; Y214-C218 HydrophobicContact CD2-CB 4.43Å; Y214-E281 VanDerWaalsContact CA-OE1 3.29Å; Y214-E281 WeakPolarHBondContact CA-OE1 3.24Å | ||
| 215 | D | 84 | Confident | 79.7 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | trans | -94.6 | -175.7 | 178 | 77.4 | 28.7 | 0 | 0 | 0 | 113.8 | K217 C218 E281 | D215-K217 VanDerWaalsContact CG-NZ 3.3Å; D215-K217 PolarHBondContact O-N 2.83Å; D215-K217 WeakPolarHBondContact OD1-CA 3.26Å; D215-K217 WeakPolarHBondContact OD1-CB 3.49Å; D215-K217 WeakPolarHBondContact OD1-CG 3.21Å; D215-K217 PolarHBondContact OD1-N 3Å; D215-K217 IonicContact OD1-NZ 2.69Å; D215-K217 PolarHBondContact OD1-NZ 2.96Å; D215-K217 IonicContact OD2-NZ 2.68Å; D215-K217 PolarHBondContact OD2-NZ 3.06Å; D215-C218 PolarHBondContact O-SG 2.79Å; D215-C218 VanDerWaalsContact O-SG 3.4Å; D215-E281 PolarHBondContact N-OE1 2.81Å; D215-E281 WeakPolarHBondContact OD2-CG 3.34Å | ||
| 216 | E | 89.7 | Confident | 80.6 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.3 | -176.9 | 72.7 | -69.9 | 155.7 | 0 | 0 | 114.2 | H151 I156 I184 C218 D219 | H151-E216 HydrophobicContact CB-CG 4.1Å; H151-E216 PolarHBondContact CE1-O 3.08Å; H151-E216 WeakPolarHBondContact ND1-CG 3.32Å; H151-E216 PolarHBondContact NE2-O 2.75Å; I156-E216 HydrophobicContact CD1-CB 4.31Å; I156-E216 HydrophobicContact CG1-CB 3.94Å; I184-E216 HydrophobicContact CD1-CB 4.12Å; E216-C218 PolarHBondContact O-N 3.42Å; E216-C218 VanDerWaalsContact O-N 3.11Å; E216-D219 PolarHBondContact O-N 3.34Å; E216-D219 VanDerWaalsContact O-N 3.13Å |
| 217 | K | 94.4 | Very high | 81.9 | Confident | 21 Ų | 21 | 33.2 Ų | 33.2 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 0.1 | -178.3 | -53.1 | -171.5 | -125.3 | 73.9 | 0 | 113.3 | D215 D219 V220 W221 E281 R284 T286 | D215-K217 VanDerWaalsContact CG-NZ 3.3Å; D215-K217 PolarHBondContact O-N 2.83Å; D215-K217 WeakPolarHBondContact OD1-CA 3.26Å; D215-K217 WeakPolarHBondContact OD1-CB 3.49Å; D215-K217 WeakPolarHBondContact OD1-CG 3.21Å; D215-K217 PolarHBondContact OD1-N 3Å; D215-K217 IonicContact OD1-NZ 2.69Å; D215-K217 PolarHBondContact OD1-NZ 2.96Å; D215-K217 IonicContact OD2-NZ 2.68Å; D215-K217 PolarHBondContact OD2-NZ 3.06Å; K217-D219 PolarHBondContact O-N 3.28Å; K217-V220 HydrophobicContact CB-CG2 4.49Å; K217-V220 WeakPolarHBondContact O-CB 3.35Å; K217-V220 PolarHBondContact O-N 3.15Å; K217-W221 PolarHBondContact O-N 3.3Å; K217-E281 PolarHBondContact NZ-O 3.04Å; K217-R284 HydrophobicContact CD-CB 4.46Å; K217-R284 WeakPolarHBondContact CD-O 3.33Å; K217-R284 WeakPolarHBondContact O-CD 3.27Å; K217-R284 PolarHBondContact O-NH1 2.97Å; K217-T286 HydrophobicContact CD-CG2 3.98Å; K217-T286 HydrophobicContact CG-CG2 4.46Å |
| 218 | C | 93 | Very high | 83.1 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -32.2 | 164.4 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | I156 A202 V205 Y214 D215 E216 V220 W221 A222 | I156-C218 VanDerWaalsContact CG2-SG 3.57Å; A202-C218 HydrophobicContact CB-CB 4.19Å; V205-C218 HydrophobicContact CG2-CB 3.72Å; Y214-C218 HydrophobicContact CD2-CB 4.43Å; D215-C218 PolarHBondContact O-SG 2.79Å; D215-C218 VanDerWaalsContact O-SG 3.4Å; E216-C218 PolarHBondContact O-N 3.42Å; E216-C218 VanDerWaalsContact O-N 3.11Å; C218-V220 VanDerWaalsContact C-N 3.29Å; C218-V220 PolarHBondContact O-N 3.1Å; C218-W221 PolarHBondContact O-N 3.39Å; C218-A222 WeakPolarHBondContact O-CB 3.29Å; C218-A222 PolarHBondContact O-N 2.87Å |
| 219 | D | 95.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | 173.5 | -67.8 | -28.6 | 0 | 0 | 0 | 112 | I147 H151 I156 H157 R158 I160 E216 K217 A222 L223 | I147-D219 HydrophobicContact CD1-CB 4.33Å; I147-D219 HydrophobicContact CG2-CB 3.96Å; H151-D219 IonicContact CD2-OD2 2.6Å; H151-D219 IonicContact CE1-OD2 2.65Å; H151-D219 IonicContact NE2-OD2 3.62Å; H151-D219 PolarHBondContact NE2-OD2 2.84Å; I156-D219 VanDerWaalsContact CG2-OD2 3.28Å; I156-D219 WeakPolarHBondContact CG2-OD2 3.34Å; H157-D219 WeakPolarHBondContact CB-OD1 3.48Å; H157-D219 PolarHBondContact N-OD1 3.5Å; H157-D219 PolarHBondContact N-OD2 3.38Å; R158-D219 PolarHBondContact N-OD1 3.27Å; I160-D219 HydrophobicContact CG1-CB 4.21Å; E216-D219 PolarHBondContact O-N 3.34Å; E216-D219 VanDerWaalsContact O-N 3.13Å; K217-D219 PolarHBondContact O-N 3.28Å; D219-A222 PolarHBondContact O-N 2.93Å; D219-L223 PolarHBondContact O-N 3.09Å |
| 220 | V | 97.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.2 | -38.9 | 178 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | K217 C218 G224 R284 A287 L290 | K217-V220 HydrophobicContact CB-CG2 4.49Å; K217-V220 WeakPolarHBondContact O-CB 3.35Å; K217-V220 PolarHBondContact O-N 3.15Å; C218-V220 VanDerWaalsContact C-N 3.29Å; C218-V220 PolarHBondContact O-N 3.1Å; V220-G224 PolarHBondContact O-N 3.33Å; V220-G224 VanDerWaalsContact O-N 3.15Å; V220-R284 HydrophobicContact CG1-CG 4.3Å; V220-A287 HydrophobicContact CG2-CB 4.37Å; V220-L290 HydrophobicContact CG1-CD2 3.67Å |
| 221 | W | 97.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | 171.2 | 174.4 | -76.4 | 0 | 0 | 0 | 111.1 | M201 A202 P203 K217 C218 L223 G224 I225 L249 Y254 P256 L277 | M201-W221 PolarHBondContact O-NE1 3.13Å; M201-W221 VanDerWaalsContact O-NE1 3.09Å; A202-W221 VanDerWaalsContact CA-CD1 3.44Å; A202-W221 HydrophobicContact CB-CB 3.72Å; A202-W221 HydrophobicContact CB-CD2 4.09Å; A202-W221 HydrophobicContact CB-CG 3.57Å; P203-W221 HydrophobicContact CG-CE3 4.37Å; P203-W221 HydrophobicContact CG-CH2 3.57Å; P203-W221 HydrophobicContact CG-CZ2 3.81Å; P203-W221 HydrophobicContact CG-CZ3 3.84Å; K217-W221 PolarHBondContact O-N 3.3Å; C218-W221 PolarHBondContact O-N 3.39Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 3.37Å; W221-G224 WeakPolarHBondContact O-CA 3.37Å; W221-G224 PolarHBondContact O-N 2.77Å; W221-I225 HydrophobicContact CZ2-CD1 4.39Å; W221-I225 PolarHBondContact O-N 2.88Å; W221-L249 HydrophobicContact CZ2-CD2 4.39Å; W221-Y254 AromaticContact CH2-CE1 3.9Å; W221-Y254 HydrophobicContact CH2-CE1 3.9Å; W221-Y254 HydrophobicContact CZ2-CE1 4.08Å; W221-P256 HydrophobicContact CH2-CB 4.02Å; W221-P256 HydrophobicContact CH2-CG 4.34Å; W221-P256 HydrophobicContact CZ3-CB 4.37Å; W221-P256 HydrophobicContact CZ3-CG 4.45Å; W221-L277 HydrophobicContact CD2-CD2 3.76Å; W221-L277 HydrophobicContact CE3-CB 4.26Å; W221-L277 HydrophobicContact CE3-CD2 4.09Å; W221-L277 HydrophobicContact CG-CD2 4.15Å; W221-L277 HydrophobicContact CH2-CB 4.36Å; W221-L277 HydrophobicContact CH2-CD2 4.39Å; W221-L277 HydrophobicContact CZ2-CD2 4.12Å; W221-L277 VanDerWaalsContact CZ3-C 3.47Å; W221-L277 HydrophobicContact CZ3-CB 4.06Å; W221-L277 HydrophobicContact CZ3-CD2 4.4Å; W221-L277 WeakPolarHBondContact CZ3-O 3.46Å |
| 222 | A | 97 | Very high | 90.9 | Very high | 6 Ų | 6 | 11.2 Ų | 11.2 | 5% | 0.05 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | I160 W200 C218 D219 I225 T226 | I160-A222 HydrophobicContact CB-CB 3.92Å; W200-A222 HydrophobicContact CB-CB 4.34Å; W200-A222 WeakPolarHBondContact O-CA 3.29Å; W200-A222 WeakPolarHBondContact O-CB 3.37Å; C218-A222 WeakPolarHBondContact O-CB 3.29Å; C218-A222 PolarHBondContact O-N 2.87Å; D219-A222 PolarHBondContact O-N 2.93Å; A222-I225 PolarHBondContact O-N 2.99Å; A222-T226 WeakPolarHBondContact O-CB 3.36Å; A222-T226 PolarHBondContact O-N 3.02Å; A222-T226 PolarHBondContact O-OG1 3.07Å |
| 223 | L | 98.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 169 | -179.1 | 64.6 | 0 | 0 | 0 | 112.9 | T143 L144 I147 I160 D219 W221 I225 T226 A227 F272 | T143-L223 HydrophobicContact CG2-CD1 3.96Å; L144-L223 HydrophobicContact CD1-CD2 4.17Å; L144-L223 HydrophobicContact CD2-CD2 3.66Å; L144-L223 HydrophobicContact CG-CD2 3.46Å; L144-L223 VanDerWaalsContact CG-CD2 3.46Å; I147-L223 HydrophobicContact CD1-CB 4.45Å; I147-L223 HydrophobicContact CD1-CD2 4.47Å; I160-L223 HydrophobicContact CG2-CB 4.25Å; I160-L223 HydrophobicContact CG2-CD1 4.47Å; D219-L223 PolarHBondContact O-N 3.09Å; W221-L223 VanDerWaalsContact C-N 3.26Å; W221-L223 PolarHBondContact O-N 3.37Å; L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 2.96Å; L223-T226 CarbonylContact O-C 3.18Å; L223-T226 WeakPolarHBondContact O-CA 3.47Å; L223-T226 WeakPolarHBondContact O-CB 3.35Å; L223-T226 PolarHBondContact O-N 3.38Å; L223-T226 VanDerWaalsContact O-N 3.08Å; L223-A227 PolarHBondContact O-N 3Å; L223-F272 HydrophobicContact CD2-CZ 4.32Å |
| 224 | G | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.7 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V220 W221 A227 I228 L273 S276 | V220-G224 PolarHBondContact O-N 3.33Å; V220-G224 VanDerWaalsContact O-N 3.15Å; W221-G224 WeakPolarHBondContact O-CA 3.37Å; W221-G224 PolarHBondContact O-N 2.77Å; G224-A227 PolarHBondContact O-N 2.87Å; G224-I228 PolarHBondContact O-N 3.4Å; G224-L273 VanDerWaalsContact O-CD2 3.29Å; G224-L273 WeakPolarHBondContact O-CD2 3.45Å; G224-S276 WeakPolarHBondContact CA-OG 3.35Å |
| 225 | I | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 172.5 | -59.8 | -62 | 0 | 0 | 0 | 111.5 | W200 W221 A222 L223 A227 I228 E229 P235 P236 P257 L277 | W200-I225 HydrophobicContact CB-CG2 4.33Å; W200-I225 HydrophobicContact CD2-CG2 4.42Å; W200-I225 HydrophobicContact CG-CB 4.37Å; W200-I225 HydrophobicContact CG-CG2 3.84Å; W221-I225 HydrophobicContact CZ2-CD1 4.39Å; W221-I225 PolarHBondContact O-N 2.88Å; A222-I225 PolarHBondContact O-N 2.99Å; L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 2.96Å; I225-A227 VanDerWaalsContact C-N 3.3Å; I225-A227 PolarHBondContact O-N 2.98Å; I225-I228 CarbonylContact O-C 3.59Å; I225-I228 PolarHBondContact O-N 3.48Å; I225-I228 VanDerWaalsContact O-N 3.15Å; I225-E229 PolarHBondContact O-N 2.95Å; I225-P235 HydrophobicContact CG2-CB 3.56Å; I225-P236 HydrophobicContact CD1-CG 4.21Å; I225-P257 HydrophobicContact CD1-CG 3.6Å; I225-L277 HydrophobicContact CD1-CD2 3.65Å; I225-L277 HydrophobicContact CG1-CD2 3.89Å |
| 226 | T | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64 | -33.3 | 177.3 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | I160 K161 I165 A222 L223 E229 Y230 | I160-T226 PolarHBondContact O-OG1 3.19Å; K161-T226 WeakPolarHBondContact CA-OG1 3.47Å; I165-T226 HydrophobicContact CD1-CG2 3.91Å; A222-T226 WeakPolarHBondContact O-CB 3.36Å; A222-T226 PolarHBondContact O-N 3.02Å; A222-T226 PolarHBondContact O-OG1 3.07Å; L223-T226 CarbonylContact O-C 3.18Å; L223-T226 WeakPolarHBondContact O-CA 3.47Å; L223-T226 WeakPolarHBondContact O-CB 3.35Å; L223-T226 PolarHBondContact O-N 3.38Å; L223-T226 VanDerWaalsContact O-N 3.08Å; T226-E229 WeakPolarHBondContact O-CB 3.5Å; T226-E229 PolarHBondContact O-N 3.4Å; T226-Y230 HydrophobicContact CG2-CE1 3.82Å; T226-Y230 HydrophobicContact CG2-CE2 3.93Å; T226-Y230 VanDerWaalsContact CG2-CZ 3.48Å; T226-Y230 WeakPolarHBondContact CG2-OH 3.28Å; T226-Y230 VanDerWaalsContact O-CG 3.29Å; T226-Y230 PolarHBondContact O-N 2.78Å |
| 227 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -70.8 | -33.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | I136 L223 G224 I225 A231 F269 F272 L273 | I136-A227 HydrophobicContact CG2-CB 3.97Å; L223-A227 PolarHBondContact O-N 3Å; G224-A227 PolarHBondContact O-N 2.87Å; I225-A227 VanDerWaalsContact C-N 3.3Å; I225-A227 PolarHBondContact O-N 2.98Å; A227-A231 WeakPolarHBondContact O-CB 3.47Å; A227-A231 PolarHBondContact O-N 2.7Å; A227-F269 HydrophobicContact CB-CE2 3.86Å; A227-F269 HydrophobicContact CB-CZ 4.18Å; A227-F272 HydrophobicContact CB-CE1 4.39Å; A227-L273 HydrophobicContact CB-CD2 4.06Å |
| 228 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | 168.8 | -62.2 | 175.3 | 0 | 0 | 0 | 110.8 | G224 I225 Y230 A231 E232 P236 P257 L259 L273 L277 | G224-I228 PolarHBondContact O-N 3.4Å; I225-I228 CarbonylContact O-C 3.59Å; I225-I228 PolarHBondContact O-N 3.48Å; I225-I228 VanDerWaalsContact O-N 3.15Å; I228-Y230 VanDerWaalsContact C-N 3.26Å; I228-Y230 PolarHBondContact O-N 3.17Å; I228-A231 CarbonylContact O-C 3.53Å; I228-A231 PolarHBondContact O-N 3.14Å; I228-E232 HydrophobicContact CG2-CB 4.44Å; I228-E232 HydrophobicContact CG2-CG 4.01Å; I228-E232 PolarHBondContact O-N 2.92Å; I228-P236 HydrophobicContact CD1-CG 4.15Å; I228-P236 HydrophobicContact CG2-CG 4.02Å; I228-P257 HydrophobicContact CD1-CB 4.29Å; I228-P257 HydrophobicContact CD1-CG 4.26Å; I228-L259 HydrophobicContact CB-CD2 4.44Å; I228-L259 HydrophobicContact CG1-CD2 4.07Å; I228-L259 HydrophobicContact CG2-CD2 4.3Å; I228-L273 HydrophobicContact CD1-CD1 4.32Å; I228-L273 HydrophobicContact CD1-CD2 4.4Å; I228-L273 HydrophobicContact CG1-CD1 3.86Å; I228-L273 HydrophobicContact CG1-CD2 3.92Å; I228-L277 HydrophobicContact CD1-CD1 3.72Å |
| 229 | E | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.6 | -41.2 | 174.2 | 175.9 | -167.2 | -179.5 | 0 | 0 | 111.8 | Q121 Y124 G162 W200 I225 T226 L233 Q234 | Q121-E229 PolarHBondContact NE2-OE1 3.05Å; Y124-E229 HydrophobicContact CE1-CG 3.72Å; Y124-E229 WeakPolarHBondContact OH-CG 3.4Å; Y124-E229 PolarHBondContact OH-OE1 2.76Å; G162-E229 VanDerWaalsContact CA-OE1 3.28Å; G162-E229 WeakPolarHBondContact CA-OE1 3.39Å; G162-E229 PolarHBondContact N-OE1 3.28Å; G162-E229 VanDerWaalsContact N-OE1 3.14Å; G162-E229 PolarHBondContact N-OE2 3.11Å; W200-E229 HydrophobicContact CZ2-CG 4.23Å; W200-E229 WeakPolarHBondContact CZ2-OE2 3.49Å; W200-E229 PolarHBondContact NE1-OE2 3.4Å; I225-E229 PolarHBondContact O-N 2.95Å; T226-E229 WeakPolarHBondContact O-CB 3.5Å; T226-E229 PolarHBondContact O-N 3.4Å; E229-L233 CarbonylContact O-C 3.07Å; E229-L233 WeakPolarHBondContact O-CA 3.45Å; E229-L233 PolarHBondContact O-N 2.87Å; E229-Q234 PolarHBondContact O-N 2.92Å |
| 230 | Y | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73.1 | -27.8 | 175.8 | -61.5 | -17.7 | 0 | 0 | 0 | 114.3 | M120 Y124 I131 I136 V139 I165 T226 I228 | M120-Y230 HydrophobicContact CB-CE1 3.54Å; M120-Y230 WeakPolarHBondContact CB-OH 3.37Å; M120-Y230 HydrophobicContact CE-CD2 4.35Å; M120-Y230 HydrophobicContact CE-CE1 4.25Å; M120-Y230 HydrophobicContact CE-CE2 4.01Å; M120-Y230 HydrophobicContact CG-CE1 4.34Å; M120-Y230 WeakPolarHBondContact CG-OH 3.05Å; Y124-Y230 AromaticContact CD1-CD1 4Å; Y124-Y230 HydrophobicContact CD1-CD1 4Å; Y124-Y230 HydrophobicContact CD1-CE1 4.42Å; Y124-Y230 HydrophobicContact CE1-CD1 4.15Å; Y124-Y230 HydrophobicContact CE1-CE1 4.43Å; I131-Y230 HydrophobicContact CD1-CD1 4.1Å; I131-Y230 HydrophobicContact CD1-CG 3.97Å; I131-Y230 PolarHBondContact N-O 3.29Å; I136-Y230 HydrophobicContact CG1-CD2 4.32Å; I136-Y230 HydrophobicContact CG2-CD2 4.34Å; V139-Y230 HydrophobicContact CB-CE2 4.41Å; V139-Y230 HydrophobicContact CG1-CE2 3.78Å; I165-Y230 WeakPolarHBondContact CD1-OH 3.25Å; T226-Y230 HydrophobicContact CG2-CE1 3.82Å; T226-Y230 HydrophobicContact CG2-CE2 3.93Å; T226-Y230 VanDerWaalsContact CG2-CZ 3.48Å; T226-Y230 WeakPolarHBondContact CG2-OH 3.28Å; T226-Y230 VanDerWaalsContact O-CG 3.29Å; T226-Y230 PolarHBondContact O-N 2.78Å; I228-Y230 VanDerWaalsContact C-N 3.26Å; I228-Y230 PolarHBondContact O-N 3.17Å |
| 231 | A | 97 | Very high | 94.2 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -86.1 | -27.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P130 I136 A227 I228 L259 W265 F269 | P130-A231 WeakPolarHBondContact CB-O 3.32Å; P130-A231 WeakPolarHBondContact CG-O 3.47Å; I136-A231 HydrophobicContact CD1-CB 4.09Å; A227-A231 WeakPolarHBondContact O-CB 3.47Å; A227-A231 PolarHBondContact O-N 2.7Å; I228-A231 CarbonylContact O-C 3.53Å; I228-A231 PolarHBondContact O-N 3.14Å; A231-L259 HydrophobicContact CB-CD2 3.54Å; A231-W265 HydrophobicContact CB-CH2 3.86Å; A231-W265 HydrophobicContact CB-CZ2 3.57Å; A231-F269 HydrophobicContact CB-CE1 4.13Å; A231-F269 HydrophobicContact CB-CZ 4.26Å |
| 232 | E | 95.8 | Very high | 93.2 | Very high | 31 Ų | 31 | 27.4 Ų | 27.4 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -122.2 | 5.6 | -173.7 | -56.4 | -166.5 | 159.7 | 0 | 0 | 113.9 | I228 Q234 L259 R260 | I228-E232 HydrophobicContact CG2-CB 4.44Å; I228-E232 HydrophobicContact CG2-CG 4.01Å; I228-E232 PolarHBondContact O-N 2.92Å; E232-Q234 PolarHBondContact O-N 2.85Å; E232-Q234 VanDerWaalsContact O-N 3.09Å; E232-L259 HydrophobicContact CG-CD2 4.27Å; E232-L259 WeakPolarHBondContact OE1-CA 3.47Å; E232-R260 VanDerWaalsContact CD-NE 3.33Å; E232-R260 WeakPolarHBondContact OE1-CB 3.49Å; E232-R260 WeakPolarHBondContact OE1-CG 3.45Å; E232-R260 PolarHBondContact OE1-N 3.21Å; E232-R260 IonicContact OE1-NE 2.76Å; E232-R260 PolarHBondContact OE1-NE 3.02Å; E232-R260 IonicContact OE2-CZ 3.25Å; E232-R260 IonicContact OE2-NE 3.41Å; E232-R260 PolarHBondContact OE2-NE 3.43Å; E232-R260 IonicContact OE2-NH2 3.73Å; E232-R260 PolarHBondContact OE2-NH2 3.44Å |
| 233 | L | 95 | Very high | 91.7 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 29% | 0.293 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 62.9 | 1.4 | -175.9 | -58.8 | 173.2 | 0 | 0 | 0 | 115.8 | Y124 E229 | Y124-L233 HydrophobicContact CD2-CB 4.41Å; Y124-L233 HydrophobicContact CD2-CD2 3.58Å; Y124-L233 HydrophobicContact CE2-CB 4.48Å; Y124-L233 HydrophobicContact CE2-CD2 4.42Å; Y124-L233 VanDerWaalsContact CE2-O 3.24Å; Y124-L233 WeakPolarHBondContact CE2-O 3.13Å; Y124-L233 HydrophobicContact CG-CD2 3.97Å; E229-L233 CarbonylContact O-C 3.07Å; E229-L233 WeakPolarHBondContact O-CA 3.45Å; E229-L233 PolarHBondContact O-N 2.87Å |
| 234 | Q | 94.5 | Very high | 90.7 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -157.2 | 151.7 | -179.7 | 64.9 | -167.2 | -38.2 | 0 | 0 | 109.9 | E229 E232 F238 | E229-Q234 PolarHBondContact O-N 2.92Å; E232-Q234 PolarHBondContact O-N 2.85Å; E232-Q234 VanDerWaalsContact O-N 3.09Å; Q234-F238 HydrophobicContact CB-CB 4.2Å; Q234-F238 HydrophobicContact CB-CD1 3.81Å; Q234-F238 HydrophobicContact CB-CE1 4.43Å; Q234-F238 HydrophobicContact CB-CG 4.23Å |
| 235 | P | 96 | Very high | 89.9 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | trans | -69.7 | 165.5 | 171.6 | 33.3 | -38 | 0 | 0 | 0 | 111.1 | Y199 W200 I225 F238 | Y199-P235 HydrophobicContact CG-CG 4.28Å; W200-P235 HydrophobicContact CD2-CB 4.4Å; W200-P235 HydrophobicContact CD2-CG 4.44Å; W200-P235 HydrophobicContact CE3-CG 4.36Å; W200-P235 HydrophobicContact CH2-CB 4.46Å; W200-P235 HydrophobicContact CH2-CG 3.61Å; W200-P235 HydrophobicContact CZ2-CB 4.1Å; W200-P235 HydrophobicContact CZ2-CG 3.67Å; W200-P235 HydrophobicContact CZ3-CG 3.96Å; I225-P235 HydrophobicContact CG2-CB 3.56Å; P235-F238 HydrophobicContact CG-CB 4.02Å; P235-F238 HydrophobicContact CG-CD2 3.6Å; P235-F238 HydrophobicContact CG-CE2 4.23Å; P235-F238 HydrophobicContact CG-CG 4.02Å; P235-F238 WeakPolarHBondContact O-CB 3.5Å | ||
| 236 | P | 92.8 | Very high | 89 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 148.6 | 169.2 | -23.7 | 35.6 | 0 | 0 | 0 | 112.4 | I225 I228 F238 P257 | I225-P236 HydrophobicContact CD1-CG 4.21Å; I228-P236 HydrophobicContact CD1-CG 4.15Å; I228-P236 HydrophobicContact CG2-CG 4.02Å; P236-F238 PolarHBondContact O-N 2.99Å; P236-P257 HydrophobicContact CB-CB 3.78Å; P236-P257 HydrophobicContact CB-CG 4.24Å; P236-P257 HydrophobicContact CG-CB 3.5Å; P236-P257 VanDerWaalsContact CG-CB 3.5Å; P236-P257 HydrophobicContact CG-CG 3.76Å |
| 237 | L | 90.8 | Very high | 88 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 13.1 | 178.1 | -46.9 | 177.5 | 0 | 0 | 0 | 115.4 | Y199 D239 L240 A245 I248 | Y199-L237 WeakPolarHBondContact CD1-O 3.21Å; Y199-L237 WeakPolarHBondContact CE1-O 3.32Å; L237-D239 WeakPolarHBondContact CA-OD1 3.3Å; L237-D239 PolarHBondContact O-N 2.73Å; L237-L240 HydrophobicContact CB-CD1 4.18Å; L237-L240 HydrophobicContact CB-CG 4.43Å; L237-L240 HydrophobicContact CD2-CD1 3.99Å; L237-L240 WeakPolarHBondContact O-CB 3.36Å; L237-L240 PolarHBondContact O-N 3.05Å; L237-A245 HydrophobicContact CB-CB 3.96Å; L237-A245 HydrophobicContact CD1-CB 4.11Å; L237-I248 HydrophobicContact CD1-CB 4.5Å; L237-I248 HydrophobicContact CD1-CG2 4.08Å |
| 238 | F | 89.7 | Confident | 87.3 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 24% | 0.237 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23 | -176.5 | -163.2 | -123.4 | 0 | 0 | 0 | 114.6 | Y199 W200 Q234 P235 P236 L240 | Y199-F238 HydrophobicContact CD1-CD2 4.46Å; Y199-F238 AromaticContact CD2-CD2 3.73Å; Y199-F238 HydrophobicContact CD2-CD2 3.73Å; Y199-F238 HydrophobicContact CD2-CE2 4.12Å; Y199-F238 HydrophobicContact CE1-CD2 4.47Å; Y199-F238 AromaticContact CE2-CD2 3.73Å; Y199-F238 HydrophobicContact CE2-CD2 3.73Å; Y199-F238 HydrophobicContact CE2-CE2 4.06Å; Y199-F238 HydrophobicContact CG-CD2 4.08Å; W200-F238 HydrophobicContact CH2-CE2 4.24Å; Q234-F238 HydrophobicContact CB-CB 4.2Å; Q234-F238 HydrophobicContact CB-CD1 3.81Å; Q234-F238 HydrophobicContact CB-CE1 4.43Å; Q234-F238 HydrophobicContact CB-CG 4.23Å; P235-F238 HydrophobicContact CG-CB 4.02Å; P235-F238 HydrophobicContact CG-CD2 3.6Å; P235-F238 HydrophobicContact CG-CE2 4.23Å; P235-F238 HydrophobicContact CG-CG 4.02Å; P235-F238 WeakPolarHBondContact O-CB 3.5Å; P236-F238 PolarHBondContact O-N 2.99Å; F238-L240 VanDerWaalsContact C-N 3.31Å |
| 239 | D | 87.3 | Confident | 86.6 | Confident | 126 Ų | 126 | 46.9 Ų | 46.9 | 67% | 0.674 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -32.7 | 168.9 | 60.7 | -63.5 | 0 | 0 | 0 | 112.4 | L237 | L237-D239 WeakPolarHBondContact CA-OD1 3.3Å; L237-D239 PolarHBondContact O-N 2.73Å |
| 240 | L | 81.8 | Confident | 85.7 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -79.1 | 147.8 | 179.9 | -54.2 | -174.8 | 0 | 0 | 0 | 111.1 | Y199 L237 F238 R244 I248 | Y199-L240 WeakPolarHBondContact CE1-O 3.29Å; Y199-L240 PolarHBondContact OH-O 2.91Å; L237-L240 HydrophobicContact CB-CD1 4.18Å; L237-L240 HydrophobicContact CB-CG 4.43Å; L237-L240 HydrophobicContact CD2-CD1 3.99Å; L237-L240 WeakPolarHBondContact O-CB 3.36Å; L237-L240 PolarHBondContact O-N 3.05Å; F238-L240 VanDerWaalsContact C-N 3.31Å; L240-R244 HydrophobicContact CB-CB 4.36Å; L240-R244 HydrophobicContact CD1-CG 4.25Å; L240-I248 HydrophobicContact CD1-CD1 3.53Å |
| 241 | H | 78.7 | Confident | 85 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 44% | 0.44 | 25% | 0.252 | S | S | . | . | trans | -55.5 | 138.3 | 167.8 | -167 | -110.6 | 0 | 0 | 0 | 109.8 | M243 R244 A245 | H241-M243 PolarHBondContact O-N 3.22Å; H241-R244 WeakPolarHBondContact O-CA 3.49Å; H241-R244 WeakPolarHBondContact O-CB 3.44Å; H241-R244 PolarHBondContact O-N 3.29Å; H241-A245 PolarHBondContact O-N 3.5Å | ||
| 242 | P | 75.2 | Confident | 84.2 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.4 | -34.9 | -171.1 | -25.7 | 29.9 | 0 | 0 | 0 | 113.7 | P198 Y199 A245 L246 | P198-P242 HydrophobicContact CB-CB 3.97Å; P198-P242 HydrophobicContact CG-CB 3.92Å; Y199-P242 HydrophobicContact CE2-CB 4.45Å; Y199-P242 HydrophobicContact CE2-CG 4.13Å; Y199-P242 VanDerWaalsContact OH-CD 3.31Å; Y199-P242 WeakPolarHBondContact OH-CD 3.37Å; Y199-P242 WeakPolarHBondContact OH-CG 3.36Å; P242-A245 PolarHBondContact O-N 3.03Å; P242-L246 WeakPolarHBondContact O-CG 3.44Å; P242-L246 PolarHBondContact O-N 3.28Å |
| 243 | M | 65.5 | Low | 83.6 | Confident | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.6 | -27 | 178.9 | -57.2 | -60 | 103.5 | 0 | 0 | 113.9 | P198 H241 L246 R247 F2047 V2050 I2054 | P198-M243 HydrophobicContact CG-CE 4.29Å; H241-M243 PolarHBondContact O-N 3.22Å; M243-L246 HydrophobicContact CE-CD1 3.27Å; M243-L246 HydrophobicContact CE-CG 4.44Å; M243-L246 HydrophobicContact SD-CD1 3.83Å; M243-R247 WeakPolarHBondContact O-CB 3.06Å; M243-R247 PolarHBondContact O-N 3.29Å; M243-F2047 HydrophobicContact CG-CD1 4.33Å; M243-F2047 HydrophobicContact SD-CD1 3.55Å; M243-F2047 VanDerWaalsContact SD-CD1 3.55Å; M243-F2047 HydrophobicContact SD-CE1 3.53Å; M243-F2047 VanDerWaalsContact SD-CE1 3.53Å; M243-V2050 HydrophobicContact CE-CG1 3.32Å; M243-V2050 HydrophobicContact CG-CG1 3.71Å; M243-V2050 HydrophobicContact CG-CG2 4.08Å; M243-V2050 HydrophobicContact SD-CB 4.42Å; M243-V2050 HydrophobicContact SD-CG1 3.42Å; M243-V2050 WeakPolarHBondContact SD-CG1 3.47Å; M243-V2050 HydrophobicContact SD-CG2 4.2Å; M243-I2054 HydrophobicContact CB-CD1 3.84Å; M243-I2054 HydrophobicContact CG-CD1 3.74Å |
| 244 | R | 77.8 | Confident | 83.3 | Confident | 164 Ų | 164 | 65.7 Ų | 65.7 | 62% | 0.619 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -73.5 | -40.6 | 171.9 | -172.4 | 174.2 | 176.8 | 165.4 | -0.6 | 110 | L240 H241 R247 I248 | L240-R244 HydrophobicContact CB-CB 4.36Å; L240-R244 HydrophobicContact CD1-CG 4.25Å; H241-R244 WeakPolarHBondContact O-CA 3.49Å; H241-R244 WeakPolarHBondContact O-CB 3.44Å; H241-R244 PolarHBondContact O-N 3.29Å; R244-R247 PolarHBondContact O-N 3.07Å; R244-I248 HydrophobicContact CG-CD1 4.26Å; R244-I248 WeakPolarHBondContact O-CD1 3.31Å; R244-I248 VanDerWaalsContact O-CG1 3.31Å; R244-I248 WeakPolarHBondContact O-CG1 3.46Å; R244-I248 PolarHBondContact O-N 2.69Å |
| 245 | A | 82.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y199 L237 H241 P242 I248 L249 | Y199-A245 HydrophobicContact CD1-CB 3.97Å; Y199-A245 HydrophobicContact CE1-CB 3.97Å; L237-A245 HydrophobicContact CB-CB 3.96Å; L237-A245 HydrophobicContact CD1-CB 4.11Å; H241-A245 PolarHBondContact O-N 3.5Å; P242-A245 PolarHBondContact O-N 3.03Å; A245-I248 WeakPolarHBondContact O-CB 3.43Å; A245-I248 PolarHBondContact O-N 3.46Å; A245-L249 WeakPolarHBondContact O-CG 3.37Å; A245-L249 PolarHBondContact O-N 3.46Å |
| 246 | L | 78.1 | Confident | 83 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 175.2 | -68.1 | 169 | 0 | 0 | 0 | 114 | F194 P198 M201 A206 P242 M243 I248 L249 G250 | F194-L246 HydrophobicContact CE1-CD1 3.99Å; F194-L246 HydrophobicContact CE2-CD1 3.49Å; F194-L246 VanDerWaalsContact CE2-CD1 3.49Å; F194-L246 HydrophobicContact CE2-CD2 3.74Å; F194-L246 HydrophobicContact CE2-CG 4.24Å; F194-L246 HydrophobicContact CZ-CD1 3.15Å; F194-L246 HydrophobicContact CZ-CD2 3.67Å; F194-L246 HydrophobicContact CZ-CG 4.01Å; P198-L246 HydrophobicContact CB-CD1 4.12Å; P198-L246 HydrophobicContact CB-CD2 3.98Å; P198-L246 HydrophobicContact CB-CG 3.94Å; P198-L246 HydrophobicContact CG-CD1 4.32Å; M201-L246 HydrophobicContact SD-CD2 3.79Å; A206-L246 HydrophobicContact CB-CD2 3.84Å; P242-L246 WeakPolarHBondContact O-CG 3.44Å; P242-L246 PolarHBondContact O-N 3.28Å; M243-L246 HydrophobicContact CE-CD1 3.27Å; M243-L246 HydrophobicContact CE-CG 4.44Å; M243-L246 HydrophobicContact SD-CD1 3.83Å; L246-I248 PolarHBondContact O-N 2.96Å; L246-L249 HydrophobicContact CD2-CD1 4.17Å; L246-L249 PolarHBondContact O-N 2.81Å; L246-G250 PolarHBondContact O-N 2.86Å |
| 247 | R | 76.4 | Confident | 83.1 | Confident | 167 Ų | 167 | 72.4 Ų | 72.4 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57 | -39.5 | 175.3 | -175.1 | 177 | -73.4 | 173.7 | -2.8 | 110.1 | M243 R244 M251 | M243-R247 WeakPolarHBondContact O-CB 3.06Å; M243-R247 PolarHBondContact O-N 3.29Å; R244-R247 PolarHBondContact O-N 3.07Å; R247-M251 WeakPolarHBondContact O-CG 3.02Å |
| 248 | I | 84 | Confident | 83.3 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.8 | -53.1 | 173.9 | -69.7 | 163.8 | 0 | 0 | 0 | 111.5 | L237 L240 R244 A245 L246 G250 M251 Y254 | L237-I248 HydrophobicContact CD1-CB 4.5Å; L237-I248 HydrophobicContact CD1-CG2 4.08Å; L240-I248 HydrophobicContact CD1-CD1 3.53Å; R244-I248 HydrophobicContact CG-CD1 4.26Å; R244-I248 WeakPolarHBondContact O-CD1 3.31Å; R244-I248 VanDerWaalsContact O-CG1 3.31Å; R244-I248 WeakPolarHBondContact O-CG1 3.46Å; R244-I248 PolarHBondContact O-N 2.69Å; A245-I248 WeakPolarHBondContact O-CB 3.43Å; A245-I248 PolarHBondContact O-N 3.46Å; L246-I248 PolarHBondContact O-N 2.96Å; I248-G250 PolarHBondContact O-N 2.85Å; I248-M251 WeakPolarHBondContact O-CB 3.47Å; I248-M251 PolarHBondContact O-N 2.92Å; I248-Y254 HydrophobicContact CG2-CD2 3.62Å; I248-Y254 HydrophobicContact CG2-CE2 4Å; I248-Y254 WeakPolarHBondContact O-CB 3.44Å |
| 249 | L | 84.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.6 | -40.3 | 178.7 | -78.5 | 159 | 0 | 0 | 0 | 112.7 | P203 A206 W221 A245 L246 M251 Y254 | P203-L249 HydrophobicContact CG-CD2 4.28Å; A206-L249 HydrophobicContact CB-CB 3.75Å; W221-L249 HydrophobicContact CZ2-CD2 4.39Å; A245-L249 WeakPolarHBondContact O-CG 3.37Å; A245-L249 PolarHBondContact O-N 3.46Å; L246-L249 HydrophobicContact CD2-CD1 4.17Å; L246-L249 PolarHBondContact O-N 2.81Å; L249-M251 VanDerWaalsContact C-N 3.27Å; L249-M251 PolarHBondContact O-N 3.05Å; L249-Y254 HydrophobicContact CD2-CD1 4.38Å; L249-Y254 HydrophobicContact CD2-CE1 3.64Å; L249-Y254 HydrophobicContact CD2-CE2 4.27Å; L249-Y254 WeakPolarHBondContact CD2-OH 3.4Å |
| 250 | G | 78.8 | Confident | 83.7 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 24% | 0.237 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -6.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L246 I248 | L246-G250 PolarHBondContact O-N 2.86Å; I248-G250 PolarHBondContact O-N 2.85Å |
| 251 | M | 82.4 | Confident | 84.1 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -75.6 | 139.6 | -180 | -71.5 | 167.6 | 75.6 | 0 | 0 | 112.1 | R247 I248 L249 S253 Y254 K279 | R247-M251 WeakPolarHBondContact O-CG 3.02Å; I248-M251 WeakPolarHBondContact O-CB 3.47Å; I248-M251 PolarHBondContact O-N 2.92Å; L249-M251 VanDerWaalsContact C-N 3.27Å; L249-M251 PolarHBondContact O-N 3.05Å; M251-S253 PolarHBondContact O-N 2.81Å; M251-Y254 WeakPolarHBondContact O-CB 3.45Å; M251-Y254 PolarHBondContact O-N 2.84Å; M251-Y254 VanDerWaalsContact O-N 3.12Å; M251-K279 PolarHBondContact O-NZ 3.44Å |
| 252 | R | 79.4 | Confident | 84.6 | Confident | 252 Ų | 252 | 78.1 Ų | 78.1 | 95% | 0.951 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.3 | 173.6 | -71.5 | -173.9 | 179.5 | -178.1 | -0.1 | 111.7 | Y254 K279 | R252-Y254 PolarHBondContact O-N 3.01Å; R252-K279 PolarHBondContact O-NZ 3.24Å |
| 253 | S | 83.3 | Confident | 85.3 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.9 | 178.6 | 49.6 | 0 | 0 | 0 | 0 | 116 | M251 K255 | M251-S253 PolarHBondContact O-N 2.81Å; S253-K255 PolarHBondContact O-N 3.41Å; S253-K255 VanDerWaalsContact O-N 3.15Å |
| 254 | Y | 88.7 | Confident | 86.6 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 11% | 0.11 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 119.4 | 179.3 | 173.5 | -107.8 | 0 | 0 | 0 | 111.8 | P203 W221 I248 L249 M251 R252 P257 K279 | P203-Y254 HydrophobicContact CG-CD1 4.05Å; P203-Y254 HydrophobicContact CG-CE1 3.87Å; W221-Y254 AromaticContact CH2-CE1 3.9Å; W221-Y254 HydrophobicContact CH2-CE1 3.9Å; W221-Y254 HydrophobicContact CZ2-CE1 4.08Å; I248-Y254 HydrophobicContact CG2-CD2 3.62Å; I248-Y254 HydrophobicContact CG2-CE2 4Å; I248-Y254 WeakPolarHBondContact O-CB 3.44Å; L249-Y254 HydrophobicContact CD2-CD1 4.38Å; L249-Y254 HydrophobicContact CD2-CE1 3.64Å; L249-Y254 HydrophobicContact CD2-CE2 4.27Å; L249-Y254 WeakPolarHBondContact CD2-OH 3.4Å; M251-Y254 WeakPolarHBondContact O-CB 3.45Å; M251-Y254 PolarHBondContact O-N 2.84Å; M251-Y254 VanDerWaalsContact O-N 3.12Å; R252-Y254 PolarHBondContact O-N 3.01Å; Y254-P257 WeakPolarHBondContact OH-CD 3.34Å; Y254-K279 WeakPolarHBondContact O-CD 3.48Å; Y254-K279 WeakPolarHBondContact O-CE 3.46Å; Y254-K279 PolarHBondContact O-NZ 2.8Å |
| 255 | K | 91.2 | Very high | 87.4 | Confident | 155 Ų | 155 | 80.6 Ų | 80.6 | 67% | 0.674 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -87.1 | 137.9 | 170.2 | -63.6 | -166.4 | 176.5 | -165.4 | 0 | 108.7 | S253 | S253-K255 PolarHBondContact O-N 3.41Å; S253-K255 VanDerWaalsContact O-N 3.15Å |
| 256 | P | 93.7 | Very high | 88.1 | Confident | 51 Ų | 51 | 82.4 Ų | 82.4 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 152.1 | 173.1 | -26.9 | 36.1 | 0 | 0 | 0 | 112.8 | W221 L277 K279 | W221-P256 HydrophobicContact CH2-CB 4.02Å; W221-P256 HydrophobicContact CH2-CG 4.34Å; W221-P256 HydrophobicContact CZ3-CB 4.37Å; W221-P256 HydrophobicContact CZ3-CG 4.45Å; P256-L277 HydrophobicContact CB-CB 4.17Å; P256-L277 VanDerWaalsContact CB-O 3.25Å; P256-L277 WeakPolarHBondContact CB-O 3.36Å; P256-L277 VanDerWaalsContact CG-O 3.24Å; P256-L277 WeakPolarHBondContact CG-O 3.42Å; P256-K279 HydrophobicContact CG-CB 4.05Å |
| 257 | P | 94.6 | Very high | 89 | Confident | 19 Ų | 19 | 87.7 Ų | 87.7 | 12% | 0.123 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 155.7 | -178.9 | 29.8 | -25.9 | 0 | 0 | 0 | 111.2 | I225 I228 P236 Y254 L277 | I225-P257 HydrophobicContact CD1-CG 3.6Å; I228-P257 HydrophobicContact CD1-CB 4.29Å; I228-P257 HydrophobicContact CD1-CG 4.26Å; P236-P257 HydrophobicContact CB-CB 3.78Å; P236-P257 HydrophobicContact CB-CG 4.24Å; P236-P257 HydrophobicContact CG-CB 3.5Å; P236-P257 VanDerWaalsContact CG-CB 3.5Å; P236-P257 HydrophobicContact CG-CG 3.76Å; Y254-P257 WeakPolarHBondContact OH-CD 3.34Å; P257-L277 HydrophobicContact CG-CD1 4.03Å; P257-L277 WeakPolarHBondContact O-CD1 3.35Å |
| 258 | V | 94.9 | Very high | 89.9 | Confident | 96 Ų | 96 | 83 Ų | 83 | 58% | 0.582 | 42% | 0.416 | S | S | * | . | trans | -134.7 | 160.1 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 108.9 | R260 | V258-R260 PolarHBondContact O-N 2.87Š| ||
| 259 | L | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 40% | 0.404 | C | S | . | . | trans | -62.1 | 130.9 | 173.2 | -64.5 | 163.2 | 0 | 0 | 0 | 109.9 | I228 A231 E232 W265 F269 L273 | I228-L259 HydrophobicContact CB-CD2 4.44Å; I228-L259 HydrophobicContact CG1-CD2 4.07Å; I228-L259 HydrophobicContact CG2-CD2 4.3Å; A231-L259 HydrophobicContact CB-CD2 3.54Å; E232-L259 HydrophobicContact CG-CD2 4.27Å; E232-L259 WeakPolarHBondContact OE1-CA 3.47Å; L259-W265 HydrophobicContact CD1-CB 3.9Å; L259-W265 HydrophobicContact CD1-CD2 4.36Å; L259-W265 HydrophobicContact CD1-CG 3.7Å; L259-F269 HydrophobicContact CD1-CD1 3.85Å; L259-F269 HydrophobicContact CD1-CE1 3.75Å; L259-F269 HydrophobicContact CD1-CG 4.32Å; L259-F269 HydrophobicContact CD1-CZ 4.14Å; L259-L273 HydrophobicContact CD1-CD1 3.49Å; L259-L273 VanDerWaalsContact CD1-CD1 3.49Å; L259-L273 HydrophobicContact CD2-CD1 4.13Å; L259-L273 HydrophobicContact CG-CD1 3.51Å | ||
| 260 | R | 91.2 | Very high | 91.2 | Very high | 156 Ų | 156 | 82 Ų | 82 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -60.4 | -56.3 | -175.9 | -73.3 | 175.4 | -111.9 | -161.6 | -4.6 | 111.8 | E232 V258 K262 | E232-R260 VanDerWaalsContact CD-NE 3.33Å; E232-R260 WeakPolarHBondContact OE1-CB 3.49Å; E232-R260 WeakPolarHBondContact OE1-CG 3.45Å; E232-R260 PolarHBondContact OE1-N 3.21Å; E232-R260 IonicContact OE1-NE 2.76Å; E232-R260 PolarHBondContact OE1-NE 3.02Å; E232-R260 IonicContact OE2-CZ 3.25Å; E232-R260 IonicContact OE2-NE 3.41Å; E232-R260 PolarHBondContact OE2-NE 3.43Å; E232-R260 IonicContact OE2-NH2 3.73Å; E232-R260 PolarHBondContact OE2-NH2 3.44Å; V258-R260 PolarHBondContact O-N 2.87Å; R260-K262 PolarHBondContact O-N 2.88Å |
| 261 | N | 89.4 | Confident | 92.1 | Very high | 81 Ų | 81 | 84.1 Ų | 84.1 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -90.5 | 97.3 | 177.4 | -171.6 | -23.8 | 0 | 0 | 0 | 109.9 | S263 L264 W265 | N261-S263 PolarHBondContact O-N 3.08Å; N261-S263 PolarHBondContact OD1-N 2.89Å; N261-S263 PolarHBondContact OD1-OG 2.79Å; N261-S263 VanDerWaalsContact OD1-OG 3.13Å; N261-L264 HydrophobicContact CB-CD1 4.02Å; N261-L264 HydrophobicContact CB-CG 4.37Å; N261-L264 WeakPolarHBondContact ND2-CD1 3.4Å; N261-W265 VanDerWaalsContact O-CD1 3.24Å |
| 262 | K | 89.1 | Confident | 92.9 | Very high | 142 Ų | 142 | 79.7 Ų | 79.7 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -67.8 | -31.6 | -171.9 | -65 | 176.3 | -176 | 170.1 | 0 | 114.2 | R260 H270 | R260-K262 PolarHBondContact O-N 2.88Å; K262-H270 PolarHBondContact O-NE2 2.76Å |
| 263 | S | 90.2 | Very high | 93.8 | Very high | 112 Ų | 112 | 68 Ų | 68 | 78% | 0.783 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -81.5 | -14.3 | -171.8 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | N261 W265 | N261-S263 PolarHBondContact O-N 3.08Å; N261-S263 PolarHBondContact OD1-N 2.89Å; N261-S263 PolarHBondContact OD1-OG 2.79Å; N261-S263 VanDerWaalsContact OD1-OG 3.13Å; S263-W265 VanDerWaalsContact C-N 3.27Å; S263-W265 PolarHBondContact O-N 3.34Å |
| 264 | L | 92 | Very high | 94.4 | Very high | 119 Ų | 119 | 71.6 Ų | 71.6 | 62% | 0.623 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -74.7 | -12.7 | 175.5 | -69.6 | 179 | 0 | 0 | 0 | 114.3 | N261 | N261-L264 HydrophobicContact CB-CD1 4.02Å; N261-L264 HydrophobicContact CB-CG 4.37Å; N261-L264 WeakPolarHBondContact ND2-CD1 3.4Å |
| 265 | W | 96 | Very high | 94.9 | Very high | 36 Ų | 36 | 71.5 Ų | 71.5 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -130.6 | 142.2 | -166.5 | -54.6 | 106.8 | 0 | 0 | 0 | 111.4 | P130 E133 I136 A231 L259 N261 S263 F269 H270 | P130-W265 HydrophobicContact CB-CH2 4.18Å; P130-W265 HydrophobicContact CB-CZ2 4.35Å; E133-W265 HydrophobicContact CB-CE3 4Å; E133-W265 HydrophobicContact CB-CZ3 3.99Å; E133-W265 HydrophobicContact CG-CE3 4.28Å; E133-W265 WeakPolarHBondContact OE2-CA 3.41Å; I136-W265 HydrophobicContact CD1-CH2 4.36Å; I136-W265 HydrophobicContact CD1-CZ3 4.24Å; A231-W265 HydrophobicContact CB-CH2 3.86Å; A231-W265 HydrophobicContact CB-CZ2 3.57Å; L259-W265 HydrophobicContact CD1-CB 3.9Å; L259-W265 HydrophobicContact CD1-CD2 4.36Å; L259-W265 HydrophobicContact CD1-CG 3.7Å; N261-W265 VanDerWaalsContact O-CD1 3.24Å; S263-W265 VanDerWaalsContact C-N 3.27Å; S263-W265 PolarHBondContact O-N 3.34Å; W265-F269 HydrophobicContact CB-CD1 3.98Å; W265-F269 HydrophobicContact CD2-CD1 4.01Å; W265-F269 AromaticContact CD2-CE1 3.99Å; W265-F269 HydrophobicContact CD2-CE1 3.99Å; W265-F269 AromaticContact CE3-CD1 3.7Å; W265-F269 HydrophobicContact CE3-CD1 3.7Å; W265-F269 AromaticContact CE3-CE1 3.71Å; W265-F269 HydrophobicContact CE3-CE1 3.71Å; W265-F269 HydrophobicContact CG-CD1 4.16Å; W265-F269 HydrophobicContact CG-CE1 4.43Å; W265-F269 HydrophobicContact CZ3-CD1 4.49Å; W265-F269 HydrophobicContact CZ3-CE1 4.15Å; W265-H270 PolarHBondContact O-CD2 2.84Å; W265-H270 PolarHBondContact O-NE2 3.09Å |
| 266 | S | 96.5 | Very high | 95.2 | Very high | 40 Ų | 40 | 64.1 Ų | 64.1 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | trans | -68.7 | 154.7 | -174.5 | 84.7 | 0 | 0 | 0 | 0 | 112.6 | E133 K268 F269 H270 | E133-S266 WeakPolarHBondContact OE1-CB 3.22Å; E133-S266 PolarHBondContact OE1-OG 2.7Å; E133-S266 PolarHBondContact OE2-N 2.57Å; S266-K268 PolarHBondContact O-N 2.87Å; S266-K268 VanDerWaalsContact O-N 3.09Å; S266-K268 WeakPolarHBondContact OG-CB 3.37Å; S266-K268 PolarHBondContact OG-N 2.96Å; S266-F269 PolarHBondContact O-N 3.17Å; S266-F269 PolarHBondContact OG-N 2.74Å; S266-H270 PolarHBondContact O-CD2 2.72Å; S266-H270 VanDerWaalsContact O-CD2 3.3Å; S266-H270 PolarHBondContact O-N 3.18Å; S266-H270 VanDerWaalsContact O-N 3.08Å | ||
| 267 | Q | 96.4 | Very high | 95.4 | Very high | 126 Ų | 126 | 61.8 Ų | 61.8 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.1 | -25.2 | 172.7 | -168.4 | 58.4 | 49.6 | 0 | 0 | 112.3 | N271 | Q267-N271 PolarHBondContact NE2-OD1 3.12Å; Q267-N271 VanDerWaalsContact O-CB 3.28Å; Q267-N271 WeakPolarHBondContact O-CB 3.48Å; Q267-N271 PolarHBondContact O-N 2.86Å; Q267-N271 PolarHBondContact O-ND2 3.43Å; Q267-N271 PolarHBondContact O-OD1 3.26Å |
| 268 | K | 97 | Very high | 95.5 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.1 | -47.8 | -172.2 | -177.5 | -166.5 | 0 | 110.8 | S266 N271 F272 H293 E294 F295 | S266-K268 PolarHBondContact O-N 2.87Å; S266-K268 VanDerWaalsContact O-N 3.09Å; S266-K268 WeakPolarHBondContact OG-CB 3.37Å; S266-K268 PolarHBondContact OG-N 2.96Å; K268-N271 PolarHBondContact O-N 3.29Å; K268-F272 WeakPolarHBondContact O-CB 3.41Å; K268-F272 PolarHBondContact O-N 3.48Å; K268-H293 PolarHBondContact O-CE1 2.93Å; K268-E294 HydrophobicContact CD-CG 4.22Å; K268-E294 WeakPolarHBondContact CD-OE2 3.4Å; K268-E294 VanDerWaalsContact CE-CD 3.47Å; K268-E294 WeakPolarHBondContact CE-OE1 3.24Å; K268-E294 WeakPolarHBondContact CE-OE2 3.19Å; K268-E294 WeakPolarHBondContact CG-OE2 3.43Å; K268-E294 IonicContact NZ-OE1 3.68Å; K268-E294 PolarHBondContact NZ-OE1 3.48Å; K268-E294 IonicContact NZ-OE2 2.65Å; K268-F295 HydrophobicContact CB-CB 4.32Å; K268-F295 HydrophobicContact CB-CD2 4.29Å |
| 269 | F | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 175.9 | -167.9 | -170.5 | 0 | 0 | 0 | 111.3 | E133 I136 A227 A231 L259 W265 S266 N271 F272 L273 F295 | E133-F269 HydrophobicContact CG-CB 4.32Å; E133-F269 HydrophobicContact CG-CD1 3.9Å; E133-F269 HydrophobicContact CG-CG 4.33Å; I136-F269 HydrophobicContact CD1-CE1 4.16Å; I136-F269 HydrophobicContact CD1-CZ 4.23Å; I136-F269 HydrophobicContact CG2-CE2 4.2Å; I136-F269 HydrophobicContact CG2-CZ 3.9Å; A227-F269 HydrophobicContact CB-CE2 3.86Å; A227-F269 HydrophobicContact CB-CZ 4.18Å; A231-F269 HydrophobicContact CB-CE1 4.13Å; A231-F269 HydrophobicContact CB-CZ 4.26Å; L259-F269 HydrophobicContact CD1-CD1 3.85Å; L259-F269 HydrophobicContact CD1-CE1 3.75Å; L259-F269 HydrophobicContact CD1-CG 4.32Å; L259-F269 HydrophobicContact CD1-CZ 4.14Å; W265-F269 HydrophobicContact CB-CD1 3.98Å; W265-F269 HydrophobicContact CD2-CD1 4.01Å; W265-F269 AromaticContact CD2-CE1 3.99Å; W265-F269 HydrophobicContact CD2-CE1 3.99Å; W265-F269 AromaticContact CE3-CD1 3.7Å; W265-F269 HydrophobicContact CE3-CD1 3.7Å; W265-F269 AromaticContact CE3-CE1 3.71Å; W265-F269 HydrophobicContact CE3-CE1 3.71Å; W265-F269 HydrophobicContact CG-CD1 4.16Å; W265-F269 HydrophobicContact CG-CE1 4.43Å; W265-F269 HydrophobicContact CZ3-CD1 4.49Å; W265-F269 HydrophobicContact CZ3-CE1 4.15Å; S266-F269 PolarHBondContact O-N 3.17Å; S266-F269 PolarHBondContact OG-N 2.74Å; F269-N271 VanDerWaalsContact C-N 3.3Å; F269-N271 PolarHBondContact O-N 3.18Å; F269-F272 HydrophobicContact CD2-CD1 4.47Å; F269-F272 WeakPolarHBondContact O-CB 3.33Å; F269-F272 PolarHBondContact O-N 3.26Å; F269-F272 VanDerWaalsContact O-N 3.13Å; F269-L273 HydrophobicContact CD2-CD1 4.08Å; F269-L273 HydrophobicContact CD2-CG 3.93Å; F269-L273 HydrophobicContact CE2-CD1 3.78Å; F269-L273 HydrophobicContact CE2-CD2 3.94Å; F269-L273 HydrophobicContact CE2-CG 3.74Å; F269-L273 HydrophobicContact CZ-CD1 4.22Å; F269-L273 WeakPolarHBondContact O-CG 3.3Å; F269-L273 PolarHBondContact O-N 2.96Å; F269-F295 HydrophobicContact CB-CD2 3.87Å; F269-F295 HydrophobicContact CB-CE2 3.45Å; F269-F295 VanDerWaalsContact CB-CE2 3.45Å; F269-F295 HydrophobicContact CB-CZ 4.01Å; F269-F295 HydrophobicContact CD1-CE2 4.32Å; F269-F295 HydrophobicContact CD1-CZ 4.25Å; F269-F295 HydrophobicContact CD2-CD1 4.46Å; F269-F295 HydrophobicContact CD2-CD2 4.48Å; F269-F295 AromaticContact CD2-CE1 3.77Å; F269-F295 HydrophobicContact CD2-CE1 3.77Å; F269-F295 AromaticContact CD2-CE2 3.79Å; F269-F295 HydrophobicContact CD2-CE2 3.79Å; F269-F295 AromaticContact CD2-CZ 3.38Å; F269-F295 HydrophobicContact CD2-CZ 3.38Å; F269-F295 HydrophobicContact CE2-CE1 4.16Å; F269-F295 AromaticContact CE2-CZ 3.9Å; F269-F295 HydrophobicContact CE2-CZ 3.9Å; F269-F295 HydrophobicContact CG-CD2 4.38Å; F269-F295 HydrophobicContact CG-CE1 4.42Å; F269-F295 AromaticContact CG-CE2 3.6Å; F269-F295 HydrophobicContact CG-CE2 3.6Å; F269-F295 AromaticContact CG-CZ 3.61Å; F269-F295 HydrophobicContact CG-CZ 3.61Å |
| 270 | H | 97.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 15% | 0.153 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 174.1 | -72.3 | -68.5 | 0 | 0 | 0 | 112.6 | K262 W265 S266 L273 K274 | K262-H270 PolarHBondContact O-NE2 2.76Å; W265-H270 PolarHBondContact O-CD2 2.84Å; W265-H270 PolarHBondContact O-NE2 3.09Å; S266-H270 PolarHBondContact O-CD2 2.72Å; S266-H270 VanDerWaalsContact O-CD2 3.3Å; S266-H270 PolarHBondContact O-N 3.18Å; S266-H270 VanDerWaalsContact O-N 3.08Å; H270-L273 PolarHBondContact O-N 3.38Å; H270-K274 WeakPolarHBondContact O-CB 3.4Å; H270-K274 PolarHBondContact O-N 2.95Å |
| 271 | N | 97.3 | Very high | 95 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 175.6 | -71.9 | -5.1 | 0 | 0 | 0 | 112.2 | Q267 K268 F269 L273 K274 A275 | Q267-N271 PolarHBondContact NE2-OD1 3.12Å; Q267-N271 VanDerWaalsContact O-CB 3.28Å; Q267-N271 WeakPolarHBondContact O-CB 3.48Å; Q267-N271 PolarHBondContact O-N 2.86Å; Q267-N271 PolarHBondContact O-ND2 3.43Å; Q267-N271 PolarHBondContact O-OD1 3.26Å; K268-N271 PolarHBondContact O-N 3.29Å; F269-N271 VanDerWaalsContact C-N 3.3Å; F269-N271 PolarHBondContact O-N 3.18Å; N271-L273 PolarHBondContact O-N 3.46Å; N271-K274 PolarHBondContact O-N 3.34Å; N271-A275 WeakPolarHBondContact O-CB 3.49Å; N271-A275 PolarHBondContact O-N 3.2Å |
| 272 | F | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.8 | 176.5 | -96.2 | 0 | 0 | 0 | 112 | L144 L223 A227 K268 F269 A275 S276 L290 H293 F295 V296 | L144-F272 HydrophobicContact CD1-CE2 4.09Å; L144-F272 HydrophobicContact CD1-CZ 4.37Å; L223-F272 HydrophobicContact CD2-CZ 4.32Å; A227-F272 HydrophobicContact CB-CE1 4.39Å; K268-F272 WeakPolarHBondContact O-CB 3.41Å; K268-F272 PolarHBondContact O-N 3.48Å; F269-F272 HydrophobicContact CD2-CD1 4.47Å; F269-F272 WeakPolarHBondContact O-CB 3.33Å; F269-F272 PolarHBondContact O-N 3.26Å; F269-F272 VanDerWaalsContact O-N 3.13Å; F272-A275 PolarHBondContact O-N 2.92Å; F272-S276 WeakPolarHBondContact O-CB 3.09Å; F272-S276 PolarHBondContact O-N 3.05Å; F272-S276 PolarHBondContact O-OG 3.2Å; F272-L290 HydrophobicContact CD2-CD1 3.88Å; F272-L290 HydrophobicContact CD2-CD2 4.36Å; F272-L290 HydrophobicContact CD2-CG 4.11Å; F272-L290 HydrophobicContact CE2-CD1 3.98Å; F272-L290 HydrophobicContact CE2-CD2 3.7Å; F272-L290 HydrophobicContact CE2-CG 3.67Å; F272-L290 HydrophobicContact CZ-CD2 4.03Å; F272-L290 HydrophobicContact CZ-CG 4.48Å; F272-H293 VanDerWaalsContact CA-CE1 3.47Å; F272-H293 WeakPolarHBondContact CA-CE1 3.5Å; F272-H293 HydrophobicContact CD2-CB 4.42Å; F272-H293 AromaticContact CD2-ND1 3.89Å; F272-H293 PolarHBondContact N-CE1 2.66Å; F272-F295 HydrophobicContact CB-CB 3.76Å; F272-F295 HydrophobicContact CB-CD1 3.68Å; F272-F295 HydrophobicContact CB-CE1 4.49Å; F272-F295 HydrophobicContact CB-CG 3.85Å; F272-F295 AromaticContact CD1-CD1 3.67Å; F272-F295 HydrophobicContact CD1-CD1 3.67Å; F272-F295 AromaticContact CD1-CE1 3.87Å; F272-F295 HydrophobicContact CD1-CE1 3.87Å; F272-F295 HydrophobicContact CD2-CB 4.21Å; F272-F295 AromaticContact CD2-CD1 3.71Å; F272-F295 HydrophobicContact CD2-CD1 3.71Å; F272-F295 HydrophobicContact CD2-CG 4.4Å; F272-F295 HydrophobicContact CE1-CD1 4.19Å; F272-F295 HydrophobicContact CE1-CE1 4.21Å; F272-F295 HydrophobicContact CE2-CD1 4.21Å; F272-F295 HydrophobicContact CG-CB 4.18Å; F272-F295 AromaticContact CG-CD1 3.4Å; F272-F295 HydrophobicContact CG-CD1 3.4Å; F272-F295 VanDerWaalsContact CG-CD1 3.4Å; F272-F295 HydrophobicContact CG-CE1 4.1Å; F272-F295 HydrophobicContact CG-CG 4.07Å; F272-F295 HydrophobicContact CZ-CD1 4.43Å; F272-V296 HydrophobicContact CD2-CG1 4.18Å; F272-V296 HydrophobicContact CE2-CG1 3.65Å; F272-V296 HydrophobicContact CZ-CG1 4.21Å |
| 273 | L | 98.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 173.9 | -69.3 | 179.6 | 0 | 0 | 0 | 111.4 | G224 A227 I228 L259 F269 H270 N271 A275 S276 L277 | G224-L273 VanDerWaalsContact O-CD2 3.29Å; G224-L273 WeakPolarHBondContact O-CD2 3.45Å; A227-L273 HydrophobicContact CB-CD2 4.06Å; I228-L273 HydrophobicContact CD1-CD1 4.32Å; I228-L273 HydrophobicContact CD1-CD2 4.4Å; I228-L273 HydrophobicContact CG1-CD1 3.86Å; I228-L273 HydrophobicContact CG1-CD2 3.92Å; L259-L273 HydrophobicContact CD1-CD1 3.49Å; L259-L273 VanDerWaalsContact CD1-CD1 3.49Å; L259-L273 HydrophobicContact CD2-CD1 4.13Å; L259-L273 HydrophobicContact CG-CD1 3.51Å; F269-L273 HydrophobicContact CD2-CD1 4.08Å; F269-L273 HydrophobicContact CD2-CG 3.93Å; F269-L273 HydrophobicContact CE2-CD1 3.78Å; F269-L273 HydrophobicContact CE2-CD2 3.94Å; F269-L273 HydrophobicContact CE2-CG 3.74Å; F269-L273 HydrophobicContact CZ-CD1 4.22Å; F269-L273 WeakPolarHBondContact O-CG 3.3Å; F269-L273 PolarHBondContact O-N 2.96Å; H270-L273 PolarHBondContact O-N 3.38Å; N271-L273 PolarHBondContact O-N 3.46Å; L273-A275 VanDerWaalsContact C-N 3.25Å; L273-A275 PolarHBondContact O-N 3.25Å; L273-S276 WeakPolarHBondContact CA-OG 3.35Å; L273-S276 PolarHBondContact O-N 2.85Å; L273-S276 PolarHBondContact O-OG 3Å; L273-L277 HydrophobicContact CB-CD1 4.28Å; L273-L277 HydrophobicContact CD2-CD1 4.2Å; L273-L277 WeakPolarHBondContact O-CA 3.25Å; L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 WeakPolarHBondContact O-CG 3.37Å; L273-L277 PolarHBondContact O-N 3.36Å |
| 274 | K | 97.3 | Very high | 95.6 | Very high | 168 Ų | 168 | 60 Ų | 60 | 73% | 0.73 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -56 | -39.8 | 175 | -173.6 | -179.2 | 179 | -175.5 | 0 | 112 | H270 N271 T278 | H270-K274 WeakPolarHBondContact O-CB 3.4Å; H270-K274 PolarHBondContact O-N 2.95Å; N271-K274 PolarHBondContact O-N 3.34Å; K274-T278 PolarHBondContact O-OG1 2.97Å |
| 275 | A | 97.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 21% | 0.207 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.1 | -55.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N271 F272 L273 L277 T278 P285 L290 | N271-A275 WeakPolarHBondContact O-CB 3.49Å; N271-A275 PolarHBondContact O-N 3.2Å; F272-A275 PolarHBondContact O-N 2.92Å; L273-A275 VanDerWaalsContact C-N 3.25Å; L273-A275 PolarHBondContact O-N 3.25Å; A275-L277 PolarHBondContact O-N 2.84Å; A275-T278 WeakPolarHBondContact O-CB 3.5Å; A275-T278 PolarHBondContact O-N 3.01Å; A275-T278 PolarHBondContact O-OG1 3.09Å; A275-P285 HydrophobicContact CB-CG 4.32Å; A275-P285 VanDerWaalsContact O-CD 3.28Å; A275-P285 WeakPolarHBondContact O-CD 3.36Å; A275-L290 HydrophobicContact CB-CD1 4.01Å |
| 276 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | -177.9 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | G224 F272 L273 T278 R284 | G224-S276 WeakPolarHBondContact CA-OG 3.35Å; F272-S276 WeakPolarHBondContact O-CB 3.09Å; F272-S276 PolarHBondContact O-N 3.05Å; F272-S276 PolarHBondContact O-OG 3.2Å; L273-S276 WeakPolarHBondContact CA-OG 3.35Å; L273-S276 PolarHBondContact O-N 2.85Å; L273-S276 PolarHBondContact O-OG 3Å; S276-T278 PolarHBondContact O-N 3.14Å; S276-R284 VanDerWaalsContact O-CD 3.26Å; S276-R284 WeakPolarHBondContact O-CD 3.5Å; S276-R284 WeakPolarHBondContact O-CG 3.5Å |
| 277 | L | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 29.7 | 178.5 | -56.5 | 169.1 | 0 | 0 | 0 | 112.6 | W221 I225 I228 P256 P257 L273 A275 K279 | W221-L277 HydrophobicContact CD2-CD2 3.76Å; W221-L277 HydrophobicContact CE3-CB 4.26Å; W221-L277 HydrophobicContact CE3-CD2 4.09Å; W221-L277 HydrophobicContact CG-CD2 4.15Å; W221-L277 HydrophobicContact CH2-CB 4.36Å; W221-L277 HydrophobicContact CH2-CD2 4.39Å; W221-L277 HydrophobicContact CZ2-CD2 4.12Å; W221-L277 VanDerWaalsContact CZ3-C 3.47Å; W221-L277 HydrophobicContact CZ3-CB 4.06Å; W221-L277 HydrophobicContact CZ3-CD2 4.4Å; W221-L277 WeakPolarHBondContact CZ3-O 3.46Å; I225-L277 HydrophobicContact CD1-CD2 3.65Å; I225-L277 HydrophobicContact CG1-CD2 3.89Å; I228-L277 HydrophobicContact CD1-CD1 3.72Å; P256-L277 HydrophobicContact CB-CB 4.17Å; P256-L277 VanDerWaalsContact CB-O 3.25Å; P256-L277 WeakPolarHBondContact CB-O 3.36Å; P256-L277 VanDerWaalsContact CG-O 3.24Å; P256-L277 WeakPolarHBondContact CG-O 3.42Å; P257-L277 HydrophobicContact CG-CD1 4.03Å; P257-L277 WeakPolarHBondContact O-CD1 3.35Å; L273-L277 HydrophobicContact CB-CD1 4.28Å; L273-L277 HydrophobicContact CD2-CD1 4.2Å; L273-L277 WeakPolarHBondContact O-CA 3.25Å; L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 WeakPolarHBondContact O-CG 3.37Å; L273-L277 PolarHBondContact O-N 3.36Å; A275-L277 PolarHBondContact O-N 2.84Å; L277-K279 PolarHBondContact O-N 2.68Å |
| 278 | T | 96.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | trans | -64.9 | 116.3 | 169.8 | -64.4 | 0 | 0 | 0 | 0 | 109.6 | K274 A275 S276 S280 K283 R284 | K274-T278 PolarHBondContact O-OG1 2.97Å; A275-T278 WeakPolarHBondContact O-CB 3.5Å; A275-T278 PolarHBondContact O-N 3.01Å; A275-T278 PolarHBondContact O-OG1 3.09Å; S276-T278 PolarHBondContact O-N 3.14Å; T278-S280 PolarHBondContact O-N 3.39Å; T278-K283 HydrophobicContact CG2-CB 3.81Å; T278-R284 HydrophobicContact CG2-CB 4.38Å; T278-R284 PolarHBondContact O-NE 3.06Å; T278-R284 PolarHBondContact O-NH2 3.05Å | ||
| 279 | K | 92.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -59.2 | -31.7 | -178.1 | -175.8 | 170.9 | -173.8 | 176 | 0 | 113.8 | P203 M251 R252 Y254 P256 L277 E281 | P203-K279 HydrophobicContact CB-CG 4.26Å; P203-K279 HydrophobicContact CG-CG 4.22Å; M251-K279 PolarHBondContact O-NZ 3.44Å; R252-K279 PolarHBondContact O-NZ 3.24Å; Y254-K279 WeakPolarHBondContact O-CD 3.48Å; Y254-K279 WeakPolarHBondContact O-CE 3.46Å; Y254-K279 PolarHBondContact O-NZ 2.8Å; P256-K279 HydrophobicContact CG-CB 4.05Å; L277-K279 PolarHBondContact O-N 2.68Å; K279-E281 PolarHBondContact O-N 3.21Å |
| 280 | S | 89.8 | Confident | 96.1 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | trans | -87.4 | 105.4 | 176.5 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | T278 K282 K283 R284 | T278-S280 PolarHBondContact O-N 3.39Å; S280-K282 PolarHBondContact O-N 3.01Å; S280-K282 VanDerWaalsContact O-N 3.09Å; S280-K283 CarbonylContact O-C 3.32Å; S280-K283 WeakPolarHBondContact O-CA 2.95Å; S280-K283 PolarHBondContact O-N 2.98Å; S280-R284 PolarHBondContact O-N 3.2Å | ||
| 281 | E | 89.9 | Confident | 96.1 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -37.2 | -42.9 | 167.5 | 176 | -172.3 | -142.7 | 0 | 0 | 113.8 | E204 Y214 D215 K217 K279 | E204-E281 HydrophobicContact CG-CB 4.17Å; E204-E281 HydrophobicContact CG-CG 4.38Å; Y214-E281 VanDerWaalsContact CA-OE1 3.29Å; Y214-E281 WeakPolarHBondContact CA-OE1 3.24Å; D215-E281 PolarHBondContact N-OE1 2.81Å; D215-E281 WeakPolarHBondContact OD2-CG 3.34Å; K217-E281 PolarHBondContact NZ-O 3.04Å; K279-E281 PolarHBondContact O-N 3.21Å |
| 282 | K | 89.9 | Confident | 96.1 | Very high | 187 Ų | 187 | 56.7 Ų | 56.7 | 81% | 0.813 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -25.9 | 178.6 | -65.7 | -169.5 | 177.7 | -172.3 | 0 | 114.6 | S280 | S280-K282 PolarHBondContact O-N 3.01Å; S280-K282 VanDerWaalsContact O-N 3.09Å |
| 283 | K | 95.1 | Very high | 96.1 | Very high | 177 Ų | 177 | 58.7 Ų | 58.7 | 77% | 0.77 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -14 | 175.5 | -67 | -164.9 | 174 | -166.7 | 0 | 112.8 | T278 S280 | T278-K283 HydrophobicContact CG2-CB 3.81Å; S280-K283 CarbonylContact O-C 3.32Å; S280-K283 WeakPolarHBondContact O-CA 2.95Å; S280-K283 PolarHBondContact O-N 2.98Å |
| 284 | R | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 2% | 0.019 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -68 | 135.2 | 178.3 | -164.9 | -178.2 | -55.9 | 141.4 | 8.7 | 109.7 | E204 K217 V220 S276 T278 S280 | E204-R284 IonicContact OE1-CZ 2.58Å; E204-R284 IonicContact OE1-NH1 3.91Å; E204-R284 PolarHBondContact OE1-NH1 3.26Å; E204-R284 IonicContact OE1-NH2 2.75Å; E204-R284 PolarHBondContact OE1-NH2 3.45Å; E204-R284 IonicContact OE2-CZ 3.77Å; E204-R284 IonicContact OE2-NH1 3.3Å; E204-R284 IonicContact OE2-NH2 3.71Å; E204-R284 PolarHBondContact OE2-NH2 3.39Å; K217-R284 HydrophobicContact CD-CB 4.46Å; K217-R284 WeakPolarHBondContact CD-O 3.33Å; K217-R284 WeakPolarHBondContact O-CD 3.27Å; K217-R284 PolarHBondContact O-NH1 2.97Å; V220-R284 HydrophobicContact CG1-CG 4.3Å; S276-R284 VanDerWaalsContact O-CD 3.26Å; S276-R284 WeakPolarHBondContact O-CD 3.5Å; S276-R284 WeakPolarHBondContact O-CG 3.5Å; T278-R284 HydrophobicContact CG2-CB 4.38Å; T278-R284 PolarHBondContact O-NE 3.06Å; T278-R284 PolarHBondContact O-NH2 3.05Å; S280-R284 PolarHBondContact O-N 3.2Å |
| 285 | P | 97.3 | Very high | 96 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 148.4 | 177 | 27 | -34.5 | 0 | 0 | 0 | 111.2 | A275 A289 L290 | A275-P285 HydrophobicContact CB-CG 4.32Å; A275-P285 VanDerWaalsContact O-CD 3.28Å; A275-P285 WeakPolarHBondContact O-CD 3.36Å; P285-A289 HydrophobicContact CB-CB 3.87Å; P285-L290 HydrophobicContact CB-CB 4.38Å; P285-L290 HydrophobicContact CG-CB 4.29Å; P285-L290 HydrophobicContact CG-CD1 4.07Å |
| 286 | T | 97.6 | Very high | 96 | Very high | 58 Ų | 58 | 54.3 Ų | 54.3 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -70 | 163.5 | 166.7 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | K217 Q288 A289 L290 | K217-T286 HydrophobicContact CD-CG2 3.98Å; K217-T286 HydrophobicContact CG-CG2 4.46Å; T286-Q288 PolarHBondContact O-N 3.46Å; T286-A289 PolarHBondContact O-N 2.59Å; T286-A289 PolarHBondContact OG1-N 2.94Å; T286-L290 PolarHBondContact O-N 3.43Å |
| 287 | A | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.8 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L144 I147 E148 V220 A289 L290 L291 | L144-A287 HydrophobicContact CD2-CB 3.97Å; I147-A287 HydrophobicContact CB-CB 4.33Å; I147-A287 HydrophobicContact CG2-CB 3.77Å; E148-A287 HydrophobicContact CB-CB 4Å; E148-A287 HydrophobicContact CG-CB 4.38Å; V220-A287 HydrophobicContact CG2-CB 4.37Å; A287-A289 PolarHBondContact O-N 3Å; A287-L290 PolarHBondContact O-N 2.92Å; A287-L291 WeakPolarHBondContact O-CG 2.93Å; A287-L291 PolarHBondContact O-N 2.95Å |
| 288 | Q | 97.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.8 | -30.6 | 176.9 | 179 | 55.5 | -36.3 | 0 | 0 | 113.9 | E148 T286 | E148-Q288 HydrophobicContact CG-CB 3.7Å; E148-Q288 WeakPolarHBondContact OE1-CB 3.42Å; E148-Q288 WeakPolarHBondContact OE1-CG 2.96Å; E148-Q288 PolarHBondContact OE1-NE2 3.08Å; E148-Q288 PolarHBondContact OE1-OE1 3.04Å; T286-Q288 PolarHBondContact O-N 3.46Å |
| 289 | A | 97.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.8 | -44.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P285 T286 A287 L291 R292 | P285-A289 HydrophobicContact CB-CB 3.87Å; T286-A289 PolarHBondContact O-N 2.59Å; T286-A289 PolarHBondContact OG1-N 2.94Å; A287-A289 PolarHBondContact O-N 3Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-L291 PolarHBondContact O-N 3.2Å; A289-R292 WeakPolarHBondContact O-CB 3.35Å; A289-R292 PolarHBondContact O-N 2.95Å; A289-R292 VanDerWaalsContact O-N 3.16Å |
| 290 | L | 97.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.6 | -25.7 | -177.9 | -165.4 | 64.4 | 0 | 0 | 0 | 113.1 | L144 V220 F272 A275 P285 T286 A287 R292 H293 V296 | L144-L290 HydrophobicContact CD1-CB 4.24Å; L144-L290 HydrophobicContact CD1-CD2 4.16Å; L144-L290 HydrophobicContact CD1-CG 4.02Å; L144-L290 HydrophobicContact CD2-CB 4.38Å; L144-L290 HydrophobicContact CD2-CD2 4.18Å; V220-L290 HydrophobicContact CG1-CD2 3.67Å; F272-L290 HydrophobicContact CD2-CD1 3.88Å; F272-L290 HydrophobicContact CD2-CD2 4.36Å; F272-L290 HydrophobicContact CD2-CG 4.11Å; F272-L290 HydrophobicContact CE2-CD1 3.98Å; F272-L290 HydrophobicContact CE2-CD2 3.7Å; F272-L290 HydrophobicContact CE2-CG 3.67Å; F272-L290 HydrophobicContact CZ-CD2 4.03Å; F272-L290 HydrophobicContact CZ-CG 4.48Å; A275-L290 HydrophobicContact CB-CD1 4.01Å; P285-L290 HydrophobicContact CB-CB 4.38Å; P285-L290 HydrophobicContact CG-CB 4.29Å; P285-L290 HydrophobicContact CG-CD1 4.07Å; T286-L290 PolarHBondContact O-N 3.43Å; A287-L290 PolarHBondContact O-N 2.92Å; L290-R292 PolarHBondContact O-N 3.45Å; L290-R292 VanDerWaalsContact O-N 3.15Å; L290-H293 HydrophobicContact CD1-CB 3.99Å; L290-H293 WeakPolarHBondContact O-CB 3.41Å; L290-H293 PolarHBondContact O-N 3.06Å; L290-V296 VanDerWaalsContact O-CG2 3.28Å; L290-V296 WeakPolarHBondContact O-CG2 3.39Å |
| 291 | L | 97.8 | Very high | 96 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.5 | 170 | -84.7 | 172.4 | 0 | 0 | 0 | 114 | R141 L144 R145 E148 A287 A289 | R141-L291 HydrophobicContact CG-CD2 4.13Å; L144-L291 HydrophobicContact CB-CD2 3.48Å; L144-L291 VanDerWaalsContact CB-CD2 3.48Å; L144-L291 HydrophobicContact CB-CG 3.8Å; L144-L291 HydrophobicContact CD1-CD2 4.28Å; L144-L291 HydrophobicContact CD1-CG 4.46Å; R145-L291 HydrophobicContact CG-CD1 4.39Å; R145-L291 HydrophobicContact CG-CD2 3.99Å; E148-L291 HydrophobicContact CB-CD1 4.05Å; E148-L291 HydrophobicContact CG-CD1 4.09Å; A287-L291 WeakPolarHBondContact O-CG 2.93Å; A287-L291 PolarHBondContact O-N 2.95Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-L291 PolarHBondContact O-N 3.2Å |
| 292 | R | 97.3 | Very high | 96.3 | Very high | 176 Ų | 176 | 64.7 Ų | 64.7 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.2 | 177.6 | -55.1 | 176.5 | -173.7 | -177.5 | -2.4 | 112.9 | A289 L290 | A289-R292 WeakPolarHBondContact O-CB 3.35Å; A289-R292 PolarHBondContact O-N 2.95Å; A289-R292 VanDerWaalsContact O-N 3.16Å; L290-R292 PolarHBondContact O-N 3.45Å; L290-R292 VanDerWaalsContact O-N 3.15Å |
| 293 | H | 98.2 | Very high | 96.5 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -66.5 | 137 | -175.6 | -172.7 | -84 | 0 | 0 | 0 | 111.1 | K268 F272 L290 F295 V296 N297 | K268-H293 PolarHBondContact O-CE1 2.93Å; F272-H293 VanDerWaalsContact CA-CE1 3.47Å; F272-H293 WeakPolarHBondContact CA-CE1 3.5Å; F272-H293 HydrophobicContact CD2-CB 4.42Å; F272-H293 AromaticContact CD2-ND1 3.89Å; F272-H293 PolarHBondContact N-CE1 2.66Å; L290-H293 HydrophobicContact CD1-CB 3.99Å; L290-H293 WeakPolarHBondContact O-CB 3.41Å; L290-H293 PolarHBondContact O-N 3.06Å; H293-F295 WeakPolarHBondContact ND1-CB 3.35Å; H293-F295 PolarHBondContact ND1-N 2.91Å; H293-F295 PolarHBondContact O-N 2.88Å; H293-F295 VanDerWaalsContact O-N 3.08Å; H293-V296 HydrophobicContact CB-CG2 4.35Å; H293-V296 VanDerWaalsContact O-CG2 3.27Å; H293-V296 WeakPolarHBondContact O-CG2 3.28Å; H293-V296 PolarHBondContact O-N 2.81Å; H293-N297 PolarHBondContact O-N 2.97Å |
| 294 | E | 97 | Very high | 96.5 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -42.7 | -169.8 | -161.2 | -161.5 | 177.8 | 0 | 0 | 112.9 | K268 V296 N297 Q298 | K268-E294 HydrophobicContact CD-CG 4.22Å; K268-E294 WeakPolarHBondContact CD-OE2 3.4Å; K268-E294 VanDerWaalsContact CE-CD 3.47Å; K268-E294 WeakPolarHBondContact CE-OE1 3.24Å; K268-E294 WeakPolarHBondContact CE-OE2 3.19Å; K268-E294 WeakPolarHBondContact CG-OE2 3.43Å; K268-E294 IonicContact NZ-OE1 3.68Å; K268-E294 PolarHBondContact NZ-OE1 3.48Å; K268-E294 IonicContact NZ-OE2 2.65Å; E294-V296 VanDerWaalsContact C-N 3.3Å; E294-V296 PolarHBondContact O-N 2.92Å; E294-N297 PolarHBondContact O-N 2.59Å; E294-Q298 WeakPolarHBondContact O-CG 3.37Å |
| 295 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -43.7 | 176.2 | -175.8 | -117.2 | 0 | 0 | 0 | 114.6 | E133 I136 A137 K268 F269 F272 H293 Q298 | E133-F295 HydrophobicContact CG-CE2 3.62Å; E133-F295 HydrophobicContact CG-CZ 4.16Å; I136-F295 HydrophobicContact CG2-CE1 4.45Å; I136-F295 HydrophobicContact CG2-CZ 4.2Å; A137-F295 HydrophobicContact CB-CD1 4.21Å; A137-F295 HydrophobicContact CB-CD2 4.27Å; A137-F295 HydrophobicContact CB-CE1 3.85Å; A137-F295 HydrophobicContact CB-CE2 3.9Å; A137-F295 HydrophobicContact CB-CG 4.42Å; A137-F295 HydrophobicContact CB-CZ 3.69Å; A137-F295 WeakPolarHBondContact CB-O 3.48Å; K268-F295 HydrophobicContact CB-CB 4.32Å; K268-F295 HydrophobicContact CB-CD2 4.29Å; F269-F295 HydrophobicContact CB-CD2 3.87Å; F269-F295 HydrophobicContact CB-CE2 3.45Å; F269-F295 VanDerWaalsContact CB-CE2 3.45Å; F269-F295 HydrophobicContact CB-CZ 4.01Å; F269-F295 HydrophobicContact CD1-CE2 4.32Å; F269-F295 HydrophobicContact CD1-CZ 4.25Å; F269-F295 HydrophobicContact CD2-CD1 4.46Å; F269-F295 HydrophobicContact CD2-CD2 4.48Å; F269-F295 AromaticContact CD2-CE1 3.77Å; F269-F295 HydrophobicContact CD2-CE1 3.77Å; F269-F295 AromaticContact CD2-CE2 3.79Å; F269-F295 HydrophobicContact CD2-CE2 3.79Å; F269-F295 AromaticContact CD2-CZ 3.38Å; F269-F295 HydrophobicContact CD2-CZ 3.38Å; F269-F295 HydrophobicContact CE2-CE1 4.16Å; F269-F295 AromaticContact CE2-CZ 3.9Å; F269-F295 HydrophobicContact CE2-CZ 3.9Å; F269-F295 HydrophobicContact CG-CD2 4.38Å; F269-F295 HydrophobicContact CG-CE1 4.42Å; F269-F295 AromaticContact CG-CE2 3.6Å; F269-F295 HydrophobicContact CG-CE2 3.6Å; F269-F295 AromaticContact CG-CZ 3.61Å; F269-F295 HydrophobicContact CG-CZ 3.61Å; F272-F295 HydrophobicContact CB-CB 3.76Å; F272-F295 HydrophobicContact CB-CD1 3.68Å; F272-F295 HydrophobicContact CB-CE1 4.49Å; F272-F295 HydrophobicContact CB-CG 3.85Å; F272-F295 AromaticContact CD1-CD1 3.67Å; F272-F295 HydrophobicContact CD1-CD1 3.67Å; F272-F295 AromaticContact CD1-CE1 3.87Å; F272-F295 HydrophobicContact CD1-CE1 3.87Å; F272-F295 HydrophobicContact CD2-CB 4.21Å; F272-F295 AromaticContact CD2-CD1 3.71Å; F272-F295 HydrophobicContact CD2-CD1 3.71Å; F272-F295 HydrophobicContact CD2-CG 4.4Å; F272-F295 HydrophobicContact CE1-CD1 4.19Å; F272-F295 HydrophobicContact CE1-CE1 4.21Å; F272-F295 HydrophobicContact CE2-CD1 4.21Å; F272-F295 HydrophobicContact CG-CB 4.18Å; F272-F295 AromaticContact CG-CD1 3.4Å; F272-F295 HydrophobicContact CG-CD1 3.4Å; F272-F295 VanDerWaalsContact CG-CD1 3.4Å; F272-F295 HydrophobicContact CG-CE1 4.1Å; F272-F295 HydrophobicContact CG-CG 4.07Å; F272-F295 HydrophobicContact CZ-CD1 4.43Å; H293-F295 WeakPolarHBondContact ND1-CB 3.35Å; H293-F295 PolarHBondContact ND1-N 2.91Å; H293-F295 PolarHBondContact O-N 2.88Å; H293-F295 VanDerWaalsContact O-N 3.08Å; F295-Q298 PolarHBondContact O-NE2 2.7Å |
| 296 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -16.4 | -178.4 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | R141 L144 F272 L290 H293 E294 Q298 L301 | R141-V296 HydrophobicContact CB-CB 3.94Å; R141-V296 HydrophobicContact CB-CG1 4.28Å; R141-V296 WeakPolarHBondContact CD-O 3.34Å; R141-V296 HydrophobicContact CG-CB 4.21Å; L144-V296 HydrophobicContact CD1-CG1 4.4Å; L144-V296 HydrophobicContact CD1-CG2 4.39Å; F272-V296 HydrophobicContact CD2-CG1 4.18Å; F272-V296 HydrophobicContact CE2-CG1 3.65Å; F272-V296 HydrophobicContact CZ-CG1 4.21Å; L290-V296 VanDerWaalsContact O-CG2 3.28Å; L290-V296 WeakPolarHBondContact O-CG2 3.39Å; H293-V296 HydrophobicContact CB-CG2 4.35Å; H293-V296 VanDerWaalsContact O-CG2 3.27Å; H293-V296 WeakPolarHBondContact O-CG2 3.28Å; H293-V296 PolarHBondContact O-N 2.81Å; E294-V296 VanDerWaalsContact C-N 3.3Å; E294-V296 PolarHBondContact O-N 2.92Å; V296-Q298 VanDerWaalsContact C-N 3.31Å; V296-Q298 PolarHBondContact O-N 3.01Å; V296-L301 WeakPolarHBondContact O-CD1 3.29Å |
| 297 | N | 94.7 | Very high | 96.5 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 60% | 0.599 | 29% | 0.291 | S | S | * | . | trans | -91.8 | 18.2 | -178.7 | -159.7 | 28.5 | 0 | 0 | 0 | 113.6 | H293 E294 | H293-N297 PolarHBondContact O-N 2.97Å; E294-N297 PolarHBondContact O-N 2.59Å | ||
| 298 | Q | 94.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | trans | -78 | 137.1 | -179 | -45.1 | -178.2 | 74.7 | 0 | 0 | 111.3 | E294 F295 V296 H300 L301 | E294-Q298 WeakPolarHBondContact O-CG 3.37Å; F295-Q298 PolarHBondContact O-NE2 2.7Å; V296-Q298 VanDerWaalsContact C-N 3.31Å; V296-Q298 PolarHBondContact O-N 3.01Å; Q298-H300 VanDerWaalsContact CB-CE1 3.47Å; Q298-H300 WeakPolarHBondContact CB-CE1 3.36Å; Q298-H300 PolarHBondContact O-N 2.97Å; Q298-H300 PolarHBondContact OE1-CE1 2.86Å; Q298-L301 HydrophobicContact CB-CD1 3.81Å; Q298-L301 HydrophobicContact CB-CG 3.95Å; Q298-L301 HydrophobicContact CG-CD1 4.23Å; Q298-L301 WeakPolarHBondContact O-CB 3.15Å; Q298-L301 WeakPolarHBondContact O-CG 3.49Å; Q298-L301 PolarHBondContact O-N 3.02Å | ||
| 299 | P | 92.5 | Very high | 96.2 | Very high | 126 Ų | 126 | 58.8 Ų | 58.8 | 82% | 0.818 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -25.4 | -168 | 27.4 | -35.6 | 0 | 0 | 0 | 114.4 | L301 | P299-L301 VanDerWaalsContact C-N 3.27Å; P299-L301 PolarHBondContact O-N 2.7Å |
| 300 | H | 94 | Very high | 96.1 | Very high | 86 Ų | 86 | 57 Ų | 57 | 40% | 0.398 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.1 | 179.8 | 58 | -82.7 | 0 | 0 | 0 | 114.2 | N134 Q298 T302 | N134-H300 PolarHBondContact OD1-NE2 2.78Å; Q298-H300 VanDerWaalsContact CB-CE1 3.47Å; Q298-H300 WeakPolarHBondContact CB-CE1 3.36Å; Q298-H300 PolarHBondContact O-N 2.97Å; Q298-H300 PolarHBondContact OE1-CE1 2.86Å; H300-T302 PolarHBondContact O-N 3.23Å; H300-T302 PolarHBondContact O-OG1 3.16Å |
| 301 | L | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | -73.4 | 95.9 | -178.6 | -61.1 | 175.5 | 0 | 0 | 0 | 110.6 | N134 A137 F138 R141 V296 Q298 P299 L305 | N134-L301 HydrophobicContact CB-CD2 4.22Å; N134-L301 WeakPolarHBondContact O-CD2 3.24Å; A137-L301 HydrophobicContact CB-CD1 3.89Å; A137-L301 HydrophobicContact CB-CD2 3.78Å; F138-L301 HydrophobicContact CB-CB 4.3Å; F138-L301 HydrophobicContact CB-CD2 4.36Å; F138-L301 HydrophobicContact CD2-CB 4.26Å; R141-L301 VanDerWaalsContact CZ-O 3.28Å; R141-L301 PolarHBondContact NH1-O 2.68Å; R141-L301 PolarHBondContact NH2-O 2.9Å; V296-L301 WeakPolarHBondContact O-CD1 3.29Å; Q298-L301 HydrophobicContact CB-CD1 3.81Å; Q298-L301 HydrophobicContact CB-CG 3.95Å; Q298-L301 HydrophobicContact CG-CD1 4.23Å; Q298-L301 WeakPolarHBondContact O-CB 3.15Å; Q298-L301 WeakPolarHBondContact O-CG 3.49Å; Q298-L301 PolarHBondContact O-N 3.02Å; P299-L301 VanDerWaalsContact C-N 3.27Å; P299-L301 PolarHBondContact O-N 2.7Å; L301-L305 HydrophobicContact CD2-CD1 3.98Å | ||
| 302 | T | 95.9 | Very high | 95.6 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | trans | -132.4 | 163.2 | -174 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | H300 L304 L305 | H300-T302 PolarHBondContact O-N 3.23Å; H300-T302 PolarHBondContact O-OG1 3.16Å; T302-L304 PolarHBondContact O-N 2.92Å; T302-L305 WeakPolarHBondContact O-CB 3.46Å; T302-L305 PolarHBondContact O-N 2.84Å | ||
| 303 | R | 95.3 | Very high | 95.3 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 32% | 0.317 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -14.9 | 179.3 | -155.2 | -179.3 | 78.8 | 171.6 | 14.9 | 114.3 | F138 D170 G171 D172 L305 T306 L307 | F138-R303 HydrophobicContact CZ-CB 4.14Å; F138-R303 HydrophobicContact CZ-CG 4.43Å; D170-R303 VanDerWaalsContact O-CD 3.31Å; D170-R303 WeakPolarHBondContact O-CD 3.24Å; D170-R303 PolarHBondContact O-NE 3Å; D170-R303 PolarHBondContact O-NH2 3.34Å; D170-R303 IonicContact OD1-CZ 2.77Å; D170-R303 IonicContact OD1-NH1 3.58Å; D170-R303 IonicContact OD1-NH2 2.76Å; D170-R303 PolarHBondContact OD1-NH2 3.22Å; G171-R303 WeakPolarHBondContact O-CG 3.25Å; D172-R303 WeakPolarHBondContact OD1-CD 3.29Å; D172-R303 IonicContact OD1-CZ 3.24Å; D172-R303 IonicContact OD1-NE 2.77Å; D172-R303 IonicContact OD1-NH1 3.24Å; D172-R303 PolarHBondContact OD1-NH1 2.91Å; D172-R303 IonicContact OD2-NH1 3.91Å; D172-R303 PolarHBondContact OD2-NH1 2.97Å; R303-L305 PolarHBondContact O-N 3.38Å; R303-T306 PolarHBondContact O-N 3.08Å; R303-T306 PolarHBondContact O-OG1 2.87Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.87Å |
| 304 | L | 95.7 | Very high | 94.9 | Very high | 127 Ų | 127 | 59.8 Ų | 59.8 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.6 | -29.1 | 172.6 | -170 | 62.7 | 0 | 0 | 0 | 112.1 | T302 K308 | T302-L304 PolarHBondContact O-N 2.92Å; L304-K308 WeakPolarHBondContact O-CB 3.43Å; L304-K308 PolarHBondContact O-N 2.63Å |
| 305 | L | 97.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 178.3 | -64.3 | 166 | 0 | 0 | 0 | 111.9 | N134 C135 F138 L301 T302 R303 K308 L309 | N134-L305 HydrophobicContact CB-CD1 4.17Å; N134-L305 HydrophobicContact CB-CD2 4.14Å; C135-L305 HydrophobicContact CB-CB 4.32Å; F138-L305 HydrophobicContact CB-CD1 3.97Å; L301-L305 HydrophobicContact CD2-CD1 3.98Å; T302-L305 WeakPolarHBondContact O-CB 3.46Å; T302-L305 PolarHBondContact O-N 2.84Å; R303-L305 PolarHBondContact O-N 3.38Å; L305-K308 PolarHBondContact O-N 2.87Å; L305-L309 PolarHBondContact O-N 3.43Å |
| 306 | T | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.5 | -33.2 | 174.7 | 36.1 | 0 | 0 | 0 | 0 | 112.2 | F138 V139 L167 G171 V173 R303 L309 L310 | F138-T306 HydrophobicContact CD1-CG2 3.77Å; F138-T306 HydrophobicContact CE1-CG2 3.78Å; F138-T306 WeakPolarHBondContact CE1-OG1 3.27Å; V139-T306 HydrophobicContact CG2-CG2 3.79Å; L167-T306 HydrophobicContact CD1-CG2 3.93Å; L167-T306 HydrophobicContact CD2-CG2 3.84Å; G171-T306 VanDerWaalsContact O-CB 3.25Å; G171-T306 WeakPolarHBondContact O-CB 3.31Å; G171-T306 PolarHBondContact O-OG1 2.87Å; V173-T306 HydrophobicContact CG2-CG2 4.21Å; R303-T306 PolarHBondContact O-N 3.08Å; R303-T306 PolarHBondContact O-OG1 2.87Å; T306-L309 WeakPolarHBondContact O-CB 3.34Å; T306-L309 PolarHBondContact O-N 2.98Å; T306-L310 WeakPolarHBondContact O-CG 3.46Å; T306-L310 PolarHBondContact O-N 2.95Å |
| 307 | L | 96.4 | Very high | 91.7 | Very high | 64 Ų | 64 | 66.6 Ų | 66.6 | 34% | 0.335 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 170.1 | -78.6 | 166.7 | 0 | 0 | 0 | 112.3 | D170 R303 L309 L310 E311 | D170-L307 VanDerWaalsContact O-CD2 3.23Å; D170-L307 WeakPolarHBondContact O-CD2 3.24Å; D170-L307 VanDerWaalsContact O-CG 3.3Å; D170-L307 WeakPolarHBondContact O-CG 3.08Å; R303-L307 WeakPolarHBondContact O-CG 3.49Å; R303-L307 PolarHBondContact O-N 2.87Å; L307-L309 VanDerWaalsContact C-N 3.28Å; L307-L309 PolarHBondContact O-N 3.18Å; L307-L310 PolarHBondContact O-N 3.26Å; L307-E311 PolarHBondContact O-N 3.09Å |
| 308 | K | 95.3 | Very high | 89.9 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 172.7 | 179.8 | -171.4 | 169.3 | -164.7 | 0 | 112 | E132 L304 L305 T312 | E132-K308 IonicContact OE1-NZ 3.93Å; E132-K308 PolarHBondContact OE1-NZ 3.2Å; E132-K308 IonicContact OE2-NZ 3.7Å; E132-K308 PolarHBondContact OE2-NZ 3.35Å; L304-K308 WeakPolarHBondContact O-CB 3.43Å; L304-K308 PolarHBondContact O-N 2.63Å; L305-K308 PolarHBondContact O-N 2.87Å; K308-T312 WeakPolarHBondContact O-CB 3.43Å; K308-T312 PolarHBondContact O-N 2.77Å; K308-T312 PolarHBondContact O-OG1 2.58Å |
| 309 | L | 94.7 | Very high | 87.8 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68 | -38.3 | 174.7 | -172.5 | 66.3 | 0 | 0 | 0 | 112 | M120 I123 I127 I131 L305 T306 L307 T312 N313 | M120-L309 HydrophobicContact CE-CD2 3.88Å; M120-L309 HydrophobicContact SD-CD2 4.19Å; I123-L309 HydrophobicContact CG2-CD1 4.05Å; I123-L309 HydrophobicContact CG2-CD2 3.78Å; I123-L309 HydrophobicContact CG2-CG 3.69Å; I127-L309 HydrophobicContact CD1-CD1 3.74Å; I127-L309 HydrophobicContact CD1-CG 4.42Å; I131-L309 HydrophobicContact CD1-CD2 4.24Å; I131-L309 HydrophobicContact CG2-CD2 4.34Å; L305-L309 PolarHBondContact O-N 3.43Å; T306-L309 WeakPolarHBondContact O-CB 3.34Å; T306-L309 PolarHBondContact O-N 2.98Å; L307-L309 VanDerWaalsContact C-N 3.28Å; L307-L309 PolarHBondContact O-N 3.18Å; L309-T312 WeakPolarHBondContact O-CB 3.45Å; L309-T312 PolarHBondContact O-N 3.23Å; L309-N313 WeakPolarHBondContact O-CB 3.23Å; L309-N313 PolarHBondContact O-N 3.44Å |
| 310 | L | 95 | Very high | 85.4 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70 | -36.3 | 174.4 | -71.4 | 172.6 | 0 | 0 | 0 | 112.8 | I123 L167 T168 T306 L307 N313 R314 | I123-L310 HydrophobicContact CD1-CD2 4.13Å; L167-L310 HydrophobicContact CB-CD1 4.41Å; L167-L310 HydrophobicContact CB-CD2 4.41Å; L167-L310 HydrophobicContact CD1-CD1 4.24Å; L167-L310 HydrophobicContact CD1-CD2 3.99Å; L167-L310 HydrophobicContact CD1-CG 3.94Å; T168-L310 WeakPolarHBondContact O-CD1 3.37Å; T306-L310 WeakPolarHBondContact O-CG 3.46Å; T306-L310 PolarHBondContact O-N 2.95Å; L307-L310 PolarHBondContact O-N 3.26Å; L310-N313 PolarHBondContact O-N 2.59Å; L310-R314 WeakPolarHBondContact O-CG 3.39Å; L310-R314 PolarHBondContact O-N 3.24Å |
| 311 | E | 93 | Very high | 82.5 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 171.1 | -169.1 | -173 | 168.6 | 0 | 0 | 111 | L307 N313 R314 N315 | L307-E311 PolarHBondContact O-N 3.09Å; E311-N313 VanDerWaalsContact C-N 3.35Å; E311-N313 PolarHBondContact O-N 2.8Å; E311-R314 PolarHBondContact O-N 2.87Å; E311-N315 PolarHBondContact O-N 3.32Å; E311-N315 VanDerWaalsContact O-N 3.13Å |
| 312 | T | 91.5 | Very high | 79.5 | Confident | 10 Ų | 10 | 75 Ų | 75 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 170.7 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | I127 K308 L309 R314 N315 P316 T319 | I127-T312 HydrophobicContact CD1-CG2 3.68Å; I127-T312 HydrophobicContact CG1-CG2 3.96Å; I127-T312 HydrophobicContact CG2-CG2 3.64Å; K308-T312 WeakPolarHBondContact O-CB 3.43Å; K308-T312 PolarHBondContact O-N 2.77Å; K308-T312 PolarHBondContact O-OG1 2.58Å; L309-T312 WeakPolarHBondContact O-CB 3.45Å; L309-T312 PolarHBondContact O-N 3.23Å; T312-R314 VanDerWaalsContact C-N 3.31Å; T312-R314 PolarHBondContact O-N 3.38Å; T312-N315 CarbonylContact O-C 3.6Å; T312-N315 PolarHBondContact O-N 3.34Å; T312-N315 VanDerWaalsContact O-N 3.1Å; T312-P316 WeakPolarHBondContact O-CA 3.35Å; T312-T319 HydrophobicContact CG2-CG2 3.76Å |
| 313 | N | 90.2 | Very high | 76.5 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.8 | -34.5 | -178.6 | -164.1 | 31.9 | 0 | 0 | 0 | 112.9 | I123 N126 I127 L309 L310 E311 | I123-N313 HydrophobicContact CG2-CB 4.43Å; N126-N313 WeakPolarHBondContact CB-OD1 3.46Å; N126-N313 PolarHBondContact ND2-O 3.15Å; N126-N313 PolarHBondContact ND2-OD1 2.83Å; I127-N313 HydrophobicContact CD1-CB 4.01Å; I127-N313 HydrophobicContact CG1-CB 4.25Å; L309-N313 WeakPolarHBondContact O-CB 3.23Å; L309-N313 PolarHBondContact O-N 3.44Å; L310-N313 PolarHBondContact O-N 2.59Å; E311-N313 VanDerWaalsContact C-N 3.35Å; E311-N313 PolarHBondContact O-N 2.8Å |
| 314 | R | 90 | Very high | 73.3 | Confident | 167 Ų | 167 | 77.8 Ų | 77.8 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.9 | -28.3 | 174.5 | -69.3 | 171.1 | -173.8 | 169.9 | 5.7 | 112.7 | L310 E311 T312 | L310-R314 WeakPolarHBondContact O-CG 3.39Å; L310-R314 PolarHBondContact O-N 3.24Å; E311-R314 PolarHBondContact O-N 2.87Å; T312-R314 VanDerWaalsContact C-N 3.31Å; T312-R314 PolarHBondContact O-N 3.38Å |
| 315 | N | 85.9 | Confident | 70.1 | Confident | 72 Ų | 72 | 77.4 Ų | 77.4 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -134.7 | 58.6 | -173.2 | -68.2 | -59.4 | 0 | 0 | 0 | 112.5 | E311 T312 N317 I318 | E311-N315 PolarHBondContact O-N 3.32Å; E311-N315 VanDerWaalsContact O-N 3.13Å; T312-N315 CarbonylContact O-C 3.6Å; T312-N315 PolarHBondContact O-N 3.34Å; T312-N315 VanDerWaalsContact O-N 3.1Å; N315-N317 VanDerWaalsContact C-N 3.29Å; N315-N317 PolarHBondContact O-N 2.72Å; N315-I318 HydrophobicContact CB-CB 4.1Å; N315-I318 HydrophobicContact CB-CD1 3.79Å; N315-I318 HydrophobicContact CB-CG1 3.95Å; N315-I318 PolarHBondContact O-N 3.28Å | ||
| 316 | P | 73.2 | Confident | 66.6 | Low | 36 Ų | 36 | 85.3 Ų | 85.3 | 23% | 0.234 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -55.2 | -46.3 | -171.6 | 19.5 | -31.8 | 0 | 0 | 0 | 111.7 | T312 I318 T319 | T312-P316 WeakPolarHBondContact O-CA 3.35Å; P316-I318 VanDerWaalsContact C-N 3.28Å; P316-I318 PolarHBondContact O-N 2.96Å; P316-T319 PolarHBondContact O-N 3.21Å; P316-T319 PolarHBondContact O-OG1 3.04Å |
| 317 | N | 66.2 | Low | 63.2 | Low | 142 Ų | 142 | 88.6 Ų | 88.6 | 76% | 0.759 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -60.3 | -26.6 | -179.9 | -62.2 | -23.4 | 0 | 0 | 0 | 114.8 | N315 T319 | N315-N317 VanDerWaalsContact C-N 3.29Å; N315-N317 PolarHBondContact O-N 2.72Å; N317-T319 VanDerWaalsContact C-N 3.3Å; N317-T319 PolarHBondContact O-N 3.31Å |
| 318 | I | 58.1 | Low | 59.9 | Low | 88 Ų | 88 | 93.2 Ų | 93.2 | 45% | 0.451 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -72.4 | -28.7 | -178.3 | -64.3 | -172.6 | 0 | 0 | 0 | 110.9 | N315 P316 N320 N321 | N315-I318 HydrophobicContact CB-CB 4.1Å; N315-I318 HydrophobicContact CB-CD1 3.79Å; N315-I318 HydrophobicContact CB-CG1 3.95Å; N315-I318 PolarHBondContact O-N 3.28Å; P316-I318 VanDerWaalsContact C-N 3.28Å; P316-I318 PolarHBondContact O-N 2.96Å; I318-N320 VanDerWaalsContact C-N 3.31Å; I318-N320 PolarHBondContact O-N 3.28Å; I318-N321 PolarHBondContact O-N 3.37Å; I318-N321 VanDerWaalsContact O-N 3.15Å |
| 319 | T | 50.7 | Low | 56.6 | Low | 19 Ų | 19 | 95.5 Ų | 95.5 | 12% | 0.117 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -76 | -16.5 | -170.7 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | R129 T312 P316 N317 N321 R322 L323 | R129-T319 VanDerWaalsContact CZ-OG1 3.27Å; R129-T319 PolarHBondContact NH1-OG1 3.05Å; R129-T319 PolarHBondContact NH2-OG1 3.33Å; T312-T319 HydrophobicContact CG2-CG2 3.76Å; P316-T319 PolarHBondContact O-N 3.21Å; P316-T319 PolarHBondContact O-OG1 3.04Å; N317-T319 VanDerWaalsContact C-N 3.3Å; N317-T319 PolarHBondContact O-N 3.31Å; T319-N321 PolarHBondContact O-N 3Å; T319-R322 PolarHBondContact O-N 2.99Å; T319-L323 PolarHBondContact O-N 3.37Å |
| 320 | N | 41.8 | Very low | 53.4 | Low | 122 Ų | 122 | 98.9 Ų | 98.9 | 65% | 0.652 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -64.7 | -26 | 169.8 | -69.4 | -2.1 | 0 | 0 | 0 | 112.2 | I318 | I318-N320 VanDerWaalsContact C-N 3.31Å; I318-N320 PolarHBondContact O-N 3.28Å |
| 321 | N | 33 | Very low | 50.2 | Low | 134 Ų | 134 | 101.2 Ų | 101.2 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -99.1 | 11.4 | 175.9 | -75.6 | -3.3 | 0 | 0 | 0 | 113.7 | I318 T319 | I318-N321 PolarHBondContact O-N 3.37Å; I318-N321 VanDerWaalsContact O-N 3.15Å; T319-N321 PolarHBondContact O-N 3Å |
| 322 | R | 34.4 | Very low | 47.2 | Very low | 167 Ų | 167 | 102.6 Ų | 102.6 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | -10 | 178.8 | -94.7 | -175.4 | 171.4 | 179.1 | -2.1 | 115.7 | T319 S324 | T319-R322 PolarHBondContact O-N 2.99Å; R322-S324 VanDerWaalsContact C-N 3.32Å |
| 323 | L | 32 | Very low | 44.1 | Very low | 113 Ų | 113 | 105.4 Ų | 105.4 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -10.3 | 170 | -76.2 | 174.2 | 0 | 0 | 0 | 113.8 | R129 T319 I325 | R129-L323 VanDerWaalsContact NH1-CD1 3.33Å; T319-L323 PolarHBondContact O-N 3.37Å; L323-I325 VanDerWaalsContact C-N 3.26Å; L323-I325 PolarHBondContact O-N 3.18Å |
| 324 | S | 28.8 | Very low | 41.1 | Very low | 97 Ų | 97 | 109.8 Ų | 109.8 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -0.7 | 169.4 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | R322 | R322-S324 VanDerWaalsContact C-N 3.32Š|
| 325 | I | 27 | Very low | 38.2 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -135.2 | 83.4 | 179.6 | -49.7 | 177.6 | 0 | 0 | 0 | 109.9 | L323 | L323-I325 VanDerWaalsContact C-N 3.26Å; L323-I325 PolarHBondContact O-N 3.18Å |
| 326 | H | 25.2 | Very low | 35.3 | Very low | 195 Ų | 195 | 113.7 Ų | 113.7 | 90% | 0.903 | 61% | 0.612 | S | S | * | * | trans | -167.5 | 41 | 144.4 | -106.8 | 77.5 | 0 | 0 | 0 | 112.1 | ||||
| 327 | G | 25.7 | Very low | 33 | Very low | 69 Ų | 69 | 120.6 Ų | 120.6 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -105.5 | 139.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 328 | N | 27.1 | Very low | 31.1 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 86% | 0.856 | 65% | 0.645 | S | S | * | * | trans | 51.3 | 90.8 | 176 | -70.4 | -4.6 | 0 | 0 | 0 | 118 | N330 | N328-N330 PolarHBondContact O-N 3.36Š| ||
| 329 | N | 24.7 | Very low | 29.5 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | trans | -73 | 101.9 | 132.1 | -96.7 | -31.6 | 0 | 0 | 0 | 108 | ||||
| 330 | N | 28.5 | Very low | 28.5 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 47% | 0.471 | 68% | 0.684 | S | S | . | * | trans | 175.7 | 99.7 | 147.4 | -91.3 | -32.7 | 0 | 0 | 0 | 112 | N328 T1581 T1582 | N328-N330 PolarHBondContact O-N 3.36Å; N330-T1581 VanDerWaalsContact OD1-CG2 3.3Å; N330-T1581 WeakPolarHBondContact OD1-CG2 3.21Å; N330-T1582 WeakPolarHBondContact OD1-CG2 2.99Å; N330-T1582 PolarHBondContact OD1-OG1 3.06Å | ||
| 331 | N | 27.1 | Very low | 27.9 | Very low | 55 Ų | 55 | 128.5 Ų | 128.5 | 29% | 0.294 | 67% | 0.666 | S | S | . | * | trans | 71.4 | 152.4 | 158.6 | -66.2 | -39 | 0 | 0 | 0 | 119.9 | T1581 T1582 | N331-T1581 WeakPolarHBondContact CA-OG1 3.39Å; N331-T1581 PolarHBondContact N-OG1 3.25Å; N331-T1581 VanDerWaalsContact OD1-C 3.31Å; N331-T1581 WeakPolarHBondContact OD1-CA 3.47Å; N331-T1581 WeakPolarHBondContact OD1-CB 3.43Å; N331-T1581 PolarHBondContact OD1-N 2.83Å; N331-T1581 PolarHBondContact OD1-OG1 3.07Å; N331-T1582 PolarHBondContact ND2-N 2.73Å; N331-T1582 PolarHBondContact ND2-O 3.43Å; N331-T1582 PolarHBondContact ND2-OG1 2.95Å | ||
| 332 | H | 30.5 | Very low | 27.6 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 64% | 0.644 | 65% | 0.652 | S | S | * | * | cis | -139.8 | 147.8 | -1 | -131 | -55 | 0 | 0 | 0 | 111.7 | ||||
| 333 | S | 26.3 | Very low | 27.3 | Very low | 68 Ų | 68 | 124 Ų | 124 | 48% | 0.476 | 65% | 0.651 | S | S | . | * | trans | 18.6 | 113.5 | 147.6 | -57.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 334 | T | 26 | Very low | 27.1 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | 36.1 | 113.8 | 126.7 | 60.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 335 | N | 29.7 | Very low | 26.9 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 84% | 0.84 | 66% | 0.655 | S | S | * | * | -169.7 | 174 | 87.3 | -103.4 | -43.5 | 0 | 0 | 0 | 113.5 | |||||
| 336 | Q | 24.6 | Very low | 26.9 | Very low | 164 Ų | 164 | 127.5 Ų | 127.5 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | trans | -103.8 | 172 | -171 | -57.6 | 178.2 | -4 | 0 | 0 | 113.5 | ||||
| 337 | Q | 24.8 | Very low | 26.7 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 84% | 0.841 | 65% | 0.652 | S | S | * | * | trans | 88.6 | 115.5 | 157.2 | -54.4 | -172.3 | 20.8 | 0 | 0 | 119.2 | ||||
| 338 | Q | 26.2 | Very low | 26.6 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 83% | 0.832 | 66% | 0.657 | S | S | * | * | trans | -61 | 157.2 | 174.2 | -51.6 | 148.8 | -4.5 | 0 | 0 | 113.5 | ||||
| 339 | Q | 26.3 | Very low | 26.6 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 65% | 0.65 | S | S | * | * | 179.3 | 159.6 | 121.5 | -104.3 | -179.5 | 67.1 | 0 | 0 | 117.5 | |||||
| 340 | Q | 28.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | trans | 66.8 | 119.8 | 154.9 | -69.1 | 169.8 | 52.7 | 0 | 0 | 120.3 | ||||
| 341 | Q | 29.6 | Very low | 26.3 | Very low | 61 Ų | 61 | 133.7 Ų | 133.7 | 29% | 0.285 | 66% | 0.657 | S | S | . | * | 62.4 | 138.7 | 72.2 | -64.6 | 178.4 | 65.4 | 0 | 0 | 113.9 | H610 Q612 | Q341-H610 VanDerWaalsContact CD-CD2 3.42Å; Q341-H610 HydrophobicContact CG-CB 3.33Å; Q341-H610 PolarHBondContact OE1-CD2 2.73Å; Q341-Q612 WeakPolarHBondContact CA-O 3.13Å; Q341-Q612 PolarHBondContact N-O 2.79Å | |||
| 342 | T | 26 | Very low | 26.1 | Very low | 69 Ų | 69 | 138 Ų | 138 | 42% | 0.423 | 68% | 0.675 | S | S | . | * | cis | -173.1 | 163.4 | 31.5 | -19.2 | 0 | 0 | 0 | 0 | 114.5 | Q614 | T342-Q614 PolarHBondContact O-OE1 2.81Š| ||
| 343 | K | 28.3 | Very low | 26.2 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | trans | 98.3 | 122.5 | 149.2 | -77.1 | -180 | 167.9 | -177.4 | 0 | 122.9 | Q613 | K343-Q613 VanDerWaalsContact C-NE2 3.26Å; K343-Q613 PolarHBondContact O-NE2 3.15Å | ||
| 344 | I | 27.6 | Very low | 26.4 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 64% | 0.641 | 67% | 0.672 | S | S | * | * | 82.6 | 109.6 | 123.2 | -66.7 | 175.3 | 0 | 0 | 0 | 123.8 | |||||
| 345 | T | 25.1 | Very low | 26.3 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | 55.4 | 145.9 | 139.9 | 67.3 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 346 | H | 26.7 | Very low | 26 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | 93.2 | 108.3 | 152 | -83.4 | -75.4 | 0 | 0 | 0 | 121.8 | ||||
| 347 | I | 22.4 | Very low | 26.1 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | trans | 78 | 106.6 | 142.4 | -58.6 | 171.6 | 0 | 0 | 0 | 119.5 | ||||
| 348 | K | 23.5 | Very low | 25.9 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | 55.7 | 140.2 | 147 | -65.5 | 178 | -179.6 | -175.8 | 0 | 119.9 | ||||
| 349 | K | 25.7 | Very low | 25.7 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 71% | 0.709 | 66% | 0.664 | S | S | * | * | cis | -160.2 | 172.4 | -18.5 | -126.2 | -165.1 | 168.3 | -89.9 | 0 | 108.7 | ||||
| 350 | E | 25.5 | Very low | 25.8 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | trans | -48.7 | 143.3 | -170.8 | -53 | 94.3 | 172.6 | 0 | 0 | 115.1 | ||||
| 351 | E | 22.8 | Very low | 25.7 | Very low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 68% | 0.677 | S | S | * | * | cis | 82.3 | 112 | 15 | -154.6 | -173.7 | -122.6 | 0 | 0 | 116.5 | ||||
| 352 | Q | 22.6 | Very low | 25.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | 160.3 | 148.8 | 123.4 | -85.2 | -174.6 | 10.9 | 0 | 0 | 113.9 | S414 | Q352-S414 PolarHBondContact NE2-O 2.79Š| |||
| 353 | L | 31.7 | Very low | 25.9 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 52% | 0.524 | 71% | 0.711 | S | S | . | * | trans | -147.9 | 173.1 | 167.6 | -100.1 | 144.8 | 0 | 0 | 0 | 109 | I411 | L353-I411 CarbonylContact C-O 3.58Å; L353-I411 WeakPolarHBondContact CA-O 3.37Å; L353-I411 HydrophobicContact CB-CB 4.28Å; L353-I411 WeakPolarHBondContact CB-O 3.25Å | ||
| 354 | P | 30.5 | Very low | 25.7 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 53% | 0.532 | 72% | 0.716 | S | S | . | * | trans | -121.4 | -156.4 | 165.8 | 40.6 | -25.3 | 0 | 0 | 0 | 111.5 | I411 S412 | P354-I411 CarbonylContact O-C 3.5Å; P354-I411 PolarHBondContact O-N 2.85Å; P354-S412 PolarHBondContact O-N 2.83Å | ||
| 355 | E | 23.6 | Very low | 25.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 62% | 0.617 | 70% | 0.697 | S | S | * | * | -155.4 | 171.7 | -80.9 | -151.9 | 159.3 | 115 | 0 | 0 | 107.1 | S413 | E355-S413 VanDerWaalsContact OE2-CA 3.27Å; E355-S413 WeakPolarHBondContact OE2-CA 3.5Å; E355-S413 WeakPolarHBondContact OE2-CB 3.17Å | |||
| 356 | E | 24.7 | Very low | 25.7 | Very low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | trans | -135.7 | 155.3 | 178.5 | -108.3 | -166.2 | 134.6 | 0 | 0 | 112.2 | ||||
| 357 | Y | 25.6 | Very low | 25.5 | Very low | 205 Ų | 205 | 133.9 Ų | 133.9 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 22.2 | 105.3 | 164.2 | -76.5 | -86.9 | 0 | 0 | 0 | 118.9 | ||
| 358 | S | 20.8 | Very low | 25.6 | Very low | 129 Ų | 129 | 131 Ų | 131 | 90% | 0.902 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 135.8 | 26.5 | 147.1 | -56.8 | 0 | 0 | 0 | 0 | 117 | ||
| 359 | A | 22.7 | Very low | 25.5 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -146.2 | 156.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 360 | L | 28.4 | Very low | 25.5 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 66% | 0.661 | S | S | * | * | cis | -128.6 | 138.1 | 11.6 | -85.5 | 164 | 0 | 0 | 0 | 112.7 | ||||
| 361 | L | 24.9 | Very low | 25.3 | Very low | 165 Ų | 165 | 124 Ų | 124 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -74.7 | 146.6 | 139.6 | -87.5 | 153.2 | 0 | 0 | 0 | 107.7 | ||
| 362 | V | 24.1 | Very low | 25.4 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 74% | 0.739 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 82.7 | 131.7 | -171.5 | -171.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 363 | G | 36.1 | Very low | 25.5 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 88.2 | 22.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 364 | R | 25.6 | Very low | 25.4 | Very low | 187 Ų | 187 | 115.5 Ų | 115.5 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | 61.6 | 148.7 | 75.3 | -89.7 | -158 | 164 | -160.1 | -3.8 | 115.6 | K737 | R364-K737 WeakPolarHBondContact O-CE 3.32Å; R364-K737 PolarHBondContact O-NZ 2.9Å | |||
| 365 | P | 27.9 | Very low | 25 | Very low | 38 Ų | 38 | 117.2 Ų | 117.2 | 25% | 0.247 | 62% | 0.616 | C | S | . | * | cis | -144.6 | 177.8 | -18.6 | 41.9 | -23.7 | 0 | 0 | 0 | 117.6 | E735 | P365-E735 VanDerWaalsContact CA-OE1 3.28Å; P365-E735 WeakPolarHBondContact CA-OE1 3.28Å | ||
| 366 | D | 23.2 | Very low | 25 | Very low | 94 Ų | 94 | 115.2 Ų | 115.2 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | trans | 71.8 | 104.6 | 146 | -63.9 | -32 | 0 | 0 | 0 | 118.8 | ||||
| 367 | Y | 24.1 | Very low | 25.1 | Very low | 161 Ų | 161 | 113 Ų | 113 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | -135.5 | 105.8 | 105.3 | -121.5 | -62.2 | 0 | 0 | 0 | 112.2 | D736 | Y367-D736 HydrophobicContact CD2-CB 4Å; Y367-D736 HydrophobicContact CE2-CB 3.69Å | |||
| 368 | P | 23.8 | Very low | 25 | Very low | 75 Ų | 75 | 110.5 Ų | 110.5 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | trans | -89.1 | -176.5 | 176.9 | 36.6 | -36.5 | 0 | 0 | 0 | 112.1 | I370 | P368-I370 PolarHBondContact O-N 2.84Å; P368-I370 VanDerWaalsContact O-N 3.14Å | ||
| 369 | M | 21.6 | Very low | 25.4 | Very low | 119 Ų | 119 | 111.3 Ų | 111.3 | 59% | 0.586 | 59% | 0.594 | S | S | * | * | trans | -46.1 | 119.9 | 149 | -83.7 | 176.3 | 49.1 | 0 | 0 | 109.9 | Q128 | Q128-M369 PolarHBondContact NE2-SD 3.5Š| ||
| 370 | I | 24.3 | Very low | 25.5 | Very low | 139 Ų | 139 | 111 Ų | 111 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | trans | -157.1 | 96.2 | 138.1 | -108.2 | 153 | 0 | 0 | 0 | 111.1 | P368 N372 | P368-I370 PolarHBondContact O-N 2.84Å; P368-I370 VanDerWaalsContact O-N 3.14Å; I370-N372 VanDerWaalsContact C-N 3.32Å; I370-N372 HydrophobicContact CG2-CB 4.24Å; I370-N372 PolarHBondContact O-N 2.86Å | ||
| 371 | I | 21.7 | Very low | 25.4 | Very low | 80 Ų | 80 | 111.5 Ų | 111.5 | 41% | 0.41 | 59% | 0.59 | S | S | . | * | -28.5 | 98.4 | 128 | -68.1 | 171.9 | 0 | 0 | 0 | 109.2 | L2000 | I371-L2000 VanDerWaalsContact CG2-CA 3.41Å; I371-L2000 HydrophobicContact CG2-CB 4.27Å; I371-L2000 HydrophobicContact CG2-CD2 3.85Å; I371-L2000 HydrophobicContact CG2-CG 4.07Å; I371-L2000 VanDerWaalsContact CG2-O 3.32Å; I371-L2000 WeakPolarHBondContact CG2-O 3.45Å | |||
| 372 | N | 24.6 | Very low | 25.3 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | trans | 172.1 | 95 | 149 | -91.3 | -10.2 | 0 | 0 | 0 | 117.9 | I370 K1999 L2000 | I370-N372 VanDerWaalsContact C-N 3.32Å; I370-N372 HydrophobicContact CG2-CB 4.24Å; I370-N372 PolarHBondContact O-N 2.86Å; N372-K1999 VanDerWaalsContact CA-O 3.3Å; N372-K1999 WeakPolarHBondContact CA-O 3.16Å; N372-K1999 HydrophobicContact CB-CB 3.97Å; N372-K1999 HydrophobicContact CB-CD 4.42Å; N372-K1999 PolarHBondContact N-O 2.8Å; N372-K1999 WeakPolarHBondContact O-CE 3.48Å; N372-K1999 PolarHBondContact O-NZ 3.38Å; N372-K1999 WeakPolarHBondContact OD1-CB 3.45Å; N372-K1999 PolarHBondContact OD1-O 3.17Å; N372-L2000 PolarHBondContact OD1-N 2.7Å | ||
| 373 | N | 25.5 | Very low | 25.4 | Very low | 68 Ų | 68 | 114 Ų | 114 | 36% | 0.364 | 59% | 0.589 | S | S | . | * | trans | -67.6 | 146.9 | -178.1 | 67.8 | -127.5 | 0 | 0 | 0 | 118.8 | G1995 K1999 | N373-G1995 PolarHBondContact ND2-O 2.81Å; N373-K1999 WeakPolarHBondContact O-CD 3.35Å; N373-K1999 WeakPolarHBondContact O-CE 3.46Å; N373-K1999 WeakPolarHBondContact O-CG 3.42Å; N373-K1999 PolarHBondContact O-NZ 2.64Å; N373-K1999 PolarHBondContact OD1-N 3.45Å | ||
| 374 | K | 29.2 | Very low | 24.9 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 36% | 0.361 | 60% | 0.595 | S | S | . | * | trans | -158.4 | 141.3 | 144.1 | -134.1 | -171.7 | -169.5 | -167 | 0 | 114.6 | S1992 | K374-S1992 PolarHBondContact NZ-O 2.82Å; K374-S1992 PolarHBondContact NZ-OG 3.3Å | ||
| 375 | L | 22.8 | Very low | 24.9 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 62% | 0.618 | 60% | 0.603 | S | S | * | * | trans | -50.9 | 149.7 | 152.9 | -58.9 | 79.2 | 0 | 0 | 0 | 109.8 | ||||
| 376 | S | 23.7 | Very low | 24.7 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 63% | 0.629 | 63% | 0.626 | S | S | * | * | cis | -161 | 160.2 | 1.8 | 30.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 377 | I | 26.8 | Very low | 24.9 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 59% | 0.59 | 64% | 0.639 | S | S | * | * | -158.7 | 158.4 | 87.7 | -92.8 | 166.4 | 0 | 0 | 0 | 110.3 | A814 | I377-A814 HydrophobicContact CD1-CB 3.59Å; I377-A814 HydrophobicContact CG2-CB 4.11Å | |||
| 378 | Q | 23.7 | Very low | 24.9 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | trans | -76.2 | 172.1 | 177.3 | -60.7 | 151.1 | -108.7 | 0 | 0 | 110.1 | ||||
| 379 | H | 28.3 | Very low | 25.1 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 67% | 0.671 | 64% | 0.642 | S | S | * | * | cis | -155 | 163.1 | 24.9 | -139.5 | -79.5 | 0 | 0 | 0 | 110.1 | ||||
| 380 | S | 24.6 | Very low | 25.3 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | trans | 30 | 134.5 | 154.3 | 36.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 381 | N | 26.8 | Very low | 25.3 | Very low | 164 Ų | 164 | 129 Ų | 129 | 88% | 0.877 | 63% | 0.633 | S | S | * | * | cis | -113.6 | 143.9 | 44.9 | -81.6 | -20.3 | 0 | 0 | 0 | 117 | ||||
| 382 | E | 23.7 | Very low | 25.5 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | trans | -82 | 132.7 | 158.8 | -63.1 | 173.4 | 159.6 | 0 | 0 | 107.6 | K2015 | E382-K2015 IonicContact OE1-NZ 3.03Å; E382-K2015 PolarHBondContact OE1-NZ 2.83Å; E382-K2015 IonicContact OE2-NZ 3.4Å | ||
| 383 | Q | 26.2 | Very low | 25.7 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 91% | 0.911 | 65% | 0.649 | S | S | * | * | -164.6 | 95.2 | 128.5 | -107.9 | 177.9 | 33.6 | 0 | 0 | 111.1 | |||||
| 384 | Y | 24.1 | Very low | 25.8 | Very low | 207 Ų | 207 | 134.2 Ų | 134.2 | 81% | 0.812 | 66% | 0.663 | S | S | * | * | trans | -79.4 | 142.6 | 149 | -103.5 | -109.6 | 0 | 0 | 0 | 108.2 | ||||
| 385 | K | 26.5 | Very low | 25.7 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | trans | -159.4 | 118.1 | 135.5 | -116.8 | 167.8 | -174.4 | 174.8 | 0 | 110.9 | ||||
| 386 | D | 24.5 | Very low | 26 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | -60.3 | 144.9 | 170.3 | -51.8 | -88 | 0 | 0 | 0 | 111.1 | ||||
| 387 | R | 25.6 | Very low | 26.2 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 77% | 0.774 | 69% | 0.691 | S | S | * | * | trans | -135.5 | 126 | 152.6 | -80 | -170.3 | 169.5 | 179.3 | -2.8 | 109.4 | ||||
| 388 | T | 24.7 | Very low | 26.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | trans | -112.2 | 144.4 | 147.6 | 48.8 | 0 | 0 | 0 | 0 | 106.7 | D725 | T388-D725 VanDerWaalsContact C-OD2 3.32Å; T388-D725 WeakPolarHBondContact CA-OD2 3.18Å | ||
| 389 | L | 27.6 | Very low | 26.2 | Very low | 86 Ų | 86 | 137 Ų | 137 | 45% | 0.45 | 70% | 0.697 | S | S | . | * | trans | -167.5 | 17 | 174.6 | -135.8 | 46.3 | 0 | 0 | 0 | 117.9 | G723 V724 D725 | L389-G723 WeakPolarHBondContact CD2-O 3.07Å; L389-G723 VanDerWaalsContact CG-O 3.22Å; L389-G723 WeakPolarHBondContact CG-O 3.48Å; L389-V724 WeakPolarHBondContact O-CA 3.2Å; L389-V724 WeakPolarHBondContact O-CG1 3.43Å; L389-D725 HydrophobicContact CB-CB 3.49Å; L389-D725 VanDerWaalsContact CB-CB 3.49Å; L389-D725 PolarHBondContact N-OD2 3.48Å; L389-D725 PolarHBondContact O-N 3.14Å | ||
| 390 | V | 25.8 | Very low | 26.1 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 62.3 | 62.9 | 158 | 66.5 | 0 | 0 | 0 | 0 | 121.2 | V724 | V390-V724 VanDerWaalsContact C-CG1 3.44Å; V390-V724 WeakPolarHBondContact O-CG1 3.2Å |
| 391 | R | 25.3 | Very low | 26.5 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 53% | 0.532 | 71% | 0.708 | S | S | . | * | trans | 90.4 | 92.6 | 165.4 | -109 | 170.6 | -179.1 | 70.9 | 4.4 | 124.4 | V724 D725 | R391-V724 VanDerWaalsContact C-CB 3.43Å; R391-V724 VanDerWaalsContact C-CG1 3.45Å; R391-V724 VanDerWaalsContact O-CB 3.29Å; R391-V724 WeakPolarHBondContact O-CB 3.4Å; R391-V724 VanDerWaalsContact O-CG1 3.23Å; R391-V724 WeakPolarHBondContact O-CG1 3.39Å; R391-D725 WeakPolarHBondContact CA-O 3.16Å; R391-D725 VanDerWaalsContact N-C 3.29Å; R391-D725 PolarHBondContact N-O 2.98Å | ||
| 392 | S | 26.7 | Very low | 26.5 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 48% | 0.476 | 70% | 0.695 | S | S | . | * | trans | -27 | 159.7 | 132.3 | -48.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 393 | Q | 27.8 | Very low | 26.8 | Very low | 146 Ų | 146 | 139 Ų | 139 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | 178.3 | 129.7 | 107.3 | -94 | -176.2 | 3.9 | 0 | 0 | 115.9 | |||||
| 394 | N | 28.6 | Very low | 26.7 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | trans | 43.3 | 136.2 | 130.4 | -48.7 | -9.2 | 0 | 0 | 0 | 122.9 | ||||
| 395 | V | 26.2 | Very low | 26.7 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 78% | 0.782 | 70% | 0.695 | S | S | * | * | -139.5 | 145.9 | 105.8 | 173.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 396 | P | 29.4 | Very low | 26.6 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | trans | -130.7 | -178.2 | -168.6 | 44.6 | -29.5 | 0 | 0 | 0 | 116.7 | ||||
| 397 | Q | 28 | Very low | 26.5 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | 63.3 | 127.7 | 146.3 | -81.6 | 175.2 | -14 | 0 | 0 | 122.9 | ||||
| 398 | T | 25.5 | Very low | 26.3 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | -128.6 | 130.1 | 114.8 | 50.1 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 399 | S | 25.2 | Very low | 26.2 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | 67.9 | 142.7 | 51.1 | 83.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 400 | V | 25.8 | Very low | 26 | Very low | 109 Ų | 109 | 121 Ų | 121 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | cis | -140.9 | 153.2 | 10.8 | -148.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 401 | D | 32.4 | Very low | 26 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | -154.7 | 159.5 | 112.9 | -138.9 | -20.4 | 0 | 0 | 0 | 112.9 | |||||
| 402 | N | 26.7 | Very low | 25.9 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | trans | -100.6 | 129 | -150.7 | -62.8 | -91.7 | 0 | 0 | 0 | 114.3 | ||||
| 403 | Q | 29.6 | Very low | 25.7 | Very low | 203 Ų | 203 | 117.3 Ų | 117.3 | 95% | 0.949 | 69% | 0.689 | S | S | * | * | -164.2 | 167.6 | 122.7 | -106.5 | 150.1 | 91.4 | 0 | 0 | 112.1 | |||||
| 404 | S | 24.3 | Very low | 25.6 | Very low | 107 Ų | 107 | 114.3 Ų | 114.3 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | -127.3 | 179.2 | -148.9 | 65.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 405 | S | 25.6 | Very low | 25.4 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | trans | 66.6 | 91.5 | 163.3 | 51.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 406 | S | 23.2 | Very low | 25.7 | Very low | 101 Ų | 101 | 112.8 Ų | 112.8 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | 22.7 | 128.9 | 116 | 62.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 407 | S | 22.1 | Very low | 25.4 | Very low | 111 Ų | 111 | 113.8 Ų | 113.8 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | 67.6 | 150.5 | 135.6 | -58.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 408 | S | 22.3 | Very low | 25.3 | Very low | 106 Ų | 106 | 116 Ų | 116 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | trans | 77.8 | 107.3 | 166.2 | 69.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 409 | T | 22.1 | Very low | 25.6 | Very low | 124 Ų | 124 | 115.3 Ų | 115.3 | 76% | 0.761 | 66% | 0.664 | S | S | * | * | 56.1 | 147.2 | 114.5 | -23 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 410 | I | 23.1 | Very low | 25.7 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 65% | 0.646 | 67% | 0.673 | S | S | * | * | trans | 67.7 | 116.6 | 160.4 | -12.7 | 170.7 | 0 | 0 | 0 | 118 | ||||
| 411 | I | 26.9 | Very low | 25.8 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | 173.5 | 111.8 | 104 | -88.6 | 170.9 | 0 | 0 | 0 | 111.1 | L353 P354 | L353-I411 CarbonylContact C-O 3.58Å; L353-I411 WeakPolarHBondContact CA-O 3.37Å; L353-I411 HydrophobicContact CB-CB 4.28Å; L353-I411 WeakPolarHBondContact CB-O 3.25Å; P354-I411 CarbonylContact O-C 3.5Å; P354-I411 PolarHBondContact O-N 2.85Å | |||
| 412 | S | 22 | Very low | 25.5 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | trans | -29.7 | 148.8 | 153.7 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | P354 | P354-S412 PolarHBondContact O-N 2.83Š| ||
| 413 | S | 22.8 | Very low | 25.7 | Very low | 58 Ų | 58 | 118 Ų | 118 | 41% | 0.406 | 70% | 0.696 | S | S | . | * | cis | 167.1 | 155.1 | 7.4 | 48.7 | 0 | 0 | 0 | 0 | 107.7 | E355 | E355-S413 VanDerWaalsContact OE2-CA 3.27Å; E355-S413 WeakPolarHBondContact OE2-CA 3.5Å; E355-S413 WeakPolarHBondContact OE2-CB 3.17Å | ||
| 414 | S | 25 | Very low | 25.7 | Very low | 83 Ų | 83 | 113.7 Ų | 113.7 | 58% | 0.58 | 69% | 0.686 | S | S | * | * | trans | 62.5 | 176.5 | 160.3 | 79.2 | 0 | 0 | 0 | 0 | 116.7 | Q352 | Q352-S414 PolarHBondContact NE2-O 2.79Š| ||
| 415 | D | 24.2 | Very low | 25.8 | Very low | 98 Ų | 98 | 113.4 Ų | 113.4 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | cis | -145.4 | 162.6 | 3.4 | -166.6 | 17.7 | 0 | 0 | 0 | 112.3 | ||||
| 416 | I | 33.3 | Very low | 25.9 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | trans | -81 | 139.7 | -170.5 | -65.7 | 169.1 | 0 | 0 | 0 | 113.7 | Q609 | I416-Q609 PolarHBondContact O-NE2 2.79Å; I416-Q609 VanDerWaalsContact O-NE2 3.17Å | ||
| 417 | K | 23.3 | Very low | 26.1 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 50% | 0.496 | 68% | 0.684 | S | S | . | * | trans | -156.8 | 128.1 | 158 | -111.5 | 159.8 | -167.5 | 153 | 0 | 116.4 | ||||
| 418 | R | 26.7 | Very low | 26.8 | Very low | 223 Ų | 223 | 119.1 Ų | 119.1 | 84% | 0.842 | 68% | 0.684 | S | S | * | * | trans | 67.7 | 107.7 | 151.4 | -62.6 | -178.1 | 175.5 | -149.2 | -3.1 | 121.3 | ||||
| 419 | P | 30.6 | Very low | 27.1 | Very low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | -76.2 | 166.4 | 126.8 | 34.7 | -36.2 | 0 | 0 | 0 | 111.4 | |||||
| 420 | V | 27.7 | Very low | 27.4 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | cis | -157.9 | 165.6 | -28.5 | -86.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 421 | S | 27.3 | Very low | 27.5 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | trans | -158.5 | 158.5 | 166.5 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 422 | S | 27.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 119.4 Ų | 119.4 | 83% | 0.825 | 68% | 0.675 | S | S | * | * | trans | -144.7 | 163.7 | -167 | 57.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 423 | T | 29.2 | Very low | 27.7 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 87% | 0.865 | 69% | 0.687 | S | S | * | * | trans | -155.4 | 155.8 | 160.4 | 30.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 424 | P | 31.1 | Very low | 27.7 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -137.9 | 175.6 | -144.3 | 42.6 | -25.8 | 0 | 0 | 0 | 119.8 | ||||
| 425 | S | 25.9 | Very low | 27.7 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 83.9 | 145 | 149.8 | 83.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 426 | N | 28.1 | Very low | 28 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | cis | -162.5 | 131.5 | -3.2 | -126.9 | -6.8 | 0 | 0 | 0 | 116.3 | ||||
| 427 | R | 26.9 | Very low | 28.3 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 64% | 0.638 | 74% | 0.735 | S | S | * | * | trans | 61.3 | 165.6 | 143 | -92.6 | 172.7 | 170.6 | -130.9 | -20.6 | 121.3 | E429 | R427-E429 HydrophobicContact CG-CG 4.45Å; R427-E429 VanDerWaalsContact CZ-CG 3.5Å; R427-E429 IonicContact CZ-OE1 2.78Å; R427-E429 VanDerWaalsContact NH1-CG 3.3Å; R427-E429 IonicContact NH1-OE1 2.68Å; R427-E429 PolarHBondContact NH1-OE1 2.87Å; R427-E429 IonicContact NH2-OE1 3.27Å; R427-E429 PolarHBondContact NH2-OE1 3.03Å | ||
| 428 | P | 36.6 | Very low | 28.3 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | cis | -95.9 | 145.8 | 20 | 8.1 | 14.3 | 0 | 0 | 0 | 115 | ||||
| 429 | E | 28.8 | Very low | 28.2 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 48% | 0.477 | 75% | 0.754 | S | S | . | * | 77.1 | 145.3 | 70.3 | -81.1 | -101.3 | 116.1 | 0 | 0 | 115.1 | R427 | R427-E429 HydrophobicContact CG-CG 4.45Å; R427-E429 VanDerWaalsContact CZ-CG 3.5Å; R427-E429 IonicContact CZ-OE1 2.78Å; R427-E429 VanDerWaalsContact NH1-CG 3.3Å; R427-E429 IonicContact NH1-OE1 2.68Å; R427-E429 PolarHBondContact NH1-OE1 2.87Å; R427-E429 IonicContact NH2-OE1 3.27Å; R427-E429 PolarHBondContact NH2-OE1 3.03Å | |||
| 430 | P | 29.5 | Very low | 28.2 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | -124 | 145.9 | 0.4 | 40.7 | -25.2 | 0 | 0 | 0 | 114.5 | ||||
| 431 | L | 24.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | 65.3 | 126.2 | 110.3 | -61.2 | 171.1 | 0 | 0 | 0 | 116 | |||||
| 432 | I | 26 | Very low | 28.2 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | cis | -146 | 126.6 | 20.3 | -96.7 | 137.2 | 0 | 0 | 0 | 113.4 | ||||
| 433 | K | 25.9 | Very low | 28.1 | Very low | 171 Ų | 171 | 144 Ų | 144 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 49 | 112.5 | 145.2 | -55.8 | 175 | -173.1 | 174.2 | 0 | 120.1 | ||||
| 434 | M | 23.3 | Very low | 27.9 | Very low | 171 Ų | 171 | 146 Ų | 146 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | 86.9 | 142.9 | 63.3 | -78.5 | 172.4 | 74.9 | 0 | 0 | 115.2 | |||||
| 435 | H | 24.9 | Very low | 27.8 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | cis | -166.7 | 174.4 | -21.7 | -144.6 | -81.4 | 0 | 0 | 0 | 111.4 | ||||
| 436 | T | 30.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -89.4 | 177 | -172.7 | 36 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 437 | P | 39.3 | Very low | 28.3 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -112.5 | -176 | -146.1 | 44.1 | -40.1 | 0 | 0 | 0 | 120.2 | ||||
| 438 | W | 24.8 | Very low | 28.2 | Very low | 229 Ų | 229 | 146.7 Ų | 146.7 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | 85 | 108.9 | 161.5 | -119 | 80.6 | 0 | 0 | 0 | 120.8 | ||||
| 439 | Q | 23.1 | Very low | 27.6 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -159.7 | 178.5 | 146.7 | -120.8 | -172.5 | 21.5 | 0 | 0 | 110.7 | ||||
| 440 | S | 30.8 | Very low | 27.8 | Very low | 65 Ų | 65 | 146.6 Ų | 146.6 | 46% | 0.455 | 77% | 0.766 | S | S | . | * | trans | -152.8 | 127.3 | 178.9 | 27.2 | 0 | 0 | 0 | 0 | 113.5 | K606 | S440-K606 PolarHBondContact OG-NZ 3.06Š| ||
| 441 | Q | 27.2 | Very low | 27.8 | Very low | 205 Ų | 205 | 149.5 Ų | 149.5 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | trans | -154.6 | 167.9 | 161.5 | -137.2 | 170.3 | 1.2 | 0 | 0 | 112.3 | ||||
| 442 | Q | 28.9 | Very low | 27.9 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -113.8 | -177 | 179.5 | -154 | -178.3 | 15.2 | 0 | 0 | 109 | ||||
| 443 | I | 24.4 | Very low | 27.9 | Very low | 165 Ų | 165 | 151.8 Ų | 151.8 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 81.9 | 131.7 | -177.8 | -51.9 | 174.6 | 0 | 0 | 0 | 112.8 | ||||
| 444 | K | 26.2 | Very low | 27.9 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -95.2 | 159.9 | 175.9 | -64.3 | 179.2 | 177.1 | -179.4 | 0 | 109.8 | ||||
| 445 | S | 28 | Very low | 28.2 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | 54.3 | 116.3 | 152.5 | 50.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 446 | D | 42.5 | Very low | 28.6 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -154.1 | 152.3 | 7.8 | -75.1 | -52.4 | 0 | 0 | 0 | 111.5 | ||||
| 447 | Q | 21.2 | Very low | 28.3 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | 59.2 | 176 | 169.3 | -55 | -178.7 | 14.6 | 0 | 0 | 117.2 | ||||
| 448 | S | 25.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 63.7 | 164.1 | 154.4 | 68.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 449 | S | 23.8 | Very low | 27.7 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -140.4 | -157.3 | -161.2 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 450 | P | 33.5 | Very low | 27.8 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | -94.5 | 176.2 | -128.4 | 42.6 | -35.2 | 0 | 0 | 0 | 115.6 | |||||
| 451 | I | 30.3 | Very low | 27.6 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | 179.3 | 170.4 | 136.9 | -94.1 | 154.8 | 0 | 0 | 0 | 112.5 | ||||
| 452 | N | 25.6 | Very low | 27.5 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -81.7 | 164 | -170.3 | -67 | -85.1 | 0 | 0 | 0 | 116.7 | ||||
| 453 | L | 25.9 | Very low | 27.2 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | 132.6 | 133.8 | 128.7 | -84.1 | 141.4 | 0 | 0 | 0 | 118.8 | |||||
| 454 | S | 27.1 | Very low | 27.2 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 81.2 | 157.5 | 150.2 | 71.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 455 | K | 29.4 | Very low | 27.1 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | trans | -118.9 | -173.6 | 175.9 | -57.3 | -164.2 | -177.3 | 99 | 0 | 107.3 | H610 | K455-H610 PolarHBondContact NZ-CD2 3.47Å; K455-H610 VanDerWaalsContact NZ-CD2 3.32Å; K455-H610 PolarHBondContact NZ-NE2 2.63Å | ||
| 456 | P | 32.4 | Very low | 26.9 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | cis | -156.2 | -172.4 | 15.9 | 48.8 | -26.7 | 0 | 0 | 0 | 120.2 | ||||
| 457 | T | 25.2 | Very low | 26.2 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | 63.2 | 144 | 149 | -28.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 458 | T | 28 | Very low | 26.5 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | 94 | 152 | 148.3 | -18.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 459 | T | 23.4 | Very low | 27 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.693 | 69% | 0.693 | S | S | * | * | -163.9 | 165.6 | -64.2 | -60.4 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 460 | I | 24.5 | Very low | 27.1 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | trans | 75.8 | 141.8 | 170.2 | -46.6 | 179.4 | 0 | 0 | 0 | 113.1 | ||||
| 461 | A | 27.8 | Very low | 26.9 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | cis | -136.8 | 164.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 462 | E | 23.3 | Very low | 27.1 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | 49.9 | 135.5 | 73.2 | -87 | -173.5 | -177.1 | 0 | 0 | 114.9 | |||||
| 463 | V | 22.9 | Very low | 27.4 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | cis | -168.2 | 159.9 | -4.2 | 77.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 464 | I | 24.4 | Very low | 27.5 | Very low | 149 Ų | 149 | 116.6 Ų | 116.6 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | trans | 66 | 155.3 | 161.1 | -81.1 | 165.7 | 0 | 0 | 0 | 118.4 | ||||
| 465 | V | 24.6 | Very low | 27.6 | Very low | 104 Ų | 104 | 117.3 Ų | 117.3 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | cis | -167.5 | 146.5 | -38.4 | 88.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 466 | Q | 24.2 | Very low | 27.7 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 54% | 0.542 | 65% | 0.65 | S | S | . | * | trans | 68 | 157.3 | 160 | -64.1 | -178.5 | 18.6 | 0 | 0 | 119.6 | Q589 T590 | Q466-Q589 PolarHBondContact NE2-O 3.18Å; Q466-T590 PolarHBondContact OE1-O 3.06Å | ||
| 467 | K | 27 | Very low | 27.5 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | cis | -169.6 | 161 | -17.8 | -112.2 | 163.4 | 170.9 | 147.9 | 0 | 114.3 | Q589 T590 T591 | K467-Q589 PolarHBondContact NZ-O 2.63Å; K467-T590 WeakPolarHBondContact CD-O 3.38Å; K467-T590 WeakPolarHBondContact CE-O 3.35Å; K467-T590 PolarHBondContact NZ-O 3.34Å; K467-T591 VanDerWaalsContact CD-N 3.32Å; K467-T591 WeakPolarHBondContact CD-O 3.17Å; K467-T591 WeakPolarHBondContact CE-O 3.22Å; K467-T591 WeakPolarHBondContact CG-O 3.4Å | ||
| 468 | S | 28.8 | Very low | 27.7 | Very low | 71 Ų | 71 | 120 Ų | 120 | 50% | 0.497 | 65% | 0.648 | S | S | . | * | trans | 64.7 | 157.4 | 155.2 | 72.7 | 0 | 0 | 0 | 0 | 119.5 | T592 | S468-T592 WeakPolarHBondContact CB-O 3.43Å; S468-T592 VanDerWaalsContact CB-OG1 3.3Å; S468-T592 WeakPolarHBondContact CB-OG1 3.27Å | ||
| 469 | S | 34.9 | Very low | 27.7 | Very low | 63 Ų | 63 | 118.6 Ų | 118.6 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | trans | -151.3 | 166.4 | -156.5 | 41.4 | 0 | 0 | 0 | 0 | 113.6 | N593 Y594 | S469-N593 PolarHBondContact OG-O 2.74Å; S469-Y594 VanDerWaalsContact O-CD2 3.25Å; S469-Y594 WeakPolarHBondContact O-CD2 3.31Å; S469-Y594 WeakPolarHBondContact O-CE2 3.49Å; S469-Y594 WeakPolarHBondContact OG-CB 3.25Å; S469-Y594 WeakPolarHBondContact OG-CD2 3.26Å | ||
| 470 | I | 26.2 | Very low | 28 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | trans | -162.8 | 130 | 171.6 | -116 | 164.2 | 0 | 0 | 0 | 113.9 | Y594 | I470-Y594 HydrophobicContact CG1-CE2 3.81Å; I470-Y594 VanDerWaalsContact CG1-OH 3.3Å; I470-Y594 WeakPolarHBondContact CG1-OH 3.27Å | ||
| 471 | I | 29.2 | Very low | 28 | Very low | 138 Ų | 138 | 120.8 Ų | 120.8 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | trans | 66.5 | 139 | 150.4 | -60.8 | 172 | 0 | 0 | 0 | 122.4 | ||||
| 472 | T | 34.8 | Very low | 28.4 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | trans | -144.5 | 161.6 | 172.7 | 42.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 473 | P | 32.1 | Very low | 28.6 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 81% | 0.805 | 63% | 0.634 | S | S | * | * | trans | -90.8 | 172.7 | 165.7 | 38 | -35.5 | 0 | 0 | 0 | 113.8 | ||||
| 474 | M | 26.9 | Very low | 28.6 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 40% | 0.399 | 63% | 0.632 | S | S | . | * | trans | -167.9 | 126.8 | -168.8 | 169.1 | 178.2 | 47.2 | 0 | 0 | 115 | H514 P515 | M474-H514 VanDerWaalsContact CE-ND1 3.32Å; M474-H514 WeakPolarHBondContact CE-ND1 3.39Å; M474-H514 PolarHBondContact SD-ND1 3.02Å; M474-P515 VanDerWaalsContact SD-C 3.51Å | ||
| 475 | E | 29.9 | Very low | 28.7 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 62% | 0.617 | 64% | 0.635 | S | S | * | * | trans | -145.5 | 124.1 | 162.3 | -92.8 | -149.6 | 127.8 | 0 | 0 | 114.8 | ||||
| 476 | R | 30.6 | Very low | 28.8 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 48% | 0.475 | 65% | 0.647 | S | S | . | * | 57.4 | 135.4 | 128.7 | -67 | -178.6 | 178.2 | 165.8 | -19.4 | 120.9 | H513 H514 | R476-H513 PolarHBondContact NE-O 2.86Å; R476-H514 WeakPolarHBondContact CA-O 3.36Å; R476-H514 WeakPolarHBondContact CG-O 3.31Å; R476-H514 PolarHBondContact N-O 3.03Å | |||
| 477 | I | 29.8 | Very low | 28.9 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | cis | -164.4 | 179.7 | -1.8 | -144.6 | 168.3 | 0 | 0 | 0 | 107.1 | ||||
| 478 | Q | 28.5 | Very low | 28.8 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 72% | 0.72 | 66% | 0.659 | S | S | * | * | cis | -143.2 | 147.8 | 7.4 | -115.2 | -165.5 | -2.3 | 0 | 0 | 107.8 | ||||
| 479 | S | 27.1 | Very low | 28.8 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 66% | 0.66 | S | S | * | * | 54.2 | 133.7 | 88.8 | 85.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 480 | A | 29.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | cis | -132.2 | -170.7 | 18.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 481 | R | 25.9 | Very low | 28.4 | Very low | 227 Ų | 227 | 131.1 Ų | 131.1 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | trans | -133.4 | 165.3 | -163.8 | -96.8 | -175.5 | 174.3 | 176.1 | -1.4 | 114.6 | ||||
| 482 | P | 36.4 | Very low | 28.3 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 62% | 0.617 | 68% | 0.682 | S | S | * | * | trans | -105.2 | 172.6 | 172.2 | 41.3 | -34.6 | 0 | 0 | 0 | 113.4 | ||||
| 483 | Q | 26.8 | Very low | 28.1 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 54% | 0.537 | 68% | 0.681 | S | S | . | * | trans | -169.4 | 120.1 | 149 | -118.8 | 180 | 12.5 | 0 | 0 | 116.1 | F485 T824 | Q483-F485 HydrophobicContact CG-CD2 4.3Å; Q483-T824 VanDerWaalsContact C-OG1 3.31Å; Q483-T824 WeakPolarHBondContact O-CB 3.3Å; Q483-T824 PolarHBondContact O-OG1 3.17Å | ||
| 484 | Q | 23.2 | Very low | 27.8 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | trans | -96.4 | 143.1 | 147.9 | -97.5 | -169.5 | -18.4 | 0 | 0 | 108.6 | ||||
| 485 | F | 27.3 | Very low | 28 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.833 | 70% | 0.703 | S | S | * | * | trans | -147.7 | 160.8 | 164.7 | -113.4 | -80 | 0 | 0 | 0 | 112.3 | Q483 | Q483-F485 HydrophobicContact CG-CD2 4.3Š| ||
| 486 | L | 25.5 | Very low | 28 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -85.2 | 165.3 | -176.6 | -144.9 | 75.9 | 0 | 0 | 0 | 112.5 | ||||
| 487 | I | 26.5 | Very low | 28.1 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 80% | 0.795 | 73% | 0.732 | S | S | * | * | trans | -86.6 | 136.6 | -178.2 | -61.6 | 157.9 | 0 | 0 | 0 | 111 | ||||
| 488 | E | 25.7 | Very low | 27.9 | Very low | 98 Ų | 98 | 135 Ų | 135 | 46% | 0.458 | 74% | 0.736 | S | S | . | * | -168 | 138.1 | 120 | -105 | -176.2 | -168.3 | 0 | 0 | 112 | K44 | K44-E488 IonicContact NZ-OE1 2.88Å; K44-E488 PolarHBondContact NZ-OE1 2.81Å; K44-E488 IonicContact NZ-OE2 3.63Å | |||
| 489 | H | 28.4 | Very low | 27.8 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 51% | 0.505 | 73% | 0.734 | S | S | . | * | trans | 44.2 | 121.2 | 159.4 | -55.9 | -47.5 | 0 | 0 | 0 | 120.2 | ||||
| 490 | S | 26.3 | Very low | 27.9 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | -146.7 | 155.5 | 62.6 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 491 | I | 25.3 | Very low | 27.9 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -119.1 | 123.1 | 160.7 | -65 | 171.7 | 0 | 0 | 0 | 106.5 | ||||
| 492 | I | 28.6 | Very low | 28.2 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -168.6 | 126.4 | 142.9 | -98.3 | 152.6 | 0 | 0 | 0 | 106.4 | ||||
| 493 | N | 30.6 | Very low | 27.6 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 33.7 | 113.4 | 159.4 | -50.6 | 12.8 | 0 | 0 | 0 | 117.4 | ||||
| 494 | D | 25.8 | Very low | 27.7 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | 50.7 | 102.3 | 64.3 | -58.4 | -45.2 | 0 | 0 | 0 | 112.7 | |||||
| 495 | G | 29.4 | Very low | 27.8 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | -160.2 | 12.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 496 | N | 31.7 | Very low | 27.9 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | trans | 62.8 | 164.6 | 163.9 | -76.3 | -11.1 | 0 | 0 | 0 | 121.8 | ||||
| 497 | A | 32.3 | Very low | 27.9 | Very low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | 63.1 | 89.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 498 | L | 25.1 | Very low | 27.9 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 140.5 | 145.9 | -123.3 | 79.4 | 0 | 0 | 0 | 110 | ||||
| 499 | N | 27.1 | Very low | 28 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | trans | 52.2 | 146.3 | 133.6 | -63 | -1.8 | 0 | 0 | 0 | 120.1 | ||||
| 500 | N | 28 | Very low | 28.2 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | cis | -165.5 | 178.3 | 15.3 | -132.9 | -22.6 | 0 | 0 | 0 | 111.2 | ||||
| 501 | K | 29.8 | Very low | 28.3 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 94.1 | 142.7 | 176.3 | -65.7 | -179.1 | 177.9 | 176.3 | 0 | 114.6 | ||||
| 502 | L | 32.2 | Very low | 28.5 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | cis | -130.5 | 151.4 | 1.8 | -116.9 | 146 | 0 | 0 | 0 | 110.6 | ||||
| 503 | N | 25.1 | Very low | 28.7 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | trans | -109.5 | 110.8 | -179.2 | -179.1 | 11.7 | 0 | 0 | 0 | 110.9 | D505 | N503-D505 PolarHBondContact OD1-N 2.81Å; N503-D505 PolarHBondContact OD1-O 2.86Å | ||
| 504 | I | 28.1 | Very low | 28.7 | Very low | 160 Ų | 160 | 141 Ų | 141 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -140.2 | 69.5 | 154.6 | -49 | 179.6 | 0 | 0 | 0 | 108.3 | ||||
| 505 | D | 24.6 | Very low | 29 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | S | Bend | -167.1 | 145.9 | 124 | -127.7 | -25.4 | 0 | 0 | 0 | 112.3 | N503 | N503-D505 PolarHBondContact OD1-N 2.81Å; N503-D505 PolarHBondContact OD1-O 2.86Å | |
| 506 | K | 28.8 | Very low | 29 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 64.6 | 113 | -172 | -49.7 | 166.8 | -175 | 168.5 | 0 | 115.3 | ||||
| 507 | T | 26.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | -174.4 | 131.4 | 113.3 | 34.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 508 | N | 26.5 | Very low | 28.7 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | trans | -176.2 | 103.4 | 135.5 | -101 | -24.1 | 0 | 0 | 0 | 111.9 | ||||
| 509 | S | 28.8 | Very low | 29 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | 176 | 145 | 124.3 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 510 | H | 31 | Very low | 28.9 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 82% | 0.819 | 66% | 0.662 | S | S | * | * | trans | 68.6 | 133.5 | 164.1 | -62.4 | -57.5 | 0 | 0 | 0 | 122.9 | ||||
| 511 | H | 29.6 | Very low | 29 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | -74.1 | 159.7 | -175.9 | -42 | -71.1 | 0 | 0 | 0 | 114.6 | ||||
| 512 | H | 29.7 | Very low | 28.7 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | trans | -156 | 142.2 | 141.9 | -87.2 | -53.1 | 0 | 0 | 0 | 111.3 | ||||
| 513 | H | 32.9 | Very low | 28.5 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 60% | 0.597 | 66% | 0.661 | S | S | * | * | trans | -172.5 | 116.3 | 144.6 | -109 | -43 | 0 | 0 | 0 | 114.9 | R476 | R476-H513 PolarHBondContact NE-O 2.86Š| ||
| 514 | H | 30.6 | Very low | 28.7 | Very low | 99 Ų | 99 | 129 Ų | 129 | 46% | 0.458 | 67% | 0.667 | S | S | . | * | trans | 63.1 | 161.1 | 141.3 | -87.4 | -32.8 | 0 | 0 | 0 | 121.7 | M474 R476 | M474-H514 VanDerWaalsContact CE-ND1 3.32Å; M474-H514 WeakPolarHBondContact CE-ND1 3.39Å; M474-H514 PolarHBondContact SD-ND1 3.02Å; R476-H514 WeakPolarHBondContact CA-O 3.36Å; R476-H514 WeakPolarHBondContact CG-O 3.31Å; R476-H514 PolarHBondContact N-O 3.03Å | ||
| 515 | P | 31.7 | Very low | 28.7 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 43% | 0.429 | 66% | 0.663 | S | S | . | * | cis | -134.1 | -177.8 | 20.1 | 42.4 | -24.9 | 0 | 0 | 0 | 119.2 | M474 | M474-P515 VanDerWaalsContact SD-C 3.51Š| ||
| 516 | S | 28.1 | Very low | 28.8 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | trans | 90.8 | 142.5 | 166.8 | 81 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 517 | T | 29.7 | Very low | 28.7 | Very low | 61 Ų | 61 | 126.8 Ų | 126.8 | 37% | 0.374 | 65% | 0.651 | S | S | . | * | cis | -164.3 | 138.9 | -15.2 | 12.4 | 0 | 0 | 0 | 0 | 113.5 | L596 S597 | T517-L596 CarbonylContact O-C 3.44Å; T517-L596 WeakPolarHBondContact O-CA 3.12Å; T517-L596 WeakPolarHBondContact O-CB 3.01Å; T517-S597 VanDerWaalsContact O-CA 3.27Å; T517-S597 WeakPolarHBondContact O-CA 3.31Å; T517-S597 PolarHBondContact O-N 3.02Å | ||
| 518 | S | 28.5 | Very low | 28.6 | Very low | 56 Ų | 56 | 128.4 Ų | 128.4 | 39% | 0.392 | 65% | 0.652 | S | S | . | * | trans | 73 | 56.1 | 141.1 | -47.4 | 0 | 0 | 0 | 0 | 127.8 | L596 S598 | S518-L596 WeakPolarHBondContact O-CA 3.47Å; S518-L596 PolarHBondContact O-N 2.92Å; S518-S598 VanDerWaalsContact CB-CB 3.44Å; S518-S598 WeakPolarHBondContact CB-OG 3.33Å; S518-S598 VanDerWaalsContact OG-CB 3.25Å; S518-S598 WeakPolarHBondContact OG-CB 3.45Å; S518-S598 PolarHBondContact OG-OG 3.36Å | ||
| 519 | K | 30.8 | Very low | 28.5 | Very low | 182 Ų | 182 | 125.4 Ų | 125.4 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | trans | 57 | 112.4 | 156.8 | -70.3 | -176.2 | 178.6 | -177.2 | 0 | 125.8 | L596 | K519-L596 VanDerWaalsContact C-N 3.31Å; K519-L596 PolarHBondContact O-N 3.04Å | ||
| 520 | S | 26.8 | Very low | 28.6 | Very low | 38 Ų | 38 | 129.3 Ų | 129.3 | 27% | 0.266 | 64% | 0.643 | S | S | . | * | trans | -69.7 | 166.3 | 136.2 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 521 | I | 29.7 | Very low | 28.2 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | -169.6 | 146.1 | 78.9 | -80.7 | 166.2 | 0 | 0 | 0 | 110.2 | |||||
| 522 | L | 23.9 | Very low | 28.2 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | trans | -115.2 | 164.5 | 165.3 | -103.9 | 167.2 | 0 | 0 | 0 | 110.5 | ||||
| 523 | E | 26.5 | Very low | 28.2 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | trans | -71 | 145.2 | 176.3 | -62.1 | -179.9 | 108.9 | 0 | 0 | 113.4 | ||||
| 524 | E | 29.2 | Very low | 28 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | -175.7 | 134.5 | 129 | -94.6 | 176.8 | 152.4 | 0 | 0 | 107.1 | |||||
| 525 | I | 27.9 | Very low | 28 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | cis | 84.6 | 129.8 | 45 | -67.8 | 172.6 | 0 | 0 | 0 | 112.2 | ||||
| 526 | R | 26.8 | Very low | 27.9 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 60% | 0.596 | 68% | 0.683 | S | S | * | * | cis | -126.7 | -100.9 | -16.3 | -172.6 | -167.8 | 150.6 | -125.9 | 4 | 109.5 | D529 | R526-D529 IonicContact CZ-OD1 3.62Å; R526-D529 VanDerWaalsContact CZ-OD1 3.24Å; R526-D529 IonicContact NH1-OD1 3.15Å; R526-D529 PolarHBondContact NH1-OD1 3.01Å; R526-D529 IonicContact NH2-OD1 2.79Å; R526-D529 PolarHBondContact NH2-OD1 3.34Å | ||
| 527 | I | 27.9 | Very low | 27.7 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | cis | -149.8 | 113.1 | -15.2 | -23.5 | 175.4 | 0 | 0 | 0 | 105.5 | ||||
| 528 | M | 23.5 | Very low | 27.7 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | 153.6 | 157 | 104.8 | -77.9 | 176.3 | 78.2 | 0 | 0 | 106.1 | |||||
| 529 | D | 25.9 | Very low | 27.6 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 53% | 0.529 | 72% | 0.724 | S | S | . | * | cis | -147.2 | 153.8 | -31.3 | -83.8 | -31.2 | 0 | 0 | 0 | 105.7 | R526 | R526-D529 IonicContact CZ-OD1 3.62Å; R526-D529 VanDerWaalsContact CZ-OD1 3.24Å; R526-D529 IonicContact NH1-OD1 3.15Å; R526-D529 PolarHBondContact NH1-OD1 3.01Å; R526-D529 IonicContact NH2-OD1 2.79Å; R526-D529 PolarHBondContact NH2-OD1 3.34Å | ||
| 530 | E | 29.1 | Very low | 27.5 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | -153.9 | 176 | 73.9 | -70.5 | -169 | 147.2 | 0 | 0 | 113.5 | |||||
| 531 | L | 23.6 | Very low | 27.6 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | -148.3 | 146.6 | 167.9 | -115.6 | 167.1 | 0 | 0 | 0 | 106.6 | T533 | L531-T533 HydrophobicContact CD2-CG2 4.45Š| ||
| 532 | P | 28.7 | Very low | 27.4 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | -151.3 | 153 | 90.6 | 38.6 | -21.1 | 0 | 0 | 0 | 117 | |||||
| 533 | T | 30.3 | Very low | 28 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | -73.8 | 163.1 | 155.1 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | L531 | L531-T533 HydrophobicContact CD2-CG2 4.45Š| ||
| 534 | P | 29 | Very low | 28.1 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | -149.8 | 151.1 | 111.8 | 36.9 | -21.6 | 0 | 0 | 0 | 117.3 | |||||
| 535 | F | 29.5 | Very low | 27.9 | Very low | 204 Ų | 204 | 129.8 Ų | 129.8 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | trans | -104.2 | 141.5 | 135.2 | -111.2 | -82.3 | 0 | 0 | 0 | 106.3 | ||||
| 536 | P | 30.4 | Very low | 27.8 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | -152.4 | 145.5 | 115.5 | 36.1 | -18.2 | 0 | 0 | 0 | 117.3 | |||||
| 537 | A | 23.7 | Very low | 28.3 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | trans | 28.5 | 130.7 | 138 | 0 | 0 | 0 | 0 | 0 | 123.3 | V539 | A537-V539 HydrophobicContact CB-CG2 4.07Š| ||
| 538 | Y | 30 | Very low | 28.2 | Very low | 240 Ų | 240 | 124.3 Ų | 124.3 | 94% | 0.941 | 75% | 0.746 | S | S | * | * | -131.7 | 155.8 | 121.1 | -129.1 | -93 | 0 | 0 | 0 | 109.6 | |||||
| 539 | V | 26.1 | Very low | 28.4 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | trans | -137.5 | 130.1 | -152.7 | 177.6 | 0 | 0 | 0 | 0 | 115.4 | A537 | A537-V539 HydrophobicContact CB-CG2 4.07Š| ||
| 540 | A | 28.4 | Very low | 28.4 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -169.8 | 139.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 541 | S | 28.8 | Very low | 29.1 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | cis | -149.8 | 124.3 | -5.7 | 46.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 542 | A | 27.3 | Very low | 29.6 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | 77.7 | 144.5 | 67.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 543 | P | 34.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 111.7 Ų | 111.7 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | cis | -139.5 | 171.6 | -5.7 | 39.8 | -21.1 | 0 | 0 | 0 | 117.5 | ||||
| 544 | T | 30.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 112.9 Ų | 112.9 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | 45.3 | 124.1 | 146.9 | 51 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 545 | A | 25 | Very low | 29.4 | Very low | 82 Ų | 82 | 113.4 Ų | 113.4 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | cis | 82.3 | 148.8 | 17 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 546 | T | 25.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 113.4 Ų | 113.4 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | trans | 70.9 | 159.1 | 158.7 | 46.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 547 | P | 36.9 | Very low | 29.2 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | cis | -147 | -176.9 | -33.1 | 40.5 | -22.5 | 0 | 0 | 0 | 116.8 | ||||
| 548 | A | 26.1 | Very low | 29.4 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | 90.5 | 154.5 | 131.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 549 | L | 27.2 | Very low | 29.2 | Very low | 103 Ų | 103 | 113.3 Ų | 113.3 | 54% | 0.539 | 69% | 0.689 | S | S | . | * | trans | 63.7 | 119.2 | 150.8 | -73.1 | 158.3 | 0 | 0 | 0 | 121 | ||||
| 550 | K | 25.6 | Very low | 29.2 | Very low | 98 Ų | 98 | 115.8 Ų | 115.8 | 43% | 0.426 | 70% | 0.698 | S | S | . | * | 29.3 | 105.7 | 124.6 | -61.1 | -172.7 | 172.4 | -171.7 | 0 | 116.6 | Y1572 P1573 I1574 | K550-Y1572 CarbonylContact O-C 3.22Å; K550-Y1572 VanDerWaalsContact O-O 3.11Å; K550-P1573 CarbonylContact C-O 2.98Å; K550-P1573 WeakPolarHBondContact CA-O 3.24Å; K550-P1573 WeakPolarHBondContact CB-O 3.43Å; K550-P1573 WeakPolarHBondContact O-CD 3.4Å; K550-I1574 HydrophobicContact CB-CB 4.41Å; K550-I1574 HydrophobicContact CD-CB 4.32Å; K550-I1574 HydrophobicContact CD-CD1 4.02Å; K550-I1574 HydrophobicContact CG-CD1 4.33Å | |||
| 551 | P | 44.3 | Very low | 29.1 | Very low | 95 Ų | 95 | 115.6 Ų | 115.6 | 62% | 0.617 | 69% | 0.691 | S | S | * | * | trans | -99.9 | 161.6 | 160.1 | 37.9 | -32.9 | 0 | 0 | 0 | 112 | P1573 | P551-P1573 CarbonylContact C-O 3.45Å; P551-P1573 VanDerWaalsContact CA-O 3.31Å; P551-P1573 WeakPolarHBondContact CA-O 3.04Å; P551-P1573 VanDerWaalsContact N-O 3.15Å | ||
| 552 | P | 33.2 | Very low | 28.9 | Very low | 70 Ų | 70 | 116.8 Ų | 116.8 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | cis | -149.7 | -139.3 | 41 | 41.7 | -16.8 | 0 | 0 | 0 | 113.3 | P1573 S1575 | P552-P1573 WeakPolarHBondContact O-CG 3.28Å; P552-S1575 VanDerWaalsContact CD-O 3.31Å; P552-S1575 WeakPolarHBondContact CD-O 3.39Å; P552-S1575 WeakPolarHBondContact CG-O 3.34Å | ||
| 553 | G | 27.9 | Very low | 28.8 | Very low | 72 Ų | 72 | 117.5 Ų | 117.5 | 74% | 0.742 | 69% | 0.693 | S | S | * | * | trans | 167.5 | 47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 554 | L | 26 | Very low | 28.4 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | trans | 57.3 | 122.5 | 173.4 | -84.1 | 163.7 | 0 | 0 | 0 | 119.9 | ||||
| 555 | N | 30.6 | Very low | 28.2 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 65% | 0.652 | 70% | 0.704 | S | S | * | * | trans | 59.1 | 113.9 | 149 | -68.2 | -2.3 | 0 | 0 | 0 | 121.8 | ||||
| 556 | Y | 28 | Very low | 28.3 | Very low | 205 Ų | 205 | 124.3 Ų | 124.3 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | 52 | 147.2 | 114.7 | -66.1 | -53.8 | 0 | 0 | 0 | 121.2 | |||||
| 557 | Q | 28.7 | Very low | 28.2 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | cis | -159.6 | 168.9 | 16.1 | -138 | 178.1 | 11.6 | 0 | 0 | 114.3 | ||||
| 558 | L | 26.3 | Very low | 27.7 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | trans | 76.2 | 118.2 | 148.8 | -114.3 | 73.3 | 0 | 0 | 0 | 122.5 | ||||
| 559 | N | 26.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | trans | 45.6 | 125.6 | 132.2 | -61.9 | 5.8 | 0 | 0 | 0 | 121.5 | ||||
| 560 | N | 26.5 | Very low | 27.8 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | trans | -132 | 133.4 | 155.6 | -135.9 | -5.3 | 0 | 0 | 0 | 109.6 | ||||
| 561 | S | 25.3 | Very low | 27.9 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | trans | -107.2 | 152.1 | 171.1 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 562 | T | 25.5 | Very low | 27.2 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 57.8 | 120.2 | 157.4 | 50.9 | 0 | 0 | 0 | 0 | 120.3 | ||
| 563 | S | 24.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 78.5 | 100.2 | 138.4 | -165.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 564 | K | 26.8 | Very low | 26.9 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | 57 | 107.5 | 133.2 | -63.4 | -174.7 | 175.9 | -176.9 | 0 | 120.8 | ||||
| 565 | H | 26.2 | Very low | 27 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | trans | 70.4 | 131.9 | 138.3 | -83 | -61.9 | 0 | 0 | 0 | 122.7 | ||||
| 566 | A | 25.3 | Very low | 26.9 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | 75.7 | 93.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 567 | E | 24.2 | Very low | 26.9 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | 76.9 | 117 | 125.8 | -74.1 | -169.2 | -161 | 0 | 0 | 122.7 | |||||
| 568 | N | 26.2 | Very low | 26.8 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | 101.5 | 114.5 | 124.1 | -79.2 | -30.9 | 0 | 0 | 0 | 122.5 | |||||
| 569 | I | 27.5 | Very low | 26.9 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | 97.1 | 90.3 | 128.5 | -67.3 | 170.8 | 0 | 0 | 0 | 120.4 | |||||
| 570 | I | 28.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | 80.5 | 101.8 | 118.6 | -70.4 | 172.8 | 0 | 0 | 0 | 122.3 | |||||
| 571 | Q | 27.1 | Very low | 27.6 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | 85 | 130.2 | 122.5 | -70.9 | -176.4 | 38.7 | 0 | 0 | 126 | |||||
| 572 | K | 29.6 | Very low | 28.1 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | trans | 84.1 | 136.6 | 132 | -81.8 | 175 | -179.6 | 153.9 | 0 | 121 | ||||
| 573 | T | 27.8 | Very low | 28.2 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | cis | -139.8 | -124.8 | -16.5 | -18.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 574 | T | 27 | Very low | 28.6 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | cis | -166.5 | 148 | 1.1 | -28 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 575 | I | 28.9 | Very low | 28.7 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 83% | 0.831 | 71% | 0.705 | S | S | * | * | trans | 67.5 | 125.8 | 173.2 | -52.5 | 171.3 | 0 | 0 | 0 | 112.4 | ||||
| 576 | S | 28.1 | Very low | 28.8 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | cis | -165.2 | 164.8 | 14.9 | 36.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 577 | S | 28.6 | Very low | 29 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | cis | -174.3 | 127.8 | -9.2 | 45.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 578 | Y | 26.9 | Very low | 29 | Very low | 223 Ų | 223 | 124.9 Ų | 124.9 | 88% | 0.875 | 69% | 0.691 | S | S | * | * | trans | 61.6 | 151.1 | 150.5 | -72.8 | -110.5 | 0 | 0 | 0 | 121.2 | ||||
| 579 | S | 28.4 | Very low | 29 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | cis | -177.9 | -176.7 | -24.8 | -144.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 580 | P | 34.6 | Very low | 28.9 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | -137.9 | 172.1 | -79.8 | 42.8 | -25.3 | 0 | 0 | 0 | 117.8 | |||||
| 581 | G | 33.2 | Very low | 28.6 | Very low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | trans | 76.3 | -175.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 582 | V | 34 | Very low | 28.6 | Very low | 122 Ų | 122 | 117.1 Ų | 117.1 | 74% | 0.739 | 66% | 0.66 | S | S | * | * | cis | -172.3 | 139.7 | -19.4 | 123.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 583 | S | 28.6 | Very low | 28.4 | Very low | 66 Ų | 66 | 113.2 Ų | 113.2 | 46% | 0.462 | 65% | 0.647 | S | S | . | * | trans | 60.9 | 172.8 | 157.4 | -74.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 584 | Q | 33.1 | Very low | 28.5 | Very low | 152 Ų | 152 | 112.1 Ų | 112.1 | 71% | 0.71 | 63% | 0.631 | S | S | * | * | cis | -156.1 | 148.9 | -17.4 | -109.5 | 168.6 | 27.5 | 0 | 0 | 108.4 | ||||
| 585 | L | 27.9 | Very low | 28.6 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 59% | 0.586 | 62% | 0.622 | S | S | * | * | 47.1 | 138.8 | 97.5 | -74.3 | 141.4 | 0 | 0 | 0 | 115.1 | |||||
| 586 | L | 28.4 | Very low | 28.5 | Very low | 128 Ų | 128 | 107.3 Ų | 107.3 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | cis | -174.7 | 166 | 46.2 | -171 | 56.3 | 0 | 0 | 0 | 114.3 | ||||
| 587 | H | 30.8 | Very low | 28.6 | Very low | 151 Ų | 151 | 107 Ų | 107 | 70% | 0.699 | 60% | 0.6 | S | S | * | * | trans | 56.8 | 100.9 | 159.5 | -70.5 | 149.7 | 0 | 0 | 0 | 125.3 | ||||
| 588 | T | 24 | Very low | 28.4 | Very low | 113 Ų | 113 | 105.6 Ų | 105.6 | 69% | 0.693 | 59% | 0.59 | S | S | * | * | 20.8 | 139.5 | 108.1 | 59.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 589 | Q | 26 | Very low | 28.2 | Very low | 142 Ų | 142 | 100.2 Ų | 100.2 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | -174.1 | 164.3 | 102.9 | -107.6 | -175 | -3.8 | 0 | 0 | 115.6 | Q466 K467 | Q466-Q589 PolarHBondContact NE2-O 3.18Å; K467-Q589 PolarHBondContact NZ-O 2.63Å | |||
| 590 | T | 24.1 | Very low | 28 | Very low | 87 Ų | 87 | 101.1 Ų | 101.1 | 53% | 0.534 | 58% | 0.582 | S | S | . | * | trans | -15.7 | 156.1 | 160.9 | 44 | 0 | 0 | 0 | 0 | 119.6 | Q466 K467 | Q466-T590 PolarHBondContact OE1-O 3.06Å; K467-T590 WeakPolarHBondContact CD-O 3.38Å; K467-T590 WeakPolarHBondContact CE-O 3.35Å; K467-T590 PolarHBondContact NZ-O 3.34Å | ||
| 591 | T | 24.5 | Very low | 27.3 | Very low | 60 Ų | 60 | 101 Ų | 101 | 37% | 0.368 | 58% | 0.579 | S | S | . | * | cis | -156.2 | 168.7 | -3 | 38.7 | 0 | 0 | 0 | 0 | 110.1 | K467 | K467-T591 VanDerWaalsContact CD-N 3.32Å; K467-T591 WeakPolarHBondContact CD-O 3.17Å; K467-T591 WeakPolarHBondContact CE-O 3.22Å; K467-T591 WeakPolarHBondContact CG-O 3.4Å | ||
| 592 | T | 25.3 | Very low | 27 | Very low | 73 Ų | 73 | 103.4 Ų | 103.4 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | trans | 51.9 | 164.6 | 145.1 | 53.2 | 0 | 0 | 0 | 0 | 121.9 | S468 | S468-T592 WeakPolarHBondContact CB-O 3.43Å; S468-T592 VanDerWaalsContact CB-OG1 3.3Å; S468-T592 WeakPolarHBondContact CB-OG1 3.27Å | ||
| 593 | N | 26.6 | Very low | 26.4 | Very low | 85 Ų | 85 | 103 Ų | 103 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | cis | -158.8 | -176.8 | -24.8 | -108.8 | -9.1 | 0 | 0 | 0 | 109.4 | S469 | S469-N593 PolarHBondContact OG-O 2.74Š| ||
| 594 | Y | 29.1 | Very low | 26.2 | Very low | 96 Ų | 96 | 104.9 Ų | 104.9 | 38% | 0.376 | 59% | 0.592 | S | S | . | * | trans | 90 | 140.9 | 158 | -74.3 | -88.8 | 0 | 0 | 0 | 120.5 | S469 I470 | S469-Y594 VanDerWaalsContact O-CD2 3.25Å; S469-Y594 WeakPolarHBondContact O-CD2 3.31Å; S469-Y594 WeakPolarHBondContact O-CE2 3.49Å; S469-Y594 WeakPolarHBondContact OG-CB 3.25Å; S469-Y594 WeakPolarHBondContact OG-CD2 3.26Å; I470-Y594 HydrophobicContact CG1-CE2 3.81Å; I470-Y594 VanDerWaalsContact CG1-OH 3.3Å; I470-Y594 WeakPolarHBondContact CG1-OH 3.27Å | ||
| 595 | D | 29.8 | Very low | 25.8 | Very low | 91 Ų | 91 | 105.7 Ų | 105.7 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | trans | 70 | 133.3 | 146.8 | -62.6 | -10.4 | 0 | 0 | 0 | 122.5 | ||||
| 596 | L | 27.5 | Very low | 25.6 | Very low | 79 Ų | 79 | 105.8 Ų | 105.8 | 41% | 0.414 | 59% | 0.591 | S | S | . | * | cis | 77.8 | 58.1 | 39.7 | -56.1 | 136 | 0 | 0 | 0 | 113.9 | T517 S518 K519 | T517-L596 CarbonylContact O-C 3.44Å; T517-L596 WeakPolarHBondContact O-CA 3.12Å; T517-L596 WeakPolarHBondContact O-CB 3.01Å; S518-L596 WeakPolarHBondContact O-CA 3.47Å; S518-L596 PolarHBondContact O-N 2.92Å; K519-L596 VanDerWaalsContact C-N 3.31Å; K519-L596 PolarHBondContact O-N 3.04Å | ||
| 597 | S | 29.2 | Very low | 25.4 | Very low | 98 Ų | 98 | 105.4 Ų | 105.4 | 69% | 0.685 | 59% | 0.59 | S | S | * | * | trans | -162.8 | 170 | 134.3 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | T517 | T517-S597 VanDerWaalsContact O-CA 3.27Å; T517-S597 WeakPolarHBondContact O-CA 3.31Å; T517-S597 PolarHBondContact O-N 3.02Å | ||
| 598 | S | 23.9 | Very low | 25 | Very low | 64 Ų | 64 | 103.6 Ų | 103.6 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | trans | -149.8 | 162.8 | -168.4 | 55.7 | 0 | 0 | 0 | 0 | 115 | S518 | S518-S598 VanDerWaalsContact CB-CB 3.44Å; S518-S598 WeakPolarHBondContact CB-OG 3.33Å; S518-S598 VanDerWaalsContact OG-CB 3.25Å; S518-S598 WeakPolarHBondContact OG-CB 3.45Å; S518-S598 PolarHBondContact OG-OG 3.36Å | ||
| 599 | T | 22.9 | Very low | 25 | Very low | 110 Ų | 110 | 101 Ų | 101 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | trans | 85.6 | 101.9 | 156.2 | -46.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 600 | T | 23.8 | Very low | 25.3 | Very low | 116 Ų | 116 | 98.2 Ų | 98.2 | 71% | 0.712 | 55% | 0.548 | S | S | * | . | trans | 60 | -168.5 | 160.3 | 65.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 601 | V | 20.4 | Very low | 25.5 | Very low | 112 Ų | 112 | 99.3 Ų | 99.3 | 68% | 0.679 | 55% | 0.55 | S | S | * | * | trans | 56.1 | 75 | -176.8 | -161.4 | 0 | 0 | 0 | 0 | 110.3 | V603 | V601-V603 HydrophobicContact CG1-CB 4.23Å; V601-V603 HydrophobicContact CG1-CG2 4.08Å | ||
| 602 | T | 26.4 | Very low | 25.7 | Very low | 114 Ų | 114 | 99.4 Ų | 99.4 | 70% | 0.699 | 55% | 0.546 | S | S | * | . | cis | 52.2 | -174.9 | 44.8 | -28.8 | 0 | 0 | 0 | 0 | 110.5 | S604 | T602-S604 VanDerWaalsContact C-N 3.29Å; T602-S604 PolarHBondContact O-N 3.23Å | ||
| 603 | V | 22.1 | Very low | 25.8 | Very low | 114 Ų | 114 | 99 Ų | 99 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | trans | 60.4 | 34.9 | 173.5 | -153.3 | 0 | 0 | 0 | 0 | 114.6 | V601 | V601-V603 HydrophobicContact CG1-CB 4.23Å; V601-V603 HydrophobicContact CG1-CG2 4.08Å | ||
| 604 | S | 23.8 | Very low | 25.7 | Very low | 106 Ų | 106 | 100.3 Ų | 100.3 | 74% | 0.741 | 54% | 0.543 | S | S | * | . | -144 | 100.7 | 125.5 | -163.8 | 0 | 0 | 0 | 0 | 109.8 | T602 K606 | T602-S604 VanDerWaalsContact C-N 3.29Å; T602-S604 PolarHBondContact O-N 3.23Å; S604-K606 PolarHBondContact OG-N 3.27Å | |||
| 605 | H | 24.6 | Very low | 25.5 | Very low | 169 Ų | 169 | 102 Ų | 102 | 78% | 0.782 | 55% | 0.554 | S | S | * | * | cis | 46.9 | 46 | 1.6 | -118.3 | -44 | 0 | 0 | 0 | 116.7 | ||||
| 606 | K | 23.5 | Very low | 25.2 | Very low | 113 Ų | 113 | 105 Ų | 105 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | trans | -143 | 120.5 | 130.6 | -108.4 | 150.4 | -168.6 | 178.7 | 0 | 112.3 | S440 S604 | S440-K606 PolarHBondContact OG-NZ 3.06Å; S604-K606 PolarHBondContact OG-N 3.27Å | ||
| 607 | N | 25 | Very low | 24.9 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 65% | 0.647 | 58% | 0.577 | S | S | * | * | trans | 74.9 | 107.3 | 141.1 | -61.9 | 0.1 | 0 | 0 | 0 | 115.9 | ||||
| 608 | H | 23.3 | Very low | 24.5 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | 68 | 135.5 | 71.7 | -78.8 | -53.8 | 0 | 0 | 0 | 111.8 | |||||
| 609 | Q | 23.3 | Very low | 24.5 | Very low | 59 Ų | 59 | 115.5 Ų | 115.5 | 28% | 0.276 | 59% | 0.587 | S | S | . | * | trans | 57.2 | 87 | 138.1 | -58.2 | 162.3 | 3.3 | 0 | 0 | 113.8 | I416 L611 | I416-Q609 PolarHBondContact O-NE2 2.79Å; I416-Q609 VanDerWaalsContact O-NE2 3.17Å; Q609-L611 HydrophobicContact CG-CB 4.38Å; Q609-L611 HydrophobicContact CG-CD2 4.04Å | ||
| 610 | H | 33.2 | Very low | 24.9 | Very low | 83 Ų | 83 | 116.4 Ų | 116.4 | 38% | 0.384 | 60% | 0.598 | S | S | . | * | -129 | 134.8 | 57.3 | -67.6 | -84.6 | 0 | 0 | 0 | 114.7 | Q341 K455 Q612 | Q341-H610 VanDerWaalsContact CD-CD2 3.42Å; Q341-H610 HydrophobicContact CG-CB 3.33Å; Q341-H610 PolarHBondContact OE1-CD2 2.73Å; K455-H610 PolarHBondContact NZ-CD2 3.47Å; K455-H610 VanDerWaalsContact NZ-CD2 3.32Å; K455-H610 PolarHBondContact NZ-NE2 2.63Å; H610-Q612 PolarHBondContact CE1-OE1 3.28Å; H610-Q612 PolarHBondContact ND1-OE1 3.14Å | |||
| 611 | L | 27.1 | Very low | 25.1 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | cis | 40.1 | 83.4 | 7.4 | -163.2 | 112.3 | 0 | 0 | 0 | 116.3 | Q609 | Q609-L611 HydrophobicContact CG-CB 4.38Å; Q609-L611 HydrophobicContact CG-CD2 4.04Å | ||
| 612 | Q | 28.7 | Very low | 25.7 | Very low | 62 Ų | 62 | 112.7 Ų | 112.7 | 29% | 0.29 | 57% | 0.573 | S | S | . | * | trans | -157.1 | 129.7 | 136.3 | -119 | -178.7 | -19.9 | 0 | 0 | 109.5 | Q341 H610 | Q341-Q612 WeakPolarHBondContact CA-O 3.13Å; Q341-Q612 PolarHBondContact N-O 2.79Å; H610-Q612 PolarHBondContact CE1-OE1 3.28Å; H610-Q612 PolarHBondContact ND1-OE1 3.14Å | ||
| 613 | Q | 26.6 | Very low | 25.9 | Very low | 64 Ų | 64 | 115.3 Ų | 115.3 | 30% | 0.299 | 58% | 0.583 | S | S | . | * | trans | 64.1 | 179.4 | 148.3 | -65.6 | 162.5 | -74 | 0 | 0 | 115.8 | K343 Q615 | K343-Q613 VanDerWaalsContact C-NE2 3.26Å; K343-Q613 PolarHBondContact O-NE2 3.15Å; Q613-Q615 HydrophobicContact CG-CG 4.49Å | ||
| 614 | Q | 25.4 | Very low | 26.4 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | cis | -111 | 111 | -22.6 | -144.7 | 107 | 15.9 | 0 | 0 | 106.3 | T342 | T342-Q614 PolarHBondContact O-OE1 2.81Š| ||
| 615 | Q | 24.1 | Very low | 26.5 | Very low | 133 Ų | 133 | 114.5 Ų | 114.5 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | 45.2 | 158.8 | 96 | -43 | 177.1 | -61 | 0 | 0 | 117 | Q613 | Q613-Q615 HydrophobicContact CG-CG 4.49Š| |||
| 616 | H | 23.7 | Very low | 26.7 | Very low | 153 Ų | 153 | 110.2 Ų | 110.2 | 71% | 0.708 | 57% | 0.572 | S | S | * | * | trans | 54.9 | 80.3 | 137.3 | -154.3 | -5.1 | 0 | 0 | 0 | 115.1 | ||||
| 617 | R | 21.7 | Very low | 26.9 | Very low | 178 Ų | 178 | 110.3 Ų | 110.3 | 67% | 0.672 | 58% | 0.577 | S | S | * | * | trans | 106.4 | 149.4 | 162.3 | -54.7 | 142.7 | -152.2 | -160.2 | 5.1 | 115.4 | ||||
| 618 | R | 20.9 | Very low | 27.1 | Very low | 200 Ų | 200 | 108.9 Ų | 108.9 | 76% | 0.755 | 58% | 0.576 | S | S | * | * | cis | -178.4 | 171.4 | -22.8 | -101.3 | 177.5 | -172.2 | 160.4 | -2 | 105 | ||||
| 619 | S | 23.5 | Very low | 27.3 | Very low | 83 Ų | 83 | 107.9 Ų | 107.9 | 58% | 0.58 | 58% | 0.581 | S | S | * | * | trans | 35.4 | 99.2 | 140.3 | 67.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 620 | S | 32.7 | Very low | 27.7 | Very low | 130 Ų | 130 | 110 Ų | 110 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | -120.5 | 78.6 | 124.9 | 61.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 621 | S | 26.9 | Very low | 27.8 | Very low | 46 Ų | 46 | 110.4 Ų | 110.4 | 32% | 0.322 | 62% | 0.621 | S | S | . | * | trans | -92 | 174.7 | 167.4 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | I627 | S621-I627 VanDerWaalsContact CB-CD1 3.48Å; S621-I627 WeakPolarHBondContact OG-CD1 3.5Å | ||
| 622 | N | 34.3 | Very low | 27.6 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | trans | 78.7 | 148.7 | 165.2 | -47.6 | -26.8 | 0 | 0 | 0 | 113.4 | ||||
| 623 | N | 29.4 | Very low | 27.4 | Very low | 170 Ų | 170 | 114 Ų | 114 | 91% | 0.909 | 66% | 0.656 | S | S | * | * | S | Bend | cis | -106 | 63.1 | 23.1 | -70.9 | -15.8 | 0 | 0 | 0 | 116.9 | ||
| 624 | S | 33 | Very low | 27.7 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -154.4 | 152.7 | 132 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 625 | S | 26 | Very low | 27.7 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | trans | -39.3 | 148.2 | 176.4 | 47.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 626 | S | 27.5 | Very low | 27.9 | Very low | 80 Ų | 80 | 120.9 Ų | 120.9 | 56% | 0.559 | 70% | 0.701 | S | S | * | * | cis | -174.3 | 157.3 | -2.5 | 47.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 627 | I | 28.7 | Very low | 28.1 | Very low | 115 Ų | 115 | 118.4 Ų | 118.4 | 59% | 0.59 | 70% | 0.701 | S | S | * | * | cis | 46.8 | 52.1 | 38.5 | -44.1 | -162.4 | 0 | 0 | 0 | 114 | S621 | S621-I627 VanDerWaalsContact CB-CD1 3.48Å; S621-I627 WeakPolarHBondContact OG-CD1 3.5Å | ||
| 628 | S | 29.1 | Very low | 28.2 | Very low | 90 Ų | 90 | 115.6 Ų | 115.6 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | trans | -169.4 | 137.2 | 140.4 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 629 | S | 28.3 | Very low | 28.5 | Very low | 91 Ų | 91 | 108.7 Ų | 108.7 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | 177.5 | 123.9 | -51.2 | 43.8 | 0 | 0 | 0 | 0 | 108.6 | S631 | S629-S631 PolarHBondContact O-OG 2.97Š| |||
| 630 | A | 31.1 | Very low | 28.7 | Very low | 103 Ų | 103 | 108.9 Ų | 108.9 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 52.2 | -153 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 631 | S | 34.2 | Very low | 28.5 | Very low | 92 Ų | 92 | 107.7 Ų | 107.7 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 19.7 | 131.3 | 151.2 | 52.9 | 0 | 0 | 0 | 0 | 120 | S629 | S629-S631 PolarHBondContact O-OG 2.97Š|
| 632 | T | 23.5 | Very low | 28.6 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 87% | 0.865 | 70% | 0.702 | S | S | * | * | trans | 88 | 133.9 | 172.2 | 71.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 633 | S | 24.9 | Very low | 28.7 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | -54 | 163.7 | 154.2 | -42.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 634 | P | 33.5 | Very low | 28.4 | Very low | 111 Ų | 111 | 111.9 Ų | 111.9 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | cis | -155.4 | 179.5 | 38 | 43.1 | -21.2 | 0 | 0 | 0 | 119.9 | ||||
| 635 | R | 25.4 | Very low | 28 | Very low | 230 Ų | 230 | 114 Ų | 114 | 87% | 0.868 | 70% | 0.699 | S | S | * | * | trans | 73.4 | 138.3 | 140 | -91.1 | 178.2 | 177.7 | -170 | -0.4 | 123.1 | ||||
| 636 | S | 28.1 | Very low | 28.3 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | trans | 78.6 | 140.1 | 135.7 | 56.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 637 | S | 26.8 | Very low | 28.3 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | -89.1 | 160.8 | 163.1 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 638 | C | 25.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 114 Ų | 114 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | 66.3 | 161.7 | 169.1 | -59.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 639 | S | 26 | Very low | 28.6 | Very low | 55 Ų | 55 | 113.9 Ų | 113.9 | 39% | 0.385 | 68% | 0.684 | S | S | . | * | cis | -169.7 | 141.1 | -32.8 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 640 | S | 28.3 | Very low | 28.5 | Very low | 88 Ų | 88 | 114.3 Ų | 114.3 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | trans | 63.2 | 130.3 | 149.4 | -52.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 641 | S | 28 | Very low | 28.6 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | 67.3 | 160.2 | 147.3 | 37.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 642 | Q | 29.3 | Very low | 28.2 | Very low | 156 Ų | 156 | 117 Ų | 117 | 73% | 0.729 | 68% | 0.684 | S | S | * | * | cis | -148.8 | 167.5 | 11.4 | -142.4 | -179.9 | -85.8 | 0 | 0 | 113 | D644 | Q642-D644 WeakPolarHBondContact O-CA 3.35Š| ||
| 643 | L | 35.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 117 Ų | 117 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -79 | 106.9 | 141.8 | -177.3 | 171.8 | 0 | 0 | 0 | 106.2 | ||
| 644 | D | 22.3 | Very low | 28.5 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | S | Bend | cis | -136.5 | 173.7 | -4.5 | -70.5 | -53.1 | 0 | 0 | 0 | 108.8 | Q642 | Q642-D644 WeakPolarHBondContact O-CA 3.35Š|
| 645 | L | 26.3 | Very low | 28.2 | Very low | 144 Ų | 144 | 118.7 Ų | 118.7 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | trans | 68.2 | 134.9 | 159.4 | -93.6 | 65.5 | 0 | 0 | 0 | 118.7 | ||||
| 646 | L | 30.9 | Very low | 28.4 | Very low | 140 Ų | 140 | 110 Ų | 110 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | trans | 68.3 | -178.1 | 138.8 | -64.4 | 178.3 | 0 | 0 | 0 | 119 | ||||
| 647 | D | 27.5 | Very low | 28.4 | Very low | 81 Ų | 81 | 109.6 Ų | 109.6 | 43% | 0.433 | 67% | 0.667 | S | S | . | * | -168.3 | 39.3 | -53.9 | -133.3 | 53.4 | 0 | 0 | 0 | 117.8 | L663 S664 S665 | D647-L663 CarbonylContact C-O 2.83Å; D647-L663 WeakPolarHBondContact CA-O 3.34Å; D647-S664 VanDerWaalsContact CG-CB 3.43Å; D647-S664 WeakPolarHBondContact O-CB 3.33Å; D647-S664 VanDerWaalsContact OD1-CA 3.23Å; D647-S664 WeakPolarHBondContact OD1-CA 3.15Å; D647-S665 VanDerWaalsContact CG-N 3.33Å; D647-S665 PolarHBondContact OD1-N 2.72Å; D647-S665 WeakPolarHBondContact OD2-CB 3.33Å; D647-S665 PolarHBondContact OD2-N 3.19Å | |||
| 648 | P | 36.1 | Very low | 28.4 | Very low | 77 Ų | 77 | 112.5 Ų | 112.5 | 50% | 0.5 | 67% | 0.669 | S | S | . | * | trans | -94 | 110.3 | 161.3 | -17.6 | 32.5 | 0 | 0 | 0 | 120.1 | I662 L663 | P648-I662 VanDerWaalsContact CD-O 3.32Å; P648-I662 WeakPolarHBondContact CD-O 3.38Å; P648-I662 CarbonylContact O-C 3.52Å; P648-L663 CarbonylContact C-O 3.48Å; P648-L663 WeakPolarHBondContact CD-O 3.16Å; P648-L663 CarbonylContact O-C 3.55Å; P648-L663 VanDerWaalsContact O-CA 3.26Å; P648-L663 WeakPolarHBondContact O-CA 3.35Å; P648-L663 PolarHBondContact O-N 3.37Å | ||
| 649 | V | 28.8 | Very low | 28.5 | Very low | 88 Ų | 88 | 114.1 Ų | 114.1 | 53% | 0.533 | 67% | 0.665 | S | S | . | * | trans | -83.8 | 156.1 | 157.6 | 151.6 | 0 | 0 | 0 | 0 | 110.5 | S664 | V649-S664 WeakPolarHBondContact CB-OG 3.38Å; V649-S664 WeakPolarHBondContact CG2-OG 3.38Å; V649-S664 PolarHBondContact N-OG 3.09Å | ||
| 650 | S | 26.9 | Very low | 28.4 | Very low | 99 Ų | 99 | 117 Ų | 117 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | -32.2 | 176.5 | 167 | -43.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 651 | T | 32 | Very low | 28.2 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | trans | 95.6 | 106.9 | 153.5 | 53.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 652 | D | 27.4 | Very low | 28 | Very low | 139 Ų | 139 | 116 Ų | 116 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | 71.7 | 110.5 | 120.4 | -51.3 | -11.1 | 0 | 0 | 0 | 121.7 | |||||
| 653 | L | 27.8 | Very low | 27.9 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | -176.4 | 139.9 | 91.5 | -96 | 164.5 | 0 | 0 | 0 | 114.5 | |||||
| 654 | T | 26.7 | Very low | 27.6 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 72% | 0.718 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 9.3 | 119.5 | 161.1 | 54.8 | 0 | 0 | 0 | 0 | 119.7 | G656 | T654-G656 PolarHBondContact O-N 3.3Å; T654-G656 VanDerWaalsContact O-N 3.16Å |
| 655 | S | 27.5 | Very low | 28 | Very low | 137 Ų | 137 | 107.9 Ų | 107.9 | 96% | 0.958 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 54.1 | 31.6 | 168.6 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 656 | G | 28.4 | Very low | 28.1 | Very low | 48 Ų | 48 | 106 Ų | 106 | 50% | 0.495 | 63% | 0.632 | S | S | . | * | trans | -137.5 | 137.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T654 | T654-G656 PolarHBondContact O-N 3.3Å; T654-G656 VanDerWaalsContact O-N 3.16Å | ||
| 657 | S | 27.1 | Very low | 27.9 | Very low | 105 Ų | 105 | 106.6 Ų | 106.6 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | trans | 52 | 126.1 | 153.5 | 51.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 658 | H | 28.6 | Very low | 27.7 | Very low | 162 Ų | 162 | 107.4 Ų | 107.4 | 75% | 0.75 | 65% | 0.648 | S | S | * | * | 48.6 | 120.6 | 125.7 | -60.9 | -79.4 | 0 | 0 | 0 | 120.1 | |||||
| 659 | Q | 26.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 108.5 Ų | 108.5 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | 88.5 | 124.8 | 74.4 | -160.8 | -179.9 | -7.5 | 0 | 0 | 114.1 | |||||
| 660 | T | 24.8 | Very low | 27 | Very low | 114 Ų | 114 | 109.3 Ų | 109.3 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | trans | 57.8 | 124.5 | 153.4 | 50.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 661 | T | 23 | Very low | 27.1 | Very low | 100 Ų | 100 | 110.2 Ų | 110.2 | 61% | 0.613 | 67% | 0.671 | S | S | * | * | 76.2 | 113.3 | 122.2 | -52.4 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 662 | I | 24.9 | Very low | 27 | Very low | 71 Ų | 71 | 110.4 Ų | 110.4 | 36% | 0.364 | 67% | 0.672 | S | S | . | * | trans | 52.8 | 119.1 | 137.5 | -57 | 171.6 | 0 | 0 | 0 | 123.6 | P648 | P648-I662 VanDerWaalsContact CD-O 3.32Å; P648-I662 WeakPolarHBondContact CD-O 3.38Å; P648-I662 CarbonylContact O-C 3.52Å | ||
| 663 | L | 26.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | trans | 43.6 | 137.4 | 150 | -72.7 | 170.8 | 0 | 0 | 0 | 125.3 | D647 P648 | D647-L663 CarbonylContact C-O 2.83Å; D647-L663 WeakPolarHBondContact CA-O 3.34Å; P648-L663 CarbonylContact C-O 3.48Å; P648-L663 WeakPolarHBondContact CD-O 3.16Å; P648-L663 CarbonylContact O-C 3.55Å; P648-L663 VanDerWaalsContact O-CA 3.26Å; P648-L663 WeakPolarHBondContact O-CA 3.35Å; P648-L663 PolarHBondContact O-N 3.37Å | ||
| 664 | S | 29.1 | Very low | 27.1 | Very low | 34 Ų | 34 | 114 Ų | 114 | 24% | 0.238 | 68% | 0.681 | C | S | . | * | trans | -156.5 | 169.1 | 169.8 | 81.2 | 0 | 0 | 0 | 0 | 119.8 | D647 V649 | D647-S664 VanDerWaalsContact CG-CB 3.43Å; D647-S664 WeakPolarHBondContact O-CB 3.33Å; D647-S664 VanDerWaalsContact OD1-CA 3.23Å; D647-S664 WeakPolarHBondContact OD1-CA 3.15Å; V649-S664 WeakPolarHBondContact CB-OG 3.38Å; V649-S664 WeakPolarHBondContact CG2-OG 3.38Å; V649-S664 PolarHBondContact N-OG 3.09Å | ||
| 665 | S | 31.9 | Very low | 27.3 | Very low | 78 Ų | 78 | 110.6 Ų | 110.6 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | trans | 58.1 | 90.9 | 138.2 | 73.8 | 0 | 0 | 0 | 0 | 120.1 | D647 | D647-S665 VanDerWaalsContact CG-N 3.33Å; D647-S665 PolarHBondContact OD1-N 2.72Å; D647-S665 WeakPolarHBondContact OD2-CB 3.33Å; D647-S665 PolarHBondContact OD2-N 3.19Å | ||
| 666 | S | 27.9 | Very low | 27.2 | Very low | 104 Ų | 104 | 108.9 Ų | 108.9 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | -89.9 | -179.2 | 159.7 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 667 | D | 26 | Very low | 27.1 | Very low | 154 Ų | 154 | 112 Ų | 112 | 82% | 0.824 | 67% | 0.666 | S | S | * | * | trans | 67 | 137.2 | 171.6 | -64 | -22.2 | 0 | 0 | 0 | 118.2 | ||||
| 668 | S | 24.9 | Very low | 27.1 | Very low | 98 Ų | 98 | 110.5 Ų | 110.5 | 69% | 0.685 | 65% | 0.653 | S | S | * | * | cis | -168.5 | -175.9 | -13.8 | 58.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 669 | S | 27 | Very low | 27.2 | Very low | 100 Ų | 100 | 106.1 Ų | 106.1 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | trans | 60.6 | 90.8 | 168.3 | 60.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 670 | S | 22.8 | Very low | 27.3 | Very low | 105 Ų | 105 | 101.3 Ų | 101.3 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | 37.6 | 135.5 | 116.4 | 66.4 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 671 | P | 29.1 | Very low | 27.5 | Very low | 117 Ų | 117 | 100.3 Ų | 100.3 | 76% | 0.76 | 62% | 0.621 | S | S | * | * | -122.8 | 152.7 | 86.1 | 37.1 | -35.6 | 0 | 0 | 0 | 114.9 | |||||
| 672 | T | 30.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 100.6 Ų | 100.6 | 71% | 0.712 | 63% | 0.628 | S | S | * | * | trans | 25.1 | 114.5 | 150 | 58.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 673 | S | 24.9 | Very low | 28.4 | Very low | 104 Ų | 104 | 102 Ų | 102 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | 65.1 | 90.1 | 62.8 | 83.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 674 | R | 31.1 | Very low | 28.7 | Very low | 253 Ų | 253 | 101 Ų | 101 | 96% | 0.955 | 65% | 0.647 | S | S | * | * | trans | -172.2 | 127.9 | 146.6 | -97.3 | 154.5 | -175.6 | -168 | -1.5 | 104.1 | ||||
| 675 | G | 31.5 | Very low | 28.8 | Very low | 45 Ų | 45 | 104.9 Ų | 104.9 | 46% | 0.464 | 67% | 0.67 | S | S | . | * | cis | 108 | 109.2 | 24.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | V695 | G675-V695 VanDerWaalsContact O-CG1 3.28Å; G675-V695 WeakPolarHBondContact O-CG1 3.24Å | ||
| 676 | S | 24.9 | Very low | 28.7 | Very low | 101 Ų | 101 | 106 Ų | 106 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | 93.9 | 91.3 | 51.4 | 72 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 677 | V | 26 | Very low | 28.8 | Very low | 113 Ų | 113 | 105.6 Ų | 105.6 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | trans | 71.5 | 142.3 | 165.9 | -149.4 | 0 | 0 | 0 | 0 | 119.2 | V695 | V677-V695 VanDerWaalsContact O-CG1 3.24Å; V677-V695 WeakPolarHBondContact O-CG1 3.46Å | ||
| 678 | T | 26.9 | Very low | 28.8 | Very low | 73 Ų | 73 | 102.8 Ų | 102.8 | 45% | 0.448 | 67% | 0.667 | S | S | . | * | trans | 92.4 | -169.2 | 167.9 | 76.7 | 0 | 0 | 0 | 0 | 119.1 | G696 D697 | T678-G696 VanDerWaalsContact C-N 3.27Å; T678-G696 PolarHBondContact O-N 3.04Å; T678-D697 WeakPolarHBondContact CB-OD1 3.3Å; T678-D697 PolarHBondContact OG1-OD1 2.87Å; T678-D697 PolarHBondContact OG1-OD2 2.74Å | ||
| 679 | S | 30.4 | Very low | 28.8 | Very low | 70 Ų | 70 | 104.1 Ų | 104.1 | 49% | 0.49 | 67% | 0.671 | S | S | . | * | trans | 76.8 | 144.4 | -155.8 | 27.9 | 0 | 0 | 0 | 0 | 120.5 | G696 D697 | S679-G696 VanDerWaalsContact CB-O 3.22Å; S679-G696 WeakPolarHBondContact CB-O 3.15Å; S679-G696 WeakPolarHBondContact OG-CA 3.24Å; S679-G696 PolarHBondContact OG-N 2.82Å; S679-G696 PolarHBondContact OG-O 3.03Å; S679-D697 VanDerWaalsContact N-CA 3.35Å | ||
| 680 | S | 28.7 | Very low | 28.6 | Very low | 53 Ų | 53 | 105.1 Ų | 105.1 | 37% | 0.371 | 68% | 0.677 | S | S | . | * | trans | -107 | -179 | -174.2 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | D698 D699 | S680-D698 WeakPolarHBondContact CB-O 3.42Å; S680-D698 PolarHBondContact OG-O 2.78Å; S680-D699 WeakPolarHBondContact CB-O 3.5Å | ||
| 681 | S | 29.5 | Very low | 28.8 | Very low | 92 Ų | 92 | 105 Ų | 105 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | trans | 44.9 | 97.7 | 155.8 | 66 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 682 | S | 28.5 | Very low | 28.6 | Very low | 107 Ų | 107 | 109 Ų | 109 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | 55 | 145.4 | 115.6 | 72.2 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 683 | S | 38.5 | Very low | 28.5 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | cis | 178 | 165.1 | 14.8 | 26.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 684 | S | 33.7 | Very low | 28.6 | Very low | 103 Ų | 103 | 107 Ų | 107 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | cis | -166.2 | 156.6 | -24.5 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 685 | T | 29.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 97.9 Ų | 97.9 | 71% | 0.712 | 67% | 0.666 | S | S | * | * | -168.8 | 124.1 | -56.2 | 18.2 | 0 | 0 | 0 | 0 | 104.2 | |||||
| 686 | S | 31.6 | Very low | 28.6 | Very low | 101 Ų | 101 | 97.7 Ų | 97.7 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | cis | 67.4 | 142.5 | 31.9 | 112.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 687 | S | 29.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 97.5 Ų | 97.5 | 67% | 0.671 | 66% | 0.655 | S | S | * | * | cis | -170.1 | 171.1 | -8.4 | 34.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 688 | S | 25.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 97.9 Ų | 97.9 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | trans | 12.4 | 139.8 | 145.2 | 65.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 689 | V | 25.3 | Very low | 29.3 | Very low | 127 Ų | 127 | 100.7 Ų | 100.7 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 58.1 | 122.3 | 130.4 | 178.5 | 0 | 0 | 0 | 0 | 118.6 | ||
| 690 | S | 23.6 | Very low | 29.1 | Very low | 120 Ų | 120 | 104.4 Ų | 104.4 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | trans | 27.8 | 97.1 | 150 | -50 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 691 | A | 25.8 | Very low | 28.9 | Very low | 102 Ų | 102 | 109 Ų | 109 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | trans | -92.3 | 145.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 692 | E | 25 | Very low | 28.9 | Very low | 201 Ų | 201 | 112.2 Ų | 112.2 | 94% | 0.939 | 70% | 0.704 | S | S | * | * | trans | -151.7 | -171.7 | 154.4 | -114.7 | -179.5 | 163.3 | 0 | 0 | 109 | ||||
| 693 | A | 28 | Very low | 29.2 | Very low | 94 Ų | 94 | 113.6 Ų | 113.6 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | -149.7 | 165.1 | -118.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 694 | A | 28.2 | Very low | 29 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | cis | -179.8 | -155.8 | -22.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 695 | V | 30.7 | Very low | 28.9 | Very low | 61 Ų | 61 | 118.5 Ų | 118.5 | 37% | 0.37 | 71% | 0.713 | S | S | . | * | trans | 86.1 | 123.1 | 148 | 163.1 | 0 | 0 | 0 | 0 | 121.7 | G675 V677 | G675-V695 VanDerWaalsContact O-CG1 3.28Å; G675-V695 WeakPolarHBondContact O-CG1 3.24Å; V677-V695 VanDerWaalsContact O-CG1 3.24Å; V677-V695 WeakPolarHBondContact O-CG1 3.46Å | ||
| 696 | G | 31 | Very low | 28.7 | Very low | 41 Ų | 41 | 117.4 Ų | 117.4 | 42% | 0.423 | 72% | 0.716 | S | S | . | * | trans | 96.8 | 130.1 | 160 | 0 | 0 | 0 | 0 | 0 | 117.2 | T678 S679 | T678-G696 VanDerWaalsContact C-N 3.27Å; T678-G696 PolarHBondContact O-N 3.04Å; S679-G696 VanDerWaalsContact CB-O 3.22Å; S679-G696 WeakPolarHBondContact CB-O 3.15Å; S679-G696 WeakPolarHBondContact OG-CA 3.24Å; S679-G696 PolarHBondContact OG-N 2.82Å; S679-G696 PolarHBondContact OG-O 3.03Å | ||
| 697 | D | 29.4 | Very low | 28.5 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 52% | 0.519 | 72% | 0.72 | S | S | . | * | cis | -147.3 | 172.7 | -7.8 | -131.7 | -33.2 | 0 | 0 | 0 | 113.4 | T678 S679 | T678-D697 WeakPolarHBondContact CB-OD1 3.3Å; T678-D697 PolarHBondContact OG1-OD1 2.87Å; T678-D697 PolarHBondContact OG1-OD2 2.74Å; S679-D697 VanDerWaalsContact N-CA 3.35Å | ||
| 698 | D | 32.6 | Very low | 28.5 | Very low | 120 Ų | 120 | 121 Ų | 121 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | trans | 58.5 | 132.2 | 158.7 | -66.2 | -41.3 | 0 | 0 | 0 | 127.7 | S680 | S680-D698 WeakPolarHBondContact CB-O 3.42Å; S680-D698 PolarHBondContact OG-O 2.78Å | ||
| 699 | D | 29.7 | Very low | 28.4 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 73.3 | 173.4 | 138.4 | -100.7 | -20.4 | 0 | 0 | 0 | 128.1 | S680 | S680-D699 WeakPolarHBondContact CB-O 3.5Š| ||
| 700 | L | 26.6 | Very low | 28.6 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | -113 | 172.5 | -146.5 | -74 | 160.7 | 0 | 0 | 0 | 118 | ||||
| 701 | N | 26 | Very low | 28.7 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | 94.9 | 147.9 | 148.3 | -86.2 | 10.8 | 0 | 0 | 0 | 122.6 | ||||
| 702 | E | 29.3 | Very low | 28.9 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | -101 | 179.7 | -162.2 | -51.5 | 170.3 | 135.5 | 0 | 0 | 114.4 | ||||
| 703 | N | 33.3 | Very low | 29.1 | Very low | 135 Ų | 135 | 116 Ų | 116 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | trans | 82.6 | 117.8 | 154.5 | -58.7 | -55 | 0 | 0 | 0 | 118.9 | ||||
| 704 | D | 35.6 | Very low | 29.3 | Very low | 153 Ų | 153 | 118.5 Ų | 118.5 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -152.7 | 147.3 | 132.6 | -99.3 | -29.3 | 0 | 0 | 0 | 109.2 | ||||
| 705 | D | 31.9 | Very low | 29.4 | Very low | 154 Ų | 154 | 119.4 Ų | 119.4 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | trans | 29.6 | 89.2 | 162.5 | -64.7 | -21.1 | 0 | 0 | 0 | 118.2 | ||||
| 706 | A | 25 | Very low | 29.3 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | cis | 77 | 163.8 | 32.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 707 | N | 25.6 | Very low | 29.3 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | trans | 79.4 | 157.7 | 170.5 | -130 | -14.4 | 0 | 0 | 0 | 118.6 | ||||
| 708 | I | 30.5 | Very low | 29.3 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 65% | 0.646 | 71% | 0.709 | S | S | * | * | trans | 68 | 93.9 | 152.3 | -70.2 | 165 | 0 | 0 | 0 | 119.1 | ||||
| 709 | L | 24.4 | Very low | 29.1 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | 67 | 140.9 | 114.6 | -91.4 | 58.6 | 0 | 0 | 0 | 122.3 | |||||
| 710 | I | 27.4 | Very low | 29.1 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | 62.8 | 98.4 | 139.9 | -63.7 | 172.4 | 0 | 0 | 0 | 115.8 | A712 | I710-A712 HydrophobicContact CG2-CB 4.44Š| ||
| 711 | S | 26.6 | Very low | 29.2 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | cis | 69.6 | 178.7 | 49.2 | 98.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 712 | A | 29.1 | Very low | 29.2 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | trans | 72.7 | 107.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | I710 | I710-A712 HydrophobicContact CG2-CB 4.44Š| ||
| 713 | A | 30.6 | Very low | 29.1 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 69% | 0.694 | 70% | 0.698 | S | S | * | * | 92.1 | 128.7 | 122.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 714 | N | 31.4 | Very low | 28.8 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | cis | -155.4 | 144.8 | -2.2 | -116.3 | -3 | 0 | 0 | 0 | 114.9 | ||||
| 715 | V | 31.1 | Very low | 28.3 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | trans | 72.7 | 82.4 | 142.9 | -178.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 716 | E | 27.2 | Very low | 28 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 62% | 0.621 | 64% | 0.641 | S | S | * | * | 66.9 | 151.1 | 107.8 | -67.4 | 179.5 | 158.8 | 0 | 0 | 121.7 | |||||
| 717 | H | 31.8 | Very low | 27.9 | Very low | 109 Ų | 109 | 114.6 Ų | 114.6 | 51% | 0.505 | 64% | 0.641 | S | S | . | * | cis | -157.8 | 152.2 | 4.2 | -127.2 | -0.9 | 0 | 0 | 0 | 113.3 | V2123 | H717-V2123 WeakPolarHBondContact O-CG1 3.43Å; H717-V2123 WeakPolarHBondContact O-CG2 3.36Å | ||
| 718 | K | 29.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 111.8 Ų | 111.8 | 60% | 0.604 | 64% | 0.638 | S | S | * | * | trans | 45.6 | 122.8 | 143 | -70.8 | 164.6 | -177.4 | 157.2 | 0 | 120 | V2123 | K718-V2123 WeakPolarHBondContact O-CG2 3.5Š| ||
| 719 | S | 28.4 | Very low | 27.4 | Very low | 86 Ų | 86 | 114.2 Ų | 114.2 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | cis | 67.5 | 132.1 | 10 | 124.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 720 | D | 29.1 | Very low | 27.2 | Very low | 139 Ų | 139 | 115.4 Ų | 115.4 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | cis | -147.5 | -156.9 | -2.2 | -73 | -56.6 | 0 | 0 | 0 | 109.1 | ||||
| 721 | F | 29.2 | Very low | 26.9 | Very low | 188 Ų | 188 | 114 Ų | 114 | 83% | 0.825 | 65% | 0.646 | S | S | * | * | cis | -163.3 | -174.8 | 6.9 | -159.4 | -138.5 | 0 | 0 | 0 | 111.7 | ||||
| 722 | L | 25.5 | Very low | 26.6 | Very low | 155 Ų | 155 | 117.3 Ų | 117.3 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | trans | -123.5 | 144.8 | 164.8 | -80.7 | 163 | 0 | 0 | 0 | 108.8 | ||||
| 723 | G | 27.1 | Very low | 26.3 | Very low | 45 Ų | 45 | 119.6 Ų | 119.6 | 46% | 0.464 | 65% | 0.647 | S | S | . | * | trans | -136.3 | 154.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114.3 | L389 | L389-G723 WeakPolarHBondContact CD2-O 3.07Å; L389-G723 VanDerWaalsContact CG-O 3.22Å; L389-G723 WeakPolarHBondContact CG-O 3.48Å | ||
| 724 | V | 26.8 | Very low | 25.9 | Very low | 80 Ų | 80 | 120.2 Ų | 120.2 | 49% | 0.485 | 64% | 0.638 | S | S | . | * | trans | -150.6 | 152.1 | -144.6 | -134.1 | 0 | 0 | 0 | 0 | 113.4 | L389 V390 R391 | L389-V724 WeakPolarHBondContact O-CA 3.2Å; L389-V724 WeakPolarHBondContact O-CG1 3.43Å; V390-V724 VanDerWaalsContact C-CG1 3.44Å; V390-V724 WeakPolarHBondContact O-CG1 3.2Å; R391-V724 VanDerWaalsContact C-CB 3.43Å; R391-V724 VanDerWaalsContact C-CG1 3.45Å; R391-V724 VanDerWaalsContact O-CB 3.29Å; R391-V724 WeakPolarHBondContact O-CB 3.4Å; R391-V724 VanDerWaalsContact O-CG1 3.23Å; R391-V724 WeakPolarHBondContact O-CG1 3.39Å | ||
| 725 | D | 26.1 | Very low | 25.6 | Very low | 55 Ų | 55 | 117.9 Ų | 117.9 | 29% | 0.294 | 62% | 0.623 | S | S | . | * | trans | -157.1 | -121.3 | -151.3 | 176.5 | 103.9 | 0 | 0 | 0 | 115.7 | T388 L389 R391 | T388-D725 VanDerWaalsContact C-OD2 3.32Å; T388-D725 WeakPolarHBondContact CA-OD2 3.18Å; L389-D725 HydrophobicContact CB-CB 3.49Å; L389-D725 VanDerWaalsContact CB-CB 3.49Å; L389-D725 PolarHBondContact N-OD2 3.48Å; L389-D725 PolarHBondContact O-N 3.14Å; R391-D725 WeakPolarHBondContact CA-O 3.16Å; R391-D725 VanDerWaalsContact N-C 3.29Å; R391-D725 PolarHBondContact N-O 2.98Å | ||
| 726 | D | 25.9 | Very low | 25.2 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 40% | 0.396 | 62% | 0.619 | S | S | . | * | trans | 78.6 | 132.4 | -177 | -105.7 | -7.8 | 0 | 0 | 0 | 119.8 | ||||
| 727 | D | 23.4 | Very low | 25.2 | Very low | 140 Ų | 140 | 117.5 Ų | 117.5 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | 168.6 | 179.1 | 125.1 | -95.3 | -36.1 | 0 | 0 | 0 | 115.2 | |||||
| 728 | A | 22.2 | Very low | 25 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | trans | -94.2 | -174.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 729 | E | 22 | Very low | 24.9 | Very low | 176 Ų | 176 | 118.3 Ų | 118.3 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | cis | -159.2 | -178.6 | 3.9 | -148 | 169.4 | -159.1 | 0 | 0 | 110.5 | ||||
| 730 | E | 20.8 | Very low | 24.8 | Very low | 164 Ų | 164 | 122.3 Ų | 122.3 | 77% | 0.766 | 64% | 0.636 | S | S | * | * | trans | 52.2 | 127.5 | 148.3 | -73.6 | -114 | 111.7 | 0 | 0 | 124.2 | ||||
| 731 | V | 21 | Very low | 24.9 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 61% | 0.606 | 63% | 0.626 | S | S | * | * | 95.9 | 101.1 | 127.1 | 171.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 732 | F | 21.2 | Very low | 24.8 | Very low | 177 Ų | 177 | 114 Ų | 114 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | trans | 62.8 | 119 | 131.6 | -79.2 | -124.6 | 0 | 0 | 0 | 124.2 | ||||
| 733 | L | 21.5 | Very low | 25 | Very low | 128 Ų | 128 | 111.1 Ų | 111.1 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | trans | 73.4 | 138.5 | 133.8 | -62.2 | -178.1 | 0 | 0 | 0 | 122.4 | ||||
| 734 | N | 22.8 | Very low | 25.1 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | trans | 40.6 | 141.6 | 133.8 | -52.3 | -2.2 | 0 | 0 | 0 | 119.9 | ||||
| 735 | E | 24.7 | Very low | 25.3 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 45% | 0.453 | 59% | 0.586 | S | S | . | * | cis | -142.9 | 157.7 | 38.2 | -71.2 | 179.7 | 142.3 | 0 | 0 | 113.5 | P365 K737 | P365-E735 VanDerWaalsContact CA-OE1 3.28Å; P365-E735 WeakPolarHBondContact CA-OE1 3.28Å; E735-K737 PolarHBondContact O-N 3.38Å; E735-K737 IonicContact OE2-NZ 2.71Å; E735-K737 PolarHBondContact OE2-NZ 3.05Å | ||
| 736 | D | 22.9 | Very low | 25.6 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 57% | 0.567 | 59% | 0.59 | S | S | * | * | trans | -89.6 | 99.1 | 171.4 | -140.5 | 37.9 | 0 | 0 | 0 | 108.9 | Y367 | Y367-D736 HydrophobicContact CD2-CB 4Å; Y367-D736 HydrophobicContact CE2-CB 3.69Å | ||
| 737 | K | 28.3 | Very low | 26 | Very low | 125 Ų | 125 | 115.2 Ų | 115.2 | 54% | 0.543 | 59% | 0.593 | S | S | . | * | trans | -122.9 | 104.8 | 171.7 | -76.2 | -161.9 | 176.2 | 95.1 | 0 | 111.7 | R364 E735 | R364-K737 WeakPolarHBondContact O-CE 3.32Å; R364-K737 PolarHBondContact O-NZ 2.9Å; E735-K737 PolarHBondContact O-N 3.38Å; E735-K737 IonicContact OE2-NZ 2.71Å; E735-K737 PolarHBondContact OE2-NZ 3.05Å | ||
| 738 | D | 26.2 | Very low | 26.3 | Very low | 113 Ų | 113 | 115.5 Ų | 115.5 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | trans | -64.9 | 132.6 | 157.4 | -67.9 | -63.6 | 0 | 0 | 0 | 109.5 | K817 | D738-K817 IonicContact OD2-NZ 3.16Å; D738-K817 PolarHBondContact OD2-NZ 2.56Å | ||
| 739 | L | 27.4 | Very low | 26.6 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | -167.1 | 120.3 | 126.4 | -105.6 | 160.7 | 0 | 0 | 0 | 111.7 | |||||
| 740 | K | 27.1 | Very low | 27.1 | Very low | 170 Ų | 170 | 115.5 Ų | 115.5 | 74% | 0.739 | 58% | 0.578 | S | S | * | * | trans | -80.6 | 152.5 | 164.3 | -85.3 | -171.3 | 177.4 | -168.2 | 0 | 109.8 | ||||
| 741 | S | 30.4 | Very low | 27.6 | Very low | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 57% | 0.574 | S | S | . | * | cis | -155.3 | -104.2 | -18.2 | 19.8 | 0 | 0 | 0 | 0 | 109.8 | E787 | S741-E787 WeakPolarHBondContact CA-OE2 3.05Å; S741-E787 WeakPolarHBondContact CB-OE1 3.5Å; S741-E787 VanDerWaalsContact CB-OE2 3.27Å; S741-E787 WeakPolarHBondContact CB-OE2 3.44Å; S741-E787 PolarHBondContact N-OE2 2.96Å; S741-E787 PolarHBondContact OG-OE1 3.28Å; S741-E787 PolarHBondContact OG-OE2 3.41Å | ||
| 742 | V | 27.8 | Very low | 28 | Very low | 76 Ų | 76 | 115.9 Ų | 115.9 | 46% | 0.461 | 58% | 0.581 | S | S | . | * | trans | 91.2 | 116.7 | 167.4 | -170.7 | 0 | 0 | 0 | 0 | 118.4 | E787 A788 | V742-E787 WeakPolarHBondContact CA-OE1 3.13Å; V742-E787 HydrophobicContact CG2-CB 4.43Å; V742-E787 WeakPolarHBondContact CG2-OE2 3.07Å; V742-E787 PolarHBondContact N-OE1 3.46Å; V742-E787 PolarHBondContact N-OE2 3.16Å; V742-A788 HydrophobicContact CG2-CB 3.25Å | ||
| 743 | D | 28.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 113.1 Ų | 113.1 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | trans | 106.1 | 75.8 | 151.9 | -72.3 | 20.2 | 0 | 0 | 0 | 125.5 | V786 | D743-V786 WeakPolarHBondContact OD1-CG1 3.38Š| ||
| 744 | K | 30.3 | Very low | 28.9 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 35% | 0.352 | 57% | 0.573 | S | S | . | * | 77.3 | 102.8 | 118.2 | -66.1 | 141.4 | -169.3 | 167.1 | 0 | 125.8 | V785 V786 | K744-V785 HydrophobicContact CD-CB 4.14Å; K744-V785 HydrophobicContact CD-CG1 4.1Å; K744-V785 HydrophobicContact CD-CG2 3.72Å; K744-V785 VanDerWaalsContact CE-O 3.23Å; K744-V785 WeakPolarHBondContact CE-O 3.43Å; K744-V785 HydrophobicContact CG-CB 4.41Å; K744-V785 HydrophobicContact CG-CG2 3.86Å; K744-V786 HydrophobicContact CD-CB 4.28Å; K744-V786 HydrophobicContact CD-CG1 4.21Å; K744-V786 VanDerWaalsContact CE-CB 3.48Å; K744-V786 HydrophobicContact CG-CB 3.84Å; K744-V786 HydrophobicContact CG-CG1 3.98Å; K744-V786 PolarHBondContact NZ-O 3.49Å | |||
| 745 | Q | 31 | Very low | 29.4 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 42% | 0.416 | 58% | 0.581 | S | S | . | * | 61.1 | 139.8 | 109 | -73.1 | 169.9 | -66.9 | 0 | 0 | 126.8 | H784 | Q745-H784 WeakPolarHBondContact CB-ND1 3.42Å; Q745-H784 PolarHBondContact O-CE1 3.35Å | |||
| 746 | Q | 33 | Very low | 29.7 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 38% | 0.383 | 59% | 0.586 | S | S | . | * | trans | 64.5 | 154.7 | 137.4 | -77.1 | 156.9 | -47.3 | 0 | 0 | 120.4 | E782 | Q746-E782 PolarHBondContact NE2-OE1 2.98Š| ||
| 747 | D | 32.4 | Very low | 30.1 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | cis | -146.3 | -179.2 | 16.6 | -136.1 | -50.4 | 0 | 0 | 0 | 114.5 | K749 | D747-K749 IonicContact OD1-NZ 3.99Å; D747-K749 PolarHBondContact OD1-NZ 3.47Å | ||
| 748 | E | 30.6 | Very low | 30 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | trans | -119.6 | -154.4 | -155.2 | -34.2 | 172.7 | 110.6 | 0 | 0 | 119.6 | ||||
| 749 | K | 28.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | trans | 97.3 | 147.7 | 156.3 | -56.9 | 112 | 178.1 | 95.2 | 0 | 115.4 | D747 E782 | D747-K749 IonicContact OD1-NZ 3.99Å; D747-K749 PolarHBondContact OD1-NZ 3.47Å; K749-E782 IonicContact NZ-OE2 2.87Å; K749-E782 PolarHBondContact NZ-OE2 3.2Å | ||
| 750 | D | 31.2 | Very low | 30.2 | Very low | 141 Ų | 141 | 116.3 Ų | 116.3 | 75% | 0.754 | 57% | 0.57 | S | S | * | * | cis | -143.7 | -136.8 | 18.7 | -157.8 | -95.5 | 0 | 0 | 0 | 114.8 | ||||
| 751 | T | 31.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 111.6 Ų | 111.6 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | trans | -130.6 | -174.3 | -157.8 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 752 | E | 29.7 | Very low | 29.9 | Very low | 161 Ų | 161 | 116.2 Ų | 116.2 | 75% | 0.752 | 58% | 0.579 | S | S | * | * | cis | -169.5 | 179.7 | -10.2 | -124.2 | -166 | 72.1 | 0 | 0 | 106.3 | ||||
| 753 | N | 33.5 | Very low | 29.8 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | cis | -172.1 | -176.4 | -24 | -133.4 | -13.9 | 0 | 0 | 0 | 107.3 | ||||
| 754 | Y | 29.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 123 Ų | 123 | 65% | 0.647 | 61% | 0.612 | S | S | * | * | cis | -164 | -167 | -12.8 | -163.9 | -131.9 | 0 | 0 | 0 | 110.1 | H756 | Y754-H756 AromaticContact CE1-CD2 3.91Å; Y754-H756 AromaticContact CE1-CE1 3.69Å; Y754-H756 AromaticContact CE1-NE2 3.31Å; Y754-H756 VanDerWaalsContact CE1-NE2 3.31Å; Y754-H756 WeakPolarHBondContact CE1-NE2 3.47Å; Y754-H756 AromaticContact CZ-CE1 3.6Å; Y754-H756 AromaticContact CZ-NE2 3.72Å; Y754-H756 PolarHBondContact OH-CE1 2.78Å | ||
| 755 | N | 32.9 | Very low | 29.4 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | 67.7 | 133.6 | 170.8 | -70.7 | -8.8 | 0 | 0 | 0 | 119.6 | ||||
| 756 | H | 30.8 | Very low | 29 | Very low | 120 Ų | 120 | 128 Ų | 128 | 56% | 0.556 | 64% | 0.644 | S | S | * | * | cis | -170.2 | 170.2 | -27.9 | -116.2 | -35.7 | 0 | 0 | 0 | 109.7 | Y754 | Y754-H756 AromaticContact CE1-CD2 3.91Å; Y754-H756 AromaticContact CE1-CE1 3.69Å; Y754-H756 AromaticContact CE1-NE2 3.31Å; Y754-H756 VanDerWaalsContact CE1-NE2 3.31Å; Y754-H756 WeakPolarHBondContact CE1-NE2 3.47Å; Y754-H756 AromaticContact CZ-CE1 3.6Å; Y754-H756 AromaticContact CZ-NE2 3.72Å; Y754-H756 PolarHBondContact OH-CE1 2.78Å | ||
| 757 | Q | 30.5 | Very low | 28.5 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 66% | 0.659 | 66% | 0.659 | S | S | * | * | trans | 80.5 | 154.4 | 175.6 | -59.3 | -174.2 | -84.3 | 0 | 0 | 118.5 | P2173 | Q757-P2173 VanDerWaalsContact C-CD 3.46Š| ||
| 758 | E | 26.9 | Very low | 28.1 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 35% | 0.346 | 67% | 0.669 | S | S | . | * | cis | -165 | 159.6 | -17.7 | -91.8 | -176.9 | -164.7 | 0 | 0 | 108.9 | P2173 H2174 S2175 | E758-P2173 VanDerWaalsContact CA-CD 3.48Å; E758-H2174 VanDerWaalsContact CB-O 3.22Å; E758-H2174 WeakPolarHBondContact CB-O 3.48Å; E758-H2174 HydrophobicContact CG-CB 4.4Å; E758-H2174 WeakPolarHBondContact CG-O 3.33Å; E758-S2175 VanDerWaalsContact CD-OG 3.3Å; E758-S2175 WeakPolarHBondContact OE1-CB 3.31Å; E758-S2175 PolarHBondContact OE1-OG 2.95Å; E758-S2175 WeakPolarHBondContact OE2-CB 3.34Å; E758-S2175 PolarHBondContact OE2-N 3.41Å; E758-S2175 VanDerWaalsContact OE2-N 3.07Å; E758-S2175 PolarHBondContact OE2-OG 2.83Å | ||
| 759 | Y | 30.1 | Very low | 27.7 | Very low | 131 Ų | 131 | 133 Ų | 133 | 51% | 0.514 | 67% | 0.67 | S | S | . | * | cis | -150.2 | 148.4 | 9.8 | -175.5 | 24 | 0 | 0 | 0 | 112.5 | S2172 P2173 H2174 | Y759-S2172 VanDerWaalsContact C-OG 3.29Å; Y759-S2172 WeakPolarHBondContact O-CB 3.17Å; Y759-S2172 PolarHBondContact O-OG 2.89Å; Y759-P2173 VanDerWaalsContact CA-O 3.31Å; Y759-P2173 WeakPolarHBondContact CA-O 3.18Å; Y759-H2174 WeakPolarHBondContact CA-O 3.42Å; Y759-H2174 WeakPolarHBondContact CB-O 3.23Å; Y759-H2174 WeakPolarHBondContact CD1-O 3.29Å | ||
| 760 | L | 28.4 | Very low | 27.5 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | trans | -1.2 | 130.9 | 173.6 | -76.7 | 169.8 | 0 | 0 | 0 | 119.9 | P2173 | L760-P2173 PolarHBondContact N-O 2.92Å; L760-P2173 VanDerWaalsContact N-O 3.14Å | ||
| 761 | A | 27.6 | Very low | 27 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 58% | 0.579 | 66% | 0.66 | S | S | * | * | cis | 93.8 | 98.9 | 12 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 762 | I | 23.4 | Very low | 26.6 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 89% | 0.892 | 66% | 0.663 | S | S | * | * | trans | -140.3 | 95 | 140 | -58.6 | -176.3 | 0 | 0 | 0 | 109.1 | ||||
| 763 | T | 25.7 | Very low | 26.3 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | trans | -160.4 | 119.1 | 162.4 | 39.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 764 | E | 24 | Very low | 26 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | trans | -167.5 | 146 | 162.1 | -84.7 | -149.2 | 169.3 | 0 | 0 | 106 | ||||
| 765 | H | 25.8 | Very low | 25.8 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 78% | 0.782 | 68% | 0.682 | S | S | * | * | cis | 51.1 | 101.2 | 6.9 | -93.4 | -91.6 | 0 | 0 | 0 | 113.1 | ||||
| 766 | T | 22.2 | Very low | 25.4 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 64% | 0.644 | 69% | 0.69 | S | S | * | * | -163.6 | -175.2 | 70.1 | -64 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 767 | I | 24.4 | Very low | 25 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 70% | 0.697 | 70% | 0.702 | S | S | * | * | trans | -42.3 | 129.8 | 164.7 | -60.2 | 152.4 | 0 | 0 | 0 | 112.8 | Q769 | I767-Q769 HydrophobicContact CG2-CB 3.79Š| ||
| 768 | I | 23.2 | Very low | 25 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | trans | -139.3 | 124.5 | 147 | -66.3 | -175.1 | 0 | 0 | 0 | 103.2 | D770 | I768-D770 HydrophobicContact CG2-CB 4.15Š| ||
| 769 | Q | 22.4 | Very low | 25 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | cis | 38.3 | 72 | 7.4 | -163 | 165.7 | -10.6 | 0 | 0 | 115.3 | I767 S771 | I767-Q769 HydrophobicContact CG2-CB 3.79Å; Q769-S771 PolarHBondContact NE2-OG 2.81Å; Q769-S771 PolarHBondContact O-N 2.59Å | ||
| 770 | D | 23.6 | Very low | 24.9 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | trans | -65.6 | 89 | 143.2 | -81.6 | -34 | 0 | 0 | 0 | 106.4 | I768 | I768-D770 HydrophobicContact CG2-CB 4.15Š| ||
| 771 | S | 21.3 | Very low | 25 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 48% | 0.476 | 74% | 0.739 | S | S | . | * | trans | -60.6 | 150.6 | 147.1 | -74.8 | 0 | 0 | 0 | 0 | 108.5 | Q769 | Q769-S771 PolarHBondContact NE2-OG 2.81Å; Q769-S771 PolarHBondContact O-N 2.59Å | ||
| 772 | L | 22.9 | Very low | 24.8 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 18.4 | 112.2 | 144.7 | -67.8 | 158.2 | 0 | 0 | 0 | 117.4 | ||
| 773 | E | 24.3 | Very low | 25.2 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | 60.3 | 115.5 | 126.5 | -62.1 | 177.2 | 149.7 | 0 | 0 | 118.3 | R775 | E773-R775 PolarHBondContact O-N 2.81Š| |||
| 774 | A | 25.5 | Very low | 25.3 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -57.8 | 133.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 775 | R | 26.4 | Very low | 25.4 | Very low | 231 Ų | 231 | 129.3 Ų | 129.3 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | trans | 79 | 82.3 | 162.3 | -53.4 | 172.1 | -170.9 | -176.6 | 2.8 | 116.7 | E773 | E773-R775 PolarHBondContact O-N 2.81Š| ||
| 776 | F | 23.9 | Very low | 25.3 | Very low | 201 Ų | 201 | 124.4 Ų | 124.4 | 88% | 0.882 | 66% | 0.662 | S | S | * | * | 11.5 | 147.6 | 104.9 | -104.3 | -78.5 | 0 | 0 | 0 | 118.9 | |||||
| 777 | L | 23.4 | Very low | 25.3 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | trans | 86 | 132.7 | 169.9 | -60 | -178.9 | 0 | 0 | 0 | 115.7 | ||||
| 778 | P | 29.1 | Very low | 25.4 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | -139.8 | -171.9 | -93.1 | 36 | -16.5 | 0 | 0 | 0 | 113.6 | |||||
| 779 | I | 26.9 | Very low | 25.5 | Very low | 142 Ų | 142 | 120.6 Ų | 120.6 | 73% | 0.728 | 64% | 0.641 | S | S | * | * | 170.9 | 139.1 | 125.6 | -88.2 | 160.1 | 0 | 0 | 0 | 111.6 | |||||
| 780 | D | 28.7 | Very low | 25.7 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | trans | 61 | 111.9 | 161.6 | -62.8 | -9.2 | 0 | 0 | 0 | 124.3 | ||||
| 781 | S | 30.6 | Very low | 25.9 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | trans | 67.2 | 96.3 | 132.6 | 66.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 782 | E | 24.3 | Very low | 26.4 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 43% | 0.43 | 66% | 0.662 | S | S | . | * | -34.2 | 178.2 | 127.5 | -70.6 | 173.8 | 117.1 | 0 | 0 | 117.2 | Q746 K749 | Q746-E782 PolarHBondContact NE2-OE1 2.98Å; K749-E782 IonicContact NZ-OE2 2.87Å; K749-E782 PolarHBondContact NZ-OE2 3.2Å | |||
| 783 | P | 31.5 | Very low | 26.7 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | cis | -132.3 | -169.5 | -0.8 | 16.4 | 10.8 | 0 | 0 | 0 | 115.4 | ||||
| 784 | H | 26.7 | Very low | 26.8 | Very low | 101 Ų | 101 | 119 Ų | 119 | 47% | 0.468 | 65% | 0.653 | S | S | . | * | trans | 82.2 | 122.7 | 143.9 | -80.4 | -42.4 | 0 | 0 | 0 | 123.6 | Q745 | Q745-H784 WeakPolarHBondContact CB-ND1 3.42Å; Q745-H784 PolarHBondContact O-CE1 3.35Å | ||
| 785 | V | 25.6 | Very low | 27.3 | Very low | 84 Ų | 84 | 121 Ų | 121 | 51% | 0.509 | 65% | 0.645 | S | S | . | * | 117.9 | 37.8 | 124.8 | 170.6 | 0 | 0 | 0 | 0 | 123.4 | K744 | K744-V785 HydrophobicContact CD-CB 4.14Å; K744-V785 HydrophobicContact CD-CG1 4.1Å; K744-V785 HydrophobicContact CD-CG2 3.72Å; K744-V785 VanDerWaalsContact CE-O 3.23Å; K744-V785 WeakPolarHBondContact CE-O 3.43Å; K744-V785 HydrophobicContact CG-CB 4.41Å; K744-V785 HydrophobicContact CG-CG2 3.86Å | |||
| 786 | V | 25 | Very low | 27.7 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | trans | 41.1 | 122.6 | 133.9 | 141.9 | 0 | 0 | 0 | 0 | 124.6 | D743 K744 | D743-V786 WeakPolarHBondContact OD1-CG1 3.38Å; K744-V786 HydrophobicContact CD-CB 4.28Å; K744-V786 HydrophobicContact CD-CG1 4.21Å; K744-V786 VanDerWaalsContact CE-CB 3.48Å; K744-V786 HydrophobicContact CG-CB 3.84Å; K744-V786 HydrophobicContact CG-CG1 3.98Å; K744-V786 PolarHBondContact NZ-O 3.49Å | ||
| 787 | E | 22.4 | Very low | 27.8 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 48% | 0.477 | 62% | 0.615 | S | S | . | * | 83.7 | 155.9 | 116.7 | -141.2 | -144.8 | -71.5 | 0 | 0 | 126.8 | S741 V742 | S741-E787 WeakPolarHBondContact CA-OE2 3.05Å; S741-E787 WeakPolarHBondContact CB-OE1 3.5Å; S741-E787 VanDerWaalsContact CB-OE2 3.27Å; S741-E787 WeakPolarHBondContact CB-OE2 3.44Å; S741-E787 PolarHBondContact N-OE2 2.96Å; S741-E787 PolarHBondContact OG-OE1 3.28Å; S741-E787 PolarHBondContact OG-OE2 3.41Å; V742-E787 WeakPolarHBondContact CA-OE1 3.13Å; V742-E787 HydrophobicContact CG2-CB 4.43Å; V742-E787 WeakPolarHBondContact CG2-OE2 3.07Å; V742-E787 PolarHBondContact N-OE1 3.46Å; V742-E787 PolarHBondContact N-OE2 3.16Å | |||
| 788 | A | 25.6 | Very low | 28.1 | Very low | 58 Ų | 58 | 109.6 Ų | 109.6 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | trans | 80.7 | 105.6 | 163 | 0 | 0 | 0 | 0 | 0 | 125 | V742 | V742-A788 HydrophobicContact CG2-CB 3.25Š| ||
| 789 | H | 26.3 | Very low | 27.8 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | trans | 69.6 | 101.7 | 132.3 | -77.3 | -16.8 | 0 | 0 | 0 | 124.8 | ||||
| 790 | S | 26.1 | Very low | 28.1 | Very low | 90 Ų | 90 | 107.3 Ų | 107.3 | 63% | 0.629 | 61% | 0.611 | S | S | * | * | 100.3 | 114.9 | 104.8 | -66.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 791 | I | 26.5 | Very low | 27.9 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 75% | 0.754 | 61% | 0.61 | S | S | * | * | trans | 79.3 | 109.3 | 138.1 | -54.9 | 161.5 | 0 | 0 | 0 | 120.6 | ||||
| 792 | H | 33.7 | Very low | 27.8 | Very low | 181 Ų | 181 | 110.1 Ų | 110.1 | 84% | 0.838 | 61% | 0.611 | S | S | * | * | -168.2 | 163 | 123.4 | -103.2 | 64.9 | 0 | 0 | 0 | 107.6 | |||||
| 793 | V | 27.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 109.5 Ų | 109.5 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | cis | 173.9 | 124.6 | -33.1 | 141.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 794 | A | 27.7 | Very low | 27.8 | Very low | 80 Ų | 80 | 113.5 Ų | 113.5 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | trans | 51.9 | 134.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 795 | H | 34.7 | Very low | 27.9 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 62% | 0.616 | 66% | 0.657 | S | S | * | * | -177.6 | 155.4 | 103.2 | -106.5 | -91.4 | 0 | 0 | 0 | 115.5 | |||||
| 796 | H | 35.5 | Very low | 27.9 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 36% | 0.361 | 68% | 0.675 | S | S | . | * | trans | 59.3 | 135.4 | 156.5 | -77.5 | -64.4 | 0 | 0 | 0 | 125.5 | S1980 | H796-S1980 PolarHBondContact ND1-OG 2.8Š| ||
| 797 | N | 25 | Very low | 28.1 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | -71.9 | 160 | 157.1 | -46 | -32.2 | 0 | 0 | 0 | 111.8 | S1980 | N797-S1980 WeakPolarHBondContact O-CB 3.48Å; N797-S1980 PolarHBondContact O-OG 2.88Å | ||
| 798 | V | 29.8 | Very low | 28.4 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | -171.5 | 157 | 130.8 | 132.7 | 0 | 0 | 0 | 0 | 110.5 | S1980 | V798-S1980 VanDerWaalsContact CG2-CB 3.49Š| ||
| 799 | S | 23.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -118.7 | 179.7 | 178.5 | -131.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 800 | P | 34.1 | Very low | 28.3 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 59% | 0.591 | 73% | 0.733 | S | S | * | * | cis | -134 | -172.2 | -8.6 | 37.3 | -17.2 | 0 | 0 | 0 | 113.8 | ||||
| 801 | E | 24.2 | Very low | 28.3 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 66.3 | 135.5 | 141.2 | -84.3 | 161.2 | -126.9 | 0 | 0 | 124.5 | ||||
| 802 | N | 27.5 | Very low | 28.2 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 85.1 | 112.5 | 155.2 | -59.4 | -38.7 | 0 | 0 | 0 | 119.9 | ||||
| 803 | G | 30.4 | Very low | 27.8 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | trans | 128.5 | 99 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 804 | D | 26.7 | Very low | 27.8 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | trans | -66.7 | 133.4 | 166.6 | -67.3 | -70.3 | 0 | 0 | 0 | 111.5 | ||||
| 805 | Q | 29 | Very low | 27.7 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | -177.7 | 111.7 | 124.6 | -99.3 | 167.5 | 19.4 | 0 | 0 | 114.5 | |||||
| 806 | L | 24.7 | Very low | 27.2 | Very low | 168 Ų | 168 | 129 Ų | 129 | 88% | 0.88 | 73% | 0.73 | S | S | * | * | 48.1 | 87.2 | 120.7 | -153.5 | 80.1 | 0 | 0 | 0 | 119.4 | |||||
| 807 | C | 28.9 | Very low | 26.9 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -153 | 126.7 | 157.2 | -114.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 808 | R | 29.7 | Very low | 27.2 | Very low | 226 Ų | 226 | 131 Ų | 131 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | 38.8 | 110.7 | 142.3 | -64.8 | -177 | 179.9 | -175.9 | 0.1 | 122.2 | ||||
| 809 | M | 24.9 | Very low | 27.2 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | 57.3 | 98.1 | 117.9 | -72.6 | 171.1 | 159.6 | 0 | 0 | 122 | |||||
| 810 | T | 24.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | 50.9 | 140.1 | 119.3 | 39 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 811 | Q | 26 | Very low | 27.3 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | 76.4 | 153.5 | 152.6 | -73.5 | -179.6 | 46.8 | 0 | 0 | 117.4 | ||||
| 812 | S | 24.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | cis | -171.7 | 158.4 | -8.5 | 162.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 813 | V | 24.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | cis | -162.4 | 138.2 | -25.8 | 148.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 814 | A | 27.8 | Very low | 27.5 | Very low | 57 Ų | 57 | 125.6 Ų | 125.6 | 47% | 0.471 | 70% | 0.704 | S | S | . | * | trans | 63.1 | 148.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | I377 | I377-A814 HydrophobicContact CD1-CB 3.59Å; I377-A814 HydrophobicContact CG2-CB 4.11Å | ||
| 815 | V | 25.1 | Very low | 27.5 | Very low | 121 Ų | 121 | 123 Ų | 123 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | 164.8 | 138.9 | 117.9 | 155.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 816 | S | 25.4 | Very low | 27.6 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | trans | 69.2 | 135.6 | 152.7 | -83.7 | 0 | 0 | 0 | 0 | 128.3 | ||||
| 817 | K | 28.9 | Very low | 27.7 | Very low | 151 Ų | 151 | 121.5 Ų | 121.5 | 66% | 0.657 | 69% | 0.685 | S | S | * | * | trans | 69.3 | 173.3 | 136.8 | -72.7 | -171.8 | 174.3 | -175.4 | 0 | 121.3 | D738 | D738-K817 IonicContact OD2-NZ 3.16Å; D738-K817 PolarHBondContact OD2-NZ 2.56Å | ||
| 818 | T | 30.8 | Very low | 27.6 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | trans | -156.2 | 133.8 | -164.3 | -68.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 819 | I | 29.6 | Very low | 27.5 | Very low | 162 Ų | 162 | 117.3 Ų | 117.3 | 83% | 0.831 | 68% | 0.675 | S | S | * | * | trans | -125 | 144 | 151.1 | -66.8 | -177.4 | 0 | 0 | 0 | 107.5 | ||||
| 820 | A | 29.4 | Very low | 27.7 | Very low | 85 Ų | 85 | 112.5 Ų | 112.5 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | trans | -139.9 | 113.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 821 | T | 31 | Very low | 28.1 | Very low | 115 Ų | 115 | 113.3 Ų | 113.3 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | trans | -145.3 | 94.5 | 162 | 37.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 822 | T | 29.6 | Very low | 28.2 | Very low | 91 Ų | 91 | 112.4 Ų | 112.4 | 56% | 0.558 | 67% | 0.674 | S | S | * | * | 69.2 | 110.9 | 106.8 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 823 | T | 28.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | 69.5 | 121.4 | 71.4 | -52.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 824 | T | 28.3 | Very low | 28.8 | Very low | 54 Ų | 54 | 117.4 Ų | 117.4 | 33% | 0.331 | 69% | 0.688 | S | S | . | * | cis | -156.7 | 165.2 | 33.1 | -28.2 | 0 | 0 | 0 | 0 | 112.6 | Q483 | Q483-T824 VanDerWaalsContact C-OG1 3.31Å; Q483-T824 WeakPolarHBondContact O-CB 3.3Å; Q483-T824 PolarHBondContact O-OG1 3.17Å | ||
| 825 | T | 27.2 | Very low | 29 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 64% | 0.638 | 70% | 0.695 | S | S | * | * | trans | -31.7 | 147 | 162.7 | 54 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 826 | I | 29.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | -161.7 | 120.5 | 109.8 | -94.5 | 150.9 | 0 | 0 | 0 | 106.8 | |||||
| 827 | Q | 26.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 117.6 Ų | 117.6 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | 80.2 | 137.6 | 66.7 | -114.5 | -162.5 | -31.5 | 0 | 0 | 115.5 | |||||
| 828 | V | 28.1 | Very low | 29.7 | Very low | 101 Ų | 101 | 115.2 Ų | 115.2 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | trans | 82.1 | 122.3 | 145.9 | 171.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 829 | N | 28 | Very low | 29.7 | Very low | 155 Ų | 155 | 113 Ų | 113 | 83% | 0.829 | 67% | 0.669 | S | S | * | * | trans | 61.5 | 145.1 | 157.7 | -60.6 | -7.8 | 0 | 0 | 0 | 120.8 | ||||
| 830 | G | 29.1 | Very low | 29.8 | Very low | 68 Ų | 68 | 110.8 Ų | 110.8 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | cis | 136.2 | 128.7 | -13 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 831 | T | 32.6 | Very low | 29.8 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 83% | 0.828 | 67% | 0.665 | S | S | * | * | trans | -158.1 | 117.3 | 160.5 | 41.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 832 | N | 27.8 | Very low | 29.7 | Very low | 160 Ų | 160 | 114.4 Ų | 114.4 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | 46.7 | 107.2 | 80.9 | -78.3 | -9.1 | 0 | 0 | 0 | 114.3 | |||||
| 833 | V | 34 | Very low | 29.8 | Very low | 149 Ų | 149 | 115.3 Ų | 115.3 | 90% | 0.903 | 67% | 0.671 | S | S | * | * | -158.6 | 137.9 | 124.9 | 140.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 834 | Q | 28.9 | Very low | 29.7 | Very low | 179 Ų | 179 | 117.8 Ų | 117.8 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -81 | 167.4 | 176.6 | -84 | 168.8 | -58.6 | 0 | 0 | 110.7 | ||||
| 835 | S | 31.5 | Very low | 30.1 | Very low | 87 Ų | 87 | 122.1 Ų | 122.1 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | cis | 175.1 | 166 | -2 | 48.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 836 | N | 31.8 | Very low | 30.1 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 54% | 0.535 | 71% | 0.71 | S | S | . | * | trans | 68.6 | 155.4 | 152.3 | -72.7 | 38.7 | 0 | 0 | 0 | 117.8 | ||||
| 837 | D | 31.5 | Very low | 29.9 | Very low | 82 Ų | 82 | 123 Ų | 123 | 44% | 0.439 | 72% | 0.717 | S | S | . | * | cis | -159.3 | 158.2 | -4 | -110.9 | -27.4 | 0 | 0 | 0 | 111.4 | E864 | D837-E864 WeakPolarHBondContact OD1-CB 3.4Š| ||
| 838 | S | 30 | Very low | 30.1 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -173.1 | 125.7 | 131.9 | 26.2 | 0 | 0 | 0 | 0 | 114.6 | A863 | S838-A863 WeakPolarHBondContact O-CB 3.36Š| ||
| 839 | S | 30.8 | Very low | 30.1 | Very low | 66 Ų | 66 | 124.4 Ų | 124.4 | 46% | 0.462 | 72% | 0.72 | S | S | . | * | trans | -159.7 | 175.9 | -173.3 | 75 | 0 | 0 | 0 | 0 | 110.9 | E864 | S839-E864 WeakPolarHBondContact CB-O 3.33Å; S839-E864 PolarHBondContact OG-O 3.22Å | ||
| 840 | V | 31.9 | Very low | 30.2 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | cis | -168.6 | 153 | -31 | 57.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 841 | N | 30.4 | Very low | 30.2 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | -156.9 | 110.9 | -175.7 | -152.1 | 35.4 | 0 | 0 | 0 | 118.3 | ||||
| 842 | L | 28.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | 24.8 | 159 | 121.4 | -54.2 | 178.8 | 0 | 0 | 0 | 122.3 | |||||
| 843 | T | 30.2 | Very low | 30.3 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | cis | 171.2 | 142.8 | -41.9 | 36.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 844 | N | 27.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | trans | 160.3 | 165.1 | 142.6 | -87 | -10.6 | 0 | 0 | 0 | 117.1 | ||||
| 845 | T | 34.9 | Very low | 30.1 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | 89.1 | 167.1 | 165.5 | 72.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 846 | S | 28.1 | Very low | 29.9 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | -153.7 | 157.7 | -138.2 | 56.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 847 | N | 26.7 | Very low | 29.6 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | 56.4 | 108.1 | 155.8 | -62.8 | 1.2 | 0 | 0 | 0 | 120.8 | ||||
| 848 | H | 30.1 | Very low | 29.4 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | -176.1 | 155.3 | 105.2 | -111.9 | -87.4 | 0 | 0 | 0 | 113.7 | |||||
| 849 | D | 28 | Very low | 29.3 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | 59.1 | 123 | 154.2 | -61.9 | -4.8 | 0 | 0 | 0 | 123.9 | ||||
| 850 | N | 29.3 | Very low | 29 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 62.3 | 100.3 | 143.5 | -61.7 | -41.9 | 0 | 0 | 0 | 122.2 | ||||
| 851 | I | 28.8 | Very low | 28.8 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | 34.4 | 133.1 | 106.9 | -60 | 174.4 | 0 | 0 | 0 | 117.3 | |||||
| 852 | P | 33.4 | Very low | 28.6 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | cis | -131.9 | 160.5 | 17.7 | 23.4 | 0.3 | 0 | 0 | 0 | 117.9 | ||||
| 853 | K | 30.5 | Very low | 28.5 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 56.7 | 90.1 | 153.1 | -64.7 | 173.4 | -178.8 | -178.1 | 0 | 117.7 | ||||
| 854 | S | 29 | Very low | 28.3 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | 79.7 | 56.1 | 69.2 | 80 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 855 | I | 28.2 | Very low | 28.4 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 82% | 0.815 | 72% | 0.724 | S | S | * | * | 18.7 | 129 | 116.1 | -63.1 | 165.9 | 0 | 0 | 0 | 115.8 | |||||
| 856 | S | 28.4 | Very low | 28.2 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | cis | 102 | 152.6 | 25.5 | -164.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 857 | I | 25.2 | Very low | 28.3 | Very low | 144 Ų | 144 | 144 Ų | 144 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | -104.6 | 177.7 | -178.5 | -69.4 | 171.2 | 0 | 0 | 0 | 109.6 | ||||
| 858 | D | 27.5 | Very low | 28.4 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | 77.2 | 155.5 | -178.2 | -52.3 | -47.4 | 0 | 0 | 0 | 114.2 | ||||
| 859 | D | 26.6 | Very low | 28.5 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | cis | -159.5 | 173.6 | 21.5 | -155.5 | -4 | 0 | 0 | 0 | 114 | ||||
| 860 | Y | 25.3 | Very low | 28.5 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | trans | 59.3 | 126.4 | 147.9 | -99 | -148.6 | 0 | 0 | 0 | 125.9 | ||||
| 861 | I | 27.5 | Very low | 28.5 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | trans | 81.5 | 116.7 | 130.7 | -73.4 | -173.9 | 0 | 0 | 0 | 124.5 | ||||
| 862 | K | 26.4 | Very low | 28.6 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 65 | 132.2 | 140.2 | -76.3 | -177.1 | -179.2 | 180 | 0 | 126.3 | ||||
| 863 | A | 27 | Very low | 28.4 | Very low | 64 Ų | 64 | 147.9 Ų | 147.9 | 53% | 0.529 | 72% | 0.721 | S | S | . | * | 107.6 | 160.3 | 129.1 | 0 | 0 | 0 | 0 | 0 | 122 | S838 | S838-A863 WeakPolarHBondContact O-CB 3.36Š| |||
| 864 | E | 25.9 | Very low | 28.2 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 47% | 0.467 | 71% | 0.714 | S | S | . | * | trans | -94.3 | -178.8 | -161.5 | -70 | 171.3 | 108.6 | 0 | 0 | 116.4 | D837 S839 | D837-E864 WeakPolarHBondContact OD1-CB 3.4Å; S839-E864 WeakPolarHBondContact CB-O 3.33Å; S839-E864 PolarHBondContact OG-O 3.22Å | ||
| 865 | K | 29.1 | Very low | 28.4 | Very low | 154 Ų | 154 | 146 Ų | 146 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | trans | -95 | 161.3 | -165.6 | -69.9 | -173.1 | 173.9 | -175.8 | 0 | 116.5 | ||||
| 866 | H | 31.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | trans | 86 | 112.4 | 150.6 | -67.7 | -68.8 | 0 | 0 | 0 | 120.3 | ||||
| 867 | R | 29.8 | Very low | 28.6 | Very low | 245 Ų | 245 | 142.3 Ų | 142.3 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | -167.2 | 166.5 | 101.7 | -105.8 | 173.3 | 178.9 | 147.2 | 2.7 | 113.5 | |||||
| 868 | N | 29.2 | Very low | 28.9 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -78.1 | 157.4 | 174.9 | -49.9 | -6.1 | 0 | 0 | 0 | 109.6 | ||||
| 869 | D | 31.6 | Very low | 29.1 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 66% | 0.658 | 70% | 0.701 | S | S | * | * | 179 | 155.2 | 69 | -112.3 | -60.6 | 0 | 0 | 0 | 109.6 | |||||
| 870 | R | 29.1 | Very low | 29.4 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | trans | 50.6 | 144.4 | 143 | -66.4 | 176.2 | -161.8 | -149.4 | -1.3 | 121.9 | ||||
| 871 | Q | 28.3 | Very low | 29.8 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | cis | -176.6 | 155.4 | -15.4 | -126.2 | 174.7 | -29.5 | 0 | 0 | 108.8 | ||||
| 872 | H | 30 | Very low | 30 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 70% | 0.704 | 71% | 0.708 | S | S | * | * | trans | 49.7 | 128.6 | 159.2 | -58.2 | -66.1 | 0 | 0 | 0 | 119.3 | ||||
| 873 | L | 29.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | -161.3 | 147.9 | 60.1 | -86.7 | 163.5 | 0 | 0 | 0 | 113.1 | |||||
| 874 | S | 28.2 | Very low | 30.4 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | trans | 21.6 | 151.2 | 133.1 | -49.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 875 | I | 31.3 | Very low | 30.8 | Very low | 160 Ų | 160 | 140 Ų | 140 | 82% | 0.821 | 71% | 0.708 | S | S | * | * | cis | -166.2 | 164.7 | -6 | -115 | 167.4 | 0 | 0 | 0 | 106.6 | ||||
| 876 | G | 30.4 | Very low | 30.9 | Very low | 62 Ų | 62 | 138.2 Ų | 138.2 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | cis | -132.3 | -130.4 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 877 | D | 31.9 | Very low | 30.8 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | cis | -155 | 136.7 | -7.2 | -116.3 | 7.7 | 0 | 0 | 0 | 106.8 | ||||
| 878 | Y | 30.1 | Very low | 30.7 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | 37.3 | 129.9 | 156.8 | -60.5 | -77.5 | 0 | 0 | 0 | 120.9 | ||||
| 879 | D | 31.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 70% | 0.701 | S | S | * | * | cis | -170.9 | 168 | 6.4 | -144.5 | 3.5 | 0 | 0 | 0 | 115.6 | ||||
| 880 | N | 33.7 | Very low | 30.4 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 58% | 0.578 | 71% | 0.707 | S | S | * | * | trans | 72 | 91.2 | 152.9 | -65 | -54.9 | 0 | 0 | 0 | 123.8 | ||||
| 881 | N | 33.1 | Very low | 30.3 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | 66.6 | 131.1 | 117.5 | -46.3 | -24 | 0 | 0 | 0 | 123.3 | |||||
| 882 | G | 31.5 | Very low | 30.2 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | trans | 161.7 | 98.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 883 | E | 31.4 | Very low | 30 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | trans | -72.6 | 158.9 | 173.9 | -72.7 | 153.2 | 172.3 | 0 | 0 | 111.1 | T909 | E883-T909 HydrophobicContact CB-CG2 3.66Å; E883-T909 HydrophobicContact CG-CG2 3.74Å; E883-T909 WeakPolarHBondContact OE2-CB 3.13Å; E883-T909 PolarHBondContact OE2-OG1 3.29Å | ||
| 884 | E | 30.7 | Very low | 29.7 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | 60.7 | 162.4 | 57 | -61.1 | -176 | 116.3 | 0 | 0 | 111.1 | V908 T909 | E884-V908 CarbonylContact C-O 3.49Å; E884-V908 VanDerWaalsContact C-O 3.24Å; E884-T909 HydrophobicContact CB-CG2 4.23Å | |||
| 885 | D | 34.8 | Very low | 29.9 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 38% | 0.38 | 71% | 0.705 | S | S | . | * | cis | -124.4 | -137.6 | 19.4 | -162.3 | -48.9 | 0 | 0 | 0 | 111.2 | V908 T909 T910 | D885-V908 HydrophobicContact CB-CB 3.99Å; D885-V908 HydrophobicContact CB-CG1 3.85Å; D885-V908 WeakPolarHBondContact CB-O 3.42Å; D885-V908 PolarHBondContact N-O 3.09Å; D885-T909 HydrophobicContact CB-CG2 3.83Å; D885-T909 WeakPolarHBondContact OD2-CA 3.19Å; D885-T910 WeakPolarHBondContact OD2-CB 3.39Å; D885-T910 PolarHBondContact OD2-N 2.92Å; D885-T910 PolarHBondContact OD2-OG1 3.24Å | ||
| 886 | D | 31.1 | Very low | 29.5 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | -139.6 | -172.3 | -149.4 | -162.8 | 7 | 0 | 0 | 0 | 116.6 | ||||
| 887 | L | 28.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | 98.6 | 164.6 | 143 | -82.5 | 167.5 | 0 | 0 | 0 | 125.3 | ||||
| 888 | N | 28.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | -123.2 | 162.3 | -156.9 | -61.3 | -87.7 | 0 | 0 | 0 | 115.3 | ||||
| 889 | D | 27.4 | Very low | 28.6 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | trans | 30.6 | 126 | 147.6 | -63.4 | -26.4 | 0 | 0 | 0 | 122.9 | ||||
| 890 | I | 28.1 | Very low | 28.7 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | 172.6 | 121 | 113.5 | -88.2 | 162.1 | 0 | 0 | 0 | 113.8 | |||||
| 891 | I | 26.8 | Very low | 28.1 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | trans | 26.6 | 139.6 | 143.8 | -35.1 | 178.4 | 0 | 0 | 0 | 122.3 | ||||
| 892 | H | 26.8 | Very low | 27.8 | Very low | 146 Ų | 146 | 121.8 Ų | 121.8 | 68% | 0.676 | 64% | 0.639 | S | S | * | * | trans | 84 | 147 | 166.1 | -67.9 | -63.9 | 0 | 0 | 0 | 116.9 | ||||
| 893 | Y | 25 | Very low | 27.4 | Very low | 186 Ų | 186 | 127 Ų | 127 | 73% | 0.729 | 64% | 0.639 | S | S | * | * | cis | -160.6 | 149 | -4.7 | -129.4 | -41.5 | 0 | 0 | 0 | 112.1 | ||||
| 894 | T | 23 | Very low | 27 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | trans | 70.9 | -176.1 | 158.7 | 76.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 895 | P | 32.7 | Very low | 26.9 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | -138.9 | -176.5 | -112.3 | 39.4 | -15.5 | 0 | 0 | 0 | 118 | |||||
| 896 | E | 22.2 | Very low | 26.5 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | trans | 69.9 | 136.4 | 152.7 | -142.4 | -174.7 | -91.2 | 0 | 0 | 121.1 | ||||
| 897 | R | 25.9 | Very low | 26.3 | Very low | 179 Ų | 179 | 129 Ų | 129 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | trans | 108.6 | 64.2 | 157.2 | -53.5 | -168.9 | 177.5 | -142.3 | -12.9 | 121.6 | K954 | R897-K954 WeakPolarHBondContact O-CA 3.23Å; R897-K954 VanDerWaalsContact O-CB 3.25Å; R897-K954 WeakPolarHBondContact O-CB 3.18Å; R897-K954 PolarHBondContact O-N 3.46Å | ||
| 898 | I | 25.1 | Very low | 26.2 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 41% | 0.405 | 66% | 0.655 | S | S | . | * | trans | 46 | -114.7 | 138.6 | 168.3 | 160.6 | 0 | 0 | 0 | 125 | S952 K954 F955 S956 | I898-S952 VanDerWaalsContact CG2-C 3.44Å; I898-S952 VanDerWaalsContact CG2-CA 3.45Å; I898-K954 VanDerWaalsContact C-N 3.31Å; I898-F955 CarbonylContact O-C 3.6Å; I898-F955 WeakPolarHBondContact O-CA 3.17Å; I898-F955 PolarHBondContact O-N 2.91Å; I898-S956 WeakPolarHBondContact O-CA 3.29Å; I898-S956 WeakPolarHBondContact O-CB 3.5Å; I898-S956 PolarHBondContact O-N 3.41Å | ||
| 899 | S | 22.6 | Very low | 26.2 | Very low | 21 Ų | 21 | 123.2 Ų | 123.2 | 15% | 0.147 | 64% | 0.64 | C | S | . | * | trans | -116.2 | 157 | -154.7 | 46.6 | 0 | 0 | 0 | 0 | 123 | E953 K954 S956 | S899-E953 WeakPolarHBondContact CB-OE1 3.1Å; S899-E953 CarbonylContact O-C 3.24Å; S899-E953 WeakPolarHBondContact OG-CA 3.32Å; S899-E953 PolarHBondContact OG-N 3.48Å; S899-E953 PolarHBondContact OG-OE1 2.86Å; S899-K954 CarbonylContact C-O 2.77Å; S899-K954 VanDerWaalsContact C-O 3.22Å; S899-K954 CarbonylContact O-C 3.55Å; S899-K954 WeakPolarHBondContact O-CA 3.34Å; S899-K954 PolarHBondContact O-N 2.95Å; S899-K954 VanDerWaalsContact O-N 3.09Å; S899-K954 PolarHBondContact O-NZ 3.48Å; S899-S956 WeakPolarHBondContact CA-OG 3.17Å; S899-S956 WeakPolarHBondContact CB-OG 2.95Å | ||
| 900 | P | 33.7 | Very low | 26.2 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 39% | 0.39 | 63% | 0.632 | S | S | . | * | -105.7 | 173.7 | -128.5 | 43.1 | -41.8 | 0 | 0 | 0 | 122.5 | K954 F955 | P900-K954 WeakPolarHBondContact CA-O 3.26Å; P900-F955 HydrophobicContact CB-CD1 3.82Å; P900-F955 HydrophobicContact CB-CE1 4.12Å; P900-F955 HydrophobicContact CB-CG 4.19Å | |||
| 901 | M | 22.1 | Very low | 26.3 | Very low | 144 Ų | 144 | 121.8 Ų | 121.8 | 71% | 0.709 | 64% | 0.636 | S | S | * | * | 167.9 | 144.5 | 129.8 | -94.4 | -171.3 | 76 | 0 | 0 | 117.9 | F955 | M901-F955 WeakPolarHBondContact O-CZ 3.26Š| |||
| 902 | S | 25.6 | Very low | 26.3 | Very low | 78 Ų | 78 | 121.8 Ų | 121.8 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | trans | 60.1 | 138.4 | 146.1 | 68.3 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 903 | F | 23.3 | Very low | 26.3 | Very low | 189 Ų | 189 | 119.5 Ų | 119.5 | 83% | 0.829 | 63% | 0.633 | S | S | * | * | trans | 64.6 | 135.6 | 161.6 | -67.5 | -69.2 | 0 | 0 | 0 | 118.7 | ||||
| 904 | D | 23.9 | Very low | 26.5 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 57% | 0.572 | 63% | 0.63 | S | S | * | * | cis | -156.1 | 164.3 | -13.7 | -155.6 | 9.4 | 0 | 0 | 0 | 111.2 | ||||
| 905 | R | 27.2 | Very low | 26.6 | Very low | 224 Ų | 224 | 119 Ų | 119 | 85% | 0.845 | 63% | 0.633 | S | S | * | * | trans | 35.7 | 141.9 | 158.2 | -68.7 | 159.7 | -157.5 | -120.3 | -5.3 | 122.3 | ||||
| 906 | G | 27.3 | Very low | 26.3 | Very low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | 121.3 | 105.1 | 121.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 907 | T | 26.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 117.8 Ų | 117.8 | 83% | 0.834 | 64% | 0.643 | S | S | * | * | trans | -11.3 | 157.2 | 147.2 | 42.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 908 | V | 27.7 | Very low | 26.8 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 53% | 0.533 | 65% | 0.649 | S | S | . | * | trans | -103.1 | 137.3 | -168.8 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | E884 D885 | E884-V908 CarbonylContact C-O 3.49Å; E884-V908 VanDerWaalsContact C-O 3.24Å; D885-V908 HydrophobicContact CB-CB 3.99Å; D885-V908 HydrophobicContact CB-CG1 3.85Å; D885-V908 WeakPolarHBondContact CB-O 3.42Å; D885-V908 PolarHBondContact N-O 3.09Å | ||
| 909 | T | 27.8 | Very low | 26.9 | Very low | 63 Ų | 63 | 120.2 Ų | 120.2 | 39% | 0.387 | 67% | 0.667 | S | S | . | * | trans | -156.1 | 133.6 | 153.3 | -1.5 | 0 | 0 | 0 | 0 | 114.9 | E883 E884 D885 | E883-T909 HydrophobicContact CB-CG2 3.66Å; E883-T909 HydrophobicContact CG-CG2 3.74Å; E883-T909 WeakPolarHBondContact OE2-CB 3.13Å; E883-T909 PolarHBondContact OE2-OG1 3.29Å; E884-T909 HydrophobicContact CB-CG2 4.23Å; D885-T909 HydrophobicContact CB-CG2 3.83Å; D885-T909 WeakPolarHBondContact OD2-CA 3.19Å | ||
| 910 | T | 28 | Very low | 27.2 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | -17.7 | 142.7 | 160.1 | -73.3 | 0 | 0 | 0 | 0 | 120.9 | D885 | D885-T910 WeakPolarHBondContact OD2-CB 3.39Å; D885-T910 PolarHBondContact OD2-N 2.92Å; D885-T910 PolarHBondContact OD2-OG1 3.24Å | ||
| 911 | I | 28.7 | Very low | 26.8 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 86% | 0.862 | 72% | 0.719 | S | S | * | * | trans | -137.8 | 147.4 | 150.6 | -75.9 | -171.3 | 0 | 0 | 0 | 110.9 | ||||
| 912 | E | 26.9 | Very low | 27 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | trans | -125.8 | 170.5 | 175.3 | -118.7 | -104.1 | 115 | 0 | 0 | 109 | H914 | E912-H914 IonicContact OE1-CD2 2.66Å; E912-H914 PolarHBondContact OE1-CD2 2.87Å; E912-H914 IonicContact OE1-CG 3.96Å; E912-H914 PolarHBondContact OE1-N 3.42Å; E912-H914 IonicContact OE2-CD2 3.59Å | ||
| 913 | S | 27.4 | Very low | 27.1 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | cis | -149 | 160.6 | 24 | 64.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 914 | H | 29 | Very low | 27.3 | Very low | 142 Ų | 142 | 132 Ų | 132 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | 24 | 106.9 | 147.4 | -93.6 | -91.6 | 0 | 0 | 0 | 120.1 | E912 | E912-H914 IonicContact OE1-CD2 2.66Å; E912-H914 PolarHBondContact OE1-CD2 2.87Å; E912-H914 IonicContact OE1-CG 3.96Å; E912-H914 PolarHBondContact OE1-N 3.42Å; E912-H914 IonicContact OE2-CD2 3.59Å | ||
| 915 | L | 24.9 | Very low | 27.4 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 40.8 | 121.4 | 134 | -74.9 | 165.5 | 0 | 0 | 0 | 120.7 | ||||
| 916 | S | 27.8 | Very low | 27.6 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 88% | 0.881 | 74% | 0.739 | S | S | * | * | trans | -136.8 | 164.9 | 151.6 | -83.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 917 | S | 29.5 | Very low | 27.7 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -139.1 | -160.7 | -155.5 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 918 | I | 28.3 | Very low | 27.8 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 79.7 | 132.9 | 170.7 | -57.3 | 173.5 | 0 | 0 | 0 | 115.9 | ||||
| 919 | I | 28 | Very low | 27.9 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | cis | -163.5 | 143.1 | -30.8 | -167 | 167.8 | 0 | 0 | 0 | 108.9 | ||||
| 920 | A | 28.4 | Very low | 28 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | -165.3 | 145.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 921 | Q | 24.7 | Very low | 28.1 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -112.4 | 139.4 | 147.9 | -67.6 | 178.6 | -102.3 | 0 | 0 | 106.6 | ||||
| 922 | D | 27.4 | Very low | 28.3 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 151.4 | 147.8 | 141.3 | -78.4 | -19.5 | 0 | 0 | 0 | 110.8 | ||||
| 923 | E | 27 | Very low | 28.5 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 63.4 | 128.5 | 174.6 | -56.5 | -168 | 144.1 | 0 | 0 | 119.2 | ||||
| 924 | I | 26.7 | Very low | 28.7 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 37.5 | 123.5 | 129.4 | -53.7 | 168.9 | 0 | 0 | 0 | 118.5 | |||||
| 925 | D | 27.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | 63.4 | 147.6 | 175.8 | -52.1 | -29 | 0 | 0 | 0 | 114.5 | ||||
| 926 | D | 31 | Very low | 28.8 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | cis | -117.7 | 162.7 | 0.1 | -88.5 | -60.1 | 0 | 0 | 0 | 111.9 | R928 | D926-R928 PolarHBondContact O-N 2.98Š| ||
| 927 | C | 29.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 91% | 0.905 | 77% | 0.768 | S | S | * | * | trans | -81.8 | 108.4 | -169.3 | -69.2 | 0 | 0 | 0 | 0 | 114.9 | D929 | C927-D929 PolarHBondContact O-N 3.45Š| ||
| 928 | R | 29.1 | Very low | 28.6 | Very low | 224 Ų | 224 | 146.4 Ų | 146.4 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -63.9 | 124.8 | 168.6 | -80.7 | -179 | 169.5 | 126 | -0.5 | 113.3 | D926 | D926-R928 PolarHBondContact O-N 2.98Š| ||
| 929 | D | 29.7 | Very low | 28.4 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 43 | 134.2 | 103 | -48.4 | -43.4 | 0 | 0 | 0 | 118.5 | C927 | C927-D929 PolarHBondContact O-N 3.45Š| |||
| 930 | N | 29.4 | Very low | 28.4 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | cis | -151.8 | 153.2 | 28.1 | -144.6 | -29.7 | 0 | 0 | 0 | 113.7 | ||||
| 931 | N | 29.7 | Very low | 28.3 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 58.1 | 109.1 | 169.6 | -73.8 | -37.3 | 0 | 0 | 0 | 120.7 | ||
| 932 | N | 33.4 | Very low | 28.5 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 69.3 | 79.7 | 146.1 | -71.9 | -33.8 | 0 | 0 | 0 | 121.1 | ||||
| 933 | N | 31.4 | Very low | 28.4 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | 62.3 | 90.3 | 117.5 | -70.7 | -44 | 0 | 0 | 0 | 120.4 | |||||
| 934 | N | 30.7 | Very low | 28.5 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | 59.9 | 98.1 | 112.6 | -65.8 | -34.3 | 0 | 0 | 0 | 120.8 | |||||
| 935 | N | 28.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | 54.1 | 122 | 108.6 | -69.1 | -19.1 | 0 | 0 | 0 | 122.4 | |||||
| 936 | H | 28.4 | Very low | 28.4 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | 44.5 | 129.5 | 128.5 | -70.2 | -10 | 0 | 0 | 0 | 123.8 | |||||
| 937 | H | 26.8 | Very low | 28.1 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | trans | 32.1 | 110.6 | 135.9 | -68.6 | -34 | 0 | 0 | 0 | 122.8 | ||||
| 938 | K | 25.5 | Very low | 27.9 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 50% | 0.5 | 70% | 0.696 | S | S | . | * | 68.1 | 109.3 | 129.3 | -56.8 | -152.9 | -163.1 | 87 | 0 | 122.1 | F1495 | K938-F1495 HydrophobicContact CD-CB 4.01Å; K938-F1495 HydrophobicContact CD-CD1 3.84Å; K938-F1495 HydrophobicContact CD-CD2 3.62Å; K938-F1495 HydrophobicContact CD-CE1 4.24Å; K938-F1495 HydrophobicContact CD-CE2 4.05Å; K938-F1495 HydrophobicContact CD-CG 3.54Å; K938-F1495 HydrophobicContact CD-CZ 4.35Å; K938-F1495 VanDerWaalsContact CE-CD2 3.42Å | |||
| 939 | E | 24.7 | Very low | 27.6 | Very low | 86 Ų | 86 | 135 Ų | 135 | 40% | 0.402 | 69% | 0.692 | S | S | . | * | 70.3 | 157.4 | 124.4 | -154.1 | 168.6 | -142 | 0 | 0 | 120.7 | S1493 S1494 F1495 | E939-S1493 VanDerWaalsContact OE1-C 3.23Å; E939-S1493 VanDerWaalsContact OE1-CA 3.3Å; E939-S1493 WeakPolarHBondContact OE1-CA 3.44Å; E939-S1494 VanDerWaalsContact CD-CA 3.49Å; E939-S1494 WeakPolarHBondContact OE1-CA 3.19Å; E939-S1494 PolarHBondContact OE1-N 3.39Å; E939-S1494 VanDerWaalsContact OE1-N 3.17Å; E939-S1494 WeakPolarHBondContact OE2-CA 3.31Å; E939-F1495 PolarHBondContact OE2-N 2.95Å | |||
| 940 | F | 27.9 | Very low | 27.3 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | trans | 71 | 129.2 | -170.8 | -66.5 | -86.7 | 0 | 0 | 0 | 113.9 | ||||
| 941 | D | 26 | Very low | 27.1 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | cis | -158.2 | 170.8 | -7.8 | -154.5 | -9.2 | 0 | 0 | 0 | 110.9 | ||||
| 942 | Y | 27.8 | Very low | 26.8 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 75% | 0.745 | 67% | 0.674 | S | S | * | * | trans | 53.3 | 107.8 | 172.9 | -75.7 | -96.5 | 0 | 0 | 0 | 118 | ||||
| 943 | S | 25.8 | Very low | 26.4 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | 72.3 | 141.1 | 88.3 | 102.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 944 | S | 28.8 | Very low | 26.1 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | cis | -156.5 | 170.5 | 15.5 | -72 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 945 | S | 28.9 | Very low | 26 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | trans | 40.7 | 122.3 | 152.4 | -55.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 946 | K | 24.5 | Very low | 25.8 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | cis | 69.7 | 126.6 | 37.7 | -146.2 | -179.3 | -157.9 | 168.3 | 0 | 113.3 | S1488 T1489 | K946-S1488 PolarHBondContact NZ-OG 3.32Å; K946-T1489 PolarHBondContact NZ-O 3.29Å | ||
| 947 | Q | 24.7 | Very low | 25.7 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | trans | 75.9 | 148.6 | 175.7 | -64.8 | -168.9 | -50.3 | 0 | 0 | 117.7 | ||||
| 948 | I | 23.4 | Very low | 25.6 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 70% | 0.697 | 64% | 0.641 | S | S | * | * | cis | -168.4 | 161.1 | -27.8 | -140.8 | 164.6 | 0 | 0 | 0 | 110.8 | ||||
| 949 | I | 23 | Very low | 25.8 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | trans | 84.7 | -175.6 | 166.2 | -80.7 | 168.2 | 0 | 0 | 0 | 118.1 | ||||
| 950 | T | 24.2 | Very low | 26.4 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | trans | -137.6 | -161.7 | -137.5 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 951 | D | 24.1 | Very low | 26.3 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | cis | -165.3 | 177.7 | 16 | -135 | -50.2 | 0 | 0 | 0 | 116 | ||||
| 952 | S | 24.7 | Very low | 26.2 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 54% | 0.538 | 68% | 0.681 | S | S | . | * | trans | 70 | 140.3 | 160.9 | 64 | 0 | 0 | 0 | 0 | 122.5 | I898 | I898-S952 VanDerWaalsContact CG2-C 3.44Å; I898-S952 VanDerWaalsContact CG2-CA 3.45Å | ||
| 953 | E | 24.4 | Very low | 26 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 49% | 0.486 | 67% | 0.674 | S | S | . | * | trans | 75.8 | 70.9 | 158.6 | -80.2 | -66 | 110.3 | 0 | 0 | 125 | S899 | S899-E953 WeakPolarHBondContact CB-OE1 3.1Å; S899-E953 CarbonylContact O-C 3.24Å; S899-E953 WeakPolarHBondContact OG-CA 3.32Å; S899-E953 PolarHBondContact OG-N 3.48Å; S899-E953 PolarHBondContact OG-OE1 2.86Å | ||
| 954 | K | 25.7 | Very low | 25.8 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 46% | 0.457 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -140 | -46 | 134 | -133.2 | 62.3 | -87.2 | 98.1 | 0 | 125.4 | R897 I898 S899 P900 | R897-K954 WeakPolarHBondContact O-CA 3.23Å; R897-K954 VanDerWaalsContact O-CB 3.25Å; R897-K954 WeakPolarHBondContact O-CB 3.18Å; R897-K954 PolarHBondContact O-N 3.46Å; I898-K954 VanDerWaalsContact C-N 3.31Å; S899-K954 CarbonylContact C-O 2.77Å; S899-K954 VanDerWaalsContact C-O 3.22Å; S899-K954 CarbonylContact O-C 3.55Å; S899-K954 WeakPolarHBondContact O-CA 3.34Å; S899-K954 PolarHBondContact O-N 2.95Å; S899-K954 VanDerWaalsContact O-N 3.09Å; S899-K954 PolarHBondContact O-NZ 3.48Å; P900-K954 WeakPolarHBondContact CA-O 3.26Å |
| 955 | F | 27.5 | Very low | 25.4 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | trans | -158.7 | 111.4 | 170.9 | -108.5 | -87.3 | 0 | 0 | 0 | 116.9 | I898 P900 M901 | I898-F955 CarbonylContact O-C 3.6Å; I898-F955 WeakPolarHBondContact O-CA 3.17Å; I898-F955 PolarHBondContact O-N 2.91Å; P900-F955 HydrophobicContact CB-CD1 3.82Å; P900-F955 HydrophobicContact CB-CE1 4.12Å; P900-F955 HydrophobicContact CB-CG 4.19Å; M901-F955 WeakPolarHBondContact O-CZ 3.26Å | ||
| 956 | S | 25 | Very low | 25.2 | Very low | 57 Ų | 57 | 122.7 Ų | 122.7 | 40% | 0.399 | 66% | 0.657 | S | S | . | * | trans | -132.3 | 127.3 | -163 | 59.8 | 0 | 0 | 0 | 0 | 117.9 | I898 S899 | I898-S956 WeakPolarHBondContact O-CA 3.29Å; I898-S956 WeakPolarHBondContact O-CB 3.5Å; I898-S956 PolarHBondContact O-N 3.41Å; S899-S956 WeakPolarHBondContact CA-OG 3.17Å; S899-S956 WeakPolarHBondContact CB-OG 2.95Å | ||
| 957 | K | 26.4 | Very low | 25.2 | Very low | 199 Ų | 199 | 123 Ų | 123 | 87% | 0.865 | 66% | 0.663 | S | S | * | * | trans | -171.2 | 122.6 | 131.5 | -113.3 | 178 | -177.8 | 179.2 | 0 | 114.6 | ||||
| 958 | S | 25.7 | Very low | 25.3 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | trans | 84.8 | 154 | 134.8 | 74.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 959 | P | 28 | Very low | 25.4 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 75% | 0.753 | 65% | 0.652 | S | S | * | * | trans | -135.6 | 176.9 | -134.6 | 43.9 | -27.9 | 0 | 0 | 0 | 117.1 | ||||
| 960 | P | 38.7 | Very low | 25.7 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 71% | 0.714 | 65% | 0.649 | S | S | * | * | trans | -82.6 | 153.3 | 161.4 | 35.2 | -35.7 | 0 | 0 | 0 | 112.4 | ||||
| 961 | Y | 25.2 | Very low | 25.9 | Very low | 239 Ų | 239 | 120.4 Ų | 120.4 | 94% | 0.937 | 65% | 0.649 | S | S | * | * | trans | -176.2 | -172.9 | 138.7 | -115.9 | -80.3 | 0 | 0 | 0 | 110.5 | ||||
| 962 | A | 24.1 | Very low | 26.5 | Very low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | trans | -110.3 | 156.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 963 | C | 22.6 | Very low | 26.6 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | trans | 76.2 | 159.6 | 164.8 | -75.6 | 0 | 0 | 0 | 0 | 119.7 | R99 | R99-C963 PolarHBondContact NH1-SG 3.2Å; R99-C963 VanDerWaalsContact NH1-SG 3.37Å | ||
| 964 | L | 22.1 | Very low | 26.8 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | trans | 67.6 | 129.9 | -164.6 | -65.2 | 97.7 | 0 | 0 | 0 | 112.3 | ||||
| 965 | D | 21.1 | Very low | 26.8 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 42% | 0.417 | 69% | 0.693 | S | S | . | * | cis | 84.1 | 121.2 | 38.1 | -55.8 | -11.7 | 0 | 0 | 0 | 112.7 | R99 | R99-D965 IonicContact CZ-OD1 2.7Å; R99-D965 IonicContact NE-OD1 2.62Å; R99-D965 PolarHBondContact NE-OD1 3.29Å; R99-D965 VanDerWaalsContact NE-OD1 3.15Å; R99-D965 IonicContact NH2-OD1 3.48Å; R99-D965 PolarHBondContact NH2-OD1 3.03Å; R99-D965 IonicContact NH2-OD2 3.25Å | ||
| 966 | V | 24.2 | Very low | 26.7 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 69% | 0.692 | S | S | * | * | trans | 84 | 104.5 | 146.1 | 168.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 967 | I | 24.5 | Very low | 26.6 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | 69.8 | 140.5 | 127.6 | -64.7 | -174 | 0 | 0 | 0 | 117.4 | |||||
| 968 | H | 26.9 | Very low | 26.5 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | cis | -140.9 | 156.9 | 9.6 | -120.6 | -26.9 | 0 | 0 | 0 | 109.4 | ||||
| 969 | N | 26.3 | Very low | 26.4 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | 54.9 | 153.4 | 92.4 | -78.2 | 60.5 | 0 | 0 | 0 | 116.8 | |||||
| 970 | D | 27.8 | Very low | 26.3 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | cis | -115 | 167.6 | 0.8 | -70 | -74.1 | 0 | 0 | 0 | 110.5 | ||||
| 971 | N | 28.2 | Very low | 25.6 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | cis | 65.2 | 161.4 | 36.5 | -115.4 | 56.3 | 0 | 0 | 0 | 113.8 | ||||
| 972 | P | 38.4 | Very low | 25.8 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | cis | -62.9 | -170.2 | -3.9 | -23.6 | 38.5 | 0 | 0 | 0 | 115.8 | ||||
| 973 | D | 26.6 | Very low | 25.9 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | cis | -117.8 | -172.7 | 36.1 | -62.6 | -51.3 | 0 | 0 | 0 | 116.1 | ||||
| 974 | E | 27.1 | Very low | 26.1 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | trans | -160.6 | 175.5 | -160.7 | -170.2 | 175.9 | -114.2 | 0 | 0 | 111.2 | ||||
| 975 | W | 26.5 | Very low | 26.4 | Very low | 206 Ų | 206 | 131 Ų | 131 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | trans | 73.6 | 131.3 | 172.6 | -52.5 | 79.4 | 0 | 0 | 0 | 118.7 | ||||
| 976 | D | 24.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | cis | -162.5 | 166.4 | -19.2 | -149.3 | 0.6 | 0 | 0 | 0 | 113.9 | ||||
| 977 | L | 23 | Very low | 26.7 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | trans | 47.9 | 137.4 | 155.5 | -72.1 | 162.5 | 0 | 0 | 0 | 122.9 | V979 | L977-V979 HydrophobicContact CD2-CG2 4.24Š| ||
| 978 | G | 25.5 | Very low | 26.7 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -172.4 | 72.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 979 | V | 23.9 | Very low | 26.7 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | -82 | 120.3 | -162.2 | 168.8 | 0 | 0 | 0 | 0 | 115.7 | L977 | L977-V979 HydrophobicContact CD2-CG2 4.24Š| ||
| 980 | A | 24.2 | Very low | 26.7 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | trans | 58.8 | 175.1 | 136.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 981 | D | 25.3 | Very low | 26.6 | Very low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | trans | 51.5 | 129.2 | 162.2 | -52.1 | -20 | 0 | 0 | 0 | 118.9 | ||||
| 982 | R | 29.9 | Very low | 26.4 | Very low | 229 Ų | 229 | 131 Ų | 131 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | -154 | 133.8 | 54 | -89.1 | -176.9 | 177 | 171.7 | 0.6 | 114.7 | |||||
| 983 | D | 26.2 | Very low | 25.7 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | 44.7 | 148.2 | 99.6 | -65.3 | 2.8 | 0 | 0 | 0 | 121.5 | |||||
| 984 | L | 26.5 | Very low | 25.7 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 63% | 0.634 | 72% | 0.716 | S | S | * | * | cis | -164.1 | -167.5 | -14.3 | -110.7 | 171.5 | 0 | 0 | 0 | 108.1 | ||||
| 985 | L | 27.1 | Very low | 25.8 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | trans | 3 | 145.3 | 141.2 | -57.4 | 161.9 | 0 | 0 | 0 | 117.7 | ||||
| 986 | A | 29.1 | Very low | 25.6 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | cis | -152.8 | 142.7 | 32.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 987 | A | 22.9 | Very low | 25.9 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | trans | -142.6 | 52.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 988 | D | 25.4 | Very low | 25.9 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | trans | -140.1 | 65.5 | 161.8 | -135.9 | 0.7 | 0 | 0 | 0 | 110.9 | L990 | D988-L990 PolarHBondContact O-N 3.21Š| ||
| 989 | G | 26.8 | Very low | 25.9 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | trans | -66.5 | 74 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 990 | L | 25 | Very low | 26.1 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | -11.4 | 131.7 | 129.4 | -72.3 | 171.8 | 0 | 0 | 0 | 113.1 | D988 | D988-L990 PolarHBondContact O-N 3.21Š| |||
| 991 | L | 25.7 | Very low | 26 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | cis | -146.9 | 174.9 | 5.4 | -69.3 | 108.4 | 0 | 0 | 0 | 110.1 | L993 | L991-L993 HydrophobicContact CB-CD1 4.22Å; L991-L993 HydrophobicContact CB-CG 3.88Å; L991-L993 HydrophobicContact CD1-CD1 3.94Å; L991-L993 HydrophobicContact CD1-CD2 4.29Å; L991-L993 HydrophobicContact CD1-CG 3.97Å; L991-L993 HydrophobicContact CD2-CD2 4.14Å; L991-L993 HydrophobicContact CD2-CG 4.01Å; L991-L993 HydrophobicContact CG-CG 4.15Å | ||
| 992 | Y | 24.4 | Very low | 26.1 | Very low | 188 Ų | 188 | 120.4 Ų | 120.4 | 74% | 0.737 | 66% | 0.659 | S | S | * | * | -106.2 | 106.2 | 126.9 | -136.7 | -91.8 | 0 | 0 | 0 | 106.8 | |||||
| 993 | L | 25.1 | Very low | 26.1 | Very low | 79 Ų | 79 | 116.6 Ų | 116.6 | 41% | 0.414 | 66% | 0.656 | S | S | . | * | trans | -72.5 | 151.7 | 158.6 | -61 | 131.1 | 0 | 0 | 0 | 105.7 | L991 R995 | L991-L993 HydrophobicContact CB-CD1 4.22Å; L991-L993 HydrophobicContact CB-CG 3.88Å; L991-L993 HydrophobicContact CD1-CD1 3.94Å; L991-L993 HydrophobicContact CD1-CD2 4.29Å; L991-L993 HydrophobicContact CD1-CG 3.97Å; L991-L993 HydrophobicContact CD2-CD2 4.14Å; L991-L993 HydrophobicContact CD2-CG 4.01Å; L991-L993 HydrophobicContact CG-CG 4.15Å; L993-R995 VanDerWaalsContact C-N 3.31Å; L993-R995 HydrophobicContact CB-CB 4.03Å; L993-R995 HydrophobicContact CB-CG 3.89Å; L993-R995 HydrophobicContact CD1-CB 4.49Å; L993-R995 HydrophobicContact CD1-CG 3.93Å; L993-R995 HydrophobicContact CD2-CG 4.27Å; L993-R995 HydrophobicContact CG-CG 4.23Å; L993-R995 PolarHBondContact O-N 3.02Å | ||
| 994 | D | 26.6 | Very low | 25.9 | Very low | 143 Ų | 143 | 120.2 Ų | 120.2 | 77% | 0.765 | 66% | 0.661 | S | S | * | * | trans | -76.4 | 103.6 | 136 | -168.2 | -20.9 | 0 | 0 | 0 | 106.2 | S996 | D994-S996 PolarHBondContact OD1-N 2.96Å; D994-S996 PolarHBondContact OD1-OG 3.24Å | ||
| 995 | R | 27.4 | Very low | 25.9 | Very low | 168 Ų | 168 | 119.5 Ų | 119.5 | 63% | 0.634 | 66% | 0.657 | S | S | * | * | trans | -120.9 | 102.4 | 160.7 | -96.4 | -163.2 | -171 | -174.1 | 4.9 | 106.1 | L993 | L993-R995 VanDerWaalsContact C-N 3.31Å; L993-R995 HydrophobicContact CB-CB 4.03Å; L993-R995 HydrophobicContact CB-CG 3.89Å; L993-R995 HydrophobicContact CD1-CB 4.49Å; L993-R995 HydrophobicContact CD1-CG 3.93Å; L993-R995 HydrophobicContact CD2-CG 4.27Å; L993-R995 HydrophobicContact CG-CG 4.23Å; L993-R995 PolarHBondContact O-N 3.02Å | ||
| 996 | S | 23.5 | Very low | 25.9 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | trans | -124.4 | 39.5 | 167.4 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | D994 R1071 | D994-S996 PolarHBondContact OD1-N 2.96Å; D994-S996 PolarHBondContact OD1-OG 3.24Å; S996-R1071 PolarHBondContact O-NH1 3.09Å | ||
| 997 | H | 29.6 | Very low | 25.6 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 46% | 0.463 | 65% | 0.65 | S | S | . | * | trans | 60.9 | 171.1 | 132 | -96.9 | -72.5 | 0 | 0 | 0 | 119 | R1071 | H997-R1071 VanDerWaalsContact O-CD 3.27Å; H997-R1071 WeakPolarHBondContact O-CD 3.22Å; H997-R1071 WeakPolarHBondContact O-CG 3.06Å; H997-R1071 PolarHBondContact O-NE 2.67Å; H997-R1071 PolarHBondContact O-NH1 2.87Å; H997-R1071 VanDerWaalsContact O-NH1 3.14Å | ||
| 998 | P | 24.3 | Very low | 25.8 | Very low | 38 Ų | 38 | 123.3 Ų | 123.3 | 25% | 0.247 | 65% | 0.647 | C | S | . | * | -123.9 | 178 | 85.3 | 8.2 | 12.4 | 0 | 0 | 0 | 116 | R1071 M1072 | P998-R1071 HydrophobicContact CG-CB 3.9Å; P998-R1071 HydrophobicContact CG-CG 3.77Å; P998-M1072 HydrophobicContact CB-CB 4.24Å; P998-M1072 HydrophobicContact CB-CE 3.81Å; P998-M1072 HydrophobicContact CB-CG 3.88Å; P998-M1072 HydrophobicContact CB-SD 3.53Å; P998-M1072 VanDerWaalsContact CB-SD 3.53Å; P998-M1072 HydrophobicContact CG-CB 3.64Å; P998-M1072 HydrophobicContact CG-CG 3.83Å; P998-M1072 HydrophobicContact CG-SD 3.94Å | |||
| 999 | E | 24.4 | Very low | 25.8 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 52% | 0.519 | 64% | 0.643 | S | S | . | * | trans | -52.2 | 161.6 | 154.5 | -40.2 | 93.8 | -91.8 | 0 | 0 | 113.5 | R1071 M1072 | E999-R1071 IonicContact OE1-NH2 2.59Å; E999-R1071 PolarHBondContact OE1-NH2 3.26Å; E999-M1072 WeakPolarHBondContact OE2-CE 3.45Å | ||
| 1000 | S | 29.3 | Very low | 25.7 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | cis | -138.6 | 152.8 | 10.4 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1001 | L | 22.1 | Very low | 25.6 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | cis | 76.2 | 31 | 17.1 | -119.5 | 177 | 0 | 0 | 0 | 117.2 | ||||
| 1002 | S | 27.1 | Very low | 25.8 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | trans | -137 | 138.1 | 137.6 | -160.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1003 | D | 29.4 | Very low | 25.8 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 80% | 0.802 | 67% | 0.665 | S | S | * | * | cis | -108.9 | 152.8 | 24.1 | -59 | -43.8 | 0 | 0 | 0 | 116.3 | ||||
| 1004 | R | 23.1 | Very low | 25.8 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | trans | -116.9 | 154.7 | 160 | -66.1 | 165.2 | 52.4 | -158.9 | -6.7 | 106.2 | ||||
| 1005 | I | 24.9 | Very low | 25.7 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 55% | 0.549 | 68% | 0.683 | S | S | . | * | trans | 71 | 139.8 | 169.3 | -59.4 | 147.8 | 0 | 0 | 0 | 110.5 | E1007 | I1005-E1007 HydrophobicContact CG2-CB 3.84Å; I1005-E1007 VanDerWaalsContact CG2-CD 3.48Å; I1005-E1007 HydrophobicContact CG2-CG 3.59Å | ||
| 1006 | S | 27.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | cis | -65 | 149.9 | 24 | -30 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1007 | E | 24.2 | Very low | 25.7 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 60% | 0.603 | 70% | 0.695 | S | S | * | * | cis | 60.9 | 147 | 31.1 | -75.8 | 172.1 | -175.5 | 0 | 0 | 113.8 | I1005 | I1005-E1007 HydrophobicContact CG2-CB 3.84Å; I1005-E1007 VanDerWaalsContact CG2-CD 3.48Å; I1005-E1007 HydrophobicContact CG2-CG 3.59Å | ||
| 1008 | F | 25.1 | Very low | 25.7 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 79% | 0.789 | 71% | 0.708 | S | S | * | * | cis | -133.1 | 166.5 | -13.4 | -109.9 | -60.5 | 0 | 0 | 0 | 106.4 | ||||
| 1009 | G | 27.1 | Very low | 25.9 | Very low | 65 Ų | 65 | 136.4 Ų | 136.4 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | 121 | 146.1 | 82.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1010 | F | 22.9 | Very low | 25.9 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | -101.9 | 145.9 | -175.5 | -93.7 | -115.2 | 0 | 0 | 0 | 112.5 | ||||
| 1011 | R | 23.9 | Very low | 25.9 | Very low | 224 Ų | 224 | 141.4 Ų | 141.4 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 46.1 | 130.1 | 151.1 | -67.7 | 178.5 | 170.5 | 177.5 | -3 | 119.6 | ||||
| 1012 | I | 29.1 | Very low | 26.2 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | -165.9 | 161.4 | 100.3 | -99.4 | 165.3 | 0 | 0 | 0 | 109.9 | |||||
| 1013 | H | 24.3 | Very low | 26.3 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -76.9 | 152.4 | -178.7 | -77.1 | -109.8 | 0 | 0 | 0 | 114 | ||||
| 1014 | G | 26.1 | Very low | 26.2 | Very low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | 120.3 | 119.7 | 131 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1015 | S | 23.6 | Very low | 26.3 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 36.9 | 129.7 | 146.7 | 58.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1016 | S | 24.5 | Very low | 26.6 | Very low | 86 Ų | 86 | 145 Ų | 145 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | -153.5 | 178.5 | 56.7 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1017 | E | 28 | Very low | 26.8 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 53.6 | 113.8 | 148.9 | -67.9 | 141.3 | 166.1 | 0 | 0 | 118.6 | ||||
| 1018 | G | 28.5 | Very low | 27.1 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | -173.1 | 172.3 | 1.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1019 | E | 29 | Very low | 28.1 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | 54.2 | 109.3 | 167.1 | -68.6 | 172.3 | 164.9 | 0 | 0 | 117.4 | ||||
| 1020 | E | 23.7 | Very low | 28.5 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -45.4 | 144.3 | 152.4 | -58.2 | 157.3 | 136.5 | 0 | 0 | 110.2 | ||||
| 1021 | D | 29.7 | Very low | 29.6 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | 179.5 | 124.7 | 115.6 | -91.8 | -16 | 0 | 0 | 0 | 114.6 | |||||
| 1022 | L | 29.1 | Very low | 29.8 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | 68.4 | 148.8 | 124.4 | -60.9 | 170.1 | 0 | 0 | 0 | 124.7 | |||||
| 1023 | E | 28.8 | Very low | 29.8 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 84.2 | 104.6 | 140.6 | -79.8 | 157.7 | -142 | 0 | 0 | 121.7 | ||||
| 1024 | D | 27.2 | Very low | 29.9 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -59 | -175.3 | 162.4 | -52.5 | -85.8 | 0 | 0 | 0 | 117.1 | ||||
| 1025 | E | 25.6 | Very low | 30.3 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 86.8 | 163.8 | 158.1 | -51.5 | -142.9 | 121.6 | 0 | 0 | 121.3 | ||||
| 1026 | D | 31.5 | Very low | 30.4 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 76.4 | 88.3 | 167.6 | -63.7 | -10.5 | 0 | 0 | 0 | 122.9 | ||||
| 1027 | D | 30 | Very low | 30.6 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | 49.8 | 130.2 | 115.7 | -72.5 | 6 | 0 | 0 | 0 | 124.8 | |||||
| 1028 | D | 32.3 | Very low | 31 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | 32 | 162.4 | 132.2 | -96.7 | 6.3 | 0 | 0 | 0 | 123.3 | ||||
| 1029 | P | 44.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | cis | -136.4 | 167.8 | -30.5 | 38.7 | -23.4 | 0 | 0 | 0 | 113.5 | ||||
| 1030 | D | 37.5 | Very low | 31.6 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 92% | 0.92 | 70% | 0.7 | S | S | * | * | trans | -163.1 | 134.1 | 152 | -121.5 | -22.3 | 0 | 0 | 0 | 112.7 | ||||
| 1031 | D | 45.1 | Very low | 31.9 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | -141.2 | 154 | 178.4 | -174.1 | 22.5 | 0 | 0 | 0 | 111.3 | ||||
| 1032 | T | 28 | Very low | 32.3 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | trans | 52.7 | 82 | -160.4 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1033 | G | 28.4 | Very low | 32.3 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | cis | 105.1 | -19.9 | 26.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1035 | G1033-R1035 WeakPolarHBondContact O-CD 3.04Å; G1033-R1035 WeakPolarHBondContact O-CG 3.21Å | ||
| 1034 | I | 26.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 67% | 0.667 | 68% | 0.683 | S | S | * | * | trans | -128.1 | 125.4 | 153.5 | -59.9 | 178.1 | 0 | 0 | 0 | 107.3 | I1038 | I1034-I1038 HydrophobicContact CG2-CG2 4.28Š| ||
| 1035 | R | 34.2 | Very low | 32.6 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 40% | 0.396 | 68% | 0.677 | S | S | . | * | cis | -178.6 | 117.6 | -42.4 | -110.7 | 166.7 | 54.7 | 79.1 | 7.4 | 106.3 | G1033 E1037 I1038 P1041 | G1033-R1035 WeakPolarHBondContact O-CD 3.04Å; G1033-R1035 WeakPolarHBondContact O-CG 3.21Å; R1035-E1037 PolarHBondContact O-N 2.82Å; R1035-I1038 PolarHBondContact NE-O 3.36Å; R1035-I1038 PolarHBondContact NH2-O 2.72Å; R1035-I1038 WeakPolarHBondContact O-CA 3.43Å; R1035-I1038 WeakPolarHBondContact O-CG1 3.41Å; R1035-I1038 PolarHBondContact O-N 3.4Å; R1035-P1041 VanDerWaalsContact NH2-CD 3.3Å | ||
| 1036 | D | 26.6 | Very low | 33 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | 121 | 172.4 | -61.9 | -88.3 | 0 | 0 | 0 | 112.5 | I1038 P1041 | D1036-I1038 VanDerWaalsContact C-N 3.29Å; D1036-P1041 WeakPolarHBondContact O-CG 3.39Å |
| 1037 | E | 28.5 | Very low | 33.1 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 52% | 0.523 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.7 | 33 | -173.6 | 167.6 | 172.3 | 97.5 | 0 | 0 | 111.6 | R1035 I1039 I1040 | R1035-E1037 PolarHBondContact O-N 2.82Å; E1037-I1039 HydrophobicContact CG-CB 4.12Å; E1037-I1039 HydrophobicContact CG-CG2 3.77Å; E1037-I1039 CarbonylContact O-C 3.21Å; E1037-I1039 VanDerWaalsContact O-CA 3.29Å; E1037-I1039 WeakPolarHBondContact O-CA 3.43Å; E1037-I1039 VanDerWaalsContact O-CB 3.29Å; E1037-I1039 WeakPolarHBondContact O-CB 3.33Å; E1037-I1039 PolarHBondContact O-N 3.18Å; E1037-I1039 WeakPolarHBondContact OE2-CD1 3.43Å; E1037-I1040 CarbonylContact O-C 3.07Å; E1037-I1040 WeakPolarHBondContact O-CA 3.12Å; E1037-I1040 PolarHBondContact O-N 3.47Å |
| 1038 | I | 36.4 | Very low | 33.3 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 44% | 0.441 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 20.1 | -105.5 | 170.1 | -43.1 | 178.2 | 0 | 0 | 0 | 117.3 | I1034 R1035 D1036 I1040 | I1034-I1038 HydrophobicContact CG2-CG2 4.28Å; R1035-I1038 PolarHBondContact NE-O 3.36Å; R1035-I1038 PolarHBondContact NH2-O 2.72Å; R1035-I1038 WeakPolarHBondContact O-CA 3.43Å; R1035-I1038 WeakPolarHBondContact O-CG1 3.41Å; R1035-I1038 PolarHBondContact O-N 3.4Å; D1036-I1038 VanDerWaalsContact C-N 3.29Å; I1038-I1040 PolarHBondContact O-N 3.43Å |
| 1039 | I | 33.6 | Very low | 33 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 59% | 0.59 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | 62.6 | -28.8 | 86.7 | -74.4 | 166.7 | 0 | 0 | 0 | 115.4 | E1037 | E1037-I1039 HydrophobicContact CG-CB 4.12Å; E1037-I1039 HydrophobicContact CG-CG2 3.77Å; E1037-I1039 CarbonylContact O-C 3.21Å; E1037-I1039 VanDerWaalsContact O-CA 3.29Å; E1037-I1039 WeakPolarHBondContact O-CA 3.43Å; E1037-I1039 VanDerWaalsContact O-CB 3.29Å; E1037-I1039 WeakPolarHBondContact O-CB 3.33Å; E1037-I1039 PolarHBondContact O-N 3.18Å; E1037-I1039 WeakPolarHBondContact OE2-CD1 3.43Å | |
| 1040 | I | 36.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 54% | 0.544 | 64% | 0.636 | S | S | . | * | trans | 83.2 | 112.1 | -167.6 | -68 | 64.9 | 0 | 0 | 0 | 111.4 | E1037 I1038 N1042 | E1037-I1040 CarbonylContact O-C 3.07Å; E1037-I1040 WeakPolarHBondContact O-CA 3.12Å; E1037-I1040 PolarHBondContact O-N 3.47Å; I1038-I1040 PolarHBondContact O-N 3.43Å; I1040-N1042 VanDerWaalsContact O-CG 3.31Å; I1040-N1042 PolarHBondContact O-ND2 3.48Å; I1040-N1042 PolarHBondContact O-OD1 3.37Å | ||
| 1041 | P | 29.3 | Very low | 32.4 | Very low | 70 Ų | 70 | 111.3 Ų | 111.3 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | trans | -79.2 | 159.2 | 161.4 | 34.7 | -34.4 | 0 | 0 | 0 | 110.6 | R1035 D1036 | R1035-P1041 VanDerWaalsContact NH2-CD 3.3Å; D1036-P1041 WeakPolarHBondContact O-CG 3.39Å | ||
| 1042 | N | 37.7 | Very low | 31.8 | Very low | 116 Ų | 116 | 108.9 Ų | 108.9 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | trans | -137.4 | 141.8 | -140.6 | -61.3 | -67.7 | 0 | 0 | 0 | 114.2 | I1040 | I1040-N1042 VanDerWaalsContact O-CG 3.31Å; I1040-N1042 PolarHBondContact O-ND2 3.48Å; I1040-N1042 PolarHBondContact O-OD1 3.37Å | ||
| 1043 | D | 30.9 | Very low | 31.7 | Very low | 153 Ų | 153 | 109.1 Ų | 109.1 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | trans | 58.7 | 171.7 | 172.3 | -65.5 | -37.4 | 0 | 0 | 0 | 113.4 | ||||
| 1044 | L | 31.6 | Very low | 31.5 | Very low | 143 Ų | 143 | 113 Ų | 113 | 75% | 0.749 | 60% | 0.596 | S | S | * | * | cis | -151 | 163.3 | -29.3 | -110.2 | 171.3 | 0 | 0 | 0 | 104.3 | ||||
| 1045 | S | 30.6 | Very low | 31.9 | Very low | 96 Ų | 96 | 113.8 Ų | 113.8 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | cis | -160.2 | 179.9 | 22.1 | 74.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1046 | N | 34.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | cis | -152.4 | 149 | 0.8 | -136.3 | -16.3 | 0 | 0 | 0 | 111.7 | ||||
| 1047 | I | 32.1 | Very low | 32 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | trans | 70.1 | 101.4 | 157 | -56.8 | 157.6 | 0 | 0 | 0 | 118.2 | ||||
| 1048 | N | 34.6 | Very low | 32.4 | Very low | 87 Ų | 87 | 114 Ų | 114 | 47% | 0.465 | 63% | 0.627 | S | S | . | * | trans | 52.3 | 119.8 | 148.3 | -49.2 | -2 | 0 | 0 | 0 | 121 | P1085 | N1048-P1085 HydrophobicContact CB-CG 3.86Å; N1048-P1085 WeakPolarHBondContact OD1-CD 3.45Å | ||
| 1049 | M | 27.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 69% | 0.69 | 64% | 0.637 | S | S | * | * | cis | 80.2 | 154.2 | 0.7 | -44.3 | -171 | -164.7 | 0 | 0 | 119.7 | P1085 | M1049-P1085 VanDerWaalsContact C-CG 3.48Å; M1049-P1085 HydrophobicContact CB-CB 4.34Å; M1049-P1085 HydrophobicContact CB-CG 4.03Å; M1049-P1085 VanDerWaalsContact CB-O 3.23Å; M1049-P1085 WeakPolarHBondContact CB-O 3.34Å; M1049-P1085 WeakPolarHBondContact O-CB 3.21Å; M1049-P1085 WeakPolarHBondContact O-CG 3.27Å | ||
| 1050 | M | 33.6 | Very low | 32.6 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 60% | 0.596 | 64% | 0.642 | S | S | * | * | trans | -165.5 | 144.5 | 171.7 | -166 | 69.6 | -170.5 | 0 | 0 | 108.4 | L1052 S1086 T1087 | M1050-L1052 HydrophobicContact CE-CD1 3.89Å; M1050-L1052 HydrophobicContact CE-CG 4.25Å; M1050-S1086 CarbonylContact O-C 3.52Å; M1050-T1087 PolarHBondContact O-N 3.44Å; M1050-T1087 PolarHBondContact O-OG1 3.49Å | ||
| 1051 | N | 33.4 | Very low | 32.4 | Very low | 44 Ų | 44 | 117.7 Ų | 117.7 | 24% | 0.235 | 65% | 0.654 | C | S | . | * | cis | 125.9 | 144.8 | -18.2 | -159.9 | 21.7 | 0 | 0 | 0 | 115 | I1084 P1085 S1086 T1087 | N1051-I1084 PolarHBondContact ND2-O 2.76Å; N1051-I1084 VanDerWaalsContact ND2-O 3.17Å; N1051-P1085 HydrophobicContact CB-CB 3.37Å; N1051-S1086 WeakPolarHBondContact CA-O 3.19Å; N1051-S1086 VanDerWaalsContact N-C 3.28Å; N1051-S1086 PolarHBondContact N-O 2.92Å; N1051-T1087 PolarHBondContact N-OG1 2.79Å | ||
| 1052 | L | 32.7 | Very low | 32.5 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 49% | 0.492 | 67% | 0.666 | S | S | . | * | trans | 62.9 | 138.4 | -178.4 | -51.1 | 173.4 | 0 | 0 | 0 | 113.5 | M1050 Q1054 | M1050-L1052 HydrophobicContact CE-CD1 3.89Å; M1050-L1052 HydrophobicContact CE-CG 4.25Å; L1052-Q1054 WeakPolarHBondContact CB-O 3.36Å; L1052-Q1054 HydrophobicContact CD2-CB 3.65Å | ||
| 1053 | C | 26.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 89% | 0.885 | 68% | 0.677 | S | S | * | * | cis | 49.7 | 34.8 | -20.5 | -74.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1054 | Q | 23.3 | Very low | 31.7 | Very low | 145 Ų | 145 | 116.2 Ų | 116.2 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | trans | -166.4 | 116 | 151.8 | -113 | 168 | 56.9 | 0 | 0 | 106.1 | L1052 | L1052-Q1054 WeakPolarHBondContact CB-O 3.36Å; L1052-Q1054 HydrophobicContact CD2-CB 3.65Å | ||
| 1055 | L | 36.4 | Very low | 31.3 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | 34.5 | 113.6 | 71.5 | -76 | 172.8 | 0 | 0 | 0 | 111.5 | |||||
| 1056 | P | 27.3 | Very low | 30.9 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | -123.6 | 151.6 | 65.6 | 37.3 | -32.1 | 0 | 0 | 0 | 115.5 | |||||
| 1057 | S | 35.3 | Very low | 30.8 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | trans | 67.9 | 138.4 | 163.3 | 74.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1058 | N | 37.1 | Very low | 30.4 | Very low | 143 Ų | 143 | 115.9 Ų | 115.9 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | cis | -152.7 | 155.3 | -9.3 | -125.1 | -4.3 | 0 | 0 | 0 | 114.4 | ||||
| 1059 | T | 37.2 | Very low | 29.8 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 64% | 0.638 | 69% | 0.691 | S | S | * | * | trans | 56.6 | 96.8 | 153.9 | 52.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1060 | N | 35.4 | Very low | 29.6 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | 73.9 | 119.7 | 108.3 | -66.5 | 7.7 | 0 | 0 | 0 | 122.5 | |||||
| 1061 | N | 34.2 | Very low | 29.1 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | 78.2 | 141.9 | 123.7 | -59.4 | 0.6 | 0 | 0 | 0 | 121.4 | |||||
| 1062 | G | 30.8 | Very low | 28.6 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | 84.9 | 157.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1063 | E | 26.2 | Very low | 28.4 | Very low | 182 Ų | 182 | 118.7 Ų | 118.7 | 85% | 0.85 | 69% | 0.691 | S | S | * | * | cis | -146.4 | -166.8 | -22.2 | -138.7 | 160.4 | -137.1 | 0 | 0 | 107.3 | ||||
| 1064 | G | 25.3 | Very low | 28.4 | Very low | 57 Ų | 57 | 119.4 Ų | 119.4 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | 64.7 | 130.8 | 66.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1065 | I | 23.8 | Very low | 28.5 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 80% | 0.795 | 69% | 0.692 | S | S | * | * | trans | 51.7 | 126.7 | 151.3 | 23 | 175.7 | 0 | 0 | 0 | 121.7 | ||||
| 1066 | S | 21.5 | Very low | 28 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | 73.5 | -158.1 | 136.9 | -140.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1067 | P | 32.6 | Very low | 28.1 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | -129.2 | -171.6 | -126.3 | 36.4 | -13.9 | 0 | 0 | 0 | 116.2 | |||||
| 1068 | T | 22.7 | Very low | 27.8 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | 72.9 | 149.5 | 150.1 | 26.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1069 | L | 22.7 | Very low | 27.5 | Very low | 149 Ų | 149 | 119.1 Ų | 119.1 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | trans | 58.6 | 130.3 | 151.7 | -57.8 | 159.8 | 0 | 0 | 0 | 116.9 | ||||
| 1070 | S | 22.5 | Very low | 27.2 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | cis | 77.6 | 136 | 38.8 | 90.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1071 | R | 24.2 | Very low | 26.8 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 47% | 0.468 | 70% | 0.702 | S | S | . | * | trans | 71.6 | 103 | 158.9 | -52.1 | -151.1 | 77.1 | 129 | -12.4 | 120.5 | S996 H997 P998 E999 | S996-R1071 PolarHBondContact O-NH1 3.09Å; H997-R1071 VanDerWaalsContact O-CD 3.27Å; H997-R1071 WeakPolarHBondContact O-CD 3.22Å; H997-R1071 WeakPolarHBondContact O-CG 3.06Å; H997-R1071 PolarHBondContact O-NE 2.67Å; H997-R1071 PolarHBondContact O-NH1 2.87Å; H997-R1071 VanDerWaalsContact O-NH1 3.14Å; P998-R1071 HydrophobicContact CG-CB 3.9Å; P998-R1071 HydrophobicContact CG-CG 3.77Å; E999-R1071 IonicContact OE1-NH2 2.59Å; E999-R1071 PolarHBondContact OE1-NH2 3.26Å | ||
| 1072 | M | 23.7 | Very low | 26.5 | Very low | 92 Ų | 92 | 120 Ų | 120 | 45% | 0.453 | 70% | 0.7 | S | S | . | * | 92.5 | 108.1 | 107.6 | -149.8 | 167.2 | -167.4 | 0 | 0 | 121.8 | P998 E999 | P998-M1072 HydrophobicContact CB-CB 4.24Å; P998-M1072 HydrophobicContact CB-CE 3.81Å; P998-M1072 HydrophobicContact CB-CG 3.88Å; P998-M1072 HydrophobicContact CB-SD 3.53Å; P998-M1072 VanDerWaalsContact CB-SD 3.53Å; P998-M1072 HydrophobicContact CG-CB 3.64Å; P998-M1072 HydrophobicContact CG-CG 3.83Å; P998-M1072 HydrophobicContact CG-SD 3.94Å; E999-M1072 WeakPolarHBondContact OE2-CE 3.45Å | |||
| 1073 | N | 26.6 | Very low | 26.5 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 50% | 0.497 | 70% | 0.696 | S | S | . | * | 54.9 | 144.7 | 129.3 | -51.9 | -5.1 | 0 | 0 | 0 | 124.5 | |||||
| 1074 | N | 27.4 | Very low | 26.9 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 78% | 0.781 | 68% | 0.684 | S | S | * | * | trans | 74.6 | 136.5 | 148.5 | -67 | -11.6 | 0 | 0 | 0 | 118.4 | ||||
| 1075 | M | 26.5 | Very low | 27.3 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 79% | 0.793 | 66% | 0.664 | S | S | * | * | cis | -143.7 | 162.1 | 22.8 | -71.5 | -169.2 | -176.3 | 0 | 0 | 114.8 | ||||
| 1076 | N | 26.1 | Very low | 27.7 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | trans | 31 | 138.1 | 135.4 | -62.9 | -17.8 | 0 | 0 | 0 | 120.3 | ||||
| 1077 | T | 29.1 | Very low | 28 | Very low | 108 Ų | 108 | 113 Ų | 113 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | cis | -170.1 | 151.8 | 37.8 | -0.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1078 | N | 27.8 | Very low | 27.8 | Very low | 160 Ų | 160 | 117 Ų | 117 | 86% | 0.856 | 65% | 0.651 | S | S | * | * | trans | 39.9 | 130.4 | 144.5 | -55.5 | -3.9 | 0 | 0 | 0 | 122.5 | ||||
| 1079 | G | 30.6 | Very low | 28.1 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | trans | 169 | 75 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1080 | N | 31.4 | Very low | 28.5 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | trans | 43.3 | 100.3 | 152.8 | -71.8 | 13.8 | 0 | 0 | 0 | 122.3 | ||||
| 1081 | T | 28.1 | Very low | 28.8 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 69% | 0.693 | 66% | 0.656 | S | S | * | * | 50.8 | 130.4 | 117.5 | 59.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1082 | N | 28 | Very low | 28.8 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | 76.7 | 135 | 153.4 | -59.7 | 13.3 | 0 | 0 | 0 | 116.2 | ||||
| 1083 | D | 30.7 | Very low | 29 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | cis | -139.8 | 133.2 | 12.3 | -93.3 | -44.4 | 0 | 0 | 0 | 114.5 | ||||
| 1084 | I | 33.2 | Very low | 29 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 60% | 0.595 | 70% | 0.696 | S | S | * | * | 55 | 145.3 | 121.9 | -66 | 178 | 0 | 0 | 0 | 120.5 | N1051 | N1051-I1084 PolarHBondContact ND2-O 2.76Å; N1051-I1084 VanDerWaalsContact ND2-O 3.17Å | |||
| 1085 | P | 34.7 | Very low | 28.8 | Very low | 26 Ų | 26 | 123 Ų | 123 | 17% | 0.169 | 70% | 0.696 | C | S | . | * | trans | -149 | 156.1 | -132.7 | 32.8 | -9.1 | 0 | 0 | 0 | 122.4 | N1048 M1049 N1051 | N1048-P1085 HydrophobicContact CB-CG 3.86Å; N1048-P1085 WeakPolarHBondContact OD1-CD 3.45Å; M1049-P1085 VanDerWaalsContact C-CG 3.48Å; M1049-P1085 HydrophobicContact CB-CB 4.34Å; M1049-P1085 HydrophobicContact CB-CG 4.03Å; M1049-P1085 VanDerWaalsContact CB-O 3.23Å; M1049-P1085 WeakPolarHBondContact CB-O 3.34Å; M1049-P1085 WeakPolarHBondContact O-CB 3.21Å; M1049-P1085 WeakPolarHBondContact O-CG 3.27Å; N1051-P1085 HydrophobicContact CB-CB 3.37Å | ||
| 1086 | S | 30.8 | Very low | 28.6 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | trans | -169.2 | 155.6 | 145 | 63.6 | 0 | 0 | 0 | 0 | 115.5 | M1050 N1051 | M1050-S1086 CarbonylContact O-C 3.52Å; N1051-S1086 WeakPolarHBondContact CA-O 3.19Å; N1051-S1086 VanDerWaalsContact N-C 3.28Å; N1051-S1086 PolarHBondContact N-O 2.92Å | ||
| 1087 | T | 28 | Very low | 28.7 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 57% | 0.571 | 70% | 0.701 | S | S | * | * | trans | -155.5 | 148.7 | 159.1 | 32.6 | 0 | 0 | 0 | 0 | 112.3 | M1050 N1051 | M1050-T1087 PolarHBondContact O-N 3.44Å; M1050-T1087 PolarHBondContact O-OG1 3.49Å; N1051-T1087 PolarHBondContact N-OG1 2.79Å | ||
| 1088 | Q | 29.1 | Very low | 28.3 | Very low | 183 Ų | 183 | 122.3 Ų | 122.3 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -131 | -173.2 | -174.9 | -145.4 | -162.5 | 60.6 | 0 | 0 | 112.6 | ||||
| 1089 | K | 28.6 | Very low | 28.2 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | trans | -48.4 | 145.2 | 173.3 | -66.2 | 174.1 | 178 | 172.9 | 0 | 112.7 | ||||
| 1090 | V | 32.1 | Very low | 27.8 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | trans | -128.1 | 122.8 | 140.3 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1091 | S | 28.7 | Very low | 27.5 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 58% | 0.58 | 69% | 0.692 | S | S | * | * | trans | -104.4 | -167.9 | 165.9 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1092 | L | 23.4 | Very low | 27.5 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | trans | 67.4 | 152 | -159.6 | -55.2 | 83.4 | 0 | 0 | 0 | 110 | ||||
| 1093 | S | 28.8 | Very low | 27.5 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | cis | -131.1 | 128.2 | 21.8 | 17.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1094 | T | 25.3 | Very low | 27.3 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | 58.4 | 131.1 | 77.7 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1095 | M | 24 | Very low | 27 | Very low | 158 Ų | 158 | 122 Ų | 122 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -50.4 | 174.8 | 162.6 | -62.9 | -167.5 | 60.4 | 0 | 0 | 114 | ||
| 1096 | E | 22.9 | Very low | 26.5 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | 77.8 | 43 | 158.7 | -69.7 | 164.5 | -156.8 | 0 | 0 | 116.8 | ||||
| 1097 | G | 27.9 | Very low | 26.2 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 160 | 121.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1098 | T | 21.3 | Very low | 26.1 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -82.7 | 169.7 | -9.7 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1099 | N | 24.3 | Very low | 26 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | cis | -148.8 | 163.5 | -7.3 | -125.7 | 1 | 0 | 0 | 0 | 107.9 | ||||
| 1100 | P | 23.6 | Very low | 26 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | trans | -81.1 | -174.8 | 172.2 | 37.9 | -36.8 | 0 | 0 | 0 | 111.6 | ||||
| 1101 | N | 24.4 | Very low | 25.8 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 4.9 | 138.4 | 141.9 | -67.7 | -54.7 | 0 | 0 | 0 | 119 | ||
| 1102 | I | 27.7 | Very low | 26 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 66% | 0.656 | 68% | 0.679 | S | S | * | * | 47.5 | 105.2 | 125.9 | -50.8 | 167.1 | 0 | 0 | 0 | 116.2 | M1104 | I1102-M1104 HydrophobicContact CG2-CB 4.11Å; I1102-M1104 VanDerWaalsContact CG2-O 3.27Å; I1102-M1104 WeakPolarHBondContact CG2-O 3.49Å | |||
| 1103 | Q | 29.1 | Very low | 26.4 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | -132.7 | 145.6 | 105.5 | -76.3 | -149.9 | 28 | 0 | 0 | 110.3 | T1105 | Q1103-T1105 PolarHBondContact OE1-OG1 2.91Š| |||
| 1104 | M | 25.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | cis | 26.3 | 83.8 | -5.6 | -64.7 | -153.9 | 95.6 | 0 | 0 | 115.9 | I1102 N1106 | I1102-M1104 HydrophobicContact CG2-CB 4.11Å; I1102-M1104 VanDerWaalsContact CG2-O 3.27Å; I1102-M1104 WeakPolarHBondContact CG2-O 3.49Å; M1104-N1106 HydrophobicContact CE-CB 4.05Å | ||
| 1105 | T | 26.9 | Very low | 27.2 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 47% | 0.466 | 67% | 0.674 | S | S | . | * | cis | -69.8 | 154.3 | 41.5 | 73.4 | 0 | 0 | 0 | 0 | 116.6 | Q1103 G1107 | Q1103-T1105 PolarHBondContact OE1-OG1 2.91Å; T1105-G1107 VanDerWaalsContact CA-N 3.35Å; T1105-G1107 VanDerWaalsContact CB-N 3.31Å | ||
| 1106 | N | 23.9 | Very low | 27.8 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | cis | 20 | 80.1 | -28 | -83.4 | -62.4 | 0 | 0 | 0 | 116.4 | M1104 | M1104-N1106 HydrophobicContact CE-CB 4.05Š| ||
| 1107 | G | 25.3 | Very low | 28.2 | Very low | 54 Ų | 54 | 119.4 Ų | 119.4 | 56% | 0.557 | 66% | 0.664 | S | S | * | * | trans | 170.7 | 10.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1105 | T1105-G1107 VanDerWaalsContact CA-N 3.35Å; T1105-G1107 VanDerWaalsContact CB-N 3.31Å | ||
| 1108 | N | 26.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | trans | -148.2 | 145.5 | 148.9 | -99.2 | -1.9 | 0 | 0 | 0 | 105.9 | ||||
| 1109 | Q | 27.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 124 Ų | 124 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | cis | 68.5 | 114.8 | 49.4 | -58 | -171.9 | 1.2 | 0 | 0 | 110.8 | L1151 N1152 | Q1109-L1151 CarbonylContact O-C 3.54Å; Q1109-N1152 PolarHBondContact O-N 3.25Å | ||
| 1110 | N | 27.1 | Very low | 28.9 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 47% | 0.465 | 65% | 0.652 | S | S | . | * | 58.3 | 100.1 | 88.5 | -134.9 | 5.5 | 0 | 0 | 0 | 109.9 | L1149 D1150 L1151 | N1110-L1149 VanDerWaalsContact CG-C 3.43Å; N1110-L1149 PolarHBondContact ND2-O 3.46Å; N1110-D1150 VanDerWaalsContact CA-C 3.46Å; N1110-D1150 VanDerWaalsContact CA-O 3.3Å; N1110-D1150 WeakPolarHBondContact CA-O 3.43Å; N1110-D1150 VanDerWaalsContact CB-N 3.35Å; N1110-D1150 PolarHBondContact N-O 2.68Å; N1110-D1150 PolarHBondContact OD1-N 2.91Å; N1110-D1150 VanDerWaalsContact OD1-N 3.15Å; N1110-L1151 VanDerWaalsContact N-C 3.31Å; N1110-L1151 VanDerWaalsContact N-CA 3.34Å | |||
| 1111 | G | 29.2 | Very low | 29 | Very low | 27 Ų | 27 | 122.6 Ų | 122.6 | 28% | 0.278 | 66% | 0.657 | S | S | . | * | trans | -77.7 | 167.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1151 N1152 | G1111-L1151 WeakPolarHBondContact CA-O 3.46Å; G1111-L1151 PolarHBondContact N-O 2.89Å; G1111-N1152 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 1112 | D | 31.8 | Very low | 29 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | trans | -158.5 | 174.5 | 133.4 | -119 | -32.3 | 0 | 0 | 0 | 110.1 | N1152 | D1112-N1152 PolarHBondContact N-ND2 2.79Å; D1112-N1152 PolarHBondContact O-ND2 2.87Å | ||
| 1113 | H | 33.4 | Very low | 28.8 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -66.3 | 141.2 | 173.6 | -128.5 | -79.7 | 0 | 0 | 0 | 111.3 | ||
| 1114 | M | 33.7 | Very low | 28.5 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | trans | 77.4 | 153.4 | 160.5 | -48.6 | -67.4 | -76.4 | 0 | 0 | 120.1 | ||||
| 1115 | D | 36.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | trans | 74 | 94.1 | 146.2 | -64.9 | -9.4 | 0 | 0 | 0 | 124.3 | ||||
| 1116 | L | 35.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 72% | 0.723 | 68% | 0.681 | S | S | * | * | 72.1 | 119.7 | 113 | -67.3 | 167.9 | 0 | 0 | 0 | 122.4 | |||||
| 1117 | L | 32.2 | Very low | 28.1 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | trans | 80.5 | 131.8 | 131.5 | -74.1 | 168.1 | 0 | 0 | 0 | 122.9 | ||||
| 1118 | N | 31.9 | Very low | 28.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | trans | 96.9 | 130.8 | 134.4 | -89.1 | -44.1 | 0 | 0 | 0 | 123.1 | ||||
| 1119 | K | 31.9 | Very low | 28.1 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | trans | 80.7 | 92 | 143.6 | -70.9 | 175.4 | -179.3 | 175.2 | 0 | 122.5 | ||||
| 1120 | S | 24.2 | Very low | 28 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | 46.6 | 137.3 | 101.2 | 73.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1121 | T | 25.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | 80.2 | 138.3 | 137.9 | 53.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1122 | K | 24.7 | Very low | 27.7 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | trans | 81.6 | 121.5 | 133.1 | -83.1 | 174.5 | 172.1 | -179.9 | 0 | 122.2 | ||||
| 1123 | L | 23.3 | Very low | 27.6 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 71% | 0.707 | 73% | 0.728 | S | S | * | * | 67.4 | 144.4 | 121.6 | -67.4 | 171.5 | 0 | 0 | 0 | 123.1 | |||||
| 1124 | N | 23.2 | Very low | 27.5 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | 84.9 | 116.1 | 137.9 | -76.8 | 5.9 | 0 | 0 | 0 | 122.4 | ||||
| 1125 | S | 23.1 | Very low | 27.3 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | 76.5 | 118.6 | 122.1 | -55.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 1126 | T | 21.5 | Very low | 27 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -62.1 | 131.2 | 146.1 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1127 | M | 22.2 | Very low | 26.7 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | trans | -175.1 | 145.8 | 146.2 | -105 | -62 | 176.2 | 0 | 0 | 112 | ||||
| 1128 | I | 27.6 | Very low | 26.6 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | trans | 67.5 | 86.4 | 153.8 | -57.5 | 166.5 | 0 | 0 | 0 | 118.4 | ||||
| 1129 | N | 23.5 | Very low | 26.4 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | 59.3 | 156.8 | 106.4 | -77.5 | -5.7 | 0 | 0 | 0 | 125.2 | |||||
| 1130 | T | 25 | Very low | 26.1 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | 73.8 | 87.8 | 154.1 | 36.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1131 | T | 23.6 | Very low | 26.3 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | 74.3 | 122 | 96.7 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1132 | T | 28.2 | Very low | 26.2 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | -169.7 | 162.2 | 73.8 | 30.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1133 | N | 28.2 | Very low | 26.1 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 44.2 | 118.2 | 146.6 | -55.2 | -5.2 | 0 | 0 | 0 | 118.4 | ||||
| 1134 | N | 32.3 | Very low | 26.1 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | -166.6 | 137.7 | 53.5 | -96.4 | -47.7 | 0 | 0 | 0 | 114.3 | |||||
| 1135 | N | 28.5 | Very low | 26 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 50.3 | 132.2 | 132.1 | -73.3 | -9.3 | 0 | 0 | 0 | 124.5 | ||||
| 1136 | V | 30.2 | Very low | 26.1 | Very low | 114 Ų | 114 | 139 Ų | 139 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 93.3 | 98 | 131.2 | 168.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1137 | N | 29.1 | Very low | 26.2 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | 75.2 | 127.6 | 127 | -61.5 | 6 | 0 | 0 | 0 | 124.3 | |||||
| 1138 | N | 30.2 | Very low | 26.4 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | 93.9 | 118.7 | 128.6 | -77.7 | 8.2 | 0 | 0 | 0 | 123.5 | |||||
| 1139 | H | 29.4 | Very low | 26.4 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | trans | 64.8 | 111 | 135.5 | -62.3 | -37.5 | 0 | 0 | 0 | 121.4 | ||||
| 1140 | N | 25.2 | Very low | 26.5 | Very low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | 25.4 | 100.5 | 113.4 | -57.9 | -1.1 | 0 | 0 | 0 | 117.1 | |||||
| 1141 | N | 28 | Very low | 26.4 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | -163.9 | 168.7 | 116.5 | -116.7 | -61.8 | 0 | 0 | 0 | 116.4 | |||||
| 1142 | R | 24 | Very low | 26.6 | Very low | 212 Ų | 212 | 125.6 Ų | 125.6 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | trans | -35.6 | 145.7 | 170.9 | -73.3 | 168.7 | 153.4 | 171.9 | -5.4 | 118 | ||||
| 1143 | L | 21.5 | Very low | 26.4 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 75% | 0.754 | 64% | 0.638 | S | S | * | * | trans | 69.6 | 153.2 | 134.2 | -77.9 | 164.2 | 0 | 0 | 0 | 120.3 | ||||
| 1144 | I | 23.1 | Very low | 26.3 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | trans | 57.7 | 82.5 | 157.4 | -63.2 | 157.5 | 0 | 0 | 0 | 112.8 | ||||
| 1145 | S | 22.5 | Very low | 26.1 | Very low | 102 Ų | 102 | 121.8 Ų | 121.8 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | 50.3 | 113.9 | 78.4 | 85 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1146 | Q | 23.8 | Very low | 25.9 | Very low | 163 Ų | 163 | 121.4 Ų | 121.4 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | trans | -163.7 | 129.2 | 143.4 | -101.9 | -174.2 | 7.7 | 0 | 0 | 106.7 | ||||
| 1147 | K | 24.1 | Very low | 25.6 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 53% | 0.526 | 62% | 0.622 | S | S | . | * | 86 | 142.8 | 116.8 | -72.1 | 177.6 | 155.8 | -104.9 | 0 | 114 | |||||
| 1148 | E | 26.8 | Very low | 25.3 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | cis | -160.7 | 159.5 | 0.7 | -125.5 | 164.2 | 166.3 | 0 | 0 | 115.6 | ||||
| 1149 | L | 28.5 | Very low | 24.9 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 49% | 0.492 | 63% | 0.628 | S | S | . | * | trans | 66.9 | 162.3 | 150.3 | -62.3 | 173.7 | 0 | 0 | 0 | 121.3 | N1110 N2195 | N1110-L1149 VanDerWaalsContact CG-C 3.43Å; N1110-L1149 PolarHBondContact ND2-O 3.46Å; L1149-N2195 HydrophobicContact CD2-CB 4.49Å | ||
| 1150 | D | 24.5 | Very low | 24.7 | Very low | 39 Ų | 39 | 121.1 Ų | 121.1 | 21% | 0.209 | 64% | 0.635 | C | S | . | * | cis | -175.9 | 93.4 | -39.6 | -148.9 | 33.5 | 0 | 0 | 0 | 110.5 | N1110 S2194 N2195 | N1110-D1150 VanDerWaalsContact CA-C 3.46Å; N1110-D1150 VanDerWaalsContact CA-O 3.3Å; N1110-D1150 WeakPolarHBondContact CA-O 3.43Å; N1110-D1150 VanDerWaalsContact CB-N 3.35Å; N1110-D1150 PolarHBondContact N-O 2.68Å; N1110-D1150 PolarHBondContact OD1-N 2.91Å; N1110-D1150 VanDerWaalsContact OD1-N 3.15Å; D1150-S2194 WeakPolarHBondContact OD2-CB 3.23Å; D1150-S2194 PolarHBondContact OD2-OG 3.46Å; D1150-N2195 PolarHBondContact OD1-ND2 2.82Å; D1150-N2195 PolarHBondContact OD2-ND2 2.81Å | ||
| 1151 | L | 23.3 | Very low | 24.7 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 37% | 0.372 | 63% | 0.631 | S | S | . | * | trans | 42.6 | 146.4 | 167 | -58.7 | 90.2 | 0 | 0 | 0 | 121.9 | Q1109 N1110 G1111 D1153 | Q1109-L1151 CarbonylContact O-C 3.54Å; N1110-L1151 VanDerWaalsContact N-C 3.31Å; N1110-L1151 VanDerWaalsContact N-CA 3.34Å; G1111-L1151 WeakPolarHBondContact CA-O 3.46Å; G1111-L1151 PolarHBondContact N-O 2.89Å; L1151-D1153 WeakPolarHBondContact CD2-OD2 3.5Å | ||
| 1152 | N | 27.6 | Very low | 24.5 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | trans | -124.3 | 99.2 | 135.8 | -126.2 | 8.4 | 0 | 0 | 0 | 106.2 | Q1109 G1111 D1112 | Q1109-N1152 PolarHBondContact O-N 3.25Å; G1111-N1152 WeakPolarHBondContact CA-OD1 3.35Å; D1112-N1152 PolarHBondContact N-ND2 2.79Å; D1112-N1152 PolarHBondContact O-ND2 2.87Å | ||
| 1153 | D | 24.5 | Very low | 24.5 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 47% | 0.471 | 62% | 0.623 | S | S | . | * | trans | -80.4 | -162.1 | 162.1 | -84.9 | -23.1 | 0 | 0 | 0 | 108.7 | L1151 L2192 | L1151-D1153 WeakPolarHBondContact CD2-OD2 3.5Å; D1153-L2192 HydrophobicContact CB-CD1 3.86Å | ||
| 1154 | I | 26.2 | Very low | 24.8 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 54% | 0.544 | 62% | 0.618 | S | S | . | * | trans | 88.6 | 111 | 160.3 | -55.9 | 176.5 | 0 | 0 | 0 | 116.1 | L2192 | I1154-L2192 HydrophobicContact CG1-CD1 3.94Š| ||
| 1155 | V | 28.1 | Very low | 24.9 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 69% | 0.685 | 62% | 0.62 | S | S | * | * | trans | 70.6 | 150.3 | 151.1 | 161.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1156 | N | 24.4 | Very low | 25.2 | Very low | 136 Ų | 136 | 117.6 Ų | 117.6 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | cis | -178.6 | 168 | -43.1 | -132.5 | -38.6 | 0 | 0 | 0 | 108.8 | ||||
| 1157 | S | 22.1 | Very low | 25.4 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | trans | 69.4 | 143.5 | 147.1 | -163.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1158 | T | 22.7 | Very low | 25.5 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 75% | 0.748 | 62% | 0.615 | S | S | * | * | trans | 47.8 | 103.5 | 150.5 | 45.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1159 | A | 22.3 | Very low | 25.4 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 74% | 0.744 | 63% | 0.625 | S | S | * | * | 71.4 | 114.4 | 73.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1160 | Y | 26 | Very low | 25.5 | Very low | 209 Ų | 209 | 120.8 Ų | 120.8 | 82% | 0.82 | 64% | 0.637 | S | S | * | * | -161.4 | 112.5 | 128.3 | -111 | -88.1 | 0 | 0 | 0 | 105.1 | |||||
| 1161 | Q | 24.1 | Very low | 25.6 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | 60.7 | 134.9 | 87 | -117.7 | -174.1 | 19.2 | 0 | 0 | 114.3 | |||||
| 1162 | C | 23.9 | Very low | 26.1 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 72% | 0.716 | 68% | 0.682 | S | S | * | * | trans | 71.7 | 142 | 154.6 | -69.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1163 | N | 25.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | cis | -169.4 | -175 | -15.8 | -148.6 | -21.2 | 0 | 0 | 0 | 110.4 | ||||
| 1164 | I | 28.3 | Very low | 26.4 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 66% | 0.662 | 71% | 0.708 | S | S | * | * | trans | 78.6 | 98.8 | 147.7 | -69.6 | 159.2 | 0 | 0 | 0 | 119 | ||||
| 1165 | L | 24.5 | Very low | 26.5 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | 69.8 | 141 | 124.3 | -84.8 | 62.9 | 0 | 0 | 0 | 124.2 | |||||
| 1166 | F | 28.9 | Very low | 26.6 | Very low | 159 Ų | 159 | 141 Ų | 141 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | trans | 108.5 | 104.8 | 130.3 | -101.5 | -131.3 | 0 | 0 | 0 | 122.8 | ||||
| 1167 | F | 27.1 | Very low | 26.8 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 61% | 0.605 | 72% | 0.715 | S | S | * | * | 86.9 | 109.9 | 120.6 | -97.5 | -121.1 | 0 | 0 | 0 | 123.1 | |||||
| 1168 | F | 26.1 | Very low | 27.1 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | 90.6 | 110.6 | 119.3 | -97 | -136.1 | 0 | 0 | 0 | 123 | |||||
| 1169 | L | 25.2 | Very low | 27.5 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | 90.3 | 148.6 | 122.4 | -88.5 | -170.2 | 0 | 0 | 0 | 123.9 | |||||
| 1170 | L | 31.1 | Very low | 27.9 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | 69.9 | 91.3 | 156.7 | -69.7 | 168.6 | 0 | 0 | 0 | 120.1 | ||||
| 1171 | N | 27 | Very low | 27.9 | Very low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | -1.4 | 130 | 127 | -83.3 | -36.7 | 0 | 0 | 0 | 117.6 | |||||
| 1172 | T | 33.4 | Very low | 28 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | -161.8 | 98.1 | 129.3 | 8.3 | 0 | 0 | 0 | 0 | 110.5 | E1174 | T1172-E1174 PolarHBondContact O-N 2.72Š| |||
| 1173 | R | 28.9 | Very low | 28.2 | Very low | 248 Ų | 248 | 151.3 Ų | 151.3 | 94% | 0.936 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 53.7 | -178.2 | -70.2 | 175.8 | 69.4 | 166.5 | 0.8 | 112.9 | ||
| 1174 | E | 28 | Very low | 28.1 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | -11.7 | -178.9 | -131.6 | 160.8 | -143 | 0 | 0 | 116.6 | T1172 M1176 S1177 | T1172-E1174 PolarHBondContact O-N 2.72Å; E1174-M1176 PolarHBondContact O-N 2.85Å; E1174-S1177 WeakPolarHBondContact O-CB 3.3Å; E1174-S1177 PolarHBondContact O-N 3.39Å |
| 1175 | L | 28.4 | Very low | 27.8 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -9.3 | -174 | -151.7 | 68.7 | 0 | 0 | 0 | 115.7 | ||
| 1176 | M | 30.8 | Very low | 27.8 | Very low | 152 Ų | 152 | 154 Ų | 154 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -5.1 | 169.8 | -73.3 | -66.5 | -78.5 | 0 | 0 | 113.6 | E1174 | E1174-M1176 PolarHBondContact O-N 2.85Š|
| 1177 | S | 28.4 | Very low | 27.5 | Very low | 89 Ų | 89 | 155.6 Ų | 155.6 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -47.2 | 169.2 | -167 | 0 | 0 | 0 | 0 | 110.4 | E1174 L1179 | E1174-S1177 WeakPolarHBondContact O-CB 3.3Å; E1174-S1177 PolarHBondContact O-N 3.39Å; S1177-L1179 VanDerWaalsContact C-N 3.27Å; S1177-L1179 PolarHBondContact O-N 2.92Å |
| 1178 | L | 28.3 | Very low | 27.4 | Very low | 132 Ų | 132 | 159 Ų | 159 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -12.5 | 178.6 | -99 | 71.9 | 0 | 0 | 0 | 114.9 | ||
| 1179 | L | 31 | Very low | 27.4 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 11.1 | -176.6 | -109.3 | 169.2 | 0 | 0 | 0 | 115.4 | S1177 | S1177-L1179 VanDerWaalsContact C-N 3.27Å; S1177-L1179 PolarHBondContact O-N 2.92Å |
| 1180 | R | 32.2 | Very low | 27.4 | Very low | 228 Ų | 228 | 160.3 Ų | 160.3 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -118.2 | -8.8 | 165.7 | -75.8 | -168.6 | 174.1 | -165.3 | -0.2 | 115.3 | ||
| 1181 | Q | 25.6 | Very low | 27.1 | Very low | 169 Ų | 169 | 161.6 Ų | 161.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -143.2 | 68.7 | 176 | -64.9 | -167 | 20.1 | 0 | 0 | 113.7 | ||
| 1182 | L | 26.7 | Very low | 27.2 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 176 | 83.2 | 137.7 | -97.3 | 159.7 | 0 | 0 | 0 | 113.2 | ||||
| 1183 | K | 26.6 | Very low | 26.9 | Very low | 213 Ų | 213 | 156.6 Ų | 156.6 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | trans | -138.9 | 84.6 | 139.4 | -141.7 | 170.1 | -170.3 | 175.3 | 0 | 111.4 | ||||
| 1184 | F | 22.9 | Very low | 26.9 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -67.1 | 169.3 | 168.6 | -148.5 | -107.4 | 0 | 0 | 0 | 110.2 | ||||
| 1185 | A | 23.3 | Very low | 27.1 | Very low | 82 Ų | 82 | 147.3 Ų | 147.3 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 75.5 | 108.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1186 | Q | 23.7 | Very low | 27.2 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | 42 | 132.4 | 136.3 | -71.6 | 175.9 | -35.1 | 0 | 0 | 122.6 | ||||
| 1187 | K | 23.2 | Very low | 27.2 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -85 | 106.9 | 165.2 | 177.9 | -172.5 | -177.6 | -179.3 | 0 | 111.3 | ||||
| 1188 | F | 25.1 | Very low | 27.5 | Very low | 208 Ų | 208 | 147 Ų | 147 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | -152.4 | 138.3 | 146 | -89.4 | -71.8 | 0 | 0 | 0 | 108.1 | ||||
| 1189 | A | 24.9 | Very low | 27.6 | Very low | 72 Ų | 72 | 146.8 Ų | 146.8 | 60% | 0.595 | 78% | 0.78 | S | S | * | * | cis | -136.2 | 153.8 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1190 | W | 26.5 | Very low | 27.6 | Very low | 228 Ų | 228 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -93.2 | 129.2 | 144.2 | -118.2 | 53.5 | 0 | 0 | 0 | 105.9 | ||||
| 1191 | L | 25.3 | Very low | 27.5 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -115.6 | 63.2 | 178.3 | -129.9 | 175.2 | 0 | 0 | 0 | 109.9 | ||||
| 1192 | S | 29.1 | Very low | 27.6 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -146.2 | 141.5 | 173.1 | -70.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1193 | G | 25.8 | Very low | 27.6 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | -84.1 | -169.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1194 | A | 30.1 | Very low | 27.6 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 82.2 | 100 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1195 | S | 31 | Very low | 27.7 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | 29.2 | 143.9 | 119.2 | 64 | 0 | 0 | 0 | 0 | 120 | |||||
| 1196 | V | 31.4 | Very low | 27.8 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | -145.7 | 114.6 | 35.4 | 164.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1197 | L | 31.2 | Very low | 27.9 | Very low | 151 Ų | 151 | 127 Ų | 127 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 81.3 | 142.9 | 99.9 | -96.1 | 98.1 | 0 | 0 | 0 | 116 | |||||
| 1198 | P | 34.4 | Very low | 28 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | -154.4 | -160.3 | -107.3 | 43.1 | -19.8 | 0 | 0 | 0 | 117.6 | |||||
| 1199 | T | 30.6 | Very low | 28 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 73 | 114.7 | 146.1 | 45.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1200 | G | 29.3 | Very low | 28.2 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | 147.6 | 124 | 128.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1201 | L | 30.3 | Very low | 28.2 | Very low | 149 Ų | 149 | 120.5 Ų | 120.5 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | cis | -158.4 | 154.4 | -20.3 | -150.7 | 77.4 | 0 | 0 | 0 | 110.6 | ||||
| 1202 | S | 28.8 | Very low | 28.2 | Very low | 91 Ų | 91 | 118.9 Ų | 118.9 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | 38 | 126.8 | 152.3 | 52.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1203 | A | 25.6 | Very low | 28.1 | Very low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | 64.1 | 149.1 | 50.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1204 | L | 27.2 | Very low | 28.1 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | cis | -125.5 | 176.1 | 7.9 | -60.8 | 81.1 | 0 | 0 | 0 | 108.4 | ||||
| 1205 | T | 24.1 | Very low | 27.8 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | cis | 70.9 | 147.1 | 20.7 | 87.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1206 | N | 25.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | cis | -159.3 | -165.4 | -0.8 | -154.1 | -21.9 | 0 | 0 | 0 | 108.6 | ||||
| 1207 | I | 26.6 | Very low | 27.4 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | 73.2 | 135.2 | 149 | -77.4 | 161.3 | 0 | 0 | 0 | 117.3 | ||||
| 1208 | Q | 24.7 | Very low | 27.2 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | cis | -166.5 | 142.4 | -12.6 | -134.6 | 175.3 | -16.1 | 0 | 0 | 113.7 | ||||
| 1209 | S | 24.7 | Very low | 26.8 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | trans | 65.9 | 154.9 | 138 | 69.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1210 | N | 30.7 | Very low | 26.8 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | 71.1 | 110.4 | 160.9 | -58.1 | -24.3 | 0 | 0 | 0 | 116.9 | ||||
| 1211 | K | 27 | Very low | 26.7 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | cis | 94.5 | 130.7 | 29.4 | -167.2 | -168 | 178.3 | -176.4 | 0 | 112.7 | ||||
| 1212 | L | 25.3 | Very low | 26.7 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 71% | 0.707 | 71% | 0.711 | S | S | * | * | trans | 86.6 | 121.3 | 171.2 | -69.7 | 134.9 | 0 | 0 | 0 | 119.2 | ||||
| 1213 | T | 26 | Very low | 26.5 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | trans | 65 | 106 | 136.6 | 55 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1214 | N | 25.1 | Very low | 26.8 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | 59.6 | 141.9 | 110.4 | -83.8 | 37.3 | 0 | 0 | 0 | 122.6 | |||||
| 1215 | N | 25.3 | Very low | 26.9 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | 85 | 118.2 | 149 | -69 | 12 | 0 | 0 | 0 | 118.6 | ||||
| 1216 | N | 27.4 | Very low | 27.2 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | trans | 77 | 103.3 | 139.4 | -57.3 | 3.2 | 0 | 0 | 0 | 117.8 | ||||
| 1217 | N | 25.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | 75.8 | 147.1 | 120.4 | -73.2 | 31.1 | 0 | 0 | 0 | 120.3 | |||||
| 1218 | D | 26.9 | Very low | 27.3 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | trans | 59.3 | 110.7 | 150.6 | -49.2 | -19 | 0 | 0 | 0 | 117.8 | ||||
| 1219 | D | 25.5 | Very low | 27.7 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | 28.4 | 110.1 | 124.4 | -60.9 | -14.1 | 0 | 0 | 0 | 117.3 | |||||
| 1220 | L | 32.4 | Very low | 27.8 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | -161.5 | 117.8 | 99.3 | -84.7 | 140.5 | 0 | 0 | 0 | 107 | |||||
| 1221 | N | 26 | Very low | 27.8 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 60% | 0.599 | 73% | 0.733 | S | S | * | * | 73.1 | 137.6 | 55.5 | -168.7 | 22.4 | 0 | 0 | 0 | 113 | |||||
| 1222 | H | 30.3 | Very low | 28 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | trans | 71.5 | 153.6 | 173.9 | -60.8 | -24.6 | 0 | 0 | 0 | 118.9 | ||||
| 1223 | N | 25.7 | Very low | 28.3 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | cis | -172.8 | 147.3 | -43.3 | -110 | -17.3 | 0 | 0 | 0 | 108.6 | ||||
| 1224 | G | 31.9 | Very low | 28.4 | Very low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | 166.7 | 69.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1225 | Q | 28 | Very low | 28.5 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | 58.5 | 113.5 | 89.4 | -63.9 | -170.9 | -5 | 0 | 0 | 114.7 | |||||
| 1226 | S | 31.1 | Very low | 28.6 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | -173.7 | 100.9 | 103.3 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1227 | L | 27.8 | Very low | 28.6 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | -172.7 | 100.9 | 106.5 | -103.2 | 169.5 | 0 | 0 | 0 | 109.7 | |||||
| 1228 | T | 26.8 | Very low | 28.8 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 64% | 0.644 | 73% | 0.728 | S | S | * | * | trans | -119.1 | 130.1 | -178 | 46.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1229 | N | 31.6 | Very low | 28.8 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | trans | -168.3 | 109.7 | 156.7 | -85.9 | -31.7 | 0 | 0 | 0 | 105.5 | ||||
| 1230 | G | 28.6 | Very low | 29 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | cis | 89.1 | 121.3 | 6.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1231 | I | 30 | Very low | 28.9 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | trans | 176.1 | 116.5 | 149.1 | -97.7 | 160.2 | 0 | 0 | 0 | 112.6 | ||||
| 1232 | I | 31.6 | Very low | 28.9 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | 85.3 | 118.4 | 139.1 | -71 | -177.8 | 0 | 0 | 0 | 123.4 | ||||
| 1233 | N | 31.7 | Very low | 28.7 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | trans | 77.5 | 101.2 | 142.2 | -69.4 | 14.2 | 0 | 0 | 0 | 125.6 | ||||
| 1234 | E | 26.6 | Very low | 28.8 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | 67.6 | 132.8 | 107.5 | -69.6 | -159.1 | 129.8 | 0 | 0 | 124.1 | |||||
| 1235 | K | 27.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | trans | 100.6 | 122 | 131.4 | -87.6 | 163.9 | -174.5 | 144.7 | 0 | 121.9 | ||||
| 1236 | Y | 27.8 | Very low | 28.3 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | 73.3 | 105.7 | 156.7 | -70.5 | -66.7 | 0 | 0 | 0 | 121.8 | ||||
| 1237 | T | 27.4 | Very low | 28.1 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | 34.2 | 135.8 | 127.1 | 59.5 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1238 | N | 29.4 | Very low | 28 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 83% | 0.834 | 67% | 0.673 | S | S | * | * | cis | -141.7 | 155.3 | 36.1 | -145.6 | 19.4 | 0 | 0 | 0 | 112.4 | ||||
| 1239 | I | 27.8 | Very low | 28 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | trans | -123.7 | 123.9 | -173 | -62.6 | 172.8 | 0 | 0 | 0 | 110 | T1241 | I1239-T1241 HydrophobicContact CG2-CG2 3.84Š| ||
| 1240 | D | 29.7 | Very low | 27.7 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 84% | 0.84 | 65% | 0.654 | S | S | * | * | trans | -145.4 | 149.5 | 138.9 | -134.6 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 1241 | T | 29.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | trans | -103 | 115.4 | -136.3 | 30.3 | 0 | 0 | 0 | 0 | 118 | I1239 | I1239-T1241 HydrophobicContact CG2-CG2 3.84Š| ||
| 1242 | L | 26.5 | Very low | 27.5 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -138.3 | 142.2 | 147 | -155.9 | 78 | 0 | 0 | 0 | 109.2 | ||
| 1243 | N | 26.2 | Very low | 27.1 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | trans | 70.2 | 154.5 | -156.1 | -46 | -79.2 | 0 | 0 | 0 | 110.9 | M1245 | N1243-M1245 HydrophobicContact CB-CE 4.47Å; N1243-M1245 WeakPolarHBondContact OD1-CE 3.07Å | ||
| 1244 | V | 27.5 | Very low | 26.9 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 83% | 0.83 | 67% | 0.666 | S | S | * | * | cis | -142.8 | 136.2 | 44.5 | 167.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1245 | M | 24.1 | Very low | 26.9 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 33% | 0.33 | 67% | 0.673 | S | S | . | * | cis | 82.9 | 102 | 27.6 | -164.8 | -160.3 | -65.2 | 0 | 0 | 115.5 | N1243 F1784 | N1243-M1245 HydrophobicContact CB-CE 4.47Å; N1243-M1245 WeakPolarHBondContact OD1-CE 3.07Å; M1245-F1784 HydrophobicContact CE-CE1 4.41Å; M1245-F1784 HydrophobicContact CG-CD1 3.52Å; M1245-F1784 HydrophobicContact CG-CE1 3.73Å; M1245-F1784 HydrophobicContact SD-CD1 4.04Å; M1245-F1784 HydrophobicContact SD-CE1 4.33Å | ||
| 1246 | K | 26.1 | Very low | 26.8 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | trans | 156 | 129.2 | 141.5 | -86.8 | -172.6 | 166.9 | -161.4 | 0 | 112.9 | ||||
| 1247 | I | 26.3 | Very low | 26.9 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 43% | 0.426 | 68% | 0.675 | S | S | . | * | 73.2 | 106.6 | 102.4 | -59.6 | 176.8 | 0 | 0 | 0 | 110.9 | V1783 F1784 | I1247-V1783 HydrophobicContact CG1-CG1 4.15Å; I1247-V1783 WeakPolarHBondContact CG1-O 3.38Å; I1247-F1784 WeakPolarHBondContact CD1-O 2.94Å; I1247-F1784 HydrophobicContact CG1-CB 4.19Å | |||
| 1248 | S | 25.1 | Very low | 27 | Very low | 54 Ų | 54 | 130.3 Ų | 130.3 | 38% | 0.378 | 68% | 0.682 | S | S | . | * | 70.6 | 131.9 | 68.3 | -161.1 | 0 | 0 | 0 | 0 | 112.7 | S1781 S1782 | S1248-S1781 PolarHBondContact OG-O 3.37Å; S1248-S1782 WeakPolarHBondContact CB-O 3.14Å; S1248-S1782 WeakPolarHBondContact CB-OG 3.22Å; S1248-S1782 WeakPolarHBondContact OG-CB 3.25Å; S1248-S1782 PolarHBondContact OG-O 3.36Å; S1248-S1782 PolarHBondContact OG-OG 3.02Å | |||
| 1249 | S | 27.4 | Very low | 26.9 | Very low | 70 Ų | 70 | 129 Ų | 129 | 49% | 0.49 | 67% | 0.674 | S | S | . | * | cis | -163.9 | -176.6 | -10.5 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | S1781 | S1249-S1781 WeakPolarHBondContact CB-OG 3.13Å; S1249-S1781 PolarHBondContact OG-OG 2.86Å; S1249-S1781 VanDerWaalsContact OG-OG 3.09Å | ||
| 1250 | T | 25.5 | Very low | 27 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 64% | 0.638 | 68% | 0.679 | S | S | * | * | trans | 69.1 | 97.2 | 149.1 | -47.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1251 | I | 27.4 | Very low | 26.9 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | -143.1 | 119.6 | 138.6 | -69 | -167.1 | 0 | 0 | 0 | 109.4 | ||||
| 1252 | K | 27.3 | Very low | 26.8 | Very low | 180 Ų | 180 | 131 Ų | 131 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | 52.3 | 121.9 | 157.2 | -60.1 | 164.2 | -169.8 | 172.1 | 0 | 117.8 | ||||
| 1253 | T | 23.4 | Very low | 27 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | cis | 72.5 | 141.3 | 42.9 | -39.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1254 | I | 26.1 | Very low | 26.9 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 77% | 0.774 | 69% | 0.694 | S | S | * | * | trans | 78.1 | 110.7 | 176.2 | -49.3 | -178.3 | 0 | 0 | 0 | 112.7 | ||||
| 1255 | K | 28.1 | Very low | 26.8 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | cis | -138.5 | 158.3 | 3.4 | -93.1 | 166 | 177.9 | -167.9 | 0 | 109.1 | ||||
| 1256 | Q | 25 | Very low | 26.8 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | 61.6 | 135.5 | 61.4 | -117.3 | 78.9 | 15.8 | 0 | 0 | 112.3 | |||||
| 1257 | D | 29.5 | Very low | 26.7 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | cis | -142.7 | 158.1 | 24 | -74.8 | -78.5 | 0 | 0 | 0 | 114.2 | ||||
| 1258 | Q | 29.6 | Very low | 26.7 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 59 | 135.3 | 157.7 | -72.2 | 169.3 | -9.5 | 0 | 0 | 119.7 | ||||
| 1259 | I | 27.1 | Very low | 26.7 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | cis | 74.7 | 100.9 | 18.3 | -46.3 | 177.9 | 0 | 0 | 0 | 115.6 | ||||
| 1260 | D | 30 | Very low | 26.5 | Very low | 154 Ų | 154 | 158.9 Ų | 158.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | -158.3 | 118.8 | 110.2 | -79.3 | -28.8 | 0 | 0 | 0 | 104.5 | |||||
| 1261 | D | 26.4 | Very low | 26.7 | Very low | 149 Ų | 149 | 160.3 Ų | 160.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | 58.2 | 97.9 | 64 | -82.8 | -22.4 | 0 | 0 | 0 | 115.1 | |||||
| 1262 | D | 27.4 | Very low | 26.4 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | -161.1 | 164.5 | 124.4 | -139.9 | -35 | 0 | 0 | 0 | 112.1 | |||||
| 1263 | Q | 31.1 | Very low | 26.5 | Very low | 164 Ų | 164 | 159.3 Ų | 159.3 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | 64.7 | 83 | 168.9 | -56.3 | -56.4 | -67.3 | 0 | 0 | 118.4 | ||||
| 1264 | K | 23.7 | Very low | 26.6 | Very low | 212 Ų | 212 | 160.6 Ų | 160.6 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -111.7 | 100.3 | 151.4 | -88.9 | -178.6 | 179.6 | 163 | 0 | 110.8 | ||||
| 1265 | E | 25.3 | Very low | 26.6 | Very low | 178 Ų | 178 | 157.5 Ų | 157.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -154.3 | 174.2 | 149.2 | -130.8 | -178.1 | -168.6 | 0 | 0 | 112.3 | ||||
| 1266 | L | 24.5 | Very low | 26.4 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 61.3 | 60.4 | 171.7 | -69.6 | 165.1 | 0 | 0 | 0 | 118.1 | ||||
| 1267 | M | 24.3 | Very low | 26.4 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | trans | -139.8 | 101.8 | 141.8 | -89.7 | -159.9 | 174.9 | 0 | 0 | 111.6 | ||||
| 1268 | K | 26.8 | Very low | 26.3 | Very low | 211 Ų | 211 | 154.3 Ų | 154.3 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -171.2 | 98.7 | 154.6 | -112.2 | 166.1 | -174.5 | 177.1 | 0 | 114.7 | ||||
| 1269 | L | 24.4 | Very low | 26.1 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -152.3 | 135.3 | 154.3 | -87.7 | 164.3 | 0 | 0 | 0 | 103.7 | ||||
| 1270 | D | 23.9 | Very low | 26.1 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -117.4 | 177.5 | -7.2 | -94.8 | -59.8 | 0 | 0 | 0 | 108.2 | ||||
| 1271 | V | 29.4 | Very low | 25.8 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | cis | -156.1 | 145.1 | 49.3 | 167.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1272 | T | 21.8 | Very low | 26 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | -82.1 | 143.6 | 173.7 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1273 | M | 28 | Very low | 25.9 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 93% | 0.931 | 76% | 0.758 | S | S | * | * | trans | -156.4 | 142.3 | 137.2 | -86.8 | -135 | 163.4 | 0 | 0 | 111.8 | ||||
| 1274 | D | 25.7 | Very low | 25.9 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | -71.6 | 159.7 | 177.9 | -65.8 | -65.4 | 0 | 0 | 0 | 113.4 | ||||
| 1275 | S | 26.1 | Very low | 26.1 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | cis | -170.7 | 167.9 | -15.7 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1276 | T | 24.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 71.9 | 161.4 | 161.3 | 68.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1277 | I | 25.6 | Very low | 26.7 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 86.8 | 108.1 | 168.9 | -55.5 | -175.9 | 0 | 0 | 0 | 116.8 | ||||
| 1278 | V | 26.9 | Very low | 26.9 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | 68.4 | 97.2 | 154.5 | 170 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1279 | T | 24.8 | Very low | 27.1 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | 53.5 | 134.3 | 80.5 | 72.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 1280 | T | 28.7 | Very low | 27.5 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | cis | -145.9 | 161.3 | 25.7 | 43.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1281 | S | 23.9 | Very low | 28 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | 49.3 | 142.5 | 66.3 | 112.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1282 | H | 29.2 | Very low | 27.9 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | cis | -167.2 | 157.2 | 0.8 | -122.9 | -45 | 0 | 0 | 0 | 108.2 | ||||
| 1283 | D | 26.8 | Very low | 28.3 | Very low | 63 Ų | 63 | 130 Ų | 130 | 34% | 0.337 | 69% | 0.693 | S | S | . | * | trans | 70.4 | 152.5 | 137 | -59.9 | -12.4 | 0 | 0 | 0 | 122 | S1767 | D1283-S1767 WeakPolarHBondContact OD2-CB 3.16Å; D1283-S1767 PolarHBondContact OD2-OG 2.94Å | ||
| 1284 | H | 31.1 | Very low | 28.5 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 38% | 0.38 | 68% | 0.68 | S | S | . | * | cis | -156.2 | 167.9 | 14.2 | -131 | 7.5 | 0 | 0 | 0 | 113.7 | S1767 V1768 | H1284-S1767 VanDerWaalsContact NE2-CB 3.28Å; H1284-S1767 WeakPolarHBondContact NE2-CB 3.38Å; H1284-V1768 HydrophobicContact CB-CG1 4.42Å | ||
| 1285 | D | 26.5 | Very low | 28.6 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | trans | -89.5 | -167 | 163.3 | -57.4 | -79.6 | 0 | 0 | 0 | 112 | ||||
| 1286 | H | 34 | Very low | 28.8 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 68% | 0.676 | 68% | 0.684 | S | S | * | * | trans | 70 | 171.4 | 172.8 | -39.6 | -65.9 | 0 | 0 | 0 | 114 | ||||
| 1287 | E | 28 | Very low | 29 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | cis | -93.5 | 155.5 | 0.8 | -46.9 | 109.5 | 129.9 | 0 | 0 | 113.2 | ||||
| 1288 | D | 30.2 | Very low | 29.2 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | cis | -132.7 | -108 | -11.8 | -144.6 | 58.6 | 0 | 0 | 0 | 111.9 | ||||
| 1289 | E | 30.5 | Very low | 29.3 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | cis | -149.2 | 158 | -5.4 | -70.5 | 179.5 | 123.6 | 0 | 0 | 110.6 | ||||
| 1290 | D | 32.9 | Very low | 29.4 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | trans | 59.5 | 111.4 | 168.5 | -72.8 | 0.4 | 0 | 0 | 0 | 125.3 | ||||
| 1291 | D | 33.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | 66.3 | 94.6 | 149.9 | -81.3 | -16 | 0 | 0 | 0 | 124 | ||||
| 1292 | Q | 27.7 | Very low | 29.4 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | 43 | 139.9 | 105.4 | -61.9 | -177.3 | 84.5 | 0 | 0 | 119.1 | |||||
| 1293 | D | 30.9 | Very low | 29.2 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 54% | 0.535 | 69% | 0.692 | S | S | . | * | cis | -166.7 | 164.9 | 33.4 | -149.7 | -19.1 | 0 | 0 | 0 | 114.5 | ||||
| 1294 | K | 31.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | trans | 43.2 | 114.3 | 157.9 | -76.8 | 140.3 | -158.5 | 158.2 | 0 | 120.5 | ||||
| 1295 | K | 29.2 | Very low | 28.8 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | 69.4 | 141.8 | 81.2 | -75 | 179.1 | 176.6 | 174.1 | 0 | 114.7 | |||||
| 1296 | L | 29.4 | Very low | 28.9 | Very low | 133 Ų | 133 | 145 Ų | 145 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | cis | -167.2 | 155.9 | 19.4 | -121.4 | 161.1 | 0 | 0 | 0 | 112.9 | ||||
| 1297 | N | 28.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 145 Ų | 145 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | trans | 71.8 | 118.4 | 145.4 | -92.2 | 4.2 | 0 | 0 | 0 | 124.9 | ||||
| 1298 | N | 29.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 145 Ų | 145 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | 59.7 | 150.2 | 101.6 | -66.1 | 4.3 | 0 | 0 | 0 | 121.6 | |||||
| 1299 | Q | 27.8 | Very low | 28.3 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | cis | -165.9 | 159.2 | 9.9 | -129.1 | 163.9 | 9.5 | 0 | 0 | 114.7 | ||||
| 1300 | G | 28.2 | Very low | 28 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 95.4 | 159.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1301 | I | 28.5 | Very low | 27.5 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | cis | -146.4 | 129.9 | -4.5 | -64.3 | -171.8 | 0 | 0 | 0 | 112.2 | ||||
| 1302 | T | 24.4 | Very low | 27.1 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 8.7 | 135.9 | 144.5 | -29.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1303 | L | 25 | Very low | 26.9 | Very low | 146 Ų | 146 | 145 Ų | 145 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | 168.6 | 133.9 | 111.4 | -85.3 | 169.6 | 0 | 0 | 0 | 118.3 | |||||
| 1304 | L | 24.1 | Very low | 26.6 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | 62.1 | 117.8 | 143.4 | -69.3 | 167.8 | 0 | 0 | 0 | 126.4 | ||||
| 1305 | K | 24 | Very low | 26.5 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 24.1 | 127.4 | 135.3 | -59.6 | 180 | 179 | -178.8 | 0 | 121.6 | ||||
| 1306 | H | 29.2 | Very low | 26.4 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | -173.4 | 163.6 | 97.9 | -119.8 | -91.9 | 0 | 0 | 0 | 114.2 | |||||
| 1307 | N | 27.5 | Very low | 26.2 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | -82.3 | 137 | 167.6 | -72.5 | -16.9 | 0 | 0 | 0 | 111.5 | ||||
| 1308 | H | 27.5 | Very low | 26.2 | Very low | 182 Ų | 182 | 141 Ų | 141 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | -171.3 | 166.1 | 122.9 | -114.6 | -83.3 | 0 | 0 | 0 | 112 | |||||
| 1309 | L | 25.5 | Very low | 26.2 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -74.8 | 138.8 | 170.7 | -58.2 | 86.5 | 0 | 0 | 0 | 110.7 | ||||
| 1310 | E | 23.1 | Very low | 26.3 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | -176.5 | 144 | 112.4 | -101.1 | 172 | -166.9 | 0 | 0 | 112 | |||||
| 1311 | D | 22.8 | Very low | 26.3 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 55.8 | 165 | 156.4 | -76 | 3.7 | 0 | 0 | 0 | 123.2 | ||||
| 1312 | Y | 24.2 | Very low | 26.4 | Very low | 201 Ų | 201 | 141 Ų | 141 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | 62 | 93.8 | 170.9 | -63.9 | -70.8 | 0 | 0 | 0 | 119.3 | ||||
| 1313 | S | 23.7 | Very low | 26.5 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | -3.9 | 127.6 | 126 | 59.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1314 | I | 24.8 | Very low | 26.6 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -138.6 | 139.2 | 147.3 | -101.5 | 154.1 | 0 | 0 | 0 | 108.6 | L1316 | I1314-L1316 HydrophobicContact CG2-CG 4.43Š| ||
| 1315 | V | 29.3 | Very low | 27 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -87.5 | 136.1 | 173.1 | 173.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1316 | L | 27.3 | Very low | 27.3 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -132.9 | 129.5 | 152.5 | -64.9 | 174.8 | 0 | 0 | 0 | 105.4 | I1314 | I1314-L1316 HydrophobicContact CG2-CG 4.43Š| ||
| 1317 | N | 25.3 | Very low | 27.1 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | cis | 69.4 | 133.7 | 38.5 | -55.3 | -10.2 | 0 | 0 | 0 | 112.9 | ||||
| 1318 | G | 27.5 | Very low | 27.3 | Very low | 56 Ų | 56 | 138.6 Ų | 138.6 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | cis | -123.9 | -128.4 | -14.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1319 | D | 29.9 | Very low | 27.4 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | cis | -153.9 | -176.3 | 4.1 | -54.7 | -69.4 | 0 | 0 | 0 | 107.3 | ||||
| 1320 | D | 29.5 | Very low | 27.6 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | cis | -158.9 | 178.5 | -2.8 | -151.6 | -12.2 | 0 | 0 | 0 | 111.6 | ||||
| 1321 | S | 29.1 | Very low | 27.7 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | 83.4 | 140.4 | 154.6 | 87.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1322 | T | 30.3 | Very low | 28.1 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 92% | 0.92 | 75% | 0.751 | S | S | * | * | cis | -117.8 | 147 | 37.9 | -0.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1323 | L | 27.1 | Very low | 28.4 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | trans | -91 | 151.7 | -159.2 | -140.6 | 80.2 | 0 | 0 | 0 | 115.9 | ||||
| 1324 | N | 27.1 | Very low | 28.5 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 31 | 129.2 | 139.9 | -72.4 | -22.1 | 0 | 0 | 0 | 122.9 | ||||
| 1325 | K | 31.5 | Very low | 28.9 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | trans | 167.4 | 148.1 | 133.6 | -96.5 | 158.2 | -172.9 | 171.9 | 0 | 110.3 | ||||
| 1326 | I | 31.6 | Very low | 29 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | cis | -135.3 | 162.8 | 6.2 | -60.4 | -174.2 | 0 | 0 | 0 | 109.5 | ||||
| 1327 | N | 25.2 | Very low | 29.2 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -107.2 | 144 | 179.5 | -161.3 | -1.3 | 0 | 0 | 0 | 112.6 | ||||
| 1328 | G | 30 | Very low | 29.3 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | 143.6 | 130.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1329 | K | 30.6 | Very low | 29.4 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | 61.9 | 147.2 | 146.5 | -68.4 | -178.1 | 180 | -178.9 | 0 | 118.6 | ||||
| 1330 | L | 29.4 | Very low | 29.4 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | cis | -150.6 | -176.9 | 12.4 | -129.2 | 160.7 | 0 | 0 | 0 | 110.5 | ||||
| 1331 | N | 24.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | -75.2 | 162.8 | 178.8 | -52.5 | -22.7 | 0 | 0 | 0 | 112.5 | ||||
| 1332 | D | 31.4 | Very low | 29.3 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | -178.7 | 154.4 | 105.5 | -90.4 | -19.6 | 0 | 0 | 0 | 114.1 | |||||
| 1333 | T | 31.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 43.8 | 114.3 | 161.9 | 53.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1334 | Q | 24.5 | Very low | 29.5 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 57 | 109.5 | 76.2 | -66.5 | -168.6 | -65.5 | 0 | 0 | 115.1 | |||||
| 1335 | N | 34 | Very low | 29.5 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | -167.2 | 154.6 | 98.3 | -100.6 | 25.9 | 0 | 0 | 0 | 111.9 | |||||
| 1336 | D | 32 | Very low | 29.3 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 11.5 | 134.5 | 145.3 | -35.5 | -43.9 | 0 | 0 | 0 | 118 | ||||
| 1337 | G | 30.9 | Very low | 29.2 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | cis | 94.4 | 141.2 | 31.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1338 | N | 27.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | cis | -162.5 | -170.2 | -5.4 | -163.7 | 7.7 | 0 | 0 | 0 | 108.1 | ||||
| 1339 | I | 29.2 | Very low | 29.2 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | trans | 80.9 | 108.3 | 148.7 | -77.6 | 162 | 0 | 0 | 0 | 118.8 | ||||
| 1340 | D | 29.8 | Very low | 29.2 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | 92.9 | 91.4 | 127.6 | -64.5 | 20.3 | 0 | 0 | 0 | 123.5 | |||||
| 1341 | D | 30.7 | Very low | 28.9 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | 87.4 | 120.8 | 100.5 | -93.4 | 26.5 | 0 | 0 | 0 | 125.3 | |||||
| 1342 | S | 26.9 | Very low | 28.9 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | 93.1 | 165.4 | 128.3 | 82.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1343 | I | 30.7 | Very low | 28.6 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | trans | 81.8 | 76.4 | -168.3 | -54.3 | 179.5 | 0 | 0 | 0 | 112.2 | ||||
| 1344 | T | 30.1 | Very low | 28.3 | Very low | 112 Ų | 112 | 131 Ų | 131 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | 65.5 | 141.5 | 83.1 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1345 | N | 27.3 | Very low | 28.2 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | cis | -146.7 | 161 | -11.5 | -93.1 | -17.5 | 0 | 0 | 0 | 105.6 | ||||
| 1346 | D | 28.1 | Very low | 27.8 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | -173.9 | 140.4 | 63.1 | -133.3 | -0.9 | 0 | 0 | 0 | 111.7 | |||||
| 1347 | I | 29.2 | Very low | 27.5 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 40% | 0.4 | 69% | 0.693 | S | S | . | * | trans | 63.2 | 80.9 | 153.6 | -49.9 | 168.1 | 0 | 0 | 0 | 117.6 | K1648 | I1347-K1648 HydrophobicContact CD1-CB 4.09Å; I1347-K1648 HydrophobicContact CD1-CD 3.47Å; I1347-K1648 VanDerWaalsContact CD1-CD 3.47Å; I1347-K1648 HydrophobicContact CD1-CG 4.4Å; I1347-K1648 HydrophobicContact CG2-CB 4.5Å; I1347-K1648 HydrophobicContact CG2-CD 4.43Å | ||
| 1348 | I | 28.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | 11 | 106.8 | 125.1 | -51.8 | 173.8 | 0 | 0 | 0 | 115.8 | F1650 | I1348-F1650 WeakPolarHBondContact O-CD2 3.24Å; I1348-F1650 WeakPolarHBondContact O-CE2 3.42Å | |||
| 1349 | D | 26.4 | Very low | 27.3 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 52% | 0.519 | 69% | 0.685 | S | S | . | * | 26.2 | 154.3 | 116.6 | -88 | -52.6 | 0 | 0 | 0 | 122.5 | F1650 | D1349-F1650 WeakPolarHBondContact O-CD2 3.35Å; D1349-F1650 WeakPolarHBondContact O-CE2 3.48Å; D1349-F1650 WeakPolarHBondContact O-CG 3.27Å | |||
| 1350 | H | 30 | Very low | 27.2 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | cis | -138.5 | 158.9 | 18.9 | -105.5 | -36.9 | 0 | 0 | 0 | 114.3 | F1650 | H1350-F1650 VanDerWaalsContact N-CE1 3.28Å; H1350-F1650 WeakPolarHBondContact O-CE1 3.22Å | ||
| 1351 | S | 23.6 | Very low | 27 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | trans | -143 | 154.7 | 163.4 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1352 | F | 25.1 | Very low | 26.8 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 74% | 0.737 | 70% | 0.696 | S | S | * | * | trans | 79.4 | 146.3 | 155.9 | -91.6 | -62.4 | 0 | 0 | 0 | 123.1 | ||||
| 1353 | I | 25.8 | Very low | 26.7 | Very low | 156 Ų | 156 | 134 Ų | 134 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | trans | 84.4 | 135.7 | 148.8 | -71.7 | 160.9 | 0 | 0 | 0 | 119.4 | ||||
| 1354 | K | 23.9 | Very low | 26.3 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 79% | 0.787 | 69% | 0.688 | S | S | * | * | trans | -94 | 150.3 | 167.4 | -59.9 | 176.7 | 175.7 | -173 | 0 | 108.6 | ||||
| 1355 | Q | 23 | Very low | 26 | Very low | 154 Ų | 154 | 132 Ų | 132 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | 168.8 | 131.5 | 106.1 | -96.7 | 172.1 | -89 | 0 | 0 | 110.7 | |||||
| 1356 | E | 24.9 | Very low | 25.8 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | trans | 66.9 | 151.7 | 138.1 | -65.4 | 174.4 | -139.1 | 0 | 0 | 119.2 | ||||
| 1357 | Q | 26.4 | Very low | 25.6 | Very low | 139 Ų | 139 | 132 Ų | 132 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | cis | -149.6 | 152.9 | -1.9 | -129.1 | 178.4 | 70.2 | 0 | 0 | 110.4 | ||||
| 1358 | N | 29.2 | Very low | 25.5 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | 50.2 | 126.4 | 150.5 | -57.7 | -15.2 | 0 | 0 | 0 | 121.8 | ||||
| 1359 | G | 24.6 | Very low | 25.5 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | trans | -75.5 | -173.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1360 | H | 27.2 | Very low | 25.5 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 85% | 0.852 | 71% | 0.713 | S | S | * | * | cis | -158.4 | 163.5 | 5.7 | -118.6 | -69.7 | 0 | 0 | 0 | 106.8 | ||||
| 1361 | V | 25.3 | Very low | 25.2 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | trans | 178.2 | 143.3 | 131.9 | 145.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1362 | F | 26.4 | Very low | 25.3 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 75% | 0.746 | 72% | 0.722 | S | S | * | * | trans | -32.3 | 165.6 | 165.7 | -54.8 | -87.2 | 0 | 0 | 0 | 117.8 | ||||
| 1363 | N | 23.7 | Very low | 25.3 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | cis | -160.6 | 155.6 | 16.3 | -142.9 | 8.3 | 0 | 0 | 0 | 117.1 | ||||
| 1364 | T | 23.8 | Very low | 25.4 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | trans | 49.1 | 152.2 | 142 | 46.5 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1365 | T | 23.7 | Very low | 25.9 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | trans | 83.8 | 92 | 141.4 | 39.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1366 | D | 22.7 | Very low | 26.4 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | 80.3 | 114.6 | 102 | -73.5 | 17.9 | 0 | 0 | 0 | 123.1 | |||||
| 1367 | I | 23.8 | Very low | 26.8 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | 70.7 | 166.4 | 137.2 | -48.4 | 160.3 | 0 | 0 | 0 | 114.7 | ||||
| 1368 | I | 28 | Very low | 27.2 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | 72.8 | 124.1 | 171.5 | -51.2 | -173.7 | 0 | 0 | 0 | 114.2 | ||||
| 1369 | I | 27.7 | Very low | 27.2 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | cis | -164.9 | -174.2 | -22.9 | -132.5 | 158.6 | 0 | 0 | 0 | 107 | G1371 | I1369-G1371 PolarHBondContact O-N 3.34Š| ||
| 1370 | N | 25.6 | Very low | 27.4 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -15.2 | 122.2 | 160.6 | -42.1 | -15.8 | 0 | 0 | 0 | 114.2 | ||||
| 1371 | G | 25.3 | Very low | 27.3 | Very low | 60 Ų | 60 | 128.2 Ų | 128.2 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | cis | 79.4 | 151.5 | 17.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1369 | I1369-G1371 PolarHBondContact O-N 3.34Š| ||
| 1372 | Q | 24.2 | Very low | 27.4 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | 63.9 | 170.9 | -164.8 | -50.8 | -172.6 | -41.1 | 0 | 0 | 112 | ||||
| 1373 | I | 25.8 | Very low | 28 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 65% | 0.651 | 73% | 0.727 | S | S | * | * | cis | -144.8 | 164.7 | 7.8 | -14.8 | 172.4 | 0 | 0 | 0 | 109.1 | ||||
| 1374 | N | 28.1 | Very low | 28.2 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 67.7 | 129 | 158.6 | -55.7 | -25.2 | 0 | 0 | 0 | 116.3 | ||||
| 1375 | N | 35.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | cis | -131.3 | 159.8 | 3.2 | -62.6 | -73.8 | 0 | 0 | 0 | 107.9 | ||||
| 1376 | G | 31.8 | Very low | 28.3 | Very low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | cis | 120.3 | 156.8 | 20.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1377 | F | 34.8 | Very low | 28.4 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | trans | 68.1 | 104 | -152.8 | -60.6 | -84.3 | 0 | 0 | 0 | 110.6 | ||||
| 1378 | D | 33.5 | Very low | 28.6 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | 74.2 | 128.3 | 78 | -64.4 | 0.7 | 0 | 0 | 0 | 109.5 | |||||
| 1379 | G | 30.9 | Very low | 28.6 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | cis | 153.4 | 162.1 | 7.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S1381 | G1379-S1381 PolarHBondContact O-N 3.26Š| ||
| 1380 | D | 28.4 | Very low | 28.7 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | 11.2 | 93.1 | 160 | -58.3 | -17.1 | 0 | 0 | 0 | 116 | ||||
| 1381 | S | 25.5 | Very low | 28.9 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | 84.5 | 164.2 | 81.6 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | G1379 | G1379-S1381 PolarHBondContact O-N 3.26Š| |||
| 1382 | E | 26.1 | Very low | 29.3 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 40.4 | 100.5 | 159 | -62.4 | -174 | 162.3 | 0 | 0 | 120 | P1384 | E1382-P1384 VanDerWaalsContact O-CD 3.29Å; E1382-P1384 WeakPolarHBondContact O-CD 3.26Å | ||
| 1383 | L | 39.4 | Very low | 29.2 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | 12.8 | 109 | 127.6 | -67.9 | 165.1 | 0 | 0 | 0 | 117.3 | |||||
| 1384 | P | 28.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | trans | -115.7 | 117.4 | 142.5 | -1.8 | 23.8 | 0 | 0 | 0 | 109.8 | E1382 | E1382-P1384 VanDerWaalsContact O-CD 3.29Å; E1382-P1384 WeakPolarHBondContact O-CD 3.26Å | ||
| 1385 | L | 22.9 | Very low | 29.1 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | 59.8 | 99.4 | 65.5 | -61 | 165.2 | 0 | 0 | 0 | 113.2 | |||||
| 1386 | F | 27.2 | Very low | 28.6 | Very low | 184 Ų | 184 | 130.7 Ų | 130.7 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | -120.9 | 100.6 | 121.7 | -94.6 | -96.2 | 0 | 0 | 0 | 106.8 | |||||
| 1387 | M | 25 | Very low | 28.5 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 59% | 0.586 | 72% | 0.715 | S | S | * | * | 84 | 142.5 | 92.3 | -81.7 | -160.2 | -166.8 | 0 | 0 | 111.4 | |||||
| 1388 | K | 27.1 | Very low | 28.3 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | cis | -150.5 | 165.8 | 16.4 | -141 | 162.6 | -175.3 | 162.5 | 0 | 111 | ||||
| 1389 | D | 28.1 | Very low | 28 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | trans | 67.5 | 134 | 160.9 | -68.5 | -14.5 | 0 | 0 | 0 | 116.1 | ||||
| 1390 | K | 30.3 | Very low | 27.8 | Very low | 159 Ų | 159 | 135 Ų | 135 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | cis | -160 | 169.7 | 0.5 | -127.3 | 156.2 | -162.6 | 144.9 | 0 | 111 | ||||
| 1391 | S | 28.8 | Very low | 27.7 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 53% | 0.531 | 70% | 0.7 | S | S | . | * | trans | 10 | 134.3 | 146.6 | 67 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1392 | R | 33.6 | Very low | 27.8 | Very low | 205 Ų | 205 | 134.6 Ų | 134.6 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | cis | -167.2 | 137.4 | 39.5 | -125.7 | 143.2 | -167 | 156.7 | -1.8 | 105.8 | D1394 | R1392-D1394 WeakPolarHBondContact CG-OD2 3.04Š| ||
| 1393 | S | 22.1 | Very low | 27.7 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | 50 | 148 | 54.7 | 79 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1394 | D | 28.4 | Very low | 27 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | trans | 70.7 | 118.6 | 163.4 | -34.6 | -44.4 | 0 | 0 | 0 | 116.6 | R1392 | R1392-D1394 WeakPolarHBondContact CG-OD2 3.04Š| ||
| 1395 | S | 23.3 | Very low | 26.9 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | cis | 176.4 | -179.4 | -31.4 | 42.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1396 | D | 25.6 | Very low | 26.9 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | trans | 80 | 144.1 | 144.7 | -67 | -48.4 | 0 | 0 | 0 | 122.7 | ||||
| 1397 | S | 30 | Very low | 26.8 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | 67.3 | 112.3 | 175.1 | 68 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1398 | S | 29.4 | Very low | 26.9 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | cis | -160.9 | 137.4 | -6.7 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1399 | M | 27.1 | Very low | 27 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 80% | 0.803 | 70% | 0.699 | S | S | * | * | trans | 52 | 139 | 137.9 | -63.7 | -158.7 | 176.7 | 0 | 0 | 120 | ||||
| 1400 | K | 27.6 | Very low | 26.9 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | cis | -163.7 | 143.6 | 7 | -125.6 | 177.6 | -179.8 | 177.9 | 0 | 111.1 | ||||
| 1401 | S | 27 | Very low | 26.8 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | 34.8 | 143.1 | 126.6 | 72.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1402 | E | 26.5 | Very low | 26.8 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | cis | -171.4 | 174.9 | 3.5 | -120.7 | 165.4 | 163.6 | 0 | 0 | 112.2 | ||||
| 1403 | M | 23.3 | Very low | 26.6 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | trans | 5.8 | 153.8 | 138.3 | -69.2 | -171.6 | -168.8 | 0 | 0 | 120.4 | ||||
| 1404 | K | 25.6 | Very low | 27.2 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | cis | -168.2 | 158.1 | 19.1 | -127.8 | 161.2 | -177.4 | 158.3 | 0 | 113.2 | ||||
| 1405 | I | 26.3 | Very low | 27.1 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | 23.6 | 111.5 | 133.6 | -60.3 | 175.4 | 0 | 0 | 0 | 119.2 | ||||
| 1406 | N | 23.4 | Very low | 27.6 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | 55.1 | 139.8 | 113.1 | -136.9 | 19.3 | 0 | 0 | 0 | 123 | |||||
| 1407 | L | 24.4 | Very low | 27.6 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | trans | 63.3 | 145.9 | 172.4 | -86 | 67 | 0 | 0 | 0 | 115.6 | ||||
| 1408 | D | 27.4 | Very low | 27.6 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | cis | -144.1 | -179.6 | 24.9 | -110.1 | -41.6 | 0 | 0 | 0 | 114.2 | ||||
| 1409 | T | 28 | Very low | 27.4 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -111.2 | 141.8 | -177.9 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1410 | I | 27.5 | Very low | 27.3 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | 176 | 146.4 | 146.2 | -97.3 | 154.6 | 0 | 0 | 0 | 114.6 | ||||
| 1411 | S | 28.1 | Very low | 27.1 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 79.2 | 160.1 | 159.5 | -144.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1412 | T | 28.4 | Very low | 27 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -108 | 160 | -158.1 | 48.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1413 | T | 29.1 | Very low | 27 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | 145.9 | 113.7 | 121.7 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1414 | Y | 34.1 | Very low | 27.1 | Very low | 228 Ų | 228 | 146.1 Ų | 146.1 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | 178.3 | -177.3 | 131.1 | -113.7 | -92.6 | 0 | 0 | 0 | 111.6 | ||||
| 1415 | K | 27.9 | Very low | 27.2 | Very low | 196 Ų | 196 | 144.4 Ų | 144.4 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -104.2 | 173.6 | -162.5 | -101.9 | -157.6 | 172.2 | -175.8 | 0 | 115.1 | ||||
| 1416 | P | 32.4 | Very low | 27.2 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -111.9 | -148.9 | -138.2 | 46.3 | -40.2 | 0 | 0 | 0 | 115.4 | ||||
| 1417 | D | 27 | Very low | 27.2 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | 84 | 58.7 | 174.6 | -57.4 | -18.3 | 0 | 0 | 0 | 117 | ||||
| 1418 | N | 28.5 | Very low | 27.2 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | S | Bend | -173.9 | 142.5 | 115.3 | -97.1 | -64.2 | 0 | 0 | 0 | 111.6 | |||
| 1419 | I | 25.8 | Very low | 27.5 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | 58.1 | 101.3 | 175.9 | -46.5 | 170.6 | 0 | 0 | 0 | 115.5 | ||||
| 1420 | S | 24.7 | Very low | 27.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -162.6 | 142.8 | 165.8 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1421 | L | 24.8 | Very low | 27.9 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -131.9 | 114.5 | 171.7 | -115.4 | 171.1 | 0 | 0 | 0 | 111.7 | ||||
| 1422 | S | 24.1 | Very low | 27.8 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 50 | 124.5 | 160.5 | 63.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1423 | T | 25.9 | Very low | 27.8 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | -166.2 | 175.6 | 103.4 | 19.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1424 | K | 26.7 | Very low | 27.8 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -86.5 | 166 | -169.7 | -84.2 | 176.5 | -179 | 178 | 0 | 111.9 | ||||
| 1425 | P | 27.7 | Very low | 27.4 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | cis | -150.6 | 175.1 | 48.1 | 42.8 | -20.5 | 0 | 0 | 0 | 121.6 | ||||
| 1426 | T | 24.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -46.7 | 157.6 | 175.4 | -29.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1427 | I | 25 | Very low | 27.4 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | trans | 133.6 | 123.7 | 141 | -70.5 | 171.7 | 0 | 0 | 0 | 116.2 | ||||
| 1428 | D | 23.7 | Very low | 27.8 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | 66.4 | 162.4 | 156.8 | -62.6 | -6 | 0 | 0 | 0 | 125.4 | ||||
| 1429 | I | 33.5 | Very low | 27.8 | Very low | 123 Ų | 123 | 126 Ų | 126 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | trans | -141.5 | 132.2 | -148.3 | -67.1 | 160.9 | 0 | 0 | 0 | 108.7 | ||||
| 1430 | P | 26.8 | Very low | 27.6 | Very low | 112 Ų | 112 | 121 Ų | 121 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | -157.1 | -178.3 | 95.4 | 40.9 | -20.6 | 0 | 0 | 0 | 116.6 | |||||
| 1431 | T | 36.2 | Very low | 27.8 | Very low | 67 Ų | 67 | 121.6 Ų | 121.6 | 41% | 0.411 | 71% | 0.708 | S | S | . | * | trans | -133.3 | 148 | 172.6 | 78.4 | 0 | 0 | 0 | 0 | 115.9 | K1444 D1446 | T1431-K1444 WeakPolarHBondContact OG1-CE 3.04Å; T1431-D1446 PolarHBondContact OG1-OD2 3.04Å | ||
| 1432 | P | 27.7 | Very low | 27.9 | Very low | 111 Ų | 111 | 119 Ų | 119 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | trans | -132.2 | -165.5 | 145.8 | 18.6 | 3.7 | 0 | 0 | 0 | 112.6 | K1444 | P1432-K1444 PolarHBondContact O-NZ 3.16Š| ||
| 1433 | V | 26.6 | Very low | 28 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 42% | 0.418 | 68% | 0.684 | S | S | . | * | trans | -134.7 | 156.3 | 175.7 | -139.5 | 0 | 0 | 0 | 0 | 109.1 | N1443 K1444 | V1433-N1443 WeakPolarHBondContact CG1-ND2 3.17Å; V1433-N1443 HydrophobicContact CG2-CB 4.45Å; V1433-K1444 HydrophobicContact CG2-CD 3.86Å | ||
| 1434 | P | 30.2 | Very low | 28.1 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | -134.1 | 148.9 | 87.2 | 13.2 | 10.2 | 0 | 0 | 0 | 112.8 | |||||
| 1435 | T | 24.7 | Very low | 28 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | 83.8 | 74.9 | 58.3 | -48.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1436 | T | 31 | Very low | 27.9 | Very low | 122 Ų | 122 | 110 Ų | 110 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | trans | -165 | 125.2 | 148.3 | 23 | 0 | 0 | 0 | 0 | 107 | ||||
| 1437 | T | 30.6 | Very low | 28.1 | Very low | 110 Ų | 110 | 112 Ų | 112 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | 67.6 | 111.5 | 90.1 | -50 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1438 | I | 34.5 | Very low | 28.1 | Very low | 152 Ų | 152 | 112.6 Ų | 112.6 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | S | Bend | cis | -113.8 | 156.8 | 18.2 | -58 | 172.9 | 0 | 0 | 0 | 111.5 | S1440 | I1438-S1440 PolarHBondContact O-OG 3.47Š|
| 1439 | C | 28.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 110 Ų | 110 | 78% | 0.784 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -66.4 | 120.1 | -133.8 | -55.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1440 | S | 23.4 | Very low | 28.4 | Very low | 65 Ų | 65 | 113 Ų | 113 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | cis | 63.7 | 141.1 | 22.4 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | I1438 | I1438-S1440 PolarHBondContact O-OG 3.47Š| ||
| 1441 | I | 28.9 | Very low | 28.4 | Very low | 134 Ų | 134 | 112.6 Ų | 112.6 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | cis | -150.5 | 141.7 | 40.7 | -96.1 | 108.1 | 0 | 0 | 0 | 108 | ||||
| 1442 | N | 25.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 114.8 Ų | 114.8 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | 75.8 | 150.8 | 55.9 | -73 | -21.7 | 0 | 0 | 0 | 113.5 | |||||
| 1443 | N | 27.4 | Very low | 27.8 | Very low | 80 Ų | 80 | 115.5 Ų | 115.5 | 43% | 0.428 | 66% | 0.664 | S | S | . | * | cis | -167.4 | 152.7 | -3.9 | -119.2 | -31.7 | 0 | 0 | 0 | 112.9 | V1433 | V1433-N1443 WeakPolarHBondContact CG1-ND2 3.17Å; V1433-N1443 HydrophobicContact CG2-CB 4.45Å | ||
| 1444 | K | 26.9 | Very low | 27.7 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 46% | 0.457 | 68% | 0.678 | S | S | . | * | trans | 56.4 | 171.7 | 142.3 | -70.4 | 165.9 | 171.5 | 171.9 | 0 | 119.9 | T1431 P1432 V1433 | T1431-K1444 WeakPolarHBondContact OG1-CE 3.04Å; P1432-K1444 PolarHBondContact O-NZ 3.16Å; V1433-K1444 HydrophobicContact CG2-CD 3.86Å | ||
| 1445 | S | 25.1 | Very low | 27.5 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | cis | -164.8 | 171 | 14.6 | -0.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1446 | D | 25.9 | Very low | 27.6 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 43% | 0.433 | 68% | 0.677 | S | S | . | * | cis | -172.2 | -155.7 | -18.7 | -152.9 | -64 | 0 | 0 | 0 | 106.4 | T1431 | T1431-D1446 PolarHBondContact OG1-OD2 3.04Š| ||
| 1447 | I | 29 | Very low | 27.4 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | trans | 93.6 | 157.4 | 160.2 | -58.6 | 177.4 | 0 | 0 | 0 | 120.4 | ||||
| 1448 | Q | 24.6 | Very low | 27.4 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | trans | -111.3 | -139.4 | -149.8 | -61.2 | 178.9 | -40.1 | 0 | 0 | 116.7 | ||||
| 1449 | P | 37 | Very low | 27.1 | Very low | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | -131.7 | -178.1 | -97.1 | 41.7 | -23.3 | 0 | 0 | 0 | 117.5 | |||||
| 1450 | H | 26.1 | Very low | 27 | Very low | 184 Ų | 184 | 118.2 Ų | 118.2 | 85% | 0.852 | 67% | 0.67 | S | S | * | * | trans | 66.8 | 154.2 | 162.4 | -75.4 | -76.8 | 0 | 0 | 0 | 120 | ||||
| 1451 | S | 26.8 | Very low | 27.2 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -73.8 | 147.9 | 172.5 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1452 | P | 29.6 | Very low | 26.9 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 74% | 0.74 | 68% | 0.677 | S | S | * | * | -152.7 | 168.2 | 69.6 | 43.4 | -24.9 | 0 | 0 | 0 | 118.3 | |||||
| 1453 | V | 22.9 | Very low | 26.8 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | trans | 25.4 | 117.1 | 133.5 | -172.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1454 | V | 24.6 | Very low | 26.7 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | 87.2 | 128.7 | 145.1 | 164.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1455 | N | 25.7 | Very low | 26.7 | Very low | 135 Ų | 135 | 121 Ų | 121 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | trans | 76.1 | 132.6 | 155.9 | -74 | -7.9 | 0 | 0 | 0 | 123.5 | ||||
| 1456 | N | 26.9 | Very low | 26.7 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | trans | 69.3 | 120.4 | 156.3 | -55.4 | -18.2 | 0 | 0 | 0 | 117.7 | ||||
| 1457 | I | 25.8 | Very low | 26.9 | Very low | 154 Ų | 154 | 122.6 Ų | 122.6 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | 65.8 | 123.8 | 56.5 | -60.2 | 170.6 | 0 | 0 | 0 | 110.2 | |||||
| 1458 | P | 30 | Very low | 26.9 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 71% | 0.714 | 69% | 0.692 | S | S | * | * | cis | -139 | -173.9 | 31.3 | 32 | -8.3 | 0 | 0 | 0 | 118.1 | ||||
| 1459 | S | 30 | Very low | 27.1 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | trans | 76.2 | 98.8 | 139.2 | 52.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1460 | T | 24.9 | Very low | 26.5 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | 38.7 | 136.9 | 101.4 | 61.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 1461 | P | 27.6 | Very low | 26.6 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | -131.8 | 135.7 | 57.9 | 37.2 | -23 | 0 | 0 | 0 | 118.2 | |||||
| 1462 | T | 23 | Very low | 26.5 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 52% | 0.521 | 69% | 0.685 | S | S | . | * | trans | -61.2 | 155.2 | 144.5 | 41.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1463 | I | 24 | Very low | 26.3 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 72% | 0.723 | 68% | 0.682 | S | S | * | * | trans | 67.8 | -179.5 | 156.6 | -62.7 | 153.6 | 0 | 0 | 0 | 112.6 | ||||
| 1464 | T | 24.5 | Very low | 26.4 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | 85.2 | 109.2 | 177.6 | 72.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1465 | T | 25.9 | Very low | 26.5 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 58% | 0.577 | 68% | 0.677 | S | S | * | * | cis | -160.1 | 153.3 | -15.4 | 9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1466 | D | 25.5 | Very low | 26.4 | Very low | 123 Ų | 123 | 124 Ų | 124 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | 17 | 144 | 111.8 | -34.2 | -30.4 | 0 | 0 | 0 | 115.6 | |||||
| 1467 | N | 30.5 | Very low | 26.3 | Very low | 102 Ų | 102 | 126 Ų | 126 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | -166.2 | 140.2 | 77.7 | -100.1 | -63.1 | 0 | 0 | 0 | 115 | |||||
| 1468 | H | 29.8 | Very low | 26.2 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | trans | 70.4 | 148.4 | 139.1 | -69.3 | -15.9 | 0 | 0 | 0 | 117.8 | ||||
| 1469 | R | 29 | Very low | 26.1 | Very low | 186 Ų | 186 | 130 Ų | 130 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | cis | -140.7 | 146.5 | -7 | -105.6 | 147.3 | -163.3 | -165.4 | 5.5 | 106.1 | ||||
| 1470 | T | 24.5 | Very low | 25.9 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | 58.1 | 148.4 | 71.8 | -34.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1471 | I | 27.3 | Very low | 26 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | trans | 86.2 | 126.5 | 178.6 | -55.4 | 172.2 | 0 | 0 | 0 | 113 | ||||
| 1472 | M | 24.1 | Very low | 25.8 | Very low | 141 Ų | 141 | 133 Ų | 133 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | cis | -162.9 | 172 | -17.2 | -119.9 | -160.9 | -71.7 | 0 | 0 | 110.9 | ||||
| 1473 | M | 26 | Very low | 26 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | trans | 68.8 | 125 | 143.8 | -79.4 | 174.4 | 174.7 | 0 | 0 | 122.5 | ||||
| 1474 | M | 25.3 | Very low | 26.1 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 70% | 0.704 | 69% | 0.691 | S | S | * | * | 83.4 | 134.7 | 126 | -72.3 | 177.3 | -177.5 | 0 | 0 | 122.4 | |||||
| 1475 | N | 26.9 | Very low | 26.1 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | trans | 67.2 | 122.4 | 148.5 | -60.5 | -22.6 | 0 | 0 | 0 | 118 | ||||
| 1476 | T | 23.1 | Very low | 26.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | cis | 70 | 148.8 | 42 | 85.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1477 | K | 25.1 | Very low | 26.6 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | 83.6 | 108.6 | 177.7 | -50.3 | -149.1 | 172.8 | -171 | 0 | 114.7 | ||||
| 1478 | D | 23.2 | Very low | 26.3 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | 78.1 | 105.1 | 60.9 | -61.8 | -37.8 | 0 | 0 | 0 | 111.3 | |||||
| 1479 | Y | 27.8 | Very low | 26.1 | Very low | 223 Ų | 223 | 133.3 Ų | 133.3 | 88% | 0.875 | 72% | 0.717 | S | S | * | * | -152.8 | 113.3 | 121.5 | -103.8 | -84.5 | 0 | 0 | 0 | 104.6 | |||||
| 1480 | V | 25.6 | Very low | 26.3 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 56% | 0.564 | 72% | 0.717 | S | S | * | * | 55.5 | 115.4 | 67.4 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1481 | Q | 28 | Very low | 26.2 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | cis | -139 | 138.6 | 35 | -119.9 | 141.7 | -37.1 | 0 | 0 | 109.6 | ||||
| 1482 | V | 23 | Very low | 26 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | 69.1 | 87.8 | 56.9 | -177.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1483 | S | 26.9 | Very low | 26 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | 178.9 | 122.9 | 133.1 | 28 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1484 | S | 26.2 | Very low | 25.9 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | 61.3 | 130 | 56.7 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1485 | S | 25.3 | Very low | 25.9 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | cis | 174.4 | 167.5 | -11.2 | 43.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1486 | L | 25.2 | Very low | 25.9 | Very low | 169 Ų | 169 | 121.9 Ų | 121.9 | 89% | 0.885 | 71% | 0.705 | S | S | * | * | trans | 71 | 165.5 | 169.1 | -88.7 | 72.2 | 0 | 0 | 0 | 116.7 | ||||
| 1487 | P | 35.9 | Very low | 26.4 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -129.2 | 172.6 | -148.9 | 44.1 | -31.2 | 0 | 0 | 0 | 116.5 | ||||
| 1488 | S | 23.5 | Very low | 26.5 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | 173.6 | 175.6 | 122.8 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | K946 | K946-S1488 PolarHBondContact NZ-OG 3.32Š| |||
| 1489 | T | 25.3 | Very low | 26.5 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | trans | -92.2 | 175 | 178.2 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | K946 | K946-T1489 PolarHBondContact NZ-O 3.29Š| ||
| 1490 | P | 34 | Very low | 26.5 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | cis | -140.1 | -164.1 | -26.8 | 29.4 | -5 | 0 | 0 | 0 | 114.7 | ||||
| 1491 | V | 23 | Very low | 26.4 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 76% | 0.758 | 71% | 0.714 | S | S | * | * | trans | 78.5 | 132.7 | 155.9 | -129.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1492 | S | 22.4 | Very low | 26.3 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | trans | 30.1 | 136.2 | 152.8 | 56.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1493 | S | 23.2 | Very low | 26.4 | Very low | 94 Ų | 94 | 116.5 Ų | 116.5 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | cis | 67 | 140.2 | -3.2 | 83.2 | 0 | 0 | 0 | 0 | 119.8 | E939 | E939-S1493 VanDerWaalsContact OE1-C 3.23Å; E939-S1493 VanDerWaalsContact OE1-CA 3.3Å; E939-S1493 WeakPolarHBondContact OE1-CA 3.44Å | ||
| 1494 | S | 24.7 | Very low | 26.6 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | cis | -170.9 | 140.6 | -9.6 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | E939 | E939-S1494 VanDerWaalsContact CD-CA 3.49Å; E939-S1494 WeakPolarHBondContact OE1-CA 3.19Å; E939-S1494 PolarHBondContact OE1-N 3.39Å; E939-S1494 VanDerWaalsContact OE1-N 3.17Å; E939-S1494 WeakPolarHBondContact OE2-CA 3.31Å | ||
| 1495 | F | 25 | Very low | 26.5 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 54% | 0.539 | 71% | 0.707 | S | S | . | * | trans | -139.4 | 151.3 | 177.3 | -133.6 | -123.3 | 0 | 0 | 0 | 118.3 | K938 E939 | K938-F1495 HydrophobicContact CD-CB 4.01Å; K938-F1495 HydrophobicContact CD-CD1 3.84Å; K938-F1495 HydrophobicContact CD-CD2 3.62Å; K938-F1495 HydrophobicContact CD-CE1 4.24Å; K938-F1495 HydrophobicContact CD-CE2 4.05Å; K938-F1495 HydrophobicContact CD-CG 3.54Å; K938-F1495 HydrophobicContact CD-CZ 4.35Å; K938-F1495 VanDerWaalsContact CE-CD2 3.42Å; E939-F1495 PolarHBondContact OE2-N 2.95Å | ||
| 1496 | V | 26.6 | Very low | 26.6 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | trans | -51.3 | 164.2 | 170.8 | -115.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1497 | P | 33.8 | Very low | 26.7 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | cis | -154.9 | 171.8 | 44.8 | 44.4 | -23.2 | 0 | 0 | 0 | 121.3 | ||||
| 1498 | A | 26.9 | Very low | 26.6 | Very low | 96 Ų | 96 | 119.5 Ų | 119.5 | 79% | 0.793 | 70% | 0.704 | S | S | * | * | trans | 65.4 | 167.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1499 | N | 25.1 | Very low | 27 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | cis | -172.9 | 160.1 | -41.8 | -163.5 | 2.7 | 0 | 0 | 0 | 109.4 | ||||
| 1500 | F | 26.1 | Very low | 27.3 | Very low | 175 Ų | 175 | 122 Ų | 122 | 77% | 0.768 | 71% | 0.705 | S | S | * | * | trans | 64.1 | 159.1 | 174.3 | -64.1 | -89.2 | 0 | 0 | 0 | 118 | ||||
| 1501 | N | 24.7 | Very low | 26.9 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | cis | -170.5 | 167.3 | -35.5 | -161.9 | 6.7 | 0 | 0 | 0 | 110.7 | ||||
| 1502 | V | 26.2 | Very low | 27.3 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | trans | 75 | 99 | 161.9 | -167.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1503 | I | 24.6 | Very low | 27.6 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | 41.1 | 143.6 | 109.4 | -58.4 | 168.4 | 0 | 0 | 0 | 119.1 | |||||
| 1504 | P | 31.9 | Very low | 27.8 | Very low | 100 Ų | 100 | 126 Ų | 126 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | cis | -136.2 | -174 | -9.5 | 39.9 | -21.1 | 0 | 0 | 0 | 116.8 | ||||
| 1505 | T | 24.1 | Very low | 28 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 71% | 0.705 | S | S | * | * | trans | 67.9 | 154.1 | 165.2 | 66.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1506 | I | 25.6 | Very low | 28 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | cis | -141.9 | 153.4 | 21.5 | -71.1 | 173.5 | 0 | 0 | 0 | 109.8 | ||||
| 1507 | D | 27.8 | Very low | 28 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | 56.8 | 158.8 | 167 | -61.5 | -18.1 | 0 | 0 | 0 | 118 | ||||
| 1508 | D | 33.2 | Very low | 27.6 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | cis | -149 | 169.2 | 27.7 | -148.9 | -21.5 | 0 | 0 | 0 | 114.4 | ||||
| 1509 | N | 33.1 | Very low | 27.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | trans | -59.3 | 142.8 | -154.9 | -81.6 | -87.3 | 0 | 0 | 0 | 123 | ||||
| 1510 | N | 31.6 | Very low | 27.9 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | 69.1 | 115 | 132.6 | -64.7 | -28.8 | 0 | 0 | 0 | 124.3 | ||||
| 1511 | N | 26.3 | Very low | 28.1 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | trans | -67.7 | 156.9 | 137.1 | -55.6 | -87.2 | 0 | 0 | 0 | 110.1 | ||||
| 1512 | N | 29.5 | Very low | 28.2 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | 174.3 | 144.1 | 110.5 | -89.4 | -23.8 | 0 | 0 | 0 | 115.5 | |||||
| 1513 | N | 29.4 | Very low | 28.2 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | trans | 63 | 123 | 138.6 | -62 | 2.8 | 0 | 0 | 0 | 123.7 | ||||
| 1514 | D | 28.8 | Very low | 28.4 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | 84.9 | 114.3 | 123 | -78.6 | -39.8 | 0 | 0 | 0 | 123.2 | |||||
| 1515 | R | 27.5 | Very low | 28.2 | Very low | 190 Ų | 190 | 143 Ų | 143 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | 79.9 | 122.5 | 120.6 | -75.4 | 172.4 | 171.3 | -159.3 | -6.1 | 122 | |||||
| 1516 | M | 26.5 | Very low | 28.5 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | 71.1 | 153.4 | 127.6 | -65.2 | -169.2 | -178.7 | 0 | 0 | 117.5 | |||||
| 1517 | K | 26.3 | Very low | 28.7 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 70% | 0.7 | 74% | 0.739 | S | S | * | * | cis | -167.1 | 161.1 | -7.6 | -119.3 | 175.6 | 179.5 | -177 | 0 | 108.2 | ||||
| 1518 | S | 24.8 | Very low | 28.7 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | trans | 59.4 | 160 | 157.6 | 38.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1519 | E | 28 | Very low | 28.5 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | cis | -157 | 143.4 | -6.2 | -116.5 | 150.3 | -138.9 | 0 | 0 | 104.4 | ||||
| 1520 | S | 30 | Very low | 28.1 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | 172.6 | 175.7 | 56.3 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1521 | H | 30 | Very low | 27.8 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | trans | 53.4 | 86.1 | 165.4 | -77.8 | -79.6 | 0 | 0 | 0 | 120.1 | ||||
| 1522 | F | 27.4 | Very low | 27.9 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | 176 | 121.5 | 105.5 | -111.2 | -87.1 | 0 | 0 | 0 | 109.3 | |||||
| 1523 | Q | 25.7 | Very low | 27.9 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | -160.6 | 159.9 | -174.5 | -120.3 | 177.7 | 16.8 | 0 | 0 | 116 | ||||
| 1524 | M | 28.9 | Very low | 27.7 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | 83 | 83.1 | 155.1 | -74.5 | -164.7 | 178.2 | 0 | 0 | 122.7 | ||||
| 1525 | T | 27.3 | Very low | 27.9 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | 87.4 | 144.9 | 117.5 | 5.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1526 | K | 31.3 | Very low | 27.8 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | 72.1 | 106.3 | 163.2 | -68.5 | -176.2 | 179 | -179 | 0 | 115.1 | ||||
| 1527 | L | 28.9 | Very low | 27.8 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -150.6 | 161.2 | 4.3 | -78.1 | 172.8 | 0 | 0 | 0 | 108.1 | ||
| 1528 | S | 28.5 | Very low | 27.8 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -169.5 | 156.3 | -6.9 | 41 | 0 | 0 | 0 | 0 | 107.8 | ||
| 1529 | L | 28.3 | Very low | 27.9 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | cis | -147.1 | 166.4 | 1.1 | -127.9 | 176.2 | 0 | 0 | 0 | 110.1 | R1712 | L1529-R1712 PolarHBondContact O-NH2 2.91Š| ||
| 1530 | S | 25.4 | Very low | 28 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 58% | 0.58 | 71% | 0.71 | S | S | * | * | trans | -143.6 | 144.8 | -159.2 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1531 | E | 26.3 | Very low | 27.7 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 50% | 0.5 | 71% | 0.711 | S | S | . | * | cis | -142.5 | -74.7 | 2.3 | -162.3 | 60.7 | -160.8 | 0 | 0 | 112.9 | M1711 R1712 | E1531-M1711 CarbonylContact O-C 3.35Å; E1531-R1712 VanDerWaalsContact CD-NH1 3.26Å; E1531-R1712 VanDerWaalsContact CD-NH2 3.32Å; E1531-R1712 PolarHBondContact O-N 3.35Å; E1531-R1712 IonicContact OE1-CZ 3.51Å; E1531-R1712 IonicContact OE1-NH1 2.67Å; E1531-R1712 PolarHBondContact OE1-NH1 3.1Å; E1531-R1712 IonicContact OE1-NH2 3.48Å; E1531-R1712 PolarHBondContact OE1-NH2 3.4Å; E1531-R1712 IonicContact OE2-CZ 3.53Å; E1531-R1712 IonicContact OE2-NH1 3.48Å; E1531-R1712 PolarHBondContact OE2-NH1 3.27Å; E1531-R1712 IonicContact OE2-NH2 2.73Å; E1531-R1712 PolarHBondContact OE2-NH2 3.03Å | ||
| 1532 | K | 27 | Very low | 27.5 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 40% | 0.396 | 71% | 0.713 | S | S | . | * | trans | -142.4 | 166 | 173.4 | -168.1 | -175.4 | -172.7 | -78 | 0 | 108.5 | I1710 R1712 | K1532-I1710 VanDerWaalsContact C-CB 3.49Å; K1532-I1710 VanDerWaalsContact O-CG2 3.29Å; K1532-I1710 WeakPolarHBondContact O-CG2 3.4Å; K1532-R1712 VanDerWaalsContact CE-O 3.32Å; K1532-R1712 WeakPolarHBondContact CE-O 3.44Å | ||
| 1533 | Q | 29.6 | Very low | 27.5 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 49% | 0.491 | 71% | 0.708 | S | S | . | * | trans | -33.8 | 145.6 | 146.3 | -39.7 | 162.6 | -87.5 | 0 | 0 | 110.8 | I1710 | Q1533-I1710 WeakPolarHBondContact CG-O 3.37Å; Q1533-I1710 PolarHBondContact N-O 3.44Å; Q1533-I1710 VanDerWaalsContact N-O 3.11Å | ||
| 1534 | D | 26.5 | Very low | 27.5 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | -148.3 | 170.1 | 152.7 | -112.6 | -33.9 | 0 | 0 | 0 | 112.7 | ||||
| 1535 | I | 31.9 | Very low | 28 | Very low | 160 Ų | 160 | 128 Ų | 128 | 82% | 0.821 | 70% | 0.703 | S | S | * | * | trans | -128.5 | 138.5 | -157.5 | -61.2 | 166.7 | 0 | 0 | 0 | 111.4 | ||||
| 1536 | A | 25.9 | Very low | 27.9 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | -160.1 | 144.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1537 | S | 25.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | 76.9 | 135.3 | 166 | -45.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1538 | V | 27.9 | Very low | 27.4 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 72% | 0.715 | 69% | 0.686 | S | S | * | * | cis | -155.5 | 139 | -12.6 | 118.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1539 | K | 26.7 | Very low | 27.4 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | trans | 33.1 | 144.3 | 153.6 | -54.4 | -178 | -178.5 | -176.2 | 0 | 120.1 | ||||
| 1540 | N | 28.6 | Very low | 27.1 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | cis | -171.2 | 172.1 | 0.3 | -108.7 | 30.5 | 0 | 0 | 0 | 105.7 | ||||
| 1541 | Y | 24.2 | Very low | 27.1 | Very low | 183 Ų | 183 | 123.3 Ų | 123.3 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | cis | -172.8 | 156.3 | -25.2 | -107 | 13 | 0 | 0 | 0 | 106.6 | ||||
| 1542 | T | 26.6 | Very low | 26.9 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | 59.4 | 148.9 | 163.4 | 49.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1543 | S | 26.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | cis | -163.8 | 170.7 | -17.9 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1544 | L | 26.9 | Very low | 27.2 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | trans | -53.2 | 174.3 | 170.1 | -80.3 | 116 | 0 | 0 | 0 | 115.4 | ||||
| 1545 | P | 39.1 | Very low | 27.2 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | cis | -137.6 | -174 | 5.4 | 30.7 | -7.3 | 0 | 0 | 0 | 117.1 | ||||
| 1546 | S | 24.7 | Very low | 26.8 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | 96 | 146.6 | 141.8 | -63.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1547 | S | 25.4 | Very low | 26.6 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | cis | -168.8 | 150 | -29.4 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1548 | T | 24.5 | Very low | 26.6 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | trans | 68.7 | 165.1 | 147.6 | -29.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1549 | I | 28.8 | Very low | 26.4 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | trans | 86.9 | 106.9 | 162.6 | -54.8 | -175.6 | 0 | 0 | 0 | 118 | ||||
| 1550 | T | 22.2 | Very low | 26.4 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | -56.9 | 142.4 | 158.8 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1551 | T | 24.6 | Very low | 26.2 | Very low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | -173.3 | 152.4 | 115.4 | 25 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1552 | Y | 22.7 | Very low | 26.2 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 35% | 0.345 | 72% | 0.716 | S | S | . | * | trans | 17.8 | 155.4 | 152.7 | -64.5 | -62.9 | 0 | 0 | 0 | 124.9 | R49 T50 | R49-Y1552 WeakPolarHBondContact CG-OH 3.2Å; R49-Y1552 PolarHBondContact NE-OH 2.92Å; R49-Y1552 VanDerWaalsContact NE-OH 3.16Å; R49-Y1552 PolarHBondContact NH1-OH 2.88Å; R49-Y1552 PolarHBondContact NH2-OH 2.88Å; R49-Y1552 VanDerWaalsContact NH2-OH 3.15Å; R49-Y1552 WeakPolarHBondContact O-CE2 3.47Å; R49-Y1552 PolarHBondContact O-OH 2.83Å; T50-Y1552 WeakPolarHBondContact CA-OH 3.34Å; T50-Y1552 HydrophobicContact CG2-CE1 3.72Å; T50-Y1552 VanDerWaalsContact CG2-OH 3.29Å; T50-Y1552 WeakPolarHBondContact CG2-OH 3.31Å; T50-Y1552 PolarHBondContact N-OH 2.85Å | ||
| 1553 | P | 40.5 | Very low | 26.2 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | trans | -70.6 | 149.3 | 156.6 | 34.9 | -33.9 | 0 | 0 | 0 | 110.4 | ||||
| 1554 | S | 22 | Very low | 26.2 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -142.3 | 137 | 174.7 | -116.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1555 | D | 26.6 | Very low | 26.1 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | 54.7 | 118.6 | 138.7 | -49 | -47.3 | 0 | 0 | 0 | 119.2 | ||||
| 1556 | V | 22.8 | Very low | 25.8 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | 64.9 | 105 | 61.3 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1557 | V | 22.4 | Very low | 26.1 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 74% | 0.739 | 70% | 0.704 | S | S | * | * | trans | 24.5 | 113.9 | 139.2 | -159.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1558 | I | 25 | Very low | 26.3 | Very low | 158 Ų | 158 | 120.6 Ų | 120.6 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | -165.7 | 142.1 | 110.3 | -98.3 | 163.5 | 0 | 0 | 0 | 111.2 | |||||
| 1559 | T | 24.2 | Very low | 26.6 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | trans | -74.2 | 136.1 | 177.6 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1560 | T | 27 | Very low | 26.5 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | -145.3 | 122.6 | 137.7 | 26.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1561 | K | 23.7 | Very low | 26.8 | Very low | 178 Ų | 178 | 120.3 Ų | 120.3 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | 53.7 | 130.8 | 74 | -65.5 | -174.7 | 177.5 | 177 | 0 | 110 | |||||
| 1562 | C | 24.3 | Very low | 26.8 | Very low | 107 Ų | 107 | 123 Ų | 123 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | cis | 171 | 178.4 | 14.1 | -100.7 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 1563 | T | 26 | Very low | 27.3 | Very low | 116 Ų | 116 | 121 Ų | 121 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | cis | -155.1 | 165.9 | 0.2 | -2.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1564 | T | 25.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | -14.7 | 162.9 | 148.2 | 59.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1565 | T | 26.5 | Very low | 27.2 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | cis | -165.2 | 141.1 | 49.2 | -41 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1566 | T | 32.9 | Very low | 27.3 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -168.5 | 167.5 | 165.4 | 7.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1567 | G | 31 | Very low | 27.5 | Very low | 55 Ų | 55 | 114.7 Ų | 114.7 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | cis | -169.9 | -10.6 | 0.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1568 | T | 29.6 | Very low | 27.6 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | 68.9 | 154.3 | -173.3 | 74.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1569 | H | 29.8 | Very low | 27.7 | Very low | 162 Ų | 162 | 111.2 Ų | 111.2 | 75% | 0.75 | 67% | 0.668 | S | S | * | * | cis | -144.4 | 175.6 | 24.5 | -124.5 | -87.9 | 0 | 0 | 0 | 114 | ||||
| 1570 | T | 27.5 | Very low | 27.7 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | trans | 75.2 | 101.7 | 156.9 | 37.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1571 | T | 27.1 | Very low | 27.5 | Very low | 98 Ų | 98 | 107.3 Ų | 107.3 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | 92 | 124.7 | 129.4 | 32.9 | 0 | 0 | 0 | 0 | 126 | |||||
| 1572 | Y | 26 | Very low | 27.5 | Very low | 176 Ų | 176 | 101.9 Ų | 101.9 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | trans | 73.6 | 154 | 161 | -69 | -71 | 0 | 0 | 0 | 119.9 | K550 | K550-Y1572 CarbonylContact O-C 3.22Å; K550-Y1572 VanDerWaalsContact O-O 3.11Å | ||
| 1573 | P | 33.5 | Very low | 27.4 | Very low | 45 Ų | 45 | 101.9 Ų | 101.9 | 29% | 0.292 | 62% | 0.618 | S | S | . | * | -136.1 | -168.5 | -72.9 | 38 | -17.3 | 0 | 0 | 0 | 115.9 | K550 P551 P552 | K550-P1573 CarbonylContact C-O 2.98Å; K550-P1573 WeakPolarHBondContact CA-O 3.24Å; K550-P1573 WeakPolarHBondContact CB-O 3.43Å; K550-P1573 WeakPolarHBondContact O-CD 3.4Å; P551-P1573 CarbonylContact C-O 3.45Å; P551-P1573 VanDerWaalsContact CA-O 3.31Å; P551-P1573 WeakPolarHBondContact CA-O 3.04Å; P551-P1573 VanDerWaalsContact N-O 3.15Å; P552-P1573 WeakPolarHBondContact O-CG 3.28Å | |||
| 1574 | I | 29.2 | Very low | 27.2 | Very low | 61 Ų | 61 | 103 Ų | 103 | 31% | 0.313 | 63% | 0.625 | S | S | . | * | trans | -154.6 | 148.7 | -165.3 | -165.8 | 172.5 | 0 | 0 | 0 | 113.1 | K550 | K550-I1574 HydrophobicContact CB-CB 4.41Å; K550-I1574 HydrophobicContact CD-CB 4.32Å; K550-I1574 HydrophobicContact CD-CD1 4.02Å; K550-I1574 HydrophobicContact CG-CD1 4.33Å | ||
| 1575 | S | 30.5 | Very low | 27.1 | Very low | 70 Ų | 70 | 102.9 Ų | 102.9 | 49% | 0.49 | 63% | 0.629 | S | S | . | * | cis | -132.5 | -130.1 | -19.7 | 43.2 | 0 | 0 | 0 | 0 | 111.3 | P552 | P552-S1575 VanDerWaalsContact CD-O 3.31Å; P552-S1575 WeakPolarHBondContact CD-O 3.39Å; P552-S1575 WeakPolarHBondContact CG-O 3.34Å | ||
| 1576 | S | 29.1 | Very low | 27.4 | Very low | 92 Ų | 92 | 102.9 Ų | 102.9 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | cis | -163.7 | 159.5 | 18.6 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1577 | S | 26 | Very low | 27.2 | Very low | 105 Ų | 105 | 102.2 Ų | 102.2 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | trans | 44 | 108.5 | 146.1 | 59.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1578 | S | 26 | Very low | 27.1 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | 52.7 | 114.3 | 127.2 | 63.7 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1579 | S | 25.1 | Very low | 27 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | 78.8 | 142.4 | 126.6 | 65.5 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1580 | I | 24.5 | Very low | 27 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | trans | 75.9 | 118.5 | 158.8 | -69.8 | 164.8 | 0 | 0 | 0 | 117.3 | ||||
| 1581 | T | 23.1 | Very low | 27 | Very low | 63 Ų | 63 | 104.2 Ų | 104.2 | 39% | 0.387 | 64% | 0.643 | S | S | . | * | cis | -162.2 | -140.9 | -19.5 | 3.3 | 0 | 0 | 0 | 0 | 111 | N330 N331 | N330-T1581 VanDerWaalsContact OD1-CG2 3.3Å; N330-T1581 WeakPolarHBondContact OD1-CG2 3.21Å; N331-T1581 WeakPolarHBondContact CA-OG1 3.39Å; N331-T1581 PolarHBondContact N-OG1 3.25Å; N331-T1581 VanDerWaalsContact OD1-C 3.31Å; N331-T1581 WeakPolarHBondContact OD1-CA 3.47Å; N331-T1581 WeakPolarHBondContact OD1-CB 3.43Å; N331-T1581 PolarHBondContact OD1-N 2.83Å; N331-T1581 PolarHBondContact OD1-OG1 3.07Å | ||
| 1582 | T | 23.2 | Very low | 27.1 | Very low | 65 Ų | 65 | 105.3 Ų | 105.3 | 40% | 0.399 | 65% | 0.65 | S | S | . | * | trans | -68.5 | 173.8 | -172.5 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | N330 N331 | N330-T1582 WeakPolarHBondContact OD1-CG2 2.99Å; N330-T1582 PolarHBondContact OD1-OG1 3.06Å; N331-T1582 PolarHBondContact ND2-N 2.73Å; N331-T1582 PolarHBondContact ND2-O 3.43Å; N331-T1582 PolarHBondContact ND2-OG1 2.95Å | ||
| 1583 | T | 22.2 | Very low | 27.1 | Very low | 107 Ų | 107 | 106.3 Ų | 106.3 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | cis | -163.4 | 152.9 | 45.4 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1584 | T | 22.1 | Very low | 27.1 | Very low | 138 Ų | 138 | 110 Ų | 110 | 85% | 0.847 | 68% | 0.682 | S | S | * | * | trans | 62.2 | 150.2 | 151.4 | 47.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1585 | S | 24.7 | Very low | 27 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -94.7 | 158.7 | -165.7 | -38.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1586 | P | 33.1 | Very low | 27 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -103.6 | -179 | 147.3 | 38.8 | -30.9 | 0 | 0 | 0 | 112.3 | ||||
| 1587 | T | 28.5 | Very low | 26.8 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -153.5 | -169.7 | -176.3 | -15.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1588 | I | 28.3 | Very low | 26.8 | Very low | 162 Ų | 162 | 118.4 Ų | 118.4 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | trans | 89.9 | 128 | 172.8 | -51.4 | 161.1 | 0 | 0 | 0 | 113.7 | L1590 | I1588-L1590 HydrophobicContact CG2-CD2 4.11Š| ||
| 1589 | G | 28.6 | Very low | 26.9 | Very low | 68 Ų | 68 | 120.1 Ų | 120.1 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | cis | -170.5 | -171.2 | -0 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1590 | L | 28.4 | Very low | 26.9 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | cis | -130.1 | -148 | 3.7 | -67.8 | 170.6 | 0 | 0 | 0 | 107.8 | I1588 | I1588-L1590 HydrophobicContact CG2-CD2 4.11Š| ||
| 1591 | S | 28.1 | Very low | 27.2 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | -159.4 | -169.6 | 7.4 | -159.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1592 | T | 28.7 | Very low | 27.4 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | -78.7 | 153.4 | -170.8 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1593 | K | 26.2 | Very low | 27.7 | Very low | 196 Ų | 196 | 129.2 Ų | 129.2 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | cis | -141.4 | 171.4 | 35.2 | -90.7 | -170.2 | 177.2 | -178.7 | 0 | 114 | ||||
| 1594 | P | 34 | Very low | 28 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -105.8 | -177.1 | -152 | 41.5 | -37.9 | 0 | 0 | 0 | 118.1 | ||||
| 1595 | T | 27 | Very low | 28.5 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -88.9 | 179.4 | -171.1 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1596 | P | 29.9 | Very low | 28.5 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | -150.3 | 159 | 91.3 | 40 | -22.4 | 0 | 0 | 0 | 117.9 | |||||
| 1597 | I | 25 | Very low | 28.2 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | trans | 51.6 | 111.9 | 149.9 | -56.3 | 158.2 | 0 | 0 | 0 | 119.8 | ||||
| 1598 | S | 27.2 | Very low | 28 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | 176 | 138.5 | 108.9 | 49.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 1599 | I | 28.2 | Very low | 28 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | 25.2 | 120.4 | 153.8 | -49.5 | 177.6 | 0 | 0 | 0 | 119.1 | N1601 | I1599-N1601 WeakPolarHBondContact CG2-OD1 3.46Å; I1599-N1601 PolarHBondContact O-N 3.23Å | ||
| 1600 | S | 24.1 | Very low | 27.8 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -70.4 | 117.3 | 165 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1601 | N | 31.1 | Very low | 27.6 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 60% | 0.599 | 76% | 0.762 | S | S | * | * | trans | -125.2 | 71.3 | 179.7 | -83 | -12.4 | 0 | 0 | 0 | 112.5 | I1599 I1603 | I1599-N1601 WeakPolarHBondContact CG2-OD1 3.46Å; I1599-N1601 PolarHBondContact O-N 3.23Å; N1601-I1603 HydrophobicContact CB-CD1 4.01Å; N1601-I1603 HydrophobicContact CB-CG1 4.05Å; N1601-I1603 PolarHBondContact O-N 2.93Å; N1601-I1603 VanDerWaalsContact O-N 3.12Å | ||
| 1602 | D | 27.3 | Very low | 27.5 | Very low | 175 Ų | 175 | 140 Ų | 140 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | trans | -78.7 | 76.6 | 156.1 | -80.2 | -50.1 | 0 | 0 | 0 | 108.7 | ||||
| 1603 | I | 28.6 | Very low | 27.2 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | -97.1 | 99 | -179 | -59.7 | 177.2 | 0 | 0 | 0 | 109.8 | N1601 | N1601-I1603 HydrophobicContact CB-CD1 4.01Å; N1601-I1603 HydrophobicContact CB-CG1 4.05Å; N1601-I1603 PolarHBondContact O-N 2.93Å; N1601-I1603 VanDerWaalsContact O-N 3.12Å | ||
| 1604 | H | 29.2 | Very low | 27.3 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 156.6 | 143.5 | -111.5 | -91.3 | 0 | 0 | 0 | 109 | ||
| 1605 | P | 32.9 | Very low | 26.8 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 144.9 | -170.9 | -26.3 | 36.1 | 0 | 0 | 0 | 114.7 | ||
| 1606 | I | 23.6 | Very low | 26.7 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 120.9 | 167.8 | -62.5 | 168.3 | 0 | 0 | 0 | 107.6 | ||
| 1607 | D | 27.8 | Very low | 26.4 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -112 | 126.2 | 137.4 | -64.4 | -54.4 | 0 | 0 | 0 | 103.7 | ||||
| 1608 | S | 25 | Very low | 26.5 | Very low | 81 Ų | 81 | 139.7 Ų | 139.7 | 57% | 0.566 | 75% | 0.75 | S | S | * | * | cis | 58.6 | 70.8 | 28.1 | 74.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1609 | D | 27.7 | Very low | 26.4 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | -161.9 | 104.4 | 101 | -93.1 | -13.7 | 0 | 0 | 0 | 111.8 | |||||
| 1610 | D | 23.8 | Very low | 26.2 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -130.8 | 104.9 | 173.8 | -147.6 | -0.1 | 0 | 0 | 0 | 106.2 | ||||
| 1611 | I | 25 | Very low | 26.3 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 173.4 | 121.4 | 158.2 | -92.6 | 150.2 | 0 | 0 | 0 | 109.3 | V1613 | I1611-V1613 HydrophobicContact CG1-CG2 4.24Å; I1611-V1613 HydrophobicContact CG2-CG2 4.2Å | ||
| 1612 | E | 24.9 | Very low | 26 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.944 | 76% | 0.755 | S | S | * | * | trans | -138.5 | 122.4 | 134.8 | -155 | 173.8 | -134.4 | 0 | 0 | 105.8 | ||||
| 1613 | V | 23.8 | Very low | 26.1 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 50% | 0.497 | 75% | 0.749 | S | S | . | * | trans | -117.1 | 126.8 | -167 | 166.6 | 0 | 0 | 0 | 0 | 109.9 | I1611 I1616 | I1611-V1613 HydrophobicContact CG1-CG2 4.24Å; I1611-V1613 HydrophobicContact CG2-CG2 4.2Å; V1613-I1616 HydrophobicContact CG1-CD1 4.33Å; V1613-I1616 HydrophobicContact CG1-CG1 4.34Å | ||
| 1614 | D | 26.9 | Very low | 25.9 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -159.6 | 144.2 | 151.3 | -90.2 | -38.3 | 0 | 0 | 0 | 106.8 | ||||
| 1615 | D | 23.1 | Very low | 25.9 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -99.7 | 134.9 | 6.6 | -44.8 | -68.6 | 0 | 0 | 0 | 112.2 | ||||
| 1616 | I | 26.3 | Very low | 25.6 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | trans | -120.1 | 130.5 | 153.8 | -76.5 | -177.2 | 0 | 0 | 0 | 109.5 | V1613 Y1618 | V1613-I1616 HydrophobicContact CG1-CD1 4.33Å; V1613-I1616 HydrophobicContact CG1-CG1 4.34Å; I1616-Y1618 HydrophobicContact CG2-CD2 4.37Å; I1616-Y1618 HydrophobicContact CG2-CE2 4.29Å; I1616-Y1618 PolarHBondContact O-N 2.85Å | ||
| 1617 | V | 23.8 | Very low | 25.7 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -64.7 | 127.2 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1618 | Y | 25.6 | Very low | 25.7 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -117.1 | 103.9 | 159 | -97.3 | -78.3 | 0 | 0 | 0 | 111.1 | I1616 | I1616-Y1618 HydrophobicContact CG2-CD2 4.37Å; I1616-Y1618 HydrophobicContact CG2-CE2 4.29Å; I1616-Y1618 PolarHBondContact O-N 2.85Å | ||
| 1619 | S | 25.3 | Very low | 25.8 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 128.7 | 154.6 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1620 | N | 25.4 | Very low | 25.8 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -20.5 | 146.3 | 165.4 | -50.6 | -52.6 | 0 | 0 | 0 | 115.5 | ||||
| 1621 | L | 25.2 | Very low | 26 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | -170.7 | 168 | 68.7 | -116.2 | 119.2 | 0 | 0 | 0 | 114.8 | |||||
| 1622 | S | 25.8 | Very low | 26.2 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 69 | 140.2 | 168.1 | 74 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1623 | N | 27.9 | Very low | 26.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | -88.1 | 149.9 | 13.8 | -63 | -58.7 | 0 | 0 | 0 | 113.6 | ||||
| 1624 | Q | 25.5 | Very low | 26.5 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | cis | 70 | 135.8 | 42.8 | -68.9 | -152 | 9.8 | 0 | 0 | 115.8 | ||||
| 1625 | G | 28 | Very low | 26.5 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 95.8 | 117.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1626 | K | 27 | Very low | 26.6 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | cis | -146.6 | 147 | 6.9 | -61.3 | 176.2 | -178.1 | 176.3 | 0 | 111.4 | ||||
| 1627 | S | 26.2 | Very low | 27.1 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -91.8 | 168.1 | 157.2 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1628 | H | 27.9 | Very low | 27.3 | Very low | 182 Ų | 182 | 137 Ų | 137 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 161 | -173.2 | -67.5 | -81.7 | 0 | 0 | 0 | 114.8 | ||||
| 1629 | I | 27.1 | Very low | 27.4 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | -175.2 | 144.8 | 123.9 | -94.9 | 152.7 | 0 | 0 | 0 | 110 | |||||
| 1630 | G | 27.5 | Very low | 27.5 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | 134.5 | 103 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1631 | G | 28.4 | Very low | 27.6 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | 93.5 | 93.9 | 130.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1632 | S | 29.3 | Very low | 27.8 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 66.5 | 122 | 130.9 | -58.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1633 | L | 27.8 | Very low | 28 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 67.4 | 147.1 | 146.5 | -56.9 | 166.8 | 0 | 0 | 0 | 119.5 | ||||
| 1634 | Q | 26.9 | Very low | 27.9 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | cis | -162.7 | 151.2 | -31.3 | -163.7 | 171.6 | -6.3 | 0 | 0 | 108.8 | ||||
| 1635 | L | 26.6 | Very low | 28.1 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | 72.7 | 127.1 | 179.9 | -46.6 | 177.9 | 0 | 0 | 0 | 114.9 | ||||
| 1636 | I | 25.9 | Very low | 28.2 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | cis | 99.5 | 128.3 | 30.1 | -71.6 | 171.8 | 0 | 0 | 0 | 112.2 | ||||
| 1637 | P | 35.4 | Very low | 28.3 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | cis | -146.4 | -170.9 | -20.9 | 39.4 | -17.7 | 0 | 0 | 0 | 117.2 | ||||
| 1638 | Q | 28.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 57% | 0.57 | 72% | 0.723 | S | S | * | * | trans | 75.5 | 126 | 166.8 | -47.6 | -79.6 | 2.7 | 0 | 0 | 116.8 | ||||
| 1639 | R | 27 | Very low | 28.3 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 52% | 0.517 | 72% | 0.716 | S | S | . | * | cis | 91.5 | 140.5 | 40.4 | -72.7 | 167.2 | 155.8 | -169.1 | -5 | 112.9 | T2151 | R1639-T2151 PolarHBondContact NH1-OG1 2.67Å; R1639-T2151 PolarHBondContact NH2-OG1 2.91Å; R1639-T2151 VanDerWaalsContact NH2-OG1 3.15Å | ||
| 1640 | K | 27.4 | Very low | 28.4 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 55% | 0.548 | 70% | 0.698 | S | S | . | * | cis | -168.8 | 152.2 | 2 | -127.7 | -172.2 | 179.7 | -142.4 | 0 | 112.3 | T2151 | K1640-T2151 HydrophobicContact CD-CG2 3.63Š| ||
| 1641 | E | 27.8 | Very low | 28.4 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 56% | 0.556 | 70% | 0.696 | S | S | * | * | trans | 52.5 | 158 | 146 | -73 | 172.9 | -135.5 | 0 | 0 | 120.7 | ||||
| 1642 | K | 29.8 | Very low | 28.2 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | cis | -161.8 | 158.5 | -0.3 | -126.6 | 166.1 | -173.4 | 151.7 | 0 | 111.8 | ||||
| 1643 | N | 29.6 | Very low | 28 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | trans | 15.4 | 152.7 | 139.5 | -67.9 | 17.4 | 0 | 0 | 0 | 122.7 | ||||
| 1644 | T | 27.5 | Very low | 27.9 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 64% | 0.638 | 69% | 0.685 | S | S | * | * | cis | -175.9 | 160.1 | -7.5 | 28.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1645 | N | 28.5 | Very low | 27.8 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | trans | 67 | 165.9 | 149.8 | -71.7 | -30 | 0 | 0 | 0 | 120 | ||||
| 1646 | R | 29.8 | Very low | 28.2 | Very low | 226 Ų | 226 | 142.6 Ų | 142.6 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | cis | -168.8 | 109.1 | -49.1 | -141.1 | 175 | -177.5 | 179 | -0.1 | 109.3 | ||||
| 1647 | K | 29.6 | Very low | 28.5 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | 27.2 | 131.2 | 162.1 | -61 | -167.9 | 175.2 | -169.9 | 0 | 122 | ||||
| 1648 | K | 27.8 | Very low | 28 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 70% | 0.704 | 70% | 0.7 | S | S | * | * | trans | -98.6 | 178.3 | 161.2 | -112.1 | 167.6 | 173 | 178.9 | 0 | 111.7 | I1347 | I1347-K1648 HydrophobicContact CD1-CB 4.09Å; I1347-K1648 HydrophobicContact CD1-CD 3.47Å; I1347-K1648 VanDerWaalsContact CD1-CD 3.47Å; I1347-K1648 HydrophobicContact CD1-CG 4.4Å; I1347-K1648 HydrophobicContact CG2-CB 4.5Å; I1347-K1648 HydrophobicContact CG2-CD 4.43Å | ||
| 1649 | L | 26.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 141 Ų | 141 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -79.3 | 169.4 | -176 | -65.6 | 70.7 | 0 | 0 | 0 | 113.5 | ||||
| 1650 | F | 29 | Very low | 27.8 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 54% | 0.535 | 72% | 0.718 | S | S | . | * | -156.6 | 170.1 | 117.4 | -112.6 | -74.1 | 0 | 0 | 0 | 113.8 | I1348 D1349 H1350 | I1348-F1650 WeakPolarHBondContact O-CD2 3.24Å; I1348-F1650 WeakPolarHBondContact O-CE2 3.42Å; D1349-F1650 WeakPolarHBondContact O-CD2 3.35Å; D1349-F1650 WeakPolarHBondContact O-CE2 3.48Å; D1349-F1650 WeakPolarHBondContact O-CG 3.27Å; H1350-F1650 VanDerWaalsContact N-CE1 3.28Å; H1350-F1650 WeakPolarHBondContact O-CE1 3.22Å | |||
| 1651 | Y | 26.6 | Very low | 27.8 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | -93.7 | -176.8 | -178.3 | -93.2 | -87.9 | 0 | 0 | 0 | 111.1 | ||||
| 1652 | R | 24.4 | Very low | 27.9 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | cis | -153.2 | 179.2 | 14.1 | -143.9 | -177.8 | -174.1 | 161.1 | 4.9 | 112.8 | ||||
| 1653 | S | 25.9 | Very low | 27.8 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -60.5 | 172.9 | 169.4 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1654 | S | 24.8 | Very low | 27.8 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | cis | -172 | 163.9 | 36.8 | 52.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1655 | L | 25.3 | Very low | 28.1 | Very low | 171 Ų | 171 | 144 Ų | 144 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | trans | 80 | 156.6 | 152.5 | -75.4 | 161 | 0 | 0 | 0 | 120.8 | ||||
| 1656 | S | 34.2 | Very low | 28.2 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -137 | 163.2 | -175.6 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1657 | P | 32.5 | Very low | 28.2 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | -149.6 | -176.2 | 93.2 | 39.9 | -21.9 | 0 | 0 | 0 | 115.3 | |||||
| 1658 | C | 25 | Very low | 28.3 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | trans | -77.3 | 170.1 | 167.2 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1659 | S | 26.2 | Very low | 28.3 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | -153.6 | 166.4 | 23 | -49.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1660 | D | 25.7 | Very low | 28.4 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | 68.8 | 109.2 | 147.4 | -58.7 | -21.4 | 0 | 0 | 0 | 123.7 | ||||
| 1661 | I | 26.8 | Very low | 28.2 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 72.3 | 95.2 | 131.8 | -54 | 170.8 | 0 | 0 | 0 | 119.1 | ||||
| 1662 | H | 29.2 | Very low | 28.2 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | trans | 44.6 | 135.8 | 132.9 | -72.2 | -68.7 | 0 | 0 | 0 | 122.1 | F1664 | H1662-F1664 AromaticContact ND1-CE2 3.99Š| ||
| 1663 | P | 29.7 | Very low | 28.2 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | -132.8 | 169.7 | 88.8 | 37.8 | -28.8 | 0 | 0 | 0 | 116.6 | |||||
| 1664 | F | 28.8 | Very low | 28.2 | Very low | 164 Ų | 164 | 121.1 Ų | 121.1 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | trans | -83.2 | 163.8 | 173.9 | -84.4 | -97.4 | 0 | 0 | 0 | 112.4 | H1662 | H1662-F1664 AromaticContact ND1-CE2 3.99Š| ||
| 1665 | P | 33.3 | Very low | 28.2 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | -118.2 | 139.2 | 86.1 | -1.9 | 23.6 | 0 | 0 | 0 | 112.2 | |||||
| 1666 | S | 29.9 | Very low | 28.7 | Very low | 94 Ų | 94 | 121 Ų | 121 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | 65.4 | 138.2 | 73.8 | 85 | 0 | 0 | 0 | 0 | 114 | |||||
| 1667 | S | 30.6 | Very low | 28.5 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | cis | -153.8 | 140.2 | 19.4 | -24.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1668 | T | 31 | Very low | 28.3 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | 56.6 | 151.4 | 100 | 72.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1669 | S | 28.3 | Very low | 28.3 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | cis | -153.7 | 146 | 5.5 | 106.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1670 | L | 28.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | 58.6 | 150.3 | 91.9 | -70.5 | 121 | 0 | 0 | 0 | 117.4 | |||||
| 1671 | V | 26.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | cis | -175.8 | 163.3 | -26.5 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1672 | T | 25.8 | Very low | 28.5 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 68.7 | 168.8 | 160.9 | 58 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1673 | T | 24.8 | Very low | 28.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | cis | -158.2 | 172.5 | 21.5 | -23 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1674 | S | 25.7 | Very low | 28.1 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 77.3 | 127.3 | 155.8 | 59.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1675 | L | 25.5 | Very low | 28 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | cis | 92.1 | 163.8 | 43.9 | -78.7 | 163.3 | 0 | 0 | 0 | 113.1 | ||||
| 1676 | P | 35.5 | Very low | 27.7 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | cis | -136 | 173.6 | -14 | 37 | -19.4 | 0 | 0 | 0 | 116.2 | ||||
| 1677 | K | 29.7 | Very low | 27.4 | Very low | 192 Ų | 192 | 134 Ų | 134 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -172.2 | 115.2 | 133.7 | -100.5 | 160 | -175.3 | 177.1 | 0 | 107.9 | ||||
| 1678 | R | 28.3 | Very low | 27.1 | Very low | 221 Ų | 221 | 138.7 Ų | 138.7 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | 73.9 | 139.9 | 78.7 | -84 | -163.6 | 178.5 | 172.9 | -0 | 114.1 | |||||
| 1679 | N | 25.2 | Very low | 26.9 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -179.1 | 169.1 | -21.4 | -128.5 | 51.4 | 0 | 0 | 0 | 109.2 | ||||
| 1680 | D | 28.1 | Very low | 26.9 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | trans | 133 | 140.5 | 136.6 | -72.1 | -24.1 | 0 | 0 | 0 | 118 | ||||
| 1681 | Q | 28.7 | Very low | 26.8 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | trans | 52.9 | 116.3 | 151.2 | -64.7 | 153.2 | 38.8 | 0 | 0 | 118.6 | ||||
| 1682 | E | 25.1 | Very low | 26.7 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | cis | 76.1 | 123.1 | 42 | -67.2 | -154.7 | 130.4 | 0 | 0 | 117.9 | ||||
| 1683 | I | 25 | Very low | 26.6 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 68.8 | 110.8 | 138.9 | -61.1 | 169 | 0 | 0 | 0 | 119.8 | ||||
| 1684 | C | 26.6 | Very low | 26.5 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -32.2 | 160.1 | 158.4 | -45.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1685 | T | 26 | Very low | 26.6 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | -160.6 | 153.3 | 134.3 | -0.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1686 | N | 27.4 | Very low | 26.6 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | 66 | 87.1 | 160.8 | -52.8 | -27.7 | 0 | 0 | 0 | 115.4 | ||||
| 1687 | D | 24.5 | Very low | 26.5 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | 77.3 | 125.7 | 45.9 | -66.5 | -58.5 | 0 | 0 | 0 | 117.4 | ||||
| 1688 | Y | 24.2 | Very low | 26.4 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | 31 | 110.9 | 146.8 | -70.4 | -88.1 | 0 | 0 | 0 | 121.3 | K1690 | Y1688-K1690 HydrophobicContact CD1-CD 4.41Š| ||
| 1689 | Q | 26 | Very low | 26.5 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | -146.9 | 136.3 | 111.2 | -103.6 | 166.9 | 41.6 | 0 | 0 | 108.4 | I1691 | Q1689-I1691 HydrophobicContact CB-CD1 4.43Å; Q1689-I1691 HydrophobicContact CG-CD1 4.46Å | |||
| 1690 | K | 27.4 | Very low | 26.7 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 74% | 0.735 | 74% | 0.738 | S | S | * | * | cis | 79.8 | 48.7 | 18.2 | -143.9 | -178.1 | -173.4 | -179.8 | 0 | 116.1 | Y1688 | Y1688-K1690 HydrophobicContact CD1-CD 4.41Š| ||
| 1691 | I | 28.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | trans | -126.5 | 113.8 | 147.6 | -78.5 | 103.3 | 0 | 0 | 0 | 104.9 | Q1689 | Q1689-I1691 HydrophobicContact CB-CD1 4.43Å; Q1689-I1691 HydrophobicContact CG-CD1 4.46Å | ||
| 1692 | V | 22.4 | Very low | 26.6 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | 72.6 | 115.9 | 61 | 176.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 1693 | S | 23.8 | Very low | 26.7 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 51 | 113.1 | 166.5 | -54.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1694 | G | 23.9 | Very low | 27.3 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | cis | 97.6 | 110.5 | 22.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1695 | V | 27.8 | Very low | 27.3 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | -149.4 | 108.4 | 159.2 | 163.8 | 0 | 0 | 0 | 0 | 104 | ||||
| 1696 | I | 24.9 | Very low | 27.4 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | 74.5 | 129.3 | 60.6 | -60.7 | 169.2 | 0 | 0 | 0 | 111.2 | |||||
| 1697 | P | 32.7 | Very low | 27.2 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | cis | -87.7 | -92 | 5.6 | 15.9 | 3 | 0 | 0 | 0 | 113.7 | ||||
| 1698 | P | 29.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | cis | -93.5 | -169 | -2.3 | 40.6 | -36.7 | 0 | 0 | 0 | 113.2 | ||||
| 1699 | S | 29.2 | Very low | 27.2 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | trans | -98.8 | 153.5 | -171.2 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1700 | T | 29.3 | Very low | 27.3 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | trans | 62.2 | 123.9 | 146.7 | 48.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1701 | L | 23.1 | Very low | 27.2 | Very low | 153 Ų | 153 | 118.2 Ų | 118.2 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | 55 | 94.6 | 58.5 | -64.5 | 161.2 | 0 | 0 | 0 | 113.6 | |||||
| 1702 | T | 31.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 117 Ų | 117 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | 177 | 124.6 | 102.5 | 43.2 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 1703 | S | 28 | Very low | 27.4 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | cis | 67.3 | 150.3 | 49.7 | 84.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1704 | P | 37.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | cis | -99.8 | 159.4 | 10.6 | -6.5 | 30.6 | 0 | 0 | 0 | 114.7 | ||||
| 1705 | I | 26.6 | Very low | 27.8 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 64% | 0.641 | 69% | 0.688 | S | S | * | * | cis | 73.5 | 137 | 28.7 | -56.6 | 177.3 | 0 | 0 | 0 | 111.1 | ||||
| 1706 | T | 27.1 | Very low | 27.7 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | cis | -106.4 | 160.9 | 9.9 | 56.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1707 | D | 24.3 | Very low | 27.8 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | cis | 68.1 | 142 | 39.8 | -52.9 | -49.5 | 0 | 0 | 0 | 112.2 | ||||
| 1708 | T | 25.1 | Very low | 27.5 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | cis | -158.1 | 136.9 | 0 | 13.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1709 | E | 23.7 | Very low | 27.4 | Very low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | 80.8 | 161.9 | 94.2 | -148.9 | -159.1 | -173.9 | 0 | 0 | 116.7 | |||||
| 1710 | I | 28.1 | Very low | 27.3 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 39% | 0.39 | 69% | 0.689 | S | S | . | * | trans | 76.4 | 130.8 | 161.9 | -26.3 | 179.8 | 0 | 0 | 0 | 117.4 | K1532 Q1533 | K1532-I1710 VanDerWaalsContact C-CB 3.49Å; K1532-I1710 VanDerWaalsContact O-CG2 3.29Å; K1532-I1710 WeakPolarHBondContact O-CG2 3.4Å; Q1533-I1710 WeakPolarHBondContact CG-O 3.37Å; Q1533-I1710 PolarHBondContact N-O 3.44Å; Q1533-I1710 VanDerWaalsContact N-O 3.11Å | ||
| 1711 | M | 24.1 | Very low | 27.2 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | trans | -155.5 | 140.1 | 175.8 | 69.1 | 92.9 | -151.5 | 0 | 0 | 114.4 | E1531 | E1531-M1711 CarbonylContact O-C 3.35Š| ||
| 1712 | R | 28.1 | Very low | 27.6 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 41% | 0.411 | 69% | 0.686 | S | S | . | * | trans | -158.9 | -167.8 | 148 | -104.3 | 179.7 | -68.8 | 108.6 | -7.6 | 107.9 | L1529 E1531 K1532 | L1529-R1712 PolarHBondContact O-NH2 2.91Å; E1531-R1712 VanDerWaalsContact CD-NH1 3.26Å; E1531-R1712 VanDerWaalsContact CD-NH2 3.32Å; E1531-R1712 PolarHBondContact O-N 3.35Å; E1531-R1712 IonicContact OE1-CZ 3.51Å; E1531-R1712 IonicContact OE1-NH1 2.67Å; E1531-R1712 PolarHBondContact OE1-NH1 3.1Å; E1531-R1712 IonicContact OE1-NH2 3.48Å; E1531-R1712 PolarHBondContact OE1-NH2 3.4Å; E1531-R1712 IonicContact OE2-CZ 3.53Å; E1531-R1712 IonicContact OE2-NH1 3.48Å; E1531-R1712 PolarHBondContact OE2-NH1 3.27Å; E1531-R1712 IonicContact OE2-NH2 2.73Å; E1531-R1712 PolarHBondContact OE2-NH2 3.03Å; K1532-R1712 VanDerWaalsContact CE-O 3.32Å; K1532-R1712 WeakPolarHBondContact CE-O 3.44Å | ||
| 1713 | T | 27.5 | Very low | 27.5 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | -147.9 | 138.7 | -125.2 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1714 | T | 27.1 | Very low | 27.6 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 85% | 0.847 | 70% | 0.695 | S | S | * | * | trans | 62.2 | 153 | 165.5 | 49.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1715 | A | 28.8 | Very low | 27.6 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | cis | -149.9 | 159 | 9.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1716 | S | 25.1 | Very low | 27.7 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | 41.7 | 148.6 | 128.3 | -56.4 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1717 | T | 26.6 | Very low | 27.8 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | cis | -173.2 | 133.3 | -4.1 | 21.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1718 | S | 27.6 | Very low | 27.9 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | 178.1 | 132.5 | 141 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1719 | Y | 26.9 | Very low | 27.9 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | cis | 70.7 | 116.6 | 50 | -67.2 | -55.2 | 0 | 0 | 0 | 112.9 | ||||
| 1720 | L | 27.7 | Very low | 28.4 | Very low | 146 Ų | 146 | 122.5 Ų | 122.5 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | cis | -122.9 | -150 | -8.5 | -59.6 | 97.9 | 0 | 0 | 0 | 108.2 | ||||
| 1721 | L | 27.5 | Very low | 28.3 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | cis | -154.1 | 173.9 | 4 | -151.1 | 57.4 | 0 | 0 | 0 | 104.6 | ||||
| 1722 | S | 29.7 | Very low | 28.3 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | cis | -153.7 | -169 | 14.7 | 69.5 | 0 | 0 | 0 | 0 | 112 | Q1724 | S1722-Q1724 PolarHBondContact O-N 3.03Å; S1722-Q1724 VanDerWaalsContact O-N 3.15Å | ||
| 1723 | N | 28.9 | Very low | 28.1 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | 17.2 | 75.2 | 155.4 | -62.6 | 10 | 0 | 0 | 0 | 119.4 | ||||
| 1724 | Q | 30.1 | Very low | 28 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | 37.2 | 154.2 | 99.2 | -86.7 | -144.3 | 6.8 | 0 | 0 | 120.4 | S1722 | S1722-Q1724 PolarHBondContact O-N 3.03Å; S1722-Q1724 VanDerWaalsContact O-N 3.15Å | |||
| 1725 | P | 38.6 | Very low | 28 | Very low | 71 Ų | 71 | 132 Ų | 132 | 46% | 0.461 | 73% | 0.727 | S | S | . | * | cis | -138.8 | 141.8 | 35.9 | 32.1 | -9.8 | 0 | 0 | 0 | 120.7 | ||||
| 1726 | L | 29.5 | Very low | 27.9 | Very low | 138 Ų | 138 | 132 Ų | 132 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | trans | 67.2 | 145.6 | 134.7 | -62.8 | 170.6 | 0 | 0 | 0 | 120.3 | ||||
| 1727 | A | 28.6 | Very low | 28 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | cis | -143.3 | 163.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1728 | L | 25.5 | Very low | 28 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | trans | -95.6 | -172.2 | 169.3 | -60.5 | 89.4 | 0 | 0 | 0 | 109.2 | ||||
| 1729 | Q | 26 | Very low | 27.9 | Very low | 168 Ų | 168 | 135 Ų | 135 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | cis | -161.3 | 176.5 | 31.9 | -112.3 | -145.7 | -7.3 | 0 | 0 | 112.6 | ||||
| 1730 | P | 34.5 | Very low | 27.9 | Very low | 94 Ų | 94 | 132 Ų | 132 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | trans | -104.2 | -176.5 | -169.5 | 42 | -36.5 | 0 | 0 | 0 | 114.6 | ||||
| 1731 | H | 26 | Very low | 27.7 | Very low | 164 Ų | 164 | 130 Ų | 130 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | -172.9 | 165.6 | 122 | -114.2 | -88.9 | 0 | 0 | 0 | 114.8 | |||||
| 1732 | L | 24.6 | Very low | 27.8 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | -82.1 | 167.4 | -177.3 | -61.3 | 97.4 | 0 | 0 | 0 | 114.6 | ||||
| 1733 | K | 22.5 | Very low | 27.7 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 60% | 0.6 | 71% | 0.713 | S | S | * | * | trans | -129.7 | 137.9 | 151.8 | -104.5 | -174.1 | 173.1 | 178.7 | 0 | 109.6 | E79 | E79-K1733 VanDerWaalsContact CG-NZ 3.33Å; E79-K1733 IonicContact OE1-NZ 2.8Å; E79-K1733 PolarHBondContact OE1-NZ 2.97Å | ||
| 1734 | M | 25.4 | Very low | 27.9 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 95% | 0.946 | 71% | 0.709 | S | S | * | * | trans | -146.4 | 157.3 | 150 | -150.5 | 165.1 | -170.2 | 0 | 0 | 109.3 | ||||
| 1735 | V | 27.1 | Very low | 27.7 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | trans | -100.1 | 161.6 | -164.3 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1736 | S | 26.8 | Very low | 27.3 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 57% | 0.573 | 73% | 0.726 | S | S | * | * | trans | -80.6 | 143.2 | -160.4 | 57.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1737 | S | 27.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | 93.7 | 127.5 | 122.9 | -78.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1738 | I | 27.3 | Very low | 27.3 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | 98.2 | 99 | 129.6 | -72 | 167.2 | 0 | 0 | 0 | 119.3 | |||||
| 1739 | E | 25.4 | Very low | 27.5 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | 61.1 | 148.3 | 123.5 | -58.2 | -166.4 | 142.8 | 0 | 0 | 121.4 | |||||
| 1740 | L | 25.9 | Very low | 27.7 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | cis | -163.4 | 157.3 | -5.8 | -119.4 | 169.8 | 0 | 0 | 0 | 110.1 | ||||
| 1741 | S | 24.2 | Very low | 27.7 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | trans | 63.8 | 154.7 | 165 | 77.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1742 | S | 29.7 | Very low | 28 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | cis | -131.9 | 141.3 | 14.3 | 33.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1743 | N | 28.2 | Very low | 28.3 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | 59.4 | 134.4 | 78.2 | -91.2 | -6.9 | 0 | 0 | 0 | 112.6 | |||||
| 1744 | L | 32.8 | Very low | 28.7 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | cis | -154.1 | 166.8 | 25.7 | -117.5 | 156.5 | 0 | 0 | 0 | 115 | ||||
| 1745 | N | 25.2 | Very low | 29 | Very low | 126 Ų | 126 | 116.8 Ų | 116.8 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | trans | -41.8 | 163.2 | 171.3 | -55.5 | -20.6 | 0 | 0 | 0 | 118.1 | ||||
| 1746 | G | 30.3 | Very low | 29.1 | Very low | 78 Ų | 78 | 116.8 Ų | 116.8 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | -145.7 | 28.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1747 | N | 27.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | 18.8 | 136.4 | 139.4 | -83.5 | 39.6 | 0 | 0 | 0 | 119.8 | ||||
| 1748 | N | 30.3 | Very low | 29.4 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | -165.1 | 151.6 | 52.9 | -98.5 | -37.1 | 0 | 0 | 0 | 114.8 | |||||
| 1749 | I | 30.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 68% | 0.682 | 66% | 0.66 | S | S | * | * | trans | -2.5 | 158.9 | 130.9 | 11.1 | 168.1 | 0 | 0 | 0 | 118.4 | ||||
| 1750 | N | 30.1 | Very low | 29.3 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 45% | 0.449 | 66% | 0.66 | S | S | . | * | 176.2 | 164.7 | 76.3 | -118.7 | -40.2 | 0 | 0 | 0 | 109.9 | |||||
| 1751 | N | 34 | Very low | 29.2 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | cis | -154.5 | 143.8 | 48.7 | -95.8 | -39.6 | 0 | 0 | 0 | 110.1 | ||||
| 1752 | R | 31.8 | Very low | 29.4 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 61% | 0.611 | 67% | 0.671 | S | S | * | * | 67.7 | 152.2 | 76 | -59.4 | -175.9 | -168.2 | 140.6 | -18.9 | 113.2 | N1755 | R1752-N1755 VanDerWaalsContact CD-OD1 3.3Å; R1752-N1755 WeakPolarHBondContact CD-OD1 3.39Å | |||
| 1753 | S | 32.7 | Very low | 29.7 | Very low | 83 Ų | 83 | 125 Ų | 125 | 58% | 0.58 | 67% | 0.668 | S | S | * | * | cis | -152.5 | 172.8 | 32.5 | 55 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1754 | H | 30.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | cis | -124.5 | 148.9 | 12.2 | -80.2 | -92.7 | 0 | 0 | 0 | 112.8 | ||||
| 1755 | N | 31 | Very low | 29.2 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 39% | 0.39 | 68% | 0.675 | S | S | . | * | cis | 78 | 143.2 | 35.1 | -71.6 | 52.3 | 0 | 0 | 0 | 113.5 | R1752 | R1752-N1755 VanDerWaalsContact CD-OD1 3.3Å; R1752-N1755 WeakPolarHBondContact CD-OD1 3.39Å | ||
| 1756 | D | 30 | Very low | 29.1 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 60% | 0.604 | 66% | 0.661 | S | S | * | * | cis | -140.4 | 168.3 | -10.6 | -86.8 | -45.5 | 0 | 0 | 0 | 106.1 | ||||
| 1757 | N | 29.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 66% | 0.663 | 65% | 0.645 | S | S | * | * | -179.4 | 140.9 | 63.8 | -93.5 | -61.9 | 0 | 0 | 0 | 110.9 | |||||
| 1758 | F | 29.5 | Very low | 28.7 | Very low | 191 Ų | 191 | 119.1 Ų | 119.1 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | trans | 56.4 | 164.8 | 145 | -73.4 | -114.5 | 0 | 0 | 0 | 119.7 | ||||
| 1759 | S | 25.1 | Very low | 28.5 | Very low | 87 Ų | 87 | 120.7 Ų | 120.7 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | cis | -172.1 | 154.1 | -38.5 | -167.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1760 | K | 25.8 | Very low | 28.3 | Very low | 174 Ų | 174 | 120.2 Ų | 120.2 | 76% | 0.757 | 63% | 0.633 | S | S | * | * | trans | 68.2 | 150.6 | 162.2 | -77.7 | 179.9 | -179.8 | -174.5 | 0 | 119.5 | ||||
| 1761 | D | 24.7 | Very low | 28.1 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 79% | 0.786 | 65% | 0.645 | S | S | * | * | trans | 56.8 | 140.3 | 147.5 | -49.5 | -22.1 | 0 | 0 | 0 | 120.9 | ||||
| 1762 | L | 28.2 | Very low | 28 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 87% | 0.874 | 66% | 0.662 | S | S | * | * | trans | -73.1 | 160.8 | 168.7 | -77.9 | 144.1 | 0 | 0 | 0 | 110.7 | ||||
| 1763 | P | 36.3 | Very low | 27.9 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 67% | 0.673 | S | S | * | * | cis | -135.9 | -177.8 | -0.4 | 38.6 | -20.2 | 0 | 0 | 0 | 115.6 | ||||
| 1764 | L | 24.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 135 Ų | 135 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | trans | 73.2 | 144.8 | 141.3 | -91.8 | 161.1 | 0 | 0 | 0 | 122.1 | ||||
| 1765 | V | 24.5 | Very low | 27.8 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | 75.1 | 144 | 163.7 | -178 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1766 | S | 24.4 | Very low | 27.6 | Very low | 55 Ų | 55 | 132.3 Ų | 132.3 | 39% | 0.385 | 70% | 0.7 | S | S | . | * | trans | -63.7 | 137 | -171.9 | 51.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1767 | S | 24.8 | Very low | 27.6 | Very low | 67 Ų | 67 | 132 Ų | 132 | 47% | 0.469 | 70% | 0.704 | S | S | . | * | 75.2 | 159.2 | 117.1 | -61.3 | 0 | 0 | 0 | 0 | 119.1 | D1283 H1284 | D1283-S1767 WeakPolarHBondContact OD2-CB 3.16Å; D1283-S1767 PolarHBondContact OD2-OG 2.94Å; H1284-S1767 VanDerWaalsContact NE2-CB 3.28Å; H1284-S1767 WeakPolarHBondContact NE2-CB 3.38Å | |||
| 1768 | V | 24.6 | Very low | 27.4 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 41% | 0.406 | 71% | 0.71 | S | S | . | * | cis | -156.4 | 147.8 | -10.5 | 108.7 | 0 | 0 | 0 | 0 | 112 | H1284 | H1284-V1768 HydrophobicContact CB-CG1 4.42Š| ||
| 1769 | K | 25.5 | Very low | 27.3 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | 59.4 | -175.9 | 162.3 | -68.5 | 164.9 | -143.8 | 148.4 | 0 | 114.4 | ||||
| 1770 | L | 25.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | cis | -133.5 | 158.1 | -3.1 | -162.6 | 67.3 | 0 | 0 | 0 | 113.3 | ||||
| 1771 | H | 26.6 | Very low | 27.2 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | trans | -60.2 | 170.6 | -179.7 | -13.5 | -62.8 | 0 | 0 | 0 | 116.2 | ||||
| 1772 | R | 31.3 | Very low | 27.3 | Very low | 233 Ų | 233 | 120.6 Ų | 120.6 | 88% | 0.879 | 68% | 0.676 | S | S | * | * | trans | -153.3 | 146.5 | 132.3 | -107 | 160 | -167.8 | 178.3 | 6 | 107.6 | ||||
| 1773 | R | 29.9 | Very low | 27.2 | Very low | 223 Ų | 223 | 116.4 Ų | 116.4 | 84% | 0.842 | 66% | 0.658 | S | S | * | * | S | Bend | cis | -159.5 | 153.1 | 26.9 | -115 | 179.5 | -171.4 | 156.4 | 2.6 | 106.6 | ||
| 1774 | V | 30.5 | Very low | 26.8 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 79% | 0.788 | 65% | 0.652 | S | S | * | * | S | Bend | cis | -151.8 | 149.5 | 1.1 | 164 | 0 | 0 | 0 | 0 | 104.4 | ||
| 1775 | A | 30.6 | Very low | 26.9 | Very low | 92 Ų | 92 | 113.2 Ų | 113.2 | 76% | 0.76 | 63% | 0.633 | S | S | * | * | cis | -171 | 168.5 | -23.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1776 | A | 28.3 | Very low | 26.9 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 76% | 0.76 | 62% | 0.624 | S | S | * | * | cis | -140.3 | 162.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1777 | P | 28.2 | Very low | 27 | Very low | 106 Ų | 106 | 114 Ų | 114 | 69% | 0.688 | 64% | 0.636 | S | S | * | * | trans | -102.8 | -167.6 | -176.7 | 40.3 | -33.4 | 0 | 0 | 0 | 113.7 | ||||
| 1778 | T | 26.4 | Very low | 27.1 | Very low | 129 Ų | 129 | 115.1 Ų | 115.1 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | 72.1 | 153.9 | 172.1 | -9.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1779 | V | 26.7 | Very low | 27.2 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | cis | -146.2 | 162.3 | 13.3 | -156.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1780 | T | 24.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | trans | 39.9 | 135.5 | 153.2 | 42 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1781 | S | 24.7 | Very low | 27.6 | Very low | 68 Ų | 68 | 115.4 Ų | 115.4 | 48% | 0.476 | 67% | 0.671 | S | S | . | * | trans | 72.3 | 132 | 152.1 | 77.3 | 0 | 0 | 0 | 0 | 118.4 | S1248 S1249 | S1248-S1781 PolarHBondContact OG-O 3.37Å; S1249-S1781 WeakPolarHBondContact CB-OG 3.13Å; S1249-S1781 PolarHBondContact OG-OG 2.86Å; S1249-S1781 VanDerWaalsContact OG-OG 3.09Å | ||
| 1782 | S | 26.4 | Very low | 27.9 | Very low | 61 Ų | 61 | 114.1 Ų | 114.1 | 43% | 0.427 | 67% | 0.674 | S | S | . | * | trans | 45.5 | 119.7 | 155.6 | 38.5 | 0 | 0 | 0 | 0 | 119.9 | S1248 | S1248-S1782 WeakPolarHBondContact CB-O 3.14Å; S1248-S1782 WeakPolarHBondContact CB-OG 3.22Å; S1248-S1782 WeakPolarHBondContact OG-CB 3.25Å; S1248-S1782 PolarHBondContact OG-O 3.36Å; S1248-S1782 PolarHBondContact OG-OG 3.02Å | ||
| 1783 | V | 27.6 | Very low | 27.9 | Very low | 80 Ų | 80 | 108.1 Ų | 108.1 | 49% | 0.485 | 66% | 0.663 | S | S | . | * | 72.1 | 105.5 | 126.8 | -179.3 | 0 | 0 | 0 | 0 | 116.9 | I1247 | I1247-V1783 HydrophobicContact CG1-CG1 4.15Å; I1247-V1783 WeakPolarHBondContact CG1-O 3.38Å | |||
| 1784 | F | 26.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 106.1 Ų | 106.1 | 53% | 0.531 | 66% | 0.663 | S | S | . | * | trans | 78.8 | 106.7 | 130.1 | -84.9 | -128 | 0 | 0 | 0 | 123.1 | M1245 I1247 | M1245-F1784 HydrophobicContact CE-CE1 4.41Å; M1245-F1784 HydrophobicContact CG-CD1 3.52Å; M1245-F1784 HydrophobicContact CG-CE1 3.73Å; M1245-F1784 HydrophobicContact SD-CD1 4.04Å; M1245-F1784 HydrophobicContact SD-CE1 4.33Å; I1247-F1784 WeakPolarHBondContact CD1-O 2.94Å; I1247-F1784 HydrophobicContact CG1-CB 4.19Å | ||
| 1785 | T | 26.8 | Very low | 27.8 | Very low | 71 Ų | 71 | 103.5 Ų | 103.5 | 44% | 0.436 | 66% | 0.655 | S | S | . | * | 80.5 | 153.3 | 108.6 | 68.5 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1786 | N | 25.5 | Very low | 27.8 | Very low | 109 Ų | 109 | 104.8 Ų | 104.8 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | trans | 76.4 | 146.4 | 134.6 | -77.2 | 2 | 0 | 0 | 0 | 117.8 | ||||
| 1787 | S | 25.1 | Very low | 27.8 | Very low | 91 Ų | 91 | 106 Ų | 106 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | cis | -164.5 | 173.2 | -3.2 | -116.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1788 | A | 26.5 | Very low | 28 | Very low | 90 Ų | 90 | 109 Ų | 109 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | trans | 70.1 | 173.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1789 | T | 28 | Very low | 28 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | cis | -152.7 | 172.7 | 26.6 | -36.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1790 | I | 31.9 | Very low | 28 | Very low | 146 Ų | 146 | 111.1 Ų | 111.1 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | trans | 78.2 | 102.2 | 169.4 | -53.1 | 150.2 | 0 | 0 | 0 | 112.2 | ||||
| 1791 | A | 27.1 | Very low | 28.5 | Very low | 87 Ų | 87 | 114 Ų | 114 | 72% | 0.719 | 67% | 0.67 | S | S | * | * | cis | 82 | 172.4 | 24.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1792 | T | 33.2 | Very low | 29.2 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | trans | 105.7 | 131.1 | -175.7 | 65.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1793 | T | 30.5 | Very low | 29.8 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | cis | -162.8 | 134.7 | -11.4 | 20.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1794 | H | 29.8 | Very low | 29.8 | Very low | 180 Ų | 180 | 119.6 Ų | 119.6 | 83% | 0.833 | 71% | 0.711 | S | S | * | * | trans | 66.2 | 148.2 | 136.8 | -72.1 | -136 | 0 | 0 | 0 | 121.5 | ||||
| 1795 | A | 29.6 | Very low | 29.8 | Very low | 75 Ų | 75 | 116 Ų | 116 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | cis | -166.4 | -153.5 | -16.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1796 | T | 31.3 | Very low | 30.2 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | cis | -168.1 | 146.4 | 11.1 | -18 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1797 | T | 28.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 115.5 Ų | 115.5 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | trans | 41.6 | 136.2 | 144.5 | 47.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1798 | M | 30.9 | Very low | 30.4 | Very low | 169 Ų | 169 | 115.9 Ų | 115.9 | 83% | 0.833 | 70% | 0.702 | S | S | * | * | cis | -145.4 | -179.5 | 3.8 | -60 | -156.7 | -175.3 | 0 | 0 | 110.3 | ||||
| 1799 | S | 27.9 | Very low | 30.8 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | cis | 78.3 | 138.7 | 20.5 | -93.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1800 | K | 26.5 | Very low | 31 | Very low | 187 Ų | 187 | 113.3 Ų | 113.3 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | cis | -169.2 | -157.1 | -18.7 | -134.4 | 177.5 | -176.5 | -178.5 | 0 | 111.1 | ||||
| 1801 | I | 35 | Very low | 31.2 | Very low | 170 Ų | 170 | 113 Ų | 113 | 87% | 0.872 | 69% | 0.687 | S | S | * | * | trans | 88.8 | 147.7 | 168.6 | -59.1 | 173.2 | 0 | 0 | 0 | 116.3 | ||||
| 1802 | A | 38.4 | Very low | 31.4 | Very low | 62 Ų | 62 | 112.1 Ų | 112.1 | 51% | 0.512 | 67% | 0.673 | S | S | . | * | cis | -171.5 | -179 | -29.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1805 | A1802-P1805 WeakPolarHBondContact O-CG 3.48Š| ||
| 1803 | T | 38.6 | Very low | 31.4 | Very low | 135 Ų | 135 | 110.7 Ų | 110.7 | 83% | 0.828 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 51.3 | 118.9 | 173.6 | 57.9 | 0 | 0 | 0 | 0 | 122.4 | P1805 | T1803-P1805 VanDerWaalsContact CA-CD 3.42Š|
| 1804 | S | 28.7 | Very low | 31.4 | Very low | 131 Ų | 131 | 109.5 Ų | 109.5 | 92% | 0.916 | 66% | 0.655 | S | S | * | * | S | Bend | cis | -97 | 76 | -34.8 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1805 | P | 25.9 | Very low | 31.2 | Very low | 45 Ų | 45 | 105.2 Ų | 105.2 | 29% | 0.292 | 64% | 0.641 | S | S | . | * | trans | -130.5 | 73.8 | -156.2 | 34.8 | -9.7 | 0 | 0 | 0 | 107.9 | A1802 T1803 L1807 | A1802-P1805 WeakPolarHBondContact O-CG 3.48Å; T1803-P1805 VanDerWaalsContact CA-CD 3.42Å; P1805-L1807 VanDerWaalsContact CA-CB 3.45Å; P1805-L1807 HydrophobicContact CB-CB 4.03Å; P1805-L1807 HydrophobicContact CB-CD1 3.81Å; P1805-L1807 WeakPolarHBondContact O-CB 3.38Å; P1805-L1807 VanDerWaalsContact O-O 3.11Å | ||
| 1806 | A | 36 | Very low | 31.1 | Very low | 99 Ų | 99 | 107.3 Ų | 107.3 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | trans | -119.1 | 50.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1807 | L | 25.4 | Very low | 31 | Very low | 71 Ų | 71 | 106.6 Ų | 106.6 | 37% | 0.372 | 64% | 0.638 | S | S | . | * | cis | 50.5 | 137.7 | 23.9 | -112.9 | -179.9 | 0 | 0 | 0 | 113.2 | P1805 V1812 N1813 P1814 | P1805-L1807 VanDerWaalsContact CA-CB 3.45Å; P1805-L1807 HydrophobicContact CB-CB 4.03Å; P1805-L1807 HydrophobicContact CB-CD1 3.81Å; P1805-L1807 WeakPolarHBondContact O-CB 3.38Å; P1805-L1807 VanDerWaalsContact O-O 3.11Å; L1807-V1812 HydrophobicContact CD2-CG1 3.57Å; L1807-N1813 CarbonylContact C-O 3.6Å; L1807-N1813 VanDerWaalsContact CA-O 3.27Å; L1807-N1813 WeakPolarHBondContact CA-O 3.48Å; L1807-P1814 HydrophobicContact CD2-CG 4.45Å | ||
| 1808 | I | 27.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 106.6 Ų | 106.6 | 51% | 0.508 | 63% | 0.633 | S | S | . | * | trans | 53 | 91.2 | 162.1 | -37.5 | 178.9 | 0 | 0 | 0 | 114.5 | V1812 N1813 | I1808-V1812 HydrophobicContact CG1-CG1 4.2Å; I1808-V1812 HydrophobicContact CG1-CG2 4.09Å; I1808-V1812 HydrophobicContact CG2-CG2 4.33Å; I1808-N1813 PolarHBondContact N-O 3.39Å | ||
| 1809 | S | 36.6 | Very low | 31 | Very low | 81 Ų | 81 | 106 Ų | 106 | 57% | 0.566 | 63% | 0.628 | S | S | * | * | 170.7 | 143 | 54 | -122.6 | 0 | 0 | 0 | 0 | 108.1 | V1812 | S1809-V1812 PolarHBondContact OG-N 3.36Š| |||
| 1810 | S | 30.5 | Very low | 30.9 | Very low | 74 Ų | 74 | 106.5 Ų | 106.5 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | S | Bend | cis | 58.6 | -168.4 | 3.6 | -38.3 | 0 | 0 | 0 | 0 | 114.2 | N1813 | S1810-N1813 VanDerWaalsContact CB-N 3.3Å; S1810-N1813 VanDerWaalsContact OG-CG 3.29Å; S1810-N1813 PolarHBondContact OG-N 3.08Å; S1810-N1813 PolarHBondContact OG-OD1 2.85Å |
| 1811 | V | 37.9 | Very low | 31.1 | Very low | 138 Ų | 138 | 107.9 Ų | 107.9 | 84% | 0.836 | 63% | 0.633 | S | S | * | * | S | Bend | -92.6 | 110.7 | 120.2 | 171.4 | 0 | 0 | 0 | 0 | 103.9 | |||
| 1812 | V | 31.1 | Very low | 30.8 | Very low | 70 Ų | 70 | 109.2 Ų | 109.2 | 42% | 0.424 | 63% | 0.633 | S | S | . | * | trans | 43.1 | 83.6 | 172.9 | -162.4 | 0 | 0 | 0 | 0 | 116.6 | L1807 I1808 S1809 | L1807-V1812 HydrophobicContact CD2-CG1 3.57Å; I1808-V1812 HydrophobicContact CG1-CG1 4.2Å; I1808-V1812 HydrophobicContact CG1-CG2 4.09Å; I1808-V1812 HydrophobicContact CG2-CG2 4.33Å; S1809-V1812 PolarHBondContact OG-N 3.36Å | ||
| 1813 | N | 32.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 111 Ų | 111 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | trans | -60.4 | 138.5 | 136.1 | -79.8 | 17.8 | 0 | 0 | 0 | 105.8 | L1807 I1808 S1810 | L1807-N1813 CarbonylContact C-O 3.6Å; L1807-N1813 VanDerWaalsContact CA-O 3.27Å; L1807-N1813 WeakPolarHBondContact CA-O 3.48Å; I1808-N1813 PolarHBondContact N-O 3.39Å; S1810-N1813 VanDerWaalsContact CB-N 3.3Å; S1810-N1813 VanDerWaalsContact OG-CG 3.29Å; S1810-N1813 PolarHBondContact OG-N 3.08Å; S1810-N1813 PolarHBondContact OG-OD1 2.85Å | ||
| 1814 | P | 29.9 | Very low | 29.5 | Very low | 83 Ų | 83 | 115 Ų | 115 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | -102.1 | 148.3 | 88.2 | 32.7 | -37 | 0 | 0 | 0 | 112.1 | L1807 | L1807-P1814 HydrophobicContact CD2-CG 4.45Š| |||
| 1815 | V | 26.5 | Very low | 29.3 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | 70 | 119.1 | 50.5 | 165.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1816 | N | 28.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | cis | -137.8 | 153 | 4.1 | -99.5 | -4.4 | 0 | 0 | 0 | 110 | ||||
| 1817 | T | 29.1 | Very low | 28.6 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | 54.4 | 147.3 | 63.2 | 89.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1818 | N | 29.4 | Very low | 28.5 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | cis | -147.4 | 170 | 42 | -99.5 | 1.3 | 0 | 0 | 0 | 109.5 | ||||
| 1819 | E | 29.7 | Very low | 28.3 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 73% | 0.729 | 68% | 0.676 | S | S | * | * | cis | -152.7 | 160.7 | -6.1 | -129.8 | 151.8 | -171.3 | 0 | 0 | 113.7 | ||||
| 1820 | T | 25.5 | Very low | 27.7 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | trans | -50.1 | 155.1 | 177.2 | 58.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1821 | K | 29.5 | Very low | 27.3 | Very low | 215 Ų | 215 | 130.9 Ų | 130.9 | 94% | 0.935 | 69% | 0.693 | S | S | * | * | -148.5 | 157.8 | 121.8 | -111.4 | 165.3 | -173.2 | 173.5 | 0 | 111.2 | |||||
| 1822 | K | 28.3 | Very low | 27 | Very low | 198 Ų | 198 | 128.7 Ų | 128.7 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -107.8 | 159.1 | -168.5 | -75.4 | 178.3 | 177.4 | 172.9 | 0 | 113.1 | ||||
| 1823 | S | 25.7 | Very low | 26.6 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | trans | -6.8 | 150.1 | 136.1 | -124.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1824 | R | 24.6 | Very low | 27 | Very low | 219 Ų | 219 | 131.3 Ų | 131.3 | 83% | 0.826 | 71% | 0.709 | S | S | * | * | cis | -170.1 | 158.7 | 28 | -156.7 | 176.3 | -171.7 | 117.3 | -6.2 | 112.3 | ||||
| 1825 | S | 24.3 | Very low | 26.7 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | trans | 69.4 | 158 | 160.1 | -64 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1826 | S | 24.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 70.4 | 139 | 175.1 | -49.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1827 | M | 23.3 | Very low | 26.5 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | 48.6 | 120.3 | 65.5 | -72.3 | -161.3 | -65.3 | 0 | 0 | 110.9 | |||||
| 1828 | I | 24.8 | Very low | 26.5 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 65% | 0.646 | 75% | 0.745 | S | S | * | * | cis | -158.5 | 176.1 | 22.2 | -123.8 | 159.4 | 0 | 0 | 0 | 110.3 | ||||
| 1829 | E | 23.8 | Very low | 26.4 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | trans | 74.4 | 154.9 | 164.9 | -96.4 | 135.9 | -138.6 | 0 | 0 | 117 | ||||
| 1830 | L | 23.8 | Very low | 26.2 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | cis | -132.2 | 162.7 | 24.5 | -130 | 174.2 | 0 | 0 | 0 | 114.2 | ||||
| 1831 | I | 21 | Very low | 26.5 | Very low | 133 Ų | 133 | 139 Ų | 139 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | trans | -58.7 | 168.7 | 154.8 | -63.6 | 162 | 0 | 0 | 0 | 108.6 | C1833 | I1831-C1833 PolarHBondContact O-N 3Š| ||
| 1832 | S | 31 | Very low | 26.6 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | trans | -29.7 | 136.8 | 155.5 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1833 | C | 23.4 | Very low | 26.7 | Very low | 115 Ų | 115 | 130 Ų | 130 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | -117.9 | 150 | 66.4 | -70.4 | 0 | 0 | 0 | 0 | 116.2 | I1831 | I1831-C1833 PolarHBondContact O-N 3Š| |||
| 1834 | P | 40.5 | Very low | 27.2 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | 12.8 | 140.5 | 107.1 | -18 | -7.4 | 0 | 0 | 0 | 120.2 | |||||
| 1835 | N | 24.9 | Very low | 27.4 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -12.4 | 134.1 | 165.2 | -50.5 | -2.2 | 0 | 0 | 0 | 117.5 | ||||
| 1836 | K | 25.9 | Very low | 27.9 | Very low | 188 Ų | 188 | 129.5 Ų | 129.5 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | -172.1 | 160 | 105.2 | -103.9 | 167.2 | -176.6 | 179.5 | 0 | 115 | |||||
| 1837 | D | 24.6 | Very low | 28.2 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -6 | 151.4 | 132.9 | -73.6 | -52.3 | 0 | 0 | 0 | 117.3 | ||||
| 1838 | A | 27.7 | Very low | 28.5 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | cis | -178.1 | 171.6 | 3.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1839 | S | 28 | Very low | 28.5 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | cis | -172.5 | 173.2 | -23.1 | 59.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1840 | H | 25.9 | Very low | 28.9 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | trans | 66.8 | 164.4 | 159.5 | -66.7 | -39.2 | 0 | 0 | 0 | 119.4 | ||||
| 1841 | P | 30.9 | Very low | 29.2 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | cis | -106.6 | 173.4 | -6.3 | 40.2 | -31.3 | 0 | 0 | 0 | 113.2 | ||||
| 1842 | G | 31.6 | Very low | 29.5 | Very low | 55 Ų | 55 | 126.3 Ų | 126.3 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | cis | -155.4 | 144.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1843 | Q | 30.1 | Very low | 29.4 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | 71.3 | 141.3 | 93.8 | -65.3 | -173.7 | -2.9 | 0 | 0 | 112.9 | |||||
| 1844 | I | 36.3 | Very low | 29.6 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | cis | -141.2 | 133.1 | 36.7 | -71.7 | 170.7 | 0 | 0 | 0 | 111.9 | ||||
| 1845 | L | 30 | Very low | 28.9 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | 31.9 | 144.6 | 149.2 | -58.6 | 169.8 | 0 | 0 | 0 | 121.5 | ||||
| 1846 | S | 33.6 | Very low | 29.2 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | cis | -176.8 | -170.6 | -9.5 | 58.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1847 | S | 32.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | -158.9 | 176 | 6.8 | 56 | 0 | 0 | 0 | 0 | 110 | ||||
| 1848 | I | 28.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 122 Ų | 122 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | trans | 69.1 | 118.6 | 178.5 | -50.9 | 175.3 | 0 | 0 | 0 | 111.6 | ||||
| 1849 | P | 25.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | cis | -117.6 | -176.6 | 44.9 | 5.5 | 19.9 | 0 | 0 | 0 | 116.6 | ||||
| 1850 | P | 31.2 | Very low | 30.2 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -106.4 | -173.8 | -177.2 | 42 | -34.7 | 0 | 0 | 0 | 113.9 | ||||
| 1851 | P | 31 | Very low | 30.3 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | -132 | 176.6 | -40.3 | 34 | -15.3 | 0 | 0 | 0 | 115.9 | ||||
| 1852 | L | 27.2 | Very low | 30.1 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -42 | 144.1 | 174.4 | -85.5 | 57.4 | 0 | 0 | 0 | 117.8 | ||||
| 1853 | A | 27.8 | Very low | 29.9 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | 79.4 | 146.1 | 74.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1854 | S | 28.8 | Very low | 29.9 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | -150 | 138.4 | 38.5 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1855 | L | 24.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | 66 | 121.6 | 92.5 | -63.1 | 162.3 | 0 | 0 | 0 | 117.2 | |||||
| 1856 | T | 31.4 | Very low | 29.1 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | -170.3 | 129.9 | 84.7 | 25.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1857 | S | 25.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 54.4 | 141.8 | 145.9 | 52 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1858 | P | 36.2 | Very low | 28.5 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -131.5 | -179.3 | 178.2 | 45.6 | -32.7 | 0 | 0 | 0 | 117.3 | ||||
| 1859 | T | 27.1 | Very low | 29 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | 178.2 | 157.6 | 132.4 | 24.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1860 | P | 39.2 | Very low | 30.2 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -132.7 | 172.7 | -173.4 | 43.7 | -29.1 | 0 | 0 | 0 | 118.2 | ||||
| 1861 | Q | 26.5 | Very low | 31.6 | Very low | 201 Ų | 201 | 132 Ų | 132 | 94% | 0.939 | 76% | 0.756 | S | S | * | * | trans | -160.2 | 178.3 | 153.3 | -117.8 | 173.7 | 44.7 | 0 | 0 | 114.7 | ||||
| 1862 | S | 27.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -141 | 161.3 | -142.7 | 60.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1863 | K | 27.5 | Very low | 36.2 | Very low | 197 Ų | 197 | 122.7 Ų | 122.7 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | 147.6 | 161.8 | 138.1 | -87.9 | -176.6 | 177.2 | -176.9 | 0 | 113.8 | ||||
| 1864 | P | 29.8 | Very low | 38.8 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | cis | -125.7 | -163.8 | -8.5 | 39.2 | -21.4 | 0 | 0 | 0 | 113.9 | ||||
| 1865 | R | 25.1 | Very low | 41.4 | Very low | 225 Ų | 225 | 118.1 Ų | 118.1 | 85% | 0.849 | 66% | 0.657 | S | S | * | * | trans | -92.5 | 145.9 | 175.1 | -67 | 175.5 | 171 | 161.4 | -3.9 | 112.5 | ||||
| 1866 | E | 23.7 | Very low | 44.1 | Very low | 186 Ų | 186 | 112.5 Ų | 112.5 | 87% | 0.869 | 63% | 0.626 | S | S | * | * | 165.8 | 118 | 114 | -94 | 177.3 | -166.7 | 0 | 0 | 112.8 | |||||
| 1867 | N | 27.5 | Very low | 46.6 | Very low | 167 Ų | 167 | 113.5 Ų | 113.5 | 89% | 0.893 | 62% | 0.622 | S | S | * | * | trans | 179.4 | 133.5 | 144.5 | -105.1 | -11.8 | 0 | 0 | 0 | 110.2 | G1869 | N1867-G1869 PolarHBondContact O-N 3.43Š| ||
| 1868 | M | 26.6 | Very low | 49.4 | Very low | 164 Ų | 164 | 109.3 Ų | 109.3 | 81% | 0.808 | 60% | 0.597 | S | S | * | * | trans | -96.2 | 81.4 | 177.8 | -73.8 | -82.8 | -75.6 | 0 | 0 | 110.1 | ||||
| 1869 | G | 38.8 | Very low | 51.8 | Low | 47 Ų | 47 | 103.8 Ų | 103.8 | 49% | 0.485 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 141 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1867 C1871 | N1867-G1869 PolarHBondContact O-N 3.43Å; G1869-C1871 PolarHBondContact O-N 3.3Å |
| 1870 | A | 52.2 | Low | 54.5 | Low | 22 Ų | 22 | 101.1 Ų | 101.1 | 18% | 0.182 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 128.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q2306 L2343 | A1870-Q2306 VanDerWaalsContact N-OE1 3.12Å; A1870-Q2306 PolarHBondContact O-NE2 2.64Å; A1870-L2343 HydrophobicContact CB-CD1 4.11Å; A1870-L2343 HydrophobicContact CB-CD2 4Å; A1870-L2343 HydrophobicContact CB-CG 3.93Å |
| 1871 | C | 59.1 | Low | 56.9 | Low | 86 Ų | 86 | 96.5 Ų | 96.5 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.2 | -174.7 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | G1869 S1873 S2344 | G1869-C1871 PolarHBondContact O-N 3.3Å; C1871-S1873 PolarHBondContact O-N 3Å; C1871-S2344 PolarHBondContact O-N 2.71Å |
| 1872 | F | 75 | Confident | 59.9 | Low | 46 Ų | 46 | 92.9 Ų | 92.9 | 20% | 0.202 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 116.6 | 163.7 | -70.1 | -57.8 | 0 | 0 | 0 | 110.1 | L2295 I2308 Y2315 V2326 Y2341 L2343 | F1872-L2295 HydrophobicContact CE1-CD2 4.12Å; F1872-L2295 HydrophobicContact CZ-CD2 3.72Å; F1872-L2295 HydrophobicContact CZ-CG 4.4Å; F1872-I2308 HydrophobicContact CD2-CD1 3.95Å; F1872-I2308 HydrophobicContact CE2-CD1 3.5Å; F1872-I2308 HydrophobicContact CE2-CG2 4.16Å; F1872-I2308 HydrophobicContact CZ-CD1 4.13Å; F1872-Y2315 HydrophobicContact CD2-CE1 4.43Å; F1872-Y2315 HydrophobicContact CE2-CD1 4.48Å; F1872-Y2315 AromaticContact CE2-CE1 3.96Å; F1872-Y2315 HydrophobicContact CE2-CE1 3.96Å; F1872-Y2315 HydrophobicContact CZ-CD1 4.25Å; F1872-Y2315 HydrophobicContact CZ-CE1 4.17Å; F1872-V2326 HydrophobicContact CE1-CB 4.37Å; F1872-V2326 HydrophobicContact CE1-CG1 4.41Å; F1872-V2326 HydrophobicContact CE1-CG2 4.18Å; F1872-Y2341 HydrophobicContact CB-CD1 3.81Å; F1872-Y2341 HydrophobicContact CB-CG 4.27Å; F1872-L2343 HydrophobicContact CD1-CD1 3.6Å; F1872-L2343 HydrophobicContact CE1-CD1 3.68Å; F1872-L2343 HydrophobicContact CG-CD1 4.28Å; F1872-L2343 HydrophobicContact CZ-CD1 4.43Å |
| 1873 | S | 79.5 | Confident | 63 | Low | 41 Ų | 41 | 87.9 Ų | 87.9 | 29% | 0.287 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 108.9 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | C1871 V1875 Y2341 I2342 S2344 | C1871-S1873 PolarHBondContact O-N 3Å; S1873-V1875 PolarHBondContact O-N 2.71Å; S1873-Y2341 CarbonylContact O-C 3.5Å; S1873-Y2341 VanDerWaalsContact O-CA 3.3Å; S1873-Y2341 WeakPolarHBondContact O-CA 3.36Å; S1873-I2342 PolarHBondContact N-O 3.05Å; S1873-I2342 PolarHBondContact O-N 3.17Å; S1873-S2344 WeakPolarHBondContact CB-OG 3.21Å; S1873-S2344 WeakPolarHBondContact OG-CB 3.38Å; S1873-S2344 PolarHBondContact OG-OG 2.82Å |
| 1874 | L | 83.5 | Confident | 66.2 | Low | 82 Ų | 82 | 80.9 Ų | 80.9 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 126.4 | 178.9 | -177.4 | 67.5 | 0 | 0 | 0 | 110.1 | F1876 Q1877 N2339 Y2341 | L1874-F1876 WeakPolarHBondContact CD1-O 3.48Å; L1874-Q1877 HydrophobicContact CD2-CB 4.25Å; L1874-N2339 HydrophobicContact CD1-CB 3.93Å; L1874-Y2341 HydrophobicContact CB-CD1 3.91Å; L1874-Y2341 HydrophobicContact CB-CE1 3.86Å; L1874-Y2341 HydrophobicContact CD1-CD1 4.03Å; L1874-Y2341 HydrophobicContact CD1-CE1 3.66Å; L1874-Y2341 HydrophobicContact CD1-CE2 4.2Å; L1874-Y2341 HydrophobicContact CD1-CG 4.46Å; L1874-Y2341 HydrophobicContact CG-CE1 4.31Å |
| 1875 | V | 82.2 | Confident | 69.2 | Low | 19 Ų | 19 | 75.6 Ų | 75.6 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -17.1 | 179.2 | -64.7 | 0 | 0 | 0 | 0 | 113.9 | S1873 I1899 L1910 L1912 N1918 V2340 I2342 | S1873-V1875 PolarHBondContact O-N 2.71Å; V1875-I1899 HydrophobicContact CG2-CD1 4.41Å; V1875-L1910 HydrophobicContact CB-CD2 4.32Å; V1875-L1910 HydrophobicContact CG2-CD2 4.16Å; V1875-L1912 HydrophobicContact CB-CD2 4.08Å; V1875-L1912 HydrophobicContact CG1-CD2 3.96Å; V1875-N1918 PolarHBondContact O-ND2 3.23Å; V1875-V2340 HydrophobicContact CG2-CB 4.44Å; V1875-V2340 HydrophobicContact CG2-CG1 4.15Å; V1875-V2340 VanDerWaalsContact CG2-O 3.28Å; V1875-V2340 WeakPolarHBondContact CG2-O 3.35Å; V1875-V2340 PolarHBondContact N-O 3Å; V1875-I2342 HydrophobicContact CG1-CB 4.46Å; V1875-I2342 HydrophobicContact CG1-CD1 3.7Å; V1875-I2342 HydrophobicContact CG1-CG1 3.87Å; V1875-I2342 HydrophobicContact CG2-CD1 4.44Å; V1875-I2342 HydrophobicContact CG2-CG1 4.08Å |
| 1876 | F | 82.4 | Confident | 72.5 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 129.8 | 167.8 | -163.8 | -75 | 0 | 0 | 0 | 109.5 | L1874 C1879 L1910 N1918 L1920 N2339 V2340 | L1874-F1876 WeakPolarHBondContact CD1-O 3.48Å; F1876-C1879 HydrophobicContact CD1-CB 3.6Å; F1876-C1879 HydrophobicContact CE1-CB 3.82Å; F1876-C1879 HydrophobicContact CG-CB 4.49Å; F1876-L1910 HydrophobicContact CB-CD2 4.18Å; F1876-L1910 HydrophobicContact CD2-CD1 4.18Å; F1876-L1910 HydrophobicContact CD2-CD2 4.46Å; F1876-N1918 WeakPolarHBondContact CD2-O 3.45Å; F1876-N1918 WeakPolarHBondContact CE2-O 3.29Å; F1876-L1920 HydrophobicContact CD1-CD1 4.35Å; F1876-L1920 HydrophobicContact CD2-CD1 3.63Å; F1876-L1920 HydrophobicContact CD2-CG 3.69Å; F1876-L1920 HydrophobicContact CE1-CD1 4.23Å; F1876-L1920 HydrophobicContact CE2-CB 3.86Å; F1876-L1920 HydrophobicContact CE2-CD1 3.44Å; F1876-L1920 VanDerWaalsContact CE2-CD1 3.44Å; F1876-L1920 HydrophobicContact CE2-CG 3.48Å; F1876-L1920 VanDerWaalsContact CE2-CG 3.48Å; F1876-L1920 HydrophobicContact CG-CD1 4.09Å; F1876-L1920 HydrophobicContact CZ-CB 4.46Å; F1876-L1920 HydrophobicContact CZ-CD1 3.79Å; F1876-L1920 HydrophobicContact CZ-CG 4.25Å; F1876-N2339 CarbonylContact O-C 3.13Å; F1876-N2339 WeakPolarHBondContact O-CA 3.16Å; F1876-V2340 HydrophobicContact CB-CB 4.09Å; F1876-V2340 HydrophobicContact CB-CG2 4.36Å; F1876-V2340 PolarHBondContact N-O 3.48Å; F1876-V2340 VanDerWaalsContact N-O 3.14Å; F1876-V2340 PolarHBondContact O-N 2.87Å |
| 1877 | Q | 84.2 | Confident | 75.8 | Confident | 148 Ų | 148 | 56.8 Ų | 56.8 | 69% | 0.692 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.5 | 176.2 | -169.6 | 173.7 | -12.7 | 0 | 0 | 109.8 | L1874 N2339 | L1874-Q1877 HydrophobicContact CD2-CB 4.25Å; Q1877-N2339 WeakPolarHBondContact CA-OD1 3.46Å; Q1877-N2339 WeakPolarHBondContact CG-OD1 3.5Å |
| 1878 | G | 82.9 | Confident | 78.9 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.5 | 46.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1880 N2339 | G1878-P1880 VanDerWaalsContact O-CD 3.31Å; G1878-P1880 WeakPolarHBondContact O-CD 3.45Å; G1878-N2339 PolarHBondContact N-OD1 3.46Å |
| 1879 | C | 86.6 | Confident | 82 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 117.9 | 174.1 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | F1876 L1881 L1920 N2337 S2338 V2340 | F1876-C1879 HydrophobicContact CD1-CB 3.6Å; F1876-C1879 HydrophobicContact CE1-CB 3.82Å; F1876-C1879 HydrophobicContact CG-CB 4.49Å; C1879-L1881 PolarHBondContact O-N 2.96Å; C1879-L1920 WeakPolarHBondContact SG-CD1 3.36Å; C1879-N2337 CarbonylContact O-C 2.67Å; C1879-N2337 WeakPolarHBondContact O-CA 3.39Å; C1879-S2338 WeakPolarHBondContact CA-O 3.39Å; C1879-S2338 WeakPolarHBondContact CB-O 3.4Å; C1879-S2338 PolarHBondContact N-O 3.24Å; C1879-S2338 PolarHBondContact O-N 2.85Å; C1879-V2340 HydrophobicContact CB-CG2 4.23Å |
| 1880 | P | 85 | Confident | 84.3 | Confident | 85 Ų | 85 | 43.3 Ų | 43.3 | 55% | 0.552 | 24% | 0.242 | S | C | * | . | trans | -79.6 | -5.2 | 179.1 | 33.5 | -36.6 | 0 | 0 | 0 | 113.4 | G1878 N2337 | G1878-P1880 VanDerWaalsContact O-CD 3.31Å; G1878-P1880 WeakPolarHBondContact O-CD 3.45Å; P1880-N2337 WeakPolarHBondContact CA-OD1 2.99Å | ||
| 1881 | L | 89.4 | Confident | 85.9 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -83.7 | 132.3 | -172.5 | -52.9 | 176.9 | 0 | 0 | 0 | 111.1 | C1879 I1883 T1903 Y1908 L1920 | C1879-L1881 PolarHBondContact O-N 2.96Å; L1881-I1883 PolarHBondContact O-N 3.05Å; L1881-T1903 HydrophobicContact CB-CG2 3.8Å; L1881-T1903 HydrophobicContact CD1-CG2 4.06Å; L1881-Y1908 HydrophobicContact CD1-CD1 3.79Å; L1881-Y1908 HydrophobicContact CD1-CD2 3.71Å; L1881-Y1908 HydrophobicContact CD1-CE1 3.79Å; L1881-Y1908 HydrophobicContact CD1-CE2 3.73Å; L1881-Y1908 HydrophobicContact CD1-CG 3.75Å; L1881-Y1908 HydrophobicContact CD2-CE1 4.46Å; L1881-Y1908 HydrophobicContact CD2-CE2 4.23Å; L1881-L1920 HydrophobicContact CD1-CD1 4.14Å |
| 1882 | K | 89.7 | Confident | 87 | Confident | 126 Ų | 126 | 41 Ų | 41 | 55% | 0.548 | 22% | 0.223 | S | C | . | . | trans | -75.2 | 98.5 | 169.4 | -174.8 | 159.2 | -177.4 | 164.4 | 0 | 110.2 | T1903 N1904 | K1882-T1903 WeakPolarHBondContact O-CA 3.39Å; K1882-T1903 WeakPolarHBondContact O-CB 3.34Å; K1882-N1904 PolarHBondContact O-N 3.33Å; K1882-N1904 VanDerWaalsContact O-N 3.15Å | ||
| 1883 | I | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 125.5 | 179.9 | -53.4 | 163.6 | 0 | 0 | 0 | 109.9 | L1881 T1886 L1901 T1903 R2316 L2318 V2340 | L1881-I1883 PolarHBondContact O-N 3.05Å; I1883-T1886 HydrophobicContact CG2-CG2 3.69Å; I1883-L1901 HydrophobicContact CD1-CD1 3.87Å; I1883-L1901 HydrophobicContact CD1-CD2 4.27Å; I1883-L1901 HydrophobicContact CG1-CD1 4.18Å; I1883-L1901 HydrophobicContact CG2-CB 4.46Å; I1883-L1901 HydrophobicContact CG2-CD2 4.38Å; I1883-T1903 HydrophobicContact CG1-CG2 4.22Å; I1883-R2316 PolarHBondContact O-NH1 2.73Å; I1883-R2316 PolarHBondContact O-NH2 2.84Å; I1883-L2318 HydrophobicContact CB-CD1 4.36Å; I1883-L2318 HydrophobicContact CB-CD2 4.04Å; I1883-L2318 HydrophobicContact CD1-CD1 3.65Å; I1883-L2318 HydrophobicContact CG2-CD1 4.1Å; I1883-L2318 HydrophobicContact CG2-CD2 3.86Å; I1883-L2318 HydrophobicContact CG2-CG 4.49Å; I1883-V2340 HydrophobicContact CD1-CG2 3.95Å |
| 1884 | N | 93.1 | Very high | 87 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -31.8 | 177.6 | -59.8 | -44.9 | 0 | 0 | 0 | 112.3 | G1902 T1903 N1904 C1928 | N1884-G1902 PolarHBondContact N-O 2.73Å; N1884-T1903 VanDerWaalsContact ND2-C 3.33Å; N1884-T1903 PolarHBondContact ND2-O 2.75Å; N1884-N1904 PolarHBondContact ND2-N 3.39Å; N1884-N1904 PolarHBondContact ND2-OD1 2.91Å; N1884-C1928 WeakPolarHBondContact CB-O 3.32Å; N1884-C1928 PolarHBondContact ND2-O 3.45Å |
| 1885 | S | 93.2 | Very high | 86.8 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 155.7 | -177.1 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | G1902 L1929 W1930 L1931 | S1885-G1902 PolarHBondContact N-O 2.71Å; S1885-G1902 VanDerWaalsContact N-O 3.14Å; S1885-G1902 PolarHBondContact O-N 2.85Å; S1885-L1929 WeakPolarHBondContact CB-O 3.29Å; S1885-L1929 PolarHBondContact OG-O 3.21Å; S1885-W1930 VanDerWaalsContact OG-CA 3.3Å; S1885-W1930 WeakPolarHBondContact OG-CA 3.4Å; S1885-W1930 PolarHBondContact OG-N 2.88Å; S1885-L1931 PolarHBondContact OG-N 2.9Å |
| 1886 | T | 94.9 | Very high | 86.7 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.3 | 175.7 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | I1883 L1900 L1901 L2318 | I1883-T1886 HydrophobicContact CG2-CG2 3.69Å; T1886-L1900 VanDerWaalsContact CA-O 3.23Å; T1886-L1900 WeakPolarHBondContact CA-O 3.31Å; T1886-L1901 HydrophobicContact CG2-CD2 3.42Å; T1886-L1901 VanDerWaalsContact CG2-CD2 3.42Å; T1886-L2318 HydrophobicContact CG2-CB 3.74Å; T1886-L2318 HydrophobicContact CG2-CD1 4.33Å; T1886-L2318 PolarHBondContact N-O 3.22Å; T1886-L2318 PolarHBondContact OG1-O 2.8Å |
| 1887 | A | 93.6 | Very high | 86.8 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 155.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1900 L1931 V1933 | A1887-L1900 PolarHBondContact N-O 3.04Å; A1887-L1900 PolarHBondContact O-N 3.15Å; A1887-L1931 HydrophobicContact CB-CD1 3.39Å; A1887-V1933 HydrophobicContact CB-CG2 3.79Å |
| 1888 | T | 91.3 | Very high | 87.1 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 142 | 172.7 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | V1898 R2322 N2323 I2325 | T1888-V1898 CarbonylContact C-O 3.54Å; T1888-V1898 WeakPolarHBondContact CA-O 3.23Å; T1888-R2322 HydrophobicContact CG2-CB 4.5Å; T1888-R2322 WeakPolarHBondContact OG1-CB 3.15Å; T1888-R2322 WeakPolarHBondContact OG1-CD 3.26Å; T1888-N2323 HydrophobicContact CG2-CB 3.93Å; T1888-I2325 HydrophobicContact CG2-CD1 4.15Å |
| 1889 | W | 92.1 | Very high | 87.4 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159 | 170.9 | 177.3 | 61.3 | 0 | 0 | 0 | 110.1 | N1891 P1892 V1898 L1900 V1933 R1935 D1936 L1953 V1954 M1957 | W1889-N1891 HydrophobicContact CE3-CB 4.05Å; W1889-N1891 HydrophobicContact CH2-CB 3.89Å; W1889-N1891 HydrophobicContact CZ2-CB 4.49Å; W1889-N1891 HydrophobicContact CZ3-CB 3.62Å; W1889-P1892 HydrophobicContact CZ2-CG 4.16Å; W1889-V1898 HydrophobicContact CE3-CB 4.08Å; W1889-V1898 HydrophobicContact CE3-CG1 4.45Å; W1889-V1898 HydrophobicContact CE3-CG2 4Å; W1889-V1898 HydrophobicContact CZ3-CG2 4.4Å; W1889-V1898 PolarHBondContact N-O 3Å; W1889-V1898 PolarHBondContact O-N 3.4Å; W1889-L1900 HydrophobicContact CB-CD1 4.07Å; W1889-V1933 HydrophobicContact CB-CG1 4.25Å; W1889-V1933 HydrophobicContact CG-CG1 4.29Å; W1889-R1935 VanDerWaalsContact CD1-O 3.23Å; W1889-R1935 PolarHBondContact NE1-O 3.22Å; W1889-D1936 PolarHBondContact NE1-OD1 3.31Å; W1889-L1953 HydrophobicContact CB-CD1 4.17Å; W1889-L1953 HydrophobicContact CD2-CB 4.23Å; W1889-L1953 HydrophobicContact CD2-CD1 3.61Å; W1889-L1953 HydrophobicContact CD2-CG 4.48Å; W1889-L1953 HydrophobicContact CE3-CB 4.43Å; W1889-L1953 HydrophobicContact CE3-CD1 4.26Å; W1889-L1953 HydrophobicContact CG-CD1 3.57Å; W1889-L1953 HydrophobicContact CH2-CB 3.74Å; W1889-L1953 HydrophobicContact CZ2-CB 3.46Å; W1889-L1953 VanDerWaalsContact CZ2-CB 3.46Å; W1889-L1953 HydrophobicContact CZ2-CD1 4.26Å; W1889-L1953 HydrophobicContact CZ2-CG 4.5Å; W1889-L1953 HydrophobicContact CZ3-CB 4.23Å; W1889-V1954 HydrophobicContact CH2-CG2 4.45Å; W1889-V1954 HydrophobicContact CZ2-CG2 3.96Å; W1889-M1957 HydrophobicContact CH2-CG 3.82Å; W1889-M1957 HydrophobicContact CZ3-CG 3.66Å; W1889-M1957 HydrophobicContact CZ3-SD 4.37Å |
| 1890 | I | 88.3 | Confident | 87.8 | Confident | 74 Ų | 74 | 36.2 Ų | 36.2 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.8 | 171.6 | -63.4 | 170.9 | 0 | 0 | 0 | 105.9 | P1892 G1896 Q1897 | I1890-P1892 WeakPolarHBondContact O-CD 3.48Å; I1890-G1896 WeakPolarHBondContact CA-O 3.38Å; I1890-Q1897 HydrophobicContact CG1-CG 4.39Å |
| 1891 | N | 85 | Confident | 88.3 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | trans | -69.3 | 117.8 | -172 | 175.4 | 1.6 | 0 | 0 | 0 | 110.8 | K64 W1889 A1893 N1894 N1895 G1896 V1898 | K64-N1891 PolarHBondContact NZ-O 3.24Å; W1889-N1891 HydrophobicContact CE3-CB 4.05Å; W1889-N1891 HydrophobicContact CH2-CB 3.89Å; W1889-N1891 HydrophobicContact CZ2-CB 4.49Å; W1889-N1891 HydrophobicContact CZ3-CB 3.62Å; N1891-A1893 PolarHBondContact O-N 2.8Å; N1891-A1893 WeakPolarHBondContact OD1-CB 3.31Å; N1891-A1893 PolarHBondContact OD1-N 2.55Å; N1891-N1894 VanDerWaalsContact CB-OD1 3.3Å; N1891-N1894 WeakPolarHBondContact CB-OD1 3.47Å; N1891-N1894 PolarHBondContact ND2-OD1 3.03Å; N1891-N1894 VanDerWaalsContact ND2-OD1 3.09Å; N1891-N1894 PolarHBondContact O-N 2.9Å; N1891-N1895 WeakPolarHBondContact O-CA 3.41Å; N1891-N1895 PolarHBondContact O-N 2.95Å; N1891-G1896 PolarHBondContact N-O 2.88Å; N1891-V1898 HydrophobicContact CB-CG2 4.16Å | ||
| 1892 | P | 82.6 | Confident | 88.6 | Confident | 45 Ų | 45 | 31.3 Ų | 31.3 | 29% | 0.292 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 11.8 | -178.5 | 37.3 | -39.4 | 0 | 0 | 0 | 113.1 | K64 W1889 I1890 D1936 V1954 | K64-P1892 HydrophobicContact CD-CB 4.45Å; K64-P1892 WeakPolarHBondContact CD-O 3.44Å; K64-P1892 VanDerWaalsContact CE-C 3.45Å; K64-P1892 WeakPolarHBondContact CE-O 3.34Å; K64-P1892 PolarHBondContact NZ-O 2.74Å; W1889-P1892 HydrophobicContact CZ2-CG 4.16Å; I1890-P1892 WeakPolarHBondContact O-CD 3.48Å; P1892-D1936 WeakPolarHBondContact CD-OD1 3.27Å; P1892-D1936 WeakPolarHBondContact CG-OD1 3.23Å; P1892-V1954 HydrophobicContact CG-CG2 3.34Å |
| 1893 | A | 75.9 | Confident | 88.9 | Confident | 39 Ų | 39 | 25.3 Ų | 25.3 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -64.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K64 N1891 | K64-A1893 WeakPolarHBondContact CE-O 3.28Å; K64-A1893 PolarHBondContact NZ-O 3.28Å; N1891-A1893 PolarHBondContact O-N 2.8Å; N1891-A1893 WeakPolarHBondContact OD1-CB 3.31Å; N1891-A1893 PolarHBondContact OD1-N 2.55Å |
| 1894 | N | 78.7 | Confident | 88.9 | Confident | 86 Ų | 86 | 27.8 Ų | 27.8 | 46% | 0.46 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -1.5 | -171.6 | 68.5 | -2.8 | 0 | 0 | 0 | 116.7 | N1891 G1896 Q1911 | N1891-N1894 VanDerWaalsContact CB-OD1 3.3Å; N1891-N1894 WeakPolarHBondContact CB-OD1 3.47Å; N1891-N1894 PolarHBondContact ND2-OD1 3.03Å; N1891-N1894 VanDerWaalsContact ND2-OD1 3.09Å; N1891-N1894 PolarHBondContact O-N 2.9Å; N1894-G1896 PolarHBondContact O-N 2.96Å; N1894-G1896 VanDerWaalsContact O-N 3.11Å; N1894-G1896 PolarHBondContact OD1-N 2.76Å; N1894-Q1911 PolarHBondContact ND2-OE1 3.09Å |
| 1895 | N | 78.9 | Confident | 88.9 | Confident | 89 Ų | 89 | 29.5 Ų | 29.5 | 48% | 0.476 | 17% | 0.165 | S | C | . | . | trans | 59.4 | 12 | -171.2 | -87.7 | 12.9 | 0 | 0 | 0 | 114.3 | K64 N1891 | K64-N1895 PolarHBondContact NZ-OD1 2.6Å; N1891-N1895 WeakPolarHBondContact O-CA 3.41Å; N1891-N1895 PolarHBondContact O-N 2.95Å | ||
| 1896 | G | 80.9 | Confident | 88.9 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | trans | -63.6 | 136.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1890 N1891 N1894 | I1890-G1896 WeakPolarHBondContact CA-O 3.38Å; N1891-G1896 PolarHBondContact N-O 2.88Å; N1894-G1896 PolarHBondContact O-N 2.96Å; N1894-G1896 VanDerWaalsContact O-N 3.11Å; N1894-G1896 PolarHBondContact OD1-N 2.76Å | ||
| 1897 | Q | 84.9 | Confident | 89 | Confident | 78 Ų | 78 | 28.4 Ų | 28.4 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 137 | 162.7 | -68.8 | -169.3 | 9.5 | 0 | 0 | 108.6 | I1890 L1912 N2323 | I1890-Q1897 HydrophobicContact CG1-CG 4.39Å; Q1897-L1912 HydrophobicContact CB-CB 4.28Å; Q1897-L1912 HydrophobicContact CB-CD1 3.97Å; Q1897-L1912 HydrophobicContact CB-CG 4.49Å; Q1897-L1912 PolarHBondContact O-N 2.83Å; Q1897-N2323 PolarHBondContact OE1-ND2 2.77Å; Q1897-N2323 VanDerWaalsContact OE1-ND2 3.17Å |
| 1898 | V | 88.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.3 | -178.2 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | T1888 W1889 N1891 C1909 L1910 Q1911 | T1888-V1898 CarbonylContact C-O 3.54Å; T1888-V1898 WeakPolarHBondContact CA-O 3.23Å; W1889-V1898 HydrophobicContact CE3-CB 4.08Å; W1889-V1898 HydrophobicContact CE3-CG1 4.45Å; W1889-V1898 HydrophobicContact CE3-CG2 4Å; W1889-V1898 HydrophobicContact CZ3-CG2 4.4Å; W1889-V1898 PolarHBondContact N-O 3Å; W1889-V1898 PolarHBondContact O-N 3.4Å; N1891-V1898 HydrophobicContact CB-CG2 4.16Å; V1898-C1909 HydrophobicContact CG1-CB 3.65Å; V1898-L1910 CarbonylContact C-O 3.56Å; V1898-L1910 WeakPolarHBondContact CA-O 3.49Å; V1898-Q1911 HydrophobicContact CG2-CG 4.28Å |
| 1899 | I | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 133.9 | 165 | -70.1 | 177.7 | 0 | 0 | 0 | 107.9 | V1875 L1901 C1909 L1910 L1912 I2325 I2342 | V1875-I1899 HydrophobicContact CG2-CD1 4.41Å; I1899-L1901 HydrophobicContact CG2-CD2 3.48Å; I1899-L1901 VanDerWaalsContact CG2-CD2 3.48Å; I1899-L1901 HydrophobicContact CG2-CG 4.2Å; I1899-C1909 CarbonylContact O-C 3.43Å; I1899-C1909 VanDerWaalsContact O-CA 3.27Å; I1899-C1909 WeakPolarHBondContact O-CA 3.27Å; I1899-L1910 HydrophobicContact CB-CB 4.43Å; I1899-L1910 PolarHBondContact N-O 3.45Å; I1899-L1910 PolarHBondContact O-N 3.5Å; I1899-L1912 HydrophobicContact CD1-CD1 4.21Å; I1899-L1912 HydrophobicContact CD1-CD2 4.16Å; I1899-L1912 HydrophobicContact CG1-CD1 4.17Å; I1899-I2325 HydrophobicContact CD1-CD1 3.78Å; I1899-I2325 HydrophobicContact CD1-CG1 4.06Å; I1899-I2325 HydrophobicContact CG1-CD1 3.89Å; I1899-I2325 HydrophobicContact CG2-CD1 3.94Å; I1899-I2342 HydrophobicContact CD1-CD1 3.8Å; I1899-I2342 HydrophobicContact CD1-CG1 3.93Å |
| 1900 | L | 94.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.7 | 173 | -67 | 161.3 | 0 | 0 | 0 | 108.3 | T1886 A1887 W1889 Y1908 C1909 L1923 L1931 V1933 L1953 | T1886-L1900 VanDerWaalsContact CA-O 3.23Å; T1886-L1900 WeakPolarHBondContact CA-O 3.31Å; A1887-L1900 PolarHBondContact N-O 3.04Å; A1887-L1900 PolarHBondContact O-N 3.15Å; W1889-L1900 HydrophobicContact CB-CD1 4.07Å; L1900-Y1908 CarbonylContact C-O 3.47Å; L1900-Y1908 WeakPolarHBondContact CA-O 3.33Å; L1900-C1909 HydrophobicContact CD2-CB 3.84Å; L1900-L1923 HydrophobicContact CD2-CD1 3.73Å; L1900-L1931 HydrophobicContact CB-CD1 4.44Å; L1900-L1931 HydrophobicContact CB-CD2 4.47Å; L1900-V1933 HydrophobicContact CD1-CG2 3.65Å; L1900-L1953 HydrophobicContact CD1-CD1 4.02Å; L1900-L1953 HydrophobicContact CD1-CD2 3.83Å; L1900-L1953 HydrophobicContact CD2-CD2 4.17Å |
| 1901 | L | 94.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.5 | 177.9 | -52.9 | -176.4 | 0 | 0 | 0 | 109.3 | I1883 T1886 I1899 T1903 I1907 Y1908 L1920 | I1883-L1901 HydrophobicContact CD1-CD1 3.87Å; I1883-L1901 HydrophobicContact CD1-CD2 4.27Å; I1883-L1901 HydrophobicContact CG1-CD1 4.18Å; I1883-L1901 HydrophobicContact CG2-CB 4.46Å; I1883-L1901 HydrophobicContact CG2-CD2 4.38Å; T1886-L1901 HydrophobicContact CG2-CD2 3.42Å; T1886-L1901 VanDerWaalsContact CG2-CD2 3.42Å; I1899-L1901 HydrophobicContact CG2-CD2 3.48Å; I1899-L1901 VanDerWaalsContact CG2-CD2 3.48Å; I1899-L1901 HydrophobicContact CG2-CG 4.2Å; L1901-T1903 HydrophobicContact CB-CG2 4.08Å; L1901-I1907 CarbonylContact O-C 3.51Å; L1901-I1907 WeakPolarHBondContact O-CA 3.31Å; L1901-Y1908 PolarHBondContact N-O 3.02Å; L1901-Y1908 PolarHBondContact O-N 2.85Å; L1901-L1920 HydrophobicContact CD1-CD1 3.96Å; L1901-L1920 HydrophobicContact CD1-CD2 3.55Å; L1901-L1920 HydrophobicContact CD1-CG 4.43Å; L1901-L1920 HydrophobicContact CG-CD2 4.21Å |
| 1902 | G | 95.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 112.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | N1884 S1885 | N1884-G1902 PolarHBondContact N-O 2.73Å; S1885-G1902 PolarHBondContact N-O 2.71Å; S1885-G1902 VanDerWaalsContact N-O 3.14Å; S1885-G1902 PolarHBondContact O-N 2.85Å |
| 1903 | T | 95.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 179.1 | -173 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | L1881 K1882 I1883 N1884 L1901 D1905 G1906 Y1908 C1928 | L1881-T1903 HydrophobicContact CB-CG2 3.8Å; L1881-T1903 HydrophobicContact CD1-CG2 4.06Å; K1882-T1903 WeakPolarHBondContact O-CA 3.39Å; K1882-T1903 WeakPolarHBondContact O-CB 3.34Å; I1883-T1903 HydrophobicContact CG1-CG2 4.22Å; N1884-T1903 VanDerWaalsContact ND2-C 3.33Å; N1884-T1903 PolarHBondContact ND2-O 2.75Å; L1901-T1903 HydrophobicContact CB-CG2 4.08Å; T1903-D1905 PolarHBondContact O-N 2.9Å; T1903-D1905 PolarHBondContact OG1-N 3.38Å; T1903-G1906 PolarHBondContact N-O 2.86Å; T1903-G1906 PolarHBondContact OG1-N 2.86Å; T1903-G1906 PolarHBondContact OG1-O 3.43Å; T1903-Y1908 HydrophobicContact CG2-CD2 4.15Å; T1903-C1928 PolarHBondContact O-N 2.83Å |
| 1904 | N | 93 | Very high | 86.4 | Confident | 53 Ų | 53 | 35.2 Ų | 35.2 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -65.7 | -24.9 | 171.7 | -86.4 | -12.5 | 0 | 0 | 0 | 114 | K1882 N1884 R1927 | K1882-N1904 PolarHBondContact O-N 3.33Å; K1882-N1904 VanDerWaalsContact O-N 3.15Å; N1884-N1904 PolarHBondContact ND2-N 3.39Å; N1884-N1904 PolarHBondContact ND2-OD1 2.91Å; N1904-R1927 WeakPolarHBondContact O-CA 3.39Å; N1904-R1927 WeakPolarHBondContact O-CB 3.42Å; N1904-R1927 PolarHBondContact O-N 3.07Å; N1904-R1927 PolarHBondContact OD1-NE 3.45Å |
| 1905 | D | 92.2 | Very high | 84.6 | Confident | 85 Ų | 85 | 35.2 Ų | 35.2 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -96.6 | -31.4 | -174.1 | -38.8 | -67.9 | 0 | 0 | 0 | 111.8 | T1903 Y1908 R1926 | T1903-D1905 PolarHBondContact O-N 2.9Å; T1903-D1905 PolarHBondContact OG1-N 3.38Å; D1905-Y1908 HydrophobicContact CB-CE2 4.41Å; D1905-R1926 PolarHBondContact O-N 3.25Å |
| 1906 | G | 94.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -174.9 | -165.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1903 F1924 R1926 | T1903-G1906 PolarHBondContact N-O 2.86Å; T1903-G1906 PolarHBondContact OG1-N 2.86Å; T1903-G1906 PolarHBondContact OG1-O 3.43Å; G1906-F1924 CarbonylContact C-O 3.47Å; G1906-F1924 WeakPolarHBondContact CA-O 3.49Å; G1906-R1926 VanDerWaalsContact CA-O 3.3Å; G1906-R1926 WeakPolarHBondContact CA-O 3.34Å | ||
| 1907 | I | 97.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.3 | 161.9 | -50.7 | 177.4 | 0 | 0 | 0 | 107.3 | L1901 L1923 F1924 C1928 L1931 M1938 | L1901-I1907 CarbonylContact O-C 3.51Å; L1901-I1907 WeakPolarHBondContact O-CA 3.31Å; I1907-L1923 WeakPolarHBondContact O-CA 3.45Å; I1907-L1923 WeakPolarHBondContact O-CB 3.3Å; I1907-L1923 PolarHBondContact O-N 2.93Å; I1907-F1924 HydrophobicContact CB-CB 4.08Å; I1907-F1924 HydrophobicContact CD1-CB 4.29Å; I1907-F1924 HydrophobicContact CD1-CD1 4.13Å; I1907-F1924 HydrophobicContact CG1-CB 4.23Å; I1907-F1924 HydrophobicContact CG1-CD1 4.41Å; I1907-F1924 PolarHBondContact N-O 2.77Å; I1907-F1924 PolarHBondContact O-N 3.32Å; I1907-F1924 VanDerWaalsContact O-N 3.1Å; I1907-C1928 HydrophobicContact CD1-CB 4.16Å; I1907-C1928 HydrophobicContact CG1-CB 3.61Å; I1907-L1931 HydrophobicContact CD1-CD2 4.27Å; I1907-L1931 HydrophobicContact CG1-CD2 4.32Å; I1907-L1931 HydrophobicContact CG2-CD2 3.58Å; I1907-M1938 HydrophobicContact CD1-CE 3.99Å; I1907-M1938 HydrophobicContact CD1-SD 3.65Å; I1907-M1938 HydrophobicContact CG2-CE 3.79Å; I1907-M1938 HydrophobicContact CG2-SD 4.45Å |
| 1908 | Y | 94.3 | Very high | 79.8 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 158.9 | 179.2 | -69.4 | -109.4 | 0 | 0 | 0 | 110.4 | L1881 L1900 L1901 T1903 D1905 L1920 E1921 L1922 | L1881-Y1908 HydrophobicContact CD1-CD1 3.79Å; L1881-Y1908 HydrophobicContact CD1-CD2 3.71Å; L1881-Y1908 HydrophobicContact CD1-CE1 3.79Å; L1881-Y1908 HydrophobicContact CD1-CE2 3.73Å; L1881-Y1908 HydrophobicContact CD1-CG 3.75Å; L1881-Y1908 HydrophobicContact CD2-CE1 4.46Å; L1881-Y1908 HydrophobicContact CD2-CE2 4.23Å; L1900-Y1908 CarbonylContact C-O 3.47Å; L1900-Y1908 WeakPolarHBondContact CA-O 3.33Å; L1901-Y1908 PolarHBondContact N-O 3.02Å; L1901-Y1908 PolarHBondContact O-N 2.85Å; T1903-Y1908 HydrophobicContact CG2-CD2 4.15Å; D1905-Y1908 HydrophobicContact CB-CE2 4.41Å; Y1908-L1920 HydrophobicContact CD1-CB 4.29Å; Y1908-E1921 CarbonylContact C-O 3.56Å; Y1908-E1921 VanDerWaalsContact CA-O 3.26Å; Y1908-E1921 WeakPolarHBondContact CA-O 3.29Å; Y1908-L1922 HydrophobicContact CD1-CB 4.03Å; Y1908-L1922 HydrophobicContact CD2-CD1 4.03Å; Y1908-L1922 HydrophobicContact CE1-CB 3.78Å; Y1908-L1922 HydrophobicContact CE1-CD1 4.29Å; Y1908-L1922 HydrophobicContact CE2-CD1 3.7Å; Y1908-L1922 HydrophobicContact CG-CD1 4.43Å |
| 1909 | C | 92.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.7 | 166.6 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | V1898 I1899 L1900 E1921 L1923 | V1898-C1909 HydrophobicContact CG1-CB 3.65Å; I1899-C1909 CarbonylContact O-C 3.43Å; I1899-C1909 VanDerWaalsContact O-CA 3.27Å; I1899-C1909 WeakPolarHBondContact O-CA 3.27Å; L1900-C1909 HydrophobicContact CD2-CB 3.84Å; C1909-E1921 PolarHBondContact N-O 2.96Å; C1909-E1921 PolarHBondContact O-N 2.96Å; C1909-L1923 HydrophobicContact CB-CD1 3.76Å; C1909-L1923 HydrophobicContact CB-CG 4.17Å |
| 1910 | L | 87.6 | Confident | 78.4 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.9 | 171.1 | 176.6 | 63.2 | 0 | 0 | 0 | 108 | V1875 F1876 V1898 I1899 L1912 N1918 L1920 | V1875-L1910 HydrophobicContact CB-CD2 4.32Å; V1875-L1910 HydrophobicContact CG2-CD2 4.16Å; F1876-L1910 HydrophobicContact CB-CD2 4.18Å; F1876-L1910 HydrophobicContact CD2-CD1 4.18Å; F1876-L1910 HydrophobicContact CD2-CD2 4.46Å; V1898-L1910 CarbonylContact C-O 3.56Å; V1898-L1910 WeakPolarHBondContact CA-O 3.49Å; I1899-L1910 HydrophobicContact CB-CB 4.43Å; I1899-L1910 PolarHBondContact N-O 3.45Å; I1899-L1910 PolarHBondContact O-N 3.5Å; L1910-L1912 HydrophobicContact CD2-CD2 4.49Å; L1910-N1918 HydrophobicContact CD1-CB 4.21Å; L1910-L1920 HydrophobicContact CB-CD2 3.87Å |
| 1911 | Q | 82.2 | Confident | 78 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.7 | 179.9 | -61.2 | -169.2 | 57.9 | 0 | 0 | 110.2 | N1894 V1898 K1913 E1921 | N1894-Q1911 PolarHBondContact ND2-OE1 3.09Å; V1898-Q1911 HydrophobicContact CG2-CG 4.28Å; Q1911-K1913 PolarHBondContact O-N 3.4Å; Q1911-E1921 PolarHBondContact NE2-OE2 2.93Å |
| 1912 | L | 77.8 | Confident | 77.8 | Confident | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -80.1 | 4.4 | -176 | -58.4 | 178 | 0 | 0 | 0 | 113.8 | V1875 Q1897 I1899 L1910 I2342 | V1875-L1912 HydrophobicContact CB-CD2 4.08Å; V1875-L1912 HydrophobicContact CG1-CD2 3.96Å; Q1897-L1912 HydrophobicContact CB-CB 4.28Å; Q1897-L1912 HydrophobicContact CB-CD1 3.97Å; Q1897-L1912 HydrophobicContact CB-CG 4.49Å; Q1897-L1912 PolarHBondContact O-N 2.83Å; I1899-L1912 HydrophobicContact CD1-CD1 4.21Å; I1899-L1912 HydrophobicContact CD1-CD2 4.16Å; I1899-L1912 HydrophobicContact CG1-CD1 4.17Å; L1910-L1912 HydrophobicContact CD2-CD2 4.49Å; L1912-I2342 HydrophobicContact CD1-CD1 3.49Å; L1912-I2342 VanDerWaalsContact CD1-CD1 3.49Å; L1912-I2342 HydrophobicContact CD2-CD1 4.02Å; L1912-I2342 HydrophobicContact CG-CD1 4.42Å |
| 1913 | K | 66.7 | Low | 77.7 | Confident | 142 Ų | 142 | 53.8 Ų | 53.8 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -149.6 | 126.3 | 177.9 | -65.4 | -169.8 | 177.3 | -174 | 0 | 110.4 | Q1911 | Q1911-K1913 PolarHBondContact O-N 3.4Š|
| 1914 | G | 51.9 | Low | 77.6 | Confident | 79 Ų | 79 | 55 Ų | 55 | 81% | 0.814 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 104.4 | 16.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1915 | L | 42.6 | Very low | 77.7 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | trans | -125.4 | 145.9 | 163.8 | -69.9 | 171.9 | 0 | 0 | 0 | 109.1 | E1917 | L1915-E1917 WeakPolarHBondContact CB-O 3.48Å; L1915-E1917 PolarHBondContact O-N 2.98Å | ||
| 1916 | S | 41.3 | Very low | 77.7 | Confident | 130 Ų | 130 | 57.9 Ų | 57.9 | 91% | 0.909 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -77.2 | -6 | 176.3 | 45.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1917 | E | 48.1 | Very low | 77.8 | Confident | 147 Ų | 147 | 63.1 Ų | 63.1 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -133.6 | 133.8 | 174.8 | -63.8 | 176.9 | 157 | 0 | 0 | 108.6 | L1915 S1919 | L1915-E1917 WeakPolarHBondContact CB-O 3.48Å; L1915-E1917 PolarHBondContact O-N 2.98Å; E1917-S1919 PolarHBondContact O-N 2.88Å; E1917-S1919 PolarHBondContact O-OG 2.83Å |
| 1918 | N | 54.6 | Low | 77.8 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | trans | -73.5 | 65.4 | 178.4 | -73.6 | -33.1 | 0 | 0 | 0 | 111 | V1875 F1876 L1910 | V1875-N1918 PolarHBondContact O-ND2 3.23Å; F1876-N1918 WeakPolarHBondContact CD2-O 3.45Å; F1876-N1918 WeakPolarHBondContact CE2-O 3.29Å; L1910-N1918 HydrophobicContact CD1-CB 4.21Å | ||
| 1919 | S | 67.1 | Low | 77.9 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | trans | -79.4 | 139.1 | -174.8 | 45.4 | 0 | 0 | 0 | 0 | 113.1 | E1917 | E1917-S1919 PolarHBondContact O-N 2.88Å; E1917-S1919 PolarHBondContact O-OG 2.83Å | ||
| 1920 | L | 81.3 | Confident | 78 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | trans | -96.9 | 114.5 | 176 | -94 | 170.3 | 0 | 0 | 0 | 110.9 | F1876 C1879 L1881 L1901 Y1908 L1910 | F1876-L1920 HydrophobicContact CD1-CD1 4.35Å; F1876-L1920 HydrophobicContact CD2-CD1 3.63Å; F1876-L1920 HydrophobicContact CD2-CG 3.69Å; F1876-L1920 HydrophobicContact CE1-CD1 4.23Å; F1876-L1920 HydrophobicContact CE2-CB 3.86Å; F1876-L1920 HydrophobicContact CE2-CD1 3.44Å; F1876-L1920 VanDerWaalsContact CE2-CD1 3.44Å; F1876-L1920 HydrophobicContact CE2-CG 3.48Å; F1876-L1920 VanDerWaalsContact CE2-CG 3.48Å; F1876-L1920 HydrophobicContact CG-CD1 4.09Å; F1876-L1920 HydrophobicContact CZ-CB 4.46Å; F1876-L1920 HydrophobicContact CZ-CD1 3.79Å; F1876-L1920 HydrophobicContact CZ-CG 4.25Å; C1879-L1920 WeakPolarHBondContact SG-CD1 3.36Å; L1881-L1920 HydrophobicContact CD1-CD1 4.14Å; L1901-L1920 HydrophobicContact CD1-CD1 3.96Å; L1901-L1920 HydrophobicContact CD1-CD2 3.55Å; L1901-L1920 HydrophobicContact CD1-CG 4.43Å; L1901-L1920 HydrophobicContact CG-CD2 4.21Å; Y1908-L1920 HydrophobicContact CD1-CB 4.29Å; L1910-L1920 HydrophobicContact CB-CD2 3.87Å | ||
| 1921 | E | 86.6 | Confident | 78.5 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119 | -166.8 | -34.3 | -170.2 | 111.6 | 0 | 0 | 111.3 | Y1908 C1909 Q1911 L1923 K1960 | Y1908-E1921 CarbonylContact C-O 3.56Å; Y1908-E1921 VanDerWaalsContact CA-O 3.26Å; Y1908-E1921 WeakPolarHBondContact CA-O 3.29Å; C1909-E1921 PolarHBondContact N-O 2.96Å; C1909-E1921 PolarHBondContact O-N 2.96Å; Q1911-E1921 PolarHBondContact NE2-OE2 2.93Å; E1921-L1923 PolarHBondContact O-N 2.87Å; E1921-K1960 WeakPolarHBondContact OE1-CE 3.4Å; E1921-K1960 IonicContact OE1-NZ 2.7Å; E1921-K1960 PolarHBondContact OE1-NZ 2.86Å; E1921-K1960 WeakPolarHBondContact OE2-CE 3.19Å; E1921-K1960 IonicContact OE2-NZ 3.74Å; E1921-K1960 PolarHBondContact OE2-NZ 2.81Å |
| 1922 | L | 91.8 | Very high | 79.1 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 118.2 | -178.6 | 178.2 | 58.7 | 0 | 0 | 0 | 111.9 | Y1908 P1925 | Y1908-L1922 HydrophobicContact CD1-CB 4.03Å; Y1908-L1922 HydrophobicContact CD2-CD1 4.03Å; Y1908-L1922 HydrophobicContact CE1-CB 3.78Å; Y1908-L1922 HydrophobicContact CE1-CD1 4.29Å; Y1908-L1922 HydrophobicContact CE2-CD1 3.7Å; Y1908-L1922 HydrophobicContact CG-CD1 4.43Å; L1922-P1925 HydrophobicContact CD2-CB 4.25Å |
| 1923 | L | 93.1 | Very high | 79.9 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -39.1 | 176.4 | -63.7 | -176.7 | 0 | 0 | 0 | 113.3 | L1900 I1907 C1909 E1921 L1956 M1957 K1960 | L1900-L1923 HydrophobicContact CD2-CD1 3.73Å; I1907-L1923 WeakPolarHBondContact O-CA 3.45Å; I1907-L1923 WeakPolarHBondContact O-CB 3.3Å; I1907-L1923 PolarHBondContact O-N 2.93Å; C1909-L1923 HydrophobicContact CB-CD1 3.76Å; C1909-L1923 HydrophobicContact CB-CG 4.17Å; E1921-L1923 PolarHBondContact O-N 2.87Å; L1923-L1956 VanDerWaalsContact O-CD2 3.31Å; L1923-L1956 WeakPolarHBondContact O-CD2 3.23Å; L1923-M1957 HydrophobicContact CD1-SD 3.93Å; L1923-M1957 HydrophobicContact CD2-SD 3.72Å; L1923-M1957 HydrophobicContact CG-SD 4.46Å; L1923-K1960 HydrophobicContact CD2-CB 4.12Å; L1923-K1960 HydrophobicContact CD2-CG 4.17Å |
| 1924 | F | 94.2 | Very high | 81.2 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 110.5 | -175.8 | -170.1 | -114.5 | 0 | 0 | 0 | 112.1 | G1906 I1907 R1926 Y1949 H1951 | G1906-F1924 CarbonylContact C-O 3.47Å; G1906-F1924 WeakPolarHBondContact CA-O 3.49Å; I1907-F1924 HydrophobicContact CB-CB 4.08Å; I1907-F1924 HydrophobicContact CD1-CB 4.29Å; I1907-F1924 HydrophobicContact CD1-CD1 4.13Å; I1907-F1924 HydrophobicContact CG1-CB 4.23Å; I1907-F1924 HydrophobicContact CG1-CD1 4.41Å; I1907-F1924 PolarHBondContact N-O 2.77Å; I1907-F1924 PolarHBondContact O-N 3.32Å; I1907-F1924 VanDerWaalsContact O-N 3.1Å; F1924-R1926 VanDerWaalsContact C-N 3.3Å; F1924-R1926 HydrophobicContact CD1-CB 4.02Å; F1924-R1926 HydrophobicContact CD1-CG 4.36Å; F1924-R1926 HydrophobicContact CE1-CB 3.7Å; F1924-R1926 HydrophobicContact CE1-CG 3.77Å; F1924-R1926 HydrophobicContact CZ-CB 4.5Å; F1924-R1926 HydrophobicContact CZ-CG 4.08Å; F1924-R1926 PolarHBondContact O-N 3.38Å; F1924-Y1949 HydrophobicContact CE1-CD1 4.29Å; F1924-Y1949 HydrophobicContact CE1-CE1 4.31Å; F1924-Y1949 AromaticContact CZ-CD1 3.8Å; F1924-Y1949 HydrophobicContact CZ-CD1 3.8Å; F1924-Y1949 AromaticContact CZ-CE1 3.71Å; F1924-Y1949 HydrophobicContact CZ-CE1 3.71Å; F1924-H1951 AromaticContact CD1-CE1 3.57Å; F1924-H1951 AromaticContact CD2-CE1 3.89Å; F1924-H1951 AromaticContact CE1-CE1 3.57Å; F1924-H1951 AromaticContact CE2-CE1 3.92Å; F1924-H1951 AromaticContact CG-CE1 3.73Å; F1924-H1951 AromaticContact CZ-CE1 3.76Å |
| 1925 | P | 94.1 | Very high | 83 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 62% | 0.623 | 31% | 0.308 | S | S | * | . | trans | -81.5 | 69.5 | -174.7 | 33.3 | -36.6 | 0 | 0 | 0 | 112.2 | L1922 | L1922-P1925 HydrophobicContact CD2-CB 4.25Š| ||
| 1926 | R | 93.5 | Very high | 85.4 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -150.4 | 135 | 167 | -64.9 | -169.8 | 173.8 | -100.5 | -13.4 | 110.3 | D1905 G1906 F1924 C1928 | D1905-R1926 PolarHBondContact O-N 3.25Å; G1906-R1926 VanDerWaalsContact CA-O 3.3Å; G1906-R1926 WeakPolarHBondContact CA-O 3.34Å; F1924-R1926 VanDerWaalsContact C-N 3.3Å; F1924-R1926 HydrophobicContact CD1-CB 4.02Å; F1924-R1926 HydrophobicContact CD1-CG 4.36Å; F1924-R1926 HydrophobicContact CE1-CB 3.7Å; F1924-R1926 HydrophobicContact CE1-CG 3.77Å; F1924-R1926 HydrophobicContact CZ-CB 4.5Å; F1924-R1926 HydrophobicContact CZ-CG 4.08Å; F1924-R1926 PolarHBondContact O-N 3.38Å; R1926-C1928 PolarHBondContact O-N 2.87Å |
| 1927 | R | 96.1 | Very high | 88 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | trans | -34.1 | 118.1 | 163.3 | -179 | 159.5 | -167.9 | -132.7 | -0.5 | 111.8 | N1904 L1929 S1942 G1943 | N1904-R1927 WeakPolarHBondContact O-CA 3.39Å; N1904-R1927 WeakPolarHBondContact O-CB 3.42Å; N1904-R1927 PolarHBondContact O-N 3.07Å; N1904-R1927 PolarHBondContact OD1-NE 3.45Å; R1927-L1929 HydrophobicContact CG-CD2 4.32Å; R1927-S1942 CarbonylContact O-C 3.56Å; R1927-S1942 WeakPolarHBondContact O-CA 3.4Å; R1927-G1943 PolarHBondContact O-N 3.46Å | ||
| 1928 | C | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.2 | 179 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | N1884 T1903 I1907 R1926 W1930 L1941 | N1884-C1928 WeakPolarHBondContact CB-O 3.32Å; N1884-C1928 PolarHBondContact ND2-O 3.45Å; T1903-C1928 PolarHBondContact O-N 2.83Å; I1907-C1928 HydrophobicContact CD1-CB 4.16Å; I1907-C1928 HydrophobicContact CG1-CB 3.61Å; R1926-C1928 PolarHBondContact O-N 2.87Å; C1928-W1930 PolarHBondContact SG-O 3.36Å; C1928-W1930 VanDerWaalsContact SG-O 3.37Å; C1928-L1941 WeakPolarHBondContact CA-O 3.4Å |
| 1929 | L | 95.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 41.5 Ų | 41.5 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -34.7 | 179.3 | -61.3 | -175.4 | 0 | 0 | 0 | 112.4 | S1885 R1927 L1941 P1946 | S1885-L1929 WeakPolarHBondContact CB-O 3.29Å; S1885-L1929 PolarHBondContact OG-O 3.21Å; R1927-L1929 HydrophobicContact CG-CD2 4.32Å; L1929-L1941 PolarHBondContact N-O 3.11Å; L1929-P1946 HydrophobicContact CD1-CB 4.23Å; L1929-P1946 HydrophobicContact CD1-CG 3.58Å |
| 1930 | W | 95.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 141.1 | -178.3 | 171.5 | 92.6 | 0 | 0 | 0 | 108.8 | S1885 C1928 M1939 S1940 L1941 L1948 A2020 V2022 L2033 | S1885-W1930 VanDerWaalsContact OG-CA 3.3Å; S1885-W1930 WeakPolarHBondContact OG-CA 3.4Å; S1885-W1930 PolarHBondContact OG-N 2.88Å; C1928-W1930 PolarHBondContact SG-O 3.36Å; C1928-W1930 VanDerWaalsContact SG-O 3.37Å; W1930-M1939 HydrophobicContact CH2-CB 4.21Å; W1930-M1939 HydrophobicContact CZ3-CB 3.94Å; W1930-S1940 CarbonylContact O-C 3.57Å; W1930-S1940 VanDerWaalsContact O-CA 3.23Å; W1930-S1940 WeakPolarHBondContact O-CA 3.4Å; W1930-L1941 HydrophobicContact CB-CB 4.28Å; W1930-L1941 HydrophobicContact CB-CD1 4.28Å; W1930-L1941 HydrophobicContact CB-CG 4.41Å; W1930-L1941 HydrophobicContact CE3-CG 4.08Å; W1930-L1941 PolarHBondContact O-N 2.97Å; W1930-L1948 HydrophobicContact CZ3-CD1 4.13Å; W1930-A2020 HydrophobicContact CD2-CB 4.2Å; W1930-A2020 VanDerWaalsContact CE2-O 3.31Å; W1930-A2020 HydrophobicContact CE3-CB 3.94Å; W1930-A2020 HydrophobicContact CH2-CB 4.09Å; W1930-A2020 HydrophobicContact CZ2-CB 4.34Å; W1930-A2020 HydrophobicContact CZ3-CB 3.9Å; W1930-A2020 PolarHBondContact NE1-O 2.98Å; W1930-V2022 HydrophobicContact CH2-CG2 3.74Å; W1930-V2022 HydrophobicContact CZ2-CG2 3.83Å; W1930-L2033 HydrophobicContact CH2-CD1 4.03Å; W1930-L2033 HydrophobicContact CH2-CG 4.42Å; W1930-L2033 HydrophobicContact CZ3-CD1 4.48Å |
| 1931 | L | 96.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.5 | 166.6 | 59 | 74.5 | 0 | 0 | 0 | 111.8 | S1885 A1887 L1900 I1907 M1938 M1939 | S1885-L1931 PolarHBondContact OG-N 2.9Å; A1887-L1931 HydrophobicContact CB-CD1 3.39Å; L1900-L1931 HydrophobicContact CB-CD1 4.44Å; L1900-L1931 HydrophobicContact CB-CD2 4.47Å; I1907-L1931 HydrophobicContact CD1-CD2 4.27Å; I1907-L1931 HydrophobicContact CG1-CD2 4.32Å; I1907-L1931 HydrophobicContact CG2-CD2 3.58Å; L1931-M1938 HydrophobicContact CB-CG 4.28Å; L1931-M1938 HydrophobicContact CB-SD 4.21Å; L1931-M1938 HydrophobicContact CD2-SD 4.28Å; L1931-M1939 CarbonylContact C-O 3.53Å; L1931-M1939 WeakPolarHBondContact CA-O 3.13Å; L1931-M1939 WeakPolarHBondContact CB-O 3.38Å |
| 1932 | S | 95.7 | Very high | 95 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 139.2 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | M1938 M1939 | S1932-M1938 CarbonylContact O-C 3.42Å; S1932-M1938 WeakPolarHBondContact O-CA 3.39Å; S1932-M1939 PolarHBondContact N-O 2.86Å; S1932-M1939 PolarHBondContact O-N 2.99Å |
| 1933 | V | 95.2 | Very high | 95.1 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.1 | -175 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | A1887 W1889 L1900 R1935 M1938 L1953 | A1887-V1933 HydrophobicContact CB-CG2 3.79Å; W1889-V1933 HydrophobicContact CB-CG1 4.25Å; W1889-V1933 HydrophobicContact CG-CG1 4.29Å; L1900-V1933 HydrophobicContact CD1-CG2 3.65Å; V1933-R1935 VanDerWaalsContact CG1-O 3.27Å; V1933-R1935 WeakPolarHBondContact CG1-O 3.45Å; V1933-M1938 HydrophobicContact CG2-CB 4.08Å; V1933-M1938 HydrophobicContact CG2-CG 4.04Å; V1933-L1953 HydrophobicContact CG1-CD1 3.78Å; V1933-L1953 HydrophobicContact CG2-CD1 4.22Å |
| 1934 | T | 93.3 | Very high | 95 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118.4 | 167.3 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | D1936 T1937 K2031 W2046 | T1934-D1936 PolarHBondContact O-N 3.49Å; T1934-D1936 VanDerWaalsContact O-N 3.08Å; T1934-T1937 PolarHBondContact N-O 3.38Å; T1934-T1937 PolarHBondContact O-N 2.81Å; T1934-T1937 VanDerWaalsContact O-O 3.14Å; T1934-K2031 HydrophobicContact CG2-CD 3.74Å; T1934-W2046 HydrophobicContact CG2-CD2 3.39Å; T1934-W2046 VanDerWaalsContact CG2-CE2 3.45Å; T1934-W2046 HydrophobicContact CG2-CE3 3.51Å; T1934-W2046 HydrophobicContact CG2-CG 4.02Å; T1934-W2046 HydrophobicContact CG2-CH2 3.68Å; T1934-W2046 HydrophobicContact CG2-CZ2 3.6Å; T1934-W2046 HydrophobicContact CG2-CZ3 3.64Å; T1934-W2046 WeakPolarHBondContact O-CH2 3.31Å |
| 1935 | R | 90.2 | Very high | 94.8 | Very high | 122 Ų | 122 | 47.5 Ų | 47.5 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | -112.3 | -164.2 | -61.8 | -170.3 | -177 | 148.6 | -8.2 | 110.2 | W1889 V1933 W2046 N2048 S2051 | W1889-R1935 VanDerWaalsContact CD1-O 3.23Å; W1889-R1935 PolarHBondContact NE1-O 3.22Å; V1933-R1935 VanDerWaalsContact CG1-O 3.27Å; V1933-R1935 WeakPolarHBondContact CG1-O 3.45Å; R1935-W2046 HydrophobicContact CB-CH2 4.28Å; R1935-W2046 HydrophobicContact CB-CZ2 4.03Å; R1935-W2046 HydrophobicContact CG-CZ2 3.89Å; R1935-N2048 VanDerWaalsContact CZ-OD1 3.27Å; R1935-N2048 PolarHBondContact NH1-O 2.83Å; R1935-N2048 PolarHBondContact NH1-OD1 2.87Å; R1935-N2048 PolarHBondContact NH2-OD1 2.8Å; R1935-S2051 PolarHBondContact NH1-OG 3.07Å |
| 1936 | D | 93 | Very high | 94.8 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 6.8 | -176.6 | -54 | -56.3 | 0 | 0 | 0 | 113.2 | W1889 P1892 T1934 L1953 V1954 | W1889-D1936 PolarHBondContact NE1-OD1 3.31Å; P1892-D1936 WeakPolarHBondContact CD-OD1 3.27Å; P1892-D1936 WeakPolarHBondContact CG-OD1 3.23Å; T1934-D1936 PolarHBondContact O-N 3.49Å; T1934-D1936 VanDerWaalsContact O-N 3.08Å; D1936-L1953 WeakPolarHBondContact O-CB 3.41Å; D1936-L1953 PolarHBondContact O-N 3.47Å; D1936-V1954 HydrophobicContact CB-CG2 4.06Å |
| 1937 | T | 94.7 | Very high | 95 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 112.2 | 172.7 | -67.6 | 0 | 0 | 0 | 0 | 108.8 | T1934 M1939 A1950 H1951 W2046 S2051 | T1934-T1937 PolarHBondContact N-O 3.38Å; T1934-T1937 PolarHBondContact O-N 2.81Å; T1934-T1937 VanDerWaalsContact O-O 3.14Å; T1937-M1939 HydrophobicContact CG2-SD 3.96Å; T1937-A1950 HydrophobicContact CG2-CB 4.44Å; T1937-H1951 CarbonylContact C-O 2.83Å; T1937-H1951 WeakPolarHBondContact CA-O 3.21Å; T1937-W2046 HydrophobicContact CG2-CZ3 4.32Å; T1937-S2051 WeakPolarHBondContact CB-O 3.19Å; T1937-S2051 PolarHBondContact OG1-O 2.64Å |
| 1938 | M | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.6 | 169.2 | 178.1 | -118.1 | -64 | 0 | 0 | 108.6 | I1907 L1931 S1932 V1933 H1951 L1953 | I1907-M1938 HydrophobicContact CD1-CE 3.99Å; I1907-M1938 HydrophobicContact CD1-SD 3.65Å; I1907-M1938 HydrophobicContact CG2-CE 3.79Å; I1907-M1938 HydrophobicContact CG2-SD 4.45Å; L1931-M1938 HydrophobicContact CB-CG 4.28Å; L1931-M1938 HydrophobicContact CB-SD 4.21Å; L1931-M1938 HydrophobicContact CD2-SD 4.28Å; S1932-M1938 CarbonylContact O-C 3.42Å; S1932-M1938 WeakPolarHBondContact O-CA 3.39Å; V1933-M1938 HydrophobicContact CG2-CB 4.08Å; V1933-M1938 HydrophobicContact CG2-CG 4.04Å; M1938-H1951 HydrophobicContact CB-CB 4.19Å; M1938-H1951 HydrophobicContact CE-CB 4.17Å; M1938-H1951 PolarHBondContact N-O 3.32Å; M1938-H1951 WeakPolarHBondContact O-CB 3.45Å; M1938-H1951 PolarHBondContact O-CD2 2.8Å; M1938-H1951 PolarHBondContact O-N 2.57Å; M1938-H1951 HydrophobicContact SD-CB 4.15Å; M1938-H1951 PolarHBondContact SD-CD2 2.84Å; M1938-L1953 HydrophobicContact CB-CD1 4Å; M1938-L1953 HydrophobicContact CB-CD2 3.92Å; M1938-L1953 HydrophobicContact CB-CG 3.87Å; M1938-L1953 HydrophobicContact CE-CD2 3.61Å |
| 1939 | M | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 141.3 | 168.6 | -59.8 | -59.7 | -60.1 | 0 | 0 | 108.3 | W1930 L1931 S1932 T1937 L1948 Y1949 A1950 M2011 L2033 M2044 F2053 | W1930-M1939 HydrophobicContact CH2-CB 4.21Å; W1930-M1939 HydrophobicContact CZ3-CB 3.94Å; L1931-M1939 CarbonylContact C-O 3.53Å; L1931-M1939 WeakPolarHBondContact CA-O 3.13Å; L1931-M1939 WeakPolarHBondContact CB-O 3.38Å; S1932-M1939 PolarHBondContact N-O 2.86Å; S1932-M1939 PolarHBondContact O-N 2.99Å; T1937-M1939 HydrophobicContact CG2-SD 3.96Å; M1939-L1948 HydrophobicContact CE-CD1 4.21Å; M1939-L1948 HydrophobicContact CE-CD2 3.9Å; M1939-L1948 HydrophobicContact CE-CG 3.83Å; M1939-Y1949 CarbonylContact C-O 3.56Å; M1939-Y1949 VanDerWaalsContact CA-O 3.31Å; M1939-Y1949 WeakPolarHBondContact CA-O 3.43Å; M1939-Y1949 WeakPolarHBondContact CE-O 3.18Å; M1939-A1950 HydrophobicContact CE-CB 4.01Å; M1939-A1950 HydrophobicContact SD-CB 3.59Å; M1939-A1950 VanDerWaalsContact SD-CB 3.59Å; M1939-M2011 HydrophobicContact CE-CG 4.44Å; M1939-L2033 HydrophobicContact CB-CD1 3.79Å; M1939-L2033 HydrophobicContact CE-CD1 4.05Å; M1939-L2033 HydrophobicContact CG-CD1 3.61Å; M1939-M2044 HydrophobicContact CE-CE 4.04Å; M1939-F2053 HydrophobicContact CG-CD2 3.55Å; M1939-F2053 HydrophobicContact CG-CE2 3.76Å; M1939-F2053 HydrophobicContact SD-CD2 3.87Å |
| 1940 | S | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 149.9 | 174.7 | 80.2 | 0 | 0 | 0 | 0 | 113.3 | W1930 S1942 L1948 Y1949 H1951 | W1930-S1940 CarbonylContact O-C 3.57Å; W1930-S1940 VanDerWaalsContact O-CA 3.23Å; W1930-S1940 WeakPolarHBondContact O-CA 3.4Å; S1940-S1942 PolarHBondContact OG-OG 3Å; S1940-L1948 CarbonylContact O-C 3.49Å; S1940-L1948 WeakPolarHBondContact O-CA 3.42Å; S1940-Y1949 PolarHBondContact N-O 3.06Å; S1940-Y1949 PolarHBondContact O-N 3.09Å; S1940-H1951 PolarHBondContact OG-NE2 2.84Å |
| 1941 | L | 97.4 | Very high | 95 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 102.3 | 163.3 | -70.1 | -177.3 | 0 | 0 | 0 | 108.7 | C1928 L1929 W1930 Q1947 L1948 C2017 A2020 | C1928-L1941 WeakPolarHBondContact CA-O 3.4Å; L1929-L1941 PolarHBondContact N-O 3.11Å; W1930-L1941 HydrophobicContact CB-CB 4.28Å; W1930-L1941 HydrophobicContact CB-CD1 4.28Å; W1930-L1941 HydrophobicContact CB-CG 4.41Å; W1930-L1941 HydrophobicContact CE3-CG 4.08Å; W1930-L1941 PolarHBondContact O-N 2.97Å; L1941-Q1947 WeakPolarHBondContact CA-O 3.29Å; L1941-L1948 HydrophobicContact CD2-CB 4.08Å; L1941-L1948 HydrophobicContact CD2-CD1 3.71Å; L1941-L1948 HydrophobicContact CG-CD1 4.35Å; L1941-C2017 HydrophobicContact CD2-CB 3.79Å; L1941-C2017 VanDerWaalsContact CD2-SG 3.56Å; L1941-A2020 HydrophobicContact CD1-CB 3.78Å; L1941-A2020 HydrophobicContact CD2-CB 4.29Å; L1941-A2020 HydrophobicContact CG-CB 4.03Å |
| 1942 | S | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.4 | -168.8 | -72.8 | 0 | 0 | 0 | 0 | 114.4 | R1927 S1940 Q1947 Y1949 | R1927-S1942 CarbonylContact O-C 3.56Å; R1927-S1942 WeakPolarHBondContact O-CA 3.4Å; S1940-S1942 PolarHBondContact OG-OG 3Å; S1942-Q1947 PolarHBondContact N-O 2.86Å; S1942-Q1947 PolarHBondContact O-N 3.22Å; S1942-Y1949 VanDerWaalsContact O-CE2 3.26Å; S1942-Y1949 WeakPolarHBondContact O-CE2 3.26Å |
| 1943 | G | 93.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.2 | 171.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1927 H1945 | R1927-G1943 PolarHBondContact O-N 3.46Å; G1943-H1945 CarbonylContact C-O 3.51Å; G1943-H1945 CarbonylContact O-C 3.5Å; G1943-H1945 PolarHBondContact O-N 2.96Å |
| 1944 | R | 89.5 | Confident | 94.6 | Very high | 215 Ų | 215 | 33.4 Ų | 33.4 | 81% | 0.811 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -43.9 | -178.3 | -178.7 | 172.2 | 175.4 | 158.2 | -3.1 | 112.7 | ||
| 1945 | H | 91.6 | Very high | 94.3 | Very high | 121 Ų | 121 | 35.4 Ų | 35.4 | 56% | 0.56 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 123.3 | 156.4 | -52.5 | -80.4 | 0 | 0 | 0 | 106.4 | G1943 Q1947 K2015 | G1943-H1945 CarbonylContact C-O 3.51Å; G1943-H1945 CarbonylContact O-C 3.5Å; G1943-H1945 PolarHBondContact O-N 2.96Å; H1945-Q1947 PolarHBondContact O-N 2.87Å; H1945-K2015 HydrophobicContact CB-CG 4.38Å |
| 1946 | P | 94.3 | Very high | 94.2 | Very high | 31 Ų | 31 | 30.4 Ų | 30.4 | 20% | 0.201 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 125.9 | 178.7 | -27 | 36.5 | 0 | 0 | 0 | 110.7 | L1929 G2016 C2017 | L1929-P1946 HydrophobicContact CD1-CB 4.23Å; L1929-P1946 HydrophobicContact CD1-CG 3.58Å; P1946-G2016 PolarHBondContact O-N 3.07Å; P1946-C2017 WeakPolarHBondContact CB-O 3.41Å; P1946-C2017 PolarHBondContact O-N 3.07Å |
| 1947 | Q | 96.6 | Very high | 94 | Very high | 27 Ų | 27 | 29.1 Ų | 29.1 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.2 | 175.7 | -179.4 | 178.4 | 21.7 | 0 | 0 | 108.8 | L1941 S1942 H1945 Y1949 M2011 T2014 | L1941-Q1947 WeakPolarHBondContact CA-O 3.29Å; S1942-Q1947 PolarHBondContact N-O 2.86Å; S1942-Q1947 PolarHBondContact O-N 3.22Å; H1945-Q1947 PolarHBondContact O-N 2.87Å; Q1947-Y1949 HydrophobicContact CB-CE2 4Å; Q1947-Y1949 HydrophobicContact CG-CE2 4.34Å; Q1947-Y1949 WeakPolarHBondContact O-CD2 3.35Å; Q1947-M2011 PolarHBondContact NE2-O 3.28Å; Q1947-T2014 WeakPolarHBondContact CA-O 3.45Å; Q1947-T2014 WeakPolarHBondContact CG-OG1 3.47Å |
| 1948 | L | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.9 | 178.2 | -164.8 | 67.9 | 0 | 0 | 0 | 111 | W1930 M1939 S1940 L1941 M2011 T2014 L2033 M2044 | W1930-L1948 HydrophobicContact CZ3-CD1 4.13Å; M1939-L1948 HydrophobicContact CE-CD1 4.21Å; M1939-L1948 HydrophobicContact CE-CD2 3.9Å; M1939-L1948 HydrophobicContact CE-CG 3.83Å; S1940-L1948 CarbonylContact O-C 3.49Å; S1940-L1948 WeakPolarHBondContact O-CA 3.42Å; L1941-L1948 HydrophobicContact CD2-CB 4.08Å; L1941-L1948 HydrophobicContact CD2-CD1 3.71Å; L1941-L1948 HydrophobicContact CG-CD1 4.35Å; L1948-M2011 HydrophobicContact CB-CB 4.22Å; L1948-M2011 HydrophobicContact CB-CG 4.11Å; L1948-M2011 HydrophobicContact CD2-CG 4.12Å; L1948-M2011 HydrophobicContact CG-CG 4.08Å; L1948-M2011 WeakPolarHBondContact O-CB 3.1Å; L1948-M2011 WeakPolarHBondContact O-CG 3.48Å; L1948-M2011 PolarHBondContact O-N 3.28Å; L1948-T2014 HydrophobicContact CB-CG2 4.06Å; L1948-T2014 PolarHBondContact N-OG1 2.79Å; L1948-L2033 HydrophobicContact CD2-CD2 3.93Å; L1948-M2044 HydrophobicContact CD2-CE 3.42Å; L1948-M2044 VanDerWaalsContact CD2-CE 3.42Å |
| 1949 | Y | 97.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148 | 173.9 | -68.7 | -114.3 | 0 | 0 | 0 | 109.7 | F1924 M1939 S1940 S1942 Q1947 H1951 K2009 K2010 | F1924-Y1949 HydrophobicContact CE1-CD1 4.29Å; F1924-Y1949 HydrophobicContact CE1-CE1 4.31Å; F1924-Y1949 AromaticContact CZ-CD1 3.8Å; F1924-Y1949 HydrophobicContact CZ-CD1 3.8Å; F1924-Y1949 AromaticContact CZ-CE1 3.71Å; F1924-Y1949 HydrophobicContact CZ-CE1 3.71Å; M1939-Y1949 CarbonylContact C-O 3.56Å; M1939-Y1949 VanDerWaalsContact CA-O 3.31Å; M1939-Y1949 WeakPolarHBondContact CA-O 3.43Å; M1939-Y1949 WeakPolarHBondContact CE-O 3.18Å; S1940-Y1949 PolarHBondContact N-O 3.06Å; S1940-Y1949 PolarHBondContact O-N 3.09Å; S1942-Y1949 VanDerWaalsContact O-CE2 3.26Å; S1942-Y1949 WeakPolarHBondContact O-CE2 3.26Å; Q1947-Y1949 HydrophobicContact CB-CE2 4Å; Q1947-Y1949 HydrophobicContact CG-CE2 4.34Å; Q1947-Y1949 WeakPolarHBondContact O-CD2 3.35Å; Y1949-H1951 VanDerWaalsContact CB-NE2 3.3Å; Y1949-H1951 WeakPolarHBondContact CB-NE2 3.42Å; Y1949-K2009 CarbonylContact C-O 3.58Å; Y1949-K2009 WeakPolarHBondContact CA-O 3.23Å; Y1949-K2010 HydrophobicContact CD1-CG 3.85Å; Y1949-K2010 HydrophobicContact CE1-CB 4.47Å; Y1949-K2010 HydrophobicContact CE1-CD 4.27Å; Y1949-K2010 HydrophobicContact CE1-CG 3.32Å; Y1949-K2010 HydrophobicContact CE2-CG 4.41Å; Y1949-K2010 VanDerWaalsContact OH-CE 3.29Å; Y1949-K2010 WeakPolarHBondContact OH-CE 3.35Å; Y1949-K2010 PolarHBondContact OH-NZ 3.37Å; Y1949-K2010 VanDerWaalsContact OH-NZ 3.09Å |
| 1950 | A | 95.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T1937 M1939 S2008 K2009 M2011 | T1937-A1950 HydrophobicContact CG2-CB 4.44Å; M1939-A1950 HydrophobicContact CE-CB 4.01Å; M1939-A1950 HydrophobicContact SD-CB 3.59Å; M1939-A1950 VanDerWaalsContact SD-CB 3.59Å; A1950-S2008 WeakPolarHBondContact O-CA 3.21Å; A1950-K2009 PolarHBondContact N-O 2.84Å; A1950-K2009 PolarHBondContact O-N 2.85Å; A1950-M2011 HydrophobicContact CB-CE 3.66Å |
| 1951 | H | 95.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.8 | -174.4 | -59.3 | -85.6 | 0 | 0 | 0 | 110.4 | F1924 T1937 M1938 S1940 Y1949 L1953 L1956 P2007 S2008 | F1924-H1951 AromaticContact CD1-CE1 3.57Å; F1924-H1951 AromaticContact CD2-CE1 3.89Å; F1924-H1951 AromaticContact CE1-CE1 3.57Å; F1924-H1951 AromaticContact CE2-CE1 3.92Å; F1924-H1951 AromaticContact CG-CE1 3.73Å; F1924-H1951 AromaticContact CZ-CE1 3.76Å; T1937-H1951 CarbonylContact C-O 2.83Å; T1937-H1951 WeakPolarHBondContact CA-O 3.21Å; M1938-H1951 HydrophobicContact CB-CB 4.19Å; M1938-H1951 HydrophobicContact CE-CB 4.17Å; M1938-H1951 PolarHBondContact N-O 3.32Å; M1938-H1951 WeakPolarHBondContact O-CB 3.45Å; M1938-H1951 PolarHBondContact O-CD2 2.8Å; M1938-H1951 PolarHBondContact O-N 2.57Å; M1938-H1951 HydrophobicContact SD-CB 4.15Å; M1938-H1951 PolarHBondContact SD-CD2 2.84Å; S1940-H1951 PolarHBondContact OG-NE2 2.84Å; Y1949-H1951 VanDerWaalsContact CB-NE2 3.3Å; Y1949-H1951 WeakPolarHBondContact CB-NE2 3.42Å; H1951-L1953 PolarHBondContact O-N 2.88Å; H1951-L1956 HydrophobicContact CB-CD1 3.67Å; H1951-P2007 CarbonylContact C-O 3.57Å; H1951-P2007 WeakPolarHBondContact CA-O 3.37Å; H1951-S2008 WeakPolarHBondContact ND1-CB 3.41Å; H1951-S2008 PolarHBondContact ND1-OG 2.91Å |
| 1952 | N | 93.5 | Very high | 88.6 | Confident | 62 Ų | 62 | 46.7 Ų | 46.7 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 103.4 | 170.2 | -175.4 | -73.7 | 0 | 0 | 0 | 109 | V1954 S1955 L1956 P2007 | N1952-V1954 VanDerWaalsContact C-N 3.34Å; N1952-V1954 PolarHBondContact O-N 2.82Å; N1952-V1954 PolarHBondContact OD1-N 3.09Å; N1952-S1955 PolarHBondContact O-N 3.26Å; N1952-S1955 WeakPolarHBondContact OD1-CB 3.42Å; N1952-S1955 PolarHBondContact OD1-N 2.84Å; N1952-S1955 PolarHBondContact OD1-OG 2.83Å; N1952-S1955 VanDerWaalsContact OD1-OG 3.1Å; N1952-L1956 PolarHBondContact O-N 3.37Å; N1952-P2007 PolarHBondContact N-O 3.16Å |
| 1953 | L | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | -174.2 | -73.2 | 170.3 | 0 | 0 | 0 | 112 | W1889 L1900 V1933 D1936 M1938 H1951 S1955 L1956 M1957 | W1889-L1953 HydrophobicContact CB-CD1 4.17Å; W1889-L1953 HydrophobicContact CD2-CB 4.23Å; W1889-L1953 HydrophobicContact CD2-CD1 3.61Å; W1889-L1953 HydrophobicContact CD2-CG 4.48Å; W1889-L1953 HydrophobicContact CE3-CB 4.43Å; W1889-L1953 HydrophobicContact CE3-CD1 4.26Å; W1889-L1953 HydrophobicContact CG-CD1 3.57Å; W1889-L1953 HydrophobicContact CH2-CB 3.74Å; W1889-L1953 HydrophobicContact CZ2-CB 3.46Å; W1889-L1953 VanDerWaalsContact CZ2-CB 3.46Å; W1889-L1953 HydrophobicContact CZ2-CD1 4.26Å; W1889-L1953 HydrophobicContact CZ2-CG 4.5Å; W1889-L1953 HydrophobicContact CZ3-CB 4.23Å; L1900-L1953 HydrophobicContact CD1-CD1 4.02Å; L1900-L1953 HydrophobicContact CD1-CD2 3.83Å; L1900-L1953 HydrophobicContact CD2-CD2 4.17Å; V1933-L1953 HydrophobicContact CG1-CD1 3.78Å; V1933-L1953 HydrophobicContact CG2-CD1 4.22Å; D1936-L1953 WeakPolarHBondContact O-CB 3.41Å; D1936-L1953 PolarHBondContact O-N 3.47Å; M1938-L1953 HydrophobicContact CB-CD1 4Å; M1938-L1953 HydrophobicContact CB-CD2 3.92Å; M1938-L1953 HydrophobicContact CB-CG 3.87Å; M1938-L1953 HydrophobicContact CE-CD2 3.61Å; H1951-L1953 PolarHBondContact O-N 2.88Å; L1953-S1955 VanDerWaalsContact C-N 3.34Å; L1953-S1955 PolarHBondContact O-N 3.39Å; L1953-L1956 PolarHBondContact O-N 2.77Å; L1953-M1957 WeakPolarHBondContact O-CB 3.48Å; L1953-M1957 VanDerWaalsContact O-CG 3.27Å; L1953-M1957 WeakPolarHBondContact O-CG 3.48Å; L1953-M1957 PolarHBondContact O-N 3.36Å |
| 1954 | V | 90.8 | Very high | 83.8 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | W1889 P1892 D1936 N1952 K1958 | W1889-V1954 HydrophobicContact CH2-CG2 4.45Å; W1889-V1954 HydrophobicContact CZ2-CG2 3.96Å; P1892-V1954 HydrophobicContact CG-CG2 3.34Å; D1936-V1954 HydrophobicContact CB-CG2 4.06Å; N1952-V1954 VanDerWaalsContact C-N 3.34Å; N1952-V1954 PolarHBondContact O-N 2.82Å; N1952-V1954 PolarHBondContact OD1-N 3.09Å; V1954-K1958 HydrophobicContact CG1-CD 4.06Å; V1954-K1958 WeakPolarHBondContact O-CB 3.49Å; V1954-K1958 VanDerWaalsContact O-CG 3.24Å; V1954-K1958 WeakPolarHBondContact O-CG 3.41Å; V1954-K1958 PolarHBondContact O-N 2.83Å |
| 1955 | S | 88.3 | Confident | 81.1 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.5 | -36.9 | 177.5 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | N1952 L1953 L1959 | N1952-S1955 PolarHBondContact O-N 3.26Å; N1952-S1955 WeakPolarHBondContact OD1-CB 3.42Å; N1952-S1955 PolarHBondContact OD1-N 2.84Å; N1952-S1955 PolarHBondContact OD1-OG 2.83Å; N1952-S1955 VanDerWaalsContact OD1-OG 3.1Å; L1953-S1955 VanDerWaalsContact C-N 3.34Å; L1953-S1955 PolarHBondContact O-N 3.39Å; S1955-L1959 PolarHBondContact O-N 2.91Å |
| 1956 | L | 88.1 | Confident | 78 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 173 | -88.7 | 150.8 | 0 | 0 | 0 | 111.8 | L1923 H1951 N1952 L1953 K1958 L1959 K1960 P2007 | L1923-L1956 VanDerWaalsContact O-CD2 3.31Å; L1923-L1956 WeakPolarHBondContact O-CD2 3.23Å; H1951-L1956 HydrophobicContact CB-CD1 3.67Å; N1952-L1956 PolarHBondContact O-N 3.37Å; L1953-L1956 PolarHBondContact O-N 2.77Å; L1956-K1958 VanDerWaalsContact C-N 3.34Å; L1956-K1958 PolarHBondContact O-N 2.84Å; L1956-L1959 PolarHBondContact O-N 3.1Å; L1956-K1960 WeakPolarHBondContact O-CB 3.27Å; L1956-K1960 PolarHBondContact O-N 2.72Å; L1956-P2007 HydrophobicContact CG-CB 4Å |
| 1957 | M | 87.1 | Confident | 74.9 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.4 | -65.6 | -62.4 | -77.2 | 0 | 0 | 111.9 | W1889 L1923 L1953 K1960 S1961 | W1889-M1957 HydrophobicContact CH2-CG 3.82Å; W1889-M1957 HydrophobicContact CZ3-CG 3.66Å; W1889-M1957 HydrophobicContact CZ3-SD 4.37Å; L1923-M1957 HydrophobicContact CD1-SD 3.93Å; L1923-M1957 HydrophobicContact CD2-SD 3.72Å; L1923-M1957 HydrophobicContact CG-SD 4.46Å; L1953-M1957 WeakPolarHBondContact O-CB 3.48Å; L1953-M1957 VanDerWaalsContact O-CG 3.27Å; L1953-M1957 WeakPolarHBondContact O-CG 3.48Å; L1953-M1957 PolarHBondContact O-N 3.36Å; M1957-K1960 PolarHBondContact O-N 3.01Å; M1957-S1961 WeakPolarHBondContact O-CB 3.3Å; M1957-S1961 PolarHBondContact O-N 2.9Å; M1957-S1961 PolarHBondContact O-OG 2.95Å |
| 1958 | K | 82.7 | Confident | 71.5 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 175.4 | -78.8 | 174.2 | -179.9 | 179.7 | 0 | 111.5 | V1954 L1956 K1960 S1961 Q1962 | V1954-K1958 HydrophobicContact CG1-CD 4.06Å; V1954-K1958 WeakPolarHBondContact O-CB 3.49Å; V1954-K1958 VanDerWaalsContact O-CG 3.24Å; V1954-K1958 WeakPolarHBondContact O-CG 3.41Å; V1954-K1958 PolarHBondContact O-N 2.83Å; L1956-K1958 VanDerWaalsContact C-N 3.34Å; L1956-K1958 PolarHBondContact O-N 2.84Å; K1958-K1960 PolarHBondContact O-N 2.79Å; K1958-S1961 PolarHBondContact O-N 2.79Å; K1958-S1961 PolarHBondContact O-OG 3.28Å; K1958-Q1962 WeakPolarHBondContact O-CG 3.45Å; K1958-Q1962 PolarHBondContact O-N 2.91Å |
| 1959 | L | 78.3 | Confident | 68.1 | Low | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.4 | -78.7 | 162.6 | 0 | 0 | 0 | 112.8 | S1955 L1956 Q1962 G1963 V1998 P2007 | S1955-L1959 PolarHBondContact O-N 2.91Å; L1956-L1959 PolarHBondContact O-N 3.1Å; L1959-Q1962 PolarHBondContact O-N 3.31Å; L1959-G1963 PolarHBondContact O-N 2.81Å; L1959-V1998 HydrophobicContact CD1-CG2 4.47Å; L1959-P2007 HydrophobicContact CD1-CB 4.35Å; L1959-P2007 HydrophobicContact CD1-CG 3.29Å |
| 1960 | K | 76.6 | Confident | 64.8 | Low | 28 Ų | 28 | 64.2 Ų | 64.2 | 12% | 0.122 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 173.9 | -179.9 | -94.4 | 166.3 | 179.7 | 0 | 111.2 | E1921 L1923 L1956 M1957 K1958 Q1962 G1963 H1964 | E1921-K1960 WeakPolarHBondContact OE1-CE 3.4Å; E1921-K1960 IonicContact OE1-NZ 2.7Å; E1921-K1960 PolarHBondContact OE1-NZ 2.86Å; E1921-K1960 WeakPolarHBondContact OE2-CE 3.19Å; E1921-K1960 IonicContact OE2-NZ 3.74Å; E1921-K1960 PolarHBondContact OE2-NZ 2.81Å; L1923-K1960 HydrophobicContact CD2-CB 4.12Å; L1923-K1960 HydrophobicContact CD2-CG 4.17Å; L1956-K1960 WeakPolarHBondContact O-CB 3.27Å; L1956-K1960 PolarHBondContact O-N 2.72Å; M1957-K1960 PolarHBondContact O-N 3.01Å; K1958-K1960 PolarHBondContact O-N 2.79Å; K1960-Q1962 PolarHBondContact O-N 2.87Å; K1960-G1963 PolarHBondContact O-N 3Å; K1960-H1964 VanDerWaalsContact CE-CE1 3.42Å; K1960-H1964 WeakPolarHBondContact CE-CE1 3.45Å; K1960-H1964 PolarHBondContact O-ND1 2.83Å |
| 1961 | S | 70.6 | Confident | 61.7 | Low | 70 Ų | 70 | 69.5 Ų | 69.5 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 178.5 | 71.8 | 0 | 0 | 0 | 0 | 112.7 | M1957 K1958 G1963 H1964 | M1957-S1961 WeakPolarHBondContact O-CB 3.3Å; M1957-S1961 PolarHBondContact O-N 2.9Å; M1957-S1961 PolarHBondContact O-OG 2.95Å; K1958-S1961 PolarHBondContact O-N 2.79Å; K1958-S1961 PolarHBondContact O-OG 3.28Å; S1961-G1963 VanDerWaalsContact C-N 3.28Å; S1961-G1963 PolarHBondContact O-N 2.71Å; S1961-H1964 PolarHBondContact O-N 2.57Å |
| 1962 | Q | 63.6 | Low | 58.5 | Low | 129 Ų | 129 | 75.6 Ų | 75.6 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.6 | -28.8 | 176.2 | -71.6 | 173.8 | -22.7 | 0 | 0 | 112.7 | K1958 L1959 K1960 H1964 | K1958-Q1962 WeakPolarHBondContact O-CG 3.45Å; K1958-Q1962 PolarHBondContact O-N 2.91Å; L1959-Q1962 PolarHBondContact O-N 3.31Å; K1960-Q1962 PolarHBondContact O-N 2.87Å; Q1962-H1964 VanDerWaalsContact C-N 3.33Å; Q1962-H1964 PolarHBondContact O-N 3.08Å |
| 1963 | G | 50 | Low | 55.7 | Low | 45 Ų | 45 | 79.1 Ų | 79.1 | 46% | 0.464 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.4 | -25.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | L1959 K1960 S1961 | L1959-G1963 PolarHBondContact O-N 2.81Å; K1960-G1963 PolarHBondContact O-N 3Å; S1961-G1963 VanDerWaalsContact C-N 3.28Å; S1961-G1963 PolarHBondContact O-N 2.71Å |
| 1964 | H | 40.2 | Very low | 52.7 | Low | 107 Ų | 107 | 82.6 Ų | 82.6 | 50% | 0.495 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -89.8 | -16.9 | -176.1 | -69.1 | 66.5 | 0 | 0 | 0 | 113.1 | K1960 S1961 Q1962 M1966 | K1960-H1964 VanDerWaalsContact CE-CE1 3.42Å; K1960-H1964 WeakPolarHBondContact CE-CE1 3.45Å; K1960-H1964 PolarHBondContact O-ND1 2.83Å; S1961-H1964 PolarHBondContact O-N 2.57Å; Q1962-H1964 VanDerWaalsContact C-N 3.33Å; Q1962-H1964 PolarHBondContact O-N 3.08Å; H1964-M1966 PolarHBondContact O-N 2.9Å |
| 1965 | S | 31.4 | Very low | 49.8 | Very low | 105 Ų | 105 | 84.4 Ų | 84.4 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 14.9 | 179.6 | -170.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1966 | M | 27.6 | Very low | 47 | Very low | 162 Ų | 162 | 88.7 Ų | 88.7 | 80% | 0.798 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 16.7 | -168.3 | -71.6 | -70.3 | -67.8 | 0 | 0 | 113.6 | H1964 | H1964-M1966 PolarHBondContact O-N 2.9Š|
| 1967 | S | 27.7 | Very low | 44.3 | Very low | 111 Ų | 111 | 91.5 Ų | 91.5 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -127 | 25 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1968 | G | 25.4 | Very low | 41.6 | Very low | 84 Ų | 84 | 94.9 Ų | 94.9 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | trans | -128 | 91.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1969 | G | 26.5 | Very low | 39.2 | Very low | 83 Ų | 83 | 92.1 Ų | 92.1 | 86% | 0.856 | 69% | 0.687 | S | S | * | * | trans | 169.4 | 32.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1970 | G | 27.3 | Very low | 37.1 | Very low | 78 Ų | 78 | 92.9 Ų | 92.9 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -98.2 | 94.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1972 | G1970-T1972 PolarHBondContact O-N 2.84Š| ||
| 1971 | S | 30.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 94.4 Ų | 94.4 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -73.9 | 118.1 | 158.4 | -65.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1972 | T | 29.5 | Very low | 33 | Very low | 129 Ų | 129 | 93.4 Ų | 93.4 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | -57.1 | 152 | 146.5 | 48 | 0 | 0 | 0 | 0 | 108 | G1970 | G1970-T1972 PolarHBondContact O-N 2.84Š| ||
| 1973 | V | 34.2 | Very low | 31.4 | Very low | 136 Ų | 136 | 94.3 Ų | 94.3 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | cis | -132 | 143 | 29.5 | -176.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 1974 | G | 30.5 | Very low | 30.6 | Very low | 73 Ų | 73 | 97.4 Ų | 97.4 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | 71.3 | 131.8 | 70.9 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 1975 | G | 29.3 | Very low | 30.2 | Very low | 68 Ų | 68 | 98.1 Ų | 98.1 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | 169.7 | 155.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1976 | S | 30.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 96.9 Ų | 96.9 | 96% | 0.958 | 76% | 0.76 | S | S | * | * | trans | 65.2 | 156 | 164.6 | -58.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1977 | G | 30.5 | Very low | 30.2 | Very low | 76 Ų | 76 | 97.5 Ų | 97.5 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | cis | 174.8 | 165.5 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1978 | G | 31.3 | Very low | 30.2 | Very low | 89 Ų | 89 | 95.8 Ų | 95.8 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | trans | 83.6 | 144.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1979 | G | 32.4 | Very low | 30.3 | Very low | 62 Ų | 62 | 95.7 Ų | 95.7 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | cis | 135.3 | 148.5 | -6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1980 | S | 32.4 | Very low | 30.3 | Very low | 58 Ų | 58 | 97 Ų | 97 | 41% | 0.406 | 77% | 0.767 | S | S | . | * | cis | -170.1 | 167.7 | -16.9 | -116 | 0 | 0 | 0 | 0 | 111.3 | H796 N797 V798 | H796-S1980 PolarHBondContact ND1-OG 2.8Å; N797-S1980 WeakPolarHBondContact O-CB 3.48Å; N797-S1980 PolarHBondContact O-OG 2.88Å; V798-S1980 VanDerWaalsContact CG2-CB 3.49Å | ||
| 1981 | G | 31.4 | Very low | 30.4 | Very low | 60 Ų | 60 | 98.5 Ų | 98.5 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | trans | 133.5 | 120.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1982 | G | 30.7 | Very low | 30.3 | Very low | 48 Ų | 48 | 96.2 Ų | 96.2 | 50% | 0.495 | 76% | 0.756 | S | S | . | * | cis | 180 | 150.6 | -11.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1983 | N | 30.9 | Very low | 30.3 | Very low | 148 Ų | 148 | 99.7 Ų | 99.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 73.5 | 148.8 | 157 | -61 | -1.7 | 0 | 0 | 0 | 120.8 | ||||
| 1984 | V | 32 | Very low | 30.4 | Very low | 111 Ų | 111 | 100.6 Ų | 100.6 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | -177.2 | 158 | -64.1 | 146.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1985 | S | 31.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | 105.7 | 134.6 | 166.4 | 77.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1986 | G | 31.1 | Very low | 30.4 | Very low | 79 Ų | 79 | 100.9 Ų | 100.9 | 81% | 0.814 | 72% | 0.72 | S | S | * | * | cis | -161.1 | 150 | -9.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1987 | L | 27.9 | Very low | 30.4 | Very low | 175 Ų | 175 | 101.9 Ų | 101.9 | 92% | 0.916 | 71% | 0.707 | S | S | * | * | trans | -149.8 | 118.9 | -173.6 | -158.8 | 169.7 | 0 | 0 | 0 | 110.8 | ||||
| 1988 | G | 28 | Very low | 30.8 | Very low | 76 Ų | 76 | 100.4 Ų | 100.4 | 78% | 0.784 | 68% | 0.683 | S | S | * | * | trans | -118.3 | 139.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1989 | G | 27.1 | Very low | 30.9 | Very low | 82 Ų | 82 | 98 Ų | 98 | 85% | 0.845 | 65% | 0.647 | S | S | * | * | trans | 172.9 | 125.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1990 | A | 27.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 100.1 Ų | 100.1 | 90% | 0.901 | 64% | 0.643 | S | S | * | * | trans | -133.6 | 7.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1991 | A | 28.9 | Very low | 31.3 | Very low | 110 Ų | 110 | 102.7 Ų | 102.7 | 91% | 0.909 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -101.1 | 20.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1992 | S | 28.9 | Very low | 31.6 | Very low | 73 Ų | 73 | 102.3 Ų | 102.3 | 51% | 0.51 | 63% | 0.634 | S | S | . | * | trans | -126.8 | 16.3 | -158 | -141.6 | 0 | 0 | 0 | 0 | 118 | K374 | K374-S1992 PolarHBondContact NZ-O 2.82Å; K374-S1992 PolarHBondContact NZ-OG 3.3Å | ||
| 1993 | K | 29.3 | Very low | 32 | Very low | 202 Ų | 202 | 109.8 Ų | 109.8 | 88% | 0.878 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -79.9 | -41 | 178 | -84.6 | -176.4 | 175.7 | 176.4 | 0 | 114.8 | G1995 | K1993-G1995 VanDerWaalsContact C-N 3.35Å; K1993-G1995 PolarHBondContact O-N 2.56Å |
| 1994 | F | 35.4 | Very low | 32.6 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -61.2 | -34.7 | -177.7 | -94.2 | -86.7 | 0 | 0 | 0 | 115.1 | K1996 | F1994-K1996 PolarHBondContact O-N 2.76Š|
| 1995 | G | 30.5 | Very low | 33.6 | Very low | 17 Ų | 17 | 110.5 Ų | 110.5 | 18% | 0.175 | 64% | 0.636 | C | S | . | * | G | 310 helix | trans | -69.1 | 2.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | N373 K1993 K1999 | N373-G1995 PolarHBondContact ND2-O 2.81Å; K1993-G1995 VanDerWaalsContact C-N 3.35Å; K1993-G1995 PolarHBondContact O-N 2.56Å; G1995-K1999 WeakPolarHBondContact O-CD 3.43Å; G1995-K1999 VanDerWaalsContact O-CG 3.22Å; G1995-K1999 WeakPolarHBondContact O-CG 3.45Å |
| 1996 | K | 29.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 107 Ų | 107 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -95.7 | -13.1 | -177.1 | -97.7 | -172.8 | 175.9 | -177.2 | 0 | 116.5 | F1994 K1999 | F1994-K1996 PolarHBondContact O-N 2.76Å; K1996-K1999 VanDerWaalsContact C-CG 3.49Å; K1996-K1999 HydrophobicContact CB-CD 4.33Å; K1996-K1999 HydrophobicContact CG-CD 4.09Å; K1996-K1999 VanDerWaalsContact O-CD 3.29Å; K1996-K1999 WeakPolarHBondContact O-CD 3.44Å; K1996-K1999 VanDerWaalsContact O-CG 3.26Å; K1996-K1999 WeakPolarHBondContact O-CG 3.35Å |
| 1997 | F | 30.9 | Very low | 38.3 | Very low | 157 Ų | 157 | 103.8 Ų | 103.8 | 69% | 0.689 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -37 | -180 | -89 | -84.5 | 0 | 0 | 0 | 115.7 | K1999 L2000 | F1997-K1999 PolarHBondContact O-N 2.71Å; F1997-L2000 PolarHBondContact O-N 3.36Å; F1997-L2000 VanDerWaalsContact O-N 3.16Å |
| 1998 | V | 38.4 | Very low | 41.3 | Very low | 46 Ų | 46 | 96.5 Ų | 96.5 | 28% | 0.279 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -54 | -25.2 | 173.4 | -176 | 0 | 0 | 0 | 0 | 111.9 | L1959 L2000 F2001 | L1959-V1998 HydrophobicContact CD1-CG2 4.47Å; V1998-L2000 PolarHBondContact O-N 2.68Å; V1998-F2001 PolarHBondContact O-N 2.98Å |
| 1999 | K | 34.6 | Very low | 44.3 | Very low | 37 Ų | 37 | 97.8 Ų | 97.8 | 16% | 0.161 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -38.3 | -41.4 | 171.9 | -60.3 | -159.5 | 53.8 | 115.2 | 0 | 114.3 | N372 N373 G1995 K1996 F1997 F2001 | N372-K1999 VanDerWaalsContact CA-O 3.3Å; N372-K1999 WeakPolarHBondContact CA-O 3.16Å; N372-K1999 HydrophobicContact CB-CB 3.97Å; N372-K1999 HydrophobicContact CB-CD 4.42Å; N372-K1999 PolarHBondContact N-O 2.8Å; N372-K1999 WeakPolarHBondContact O-CE 3.48Å; N372-K1999 PolarHBondContact O-NZ 3.38Å; N372-K1999 WeakPolarHBondContact OD1-CB 3.45Å; N372-K1999 PolarHBondContact OD1-O 3.17Å; N373-K1999 WeakPolarHBondContact O-CD 3.35Å; N373-K1999 WeakPolarHBondContact O-CE 3.46Å; N373-K1999 WeakPolarHBondContact O-CG 3.42Å; N373-K1999 PolarHBondContact O-NZ 2.64Å; N373-K1999 PolarHBondContact OD1-N 3.45Å; G1995-K1999 WeakPolarHBondContact O-CD 3.43Å; G1995-K1999 VanDerWaalsContact O-CG 3.22Å; G1995-K1999 WeakPolarHBondContact O-CG 3.45Å; K1996-K1999 VanDerWaalsContact C-CG 3.49Å; K1996-K1999 HydrophobicContact CB-CD 4.33Å; K1996-K1999 HydrophobicContact CG-CD 4.09Å; K1996-K1999 VanDerWaalsContact O-CD 3.29Å; K1996-K1999 WeakPolarHBondContact O-CD 3.44Å; K1996-K1999 VanDerWaalsContact O-CG 3.26Å; K1996-K1999 WeakPolarHBondContact O-CG 3.35Å; F1997-K1999 PolarHBondContact O-N 2.71Å; K1999-F2001 VanDerWaalsContact C-N 3.29Å; K1999-F2001 PolarHBondContact O-N 2.95Å |
| 2000 | L | 38.2 | Very low | 47.5 | Very low | 108 Ų | 108 | 98.7 Ų | 98.7 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -76.6 | -7.2 | -170.7 | -101.1 | 145.5 | 0 | 0 | 0 | 115.4 | I371 N372 F1997 V1998 | I371-L2000 VanDerWaalsContact CG2-CA 3.41Å; I371-L2000 HydrophobicContact CG2-CB 4.27Å; I371-L2000 HydrophobicContact CG2-CD2 3.85Å; I371-L2000 HydrophobicContact CG2-CG 4.07Å; I371-L2000 VanDerWaalsContact CG2-O 3.32Å; I371-L2000 WeakPolarHBondContact CG2-O 3.45Å; N372-L2000 PolarHBondContact OD1-N 2.7Å; F1997-L2000 PolarHBondContact O-N 3.36Å; F1997-L2000 VanDerWaalsContact O-N 3.16Å; V1998-L2000 PolarHBondContact O-N 2.68Å |
| 2001 | F | 34.6 | Very low | 50.5 | Low | 111 Ų | 111 | 94.7 Ų | 94.7 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -97.1 | 128.9 | 174.2 | -76.2 | -91.6 | 0 | 0 | 0 | 111.4 | V1998 K1999 F2005 | V1998-F2001 PolarHBondContact O-N 2.98Å; K1999-F2001 VanDerWaalsContact C-N 3.29Å; K1999-F2001 PolarHBondContact O-N 2.95Å; F2001-F2005 HydrophobicContact CB-CB 4.31Å; F2001-F2005 HydrophobicContact CD1-CB 3.92Å |
| 2002 | P | 36.3 | Very low | 53.4 | Low | 53 Ų | 53 | 93.4 Ų | 93.4 | 34% | 0.344 | 45% | 0.45 | S | S | . | . | trans | -48.3 | 141 | 165.7 | -29.6 | 34.8 | 0 | 0 | 0 | 111.7 | R2004 F2005 | P2002-R2004 HydrophobicContact CB-CG 4.2Å; P2002-R2004 PolarHBondContact O-N 2.66Å; P2002-F2005 HydrophobicContact CB-CD2 4.17Å; P2002-F2005 HydrophobicContact CG-CD2 4.22Å; P2002-F2005 PolarHBondContact O-N 3.4Å | ||
| 2003 | K | 40.5 | Very low | 56.3 | Low | 205 Ų | 205 | 95.7 Ų | 95.7 | 89% | 0.891 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -47.5 | -32.7 | -173.4 | -71.5 | 179.2 | -179.8 | 171.8 | 0 | 114.1 | F2005 S2006 | K2003-F2005 PolarHBondContact O-N 3.49Å; K2003-S2006 WeakPolarHBondContact O-CB 3.45Å; K2003-S2006 PolarHBondContact O-N 2.71Å |
| 2004 | R | 43.1 | Very low | 59.4 | Low | 158 Ų | 158 | 86 Ų | 86 | 60% | 0.596 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -62.2 | -20.7 | 176.1 | 69.2 | -178.7 | -176.3 | -166.3 | -0.7 | 115.4 | P2002 | P2002-R2004 HydrophobicContact CB-CG 4.2Å; P2002-R2004 PolarHBondContact O-N 2.66Å |
| 2005 | F | 52.1 | Low | 62.2 | Low | 115 Ų | 115 | 84 Ų | 84 | 50% | 0.504 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -109.7 | 15 | 179.3 | -58 | -53.9 | 0 | 0 | 0 | 113 | F2001 P2002 K2003 | F2001-F2005 HydrophobicContact CB-CB 4.31Å; F2001-F2005 HydrophobicContact CD1-CB 3.92Å; P2002-F2005 HydrophobicContact CB-CD2 4.17Å; P2002-F2005 HydrophobicContact CG-CD2 4.22Å; P2002-F2005 PolarHBondContact O-N 3.4Å; K2003-F2005 PolarHBondContact O-N 3.49Å |
| 2006 | S | 76.3 | Confident | 65.2 | Low | 48 Ų | 48 | 84.6 Ų | 84.6 | 34% | 0.336 | 41% | 0.411 | S | S | . | . | trans | -56.3 | 128.7 | 172 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | K2003 S2008 | K2003-S2006 WeakPolarHBondContact O-CB 3.45Å; K2003-S2006 PolarHBondContact O-N 2.71Å; S2006-S2008 PolarHBondContact O-N 3.14Å; S2006-S2008 PolarHBondContact OG-N 2.7Å; S2006-S2008 PolarHBondContact OG-O 3.32Å | ||
| 2007 | P | 85.2 | Confident | 68.3 | Low | 12 Ų | 12 | 78.4 Ų | 78.4 | 8% | 0.078 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -58.3 | -22.2 | 176.3 | -19 | 25.7 | 0 | 0 | 0 | 113.6 | H1951 N1952 L1956 L1959 | H1951-P2007 CarbonylContact C-O 3.57Å; H1951-P2007 WeakPolarHBondContact CA-O 3.37Å; N1952-P2007 PolarHBondContact N-O 3.16Å; L1956-P2007 HydrophobicContact CG-CB 4Å; L1959-P2007 HydrophobicContact CD1-CB 4.35Å; L1959-P2007 HydrophobicContact CD1-CG 3.29Å |
| 2008 | S | 91.9 | Very high | 71.3 | Confident | 21 Ų | 21 | 74.9 Ų | 74.9 | 15% | 0.147 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.5 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 109.3 | A1950 H1951 S2006 | A1950-S2008 WeakPolarHBondContact O-CA 3.21Å; H1951-S2008 WeakPolarHBondContact ND1-CB 3.41Å; H1951-S2008 PolarHBondContact ND1-OG 2.91Å; S2006-S2008 PolarHBondContact O-N 3.14Å; S2006-S2008 PolarHBondContact OG-N 2.7Å; S2006-S2008 PolarHBondContact OG-O 3.32Å |
| 2009 | K | 91.3 | Very high | 74 | Confident | 103 Ų | 103 | 77.7 Ų | 77.7 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.6 | -179.2 | -177.8 | -175.1 | 172 | -169.4 | 0 | 109.4 | Y1949 A1950 M2011 | Y1949-K2009 CarbonylContact C-O 3.58Å; Y1949-K2009 WeakPolarHBondContact CA-O 3.23Å; A1950-K2009 PolarHBondContact N-O 2.84Å; A1950-K2009 PolarHBondContact O-N 2.85Å; K2009-M2011 HydrophobicContact CB-CE 4.14Å; K2009-M2011 HydrophobicContact CD-CE 3.85Å; K2009-M2011 HydrophobicContact CG-CE 3.78Å; K2009-M2011 WeakPolarHBondContact O-CE 3.44Å |
| 2010 | K | 93.1 | Very high | 76.9 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 135.5 | 166 | -77 | 166.2 | 164.9 | -87.1 | 0 | 109.5 | Y1949 | Y1949-K2010 HydrophobicContact CD1-CG 3.85Å; Y1949-K2010 HydrophobicContact CE1-CB 4.47Å; Y1949-K2010 HydrophobicContact CE1-CD 4.27Å; Y1949-K2010 HydrophobicContact CE1-CG 3.32Å; Y1949-K2010 HydrophobicContact CE2-CG 4.41Å; Y1949-K2010 VanDerWaalsContact OH-CE 3.29Å; Y1949-K2010 WeakPolarHBondContact OH-CE 3.35Å; Y1949-K2010 PolarHBondContact OH-NZ 3.37Å; Y1949-K2010 VanDerWaalsContact OH-NZ 3.09Å |
| 2011 | M | 91.7 | Very high | 79.7 | Confident | 25 Ų | 25 | 73.3 Ų | 73.3 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 133 | 164 | -59.6 | -59.9 | 96 | 0 | 0 | 108.5 | M1939 Q1947 L1948 A1950 K2009 T2014 | M1939-M2011 HydrophobicContact CE-CG 4.44Å; Q1947-M2011 PolarHBondContact NE2-O 3.28Å; L1948-M2011 HydrophobicContact CB-CB 4.22Å; L1948-M2011 HydrophobicContact CB-CG 4.11Å; L1948-M2011 HydrophobicContact CD2-CG 4.12Å; L1948-M2011 HydrophobicContact CG-CG 4.08Å; L1948-M2011 WeakPolarHBondContact O-CB 3.1Å; L1948-M2011 WeakPolarHBondContact O-CG 3.48Å; L1948-M2011 PolarHBondContact O-N 3.28Å; A1950-M2011 HydrophobicContact CB-CE 3.66Å; K2009-M2011 HydrophobicContact CB-CE 4.14Å; K2009-M2011 HydrophobicContact CD-CE 3.85Å; K2009-M2011 HydrophobicContact CG-CE 3.78Å; K2009-M2011 WeakPolarHBondContact O-CE 3.44Å; M2011-T2014 HydrophobicContact CB-CG2 4.18Å; M2011-T2014 PolarHBondContact O-OG1 2.83Å |
| 2012 | P | 88.8 | Confident | 82.6 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 155.2 | 166.8 | -23.4 | 34.8 | 0 | 0 | 0 | 111.1 | T2014 | P2012-T2014 WeakPolarHBondContact O-CG2 3.06Å; P2012-T2014 PolarHBondContact O-N 3.5Å; P2012-T2014 PolarHBondContact O-OG1 2.74Å |
| 2013 | D | 90.1 | Very high | 85.3 | Confident | 120 Ų | 120 | 68.2 Ų | 68.2 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.4 | 159.9 | -41.2 | -43 | 0 | 0 | 0 | 114.4 | R2058 | D2013-R2058 PolarHBondContact O-NH1 3.12Š|
| 2014 | T | 95.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -132.3 | 10.6 | 175.7 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | Q1947 L1948 M2011 P2012 G2016 C2017 L2042 | Q1947-T2014 WeakPolarHBondContact CA-O 3.45Å; Q1947-T2014 WeakPolarHBondContact CG-OG1 3.47Å; L1948-T2014 HydrophobicContact CB-CG2 4.06Å; L1948-T2014 PolarHBondContact N-OG1 2.79Å; M2011-T2014 HydrophobicContact CB-CG2 4.18Å; M2011-T2014 PolarHBondContact O-OG1 2.83Å; P2012-T2014 WeakPolarHBondContact O-CG2 3.06Å; P2012-T2014 PolarHBondContact O-N 3.5Å; P2012-T2014 PolarHBondContact O-OG1 2.74Å; T2014-G2016 PolarHBondContact O-N 3.24Å; T2014-C2017 WeakPolarHBondContact O-CB 3.3Å; T2014-C2017 PolarHBondContact O-N 3.21Å; T2014-L2042 HydrophobicContact CG2-CD2 3.5Å | ||
| 2015 | K | 94.3 | Very high | 90 | Very high | 113 Ų | 113 | 57.7 Ų | 57.7 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 119.2 | 172.7 | 175.8 | -168.1 | 176.3 | -166.5 | 0 | 108.2 | E382 H1945 M2037 | E382-K2015 IonicContact OE1-NZ 3.03Å; E382-K2015 PolarHBondContact OE1-NZ 2.83Å; E382-K2015 IonicContact OE2-NZ 3.4Å; H1945-K2015 HydrophobicContact CB-CG 4.38Å; K2015-M2037 WeakPolarHBondContact O-CE 3.23Å |
| 2016 | G | 91.7 | Very high | 91.6 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 19.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1946 T2014 L2018 | P1946-G2016 PolarHBondContact O-N 3.07Å; T2014-G2016 PolarHBondContact O-N 3.24Å; G2016-L2018 PolarHBondContact O-N 3.12Å |
| 2017 | C | 95.4 | Very high | 92 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | trans | -63.2 | 120.1 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | L1941 P1946 T2014 R2019 A2036 M2037 | L1941-C2017 HydrophobicContact CD2-CB 3.79Å; L1941-C2017 VanDerWaalsContact CD2-SG 3.56Å; P1946-C2017 WeakPolarHBondContact CB-O 3.41Å; P1946-C2017 PolarHBondContact O-N 3.07Å; T2014-C2017 WeakPolarHBondContact O-CB 3.3Å; T2014-C2017 PolarHBondContact O-N 3.21Å; C2017-R2019 PolarHBondContact SG-O 2.88Å; C2017-R2019 VanDerWaalsContact SG-O 3.39Å; C2017-A2036 CarbonylContact C-O 3.58Å; C2017-A2036 WeakPolarHBondContact CA-O 3.44Å; C2017-A2036 PolarHBondContact SG-O 3.44Å; C2017-A2036 VanDerWaalsContact SG-O 3.36Å; C2017-M2037 HydrophobicContact CB-SD 3.79Å | ||
| 2018 | L | 94.3 | Very high | 92 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | trans | -73 | -46.5 | -176.4 | -57.1 | 179.7 | 0 | 0 | 0 | 112.1 | G2016 A2036 M2064 L2068 | G2016-L2018 PolarHBondContact O-N 3.12Å; L2018-A2036 HydrophobicContact CB-CB 4.44Å; L2018-A2036 PolarHBondContact N-O 2.65Å; L2018-M2064 HydrophobicContact CD1-CG 4.28Å; L2018-L2068 HydrophobicContact CB-CD2 4.23Å; L2018-L2068 HydrophobicContact CD1-CD2 4.4Å | ||
| 2019 | R | 94.9 | Very high | 91.7 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 152.8 | -179.4 | -109.7 | 172.5 | 168.6 | -169.2 | -7.6 | 110.6 | C2017 A2035 A2036 L2068 L2069 F2071 | C2017-R2019 PolarHBondContact SG-O 2.88Å; C2017-R2019 VanDerWaalsContact SG-O 3.39Å; R2019-A2035 CarbonylContact O-C 3.5Å; R2019-A2035 WeakPolarHBondContact O-CA 3.34Å; R2019-A2036 PolarHBondContact O-N 2.95Å; R2019-L2068 HydrophobicContact CB-CD2 4.27Å; R2019-L2068 PolarHBondContact NH1-O 2.85Å; R2019-L2069 PolarHBondContact NH1-O 2.61Å; R2019-F2071 HydrophobicContact CB-CB 4.19Å; R2019-F2071 HydrophobicContact CB-CD1 4.13Å; R2019-F2071 HydrophobicContact CB-CG 4.17Å |
| 2020 | A | 96.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | W1930 L1941 C2034 A2035 | W1930-A2020 HydrophobicContact CD2-CB 4.2Å; W1930-A2020 VanDerWaalsContact CE2-O 3.31Å; W1930-A2020 HydrophobicContact CE3-CB 3.94Å; W1930-A2020 HydrophobicContact CH2-CB 4.09Å; W1930-A2020 HydrophobicContact CZ2-CB 4.34Å; W1930-A2020 HydrophobicContact CZ3-CB 3.9Å; W1930-A2020 PolarHBondContact NE1-O 2.98Å; L1941-A2020 HydrophobicContact CD1-CB 3.78Å; L1941-A2020 HydrophobicContact CD2-CB 4.29Å; L1941-A2020 HydrophobicContact CG-CB 4.03Å; A2020-C2034 CarbonylContact C-O 3.48Å; A2020-C2034 VanDerWaalsContact CA-O 3.27Å; A2020-C2034 WeakPolarHBondContact CA-O 3.32Å; A2020-A2035 HydrophobicContact CB-CB 4.25Å |
| 2021 | N | 95.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 56.3 Ų | 56.3 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 154.2 | 179.2 | -162 | -8.6 | 0 | 0 | 0 | 109.7 | L2033 C2034 F2071 L2073 | N2021-L2033 WeakPolarHBondContact O-CA 3.03Å; N2021-C2034 PolarHBondContact N-O 3.09Å; N2021-C2034 PolarHBondContact O-N 3.09Å; N2021-F2071 HydrophobicContact CB-CD1 3.89Å; N2021-F2071 HydrophobicContact CB-CE1 4.25Å; N2021-F2071 PolarHBondContact ND2-O 3.43Å; N2021-L2073 VanDerWaalsContact C-CD1 3.48Å; N2021-L2073 HydrophobicContact CB-CD1 3.68Å; N2021-L2073 HydrophobicContact CB-CG 4.29Å; N2021-L2073 WeakPolarHBondContact O-CD1 3.22Å |
| 2022 | V | 95.5 | Very high | 92 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.2 | -178.2 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | W1930 Y2032 L2033 F2053 | W1930-V2022 HydrophobicContact CH2-CG2 3.74Å; W1930-V2022 HydrophobicContact CZ2-CG2 3.83Å; V2022-Y2032 WeakPolarHBondContact CA-O 3.5Å; V2022-L2033 HydrophobicContact CG2-CB 3.85Å; V2022-L2033 HydrophobicContact CG2-CD1 3.85Å; V2022-L2033 HydrophobicContact CG2-CG 3.7Å; V2022-F2053 HydrophobicContact CG1-CZ 4.02Å; V2022-F2053 HydrophobicContact CG2-CZ 4.28Å |
| 2023 | T | 93.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 159.7 | 175.3 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | K2031 Y2032 L2073 I2075 P2082 | T2023-K2031 CarbonylContact O-C 3.47Å; T2023-K2031 VanDerWaalsContact O-CA 3.24Å; T2023-K2031 WeakPolarHBondContact O-CA 3.3Å; T2023-Y2032 PolarHBondContact N-O 3.27Å; T2023-Y2032 PolarHBondContact O-N 2.9Å; T2023-L2073 HydrophobicContact CG2-CB 3.73Å; T2023-L2073 HydrophobicContact CG2-CD1 4.02Å; T2023-L2073 HydrophobicContact CG2-CG 4.37Å; T2023-I2075 HydrophobicContact CG2-CD1 3.82Å; T2023-P2082 HydrophobicContact CG2-CB 4.35Å; T2023-P2082 HydrophobicContact CG2-CG 4.1Å |
| 2024 | R | 92.4 | Very high | 92.8 | Very high | 139 Ų | 139 | 45.7 Ų | 45.7 | 53% | 0.525 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.9 | 164.9 | 179.5 | 179.1 | 177.8 | -111.2 | -0.6 | 108.7 | P2026 G2029 A2030 K2031 | R2024-P2026 VanDerWaalsContact O-CD 3.29Å; R2024-P2026 WeakPolarHBondContact O-CD 3.42Å; R2024-G2029 PolarHBondContact NE-O 3.42Å; R2024-A2030 CarbonylContact C-O 3.59Å; R2024-A2030 WeakPolarHBondContact CA-O 3.49Å; R2024-K2031 HydrophobicContact CB-CG 4.06Å; R2024-K2031 HydrophobicContact CG-CG 4.06Å |
| 2025 | N | 90.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | trans | -70.1 | 114.9 | 166.8 | -178.5 | -27.2 | 0 | 0 | 0 | 108.6 | F2027 N2028 G2029 A2030 Y2032 I2075 | N2025-F2027 PolarHBondContact O-N 3.17Å; N2025-F2027 WeakPolarHBondContact OD1-CB 3.34Å; N2025-F2027 WeakPolarHBondContact OD1-CD2 3.16Å; N2025-F2027 PolarHBondContact OD1-N 2.91Å; N2025-N2028 WeakPolarHBondContact CB-OD1 3.49Å; N2025-N2028 PolarHBondContact OD1-N 2.84Å; N2025-G2029 CarbonylContact O-C 3.12Å; N2025-G2029 WeakPolarHBondContact O-CA 3.3Å; N2025-G2029 PolarHBondContact O-N 2.92Å; N2025-A2030 PolarHBondContact N-O 2.86Å; N2025-Y2032 HydrophobicContact CB-CE2 4.08Å; N2025-I2075 HydrophobicContact CB-CD1 3.88Å; N2025-I2075 HydrophobicContact CB-CG1 4.48Å; N2025-I2075 HydrophobicContact CB-CG2 4.12Å | ||
| 2026 | P | 86.2 | Confident | 93 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -17.6 | -177.1 | 30 | -34.9 | 0 | 0 | 0 | 113 | R2024 | R2024-P2026 VanDerWaalsContact O-CD 3.29Å; R2024-P2026 WeakPolarHBondContact O-CD 3.42Å |
| 2027 | F | 85.5 | Confident | 93.1 | Very high | 96 Ų | 96 | 39.9 Ų | 39.9 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -30.4 | -173 | -52.7 | -71.2 | 0 | 0 | 0 | 113.8 | N2025 I2075 K2077 H2240 | N2025-F2027 PolarHBondContact O-N 3.17Å; N2025-F2027 WeakPolarHBondContact OD1-CB 3.34Å; N2025-F2027 WeakPolarHBondContact OD1-CD2 3.16Å; N2025-F2027 PolarHBondContact OD1-N 2.91Å; F2027-I2075 HydrophobicContact CD2-CG2 3.87Å; F2027-I2075 HydrophobicContact CE2-CG2 3.96Å; F2027-K2077 HydrophobicContact CD1-CB 4.39Å; F2027-K2077 HydrophobicContact CD1-CD 4.08Å; F2027-K2077 HydrophobicContact CD1-CG 3.74Å; F2027-K2077 HydrophobicContact CD2-CB 4.13Å; F2027-K2077 HydrophobicContact CD2-CG 4.25Å; F2027-K2077 HydrophobicContact CE1-CB 4.12Å; F2027-K2077 HydrophobicContact CE1-CD 3.78Å; F2027-K2077 HydrophobicContact CE1-CG 3.75Å; F2027-K2077 HydrophobicContact CE2-CB 3.85Å; F2027-K2077 HydrophobicContact CE2-CG 4.26Å; F2027-K2077 HydrophobicContact CG-CB 4.39Å; F2027-K2077 HydrophobicContact CG-CG 3.99Å; F2027-K2077 HydrophobicContact CZ-CB 3.84Å; F2027-K2077 HydrophobicContact CZ-CD 4.26Å; F2027-K2077 HydrophobicContact CZ-CG 4.01Å; F2027-H2240 HydrophobicContact CZ-CB 4.34Å |
| 2028 | N | 85.1 | Confident | 92.8 | Very high | 91 Ų | 91 | 44 Ų | 44 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -5.3 | 173.1 | 71.1 | 4.6 | 0 | 0 | 0 | 113.2 | N2025 A2030 | N2025-N2028 WeakPolarHBondContact CB-OD1 3.49Å; N2025-N2028 PolarHBondContact OD1-N 2.84Å; N2028-A2030 PolarHBondContact O-N 3.17Å; N2028-A2030 VanDerWaalsContact OD1-CB 3.26Å; N2028-A2030 WeakPolarHBondContact OD1-CB 3.49Å; N2028-A2030 PolarHBondContact OD1-N 3.49Å |
| 2029 | G | 85.4 | Confident | 92.6 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | 76 | -5.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R2024 N2025 | R2024-G2029 PolarHBondContact NE-O 3.42Å; N2025-G2029 CarbonylContact O-C 3.12Å; N2025-G2029 WeakPolarHBondContact O-CA 3.3Å; N2025-G2029 PolarHBondContact O-N 2.92Å | ||
| 2030 | A | 90 | Very high | 92.6 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | trans | -65 | 157.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2024 N2025 N2028 Y2032 | R2024-A2030 CarbonylContact C-O 3.59Å; R2024-A2030 WeakPolarHBondContact CA-O 3.49Å; N2025-A2030 PolarHBondContact N-O 2.86Å; N2028-A2030 PolarHBondContact O-N 3.17Å; N2028-A2030 VanDerWaalsContact OD1-CB 3.26Å; N2028-A2030 WeakPolarHBondContact OD1-CB 3.49Å; N2028-A2030 PolarHBondContact OD1-N 3.49Å; A2030-Y2032 HydrophobicContact CB-CE1 4.47Å; A2030-Y2032 HydrophobicContact CB-CE2 3.99Å; A2030-Y2032 VanDerWaalsContact CB-OH 3.26Å; A2030-Y2032 WeakPolarHBondContact CB-OH 3.29Å | ||
| 2031 | K | 95.2 | Very high | 92.5 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 27% | 0.274 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136 | 177.9 | -53.3 | -178.9 | 174.6 | -166.4 | 0 | 110.3 | T1934 T2023 R2024 W2046 | T1934-K2031 HydrophobicContact CG2-CD 3.74Å; T2023-K2031 CarbonylContact O-C 3.47Å; T2023-K2031 VanDerWaalsContact O-CA 3.24Å; T2023-K2031 WeakPolarHBondContact O-CA 3.3Å; R2024-K2031 HydrophobicContact CB-CG 4.06Å; R2024-K2031 HydrophobicContact CG-CG 4.06Å; K2031-W2046 HydrophobicContact CB-CB 3.77Å; K2031-W2046 HydrophobicContact CB-CG 4.48Å; K2031-W2046 PolarHBondContact O-N 3.42Å |
| 2032 | Y | 96.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.5 | -176.7 | -58.5 | -67 | 0 | 0 | 0 | 109.7 | V2022 T2023 N2025 A2030 M2044 E2045 I2056 P2080 L2081 P2082 | V2022-Y2032 WeakPolarHBondContact CA-O 3.5Å; T2023-Y2032 PolarHBondContact N-O 3.27Å; T2023-Y2032 PolarHBondContact O-N 2.9Å; N2025-Y2032 HydrophobicContact CB-CE2 4.08Å; A2030-Y2032 HydrophobicContact CB-CE1 4.47Å; A2030-Y2032 HydrophobicContact CB-CE2 3.99Å; A2030-Y2032 VanDerWaalsContact CB-OH 3.26Å; A2030-Y2032 WeakPolarHBondContact CB-OH 3.29Å; Y2032-M2044 CarbonylContact C-O 3.41Å; Y2032-M2044 VanDerWaalsContact CA-O 3.31Å; Y2032-M2044 WeakPolarHBondContact CA-O 3.26Å; Y2032-E2045 HydrophobicContact CD1-CB 4.14Å; Y2032-E2045 HydrophobicContact CD1-CG 4.26Å; Y2032-E2045 HydrophobicContact CE1-CB 3.97Å; Y2032-E2045 HydrophobicContact CE1-CG 3.76Å; Y2032-E2045 PolarHBondContact OH-OE1 3.2Å; Y2032-I2056 HydrophobicContact CD1-CD1 4.01Å; Y2032-I2056 HydrophobicContact CE1-CD1 4.04Å; Y2032-P2080 VanDerWaalsContact CE2-O 3.31Å; Y2032-P2080 WeakPolarHBondContact CE2-O 3.3Å; Y2032-P2080 PolarHBondContact OH-O 2.99Å; Y2032-L2081 HydrophobicContact CD1-CD2 3.99Å; Y2032-L2081 HydrophobicContact CE1-CD2 3.69Å; Y2032-P2082 HydrophobicContact CD2-CG 4.28Å; Y2032-P2082 HydrophobicContact CG-CG 4.41Å |
| 2033 | L | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.9 | 165.3 | -173.1 | 160.9 | 0 | 0 | 0 | 107.2 | W1930 M1939 L1948 N2021 V2022 A2035 M2044 F2053 | W1930-L2033 HydrophobicContact CH2-CD1 4.03Å; W1930-L2033 HydrophobicContact CH2-CG 4.42Å; W1930-L2033 HydrophobicContact CZ3-CD1 4.48Å; M1939-L2033 HydrophobicContact CB-CD1 3.79Å; M1939-L2033 HydrophobicContact CE-CD1 4.05Å; M1939-L2033 HydrophobicContact CG-CD1 3.61Å; L1948-L2033 HydrophobicContact CD2-CD2 3.93Å; N2021-L2033 WeakPolarHBondContact O-CA 3.03Å; V2022-L2033 HydrophobicContact CG2-CB 3.85Å; V2022-L2033 HydrophobicContact CG2-CD1 3.85Å; V2022-L2033 HydrophobicContact CG2-CG 3.7Å; L2033-A2035 HydrophobicContact CD2-CB 4.19Å; L2033-M2044 HydrophobicContact CB-CB 4.46Å; L2033-M2044 HydrophobicContact CD1-CE 4.21Å; L2033-M2044 HydrophobicContact CD2-CE 3.82Å; L2033-M2044 HydrophobicContact CG-CE 4.45Å; L2033-M2044 PolarHBondContact N-O 3.48Å; L2033-M2044 PolarHBondContact O-N 3.37Å; L2033-F2053 HydrophobicContact CB-CD1 3.62Å; L2033-F2053 HydrophobicContact CB-CE1 3.63Å; L2033-F2053 HydrophobicContact CB-CG 4.09Å; L2033-F2053 HydrophobicContact CB-CZ 4.1Å; L2033-F2053 HydrophobicContact CD1-CD2 4.12Å; L2033-F2053 HydrophobicContact CD1-CE2 4.24Å; L2033-F2053 HydrophobicContact CD1-CG 4.33Å |
| 2034 | C | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.9 | 168.7 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | A2020 N2021 I2041 L2042 F2071 L2073 | A2020-C2034 CarbonylContact C-O 3.48Å; A2020-C2034 VanDerWaalsContact CA-O 3.27Å; A2020-C2034 WeakPolarHBondContact CA-O 3.32Å; N2021-C2034 PolarHBondContact N-O 3.09Å; N2021-C2034 PolarHBondContact O-N 3.09Å; C2034-I2041 HydrophobicContact CB-CG2 4.08Å; C2034-L2042 CarbonylContact C-O 3.13Å; C2034-L2042 VanDerWaalsContact CA-O 3.29Å; C2034-L2042 WeakPolarHBondContact CA-O 3.27Å; C2034-F2071 HydrophobicContact CB-CE1 4.13Å; C2034-F2071 HydrophobicContact CB-CZ 4.03Å; C2034-F2071 WeakPolarHBondContact O-CE1 3.44Å; C2034-L2073 HydrophobicContact CB-CD1 4.24Å; C2034-L2073 HydrophobicContact CB-CD2 3.81Å; C2034-L2073 VanDerWaalsContact SG-CD2 3.52Å |
| 2035 | A | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 119.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R2019 A2020 L2033 I2041 L2042 | R2019-A2035 CarbonylContact O-C 3.5Å; R2019-A2035 WeakPolarHBondContact O-CA 3.34Å; A2020-A2035 HydrophobicContact CB-CB 4.25Å; L2033-A2035 HydrophobicContact CD2-CB 4.19Å; A2035-I2041 WeakPolarHBondContact O-CA 3.34Å; A2035-L2042 HydrophobicContact CB-CB 4.3Å; A2035-L2042 PolarHBondContact N-O 3.4Å; A2035-L2042 PolarHBondContact O-N 2.89Å |
| 2036 | A | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | C2017 L2018 R2019 M2064 L2068 F2071 | C2017-A2036 CarbonylContact C-O 3.58Å; C2017-A2036 WeakPolarHBondContact CA-O 3.44Å; C2017-A2036 PolarHBondContact SG-O 3.44Å; C2017-A2036 VanDerWaalsContact SG-O 3.36Å; L2018-A2036 HydrophobicContact CB-CB 4.44Å; L2018-A2036 PolarHBondContact N-O 2.65Å; R2019-A2036 PolarHBondContact O-N 2.95Å; A2036-M2064 HydrophobicContact CB-CE 4.23Å; A2036-M2064 HydrophobicContact CB-SD 4.49Å; A2036-L2068 HydrophobicContact CB-CD2 3.4Å; A2036-L2068 VanDerWaalsContact CB-CD2 3.4Å; A2036-F2071 HydrophobicContact CB-CD2 4.03Å; A2036-F2071 HydrophobicContact CB-CE2 3.56Å; A2036-F2071 HydrophobicContact CB-CZ 3.85Å |
| 2037 | M | 93.9 | Very high | 93 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 9% | 0.089 | 17% | 0.17 | C | C | . | . | trans | -87.2 | -177.1 | 159.4 | -54.6 | -57.4 | -64.2 | 0 | 0 | 108.9 | K2015 C2017 N2039 E2040 | K2015-M2037 WeakPolarHBondContact O-CE 3.23Å; C2017-M2037 HydrophobicContact CB-SD 3.79Å; M2037-N2039 PolarHBondContact O-N 3.4Å; M2037-E2040 HydrophobicContact CB-CG 3.57Å; M2037-E2040 HydrophobicContact CG-CG 3.71Å; M2037-E2040 PolarHBondContact N-O 3.39Å | ||
| 2038 | T | 89.1 | Confident | 92.7 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 54% | 0.54 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -55.9 | -46.1 | 179.4 | -33.4 | 0 | 0 | 0 | 0 | 113.1 | M2064 | T2038-M2064 WeakPolarHBondContact O-CB 3.11Š|
| 2039 | N | 89.5 | Confident | 92 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 41% | 0.406 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -131.8 | 18.2 | -174.9 | -56.8 | 38.9 | 0 | 0 | 0 | 112.6 | M2037 F2060 V2061 | M2037-N2039 PolarHBondContact O-N 3.4Å; N2039-F2060 HydrophobicContact CB-CD2 4.35Å; N2039-F2060 HydrophobicContact CB-CE2 3.8Å; N2039-F2060 WeakPolarHBondContact O-CD2 3.23Å; N2039-V2061 CarbonylContact C-O 3.52Å; N2039-V2061 VanDerWaalsContact CA-O 3.3Å; N2039-V2061 WeakPolarHBondContact CA-O 3.43Å; N2039-V2061 CarbonylContact O-C 3.56Å; N2039-V2061 PolarHBondContact O-N 2.81Å |
| 2040 | E | 94.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 31.2 Ų | 31.2 | 24% | 0.238 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159.9 | 177.8 | 65.7 | 166.2 | -165 | 0 | 0 | 112.8 | M2037 R2058 I2059 | M2037-E2040 HydrophobicContact CB-CG 3.57Å; M2037-E2040 HydrophobicContact CG-CG 3.71Å; M2037-E2040 PolarHBondContact N-O 3.39Å; E2040-R2058 WeakPolarHBondContact OE1-CD 3.34Å; E2040-R2058 IonicContact OE1-CZ 2.72Å; E2040-R2058 IonicContact OE1-NH1 2.76Å; E2040-R2058 PolarHBondContact OE1-NH1 3.4Å; E2040-R2058 WeakPolarHBondContact OE2-CD 3.39Å; E2040-I2059 CarbonylContact C-O 3.45Å; E2040-I2059 WeakPolarHBondContact CA-O 3.31Å; E2040-I2059 WeakPolarHBondContact CB-O 3.43Å |
| 2041 | I | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.8 | 168.2 | -61.3 | 177.4 | 0 | 0 | 0 | 109.1 | C2034 A2035 V2043 R2058 I2059 V2061 M2064 F2071 V2084 V2086 I2107 L2109 | C2034-I2041 HydrophobicContact CB-CG2 4.08Å; A2035-I2041 WeakPolarHBondContact O-CA 3.34Å; I2041-V2043 HydrophobicContact CG2-CG2 4.16Å; I2041-R2058 WeakPolarHBondContact O-CA 3.41Å; I2041-I2059 PolarHBondContact N-O 3.23Å; I2041-I2059 PolarHBondContact O-N 2.83Å; I2041-V2061 HydrophobicContact CD1-CG2 4.18Å; I2041-V2061 HydrophobicContact CG1-CG2 4.1Å; I2041-M2064 HydrophobicContact CD1-CE 4.48Å; I2041-M2064 HydrophobicContact CG1-CE 3.92Å; I2041-F2071 HydrophobicContact CD1-CE2 4.01Å; I2041-F2071 HydrophobicContact CG1-CE2 4.31Å; I2041-F2071 HydrophobicContact CG2-CZ 4.33Å; I2041-V2084 HydrophobicContact CD1-CB 4.17Å; I2041-V2084 HydrophobicContact CD1-CG1 4.14Å; I2041-V2084 HydrophobicContact CD1-CG2 4.12Å; I2041-V2086 HydrophobicContact CD1-CG1 4.47Å; I2041-I2107 HydrophobicContact CD1-CD1 3.67Å; I2041-I2107 HydrophobicContact CD1-CG2 4.5Å; I2041-L2109 HydrophobicContact CG2-CD2 4.38Å |
| 2042 | L | 96.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.5 | 167.4 | 165.5 | 61.8 | 0 | 0 | 0 | 109.3 | T2014 C2034 A2035 M2044 E2055 R2058 | T2014-L2042 HydrophobicContact CG2-CD2 3.5Å; C2034-L2042 CarbonylContact C-O 3.13Å; C2034-L2042 VanDerWaalsContact CA-O 3.29Å; C2034-L2042 WeakPolarHBondContact CA-O 3.27Å; A2035-L2042 HydrophobicContact CB-CB 4.3Å; A2035-L2042 PolarHBondContact N-O 3.4Å; A2035-L2042 PolarHBondContact O-N 2.89Å; L2042-M2044 HydrophobicContact CD1-CG 3.97Å; L2042-M2044 HydrophobicContact CD2-CG 4.42Å; L2042-M2044 HydrophobicContact CD2-SD 4.35Å; L2042-M2044 HydrophobicContact CG-CG 4.02Å; L2042-E2055 HydrophobicContact CD1-CB 4.19Å; L2042-E2055 HydrophobicContact CD1-CG 3.49Å; L2042-E2055 VanDerWaalsContact CD1-CG 3.49Å; L2042-E2055 WeakPolarHBondContact CD1-OE2 3.48Å; L2042-R2058 HydrophobicContact CD1-CG 4.07Å |
| 2043 | V | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.9 | 179.4 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | I2041 I2056 K2057 L2081 L2109 | I2041-V2043 HydrophobicContact CG2-CG2 4.16Å; V2043-I2056 HydrophobicContact CG1-CD1 3.93Å; V2043-I2056 PolarHBondContact O-N 2.88Å; V2043-K2057 HydrophobicContact CB-CB 4.41Å; V2043-K2057 WeakPolarHBondContact CB-O 3.07Å; V2043-K2057 PolarHBondContact N-O 3.5Å; V2043-K2057 PolarHBondContact O-N 2.87Å; V2043-L2081 HydrophobicContact CG1-CD2 4.41Å; V2043-L2109 HydrophobicContact CG1-CD1 4.15Å; V2043-L2109 HydrophobicContact CG2-CD1 3.85Å; V2043-L2109 HydrophobicContact CG2-CD2 3.96Å; V2043-L2109 HydrophobicContact CG2-CG 4.4Å |
| 2044 | M | 95.7 | Very high | 90 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.3 | 179.9 | -52.3 | -156 | -75.9 | 0 | 0 | 112.3 | M1939 L1948 Y2032 L2033 L2042 F2053 I2054 E2055 | M1939-M2044 HydrophobicContact CE-CE 4.04Å; L1948-M2044 HydrophobicContact CD2-CE 3.42Å; L1948-M2044 VanDerWaalsContact CD2-CE 3.42Å; Y2032-M2044 CarbonylContact C-O 3.41Å; Y2032-M2044 VanDerWaalsContact CA-O 3.31Å; Y2032-M2044 WeakPolarHBondContact CA-O 3.26Å; L2033-M2044 HydrophobicContact CB-CB 4.46Å; L2033-M2044 HydrophobicContact CD1-CE 4.21Å; L2033-M2044 HydrophobicContact CD2-CE 3.82Å; L2033-M2044 HydrophobicContact CG-CE 4.45Å; L2033-M2044 PolarHBondContact N-O 3.48Å; L2033-M2044 PolarHBondContact O-N 3.37Å; L2042-M2044 HydrophobicContact CD1-CG 3.97Å; L2042-M2044 HydrophobicContact CD2-CG 4.42Å; L2042-M2044 HydrophobicContact CD2-SD 4.35Å; L2042-M2044 HydrophobicContact CG-CG 4.02Å; M2044-F2053 HydrophobicContact CB-CB 4Å; M2044-F2053 HydrophobicContact CB-CD1 4.4Å; M2044-F2053 HydrophobicContact CE-CB 3.96Å; M2044-F2053 HydrophobicContact SD-CB 4.36Å; M2044-I2054 CarbonylContact C-O 3.59Å; M2044-I2054 WeakPolarHBondContact CA-O 3.33Å; M2044-I2054 WeakPolarHBondContact CB-O 3.5Å; M2044-E2055 HydrophobicContact CG-CB 4.4Å |
| 2045 | E | 94.6 | Very high | 89.8 | Confident | 68 Ų | 68 | 36.7 Ų | 36.7 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.6 | 175.6 | -175.3 | 164 | -145.8 | 0 | 0 | 111.4 | Y2032 F2047 F2053 I2054 I2056 | Y2032-E2045 HydrophobicContact CD1-CB 4.14Å; Y2032-E2045 HydrophobicContact CD1-CG 4.26Å; Y2032-E2045 HydrophobicContact CE1-CB 3.97Å; Y2032-E2045 HydrophobicContact CE1-CG 3.76Å; Y2032-E2045 PolarHBondContact OH-OE1 3.2Å; E2045-F2047 PolarHBondContact O-N 2.83Å; E2045-F2053 CarbonylContact O-C 3.58Å; E2045-F2053 WeakPolarHBondContact O-CA 3.06Å; E2045-I2054 PolarHBondContact N-O 3.34Å; E2045-I2054 PolarHBondContact O-N 2.9Å; E2045-I2056 HydrophobicContact CB-CD1 3.63Å; E2045-I2056 HydrophobicContact CB-CG1 3.83Å |
| 2046 | W | 93.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 107.4 | 171.2 | 176.4 | -97.4 | 0 | 0 | 0 | 111.2 | T1934 R1935 T1937 K2031 N2048 S2051 F2053 | T1934-W2046 HydrophobicContact CG2-CD2 3.39Å; T1934-W2046 VanDerWaalsContact CG2-CE2 3.45Å; T1934-W2046 HydrophobicContact CG2-CE3 3.51Å; T1934-W2046 HydrophobicContact CG2-CG 4.02Å; T1934-W2046 HydrophobicContact CG2-CH2 3.68Å; T1934-W2046 HydrophobicContact CG2-CZ2 3.6Å; T1934-W2046 HydrophobicContact CG2-CZ3 3.64Å; T1934-W2046 WeakPolarHBondContact O-CH2 3.31Å; R1935-W2046 HydrophobicContact CB-CH2 4.28Å; R1935-W2046 HydrophobicContact CB-CZ2 4.03Å; R1935-W2046 HydrophobicContact CG-CZ2 3.89Å; T1937-W2046 HydrophobicContact CG2-CZ3 4.32Å; K2031-W2046 HydrophobicContact CB-CB 3.77Å; K2031-W2046 HydrophobicContact CB-CG 4.48Å; K2031-W2046 PolarHBondContact O-N 3.42Å; W2046-N2048 VanDerWaalsContact CD1-OD1 3.3Å; W2046-N2048 PolarHBondContact NE1-OD1 2.8Å; W2046-N2048 PolarHBondContact O-N 3.02Å; W2046-S2051 VanDerWaalsContact CH2-CA 3.47Å; W2046-S2051 WeakPolarHBondContact CH2-O 3.35Å; W2046-S2051 VanDerWaalsContact CZ2-C 3.47Å; W2046-S2051 VanDerWaalsContact CZ3-C 3.45Å; W2046-S2051 WeakPolarHBondContact CZ3-O 3.43Å; W2046-F2053 HydrophobicContact CB-CD1 4.07Å; W2046-F2053 HydrophobicContact CB-CE1 3.76Å; W2046-F2053 HydrophobicContact CB-CZ 4.25Å; W2046-F2053 HydrophobicContact CE3-CD1 4.48Å; W2046-F2053 AromaticContact CE3-CD2 3.75Å; W2046-F2053 HydrophobicContact CE3-CD2 3.75Å; W2046-F2053 HydrophobicContact CE3-CE1 4.35Å; W2046-F2053 AromaticContact CE3-CE2 3.61Å; W2046-F2053 HydrophobicContact CE3-CE2 3.61Å; W2046-F2053 HydrophobicContact CE3-CG 4.2Å; W2046-F2053 AromaticContact CE3-CZ 3.92Å; W2046-F2053 HydrophobicContact CE3-CZ 3.92Å; W2046-F2053 HydrophobicContact CZ3-CD2 4.16Å; W2046-F2053 HydrophobicContact CZ3-CE2 4.05Å |
| 2047 | F | 85.9 | Confident | 89.2 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 27% | 0.268 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.2 | 178 | -160.8 | -120.7 | 0 | 0 | 0 | 111.2 | M243 E2045 P2049 V2050 S2051 S2052 I2054 | M243-F2047 HydrophobicContact CG-CD1 4.33Å; M243-F2047 HydrophobicContact SD-CD1 3.55Å; M243-F2047 VanDerWaalsContact SD-CD1 3.55Å; M243-F2047 HydrophobicContact SD-CE1 3.53Å; M243-F2047 VanDerWaalsContact SD-CE1 3.53Å; E2045-F2047 PolarHBondContact O-N 2.83Å; F2047-P2049 VanDerWaalsContact C-CD 3.49Å; F2047-P2049 HydrophobicContact CD1-CB 4.11Å; F2047-P2049 HydrophobicContact CD1-CG 4.05Å; F2047-P2049 HydrophobicContact CE1-CB 3.77Å; F2047-P2049 HydrophobicContact CE1-CG 3.54Å; F2047-P2049 HydrophobicContact CE2-CG 4.34Å; F2047-P2049 HydrophobicContact CZ-CB 4.42Å; F2047-P2049 HydrophobicContact CZ-CG 3.7Å; F2047-V2050 HydrophobicContact CB-CG2 4.18Å; F2047-V2050 HydrophobicContact CD1-CG2 4.19Å; F2047-V2050 WeakPolarHBondContact O-CG2 3.44Å; F2047-V2050 PolarHBondContact O-N 2.97Å; F2047-S2051 PolarHBondContact O-N 3.32Å; F2047-S2051 VanDerWaalsContact O-N 3.09Å; F2047-S2052 PolarHBondContact N-O 2.82Å; F2047-I2054 HydrophobicContact CB-CD1 3.41Å; F2047-I2054 VanDerWaalsContact CB-CD1 3.41Å; F2047-I2054 HydrophobicContact CB-CG1 3.91Å; F2047-I2054 HydrophobicContact CD1-CD1 3.85Å; F2047-I2054 HydrophobicContact CG-CD1 3.81Å |
| 2048 | N | 78 | Confident | 89.2 | Confident | 88 Ų | 88 | 44.8 Ų | 44.8 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -39.7 | -175.2 | -86.1 | -35.2 | 0 | 0 | 0 | 115.3 | R1935 W2046 V2050 S2051 | R1935-N2048 VanDerWaalsContact CZ-OD1 3.27Å; R1935-N2048 PolarHBondContact NH1-O 2.83Å; R1935-N2048 PolarHBondContact NH1-OD1 2.87Å; R1935-N2048 PolarHBondContact NH2-OD1 2.8Å; W2046-N2048 VanDerWaalsContact CD1-OD1 3.3Å; W2046-N2048 PolarHBondContact NE1-OD1 2.8Å; W2046-N2048 PolarHBondContact O-N 3.02Å; N2048-V2050 VanDerWaalsContact C-N 3.34Å; N2048-V2050 PolarHBondContact O-N 3.07Å; N2048-S2051 PolarHBondContact O-N 2.91Å; N2048-S2051 PolarHBondContact O-OG 3.24Å |
| 2049 | P | 71.6 | Confident | 89.3 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.9 | 178.6 | -32 | 40 | 0 | 0 | 0 | 116.7 | F194 F2047 | F194-P2049 HydrophobicContact CB-CB 3.85Å; F194-P2049 HydrophobicContact CB-CG 3.94Å; F194-P2049 HydrophobicContact CD1-CB 3.75Å; F194-P2049 HydrophobicContact CG-CB 3.78Å; F194-P2049 HydrophobicContact CG-CG 4.2Å; F2047-P2049 VanDerWaalsContact C-CD 3.49Å; F2047-P2049 HydrophobicContact CD1-CB 4.11Å; F2047-P2049 HydrophobicContact CD1-CG 4.05Å; F2047-P2049 HydrophobicContact CE1-CB 3.77Å; F2047-P2049 HydrophobicContact CE1-CG 3.54Å; F2047-P2049 HydrophobicContact CE2-CG 4.34Å; F2047-P2049 HydrophobicContact CZ-CB 4.42Å; F2047-P2049 HydrophobicContact CZ-CG 3.7Å |
| 2050 | V | 67.9 | Low | 89.4 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 33% | 0.327 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -7.3 | 173.8 | -74.2 | 0 | 0 | 0 | 0 | 113.6 | M243 F2047 N2048 S2052 I2054 | M243-V2050 HydrophobicContact CE-CG1 3.32Å; M243-V2050 HydrophobicContact CG-CG1 3.71Å; M243-V2050 HydrophobicContact CG-CG2 4.08Å; M243-V2050 HydrophobicContact SD-CB 4.42Å; M243-V2050 HydrophobicContact SD-CG1 3.42Å; M243-V2050 WeakPolarHBondContact SD-CG1 3.47Å; M243-V2050 HydrophobicContact SD-CG2 4.2Å; F2047-V2050 HydrophobicContact CB-CG2 4.18Å; F2047-V2050 HydrophobicContact CD1-CG2 4.19Å; F2047-V2050 WeakPolarHBondContact O-CG2 3.44Å; F2047-V2050 PolarHBondContact O-N 2.97Å; N2048-V2050 VanDerWaalsContact C-N 3.34Å; N2048-V2050 PolarHBondContact O-N 3.07Å; V2050-S2052 VanDerWaalsContact C-N 3.3Å; V2050-S2052 PolarHBondContact O-N 2.81Å; V2050-I2054 HydrophobicContact CG2-CD1 4.3Å |
| 2051 | S | 83.7 | Confident | 89.2 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 21% | 0.21 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 53.4 | -169.1 | -60.6 | 0 | 0 | 0 | 0 | 112 | R1935 T1937 W2046 F2047 N2048 | R1935-S2051 PolarHBondContact NH1-OG 3.07Å; T1937-S2051 WeakPolarHBondContact CB-O 3.19Å; T1937-S2051 PolarHBondContact OG1-O 2.64Å; W2046-S2051 VanDerWaalsContact CH2-CA 3.47Å; W2046-S2051 WeakPolarHBondContact CH2-O 3.35Å; W2046-S2051 VanDerWaalsContact CZ2-C 3.47Å; W2046-S2051 VanDerWaalsContact CZ3-C 3.45Å; W2046-S2051 WeakPolarHBondContact CZ3-O 3.43Å; F2047-S2051 PolarHBondContact O-N 3.32Å; F2047-S2051 VanDerWaalsContact O-N 3.09Å; N2048-S2051 PolarHBondContact O-N 2.91Å; N2048-S2051 PolarHBondContact O-OG 3.24Å |
| 2052 | S | 88.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 158.8 | -179.9 | -153.7 | 0 | 0 | 0 | 0 | 111.1 | F2047 V2050 | F2047-S2052 PolarHBondContact N-O 2.82Å; V2050-S2052 VanDerWaalsContact C-N 3.3Å; V2050-S2052 PolarHBondContact O-N 2.81Å |
| 2053 | F | 93 | Very high | 87.8 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 139.1 | 173.5 | -72.8 | -83 | 0 | 0 | 0 | 110.8 | M1939 V2022 L2033 M2044 E2045 W2046 | M1939-F2053 HydrophobicContact CG-CD2 3.55Å; M1939-F2053 HydrophobicContact CG-CE2 3.76Å; M1939-F2053 HydrophobicContact SD-CD2 3.87Å; V2022-F2053 HydrophobicContact CG1-CZ 4.02Å; V2022-F2053 HydrophobicContact CG2-CZ 4.28Å; L2033-F2053 HydrophobicContact CB-CD1 3.62Å; L2033-F2053 HydrophobicContact CB-CE1 3.63Å; L2033-F2053 HydrophobicContact CB-CG 4.09Å; L2033-F2053 HydrophobicContact CB-CZ 4.1Å; L2033-F2053 HydrophobicContact CD1-CD2 4.12Å; L2033-F2053 HydrophobicContact CD1-CE2 4.24Å; L2033-F2053 HydrophobicContact CD1-CG 4.33Å; M2044-F2053 HydrophobicContact CB-CB 4Å; M2044-F2053 HydrophobicContact CB-CD1 4.4Å; M2044-F2053 HydrophobicContact CE-CB 3.96Å; M2044-F2053 HydrophobicContact SD-CB 4.36Å; E2045-F2053 CarbonylContact O-C 3.58Å; E2045-F2053 WeakPolarHBondContact O-CA 3.06Å; W2046-F2053 HydrophobicContact CB-CD1 4.07Å; W2046-F2053 HydrophobicContact CB-CE1 3.76Å; W2046-F2053 HydrophobicContact CB-CZ 4.25Å; W2046-F2053 HydrophobicContact CE3-CD1 4.48Å; W2046-F2053 AromaticContact CE3-CD2 3.75Å; W2046-F2053 HydrophobicContact CE3-CD2 3.75Å; W2046-F2053 HydrophobicContact CE3-CE1 4.35Å; W2046-F2053 AromaticContact CE3-CE2 3.61Å; W2046-F2053 HydrophobicContact CE3-CE2 3.61Å; W2046-F2053 HydrophobicContact CE3-CG 4.2Å; W2046-F2053 AromaticContact CE3-CZ 3.92Å; W2046-F2053 HydrophobicContact CE3-CZ 3.92Å; W2046-F2053 HydrophobicContact CZ3-CD2 4.16Å; W2046-F2053 HydrophobicContact CZ3-CE2 4.05Å |
| 2054 | I | 89 | Confident | 87.5 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.195 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.6 | 179.4 | -54.2 | -175.2 | 0 | 0 | 0 | 109 | M243 M2044 E2045 F2047 V2050 I2056 | M243-I2054 HydrophobicContact CB-CD1 3.84Å; M243-I2054 HydrophobicContact CG-CD1 3.74Å; M2044-I2054 CarbonylContact C-O 3.59Å; M2044-I2054 WeakPolarHBondContact CA-O 3.33Å; M2044-I2054 WeakPolarHBondContact CB-O 3.5Å; E2045-I2054 PolarHBondContact N-O 3.34Å; E2045-I2054 PolarHBondContact O-N 2.9Å; F2047-I2054 HydrophobicContact CB-CD1 3.41Å; F2047-I2054 VanDerWaalsContact CB-CD1 3.41Å; F2047-I2054 HydrophobicContact CB-CG1 3.91Å; F2047-I2054 HydrophobicContact CD1-CD1 3.85Å; F2047-I2054 HydrophobicContact CG-CD1 3.81Å; V2050-I2054 HydrophobicContact CG2-CD1 4.3Å; I2054-I2056 PolarHBondContact O-N 2.84Å |
| 2055 | E | 93.3 | Very high | 87.1 | Confident | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 125.3 | 174 | -176.8 | 164.8 | 156.9 | 0 | 0 | 111.8 | L2042 M2044 R2058 | L2042-E2055 HydrophobicContact CD1-CB 4.19Å; L2042-E2055 HydrophobicContact CD1-CG 3.49Å; L2042-E2055 VanDerWaalsContact CD1-CG 3.49Å; L2042-E2055 WeakPolarHBondContact CD1-OE2 3.48Å; M2044-E2055 HydrophobicContact CG-CB 4.4Å; E2055-R2058 WeakPolarHBondContact OE1-CG 3.49Å; E2055-R2058 IonicContact OE1-CZ 2.66Å; E2055-R2058 IonicContact OE1-NE 2.86Å; E2055-R2058 PolarHBondContact OE1-NE 2.83Å; E2055-R2058 IonicContact OE1-NH2 2.8Å; E2055-R2058 IonicContact OE2-CZ 2.71Å; E2055-R2058 IonicContact OE2-NE 2.71Å; E2055-R2058 IonicContact OE2-NH2 3Å; E2055-R2058 PolarHBondContact OE2-NH2 2.87Å |
| 2056 | I | 90.8 | Very high | 86.5 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -44.4 | 176 | -26 | 168.3 | 0 | 0 | 0 | 110.3 | Y2032 V2043 E2045 I2054 L2081 | Y2032-I2056 HydrophobicContact CD1-CD1 4.01Å; Y2032-I2056 HydrophobicContact CE1-CD1 4.04Å; V2043-I2056 HydrophobicContact CG1-CD1 3.93Å; V2043-I2056 PolarHBondContact O-N 2.88Å; E2045-I2056 HydrophobicContact CB-CD1 3.63Å; E2045-I2056 HydrophobicContact CB-CG1 3.83Å; I2054-I2056 PolarHBondContact O-N 2.84Å; I2056-L2081 HydrophobicContact CD1-CD2 3.73Å |
| 2057 | K | 91.4 | Very high | 85.9 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 145.3 | -162.7 | -170.7 | 174.3 | -176.9 | -176.7 | 0 | 110.3 | V2043 I2059 L2081 L2109 S2111 | V2043-K2057 HydrophobicContact CB-CB 4.41Å; V2043-K2057 WeakPolarHBondContact CB-O 3.07Å; V2043-K2057 PolarHBondContact N-O 3.5Å; V2043-K2057 PolarHBondContact O-N 2.87Å; K2057-I2059 HydrophobicContact CD-CD1 3.93Å; K2057-I2059 HydrophobicContact CD-CG1 4Å; K2057-I2059 HydrophobicContact CG-CD1 4.44Å; K2057-I2059 HydrophobicContact CG-CG1 3.97Å; K2057-L2081 HydrophobicContact CD-CD1 4.49Å; K2057-L2109 PolarHBondContact NZ-O 2.88Å; K2057-S2111 PolarHBondContact NZ-O 2.8Å |
| 2058 | R | 93.2 | Very high | 86.1 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 25% | 0.253 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.8 | 158.9 | -62.9 | -174.5 | -176.1 | -127.2 | -3.4 | 108.9 | D2013 E2040 I2041 L2042 E2055 | D2013-R2058 PolarHBondContact O-NH1 3.12Å; E2040-R2058 WeakPolarHBondContact OE1-CD 3.34Å; E2040-R2058 IonicContact OE1-CZ 2.72Å; E2040-R2058 IonicContact OE1-NH1 2.76Å; E2040-R2058 PolarHBondContact OE1-NH1 3.4Å; E2040-R2058 WeakPolarHBondContact OE2-CD 3.39Å; I2041-R2058 WeakPolarHBondContact O-CA 3.41Å; L2042-R2058 HydrophobicContact CD1-CG 4.07Å; E2055-R2058 WeakPolarHBondContact OE1-CG 3.49Å; E2055-R2058 IonicContact OE1-CZ 2.66Å; E2055-R2058 IonicContact OE1-NE 2.86Å; E2055-R2058 PolarHBondContact OE1-NE 2.83Å; E2055-R2058 IonicContact OE1-NH2 2.8Å; E2055-R2058 IonicContact OE2-CZ 2.71Å; E2055-R2058 IonicContact OE2-NE 2.71Å; E2055-R2058 IonicContact OE2-NH2 3Å; E2055-R2058 PolarHBondContact OE2-NH2 2.87Å |
| 2059 | I | 91.6 | Very high | 86.4 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 121.2 | 178.5 | -56.4 | -168.3 | 0 | 0 | 0 | 108.3 | E2040 I2041 K2057 L2109 | E2040-I2059 CarbonylContact C-O 3.45Å; E2040-I2059 WeakPolarHBondContact CA-O 3.31Å; E2040-I2059 WeakPolarHBondContact CB-O 3.43Å; I2041-I2059 PolarHBondContact N-O 3.23Å; I2041-I2059 PolarHBondContact O-N 2.83Å; K2057-I2059 HydrophobicContact CD-CD1 3.93Å; K2057-I2059 HydrophobicContact CD-CG1 4Å; K2057-I2059 HydrophobicContact CG-CD1 4.44Å; K2057-I2059 HydrophobicContact CG-CG1 3.97Å; I2059-L2109 HydrophobicContact CD1-CB 4.1Å; I2059-L2109 HydrophobicContact CD1-CD2 3.67Å |
| 2060 | F | 92 | Very high | 87.3 | Confident | 121 Ų | 121 | 53.4 Ų | 53.4 | 53% | 0.531 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.9 | 174.7 | -176.3 | -110.6 | 0 | 0 | 0 | 110.5 | N2039 P2062 | N2039-F2060 HydrophobicContact CB-CD2 4.35Å; N2039-F2060 HydrophobicContact CB-CE2 3.8Å; N2039-F2060 WeakPolarHBondContact O-CD2 3.23Å; F2060-P2062 HydrophobicContact CE1-CB 3.71Å; F2060-P2062 HydrophobicContact CE1-CG 4.09Å; F2060-P2062 HydrophobicContact CZ-CB 3.99Å |
| 2061 | V | 89.6 | Confident | 88.6 | Confident | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | trans | -134.8 | 92.6 | -177.7 | -179.7 | 0 | 0 | 0 | 0 | 105.8 | N2039 I2041 M2064 I2107 | N2039-V2061 CarbonylContact C-O 3.52Å; N2039-V2061 VanDerWaalsContact CA-O 3.3Å; N2039-V2061 WeakPolarHBondContact CA-O 3.43Å; N2039-V2061 CarbonylContact O-C 3.56Å; N2039-V2061 PolarHBondContact O-N 2.81Å; I2041-V2061 HydrophobicContact CD1-CG2 4.18Å; I2041-V2061 HydrophobicContact CG1-CG2 4.1Å; V2061-M2064 HydrophobicContact CB-CE 3.87Å; V2061-M2064 HydrophobicContact CG1-CE 3.94Å; V2061-M2064 HydrophobicContact CG1-SD 4.26Å; V2061-M2064 HydrophobicContact CG2-CE 4.34Å; V2061-I2107 HydrophobicContact CG1-CD1 3.77Å; V2061-I2107 HydrophobicContact CG2-CD1 3.86Å; V2061-I2107 HydrophobicContact CG2-CG2 4.43Å | ||
| 2062 | P | 81.3 | Confident | 89.1 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -45 | -172 | 21.7 | -30.7 | 0 | 0 | 0 | 112.1 | F2060 M2064 | F2060-P2062 HydrophobicContact CE1-CB 3.71Å; F2060-P2062 HydrophobicContact CE1-CG 4.09Å; F2060-P2062 HydrophobicContact CZ-CB 3.99Å; P2062-M2064 PolarHBondContact O-N 3.48Å |
| 2063 | D | 83.1 | Confident | 89.4 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 57.4 | -174.4 | -49.3 | -52.9 | 0 | 0 | 0 | 110.8 | P2065 | D2063-P2065 WeakPolarHBondContact O-CD 3.49Š|
| 2064 | M | 89.3 | Confident | 89.5 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | trans | -66.1 | 126.2 | 175.9 | -170.9 | 67.7 | 75.3 | 0 | 0 | 110.1 | L2018 A2036 T2038 I2041 V2061 P2062 S2066 L2068 V2086 | L2018-M2064 HydrophobicContact CD1-CG 4.28Å; A2036-M2064 HydrophobicContact CB-CE 4.23Å; A2036-M2064 HydrophobicContact CB-SD 4.49Å; T2038-M2064 WeakPolarHBondContact O-CB 3.11Å; I2041-M2064 HydrophobicContact CD1-CE 4.48Å; I2041-M2064 HydrophobicContact CG1-CE 3.92Å; V2061-M2064 HydrophobicContact CB-CE 3.87Å; V2061-M2064 HydrophobicContact CG1-CE 3.94Å; V2061-M2064 HydrophobicContact CG1-SD 4.26Å; V2061-M2064 HydrophobicContact CG2-CE 4.34Å; P2062-M2064 PolarHBondContact O-N 3.48Å; M2064-S2066 PolarHBondContact O-N 2.75Å; M2064-L2068 HydrophobicContact SD-CD1 4.07Å; M2064-L2068 HydrophobicContact SD-CD2 4.2Å; M2064-V2086 HydrophobicContact SD-CG1 4.35Å | ||
| 2065 | P | 87 | Confident | 89.6 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | trans | -59.3 | 131.4 | 178.5 | -27.1 | 36.8 | 0 | 0 | 0 | 112.5 | D2063 P2067 L2068 V2086 | D2063-P2065 WeakPolarHBondContact O-CD 3.49Å; P2065-P2067 CarbonylContact O-C 3.58Å; P2065-L2068 HydrophobicContact CB-CD1 4.16Å; P2065-L2068 HydrophobicContact CG-CD1 4.33Å; P2065-L2068 VanDerWaalsContact O-CA 3.31Å; P2065-L2068 WeakPolarHBondContact O-CA 3.09Å; P2065-L2068 WeakPolarHBondContact O-CB 3.41Å; P2065-L2068 PolarHBondContact O-N 3.32Å; P2065-V2086 HydrophobicContact CG-CB 4.11Å; P2065-V2086 HydrophobicContact CG-CG2 3.9Å | ||
| 2066 | S | 81.8 | Confident | 89.4 | Confident | 117 Ų | 117 | 45.2 Ų | 45.2 | 82% | 0.818 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -130.3 | 116.3 | 177.4 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | M2064 | M2064-S2066 PolarHBondContact O-N 2.75Š|
| 2067 | P | 82.6 | Confident | 89 | Confident | 91 Ų | 91 | 48 Ų | 48 | 59% | 0.591 | 26% | 0.257 | S | S | * | . | S | Bend | cis | -66.9 | 148.9 | -5 | 29.4 | -35.3 | 0 | 0 | 0 | 113.1 | P2065 L2069 | P2065-P2067 CarbonylContact O-C 3.58Å; P2067-L2069 VanDerWaalsContact C-N 3.35Å; P2067-L2069 HydrophobicContact CB-CD2 4.21Å; P2067-L2069 HydrophobicContact CG-CD2 3.99Å; P2067-L2069 HydrophobicContact CG-CG 4.17Å; P2067-L2069 PolarHBondContact O-N 3.45Å |
| 2068 | L | 90.5 | Very high | 88.5 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | trans | -81 | 75.7 | -178.2 | -174.6 | 57.6 | 0 | 0 | 0 | 111.6 | L2018 R2019 A2036 M2064 P2065 N2070 F2071 V2086 | L2018-L2068 HydrophobicContact CB-CD2 4.23Å; L2018-L2068 HydrophobicContact CD1-CD2 4.4Å; R2019-L2068 HydrophobicContact CB-CD2 4.27Å; R2019-L2068 PolarHBondContact NH1-O 2.85Å; A2036-L2068 HydrophobicContact CB-CD2 3.4Å; A2036-L2068 VanDerWaalsContact CB-CD2 3.4Å; M2064-L2068 HydrophobicContact SD-CD1 4.07Å; M2064-L2068 HydrophobicContact SD-CD2 4.2Å; P2065-L2068 HydrophobicContact CB-CD1 4.16Å; P2065-L2068 HydrophobicContact CG-CD1 4.33Å; P2065-L2068 VanDerWaalsContact O-CA 3.31Å; P2065-L2068 WeakPolarHBondContact O-CA 3.09Å; P2065-L2068 WeakPolarHBondContact O-CB 3.41Å; P2065-L2068 PolarHBondContact O-N 3.32Å; L2068-N2070 WeakPolarHBondContact CD1-O 3.47Å; L2068-N2070 PolarHBondContact O-N 3.49Å; L2068-F2071 HydrophobicContact CD2-CD2 3.98Å; L2068-F2071 HydrophobicContact CD2-CG 4.47Å; L2068-V2086 HydrophobicContact CD1-CB 3.89Å; L2068-V2086 HydrophobicContact CD1-CG1 4.24Å | ||
| 2069 | L | 83.7 | Confident | 88.1 | Confident | 80 Ų | 80 | 52 Ų | 52 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | trans | -69.5 | -26.4 | -171.1 | -63.4 | -178.1 | 0 | 0 | 0 | 115 | R2019 P2067 | R2019-L2069 PolarHBondContact NH1-O 2.61Å; P2067-L2069 VanDerWaalsContact C-N 3.35Å; P2067-L2069 HydrophobicContact CB-CD2 4.21Å; P2067-L2069 HydrophobicContact CG-CD2 3.99Å; P2067-L2069 HydrophobicContact CG-CG 4.17Å; P2067-L2069 PolarHBondContact O-N 3.45Å | ||
| 2070 | N | 90.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | trans | -118.7 | 147.8 | 169.8 | -62.7 | 103.7 | 0 | 0 | 0 | 110.9 | L2068 D2072 C2085 V2232 | L2068-N2070 WeakPolarHBondContact CD1-O 3.47Å; L2068-N2070 PolarHBondContact O-N 3.49Å; N2070-D2072 PolarHBondContact ND2-OD2 3.05Å; N2070-C2085 CarbonylContact C-O 3.58Å; N2070-V2232 WeakPolarHBondContact ND2-CG1 3.44Å | ||
| 2071 | F | 94.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | trans | -154.7 | 61.4 | 170.9 | -166.1 | -111.1 | 0 | 0 | 0 | 110.9 | R2019 N2021 C2034 A2036 I2041 L2068 V2084 C2085 V2086 | R2019-F2071 HydrophobicContact CB-CB 4.19Å; R2019-F2071 HydrophobicContact CB-CD1 4.13Å; R2019-F2071 HydrophobicContact CB-CG 4.17Å; N2021-F2071 HydrophobicContact CB-CD1 3.89Å; N2021-F2071 HydrophobicContact CB-CE1 4.25Å; N2021-F2071 PolarHBondContact ND2-O 3.43Å; C2034-F2071 HydrophobicContact CB-CE1 4.13Å; C2034-F2071 HydrophobicContact CB-CZ 4.03Å; C2034-F2071 WeakPolarHBondContact O-CE1 3.44Å; A2036-F2071 HydrophobicContact CB-CD2 4.03Å; A2036-F2071 HydrophobicContact CB-CE2 3.56Å; A2036-F2071 HydrophobicContact CB-CZ 3.85Å; I2041-F2071 HydrophobicContact CD1-CE2 4.01Å; I2041-F2071 HydrophobicContact CG1-CE2 4.31Å; I2041-F2071 HydrophobicContact CG2-CZ 4.33Å; L2068-F2071 HydrophobicContact CD2-CD2 3.98Å; L2068-F2071 HydrophobicContact CD2-CG 4.47Å; F2071-V2084 HydrophobicContact CD2-CG1 3.76Å; F2071-V2084 HydrophobicContact CE2-CG1 3.54Å; F2071-V2084 HydrophobicContact CZ-CG1 4.15Å; F2071-C2085 WeakPolarHBondContact CA-O 3.22Å; F2071-C2085 PolarHBondContact N-O 2.79Å; F2071-V2086 HydrophobicContact CD2-CG1 4.23Å; F2071-V2086 HydrophobicContact CE2-CG1 4.48Å | ||
| 2072 | D | 93.9 | Very high | 88.1 | Confident | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.9 | -159.7 | -50.4 | -30.5 | 0 | 0 | 0 | 110.9 | N2070 V2084 C2085 T2235 | N2070-D2072 PolarHBondContact ND2-OD2 3.05Å; D2072-V2084 WeakPolarHBondContact O-CA 3.29Å; D2072-C2085 HydrophobicContact CB-CB 4.28Å; D2072-C2085 PolarHBondContact N-O 3.32Å; D2072-C2085 PolarHBondContact O-N 3.22Å; D2072-T2235 VanDerWaalsContact CB-OG1 3.29Å; D2072-T2235 WeakPolarHBondContact CB-OG1 3.33Å; D2072-T2235 WeakPolarHBondContact OD2-CB 3.38Å; D2072-T2235 PolarHBondContact OD2-N 3.13Å; D2072-T2235 PolarHBondContact OD2-OG1 3.37Å |
| 2073 | L | 95 | Very high | 88.8 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 104.2 | -166.3 | -75.9 | 168.1 | 0 | 0 | 0 | 112.7 | N2021 T2023 C2034 P2082 V2084 | N2021-L2073 VanDerWaalsContact C-CD1 3.48Å; N2021-L2073 HydrophobicContact CB-CD1 3.68Å; N2021-L2073 HydrophobicContact CB-CG 4.29Å; N2021-L2073 WeakPolarHBondContact O-CD1 3.22Å; T2023-L2073 HydrophobicContact CG2-CB 3.73Å; T2023-L2073 HydrophobicContact CG2-CD1 4.02Å; T2023-L2073 HydrophobicContact CG2-CG 4.37Å; C2034-L2073 HydrophobicContact CB-CD1 4.24Å; C2034-L2073 HydrophobicContact CB-CD2 3.81Å; C2034-L2073 VanDerWaalsContact SG-CD2 3.52Å; L2073-P2082 HydrophobicContact CD2-CB 4.04Å; L2073-P2082 HydrophobicContact CD2-CG 3.83Å; L2073-V2084 HydrophobicContact CD2-CG2 3.87Å |
| 2074 | L | 94.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.2 | -168.9 | -57.1 | 168.6 | 0 | 0 | 0 | 111.4 | P2082 F2083 C2085 L2106 Q2237 I2243 L2256 | L2074-P2082 CarbonylContact O-C 3.46Å; L2074-P2082 VanDerWaalsContact O-CA 3.23Å; L2074-P2082 WeakPolarHBondContact O-CA 3.35Å; L2074-P2082 WeakPolarHBondContact O-CB 3.38Å; L2074-F2083 HydrophobicContact CB-CB 4.24Å; L2074-F2083 PolarHBondContact N-O 2.83Å; L2074-F2083 PolarHBondContact O-N 3.35Å; L2074-C2085 HydrophobicContact CD1-CB 4.01Å; L2074-L2106 HydrophobicContact CD1-CD2 3.58Å; L2074-Q2237 HydrophobicContact CD2-CB 3.89Å; L2074-Q2237 HydrophobicContact CD2-CG 4.42Å; L2074-I2243 HydrophobicContact CD1-CD1 3.61Å; L2074-I2243 HydrophobicContact CD2-CD1 3.67Å; L2074-I2243 HydrophobicContact CD2-CG1 4.02Å; L2074-I2243 HydrophobicContact CG-CD1 4.26Å; L2074-L2256 HydrophobicContact CD1-CD2 4.28Å |
| 2075 | I | 92.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | trans | -96.5 | 128.2 | 180 | -51.7 | -67.4 | 0 | 0 | 0 | 111.3 | T2023 N2025 F2027 P2082 Q2237 | T2023-I2075 HydrophobicContact CG2-CD1 3.82Å; N2025-I2075 HydrophobicContact CB-CD1 3.88Å; N2025-I2075 HydrophobicContact CB-CG1 4.48Å; N2025-I2075 HydrophobicContact CB-CG2 4.12Å; F2027-I2075 HydrophobicContact CD2-CG2 3.87Å; F2027-I2075 HydrophobicContact CE2-CG2 3.96Å; I2075-P2082 HydrophobicContact CD1-CB 4.01Å; I2075-Q2237 PolarHBondContact O-NE2 3.18Å; I2075-Q2237 PolarHBondContact O-OE1 3.29Å | ||
| 2076 | V | 88.2 | Confident | 89.9 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | trans | -109.8 | 129.6 | 172.8 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | N2078 L2079 F2083 L2256 | V2076-N2078 PolarHBondContact O-N 3.2Å; V2076-L2079 HydrophobicContact CB-CB 4.43Å; V2076-L2079 HydrophobicContact CB-CD1 4.02Å; V2076-L2079 HydrophobicContact CB-CG 4.27Å; V2076-L2079 HydrophobicContact CG1-CD1 4.14Å; V2076-L2079 HydrophobicContact CG1-CG 4.21Å; V2076-L2079 PolarHBondContact O-N 2.94Å; V2076-F2083 HydrophobicContact CG2-CD2 3.77Å; V2076-F2083 HydrophobicContact CG2-CE2 3.88Å; V2076-L2256 HydrophobicContact CG2-CD1 4.03Å | ||
| 2077 | K | 82.1 | Confident | 90.3 | Very high | 131 Ų | 131 | 35.6 Ų | 35.6 | 57% | 0.57 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -27.9 | -167.2 | -176.9 | 168.3 | -178.8 | 177.1 | 0 | 116.1 | F2027 | F2027-K2077 HydrophobicContact CD1-CB 4.39Å; F2027-K2077 HydrophobicContact CD1-CD 4.08Å; F2027-K2077 HydrophobicContact CD1-CG 3.74Å; F2027-K2077 HydrophobicContact CD2-CB 4.13Å; F2027-K2077 HydrophobicContact CD2-CG 4.25Å; F2027-K2077 HydrophobicContact CE1-CB 4.12Å; F2027-K2077 HydrophobicContact CE1-CD 3.78Å; F2027-K2077 HydrophobicContact CE1-CG 3.75Å; F2027-K2077 HydrophobicContact CE2-CB 3.85Å; F2027-K2077 HydrophobicContact CE2-CG 4.26Å; F2027-K2077 HydrophobicContact CG-CB 4.39Å; F2027-K2077 HydrophobicContact CG-CG 3.99Å; F2027-K2077 HydrophobicContact CZ-CB 3.84Å; F2027-K2077 HydrophobicContact CZ-CD 4.26Å; F2027-K2077 HydrophobicContact CZ-CG 4.01Å |
| 2078 | N | 80.6 | Confident | 90.8 | Very high | 145 Ų | 145 | 31.2 Ų | 31.2 | 78% | 0.775 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 9.1 | -173.6 | -59.2 | -17 | 0 | 0 | 0 | 113.6 | V2076 | V2076-N2078 PolarHBondContact O-N 3.2Š|
| 2079 | L | 86.4 | Confident | 90.8 | Very high | 55 Ų | 55 | 30.9 Ų | 30.9 | 29% | 0.288 | 16% | 0.161 | S | C | . | . | trans | -116.3 | 142 | -178.6 | -63.2 | -179 | 0 | 0 | 0 | 111.2 | V2076 F2083 | V2076-L2079 HydrophobicContact CB-CB 4.43Å; V2076-L2079 HydrophobicContact CB-CD1 4.02Å; V2076-L2079 HydrophobicContact CB-CG 4.27Å; V2076-L2079 HydrophobicContact CG1-CD1 4.14Å; V2076-L2079 HydrophobicContact CG1-CG 4.21Å; V2076-L2079 PolarHBondContact O-N 2.94Å; L2079-F2083 HydrophobicContact CD1-CD2 4.28Å; L2079-F2083 HydrophobicContact CD1-CE2 3.51Å; L2079-F2083 HydrophobicContact CD1-CZ 4.28Å | ||
| 2080 | P | 86 | Confident | 90.9 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 51% | 0.506 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -69.5 | -44.2 | 179.3 | 25.6 | -32.9 | 0 | 0 | 0 | 112.7 | Y2032 N2110 | Y2032-P2080 VanDerWaalsContact CE2-O 3.31Å; Y2032-P2080 WeakPolarHBondContact CE2-O 3.3Å; Y2032-P2080 PolarHBondContact OH-O 2.99Å; P2080-N2110 WeakPolarHBondContact CD-OD1 3.48Å; P2080-N2110 WeakPolarHBondContact CG-OD1 3.39Å |
| 2081 | L | 92.9 | Very high | 90.5 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -103.7 | 151.2 | -176.3 | -58.7 | 177 | 0 | 0 | 0 | 111.6 | Y2032 V2043 I2056 K2057 L2109 N2110 | Y2032-L2081 HydrophobicContact CD1-CD2 3.99Å; Y2032-L2081 HydrophobicContact CE1-CD2 3.69Å; V2043-L2081 HydrophobicContact CG1-CD2 4.41Å; I2056-L2081 HydrophobicContact CD1-CD2 3.73Å; K2057-L2081 HydrophobicContact CD-CD1 4.49Å; L2081-L2109 HydrophobicContact CB-CB 3.88Å; L2081-L2109 HydrophobicContact CD1-CB 4.18Å; L2081-L2109 WeakPolarHBondContact CD1-O 3.28Å; L2081-N2110 WeakPolarHBondContact CB-OD1 3.23Å; L2081-N2110 PolarHBondContact N-OD1 3.14Å; L2081-N2110 PolarHBondContact O-ND2 3.28Å; L2081-N2110 PolarHBondContact O-OD1 2.93Å |
| 2082 | P | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 160.5 | 173.9 | 19.9 | -26.6 | 0 | 0 | 0 | 112.6 | T2023 Y2032 L2073 L2074 I2075 L2109 | T2023-P2082 HydrophobicContact CG2-CB 4.35Å; T2023-P2082 HydrophobicContact CG2-CG 4.1Å; Y2032-P2082 HydrophobicContact CD2-CG 4.28Å; Y2032-P2082 HydrophobicContact CG-CG 4.41Å; L2073-P2082 HydrophobicContact CD2-CB 4.04Å; L2073-P2082 HydrophobicContact CD2-CG 3.83Å; L2074-P2082 CarbonylContact O-C 3.46Å; L2074-P2082 VanDerWaalsContact O-CA 3.23Å; L2074-P2082 WeakPolarHBondContact O-CA 3.35Å; L2074-P2082 WeakPolarHBondContact O-CB 3.38Å; I2075-P2082 HydrophobicContact CD1-CB 4.01Å; P2082-L2109 HydrophobicContact CG-CD1 3.92Å; P2082-L2109 VanDerWaalsContact O-CB 3.26Å; P2082-L2109 WeakPolarHBondContact O-CB 3.28Å; P2082-L2109 VanDerWaalsContact O-CD1 3.31Å; P2082-L2109 WeakPolarHBondContact O-CD1 3.46Å; P2082-L2109 WeakPolarHBondContact O-CG 3.41Å |
| 2083 | F | 94.4 | Very high | 88 | Confident | 43 Ų | 43 | 41.4 Ų | 41.4 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 151.7 | 151.6 | -80.3 | -96.6 | 0 | 0 | 0 | 109.4 | L2074 V2076 L2079 L2106 I2107 D2108 | L2074-F2083 HydrophobicContact CB-CB 4.24Å; L2074-F2083 PolarHBondContact N-O 2.83Å; L2074-F2083 PolarHBondContact O-N 3.35Å; V2076-F2083 HydrophobicContact CG2-CD2 3.77Å; V2076-F2083 HydrophobicContact CG2-CE2 3.88Å; L2079-F2083 HydrophobicContact CD1-CD2 4.28Å; L2079-F2083 HydrophobicContact CD1-CE2 3.51Å; L2079-F2083 HydrophobicContact CD1-CZ 4.28Å; F2083-L2106 HydrophobicContact CD1-CB 3.97Å; F2083-I2107 WeakPolarHBondContact CA-O 3.3Å; F2083-D2108 HydrophobicContact CD1-CB 3.99Å; F2083-D2108 HydrophobicContact CE1-CB 3.5Å; F2083-D2108 HydrophobicContact CZ-CB 4.08Å |
| 2084 | V | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.9 | 169.4 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | I2041 F2071 D2072 L2073 V2086 L2106 I2107 L2109 | I2041-V2084 HydrophobicContact CD1-CB 4.17Å; I2041-V2084 HydrophobicContact CD1-CG1 4.14Å; I2041-V2084 HydrophobicContact CD1-CG2 4.12Å; F2071-V2084 HydrophobicContact CD2-CG1 3.76Å; F2071-V2084 HydrophobicContact CE2-CG1 3.54Å; F2071-V2084 HydrophobicContact CZ-CG1 4.15Å; D2072-V2084 WeakPolarHBondContact O-CA 3.29Å; L2073-V2084 HydrophobicContact CD2-CG2 3.87Å; V2084-V2086 HydrophobicContact CG1-CG1 3.94Å; V2084-L2106 WeakPolarHBondContact O-CA 3.35Å; V2084-I2107 HydrophobicContact CB-CB 4.4Å; V2084-I2107 PolarHBondContact N-O 2.72Å; V2084-I2107 PolarHBondContact O-N 3.46Å; V2084-L2109 HydrophobicContact CG2-CD1 3.81Å; V2084-L2109 HydrophobicContact CG2-CD2 3.82Å; V2084-L2109 HydrophobicContact CG2-CG 3.92Å |
| 2085 | C | 94.5 | Very high | 84 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.6 | 167.4 | -169.3 | 0 | 0 | 0 | 0 | 109 | N2070 F2071 D2072 L2074 L2106 | N2070-C2085 CarbonylContact C-O 3.58Å; F2071-C2085 WeakPolarHBondContact CA-O 3.22Å; F2071-C2085 PolarHBondContact N-O 2.79Å; D2072-C2085 HydrophobicContact CB-CB 4.28Å; D2072-C2085 PolarHBondContact N-O 3.32Å; D2072-C2085 PolarHBondContact O-N 3.22Å; L2074-C2085 HydrophobicContact CD1-CB 4.01Å; C2085-L2106 HydrophobicContact CB-CD2 3.81Å |
| 2086 | V | 93.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -7 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | I2041 M2064 P2065 L2068 F2071 V2084 H2105 I2107 | I2041-V2086 HydrophobicContact CD1-CG1 4.47Å; M2064-V2086 HydrophobicContact SD-CG1 4.35Å; P2065-V2086 HydrophobicContact CG-CB 4.11Å; P2065-V2086 HydrophobicContact CG-CG2 3.9Å; L2068-V2086 HydrophobicContact CD1-CB 3.89Å; L2068-V2086 HydrophobicContact CD1-CG1 4.24Å; F2071-V2086 HydrophobicContact CD2-CG1 4.23Å; F2071-V2086 HydrophobicContact CE2-CG1 4.48Å; V2084-V2086 HydrophobicContact CG1-CG1 3.94Å; V2086-H2105 HydrophobicContact CG2-CB 3.86Å; V2086-H2105 VanDerWaalsContact CG2-CG 3.43Å; V2086-H2105 PolarHBondContact N-O 2.87Å; V2086-H2105 VanDerWaalsContact N-O 3.07Å; V2086-I2107 HydrophobicContact CB-CD1 4.42Å; V2086-I2107 HydrophobicContact CG1-CD1 3.58Å; V2086-I2107 HydrophobicContact CG2-CD1 3.92Å; V2086-I2107 HydrophobicContact CG2-CG1 4.38Å |
| 2087 | G | 91.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | 155.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H2105 | G2087-H2105 WeakPolarHBondContact O-CB 3.46Å; G2087-H2105 PolarHBondContact O-N 2.85Å |
| 2088 | V | 92.2 | Very high | 78.8 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.7 | 173.8 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | F2102 L2104 L2230 V2232 T2235 I2245 | V2088-F2102 HydrophobicContact CG1-CB 4.31Å; V2088-F2102 HydrophobicContact CG1-CD1 4.39Å; V2088-L2104 HydrophobicContact CB-CD2 4.38Å; V2088-L2104 HydrophobicContact CG1-CD2 4.11Å; V2088-L2104 HydrophobicContact CG2-CD2 3.78Å; V2088-L2230 HydrophobicContact CG1-CD1 4.31Å; V2088-L2230 PolarHBondContact O-N 3.25Å; V2088-V2232 HydrophobicContact CB-CG2 3.72Å; V2088-V2232 HydrophobicContact CG1-CG2 4.12Å; V2088-V2232 HydrophobicContact CG2-CB 4.42Å; V2088-V2232 HydrophobicContact CG2-CG1 4.38Å; V2088-V2232 HydrophobicContact CG2-CG2 3.89Å; V2088-T2235 HydrophobicContact CG2-CG2 3.89Å; V2088-I2245 HydrophobicContact CG1-CD1 4Å; V2088-I2245 HydrophobicContact CG1-CG2 4.42Å; V2088-I2245 HydrophobicContact CG2-CD1 4.49Å; V2088-I2245 HydrophobicContact CG2-CG2 4.39Å |
| 2089 | Y | 91 | Very high | 77.8 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.6 | -172.4 | -63 | -102.2 | 0 | 0 | 0 | 111.9 | R2103 H2105 F2224 L2225 D2228 I2229 | Y2089-R2103 WeakPolarHBondContact CB-O 3.38Å; Y2089-R2103 PolarHBondContact N-O 3.25Å; Y2089-R2103 PolarHBondContact O-N 3.47Å; Y2089-H2105 HydrophobicContact CD2-CB 4.12Å; Y2089-H2105 HydrophobicContact CE2-CB 3.62Å; Y2089-F2224 HydrophobicContact CD1-CB 4.43Å; Y2089-F2224 HydrophobicContact CD1-CD1 4.23Å; Y2089-F2224 AromaticContact CD2-CD1 3.5Å; Y2089-F2224 HydrophobicContact CD2-CD1 3.5Å; Y2089-F2224 VanDerWaalsContact CD2-CD1 3.5Å; Y2089-F2224 AromaticContact CD2-CE1 3.97Å; Y2089-F2224 HydrophobicContact CD2-CE1 3.97Å; Y2089-F2224 HydrophobicContact CE1-CB 4Å; Y2089-F2224 HydrophobicContact CE1-CD1 4.38Å; Y2089-F2224 HydrophobicContact CE2-CB 4.37Å; Y2089-F2224 AromaticContact CE2-CD1 3.68Å; Y2089-F2224 HydrophobicContact CE2-CD1 3.68Å; Y2089-F2224 HydrophobicContact CE2-CE1 4.33Å; Y2089-F2224 HydrophobicContact CE2-CG 4.34Å; Y2089-F2224 AromaticContact CG-CD1 3.81Å; Y2089-F2224 HydrophobicContact CG-CD1 3.81Å; Y2089-F2224 HydrophobicContact CG-CE1 4.5Å; Y2089-L2225 WeakPolarHBondContact CE1-O 3.43Å; Y2089-D2228 CarbonylContact C-O 3.57Å; Y2089-D2228 VanDerWaalsContact CA-O 3.23Å; Y2089-D2228 WeakPolarHBondContact CA-O 3.28Å; Y2089-D2228 HydrophobicContact CD1-CB 3.81Å; Y2089-I2229 HydrophobicContact CD1-CB 4.01Å; Y2089-I2229 HydrophobicContact CD1-CG1 4.26Å; Y2089-I2229 HydrophobicContact CE1-CB 3.77Å; Y2089-I2229 HydrophobicContact CE1-CD1 4.35Å; Y2089-I2229 HydrophobicContact CE1-CG1 3.89Å; Y2089-I2229 HydrophobicContact CE2-CG1 4.44Å |
| 2090 | R | 85.1 | Confident | 77 | Confident | 137 Ų | 137 | 70.2 Ų | 70.2 | 52% | 0.517 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 145.6 | 171.8 | -167 | 178.5 | -74.1 | -144.9 | 8.6 | 109.9 | H2092 D2228 L2230 | R2090-H2092 WeakPolarHBondContact CD-NE2 3.13Å; R2090-D2228 PolarHBondContact N-O 2.91Å; R2090-L2230 HydrophobicContact CB-CD2 4.22Å |
| 2091 | H | 82.2 | Confident | 76.8 | Confident | 42 Ų | 42 | 71 Ų | 71 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | trans | -109.4 | 90.7 | -172.5 | 176.5 | -84.7 | 0 | 0 | 0 | 111.8 | S2093 R2101 R2103 | H2091-S2093 WeakPolarHBondContact CE1-CB 3.4Å; H2091-S2093 PolarHBondContact O-N 2.92Å; H2091-R2101 HydrophobicContact CB-CB 4.48Å; H2091-R2101 VanDerWaalsContact CB-O 3.29Å; H2091-R2101 WeakPolarHBondContact CB-O 3.44Å; H2091-R2101 WeakPolarHBondContact NE2-CD 2.95Å; H2091-R2101 PolarHBondContact NE2-NH1 3.36Å; H2091-R2103 HydrophobicContact CB-CB 4.43Å | ||
| 2092 | H | 70.9 | Confident | 76.6 | Confident | 106 Ų | 106 | 70.7 Ų | 70.7 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | trans | -73.8 | 28.5 | -171.8 | -67.5 | 115.6 | 0 | 0 | 0 | 117.1 | R2090 D2228 | R2090-H2092 WeakPolarHBondContact CD-NE2 3.13Å; H2092-D2228 IonicContact CE1-OD1 3.81Å; H2092-D2228 PolarHBondContact CE1-OD1 2.95Å; H2092-D2228 IonicContact CE1-OD2 2.96Å; H2092-D2228 PolarHBondContact CE1-OD2 2.62Å; H2092-D2228 VanDerWaalsContact ND1-CG 3.28Å; H2092-D2228 IonicContact ND1-OD1 2.63Å; H2092-D2228 PolarHBondContact ND1-OD1 3.18Å; H2092-D2228 IonicContact ND1-OD2 3.34Å; H2092-D2228 PolarHBondContact ND1-OD2 3.46Å | ||
| 2093 | S | 65.6 | Low | 76.3 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | trans | -86.6 | 120.7 | 179.7 | -167.4 | 0 | 0 | 0 | 0 | 112.7 | H2091 K2095 G2096 | H2091-S2093 WeakPolarHBondContact CE1-CB 3.4Å; H2091-S2093 PolarHBondContact O-N 2.92Å; S2093-K2095 PolarHBondContact O-N 3.24Å; S2093-G2096 PolarHBondContact O-N 2.89Å | ||
| 2094 | R | 52.6 | Low | 76.2 | Confident | 252 Ų | 252 | 71.5 Ų | 71.5 | 95% | 0.951 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 5.3 | 173.9 | -57.4 | -174.8 | -178.1 | -170.2 | -0.8 | 116.1 | ||
| 2095 | K | 51.8 | Low | 76 | Confident | 205 Ų | 205 | 72.7 Ų | 72.7 | 89% | 0.891 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -4 | 175 | -72.5 | -166.3 | 173.9 | -170.3 | 0 | 114.1 | S2093 | S2093-K2095 PolarHBondContact O-N 3.24Š|
| 2096 | G | 49.4 | Very low | 75.9 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 38% | 0.381 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -96.2 | 147 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | S2093 | S2093-G2096 PolarHBondContact O-N 2.89Š|
| 2097 | R | 53.4 | Low | 75.8 | Confident | 166 Ų | 166 | 75.7 Ų | 75.7 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 140.3 | 157.9 | -65.3 | -178.9 | 178.7 | -173.2 | -0.6 | 107.8 | Q2100 | R2097-Q2100 HydrophobicContact CB-CB 4.46Å; R2097-Q2100 HydrophobicContact CB-CG 4.04Å; R2097-Q2100 PolarHBondContact O-N 2.97Å |
| 2098 | E | 52.3 | Low | 75.9 | Confident | 174 Ų | 174 | 78 Ų | 78 | 81% | 0.813 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 146.9 | 175.1 | -67 | -167.7 | 105.4 | 0 | 0 | 111 | Q2100 | E2098-Q2100 PolarHBondContact O-N 2.72Å; E2098-Q2100 VanDerWaalsContact O-N 3.11Å |
| 2099 | G | 59.7 | Low | 75.9 | Confident | 51 Ų | 51 | 78 Ų | 78 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -12.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | I2260 | G2099-I2260 WeakPolarHBondContact O-CD1 3.41Š|
| 2100 | Q | 68.9 | Low | 75.9 | Confident | 109 Ų | 109 | 79.4 Ų | 79.4 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -88.2 | -10.1 | -177.9 | -68 | -162.9 | -24.2 | 0 | 0 | 115.4 | R2097 E2098 I2260 | R2097-Q2100 HydrophobicContact CB-CB 4.46Å; R2097-Q2100 HydrophobicContact CB-CG 4.04Å; R2097-Q2100 PolarHBondContact O-N 2.97Å; E2098-Q2100 PolarHBondContact O-N 2.72Å; E2098-Q2100 VanDerWaalsContact O-N 3.11Å; Q2100-I2260 PolarHBondContact O-N 2.9Å |
| 2101 | R | 81.3 | Confident | 75.8 | Confident | 94 Ų | 94 | 75.3 Ų | 75.3 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -145.1 | 142.9 | 178.2 | -169.6 | 167.2 | -175.6 | -154.5 | 7.9 | 111.4 | H2091 N2257 G2258 Q2259 | H2091-R2101 HydrophobicContact CB-CB 4.48Å; H2091-R2101 VanDerWaalsContact CB-O 3.29Å; H2091-R2101 WeakPolarHBondContact CB-O 3.44Å; H2091-R2101 WeakPolarHBondContact NE2-CD 2.95Å; H2091-R2101 PolarHBondContact NE2-NH1 3.36Å; R2101-N2257 PolarHBondContact NE-O 3.37Å; R2101-N2257 VanDerWaalsContact NE-O 3.09Å; R2101-N2257 PolarHBondContact NH2-O 2.98Å; R2101-N2257 VanDerWaalsContact NH2-O 3.07Å; R2101-G2258 WeakPolarHBondContact CA-O 3.19Å; R2101-Q2259 HydrophobicContact CG-CG 4.21Å |
| 2102 | F | 89.4 | Confident | 74.5 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 7% | 0.07 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 165.4 | 175 | -58.6 | -85.1 | 0 | 0 | 0 | 109.9 | V2088 L2230 I2245 F2247 K2252 V2254 G2258 I2260 | V2088-F2102 HydrophobicContact CG1-CB 4.31Å; V2088-F2102 HydrophobicContact CG1-CD1 4.39Å; F2102-L2230 HydrophobicContact CD1-CD1 3.66Å; F2102-L2230 HydrophobicContact CE1-CD1 3.89Å; F2102-I2245 HydrophobicContact CB-CD1 4.41Å; F2102-I2245 HydrophobicContact CD2-CD1 4.45Å; F2102-I2245 HydrophobicContact CG-CD1 4.31Å; F2102-F2247 HydrophobicContact CD1-CZ 4.11Å; F2102-F2247 HydrophobicContact CE1-CE1 4.37Å; F2102-F2247 HydrophobicContact CE1-CE2 4.22Å; F2102-F2247 AromaticContact CE1-CZ 3.54Å; F2102-F2247 HydrophobicContact CE1-CZ 3.54Å; F2102-F2247 HydrophobicContact CZ-CE2 4.21Å; F2102-F2247 AromaticContact CZ-CZ 3.99Å; F2102-F2247 HydrophobicContact CZ-CZ 3.99Å; F2102-K2252 HydrophobicContact CE2-CD 4.27Å; F2102-K2252 HydrophobicContact CZ-CD 3.84Å; F2102-V2254 HydrophobicContact CD2-CG1 3.79Å; F2102-V2254 HydrophobicContact CE2-CG1 4.15Å; F2102-G2258 PolarHBondContact N-O 2.87Å; F2102-G2258 WeakPolarHBondContact O-CA 3.26Å; F2102-I2260 HydrophobicContact CE2-CD1 4.2Å; F2102-I2260 HydrophobicContact CE2-CG1 4.07Å |
| 2103 | R | 88.8 | Confident | 73.5 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 108.1 | 175.1 | -173.3 | -178.8 | 161.9 | -159.4 | -15.4 | 109.3 | Y2089 H2091 N2221 T2222 L2223 F2224 | Y2089-R2103 WeakPolarHBondContact CB-O 3.38Å; Y2089-R2103 PolarHBondContact N-O 3.25Å; Y2089-R2103 PolarHBondContact O-N 3.47Å; H2091-R2103 HydrophobicContact CB-CB 4.43Å; R2103-N2221 PolarHBondContact NH1-O 2.99Å; R2103-T2222 PolarHBondContact NH2-O 2.86Å; R2103-L2223 VanDerWaalsContact CZ-O 3.26Å; R2103-L2223 PolarHBondContact NH1-O 2.79Å; R2103-L2223 PolarHBondContact NH2-O 3.23Å; R2103-F2224 HydrophobicContact CG-CE1 3.91Å; R2103-F2224 VanDerWaalsContact NE-CE1 3.33Å; R2103-F2224 VanDerWaalsContact NH2-CD2 3.31Å; R2103-F2224 VanDerWaalsContact NH2-CE2 3.29Å |
| 2104 | L | 90.8 | Very high | 72.1 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 9% | 0.094 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.1 | 179.7 | -58.7 | 178.7 | 0 | 0 | 0 | 110.1 | V2088 L2106 I2243 I2245 | V2088-L2104 HydrophobicContact CB-CD2 4.38Å; V2088-L2104 HydrophobicContact CG1-CD2 4.11Å; V2088-L2104 HydrophobicContact CG2-CD2 3.78Å; L2104-L2106 VanDerWaalsContact C-N 3.31Å; L2104-L2106 HydrophobicContact CB-CD1 4.2Å; L2104-L2106 HydrophobicContact CB-CD2 3.84Å; L2104-L2106 HydrophobicContact CB-CG 3.66Å; L2104-L2106 HydrophobicContact CD1-CD1 4.29Å; L2104-L2106 HydrophobicContact CD1-CD2 4.34Å; L2104-L2106 HydrophobicContact CD1-CG 4.48Å; L2104-L2106 PolarHBondContact O-N 3.08Å; L2104-L2106 VanDerWaalsContact O-N 3.12Å; L2104-I2243 HydrophobicContact CD1-CD1 4.06Å; L2104-I2245 HydrophobicContact CD2-CD1 3.99Å |
| 2105 | H | 91.1 | Very high | 70.9 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 12% | 0.116 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 81.1 | 170.2 | -166.2 | 169.1 | 0 | 0 | 0 | 108.6 | V2086 G2087 Y2089 F2224 | V2086-H2105 HydrophobicContact CG2-CB 3.86Å; V2086-H2105 VanDerWaalsContact CG2-CG 3.43Å; V2086-H2105 PolarHBondContact N-O 2.87Å; V2086-H2105 VanDerWaalsContact N-O 3.07Å; G2087-H2105 WeakPolarHBondContact O-CB 3.46Å; G2087-H2105 PolarHBondContact O-N 2.85Å; Y2089-H2105 HydrophobicContact CD2-CB 4.12Å; Y2089-H2105 HydrophobicContact CE2-CB 3.62Å; H2105-F2224 HydrophobicContact CB-CD1 3.94Å; H2105-F2224 HydrophobicContact CB-CE1 3.59Å; H2105-F2224 HydrophobicContact CB-CE2 4.27Å; H2105-F2224 HydrophobicContact CB-CG 4.39Å; H2105-F2224 HydrophobicContact CB-CZ 3.79Å; H2105-F2224 AromaticContact CD2-CD2 3.92Å; H2105-F2224 AromaticContact CD2-CE2 3.57Å; H2105-F2224 AromaticContact CD2-CZ 3.88Å; H2105-F2224 AromaticContact CE1-CD2 3.75Å; H2105-F2224 AromaticContact CG-CD2 3.83Å; H2105-F2224 AromaticContact CG-CE1 3.92Å; H2105-F2224 AromaticContact CG-CE2 3.73Å; H2105-F2224 AromaticContact CG-CG 3.99Å; H2105-F2224 AromaticContact CG-CZ 3.78Å; H2105-F2224 AromaticContact ND1-CD2 3.72Å; H2105-F2224 AromaticContact ND1-CG 3.73Å; H2105-F2224 AromaticContact NE2-CD2 3.87Å; H2105-F2224 AromaticContact NE2-CE2 3.87Å |
| 2106 | L | 91.9 | Very high | 69.7 | Low | 46 Ų | 46 | 68.2 Ų | 68.2 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119 | -179.5 | -59.1 | -174.3 | 0 | 0 | 0 | 111.1 | L2074 F2083 V2084 C2085 L2104 L2256 | L2074-L2106 HydrophobicContact CD1-CD2 3.58Å; F2083-L2106 HydrophobicContact CD1-CB 3.97Å; V2084-L2106 WeakPolarHBondContact O-CA 3.35Å; C2085-L2106 HydrophobicContact CB-CD2 3.81Å; L2104-L2106 VanDerWaalsContact C-N 3.31Å; L2104-L2106 HydrophobicContact CB-CD1 4.2Å; L2104-L2106 HydrophobicContact CB-CD2 3.84Å; L2104-L2106 HydrophobicContact CB-CG 3.66Å; L2104-L2106 HydrophobicContact CD1-CD1 4.29Å; L2104-L2106 HydrophobicContact CD1-CD2 4.34Å; L2104-L2106 HydrophobicContact CD1-CG 4.48Å; L2104-L2106 PolarHBondContact O-N 3.08Å; L2104-L2106 VanDerWaalsContact O-N 3.12Å; L2106-L2256 HydrophobicContact CD1-CD2 4.3Å |
| 2107 | I | 92.7 | Very high | 68.6 | Low | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.4 | 174.4 | -58.1 | 171.9 | 0 | 0 | 0 | 108 | I2041 V2061 F2083 V2084 V2086 L2109 | I2041-I2107 HydrophobicContact CD1-CD1 3.67Å; I2041-I2107 HydrophobicContact CD1-CG2 4.5Å; V2061-I2107 HydrophobicContact CG1-CD1 3.77Å; V2061-I2107 HydrophobicContact CG2-CD1 3.86Å; V2061-I2107 HydrophobicContact CG2-CG2 4.43Å; F2083-I2107 WeakPolarHBondContact CA-O 3.3Å; V2084-I2107 HydrophobicContact CB-CB 4.4Å; V2084-I2107 PolarHBondContact N-O 2.72Å; V2084-I2107 PolarHBondContact O-N 3.46Å; V2086-I2107 HydrophobicContact CB-CD1 4.42Å; V2086-I2107 HydrophobicContact CG1-CD1 3.58Å; V2086-I2107 HydrophobicContact CG2-CD1 3.92Å; V2086-I2107 HydrophobicContact CG2-CG1 4.38Å; I2107-L2109 HydrophobicContact CG2-CD2 4.38Å; I2107-L2109 PolarHBondContact O-N 2.81Å |
| 2108 | D | 91.9 | Very high | 67.2 | Low | 48 Ų | 48 | 72.9 Ų | 72.9 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 105.6 | 176.5 | -179.6 | 23.4 | 0 | 0 | 0 | 111.2 | F2083 N2110 S2111 | F2083-D2108 HydrophobicContact CD1-CB 3.99Å; F2083-D2108 HydrophobicContact CE1-CB 3.5Å; F2083-D2108 HydrophobicContact CZ-CB 4.08Å; D2108-N2110 PolarHBondContact O-N 3.23Å; D2108-N2110 WeakPolarHBondContact OD1-CA 3.46Å; D2108-N2110 WeakPolarHBondContact OD1-CB 3.46Å; D2108-N2110 PolarHBondContact OD1-N 3.42Å; D2108-N2110 PolarHBondContact OD1-ND2 2.85Å; D2108-S2111 PolarHBondContact O-OG 3.43Å; D2108-S2111 WeakPolarHBondContact OD2-CB 3.24Å; D2108-S2111 PolarHBondContact OD2-N 3.48Å |
| 2109 | L | 93.1 | Very high | 65.9 | Low | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -69.6 | -13.6 | 175.4 | -54 | -178.4 | 0 | 0 | 0 | 113.2 | I2041 V2043 K2057 I2059 L2081 P2082 V2084 I2107 | I2041-L2109 HydrophobicContact CG2-CD2 4.38Å; V2043-L2109 HydrophobicContact CG1-CD1 4.15Å; V2043-L2109 HydrophobicContact CG2-CD1 3.85Å; V2043-L2109 HydrophobicContact CG2-CD2 3.96Å; V2043-L2109 HydrophobicContact CG2-CG 4.4Å; K2057-L2109 PolarHBondContact NZ-O 2.88Å; I2059-L2109 HydrophobicContact CD1-CB 4.1Å; I2059-L2109 HydrophobicContact CD1-CD2 3.67Å; L2081-L2109 HydrophobicContact CB-CB 3.88Å; L2081-L2109 HydrophobicContact CD1-CB 4.18Å; L2081-L2109 WeakPolarHBondContact CD1-O 3.28Å; P2082-L2109 HydrophobicContact CG-CD1 3.92Å; P2082-L2109 VanDerWaalsContact O-CB 3.26Å; P2082-L2109 WeakPolarHBondContact O-CB 3.28Å; P2082-L2109 VanDerWaalsContact O-CD1 3.31Å; P2082-L2109 WeakPolarHBondContact O-CD1 3.46Å; P2082-L2109 WeakPolarHBondContact O-CG 3.41Å; V2084-L2109 HydrophobicContact CG2-CD1 3.81Å; V2084-L2109 HydrophobicContact CG2-CD2 3.82Å; V2084-L2109 HydrophobicContact CG2-CG 3.92Å; I2107-L2109 HydrophobicContact CG2-CD2 4.38Å; I2107-L2109 PolarHBondContact O-N 2.81Å |
| 2110 | N | 91.1 | Very high | 64.3 | Low | 38 Ų | 38 | 73.7 Ų | 73.7 | 20% | 0.203 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -84.4 | -30.9 | -178.1 | -53.7 | -86.8 | 0 | 0 | 0 | 112.3 | P2080 L2081 D2108 | P2080-N2110 WeakPolarHBondContact CD-OD1 3.48Å; P2080-N2110 WeakPolarHBondContact CG-OD1 3.39Å; L2081-N2110 WeakPolarHBondContact CB-OD1 3.23Å; L2081-N2110 PolarHBondContact N-OD1 3.14Å; L2081-N2110 PolarHBondContact O-ND2 3.28Å; L2081-N2110 PolarHBondContact O-OD1 2.93Å; D2108-N2110 PolarHBondContact O-N 3.23Å; D2108-N2110 WeakPolarHBondContact OD1-CA 3.46Å; D2108-N2110 WeakPolarHBondContact OD1-CB 3.46Å; D2108-N2110 PolarHBondContact OD1-N 3.42Å; D2108-N2110 PolarHBondContact OD1-ND2 2.85Å |
| 2111 | S | 83.4 | Confident | 62.1 | Low | 50 Ų | 50 | 74.2 Ų | 74.2 | 35% | 0.35 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -45.6 | 139.4 | 172.8 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | K2057 D2108 G2113 | K2057-S2111 PolarHBondContact NZ-O 2.8Å; D2108-S2111 PolarHBondContact O-OG 3.43Å; D2108-S2111 WeakPolarHBondContact OD2-CB 3.24Å; D2108-S2111 PolarHBondContact OD2-N 3.48Å; S2111-G2113 PolarHBondContact O-N 3.17Å |
| 2112 | S | 54.3 | Low | 59.5 | Low | 127 Ų | 127 | 76.2 Ų | 76.2 | 89% | 0.888 | 44% | 0.442 | S | S | * | . | trans | -77.1 | 35.7 | -169.6 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2113 | G | 49.3 | Very low | 56.6 | Low | 30 Ų | 30 | 79.4 Ų | 79.4 | 31% | 0.309 | 46% | 0.463 | S | S | . | . | trans | 74 | 158.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S2111 | S2111-G2113 PolarHBondContact O-N 3.17Š| ||
| 2114 | P | 37.7 | Very low | 53.6 | Low | 85 Ų | 85 | 82.3 Ų | 82.3 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 136 | 157 | 31.3 | -32.1 | 0 | 0 | 0 | 108.1 | ||
| 2115 | N | 27 | Very low | 50.7 | Low | 152 Ų | 152 | 86.2 Ų | 86.2 | 81% | 0.813 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 141.1 | 148.4 | -78.9 | -33.4 | 0 | 0 | 0 | 106.8 | ||
| 2116 | P | 26 | Very low | 47.6 | Very low | 107 Ų | 107 | 92.4 Ų | 92.4 | 70% | 0.695 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 134.5 | 173.5 | 24.5 | -33.9 | 0 | 0 | 0 | 108.2 | Q2118 | P2116-Q2118 PolarHBondContact O-N 3.15Š|
| 2117 | P | 27 | Very low | 44.5 | Very low | 114 Ų | 114 | 96.6 Ų | 96.6 | 74% | 0.74 | 58% | 0.579 | S | S | * | * | trans | -57.9 | 115.4 | -175.4 | 23.5 | -32.9 | 0 | 0 | 0 | 108.2 | I2119 | P2117-I2119 PolarHBondContact O-N 3.46Š| ||
| 2118 | Q | 24.2 | Very low | 41.5 | Very low | 187 Ų | 187 | 100.2 Ų | 100.2 | 87% | 0.874 | 60% | 0.603 | S | S | * | * | trans | -61.8 | 104.8 | 170.6 | -78.7 | -173.3 | -27.4 | 0 | 0 | 106.6 | P2116 P2120 | P2116-Q2118 PolarHBondContact O-N 3.15Å; Q2118-P2120 WeakPolarHBondContact O-CD 3.45Å | ||
| 2119 | I | 24.6 | Very low | 38.6 | Very low | 152 Ų | 152 | 103 Ų | 103 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | trans | -54.2 | 113.8 | 175.6 | -61.1 | 170 | 0 | 0 | 0 | 106.1 | P2117 P2121 | P2117-I2119 PolarHBondContact O-N 3.46Å; I2119-P2121 VanDerWaalsContact O-CD 3.23Å; I2119-P2121 WeakPolarHBondContact O-CD 3.43Å | ||
| 2120 | P | 25.2 | Very low | 35.5 | Very low | 90 Ų | 90 | 109.4 Ų | 109.4 | 58% | 0.584 | 66% | 0.657 | S | S | * | * | trans | -77.3 | 117.2 | 175.8 | 31.2 | -30 | 0 | 0 | 0 | 107.1 | Q2118 I2122 | Q2118-P2120 WeakPolarHBondContact O-CD 3.45Å; P2120-I2122 VanDerWaalsContact C-N 3.28Å; P2120-I2122 HydrophobicContact CB-CD1 4.25Å; P2120-I2122 HydrophobicContact CB-CG1 4.09Å; P2120-I2122 HydrophobicContact CG-CD1 4.37Å; P2120-I2122 HydrophobicContact CG-CG1 4.48Å; P2120-I2122 PolarHBondContact O-N 2.92Å | ||
| 2121 | P | 24.3 | Very low | 32.3 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | trans | -72.1 | 88.2 | 175.5 | 30.3 | -33.7 | 0 | 0 | 0 | 108.7 | I2119 V2123 | I2119-P2121 VanDerWaalsContact O-CD 3.23Å; I2119-P2121 WeakPolarHBondContact O-CD 3.43Å; P2121-V2123 PolarHBondContact O-N 2.96Å | ||
| 2122 | I | 26.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 115.6 Ų | 115.6 | 70% | 0.697 | 69% | 0.689 | S | S | * | * | trans | -100.4 | 78.8 | 175.2 | -55.3 | -177.5 | 0 | 0 | 0 | 108.4 | P2120 | P2120-I2122 VanDerWaalsContact C-N 3.28Å; P2120-I2122 HydrophobicContact CB-CD1 4.25Å; P2120-I2122 HydrophobicContact CB-CG1 4.09Å; P2120-I2122 HydrophobicContact CG-CD1 4.37Å; P2120-I2122 HydrophobicContact CG-CG1 4.48Å; P2120-I2122 PolarHBondContact O-N 2.92Å | ||
| 2123 | V | 28.6 | Very low | 28.3 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 51% | 0.509 | 67% | 0.674 | S | S | . | * | trans | -77.2 | 116.2 | 156.6 | -170.7 | 0 | 0 | 0 | 0 | 106.1 | H717 K718 P2121 | H717-V2123 WeakPolarHBondContact O-CG1 3.43Å; H717-V2123 WeakPolarHBondContact O-CG2 3.36Å; K718-V2123 WeakPolarHBondContact O-CG2 3.5Å; P2121-V2123 PolarHBondContact O-N 2.96Å | ||
| 2124 | S | 26.2 | Very low | 27.2 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | trans | -106.8 | 110.5 | -168.5 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2125 | S | 28.5 | Very low | 26.6 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | -158.5 | 93.2 | 153.5 | 41.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2126 | I | 26.5 | Very low | 26.4 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | 53.3 | 98.8 | 124.3 | -55.9 | 155 | 0 | 0 | 0 | 118 | |||||
| 2127 | T | 27.7 | Very low | 26.4 | Very low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 70% | 0.704 | S | S | * | * | -166.3 | 139.3 | 102.3 | 13 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 2128 | P | 29.5 | Very low | 26.3 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | trans | -108.5 | 179.7 | 175.5 | 44.5 | -36.6 | 0 | 0 | 0 | 111.6 | ||||
| 2129 | P | 29.7 | Very low | 26.3 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | -151.3 | 177.8 | 86.4 | 36 | -14.8 | 0 | 0 | 0 | 117.1 | |||||
| 2130 | I | 29.1 | Very low | 26.5 | Very low | 134 Ų | 134 | 114.3 Ų | 114.3 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | trans | 81.3 | 100.4 | 162.8 | -36.5 | -171.8 | 0 | 0 | 0 | 119.2 | L2208 | I2130-L2208 HydrophobicContact CB-CD1 4.16Å; I2130-L2208 HydrophobicContact CG1-CD1 3.9Å; I2130-L2208 HydrophobicContact CG2-CD1 4.41Å | ||
| 2131 | S | 23.2 | Very low | 26.5 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 41% | 0.406 | 71% | 0.713 | S | S | . | * | trans | -99.1 | 149.2 | 154.2 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | L2208 D2211 | S2131-L2208 WeakPolarHBondContact O-CD2 3.41Å; S2131-D2211 WeakPolarHBondContact CB-OD2 3.46Å; S2131-D2211 PolarHBondContact OG-OD2 2.72Å | ||
| 2132 | I | 28.9 | Very low | 26.7 | Very low | 160 Ų | 160 | 114.5 Ų | 114.5 | 82% | 0.821 | 71% | 0.708 | S | S | * | * | trans | -152.7 | 113.6 | 134.7 | 9.6 | 172.6 | 0 | 0 | 0 | 114.7 | ||||
| 2133 | S | 25.3 | Very low | 26.6 | Very low | 83 Ų | 83 | 117 Ų | 117 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | trans | 33.7 | 113.9 | 138.5 | 67.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 2134 | S | 25.1 | Very low | 26.6 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | 65.1 | 109.7 | 120.9 | 71.7 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 2135 | V | 24.9 | Very low | 26.5 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | 58.3 | 125.2 | 115.9 | -177.3 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 2136 | T | 24.8 | Very low | 26.5 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 68.5 | 143 | 162.6 | 48.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2137 | A | 25.7 | Very low | 26.4 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | cis | -163.5 | 156.1 | -3.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2138 | V | 24.4 | Very low | 26.6 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | trans | 70.1 | 111.6 | 153.7 | 172.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2139 | S | 23.2 | Very low | 26.4 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | 48.9 | 123.2 | 143.8 | -54.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 2140 | I | 29.5 | Very low | 26.3 | Very low | 160 Ų | 160 | 116.5 Ų | 116.5 | 82% | 0.821 | 72% | 0.719 | S | S | * | * | -173.2 | 134.2 | 112.6 | -96.3 | 159.8 | 0 | 0 | 0 | 111.2 | |||||
| 2141 | T | 25.9 | Very low | 26.1 | Very low | 131 Ų | 131 | 112.3 Ų | 112.3 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 25.5 | 155.3 | 147.5 | -41.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2142 | A | 28.4 | Very low | 26.2 | Very low | 83 Ų | 83 | 114 Ų | 114 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | trans | 82.8 | 112.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2143 | M | 23.2 | Very low | 26.1 | Very low | 188 Ų | 188 | 112.1 Ų | 112.1 | 93% | 0.926 | 70% | 0.704 | S | S | * | * | 80.5 | 137.8 | 62.8 | -75.3 | -77 | -171.3 | 0 | 0 | 113.8 | |||||
| 2144 | A | 28.8 | Very low | 26.2 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 79% | 0.793 | 71% | 0.709 | S | S | * | * | trans | 69.1 | 145.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2145 | S | 23.6 | Very low | 26.3 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | cis | 179.7 | 167.6 | -37.2 | -110.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2146 | T | 29.6 | Very low | 26.4 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | trans | 61.1 | 107.9 | 151 | 45 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2147 | T | 24.9 | Very low | 26.4 | Very low | 116 Ų | 116 | 112.1 Ų | 112.1 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | 69.1 | 129.8 | 123.5 | -24.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 2148 | I | 30.2 | Very low | 26.3 | Very low | 152 Ų | 152 | 114.7 Ų | 114.7 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | -159.1 | 136.2 | 71.7 | -87.5 | 164.5 | 0 | 0 | 0 | 112.9 | |||||
| 2149 | T | 25.4 | Very low | 26.3 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 57% | 0.571 | 71% | 0.705 | S | S | * | * | trans | -37.1 | 157.1 | 157.3 | 38.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2150 | T | 28.3 | Very low | 27.2 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 52% | 0.521 | 70% | 0.703 | S | S | . | * | -174.1 | 158.7 | 50.4 | -18.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 2151 | T | 25.7 | Very low | 27.2 | Very low | 45 Ų | 45 | 112.3 Ų | 112.3 | 28% | 0.276 | 70% | 0.698 | S | S | . | * | trans | -16.6 | 163 | 149.3 | 65.3 | 0 | 0 | 0 | 0 | 119.9 | R1639 K1640 | R1639-T2151 PolarHBondContact NH1-OG1 2.67Å; R1639-T2151 PolarHBondContact NH2-OG1 2.91Å; R1639-T2151 VanDerWaalsContact NH2-OG1 3.15Å; K1640-T2151 HydrophobicContact CD-CG2 3.63Å | ||
| 2152 | T | 25.4 | Very low | 27.5 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 57% | 0.571 | 69% | 0.693 | S | S | * | * | cis | -173.3 | 168 | 43.8 | -22.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2153 | T | 25 | Very low | 27.7 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | 65.6 | 158 | 153.4 | 40.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2154 | T | 28.1 | Very low | 27.9 | Very low | 113 Ų | 113 | 109 Ų | 109 | 69% | 0.693 | 69% | 0.689 | S | S | * | * | cis | -156.2 | 160.8 | 4.4 | -1.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2155 | T | 27.9 | Very low | 27.8 | Very low | 113 Ų | 113 | 111.9 Ų | 111.9 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | trans | 57.7 | 132.5 | 145.2 | 54.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 2156 | T | 27.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 113.6 Ų | 113.6 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | trans | 60.8 | 125 | 136.5 | 57.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2157 | S | 23.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 114.5 Ų | 114.5 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | 73.2 | 139.3 | 53.7 | 80.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 2158 | V | 24.3 | Very low | 27.8 | Very low | 137 Ų | 137 | 115.4 Ų | 115.4 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | cis | -147.7 | 177 | 21.9 | -164.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2159 | S | 25.3 | Very low | 27.5 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | -103.1 | -154.6 | 170.7 | -33.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2160 | P | 40.8 | Very low | 27.5 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | cis | -141 | 168.7 | -31.6 | 37.7 | -18.5 | 0 | 0 | 0 | 117.9 | ||||
| 2161 | N | 30.8 | Very low | 27.4 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | 64.1 | 157.4 | 138.9 | -67.5 | 7 | 0 | 0 | 0 | 128.4 | ||||
| 2162 | H | 31.9 | Very low | 28 | Very low | 149 Ų | 149 | 115.5 Ų | 115.5 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | 86.6 | 147.9 | 158.4 | -61.9 | -57.8 | 0 | 0 | 0 | 120.1 | ||||
| 2163 | S | 30.8 | Very low | 28.3 | Very low | 107 Ų | 107 | 113.3 Ų | 113.3 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | cis | -170.7 | 144.3 | -17.1 | -96.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2164 | G | 28.9 | Very low | 28.6 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 78% | 0.784 | 71% | 0.707 | S | S | * | * | trans | 76.9 | 170.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2165 | L | 26.4 | Very low | 28.7 | Very low | 157 Ų | 157 | 111 Ų | 111 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | cis | -164.5 | 148 | -29.2 | -152.8 | 90.5 | 0 | 0 | 0 | 110.4 | ||||
| 2166 | L | 25 | Very low | 28.7 | Very low | 141 Ų | 141 | 111.6 Ų | 111.6 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | 58.9 | 128.8 | 166.5 | -78.9 | 167.6 | 0 | 0 | 0 | 121.2 | ||||
| 2167 | V | 29 | Very low | 28.7 | Very low | 140 Ų | 140 | 113 Ų | 113 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | -179 | 164.6 | 111 | 154.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 2168 | N | 24.6 | Very low | 28.7 | Very low | 134 Ų | 134 | 112.1 Ų | 112.1 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -96.3 | 166.6 | -155 | -58.6 | -31.9 | 0 | 0 | 0 | 117.4 | ||||
| 2169 | S | 24 | Very low | 28.8 | Very low | 113 Ų | 113 | 113.6 Ų | 113.6 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | 111.9 | 142.3 | 128.3 | 70 | 0 | 0 | 0 | 0 | 123 | |||||
| 2170 | S | 24.1 | Very low | 28.8 | Very low | 109 Ų | 109 | 113 Ų | 113 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | trans | 63.4 | 84.7 | 153.8 | 55.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2171 | A | 27.6 | Very low | 28.5 | Very low | 102 Ų | 102 | 115.4 Ų | 115.4 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | 37.3 | 147.7 | 109.3 | 0 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 2172 | S | 36.8 | Very low | 28.2 | Very low | 54 Ų | 54 | 115.5 Ų | 115.5 | 38% | 0.378 | 69% | 0.691 | S | S | . | * | trans | -91.6 | 157 | 172.3 | -52.3 | 0 | 0 | 0 | 0 | 116.7 | Y759 | Y759-S2172 VanDerWaalsContact C-OG 3.29Å; Y759-S2172 WeakPolarHBondContact O-CB 3.17Å; Y759-S2172 PolarHBondContact O-OG 2.89Å | ||
| 2173 | P | 33.4 | Very low | 28.4 | Very low | 47 Ų | 47 | 116.3 Ų | 116.3 | 31% | 0.305 | 70% | 0.699 | S | S | . | * | trans | -112.2 | -114.8 | 141.4 | -17.6 | 36.5 | 0 | 0 | 0 | 121.1 | Q757 E758 Y759 L760 | Q757-P2173 VanDerWaalsContact C-CD 3.46Å; E758-P2173 VanDerWaalsContact CA-CD 3.48Å; Y759-P2173 VanDerWaalsContact CA-O 3.31Å; Y759-P2173 WeakPolarHBondContact CA-O 3.18Å; L760-P2173 PolarHBondContact N-O 2.92Å; L760-P2173 VanDerWaalsContact N-O 3.14Å | ||
| 2174 | H | 30.3 | Very low | 28.3 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | -85.5 | -156.8 | -172.5 | -44.7 | -59.5 | 0 | 0 | 0 | 114.5 | E758 Y759 | E758-H2174 VanDerWaalsContact CB-O 3.22Å; E758-H2174 WeakPolarHBondContact CB-O 3.48Å; E758-H2174 HydrophobicContact CG-CB 4.4Å; E758-H2174 WeakPolarHBondContact CG-O 3.33Å; Y759-H2174 WeakPolarHBondContact CA-O 3.42Å; Y759-H2174 WeakPolarHBondContact CB-O 3.23Å; Y759-H2174 WeakPolarHBondContact CD1-O 3.29Å | ||
| 2175 | S | 30.6 | Very low | 28.2 | Very low | 53 Ų | 53 | 119.9 Ų | 119.9 | 37% | 0.371 | 70% | 0.703 | S | S | . | * | cis | -155.4 | 170.8 | 4.7 | 65.3 | 0 | 0 | 0 | 0 | 109.7 | E758 | E758-S2175 VanDerWaalsContact CD-OG 3.3Å; E758-S2175 WeakPolarHBondContact OE1-CB 3.31Å; E758-S2175 PolarHBondContact OE1-OG 2.95Å; E758-S2175 WeakPolarHBondContact OE2-CB 3.34Å; E758-S2175 PolarHBondContact OE2-N 3.41Å; E758-S2175 VanDerWaalsContact OE2-N 3.07Å; E758-S2175 PolarHBondContact OE2-OG 2.83Å | ||
| 2176 | V | 27.4 | Very low | 28.1 | Very low | 125 Ų | 125 | 120 Ų | 120 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | cis | 109.7 | 141.5 | -3.4 | -172.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2177 | I | 26.7 | Very low | 28.2 | Very low | 146 Ų | 146 | 119.2 Ų | 119.2 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | 105.2 | 88.2 | 168.7 | -51.7 | -168.4 | 0 | 0 | 0 | 120.5 | ||||
| 2178 | S | 24.8 | Very low | 28.2 | Very low | 85 Ų | 85 | 118.2 Ų | 118.2 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | 55.4 | 172.4 | 127.3 | 83.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 2179 | H | 26.7 | Very low | 28.1 | Very low | 168 Ų | 168 | 116.7 Ų | 116.7 | 78% | 0.778 | 69% | 0.69 | S | S | * | * | cis | -144.6 | 148.2 | 13.4 | -107.7 | -52.4 | 0 | 0 | 0 | 115.1 | ||||
| 2180 | S | 24.1 | Very low | 28.3 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | 34.5 | 137.3 | 144.6 | 65.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 2181 | D | 34.7 | Very low | 28.2 | Very low | 154 Ų | 154 | 116.4 Ų | 116.4 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | -150.7 | 167.5 | 103.9 | -136 | -27.9 | 0 | 0 | 0 | 113 | |||||
| 2182 | N | 25.4 | Very low | 28 | Very low | 137 Ų | 137 | 115.7 Ų | 115.7 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | trans | -93 | 161.5 | -174.7 | -62.4 | -90.7 | 0 | 0 | 0 | 113.2 | ||||
| 2183 | I | 34.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 117.8 Ų | 117.8 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | -177.1 | 151.8 | 122.9 | -97.4 | 158.5 | 0 | 0 | 0 | 112.6 | |||||
| 2184 | H | 28.4 | Very low | 26.9 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 85% | 0.847 | 68% | 0.675 | S | S | * | * | trans | -55.7 | 158.2 | 173.6 | -61.3 | -94.9 | 0 | 0 | 0 | 114.2 | ||||
| 2185 | G | 28 | Very low | 26.7 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | trans | -176.1 | 47.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | N2187 | G2185-N2187 PolarHBondContact O-N 3.01Š| ||
| 2186 | L | 23.4 | Very low | 26.6 | Very low | 160 Ų | 160 | 119.4 Ų | 119.4 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | trans | -22.7 | 112.5 | 147.6 | -76.9 | 164.9 | 0 | 0 | 0 | 114.3 | ||||
| 2187 | N | 28 | Very low | 26.7 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | 167.9 | 147.7 | 91.8 | -99.9 | 10.8 | 0 | 0 | 0 | 116.3 | G2185 | G2185-N2187 PolarHBondContact O-N 3.01Š| |||
| 2188 | D | 28.4 | Very low | 26.7 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 64% | 0.642 | 67% | 0.673 | S | S | * | * | trans | 58.1 | 101.5 | 136.5 | -66.8 | -49 | 0 | 0 | 0 | 124.6 | ||||
| 2189 | S | 23 | Very low | 26.7 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | 81.1 | 151.7 | 98.7 | -62.2 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 2190 | V | 27.1 | Very low | 26.5 | Very low | 117 Ų | 117 | 124 Ų | 124 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | trans | 78.2 | 85.5 | 152.7 | 168 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2191 | E | 22.3 | Very low | 26.7 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 46% | 0.463 | 68% | 0.679 | S | S | . | * | 61.3 | 121.7 | 106.4 | -69.7 | -177.8 | 131.4 | 0 | 0 | 123.5 | |||||
| 2192 | L | 23.8 | Very low | 26.3 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 46% | 0.455 | 68% | 0.676 | S | S | . | * | 75.3 | 136.5 | 121.8 | -63.2 | 172.6 | 0 | 0 | 0 | 124 | D1153 I1154 | D1153-L2192 HydrophobicContact CB-CD1 3.86Å; I1154-L2192 HydrophobicContact CG1-CD1 3.94Å | |||
| 2193 | T | 23.9 | Very low | 26.5 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | trans | 68.7 | 146.1 | 142 | 47.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2194 | S | 24.2 | Very low | 26.2 | Very low | 76 Ų | 76 | 125 Ų | 125 | 53% | 0.531 | 68% | 0.678 | S | S | . | * | cis | -154.2 | 173.4 | -12.8 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | D1150 | D1150-S2194 WeakPolarHBondContact OD2-CB 3.23Å; D1150-S2194 PolarHBondContact OD2-OG 3.46Å | ||
| 2195 | N | 26 | Very low | 26.3 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 42% | 0.422 | 68% | 0.678 | S | S | . | * | trans | 44.9 | 110.9 | 153.3 | -77 | -52.6 | 0 | 0 | 0 | 124.1 | L1149 D1150 | L1149-N2195 HydrophobicContact CD2-CB 4.49Å; D1150-N2195 PolarHBondContact OD1-ND2 2.82Å; D1150-N2195 PolarHBondContact OD2-ND2 2.81Å | ||
| 2196 | N | 28.6 | Very low | 26.4 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 60% | 0.599 | 67% | 0.668 | S | S | * | * | 33.7 | 111.7 | 106.8 | -67.6 | -41.5 | 0 | 0 | 0 | 117.4 | |||||
| 2197 | N | 28.4 | Very low | 26.6 | Very low | 113 Ų | 113 | 124 Ų | 124 | 60% | 0.604 | 67% | 0.665 | S | S | * | * | 173.5 | 138.7 | 57.9 | -105.5 | -44.5 | 0 | 0 | 0 | 111 | |||||
| 2198 | N | 26.6 | Very low | 26.5 | Very low | 156 Ų | 156 | 121.8 Ų | 121.8 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | trans | 63.7 | 145.6 | 169.5 | -55.5 | -47 | 0 | 0 | 0 | 114.9 | ||||
| 2199 | R | 24.7 | Very low | 26.4 | Very low | 208 Ų | 208 | 125 Ų | 125 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | cis | -161.2 | 135 | 37 | 178 | 178.2 | 168.4 | 176.4 | -2.6 | 112.5 | ||||
| 2200 | M | 23.4 | Very low | 27 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 71% | 0.709 | 65% | 0.648 | S | S | * | * | trans | 71 | 137.6 | 152.7 | -77.4 | 173.1 | 160 | 0 | 0 | 122.8 | ||||
| 2201 | T | 27.9 | Very low | 27.4 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 67% | 0.669 | 64% | 0.639 | S | S | * | * | trans | 81.1 | 96.9 | 139.3 | 48.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 2202 | N | 25.2 | Very low | 27.9 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | 67.5 | 99.3 | 116.9 | -56.8 | -2.9 | 0 | 0 | 0 | 120.8 | |||||
| 2203 | K | 30.6 | Very low | 28.5 | Very low | 191 Ų | 191 | 123.6 Ų | 123.6 | 83% | 0.83 | 65% | 0.648 | S | S | * | * | -175 | 121.4 | 104.1 | -93.9 | 153.4 | -175.4 | 177.2 | 0 | 109.9 | |||||
| 2204 | T | 27.8 | Very low | 29 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | 60.6 | 83.2 | 96.8 | -45.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 2205 | Q | 30.3 | Very low | 29.3 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 85% | 0.85 | 65% | 0.652 | S | S | * | * | -169.1 | 169.5 | 74.4 | -78.4 | -150.3 | 107.1 | 0 | 0 | 112 | |||||
| 2206 | A | 30.3 | Very low | 29.6 | Very low | 67 Ų | 67 | 129 Ų | 129 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | cis | -170.7 | 142.1 | -26.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2207 | I | 28.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 129 Ų | 129 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | 63.4 | 105.1 | 134.7 | -60.9 | 175.4 | 0 | 0 | 0 | 121 | ||||
| 2208 | L | 25.2 | Very low | 30 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 40% | 0.398 | 66% | 0.658 | S | S | . | * | trans | 74.5 | 88.7 | 141.9 | -63.8 | 170.2 | 0 | 0 | 0 | 123.3 | I2130 S2131 | I2130-L2208 HydrophobicContact CB-CD1 4.16Å; I2130-L2208 HydrophobicContact CG1-CD1 3.9Å; I2130-L2208 HydrophobicContact CG2-CD1 4.41Å; S2131-L2208 WeakPolarHBondContact O-CD2 3.41Å | ||
| 2209 | K | 27.3 | Very low | 30.4 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | 176 | 132.6 | 121.8 | -93 | 161.8 | -176.5 | 178.6 | 0 | 106 | |||||
| 2210 | S | 35.3 | Very low | 31 | Very low | 65 Ų | 65 | 129 Ų | 129 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | cis | -164.1 | 136.6 | 38 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | Q2212 | S2210-Q2212 VanDerWaalsContact C-N 3.26Š| ||
| 2211 | D | 34.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 54% | 0.535 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -79.3 | -7.2 | 167.3 | -74.5 | -71.5 | 0 | 0 | 0 | 113.1 | S2131 T2213 | S2131-D2211 WeakPolarHBondContact CB-OD2 3.46Å; S2131-D2211 PolarHBondContact OG-OD2 2.72Å; D2211-T2213 PolarHBondContact O-N 2.89Å |
| 2212 | Q | 33.4 | Very low | 33 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.1 | -35.9 | -170.7 | -69 | 168.1 | -78.4 | 0 | 0 | 113.7 | S2210 R2214 A2215 E2216 | S2210-Q2212 VanDerWaalsContact C-N 3.26Å; Q2212-R2214 PolarHBondContact O-N 2.86Å; Q2212-R2214 VanDerWaalsContact O-N 3.13Å; Q2212-A2215 PolarHBondContact O-N 2.93Å; Q2212-E2216 PolarHBondContact O-N 2.78Å |
| 2213 | T | 37.5 | Very low | 34.7 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 47% | 0.466 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.7 | -28 | -175.4 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | D2211 L2217 | D2211-T2213 PolarHBondContact O-N 2.89Å; T2213-L2217 WeakPolarHBondContact O-CB 3.41Å; T2213-L2217 PolarHBondContact O-N 3.38Å |
| 2214 | R | 32.5 | Very low | 36.8 | Very low | 198 Ų | 198 | 117.3 Ų | 117.3 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.3 | -32 | 178.2 | -162.9 | 171 | -173.5 | 137.4 | -1.6 | 112.7 | Q2212 Q2218 | Q2212-R2214 PolarHBondContact O-N 2.86Å; Q2212-R2214 VanDerWaalsContact O-N 3.13Å; R2214-Q2218 PolarHBondContact O-N 2.86Å |
| 2215 | A | 31.4 | Very low | 39.1 | Very low | 57 Ų | 57 | 114.8 Ų | 114.8 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.9 | -39.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q2212 Q2218 R2219 | Q2212-A2215 PolarHBondContact O-N 2.93Å; A2215-Q2218 PolarHBondContact O-N 2.83Å; A2215-R2219 PolarHBondContact O-N 3.38Å |
| 2216 | E | 31.9 | Very low | 41.2 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -40.4 | 175.4 | -67.1 | -179.8 | 113.2 | 0 | 0 | 112.3 | Q2212 Q2218 R2219 K2220 | Q2212-E2216 PolarHBondContact O-N 2.78Å; E2216-Q2218 VanDerWaalsContact C-N 3.26Å; E2216-Q2218 PolarHBondContact O-N 3.14Å; E2216-R2219 PolarHBondContact O-N 3.22Å; E2216-K2220 PolarHBondContact O-N 2.85Å |
| 2217 | L | 32.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 58% | 0.576 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -27.1 | 173 | -90.8 | 157.6 | 0 | 0 | 0 | 113.1 | T2213 N2221 | T2213-L2217 WeakPolarHBondContact O-CB 3.41Å; T2213-L2217 PolarHBondContact O-N 3.38Å; L2217-N2221 PolarHBondContact O-N 3.4Å; L2217-N2221 PolarHBondContact O-ND2 3.28Å |
| 2218 | Q | 33.3 | Very low | 46.2 | Very low | 137 Ų | 137 | 110.4 Ų | 110.4 | 64% | 0.64 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -78 | -38 | 170.8 | -74.1 | -175.8 | -41.2 | 0 | 0 | 112.4 | R2214 A2215 E2216 N2221 T2222 | R2214-Q2218 PolarHBondContact O-N 2.86Å; A2215-Q2218 PolarHBondContact O-N 2.83Å; E2216-Q2218 VanDerWaalsContact C-N 3.26Å; E2216-Q2218 PolarHBondContact O-N 3.14Å; Q2218-N2221 PolarHBondContact O-N 2.59Å; Q2218-T2222 PolarHBondContact O-N 2.64Å; Q2218-T2222 PolarHBondContact O-OG1 3.4Å |
| 2219 | R | 35.9 | Very low | 49.2 | Very low | 184 Ų | 184 | 109.1 Ų | 109.1 | 69% | 0.694 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 171.2 | -84.1 | -177.6 | 167.7 | 157.3 | -3.9 | 112.8 | A2215 E2216 N2221 T2222 L2223 | A2215-R2219 PolarHBondContact O-N 3.38Å; E2216-R2219 PolarHBondContact O-N 3.22Å; R2219-N2221 PolarHBondContact O-N 3.37Å; R2219-T2222 WeakPolarHBondContact CA-OG1 3.49Å; R2219-T2222 PolarHBondContact O-N 2.94Å; R2219-T2222 PolarHBondContact O-OG1 3.21Å; R2219-L2223 PolarHBondContact O-N 2.93Å |
| 2220 | K | 36 | Very low | 52.1 | Low | 158 Ų | 158 | 101.3 Ų | 101.3 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -24.6 | 174.3 | -73 | -169.2 | 175.6 | -169.7 | 0 | 113.2 | E2216 | E2216-K2220 PolarHBondContact O-N 2.85Å |
| 2221 | N | 41.7 | Very low | 54.5 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.1 | 171.4 | -79.9 | -80.7 | 0 | 0 | 0 | 114.2 | R2103 L2217 Q2218 R2219 | R2103-N2221 PolarHBondContact NH1-O 2.99Å; L2217-N2221 PolarHBondContact O-N 3.4Å; L2217-N2221 PolarHBondContact O-ND2 3.28Å; Q2218-N2221 PolarHBondContact O-N 2.59Å; R2219-N2221 PolarHBondContact O-N 3.37Å |
| 2222 | T | 52.1 | Low | 57.2 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -24.6 | 176 | 25.5 | 0 | 0 | 0 | 0 | 114.2 | R2103 Q2218 R2219 | R2103-T2222 PolarHBondContact NH2-O 2.86Å; Q2218-T2222 PolarHBondContact O-N 2.64Å; Q2218-T2222 PolarHBondContact O-OG1 3.4Å; R2219-T2222 WeakPolarHBondContact CA-OG1 3.49Å; R2219-T2222 PolarHBondContact O-N 2.94Å; R2219-T2222 PolarHBondContact O-OG1 3.21Å |
| 2223 | L | 60.9 | Low | 59.9 | Low | 95 Ų | 95 | 93.2 Ų | 93.2 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -65.9 | 139.9 | 166.9 | -72.4 | 162.4 | 0 | 0 | 0 | 110.9 | R2103 R2219 L2225 | R2103-L2223 VanDerWaalsContact CZ-O 3.26Å; R2103-L2223 PolarHBondContact NH1-O 2.79Å; R2103-L2223 PolarHBondContact NH2-O 3.23Å; R2219-L2223 PolarHBondContact O-N 2.93Å; L2223-L2225 HydrophobicContact CB-CD2 4.47Å |
| 2224 | F | 74.5 | Confident | 62.4 | Low | 60 Ų | 60 | 91.5 Ų | 91.5 | 26% | 0.263 | 46% | 0.457 | S | S | . | . | trans | -103.2 | 99.1 | 171.8 | -72.5 | -86.1 | 0 | 0 | 0 | 108 | Y2089 R2103 H2105 | Y2089-F2224 HydrophobicContact CD1-CB 4.43Å; Y2089-F2224 HydrophobicContact CD1-CD1 4.23Å; Y2089-F2224 AromaticContact CD2-CD1 3.5Å; Y2089-F2224 HydrophobicContact CD2-CD1 3.5Å; Y2089-F2224 VanDerWaalsContact CD2-CD1 3.5Å; Y2089-F2224 AromaticContact CD2-CE1 3.97Å; Y2089-F2224 HydrophobicContact CD2-CE1 3.97Å; Y2089-F2224 HydrophobicContact CE1-CB 4Å; Y2089-F2224 HydrophobicContact CE1-CD1 4.38Å; Y2089-F2224 HydrophobicContact CE2-CB 4.37Å; Y2089-F2224 AromaticContact CE2-CD1 3.68Å; Y2089-F2224 HydrophobicContact CE2-CD1 3.68Å; Y2089-F2224 HydrophobicContact CE2-CE1 4.33Å; Y2089-F2224 HydrophobicContact CE2-CG 4.34Å; Y2089-F2224 AromaticContact CG-CD1 3.81Å; Y2089-F2224 HydrophobicContact CG-CD1 3.81Å; Y2089-F2224 HydrophobicContact CG-CE1 4.5Å; R2103-F2224 HydrophobicContact CG-CE1 3.91Å; R2103-F2224 VanDerWaalsContact NE-CE1 3.33Å; R2103-F2224 VanDerWaalsContact NH2-CD2 3.31Å; R2103-F2224 VanDerWaalsContact NH2-CE2 3.29Å; H2105-F2224 HydrophobicContact CB-CD1 3.94Å; H2105-F2224 HydrophobicContact CB-CE1 3.59Å; H2105-F2224 HydrophobicContact CB-CE2 4.27Å; H2105-F2224 HydrophobicContact CB-CG 4.39Å; H2105-F2224 HydrophobicContact CB-CZ 3.79Å; H2105-F2224 AromaticContact CD2-CD2 3.92Å; H2105-F2224 AromaticContact CD2-CE2 3.57Å; H2105-F2224 AromaticContact CD2-CZ 3.88Å; H2105-F2224 AromaticContact CE1-CD2 3.75Å; H2105-F2224 AromaticContact CG-CD2 3.83Å; H2105-F2224 AromaticContact CG-CE1 3.92Å; H2105-F2224 AromaticContact CG-CE2 3.73Å; H2105-F2224 AromaticContact CG-CG 3.99Å; H2105-F2224 AromaticContact CG-CZ 3.78Å; H2105-F2224 AromaticContact ND1-CD2 3.72Å; H2105-F2224 AromaticContact ND1-CG 3.73Å; H2105-F2224 AromaticContact NE2-CD2 3.87Å; H2105-F2224 AromaticContact NE2-CE2 3.87Å | ||
| 2225 | L | 76.2 | Confident | 65.2 | Low | 76 Ų | 76 | 82.5 Ų | 82.5 | 40% | 0.398 | 42% | 0.424 | S | S | . | . | trans | -73.3 | 139.3 | -177.3 | -58.4 | 178.8 | 0 | 0 | 0 | 110.2 | Y2089 L2223 E2227 D2228 | Y2089-L2225 WeakPolarHBondContact CE1-O 3.43Å; L2223-L2225 HydrophobicContact CB-CD2 4.47Å; L2225-E2227 PolarHBondContact O-N 3.46Å; L2225-D2228 HydrophobicContact CB-CB 4.24Å; L2225-D2228 WeakPolarHBondContact O-CB 3.27Å; L2225-D2228 PolarHBondContact O-N 2.8Å | ||
| 2226 | P | 74.9 | Confident | 68.1 | Low | 109 Ų | 109 | 81 Ų | 81 | 71% | 0.708 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -56.8 | -35.7 | 174.1 | -26.3 | 35.6 | 0 | 0 | 0 | 112.8 | D2228 I2229 | P2226-D2228 VanDerWaalsContact C-N 3.27Å; P2226-D2228 PolarHBondContact O-N 2.69Å; P2226-I2229 WeakPolarHBondContact O-CB 3.39Å; P2226-I2229 WeakPolarHBondContact O-CG2 3.46Å; P2226-I2229 PolarHBondContact O-N 2.91Å |
| 2227 | E | 79.1 | Confident | 71 | Confident | 175 Ų | 175 | 78.1 Ų | 78.1 | 82% | 0.818 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -63.7 | -27.1 | 175.9 | -64.9 | 160 | -160.3 | 0 | 0 | 113.6 | L2225 I2229 | L2225-E2227 PolarHBondContact O-N 3.46Å; E2227-I2229 VanDerWaalsContact C-N 3.3Å; E2227-I2229 PolarHBondContact O-N 2.86Å |
| 2228 | D | 85.1 | Confident | 73.6 | Confident | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -80.1 | -10.5 | -179.6 | -82.1 | 19.6 | 0 | 0 | 0 | 112.3 | Y2089 R2090 H2092 L2225 P2226 | Y2089-D2228 CarbonylContact C-O 3.57Å; Y2089-D2228 VanDerWaalsContact CA-O 3.23Å; Y2089-D2228 WeakPolarHBondContact CA-O 3.28Å; Y2089-D2228 HydrophobicContact CD1-CB 3.81Å; R2090-D2228 PolarHBondContact N-O 2.91Å; H2092-D2228 IonicContact CE1-OD1 3.81Å; H2092-D2228 PolarHBondContact CE1-OD1 2.95Å; H2092-D2228 IonicContact CE1-OD2 2.96Å; H2092-D2228 PolarHBondContact CE1-OD2 2.62Å; H2092-D2228 VanDerWaalsContact ND1-CG 3.28Å; H2092-D2228 IonicContact ND1-OD1 2.63Å; H2092-D2228 PolarHBondContact ND1-OD1 3.18Å; H2092-D2228 IonicContact ND1-OD2 3.34Å; H2092-D2228 PolarHBondContact ND1-OD2 3.46Å; L2225-D2228 HydrophobicContact CB-CB 4.24Å; L2225-D2228 WeakPolarHBondContact O-CB 3.27Å; L2225-D2228 PolarHBondContact O-N 2.8Å; P2226-D2228 VanDerWaalsContact C-N 3.27Å; P2226-D2228 PolarHBondContact O-N 2.69Å |
| 2229 | I | 86.6 | Confident | 76.1 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 136.5 | -173 | -152.9 | 172.5 | 0 | 0 | 0 | 111.2 | Y2089 P2226 E2227 | Y2089-I2229 HydrophobicContact CD1-CB 4.01Å; Y2089-I2229 HydrophobicContact CD1-CG1 4.26Å; Y2089-I2229 HydrophobicContact CE1-CB 3.77Å; Y2089-I2229 HydrophobicContact CE1-CD1 4.35Å; Y2089-I2229 HydrophobicContact CE1-CG1 3.89Å; Y2089-I2229 HydrophobicContact CE2-CG1 4.44Å; P2226-I2229 WeakPolarHBondContact O-CB 3.39Å; P2226-I2229 WeakPolarHBondContact O-CG2 3.46Å; P2226-I2229 PolarHBondContact O-N 2.91Å; E2227-I2229 VanDerWaalsContact C-N 3.3Å; E2227-I2229 PolarHBondContact O-N 2.86Å |
| 2230 | L | 88.9 | Confident | 78.2 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | trans | -99.5 | 138.6 | 178.2 | -62.4 | 177.8 | 0 | 0 | 0 | 110.3 | V2088 R2090 F2102 V2232 F2247 | V2088-L2230 HydrophobicContact CG1-CD1 4.31Å; V2088-L2230 PolarHBondContact O-N 3.25Å; R2090-L2230 HydrophobicContact CB-CD2 4.22Å; F2102-L2230 HydrophobicContact CD1-CD1 3.66Å; F2102-L2230 HydrophobicContact CE1-CD1 3.89Å; L2230-V2232 VanDerWaalsContact C-N 3.35Å; L2230-V2232 HydrophobicContact CB-CG2 4.35Å; L2230-V2232 PolarHBondContact O-N 3.4Å; L2230-F2247 HydrophobicContact CB-CE1 4.1Å; L2230-F2247 HydrophobicContact CD1-CE1 4.06Å; L2230-F2247 HydrophobicContact CD1-CZ 4.48Å | ||
| 2231 | P | 86.6 | Confident | 80.6 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | trans | -70.5 | 92.3 | 173.6 | 29.5 | -33.7 | 0 | 0 | 0 | 109.6 | ||||
| 2232 | V | 90.8 | Very high | 82.8 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | trans | -100.8 | 126.8 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 108.9 | N2070 V2088 L2230 T2235 I2245 C2246 F2247 | N2070-V2232 WeakPolarHBondContact ND2-CG1 3.44Å; V2088-V2232 HydrophobicContact CB-CG2 3.72Å; V2088-V2232 HydrophobicContact CG1-CG2 4.12Å; V2088-V2232 HydrophobicContact CG2-CB 4.42Å; V2088-V2232 HydrophobicContact CG2-CG1 4.38Å; V2088-V2232 HydrophobicContact CG2-CG2 3.89Å; L2230-V2232 VanDerWaalsContact C-N 3.35Å; L2230-V2232 HydrophobicContact CB-CG2 4.35Å; L2230-V2232 PolarHBondContact O-N 3.4Å; V2232-T2235 HydrophobicContact CG1-CG2 3.63Å; V2232-I2245 HydrophobicContact CB-CG2 4.3Å; V2232-I2245 HydrophobicContact CG1-CG2 3.75Å; V2232-I2245 HydrophobicContact CG2-CG2 3.5Å; V2232-C2246 CarbonylContact C-O 3.55Å; V2232-C2246 WeakPolarHBondContact CA-O 3.31Å; V2232-C2246 WeakPolarHBondContact CG1-O 3.46Å; V2232-F2247 HydrophobicContact CG2-CD1 3.94Å; V2232-F2247 HydrophobicContact CG2-CE1 3.58Å; V2232-F2247 HydrophobicContact CG2-CZ 4.3Å | ||
| 2233 | V | 89.9 | Confident | 84.7 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -69.2 | -51.1 | 177.5 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | C2246 L2248 V2277 E2278 | V2233-C2246 HydrophobicContact CB-CB 4.31Å; V2233-C2246 PolarHBondContact N-O 3.03Å; V2233-L2248 HydrophobicContact CG2-CD2 4.06Å; V2233-V2277 HydrophobicContact CG1-CG1 4.33Å; V2233-E2278 VanDerWaalsContact CG1-O 3.28Å; V2233-E2278 WeakPolarHBondContact CG1-O 3.43Å |
| 2234 | E | 89.4 | Confident | 86.3 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 148.5 | -177 | -162.4 | 163.9 | -177.9 | 0 | 0 | 110.3 | V2236 C2246 I2280 Y2320 | E2234-V2236 HydrophobicContact CG-CG2 4.08Å; E2234-C2246 PolarHBondContact O-N 2.81Å; E2234-I2280 HydrophobicContact CB-CD1 4.23Å; E2234-I2280 HydrophobicContact CB-CG1 4.01Å; E2234-I2280 HydrophobicContact CG-CG1 4.38Å; E2234-I2280 VanDerWaalsContact OE2-CG1 3.28Å; E2234-I2280 WeakPolarHBondContact OE2-CG1 3.33Å; E2234-Y2320 PolarHBondContact OE1-OH 3.32Å |
| 2235 | T | 92.2 | Very high | 87.3 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.3 | 165.8 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | D2072 V2088 V2232 L2244 I2245 | D2072-T2235 VanDerWaalsContact CB-OG1 3.29Å; D2072-T2235 WeakPolarHBondContact CB-OG1 3.33Å; D2072-T2235 WeakPolarHBondContact OD2-CB 3.38Å; D2072-T2235 PolarHBondContact OD2-N 3.13Å; D2072-T2235 PolarHBondContact OD2-OG1 3.37Å; V2088-T2235 HydrophobicContact CG2-CG2 3.89Å; V2232-T2235 HydrophobicContact CG1-CG2 3.63Å; T2235-L2244 WeakPolarHBondContact CA-O 3.16Å; T2235-I2245 HydrophobicContact CG2-CG1 4.28Å; T2235-I2245 HydrophobicContact CG2-CG2 4.31Å |
| 2236 | V | 91.6 | Very high | 88.1 | Confident | 27 Ų | 27 | 43.6 Ų | 43.6 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127 | -175.3 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | E2234 L2238 I2243 L2244 I2280 C2282 | E2234-V2236 HydrophobicContact CG-CG2 4.08Å; V2236-L2238 PolarHBondContact O-N 3.28Å; V2236-I2243 CarbonylContact O-C 3.52Å; V2236-I2243 WeakPolarHBondContact O-CA 3.45Å; V2236-L2244 PolarHBondContact N-O 3.04Å; V2236-L2244 PolarHBondContact O-N 3.11Å; V2236-I2280 HydrophobicContact CG2-CD1 3.72Å; V2236-I2280 HydrophobicContact CG2-CG1 4.42Å; V2236-C2282 HydrophobicContact CG1-CB 4Å |
| 2237 | Q | 92.1 | Very high | 89 | Confident | 52 Ų | 52 | 39.4 Ų | 39.4 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 107.9 | 176.1 | -170.3 | 177.4 | 9.7 | 0 | 0 | 110.8 | L2074 I2075 E2239 | L2074-Q2237 HydrophobicContact CD2-CB 3.89Å; L2074-Q2237 HydrophobicContact CD2-CG 4.42Å; I2075-Q2237 PolarHBondContact O-NE2 3.18Å; I2075-Q2237 PolarHBondContact O-OE1 3.29Å; Q2237-E2239 WeakPolarHBondContact CG-O 3.17Å; Q2237-E2239 PolarHBondContact NE2-O 3.49Å |
| 2238 | L | 88.3 | Confident | 89.5 | Confident | 43 Ų | 43 | 35.1 Ų | 35.1 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -36.2 | 174.5 | -56.6 | -178 | 0 | 0 | 0 | 111.7 | V2236 T2242 L2244 C2282 F2300 | V2236-L2238 PolarHBondContact O-N 3.28Å; L2238-T2242 HydrophobicContact CB-CG2 4.12Å; L2238-T2242 HydrophobicContact CD1-CG2 4.28Å; L2238-T2242 PolarHBondContact N-O 2.9Å; L2238-L2244 HydrophobicContact CD1-CB 4.14Å; L2238-L2244 HydrophobicContact CD1-CD1 4.49Å; L2238-L2244 HydrophobicContact CD2-CB 4.35Å; L2238-L2244 HydrophobicContact CG-CB 4.1Å; L2238-C2282 HydrophobicContact CD2-CB 4.5Å; L2238-F2300 HydrophobicContact CD1-CE1 4.08Å; L2238-F2300 HydrophobicContact CD2-CE1 4.01Å; L2238-F2300 HydrophobicContact CD2-CZ 3.81Å |
| 2239 | E | 84.7 | Confident | 89.7 | Confident | 70 Ų | 70 | 38.1 Ų | 38.1 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 168.6 | -176.8 | -48.6 | 171.2 | 159.9 | 0 | 0 | 111.9 | Q2237 N2241 T2242 K2261 R2266 | Q2237-E2239 WeakPolarHBondContact CG-O 3.17Å; Q2237-E2239 PolarHBondContact NE2-O 3.49Å; E2239-N2241 PolarHBondContact O-N 2.99Å; E2239-T2242 PolarHBondContact N-O 2.85Å; E2239-T2242 VanDerWaalsContact N-O 3.07Å; E2239-T2242 PolarHBondContact O-N 2.83Å; E2239-T2242 WeakPolarHBondContact OE2-CB 3.31Å; E2239-T2242 PolarHBondContact OE2-OG1 3.04Å; E2239-K2261 IonicContact OE2-NZ 2.7Å; E2239-R2266 IonicContact OE1-CZ 3.34Å; E2239-R2266 IonicContact OE1-NH1 2.89Å; E2239-R2266 PolarHBondContact OE1-NH1 2.98Å; E2239-R2266 IonicContact OE1-NH2 2.82Å |
| 2240 | H | 81.4 | Confident | 90 | Very high | 107 Ų | 107 | 36.1 Ų | 36.1 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -21.3 | 177.8 | 73.2 | -83.8 | 0 | 0 | 0 | 116.2 | F2027 | F2027-H2240 HydrophobicContact CZ-CB 4.34Š|
| 2241 | N | 84.9 | Confident | 90.2 | Very high | 54 Ų | 54 | 35 Ų | 35 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -148.1 | 43.2 | 171.3 | -173.1 | 13 | 0 | 0 | 0 | 110.7 | E2239 L2256 K2261 | E2239-N2241 PolarHBondContact O-N 2.99Å; N2241-L2256 HydrophobicContact CB-CD1 4.2Å; N2241-L2256 WeakPolarHBondContact OD1-CB 3.43Å; N2241-L2256 WeakPolarHBondContact OD1-CG 3.22Å; N2241-L2256 PolarHBondContact OD1-N 3.17Å; N2241-K2261 PolarHBondContact O-NZ 2.8Å |
| 2242 | T | 89.3 | Confident | 90.6 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 122.2 | 175.5 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | L2238 E2239 V2253 V2254 K2261 | L2238-T2242 HydrophobicContact CB-CG2 4.12Å; L2238-T2242 HydrophobicContact CD1-CG2 4.28Å; L2238-T2242 PolarHBondContact N-O 2.9Å; E2239-T2242 PolarHBondContact N-O 2.85Å; E2239-T2242 VanDerWaalsContact N-O 3.07Å; E2239-T2242 PolarHBondContact O-N 2.83Å; E2239-T2242 WeakPolarHBondContact OE2-CB 3.31Å; E2239-T2242 PolarHBondContact OE2-OG1 3.04Å; T2242-V2253 HydrophobicContact CG2-CG1 3.49Å; T2242-V2253 VanDerWaalsContact CG2-CG1 3.49Å; T2242-V2254 CarbonylContact C-O 3.57Å; T2242-V2254 WeakPolarHBondContact CA-O 3.44Å; T2242-K2261 HydrophobicContact CG2-CD 4.27Å; T2242-K2261 PolarHBondContact OG1-NZ 2.88Å |
| 2243 | I | 92.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.8 | 176.4 | -66.1 | 172 | 0 | 0 | 0 | 108.4 | L2074 L2104 V2236 I2245 V2254 L2256 | L2074-I2243 HydrophobicContact CD1-CD1 3.61Å; L2074-I2243 HydrophobicContact CD2-CD1 3.67Å; L2074-I2243 HydrophobicContact CD2-CG1 4.02Å; L2074-I2243 HydrophobicContact CG-CD1 4.26Å; L2104-I2243 HydrophobicContact CD1-CD1 4.06Å; V2236-I2243 CarbonylContact O-C 3.52Å; V2236-I2243 WeakPolarHBondContact O-CA 3.45Å; I2243-I2245 HydrophobicContact CG2-CG1 4.09Å; I2243-V2254 HydrophobicContact CB-CG2 4.02Å; I2243-V2254 HydrophobicContact CG2-CG2 4.41Å; I2243-V2254 PolarHBondContact N-O 2.89Å; I2243-V2254 PolarHBondContact O-N 3.26Å; I2243-L2256 HydrophobicContact CD1-CD2 3.7Å; I2243-L2256 HydrophobicContact CG1-CD2 4.49Å |
| 2244 | L | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.3 | 161.4 | -175.2 | 104.3 | 0 | 0 | 0 | 108.1 | T2235 V2236 L2238 A2251 V2253 L2270 I2280 I2287 | T2235-L2244 WeakPolarHBondContact CA-O 3.16Å; V2236-L2244 PolarHBondContact N-O 3.04Å; V2236-L2244 PolarHBondContact O-N 3.11Å; L2238-L2244 HydrophobicContact CD1-CB 4.14Å; L2238-L2244 HydrophobicContact CD1-CD1 4.49Å; L2238-L2244 HydrophobicContact CD2-CB 4.35Å; L2238-L2244 HydrophobicContact CG-CB 4.1Å; L2244-A2251 HydrophobicContact CD1-CB 3.79Å; L2244-A2251 HydrophobicContact CD2-CB 3.95Å; L2244-A2251 HydrophobicContact CG-CB 3.88Å; L2244-V2253 HydrophobicContact CD1-CG2 4.12Å; L2244-L2270 HydrophobicContact CD1-CD1 4.38Å; L2244-I2280 HydrophobicContact CD2-CD1 3.57Å; L2244-I2287 HydrophobicContact CD2-CD1 3.59Å |
| 2245 | I | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.6 | 169.3 | -56.4 | 174.1 | 0 | 0 | 0 | 107.2 | V2088 F2102 L2104 V2232 T2235 I2243 F2247 A2251 K2252 V2254 | V2088-I2245 HydrophobicContact CG1-CD1 4Å; V2088-I2245 HydrophobicContact CG1-CG2 4.42Å; V2088-I2245 HydrophobicContact CG2-CD1 4.49Å; V2088-I2245 HydrophobicContact CG2-CG2 4.39Å; F2102-I2245 HydrophobicContact CB-CD1 4.41Å; F2102-I2245 HydrophobicContact CD2-CD1 4.45Å; F2102-I2245 HydrophobicContact CG-CD1 4.31Å; L2104-I2245 HydrophobicContact CD2-CD1 3.99Å; V2232-I2245 HydrophobicContact CB-CG2 4.3Å; V2232-I2245 HydrophobicContact CG1-CG2 3.75Å; V2232-I2245 HydrophobicContact CG2-CG2 3.5Å; T2235-I2245 HydrophobicContact CG2-CG1 4.28Å; T2235-I2245 HydrophobicContact CG2-CG2 4.31Å; I2243-I2245 HydrophobicContact CG2-CG1 4.09Å; I2245-F2247 HydrophobicContact CB-CE2 4.15Å; I2245-F2247 HydrophobicContact CB-CZ 4.27Å; I2245-F2247 HydrophobicContact CG2-CD2 4.42Å; I2245-F2247 HydrophobicContact CG2-CE1 3.99Å; I2245-F2247 HydrophobicContact CG2-CE2 3.71Å; I2245-F2247 HydrophobicContact CG2-CZ 3.47Å; I2245-F2247 VanDerWaalsContact CG2-CZ 3.47Å; I2245-A2251 CarbonylContact O-C 3.57Å; I2245-A2251 VanDerWaalsContact O-CA 3.27Å; I2245-A2251 WeakPolarHBondContact O-CA 3.1Å; I2245-K2252 PolarHBondContact N-O 3.41Å; I2245-K2252 PolarHBondContact O-N 2.84Å; I2245-V2254 HydrophobicContact CD1-CG1 4.15Å; I2245-V2254 HydrophobicContact CD1-CG2 3.72Å; I2245-V2254 HydrophobicContact CG1-CG2 3.98Å |
| 2246 | C | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.7 | 174.8 | -160.3 | 0 | 0 | 0 | 0 | 110.9 | V2232 V2233 E2234 A2251 I2280 | V2232-C2246 CarbonylContact C-O 3.55Å; V2232-C2246 WeakPolarHBondContact CA-O 3.31Å; V2232-C2246 WeakPolarHBondContact CG1-O 3.46Å; V2233-C2246 HydrophobicContact CB-CB 4.31Å; V2233-C2246 PolarHBondContact N-O 3.03Å; E2234-C2246 PolarHBondContact O-N 2.81Å; C2246-A2251 HydrophobicContact CB-CB 4.31Å; C2246-I2280 HydrophobicContact CB-CD1 3.87Å; C2246-I2280 HydrophobicContact CB-CG2 4.43Å |
| 2247 | F | 92.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | trans | -99.1 | -173.5 | 167.4 | -55.8 | -82.6 | 0 | 0 | 0 | 109 | F2102 L2230 V2232 I2245 D2249 C2250 K2252 | F2102-F2247 HydrophobicContact CD1-CZ 4.11Å; F2102-F2247 HydrophobicContact CE1-CE1 4.37Å; F2102-F2247 HydrophobicContact CE1-CE2 4.22Å; F2102-F2247 AromaticContact CE1-CZ 3.54Å; F2102-F2247 HydrophobicContact CE1-CZ 3.54Å; F2102-F2247 HydrophobicContact CZ-CE2 4.21Å; F2102-F2247 AromaticContact CZ-CZ 3.99Å; F2102-F2247 HydrophobicContact CZ-CZ 3.99Å; L2230-F2247 HydrophobicContact CB-CE1 4.1Å; L2230-F2247 HydrophobicContact CD1-CE1 4.06Å; L2230-F2247 HydrophobicContact CD1-CZ 4.48Å; V2232-F2247 HydrophobicContact CG2-CD1 3.94Å; V2232-F2247 HydrophobicContact CG2-CE1 3.58Å; V2232-F2247 HydrophobicContact CG2-CZ 4.3Å; I2245-F2247 HydrophobicContact CB-CE2 4.15Å; I2245-F2247 HydrophobicContact CB-CZ 4.27Å; I2245-F2247 HydrophobicContact CG2-CD2 4.42Å; I2245-F2247 HydrophobicContact CG2-CE1 3.99Å; I2245-F2247 HydrophobicContact CG2-CE2 3.71Å; I2245-F2247 HydrophobicContact CG2-CZ 3.47Å; I2245-F2247 VanDerWaalsContact CG2-CZ 3.47Å; F2247-D2249 VanDerWaalsContact C-N 3.29Å; F2247-D2249 PolarHBondContact O-N 3.34Å; F2247-C2250 WeakPolarHBondContact CA-O 3.31Å; F2247-C2250 WeakPolarHBondContact CB-O 3.36Å; F2247-C2250 PolarHBondContact N-O 3.44Å; F2247-K2252 HydrophobicContact CD2-CD 4.4Å; F2247-K2252 HydrophobicContact CE2-CB 4.23Å; F2247-K2252 HydrophobicContact CE2-CD 3.96Å; F2247-K2252 HydrophobicContact CE2-CG 4.27Å | ||
| 2248 | L | 90.6 | Very high | 90.4 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 45% | 0.445 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -70.7 | -21.1 | -179.2 | -67.9 | 168.7 | 0 | 0 | 0 | 113.8 | V2233 T2276 V2277 | V2233-L2248 HydrophobicContact CG2-CD2 4.06Å; L2248-T2276 HydrophobicContact CD2-CG2 4.26Å; L2248-T2276 CarbonylContact O-C 3.51Å; L2248-T2276 VanDerWaalsContact O-CA 3.31Å; L2248-T2276 WeakPolarHBondContact O-CA 3.45Å; L2248-V2277 PolarHBondContact O-N 2.83Å |
| 2249 | D | 90 | Very high | 90.4 | Very high | 87 Ų | 87 | 35 Ų | 35 | 47% | 0.465 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -124.1 | -24.4 | -170.7 | 63.3 | -22.3 | 0 | 0 | 0 | 113.8 | F2247 F2272 | F2247-D2249 VanDerWaalsContact C-N 3.29Å; F2247-D2249 PolarHBondContact O-N 3.34Å; D2249-F2272 WeakPolarHBondContact O-CB 3.15Å; D2249-F2272 WeakPolarHBondContact O-CD2 3.35Å; D2249-F2272 PolarHBondContact O-N 2.84Å |
| 2250 | C | 92.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 159.6 | -175 | 66.9 | 0 | 0 | 0 | 0 | 112 | F2247 K2252 T2269 L2270 F2272 | F2247-C2250 WeakPolarHBondContact CA-O 3.31Å; F2247-C2250 WeakPolarHBondContact CB-O 3.36Å; F2247-C2250 PolarHBondContact N-O 3.44Å; C2250-K2252 VanDerWaalsContact SG-CE 3.58Å; C2250-T2269 HydrophobicContact CB-CG2 3.91Å; C2250-L2270 CarbonylContact C-O 2.81Å; C2250-L2270 WeakPolarHBondContact CA-O 3.28Å; C2250-L2270 WeakPolarHBondContact CB-O 3.14Å; C2250-F2272 VanDerWaalsContact C-CE2 3.48Å |
| 2251 | A | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2244 I2245 C2246 T2269 L2270 F2272 | L2244-A2251 HydrophobicContact CD1-CB 3.79Å; L2244-A2251 HydrophobicContact CD2-CB 3.95Å; L2244-A2251 HydrophobicContact CG-CB 3.88Å; I2245-A2251 CarbonylContact O-C 3.57Å; I2245-A2251 VanDerWaalsContact O-CA 3.27Å; I2245-A2251 WeakPolarHBondContact O-CA 3.1Å; C2246-A2251 HydrophobicContact CB-CB 4.31Å; A2251-T2269 CarbonylContact O-C 3.4Å; A2251-T2269 WeakPolarHBondContact O-CA 3.46Å; A2251-L2270 PolarHBondContact N-O 2.84Å; A2251-L2270 PolarHBondContact O-N 2.81Å; A2251-F2272 HydrophobicContact CB-CE2 3.82Å; A2251-F2272 HydrophobicContact CB-CZ 3.57Å |
| 2252 | K | 93.4 | Very high | 90.4 | Very high | 50 Ų | 50 | 34.8 Ų | 34.8 | 22% | 0.217 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.8 | -173.5 | -69.8 | 175.3 | 176.1 | 148.2 | 0 | 111.7 | F2102 I2245 F2247 C2250 T2269 | F2102-K2252 HydrophobicContact CE2-CD 4.27Å; F2102-K2252 HydrophobicContact CZ-CD 3.84Å; I2245-K2252 PolarHBondContact N-O 3.41Å; I2245-K2252 PolarHBondContact O-N 2.84Å; F2247-K2252 HydrophobicContact CD2-CD 4.4Å; F2247-K2252 HydrophobicContact CE2-CB 4.23Å; F2247-K2252 HydrophobicContact CE2-CD 3.96Å; F2247-K2252 HydrophobicContact CE2-CG 4.27Å; C2250-K2252 VanDerWaalsContact SG-CE 3.58Å; K2252-T2269 HydrophobicContact CD-CG2 4.44Å; K2252-T2269 HydrophobicContact CG-CG2 3.84Å |
| 2253 | V | 92.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.9 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | T2242 L2244 I2260 K2261 A2267 T2268 | T2242-V2253 HydrophobicContact CG2-CG1 3.49Å; T2242-V2253 VanDerWaalsContact CG2-CG1 3.49Å; L2244-V2253 HydrophobicContact CD1-CG2 4.12Å; V2253-I2260 WeakPolarHBondContact O-CA 3.25Å; V2253-K2261 HydrophobicContact CG1-CB 4.48Å; V2253-K2261 PolarHBondContact O-N 2.81Å; V2253-A2267 WeakPolarHBondContact CG2-O 3.5Å; V2253-T2268 PolarHBondContact N-O 2.82Å |
| 2254 | V | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 166.2 | -175.7 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | F2102 T2242 I2243 I2245 Q2259 I2260 | F2102-V2254 HydrophobicContact CD2-CG1 3.79Å; F2102-V2254 HydrophobicContact CE2-CG1 4.15Å; T2242-V2254 CarbonylContact C-O 3.57Å; T2242-V2254 WeakPolarHBondContact CA-O 3.44Å; I2243-V2254 HydrophobicContact CB-CG2 4.02Å; I2243-V2254 HydrophobicContact CG2-CG2 4.41Å; I2243-V2254 PolarHBondContact N-O 2.89Å; I2243-V2254 PolarHBondContact O-N 3.26Å; I2245-V2254 HydrophobicContact CD1-CG1 4.15Å; I2245-V2254 HydrophobicContact CD1-CG2 3.72Å; I2245-V2254 HydrophobicContact CG1-CG2 3.98Å; V2254-Q2259 CarbonylContact C-O 3.54Å; V2254-Q2259 VanDerWaalsContact CA-O 3.3Å; V2254-Q2259 WeakPolarHBondContact CA-O 3.31Å; V2254-I2260 HydrophobicContact CG1-CG1 4.19Å |
| 2255 | S | 91.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -86.3 | 167.1 | 165.2 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | N2257 G2258 Q2259 | S2255-N2257 PolarHBondContact O-N 3.06Å; S2255-N2257 VanDerWaalsContact O-N 3.09Å; S2255-G2258 WeakPolarHBondContact O-CA 3.37Å; S2255-G2258 PolarHBondContact O-N 2.79Å; S2255-Q2259 PolarHBondContact N-O 2.96Å; S2255-Q2259 PolarHBondContact OG-N 2.88Å; S2255-Q2259 PolarHBondContact OG-O 3.07Å | ||
| 2256 | L | 88.9 | Confident | 86.8 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.8 | 170.8 | -70.5 | 163.9 | 0 | 0 | 0 | 112.9 | L2074 V2076 L2106 N2241 I2243 G2258 | L2074-L2256 HydrophobicContact CD1-CD2 4.28Å; V2076-L2256 HydrophobicContact CG2-CD1 4.03Å; L2106-L2256 HydrophobicContact CD1-CD2 4.3Å; N2241-L2256 HydrophobicContact CB-CD1 4.2Å; N2241-L2256 WeakPolarHBondContact OD1-CB 3.43Å; N2241-L2256 WeakPolarHBondContact OD1-CG 3.22Å; N2241-L2256 PolarHBondContact OD1-N 3.17Å; I2243-L2256 HydrophobicContact CD1-CD2 3.7Å; I2243-L2256 HydrophobicContact CG1-CD2 4.49Å; L2256-G2258 PolarHBondContact O-N 2.84Å |
| 2257 | N | 87.4 | Confident | 86.2 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6.5 | 175.3 | -64.6 | -17.7 | 0 | 0 | 0 | 113.7 | R2101 S2255 Q2259 | R2101-N2257 PolarHBondContact NE-O 3.37Å; R2101-N2257 VanDerWaalsContact NE-O 3.09Å; R2101-N2257 PolarHBondContact NH2-O 2.98Å; R2101-N2257 VanDerWaalsContact NH2-O 3.07Å; S2255-N2257 PolarHBondContact O-N 3.06Å; S2255-N2257 VanDerWaalsContact O-N 3.09Å; N2257-Q2259 PolarHBondContact O-N 2.78Å |
| 2258 | G | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 72.9 | 2.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R2101 F2102 S2255 L2256 | R2101-G2258 WeakPolarHBondContact CA-O 3.19Å; F2102-G2258 PolarHBondContact N-O 2.87Å; F2102-G2258 WeakPolarHBondContact O-CA 3.26Å; S2255-G2258 WeakPolarHBondContact O-CA 3.37Å; S2255-G2258 PolarHBondContact O-N 2.79Å; L2256-G2258 PolarHBondContact O-N 2.84Å |
| 2259 | Q | 88.2 | Confident | 85.7 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -79.6 | 133.8 | 176.3 | -63.2 | 172.5 | -56.1 | 0 | 0 | 110 | R2101 V2254 S2255 N2257 | R2101-Q2259 HydrophobicContact CG-CG 4.21Å; V2254-Q2259 CarbonylContact C-O 3.54Å; V2254-Q2259 VanDerWaalsContact CA-O 3.3Å; V2254-Q2259 WeakPolarHBondContact CA-O 3.31Å; S2255-Q2259 PolarHBondContact N-O 2.96Å; S2255-Q2259 PolarHBondContact OG-N 2.88Å; S2255-Q2259 PolarHBondContact OG-O 3.07Å; N2257-Q2259 PolarHBondContact O-N 2.78Å |
| 2260 | I | 87.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -57.9 | 135.4 | 172 | -65 | 179.9 | 0 | 0 | 0 | 109.8 | G2099 Q2100 F2102 V2253 V2254 T2268 | G2099-I2260 WeakPolarHBondContact O-CD1 3.41Å; Q2100-I2260 PolarHBondContact O-N 2.9Å; F2102-I2260 HydrophobicContact CE2-CD1 4.2Å; F2102-I2260 HydrophobicContact CE2-CG1 4.07Å; V2253-I2260 WeakPolarHBondContact O-CA 3.25Å; V2254-I2260 HydrophobicContact CG1-CG1 4.19Å; I2260-T2268 HydrophobicContact CG2-CG2 4.47Å |
| 2261 | K | 85.9 | Confident | 85.7 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 124.7 | 177.6 | -64.4 | -178.4 | 77.4 | 175.8 | 0 | 110.2 | E2239 N2241 T2242 V2253 T2268 | E2239-K2261 IonicContact OE2-NZ 2.7Å; N2241-K2261 PolarHBondContact O-NZ 2.8Å; T2242-K2261 HydrophobicContact CG2-CD 4.27Å; T2242-K2261 PolarHBondContact OG1-NZ 2.88Å; V2253-K2261 HydrophobicContact CG1-CB 4.48Å; V2253-K2261 PolarHBondContact O-N 2.81Å; K2261-T2268 WeakPolarHBondContact O-CG2 3.47Å |
| 2262 | S | 78 | Confident | 85.6 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 78% | 0.783 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 140.6 | 166.5 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 2263 | S | 76 | Confident | 85.2 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | trans | -140.8 | 156.2 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | H2265 R2266 | S2263-H2265 PolarHBondContact OG-N 2.78Å; S2263-H2265 VanDerWaalsContact OG-N 3.12Å; S2263-R2266 PolarHBondContact OG-N 2.77Å | ||
| 2264 | R | 69 | Low | 84.7 | Confident | 243 Ų | 243 | 67.5 Ų | 67.5 | 92% | 0.917 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -82.8 | -19.5 | 168.4 | -70 | -174.8 | 180 | 176.3 | 0 | 112.9 | ||
| 2265 | H | 73.1 | Confident | 84.5 | Confident | 149 Ų | 149 | 69.1 Ų | 69.1 | 69% | 0.69 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -116.1 | -1 | -171.3 | -53.4 | -76.3 | 0 | 0 | 0 | 113.4 | S2263 | S2263-H2265 PolarHBondContact OG-N 2.78Å; S2263-H2265 VanDerWaalsContact OG-N 3.12Å |
| 2266 | R | 77.5 | Confident | 84.5 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 28% | 0.275 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -141 | 138.3 | 172.9 | -62.2 | -165.1 | -179 | 121 | -2 | 110.4 | E2239 S2263 F2300 | E2239-R2266 IonicContact OE1-CZ 3.34Å; E2239-R2266 IonicContact OE1-NH1 2.89Å; E2239-R2266 PolarHBondContact OE1-NH1 2.98Å; E2239-R2266 IonicContact OE1-NH2 2.82Å; S2263-R2266 PolarHBondContact OG-N 2.77Å; R2266-F2300 CarbonylContact C-O 3.53Å; R2266-F2300 VanDerWaalsContact CA-O 3.26Å; R2266-F2300 WeakPolarHBondContact CA-O 3.22Å; R2266-F2300 HydrophobicContact CB-CB 4.31Å; R2266-F2300 HydrophobicContact CG-CB 3.79Å |
| 2267 | A | 79.5 | Confident | 84.6 | Confident | 27 Ų | 27 | 71.4 Ų | 71.4 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | trans | -62.4 | 144.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | V2253 L2270 F2300 | V2253-A2267 WeakPolarHBondContact CG2-O 3.5Å; A2267-L2270 HydrophobicContact CB-CD2 3.78Å; A2267-L2270 HydrophobicContact CB-CG 4.39Å; A2267-F2300 PolarHBondContact N-O 3.4Å | ||
| 2268 | T | 83.1 | Confident | 84.8 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 34% | 0.337 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -79.8 | -29.4 | 178.2 | 64.2 | 0 | 0 | 0 | 0 | 112 | V2253 I2260 K2261 | V2253-T2268 PolarHBondContact N-O 2.82Å; I2260-T2268 HydrophobicContact CG2-CG2 4.47Å; K2261-T2268 WeakPolarHBondContact O-CG2 3.47Å |
| 2269 | T | 89.8 | Confident | 85 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.8 | 171 | -55.4 | 0 | 0 | 0 | 0 | 107.2 | C2250 A2251 K2252 | C2250-T2269 HydrophobicContact CB-CG2 3.91Å; A2251-T2269 CarbonylContact O-C 3.4Å; A2251-T2269 WeakPolarHBondContact O-CA 3.46Å; K2252-T2269 HydrophobicContact CD-CG2 4.44Å; K2252-T2269 HydrophobicContact CG-CG2 3.84Å |
| 2270 | L | 91.7 | Very high | 85.3 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108.4 | 165.8 | -66.2 | 169.8 | 0 | 0 | 0 | 106.8 | L2244 C2250 A2251 A2267 F2272 I2287 F2300 | L2244-L2270 HydrophobicContact CD1-CD1 4.38Å; C2250-L2270 CarbonylContact C-O 2.81Å; C2250-L2270 WeakPolarHBondContact CA-O 3.28Å; C2250-L2270 WeakPolarHBondContact CB-O 3.14Å; A2251-L2270 PolarHBondContact N-O 2.84Å; A2251-L2270 PolarHBondContact O-N 2.81Å; A2267-L2270 HydrophobicContact CB-CD2 3.78Å; A2267-L2270 HydrophobicContact CB-CG 4.39Å; L2270-F2272 HydrophobicContact CB-CE1 3.89Å; L2270-F2272 HydrophobicContact CB-CZ 4.14Å; L2270-I2287 HydrophobicContact CD1-CG2 3.9Å; L2270-F2300 HydrophobicContact CD1-CD1 4.16Å |
| 2271 | D | 90.9 | Very high | 85.5 | Confident | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 141.4 | 170.4 | -171.3 | -25.6 | 0 | 0 | 0 | 109.1 | N2273 K2298 | D2271-N2273 PolarHBondContact OD1-N 2.79Å; D2271-K2298 PolarHBondContact O-NZ 3.29Å |
| 2272 | F | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -106.8 | 23.6 | 176.4 | -52.6 | -50.4 | 0 | 0 | 0 | 113.4 | D2249 C2250 A2251 L2270 G2274 I2275 V2277 I2287 V2289 L2296 K2298 | D2249-F2272 WeakPolarHBondContact O-CB 3.15Å; D2249-F2272 WeakPolarHBondContact O-CD2 3.35Å; D2249-F2272 PolarHBondContact O-N 2.84Å; C2250-F2272 VanDerWaalsContact C-CE2 3.48Å; A2251-F2272 HydrophobicContact CB-CE2 3.82Å; A2251-F2272 HydrophobicContact CB-CZ 3.57Å; L2270-F2272 HydrophobicContact CB-CE1 3.89Å; L2270-F2272 HydrophobicContact CB-CZ 4.14Å; F2272-G2274 VanDerWaalsContact C-N 3.27Å; F2272-G2274 PolarHBondContact O-N 2.89Å; F2272-I2275 VanDerWaalsContact O-CB 3.3Å; F2272-I2275 WeakPolarHBondContact O-CB 3.18Å; F2272-I2275 WeakPolarHBondContact O-CG1 3.41Å; F2272-I2275 PolarHBondContact O-N 3.43Å; F2272-I2275 VanDerWaalsContact O-N 3.11Å; F2272-V2277 HydrophobicContact CB-CG2 4.45Å; F2272-V2277 HydrophobicContact CD2-CG2 3.41Å; F2272-V2277 VanDerWaalsContact CD2-CG2 3.41Å; F2272-V2277 HydrophobicContact CE2-CG2 3.93Å; F2272-V2277 HydrophobicContact CG-CG2 4.19Å; F2272-I2287 HydrophobicContact CE1-CG2 4.43Å; F2272-I2287 HydrophobicContact CZ-CD1 4.46Å; F2272-V2289 HydrophobicContact CD1-CG1 4.47Å; F2272-V2289 HydrophobicContact CD1-CG2 3.88Å; F2272-V2289 HydrophobicContact CD2-CG1 4.27Å; F2272-V2289 HydrophobicContact CE1-CG2 3.54Å; F2272-V2289 HydrophobicContact CE2-CG1 4.47Å; F2272-V2289 HydrophobicContact CE2-CG2 4.32Å; F2272-V2289 HydrophobicContact CG-CG1 4.25Å; F2272-V2289 HydrophobicContact CG-CG2 4.43Å; F2272-V2289 HydrophobicContact CZ-CG2 3.77Å; F2272-L2296 HydrophobicContact CB-CD2 4.09Å; F2272-L2296 HydrophobicContact CD1-CD2 4.16Å; F2272-K2298 HydrophobicContact CD1-CD 4.47Å | ||
| 2273 | N | 85.1 | Confident | 86.1 | Confident | 117 Ų | 117 | 60 Ų | 60 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 31.3 | 173.2 | -53.5 | 11.5 | 0 | 0 | 0 | 113.1 | D2271 I2275 K2298 | D2271-N2273 PolarHBondContact OD1-N 2.79Å; N2273-I2275 VanDerWaalsContact C-N 3.32Å; N2273-I2275 PolarHBondContact O-N 3.14Å; N2273-K2298 PolarHBondContact OD1-NZ 3.47Å |
| 2274 | G | 82.7 | Confident | 86.4 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 67% | 0.67 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 8.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F2272 | F2272-G2274 VanDerWaalsContact C-N 3.27Å; F2272-G2274 PolarHBondContact O-N 2.89Å |
| 2275 | I | 87.6 | Confident | 87.1 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | trans | -74.2 | 123.7 | 171.4 | -65.4 | 175.3 | 0 | 0 | 0 | 109.5 | F2272 N2273 V2277 H2291 L2296 | F2272-I2275 VanDerWaalsContact O-CB 3.3Å; F2272-I2275 WeakPolarHBondContact O-CB 3.18Å; F2272-I2275 WeakPolarHBondContact O-CG1 3.41Å; F2272-I2275 PolarHBondContact O-N 3.43Å; F2272-I2275 VanDerWaalsContact O-N 3.11Å; N2273-I2275 VanDerWaalsContact C-N 3.32Å; N2273-I2275 PolarHBondContact O-N 3.14Å; I2275-V2277 PolarHBondContact O-N 3.25Å; I2275-H2291 HydrophobicContact CG2-CB 3.3Å; I2275-L2296 HydrophobicContact CD1-CD1 4.2Å; I2275-L2296 HydrophobicContact CD1-CD2 4.24Å | ||
| 2276 | T | 91 | Very high | 87.9 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | trans | -69.1 | 115.5 | 174.4 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | L2248 H2291 | L2248-T2276 HydrophobicContact CD2-CG2 4.26Å; L2248-T2276 CarbonylContact O-C 3.51Å; L2248-T2276 VanDerWaalsContact O-CA 3.31Å; L2248-T2276 WeakPolarHBondContact O-CA 3.45Å; T2276-H2291 VanDerWaalsContact O-CB 3.28Å; T2276-H2291 WeakPolarHBondContact O-CB 3.25Å | ||
| 2277 | V | 92.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | trans | -81 | 127.5 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | V2233 L2248 F2272 I2275 I2280 V2289 | V2233-V2277 HydrophobicContact CG1-CG1 4.33Å; L2248-V2277 PolarHBondContact O-N 2.83Å; F2272-V2277 HydrophobicContact CB-CG2 4.45Å; F2272-V2277 HydrophobicContact CD2-CG2 3.41Å; F2272-V2277 VanDerWaalsContact CD2-CG2 3.41Å; F2272-V2277 HydrophobicContact CE2-CG2 3.93Å; F2272-V2277 HydrophobicContact CG-CG2 4.19Å; I2275-V2277 PolarHBondContact O-N 3.25Å; V2277-I2280 HydrophobicContact CG1-CG2 3.86Å; V2277-V2289 HydrophobicContact CB-CG1 4.06Å; V2277-V2289 HydrophobicContact CG1-CG1 3.66Å; V2277-V2289 HydrophobicContact CG2-CG1 3.39Å | ||
| 2278 | E | 91.6 | Very high | 89.3 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -94.6 | -33.3 | 168.4 | -65.7 | -157.5 | 156 | 0 | 0 | 113 | V2233 F2290 P2292 | V2233-E2278 VanDerWaalsContact CG1-O 3.28Å; V2233-E2278 WeakPolarHBondContact CG1-O 3.43Å; E2278-F2290 PolarHBondContact N-O 2.82Å; E2278-P2292 HydrophobicContact CG-CG 4.2Å |
| 2279 | S | 92.5 | Very high | 89.8 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 165 | -177.9 | 51 | 0 | 0 | 0 | 0 | 111.9 | F2290 L2317 | S2279-F2290 PolarHBondContact N-O 2.76Å; S2279-F2290 PolarHBondContact O-N 3.29Å; S2279-L2317 WeakPolarHBondContact OG-CB 3.3Å |
| 2280 | I | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 161 | -179.3 | 57.7 | 165.8 | 0 | 0 | 0 | 112.7 | E2234 V2236 L2244 C2246 V2277 I2287 L2288 V2289 | E2234-I2280 HydrophobicContact CB-CD1 4.23Å; E2234-I2280 HydrophobicContact CB-CG1 4.01Å; E2234-I2280 HydrophobicContact CG-CG1 4.38Å; E2234-I2280 VanDerWaalsContact OE2-CG1 3.28Å; E2234-I2280 WeakPolarHBondContact OE2-CG1 3.33Å; V2236-I2280 HydrophobicContact CG2-CD1 3.72Å; V2236-I2280 HydrophobicContact CG2-CG1 4.42Å; L2244-I2280 HydrophobicContact CD2-CD1 3.57Å; C2246-I2280 HydrophobicContact CB-CD1 3.87Å; C2246-I2280 HydrophobicContact CB-CG2 4.43Å; V2277-I2280 HydrophobicContact CG1-CG2 3.86Å; I2280-I2287 HydrophobicContact CB-CD1 3.99Å; I2280-I2287 HydrophobicContact CB-CG1 4.16Å; I2280-I2287 HydrophobicContact CD1-CD1 3.85Å; I2280-I2287 HydrophobicContact CG2-CD1 3.92Å; I2280-I2287 HydrophobicContact CG2-CG1 4.35Å; I2280-L2288 CarbonylContact C-O 3.56Å; I2280-L2288 VanDerWaalsContact CA-O 3.29Å; I2280-L2288 WeakPolarHBondContact CA-O 3.3Å; I2280-V2289 HydrophobicContact CG2-CG1 4.47Å; I2280-V2289 HydrophobicContact CG2-CG2 4.24Å |
| 2281 | V | 91.6 | Very high | 90 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 114.2 | 164.9 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | L2283 L2288 F2290 L2317 Y2320 I2324 | V2281-L2283 HydrophobicContact CG1-CD2 4.05Å; V2281-L2288 HydrophobicContact CB-CB 4.32Å; V2281-L2288 PolarHBondContact N-O 3.2Å; V2281-L2288 PolarHBondContact O-N 2.7Å; V2281-F2290 HydrophobicContact CG2-CD2 4.42Å; V2281-F2290 HydrophobicContact CG2-CE2 3.87Å; V2281-L2317 HydrophobicContact CG2-CD1 4.2Å; V2281-L2317 HydrophobicContact CG2-CD2 3.68Å; V2281-Y2320 HydrophobicContact CG1-CD2 4.06Å; V2281-Y2320 HydrophobicContact CG1-CG 4.06Å; V2281-Y2320 HydrophobicContact CG2-CD1 3.84Å; V2281-Y2320 HydrophobicContact CG2-CG 3.8Å; V2281-I2324 HydrophobicContact CG1-CD1 4.06Å; V2281-I2324 HydrophobicContact CG1-CG1 4.44Å; V2281-I2324 HydrophobicContact CG2-CD1 4.49Å |
| 2282 | C | 90 | Very high | 90.1 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.5 | 170.9 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | V2236 L2238 | V2236-C2282 HydrophobicContact CG1-CB 4Å; L2238-C2282 HydrophobicContact CD2-CB 4.5Å |
| 2283 | L | 86.7 | Confident | 90 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | trans | -98.3 | -170 | 172.7 | -54.9 | 178.5 | 0 | 0 | 0 | 109.3 | V2281 S2286 L2288 M2347 | V2281-L2283 HydrophobicContact CG1-CD2 4.05Å; L2283-S2286 WeakPolarHBondContact CA-O 3.4Å; L2283-S2286 WeakPolarHBondContact CB-O 3.48Å; L2283-S2286 WeakPolarHBondContact CD1-OG 3.01Å; L2283-S2286 PolarHBondContact N-O 3.46Å; L2283-L2288 HydrophobicContact CD1-CD1 3.94Å; L2283-L2288 HydrophobicContact CD1-CD2 4.33Å; L2283-L2288 HydrophobicContact CD1-CG 3.77Å; L2283-L2288 HydrophobicContact CG-CG 4.35Å; L2283-M2347 HydrophobicContact CD1-CE 3.69Å; L2283-M2347 HydrophobicContact CD1-SD 4.3Å; L2283-M2347 HydrophobicContact CD2-CE 3.85Å; L2283-M2347 HydrophobicContact CG-CE 4.31Å | ||
| 2284 | R | 83.1 | Confident | 90.2 | Very high | 174 Ų | 174 | 37.3 Ų | 37.3 | 66% | 0.657 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -61 | -52 | -179.1 | -173.8 | 176.6 | -93.3 | 171.6 | 5 | 112 | I2350 | R2284-I2350 PolarHBondContact NH1-O 2.78Å; R2284-I2350 PolarHBondContact NH1-OXT 3.25Å |
| 2285 | D | 83.4 | Confident | 90.7 | Very high | 90 Ų | 90 | 34.2 Ų | 34.2 | 48% | 0.481 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -124.6 | 3.2 | -172.7 | -60.9 | -66.4 | 0 | 0 | 0 | 114 | S2299 F2300 | D2285-S2299 WeakPolarHBondContact O-CA 3.42Å; D2285-F2300 VanDerWaalsContact O-CD2 3.31Å; D2285-F2300 WeakPolarHBondContact O-CD2 2.87Å; D2285-F2300 PolarHBondContact O-N 3.14Å |
| 2286 | S | 89.1 | Confident | 90.9 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 168.6 | -177.6 | 57 | 0 | 0 | 0 | 0 | 112.7 | L2283 K2298 | L2283-S2286 WeakPolarHBondContact CA-O 3.4Å; L2283-S2286 WeakPolarHBondContact CB-O 3.48Å; L2283-S2286 WeakPolarHBondContact CD1-OG 3.01Å; L2283-S2286 PolarHBondContact N-O 3.46Å; S2286-K2298 CarbonylContact C-O 3.58Å; S2286-K2298 VanDerWaalsContact CA-O 3.24Å; S2286-K2298 WeakPolarHBondContact CA-O 3.23Å; S2286-K2298 VanDerWaalsContact CB-O 3.23Å; S2286-K2298 WeakPolarHBondContact CB-O 3.37Å |
| 2287 | I | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.4 | 170.7 | -172.2 | 172.5 | 0 | 0 | 0 | 108.6 | L2244 L2270 F2272 I2280 V2289 G2297 K2298 | L2244-I2287 HydrophobicContact CD2-CD1 3.59Å; L2270-I2287 HydrophobicContact CD1-CG2 3.9Å; F2272-I2287 HydrophobicContact CE1-CG2 4.43Å; F2272-I2287 HydrophobicContact CZ-CD1 4.46Å; I2280-I2287 HydrophobicContact CB-CD1 3.99Å; I2280-I2287 HydrophobicContact CB-CG1 4.16Å; I2280-I2287 HydrophobicContact CD1-CD1 3.85Å; I2280-I2287 HydrophobicContact CG2-CD1 3.92Å; I2280-I2287 HydrophobicContact CG2-CG1 4.35Å; I2287-V2289 HydrophobicContact CD1-CG2 4.37Å; I2287-V2289 HydrophobicContact CG1-CG2 4.13Å; I2287-V2289 HydrophobicContact CG2-CG2 4.22Å; I2287-G2297 WeakPolarHBondContact O-CA 3.21Å; I2287-K2298 HydrophobicContact CG2-CB 4.44Å; I2287-K2298 PolarHBondContact N-O 3.46Å; I2287-K2298 PolarHBondContact O-N 2.67Å |
| 2288 | L | 93 | Very high | 90.8 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.6 | 163.3 | -61.3 | 176.2 | 0 | 0 | 0 | 108.2 | I2280 V2281 L2283 F2290 L2295 I2324 L2343 | I2280-L2288 CarbonylContact C-O 3.56Å; I2280-L2288 VanDerWaalsContact CA-O 3.29Å; I2280-L2288 WeakPolarHBondContact CA-O 3.3Å; V2281-L2288 HydrophobicContact CB-CB 4.32Å; V2281-L2288 PolarHBondContact N-O 3.2Å; V2281-L2288 PolarHBondContact O-N 2.7Å; L2283-L2288 HydrophobicContact CD1-CD1 3.94Å; L2283-L2288 HydrophobicContact CD1-CD2 4.33Å; L2283-L2288 HydrophobicContact CD1-CG 3.77Å; L2283-L2288 HydrophobicContact CG-CG 4.35Å; L2288-F2290 HydrophobicContact CB-CE2 4.03Å; L2288-L2295 HydrophobicContact CD2-CD1 4.48Å; L2288-I2324 HydrophobicContact CD1-CD1 3.72Å; L2288-L2343 HydrophobicContact CD1-CD2 3.93Å |
| 2289 | V | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114.5 | -176.6 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | F2272 V2277 I2280 I2287 L2295 L2296 | F2272-V2289 HydrophobicContact CD1-CG1 4.47Å; F2272-V2289 HydrophobicContact CD1-CG2 3.88Å; F2272-V2289 HydrophobicContact CD2-CG1 4.27Å; F2272-V2289 HydrophobicContact CE1-CG2 3.54Å; F2272-V2289 HydrophobicContact CE2-CG1 4.47Å; F2272-V2289 HydrophobicContact CE2-CG2 4.32Å; F2272-V2289 HydrophobicContact CG-CG1 4.25Å; F2272-V2289 HydrophobicContact CG-CG2 4.43Å; F2272-V2289 HydrophobicContact CZ-CG2 3.77Å; V2277-V2289 HydrophobicContact CB-CG1 4.06Å; V2277-V2289 HydrophobicContact CG1-CG1 3.66Å; V2277-V2289 HydrophobicContact CG2-CG1 3.39Å; I2280-V2289 HydrophobicContact CG2-CG1 4.47Å; I2280-V2289 HydrophobicContact CG2-CG2 4.24Å; I2287-V2289 HydrophobicContact CD1-CG2 4.37Å; I2287-V2289 HydrophobicContact CG1-CG2 4.13Å; I2287-V2289 HydrophobicContact CG2-CG2 4.22Å; V2289-L2295 CarbonylContact O-C 3.55Å; V2289-L2295 VanDerWaalsContact O-CA 3.31Å; V2289-L2295 WeakPolarHBondContact O-CA 3.14Å; V2289-L2296 HydrophobicContact CB-CB 4.28Å; V2289-L2296 WeakPolarHBondContact CB-O 3.31Å; V2289-L2296 PolarHBondContact N-O 2.78Å; V2289-L2296 PolarHBondContact O-N 2.92Å |
| 2290 | F | 94.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.2 | 179.3 | -71.4 | -90.8 | 0 | 0 | 0 | 109.7 | E2278 S2279 V2281 L2288 L2295 L2317 I2324 V2326 | E2278-F2290 PolarHBondContact N-O 2.82Å; S2279-F2290 PolarHBondContact N-O 2.76Å; S2279-F2290 PolarHBondContact O-N 3.29Å; V2281-F2290 HydrophobicContact CG2-CD2 4.42Å; V2281-F2290 HydrophobicContact CG2-CE2 3.87Å; L2288-F2290 HydrophobicContact CB-CE2 4.03Å; F2290-L2295 HydrophobicContact CD1-CB 3.95Å; F2290-L2295 HydrophobicContact CE1-CB 3.88Å; F2290-L2295 HydrophobicContact CE1-CD2 3.68Å; F2290-L2295 HydrophobicContact CE1-CG 4.44Å; F2290-L2295 HydrophobicContact CG-CB 4.5Å; F2290-L2295 HydrophobicContact CZ-CB 4.36Å; F2290-L2295 HydrophobicContact CZ-CD2 3.89Å; F2290-L2317 HydrophobicContact CB-CB 4.45Å; F2290-L2317 HydrophobicContact CD2-CB 4.32Å; F2290-L2317 HydrophobicContact CD2-CD1 4.22Å; F2290-L2317 HydrophobicContact CD2-CD2 4Å; F2290-L2317 HydrophobicContact CD2-CG 4.42Å; F2290-L2317 HydrophobicContact CE2-CD1 3.95Å; F2290-L2317 HydrophobicContact CE2-CD2 4.33Å; F2290-L2317 HydrophobicContact CG-CB 4.2Å; F2290-L2317 HydrophobicContact CZ-CD1 4.15Å; F2290-I2324 HydrophobicContact CE2-CG2 4.4Å; F2290-I2324 HydrophobicContact CZ-CG2 3.91Å; F2290-V2326 HydrophobicContact CD1-CG2 4.48Å; F2290-V2326 HydrophobicContact CE1-CG2 3.71Å; F2290-V2326 HydrophobicContact CZ-CG2 4.16Å |
| 2291 | H | 92.7 | Very high | 90.1 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 165.6 | 178.7 | 63.6 | 102 | 0 | 0 | 0 | 108.5 | I2275 T2276 H2293 G2294 L2295 | I2275-H2291 HydrophobicContact CG2-CB 3.3Å; T2276-H2291 VanDerWaalsContact O-CB 3.28Å; T2276-H2291 WeakPolarHBondContact O-CB 3.25Å; H2291-H2293 PolarHBondContact CE1-O 2.96Å; H2291-H2293 PolarHBondContact ND1-N 3.29Å; H2291-H2293 PolarHBondContact O-N 2.85Å; H2291-G2294 VanDerWaalsContact CD2-C 3.47Å; H2291-G2294 PolarHBondContact CD2-O 2.9Å; H2291-G2294 PolarHBondContact CE1-N 3.17Å; H2291-G2294 PolarHBondContact N-O 3.27Å; H2291-G2294 VanDerWaalsContact N-O 3.14Å; H2291-G2294 PolarHBondContact O-N 2.85Å; H2291-G2294 VanDerWaalsContact O-O 3.06Å; H2291-L2295 PolarHBondContact NE2-N 3Å |
| 2292 | P | 91.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 30 Ų | 30 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.1 | -173.2 | -28.4 | 35.9 | 0 | 0 | 0 | 113.2 | E2278 I2314 Y2315 | E2278-P2292 HydrophobicContact CG-CG 4.2Å; P2292-I2314 CarbonylContact O-C 3.6Å; P2292-I2314 WeakPolarHBondContact O-CA 3.42Å; P2292-Y2315 PolarHBondContact O-N 3.04Å |
| 2293 | H | 90.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 34.5 Ų | 34.5 | 30% | 0.301 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 25.7 | -177.4 | -63.8 | -52.1 | 0 | 0 | 0 | 114.5 | H2291 N2309 D2310 N2313 | H2291-H2293 PolarHBondContact CE1-O 2.96Å; H2291-H2293 PolarHBondContact ND1-N 3.29Å; H2291-H2293 PolarHBondContact O-N 2.85Å; H2293-N2309 CarbonylContact O-C 3.58Å; H2293-N2309 WeakPolarHBondContact O-CA 3.29Å; H2293-D2310 WeakPolarHBondContact CA-O 3.24Å; H2293-D2310 VanDerWaalsContact CB-O 3.23Å; H2293-D2310 WeakPolarHBondContact CB-O 3.47Å; H2293-D2310 PolarHBondContact ND1-O 2.75Å; H2293-D2310 PolarHBondContact O-N 3.14Å; H2293-N2313 PolarHBondContact ND1-O 2.98Å |
| 2294 | G | 89.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -132.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H2291 I2308 | H2291-G2294 VanDerWaalsContact CD2-C 3.47Å; H2291-G2294 PolarHBondContact CD2-O 2.9Å; H2291-G2294 PolarHBondContact CE1-N 3.17Å; H2291-G2294 PolarHBondContact N-O 3.27Å; H2291-G2294 VanDerWaalsContact N-O 3.14Å; H2291-G2294 PolarHBondContact O-N 2.85Å; H2291-G2294 VanDerWaalsContact O-O 3.06Å; G2294-I2308 WeakPolarHBondContact CA-O 3.35Å |
| 2295 | L | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.5 | -178.6 | 68.1 | 78.9 | 0 | 0 | 0 | 114.1 | F1872 L2288 V2289 F2290 H2291 Q2306 E2307 I2308 L2343 | F1872-L2295 HydrophobicContact CE1-CD2 4.12Å; F1872-L2295 HydrophobicContact CZ-CD2 3.72Å; F1872-L2295 HydrophobicContact CZ-CG 4.4Å; L2288-L2295 HydrophobicContact CD2-CD1 4.48Å; V2289-L2295 CarbonylContact O-C 3.55Å; V2289-L2295 VanDerWaalsContact O-CA 3.31Å; V2289-L2295 WeakPolarHBondContact O-CA 3.14Å; F2290-L2295 HydrophobicContact CD1-CB 3.95Å; F2290-L2295 HydrophobicContact CE1-CB 3.88Å; F2290-L2295 HydrophobicContact CE1-CD2 3.68Å; F2290-L2295 HydrophobicContact CE1-CG 4.44Å; F2290-L2295 HydrophobicContact CG-CB 4.5Å; F2290-L2295 HydrophobicContact CZ-CB 4.36Å; F2290-L2295 HydrophobicContact CZ-CD2 3.89Å; H2291-L2295 PolarHBondContact NE2-N 3Å; L2295-Q2306 HydrophobicContact CD1-CG 4.13Å; L2295-E2307 CarbonylContact O-C 3.59Å; L2295-E2307 WeakPolarHBondContact O-CA 3.31Å; L2295-I2308 HydrophobicContact CD1-CD1 4.24Å; L2295-I2308 HydrophobicContact CD1-CG1 4.11Å; L2295-I2308 HydrophobicContact CD2-CD1 4.27Å; L2295-I2308 HydrophobicContact CG-CB 4.28Å; L2295-I2308 HydrophobicContact CG-CD1 4.12Å; L2295-I2308 HydrophobicContact CG-CG1 4.22Å; L2295-I2308 PolarHBondContact N-O 3.02Å; L2295-I2308 PolarHBondContact O-N 3.01Å; L2295-L2343 HydrophobicContact CD2-CD1 4.2Å; L2295-L2343 HydrophobicContact CD2-CD2 4.46Å |
| 2296 | L | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 112.5 | 176.8 | -176.2 | 85.1 | 0 | 0 | 0 | 108.8 | F2272 I2275 V2289 K2298 L2304 E2307 | F2272-L2296 HydrophobicContact CB-CD2 4.09Å; F2272-L2296 HydrophobicContact CD1-CD2 4.16Å; I2275-L2296 HydrophobicContact CD1-CD1 4.2Å; I2275-L2296 HydrophobicContact CD1-CD2 4.24Å; V2289-L2296 HydrophobicContact CB-CB 4.28Å; V2289-L2296 WeakPolarHBondContact CB-O 3.31Å; V2289-L2296 PolarHBondContact N-O 2.78Å; V2289-L2296 PolarHBondContact O-N 2.92Å; L2296-K2298 HydrophobicContact CD2-CG 4.44Å; L2296-L2304 HydrophobicContact CD1-CD1 3.49Å; L2296-L2304 VanDerWaalsContact CD1-CD1 3.49Å; L2296-L2304 HydrophobicContact CG-CD1 4.19Å; L2296-E2307 HydrophobicContact CD1-CB 4.48Å; L2296-E2307 HydrophobicContact CD1-CG 4.13Å |
| 2297 | G | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | I2287 T2305 Q2306 | I2287-G2297 WeakPolarHBondContact O-CA 3.21Å; G2297-T2305 VanDerWaalsContact C-OG1 3.22Å; G2297-T2305 PolarHBondContact O-N 2.72Å; G2297-T2305 PolarHBondContact O-OG1 3.04Å; G2297-T2305 VanDerWaalsContact O-OG1 3.14Å; G2297-Q2306 PolarHBondContact N-O 3.31Å; G2297-Q2306 PolarHBondContact O-N 2.78Å |
| 2298 | K | 90.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.3 | 168.9 | -72.1 | -166.3 | 175.3 | -173.5 | 0 | 111.5 | D2271 F2272 N2273 S2286 I2287 L2296 E2303 L2304 | D2271-K2298 PolarHBondContact O-NZ 3.29Å; F2272-K2298 HydrophobicContact CD1-CD 4.47Å; N2273-K2298 PolarHBondContact OD1-NZ 3.47Å; S2286-K2298 CarbonylContact C-O 3.58Å; S2286-K2298 VanDerWaalsContact CA-O 3.24Å; S2286-K2298 WeakPolarHBondContact CA-O 3.23Å; S2286-K2298 VanDerWaalsContact CB-O 3.23Å; S2286-K2298 WeakPolarHBondContact CB-O 3.37Å; I2287-K2298 HydrophobicContact CG2-CB 4.44Å; I2287-K2298 PolarHBondContact N-O 3.46Å; I2287-K2298 PolarHBondContact O-N 2.67Å; L2296-K2298 HydrophobicContact CD2-CG 4.44Å; K2298-E2303 CarbonylContact C-O 3.59Å; K2298-E2303 WeakPolarHBondContact CA-O 3.38Å; K2298-L2304 HydrophobicContact CG-CD1 4.44Å |
| 2299 | S | 89.8 | Confident | 89.2 | Confident | 14 Ų | 14 | 39 Ų | 39 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 162.5 | 168.7 | 65.4 | 0 | 0 | 0 | 0 | 110.9 | D2285 T2301 G2302 E2303 | D2285-S2299 WeakPolarHBondContact O-CA 3.42Å; S2299-T2301 WeakPolarHBondContact CB-OG1 3.4Å; S2299-T2301 PolarHBondContact O-N 2.92Å; S2299-T2301 PolarHBondContact OG-N 3.32Å; S2299-T2301 PolarHBondContact OG-OG1 2.78Å; S2299-G2302 PolarHBondContact O-N 3.44Å; S2299-G2302 PolarHBondContact OG-N 2.96Å; S2299-E2303 PolarHBondContact N-O 3.49Å; S2299-E2303 WeakPolarHBondContact OG-CB 2.97Å; S2299-E2303 PolarHBondContact OG-N 3.21Å; S2299-E2303 PolarHBondContact OG-O 2.83Å |
| 2300 | F | 88.6 | Confident | 89 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.044 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11.9 | 170.2 | -69.2 | -63.9 | 0 | 0 | 0 | 113.7 | L2238 R2266 A2267 L2270 D2285 G2302 | L2238-F2300 HydrophobicContact CD1-CE1 4.08Å; L2238-F2300 HydrophobicContact CD2-CE1 4.01Å; L2238-F2300 HydrophobicContact CD2-CZ 3.81Å; R2266-F2300 CarbonylContact C-O 3.53Å; R2266-F2300 VanDerWaalsContact CA-O 3.26Å; R2266-F2300 WeakPolarHBondContact CA-O 3.22Å; R2266-F2300 HydrophobicContact CB-CB 4.31Å; R2266-F2300 HydrophobicContact CG-CB 3.79Å; A2267-F2300 PolarHBondContact N-O 3.4Å; L2270-F2300 HydrophobicContact CD1-CD1 4.16Å; D2285-F2300 VanDerWaalsContact O-CD2 3.31Å; D2285-F2300 WeakPolarHBondContact O-CD2 2.87Å; D2285-F2300 PolarHBondContact O-N 3.14Å; F2300-G2302 VanDerWaalsContact C-N 3.32Å |
| 2301 | T | 86.3 | Confident | 88.7 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 47% | 0.466 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.8 | 166.9 | 43.9 | 0 | 0 | 0 | 0 | 113 | S2299 E2303 | S2299-T2301 WeakPolarHBondContact CB-OG1 3.4Å; S2299-T2301 PolarHBondContact O-N 2.92Å; S2299-T2301 PolarHBondContact OG-N 3.32Å; S2299-T2301 PolarHBondContact OG-OG1 2.78Å; T2301-E2303 PolarHBondContact OG1-OE2 2.83Å |
| 2302 | G | 83.7 | Confident | 88.6 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 99 | 2.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S2299 F2300 | S2299-G2302 PolarHBondContact O-N 3.44Å; S2299-G2302 PolarHBondContact OG-N 2.96Å; F2300-G2302 VanDerWaalsContact C-N 3.32Å |
| 2303 | E | 87.1 | Confident | 88.5 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 60% | 0.598 | 28% | 0.281 | S | S | * | . | trans | -78.2 | 145.6 | 179.7 | -62.5 | 161.4 | 126.6 | 0 | 0 | 110.4 | K2298 S2299 T2301 T2305 | K2298-E2303 CarbonylContact C-O 3.59Å; K2298-E2303 WeakPolarHBondContact CA-O 3.38Å; S2299-E2303 PolarHBondContact N-O 3.49Å; S2299-E2303 WeakPolarHBondContact OG-CB 2.97Å; S2299-E2303 PolarHBondContact OG-N 3.21Å; S2299-E2303 PolarHBondContact OG-O 2.83Å; T2301-E2303 PolarHBondContact OG1-OE2 2.83Å; E2303-T2305 PolarHBondContact O-N 3.36Å | ||
| 2304 | L | 88 | Confident | 88.5 | Confident | 98 Ų | 98 | 54 Ų | 54 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 119.8 | 178.7 | -174 | 70.9 | 0 | 0 | 0 | 110.1 | L2296 K2298 E2307 | L2296-L2304 HydrophobicContact CD1-CD1 3.49Å; L2296-L2304 VanDerWaalsContact CD1-CD1 3.49Å; L2296-L2304 HydrophobicContact CG-CD1 4.19Å; K2298-L2304 HydrophobicContact CG-CD1 4.44Å; L2304-E2307 HydrophobicContact CD1-CB 4.47Å |
| 2305 | T | 85.5 | Confident | 88.6 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -31.8 | 178.6 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | G2297 E2303 | G2297-T2305 VanDerWaalsContact C-OG1 3.22Å; G2297-T2305 PolarHBondContact O-N 2.72Å; G2297-T2305 PolarHBondContact O-OG1 3.04Å; G2297-T2305 VanDerWaalsContact O-OG1 3.14Å; E2303-T2305 PolarHBondContact O-N 3.36Å |
| 2306 | Q | 85.1 | Confident | 88.6 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 151 | 174.3 | -175.4 | 165.6 | -6.3 | 0 | 0 | 110.2 | A1870 L2295 G2297 | A1870-Q2306 VanDerWaalsContact N-OE1 3.12Å; A1870-Q2306 PolarHBondContact O-NE2 2.64Å; L2295-Q2306 HydrophobicContact CD1-CG 4.13Å; G2297-Q2306 PolarHBondContact N-O 3.31Å; G2297-Q2306 PolarHBondContact O-N 2.78Å |
| 2307 | E | 88 | Confident | 88.6 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.7 | 165.4 | -171 | 178.6 | 162.8 | 0 | 0 | 108.5 | L2295 L2296 L2304 N2309 | L2295-E2307 CarbonylContact O-C 3.59Å; L2295-E2307 WeakPolarHBondContact O-CA 3.31Å; L2296-E2307 HydrophobicContact CD1-CB 4.48Å; L2296-E2307 HydrophobicContact CD1-CG 4.13Å; L2304-E2307 HydrophobicContact CD1-CB 4.47Å; E2307-N2309 HydrophobicContact CG-CB 4.37Å; E2307-N2309 PolarHBondContact OE1-ND2 3.27Å |
| 2308 | I | 85.5 | Confident | 88.6 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.8 | 164.2 | -52.4 | 177.5 | 0 | 0 | 0 | 106.4 | F1872 G2294 L2295 | F1872-I2308 HydrophobicContact CD2-CD1 3.95Å; F1872-I2308 HydrophobicContact CE2-CD1 3.5Å; F1872-I2308 HydrophobicContact CE2-CG2 4.16Å; F1872-I2308 HydrophobicContact CZ-CD1 4.13Å; G2294-I2308 WeakPolarHBondContact CA-O 3.35Å; L2295-I2308 HydrophobicContact CD1-CD1 4.24Å; L2295-I2308 HydrophobicContact CD1-CG1 4.11Å; L2295-I2308 HydrophobicContact CD2-CD1 4.27Å; L2295-I2308 HydrophobicContact CG-CB 4.28Å; L2295-I2308 HydrophobicContact CG-CD1 4.12Å; L2295-I2308 HydrophobicContact CG-CG1 4.22Å; L2295-I2308 PolarHBondContact N-O 3.02Å; L2295-I2308 PolarHBondContact O-N 3.01Å |
| 2309 | N | 87.2 | Confident | 88.5 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 92.7 | -172.2 | -161.9 | -27.4 | 0 | 0 | 0 | 108.7 | H2293 E2307 | H2293-N2309 CarbonylContact O-C 3.58Å; H2293-N2309 WeakPolarHBondContact O-CA 3.29Å; E2307-N2309 HydrophobicContact CG-CB 4.37Å; E2307-N2309 PolarHBondContact OE1-ND2 3.27Å |
| 2310 | D | 88.8 | Confident | 88.3 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | trans | -115.8 | 116.1 | -179.1 | 168.1 | 22.7 | 0 | 0 | 0 | 109.6 | H2293 E2312 N2313 Y2315 | H2293-D2310 WeakPolarHBondContact CA-O 3.24Å; H2293-D2310 VanDerWaalsContact CB-O 3.23Å; H2293-D2310 WeakPolarHBondContact CB-O 3.47Å; H2293-D2310 PolarHBondContact ND1-O 2.75Å; H2293-D2310 PolarHBondContact O-N 3.14Å; D2310-E2312 WeakPolarHBondContact OD1-CB 3.27Å; D2310-E2312 PolarHBondContact OD1-N 3.31Å; D2310-N2313 WeakPolarHBondContact OD2-CB 3.13Å; D2310-N2313 PolarHBondContact OD2-ND2 3.5Å; D2310-Y2315 HydrophobicContact CB-CE2 3.97Å; D2310-Y2315 PolarHBondContact OD2-OH 3.41Å | ||
| 2311 | K | 89.1 | Confident | 87.7 | Confident | 159 Ų | 159 | 68.6 Ų | 68.6 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -88.5 | -12.6 | -177.7 | -61.1 | -178.6 | -178.5 | -179.6 | 0 | 113.4 | N2313 | K2311-N2313 VanDerWaalsContact C-N 3.32Š|
| 2312 | E | 89.3 | Confident | 87.4 | Confident | 156 Ų | 156 | 72.6 Ų | 72.6 | 73% | 0.729 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -78.6 | -22.5 | 179.2 | -58.5 | -174.5 | 179.3 | 0 | 0 | 111.2 | D2310 P2330 A2331 | D2310-E2312 WeakPolarHBondContact OD1-CB 3.27Å; D2310-E2312 PolarHBondContact OD1-N 3.31Å; E2312-P2330 CarbonylContact O-C 3.54Å; E2312-P2330 WeakPolarHBondContact O-CA 3.49Å; E2312-A2331 WeakPolarHBondContact O-CB 3.03Å; E2312-A2331 PolarHBondContact O-N 3.15Å |
| 2313 | N | 90 | Very high | 87.3 | Confident | 29 Ų | 29 | 72.5 Ų | 72.5 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 157.9 | 177.1 | -65 | -81.4 | 0 | 0 | 0 | 113.3 | H2293 D2310 K2311 Y2315 R2329 | H2293-N2313 PolarHBondContact ND1-O 2.98Å; D2310-N2313 WeakPolarHBondContact OD2-CB 3.13Å; D2310-N2313 PolarHBondContact OD2-ND2 3.5Å; K2311-N2313 VanDerWaalsContact C-N 3.32Å; N2313-Y2315 HydrophobicContact CB-CD2 4.21Å; N2313-Y2315 HydrophobicContact CB-CE2 3.65Å; N2313-R2329 CarbonylContact C-O 3.56Å; N2313-R2329 VanDerWaalsContact CA-O 3.29Å; N2313-R2329 WeakPolarHBondContact CA-O 3.44Å |
| 2314 | I | 90.7 | Very high | 87.4 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.8 | 163.3 | -66.6 | 166.1 | 0 | 0 | 0 | 107.8 | P2292 S2328 R2329 A2331 P2334 | P2292-I2314 CarbonylContact O-C 3.6Å; P2292-I2314 WeakPolarHBondContact O-CA 3.42Å; I2314-S2328 CarbonylContact O-C 3.53Å; I2314-S2328 WeakPolarHBondContact O-CA 3.09Å; I2314-R2329 PolarHBondContact N-O 3.11Å; I2314-R2329 PolarHBondContact O-N 2.95Å; I2314-A2331 HydrophobicContact CD1-CB 4.27Å; I2314-A2331 HydrophobicContact CG1-CB 3.9Å; I2314-P2334 HydrophobicContact CD1-CB 4.41Å; I2314-P2334 HydrophobicContact CD1-CG 4.06Å |
| 2315 | Y | 92.1 | Very high | 87.6 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 7% | 0.071 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 141.4 | 178.8 | -70.2 | -94.4 | 0 | 0 | 0 | 111.3 | F1872 P2292 D2310 N2313 V2326 E2327 | F1872-Y2315 HydrophobicContact CD2-CE1 4.43Å; F1872-Y2315 HydrophobicContact CE2-CD1 4.48Å; F1872-Y2315 AromaticContact CE2-CE1 3.96Å; F1872-Y2315 HydrophobicContact CE2-CE1 3.96Å; F1872-Y2315 HydrophobicContact CZ-CD1 4.25Å; F1872-Y2315 HydrophobicContact CZ-CE1 4.17Å; P2292-Y2315 PolarHBondContact O-N 3.04Å; D2310-Y2315 HydrophobicContact CB-CE2 3.97Å; D2310-Y2315 PolarHBondContact OD2-OH 3.41Å; N2313-Y2315 HydrophobicContact CB-CD2 4.21Å; N2313-Y2315 HydrophobicContact CB-CE2 3.65Å; Y2315-V2326 HydrophobicContact CD1-CG1 3.98Å; Y2315-E2327 CarbonylContact C-O 3.48Å; Y2315-E2327 VanDerWaalsContact CA-O 3.31Å; Y2315-E2327 WeakPolarHBondContact CA-O 3.22Å |
| 2316 | R | 91.8 | Very high | 87.9 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 28% | 0.275 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 128.9 | 176.9 | -174.4 | 173.8 | 66.8 | 105.4 | -2.4 | 111.6 | I1883 V2326 E2327 | I1883-R2316 PolarHBondContact O-NH1 2.73Å; I1883-R2316 PolarHBondContact O-NH2 2.84Å; R2316-V2326 WeakPolarHBondContact O-CA 3.39Å; R2316-E2327 HydrophobicContact CB-CG 3.86Å; R2316-E2327 IonicContact CZ-OE1 2.74Å; R2316-E2327 IonicContact CZ-OE2 3.69Å; R2316-E2327 PolarHBondContact N-O 2.87Å; R2316-E2327 IonicContact NE-OE1 3.63Å; R2316-E2327 PolarHBondContact NE-OE1 3.42Å; R2316-E2327 IonicContact NE-OE2 3.35Å; R2316-E2327 IonicContact NH2-OE1 2.73Å; R2316-E2327 PolarHBondContact NH2-OE1 2.73Å; R2316-E2327 IonicContact NH2-OE2 3.49Å; R2316-E2327 PolarHBondContact NH2-OE2 3.28Å; R2316-E2327 PolarHBondContact O-N 3.16Å |
| 2317 | L | 93.1 | Very high | 88.2 | Confident | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.5 | 175.2 | -175 | 64.3 | 0 | 0 | 0 | 110.5 | S2279 V2281 F2290 Y2320 I2324 V2326 | S2279-L2317 WeakPolarHBondContact OG-CB 3.3Å; V2281-L2317 HydrophobicContact CG2-CD1 4.2Å; V2281-L2317 HydrophobicContact CG2-CD2 3.68Å; F2290-L2317 HydrophobicContact CB-CB 4.45Å; F2290-L2317 HydrophobicContact CD2-CB 4.32Å; F2290-L2317 HydrophobicContact CD2-CD1 4.22Å; F2290-L2317 HydrophobicContact CD2-CD2 4Å; F2290-L2317 HydrophobicContact CD2-CG 4.42Å; F2290-L2317 HydrophobicContact CE2-CD1 3.95Å; F2290-L2317 HydrophobicContact CE2-CD2 4.33Å; F2290-L2317 HydrophobicContact CG-CB 4.2Å; F2290-L2317 HydrophobicContact CZ-CD1 4.15Å; L2317-Y2320 HydrophobicContact CD2-CD1 3.96Å; L2317-I2324 HydrophobicContact CD1-CG2 3.74Å; L2317-V2326 HydrophobicContact CD1-CG2 4.25Å |
| 2318 | L | 90.5 | Very high | 88.4 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -17.6 | -178.6 | -68.8 | -176.7 | 0 | 0 | 0 | 113.8 | I1883 T1886 I2325 E2327 V2340 | I1883-L2318 HydrophobicContact CB-CD1 4.36Å; I1883-L2318 HydrophobicContact CB-CD2 4.04Å; I1883-L2318 HydrophobicContact CD1-CD1 3.65Å; I1883-L2318 HydrophobicContact CG2-CD1 4.1Å; I1883-L2318 HydrophobicContact CG2-CD2 3.86Å; I1883-L2318 HydrophobicContact CG2-CG 4.49Å; T1886-L2318 HydrophobicContact CG2-CB 3.74Å; T1886-L2318 HydrophobicContact CG2-CD1 4.33Å; T1886-L2318 PolarHBondContact N-O 3.22Å; T1886-L2318 PolarHBondContact OG1-O 2.8Å; L2318-I2325 HydrophobicContact CB-CB 4.34Å; L2318-I2325 HydrophobicContact CB-CG2 4.08Å; L2318-I2325 WeakPolarHBondContact CB-O 3.47Å; L2318-I2325 HydrophobicContact CD1-CG2 4.18Å; L2318-I2325 PolarHBondContact N-O 2.65Å; L2318-E2327 HydrophobicContact CD1-CB 3.84Å; L2318-E2327 HydrophobicContact CD1-CG 4.17Å; L2318-E2327 HydrophobicContact CD2-CG 4.01Å; L2318-E2327 HydrophobicContact CG-CB 4.25Å; L2318-E2327 HydrophobicContact CG-CG 4.09Å; L2318-V2340 HydrophobicContact CD1-CG1 4.43Å |
| 2319 | G | 87.2 | Confident | 88.6 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | 154.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I2325 | G2319-I2325 PolarHBondContact N-O 3.25Å; G2319-I2325 PolarHBondContact O-N 2.98Å |
| 2320 | Y | 87.3 | Confident | 88.7 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | trans | -136.4 | 14.5 | -169.6 | 59.1 | -100.2 | 0 | 0 | 0 | 115.3 | E2234 V2281 L2317 R2322 | E2234-Y2320 PolarHBondContact OE1-OH 3.32Å; V2281-Y2320 HydrophobicContact CG1-CD2 4.06Å; V2281-Y2320 HydrophobicContact CG1-CG 4.06Å; V2281-Y2320 HydrophobicContact CG2-CD1 3.84Å; V2281-Y2320 HydrophobicContact CG2-CG 3.8Å; L2317-Y2320 HydrophobicContact CD2-CD1 3.96Å; Y2320-R2322 VanDerWaalsContact C-N 3.26Å; Y2320-R2322 PolarHBondContact O-N 2.83Å; Y2320-R2322 VanDerWaalsContact O-N 3.08Å | ||
| 2321 | N | 75.1 | Confident | 88.7 | Confident | 116 Ų | 116 | 50.5 Ų | 50.5 | 62% | 0.62 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -63.3 | -17.7 | -168.4 | -105.3 | -56.7 | 0 | 0 | 0 | 116.9 | ||
| 2322 | R | 79.2 | Confident | 88.6 | Confident | 159 Ų | 159 | 50 Ų | 50 | 60% | 0.6 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -158.7 | -44.1 | 175.6 | -68.6 | -172.3 | 171.7 | 167.5 | -8.8 | 111.4 | T1888 Y2320 | T1888-R2322 HydrophobicContact CG2-CB 4.5Å; T1888-R2322 WeakPolarHBondContact OG1-CB 3.15Å; T1888-R2322 WeakPolarHBondContact OG1-CD 3.26Å; Y2320-R2322 VanDerWaalsContact C-N 3.26Å; Y2320-R2322 PolarHBondContact O-N 2.83Å; Y2320-R2322 VanDerWaalsContact O-N 3.08Å |
| 2323 | N | 83.2 | Confident | 88.4 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -113.6 | 139.1 | 170.9 | -51.1 | 22.9 | 0 | 0 | 0 | 105.1 | T1888 Q1897 I2342 | T1888-N2323 HydrophobicContact CG2-CB 3.93Å; Q1897-N2323 PolarHBondContact OE1-ND2 2.77Å; Q1897-N2323 VanDerWaalsContact OE1-ND2 3.17Å; N2323-I2342 HydrophobicContact CB-CG2 4.09Å |
| 2324 | I | 89.2 | Confident | 87.7 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119.9 | 170.8 | -61.6 | 173.4 | 0 | 0 | 0 | 107.2 | V2281 L2288 F2290 L2317 V2326 I2342 L2343 | V2281-I2324 HydrophobicContact CG1-CD1 4.06Å; V2281-I2324 HydrophobicContact CG1-CG1 4.44Å; V2281-I2324 HydrophobicContact CG2-CD1 4.49Å; L2288-I2324 HydrophobicContact CD1-CD1 3.72Å; F2290-I2324 HydrophobicContact CE2-CG2 4.4Å; F2290-I2324 HydrophobicContact CZ-CG2 3.91Å; L2317-I2324 HydrophobicContact CD1-CG2 3.74Å; I2324-V2326 HydrophobicContact CG2-CG2 4.08Å; I2324-I2342 CarbonylContact O-C 3.56Å; I2324-I2342 WeakPolarHBondContact O-CA 3.29Å; I2324-L2343 HydrophobicContact CB-CB 3.88Å; I2324-L2343 HydrophobicContact CD1-CD2 4.09Å; I2324-L2343 HydrophobicContact CG2-CB 4.15Å; I2324-L2343 PolarHBondContact O-N 3.05Å |
| 2325 | I | 90.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.8 | -176.8 | -55.5 | 167.2 | 0 | 0 | 0 | 108.1 | T1888 I1899 L2318 G2319 V2340 Y2341 | T1888-I2325 HydrophobicContact CG2-CD1 4.15Å; I1899-I2325 HydrophobicContact CD1-CD1 3.78Å; I1899-I2325 HydrophobicContact CD1-CG1 4.06Å; I1899-I2325 HydrophobicContact CG1-CD1 3.89Å; I1899-I2325 HydrophobicContact CG2-CD1 3.94Å; L2318-I2325 HydrophobicContact CB-CB 4.34Å; L2318-I2325 HydrophobicContact CB-CG2 4.08Å; L2318-I2325 WeakPolarHBondContact CB-O 3.47Å; L2318-I2325 HydrophobicContact CD1-CG2 4.18Å; L2318-I2325 PolarHBondContact N-O 2.65Å; G2319-I2325 PolarHBondContact N-O 3.25Å; G2319-I2325 PolarHBondContact O-N 2.98Å; I2325-V2340 HydrophobicContact CG2-CG1 3.83Å; I2325-Y2341 WeakPolarHBondContact CA-O 3.27Å |
| 2326 | V | 92.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.8 | -173.8 | -176 | 0 | 0 | 0 | 0 | 108.7 | F1872 F2290 Y2315 R2316 L2317 I2324 Y2341 | F1872-V2326 HydrophobicContact CE1-CB 4.37Å; F1872-V2326 HydrophobicContact CE1-CG1 4.41Å; F1872-V2326 HydrophobicContact CE1-CG2 4.18Å; F2290-V2326 HydrophobicContact CD1-CG2 4.48Å; F2290-V2326 HydrophobicContact CE1-CG2 3.71Å; F2290-V2326 HydrophobicContact CZ-CG2 4.16Å; Y2315-V2326 HydrophobicContact CD1-CG1 3.98Å; R2316-V2326 WeakPolarHBondContact O-CA 3.39Å; L2317-V2326 HydrophobicContact CD1-CG2 4.25Å; I2324-V2326 HydrophobicContact CG2-CG2 4.08Å; V2326-Y2341 PolarHBondContact N-O 3.07Å; V2326-Y2341 PolarHBondContact O-N 3.03Å |
| 2327 | E | 92 | Very high | 86.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.023 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 150.2 | 162.7 | 61.8 | 176.5 | -136.7 | 0 | 0 | 111.4 | Y2315 R2316 L2318 R2329 N2339 | Y2315-E2327 CarbonylContact C-O 3.48Å; Y2315-E2327 VanDerWaalsContact CA-O 3.31Å; Y2315-E2327 WeakPolarHBondContact CA-O 3.22Å; R2316-E2327 HydrophobicContact CB-CG 3.86Å; R2316-E2327 IonicContact CZ-OE1 2.74Å; R2316-E2327 IonicContact CZ-OE2 3.69Å; R2316-E2327 PolarHBondContact N-O 2.87Å; R2316-E2327 IonicContact NE-OE1 3.63Å; R2316-E2327 PolarHBondContact NE-OE1 3.42Å; R2316-E2327 IonicContact NE-OE2 3.35Å; R2316-E2327 IonicContact NH2-OE1 2.73Å; R2316-E2327 PolarHBondContact NH2-OE1 2.73Å; R2316-E2327 IonicContact NH2-OE2 3.49Å; R2316-E2327 PolarHBondContact NH2-OE2 3.28Å; R2316-E2327 PolarHBondContact O-N 3.16Å; L2318-E2327 HydrophobicContact CD1-CB 3.84Å; L2318-E2327 HydrophobicContact CD1-CG 4.17Å; L2318-E2327 HydrophobicContact CD2-CG 4.01Å; L2318-E2327 HydrophobicContact CG-CB 4.25Å; L2318-E2327 HydrophobicContact CG-CG 4.09Å; E2327-R2329 IonicContact OE1-CZ 3.07Å; E2327-R2329 IonicContact OE1-NE 2.67Å; E2327-R2329 PolarHBondContact OE1-NE 3.14Å; E2327-R2329 VanDerWaalsContact OE1-NE 3.17Å; E2327-R2329 IonicContact OE1-NH2 3.17Å; E2327-R2329 PolarHBondContact OE1-NH2 2.71Å; E2327-R2329 VanDerWaalsContact OE1-NH2 3.07Å; E2327-R2329 IonicContact OE2-NH2 3.56Å; E2327-N2339 CarbonylContact C-O 3.49Å; E2327-N2339 WeakPolarHBondContact CA-O 3.23Å |
| 2328 | S | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.7 | 160.7 | 89 | 0 | 0 | 0 | 0 | 112.4 | I2314 S2338 N2339 Y2341 | I2314-S2328 CarbonylContact O-C 3.53Å; I2314-S2328 WeakPolarHBondContact O-CA 3.09Å; S2328-S2338 CarbonylContact O-C 3.59Å; S2328-S2338 WeakPolarHBondContact O-CA 3.1Å; S2328-N2339 PolarHBondContact N-O 3.22Å; S2328-N2339 PolarHBondContact O-N 2.91Å; S2328-Y2341 WeakPolarHBondContact OG-CE2 3.29Å |
| 2329 | R | 89.5 | Confident | 86 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 142.5 | 175 | -54 | 174.4 | -169.8 | -124.1 | -15.6 | 109.1 | N2313 I2314 E2327 A2331 P2334 S2338 | N2313-R2329 CarbonylContact C-O 3.56Å; N2313-R2329 VanDerWaalsContact CA-O 3.29Å; N2313-R2329 WeakPolarHBondContact CA-O 3.44Å; I2314-R2329 PolarHBondContact N-O 3.11Å; I2314-R2329 PolarHBondContact O-N 2.95Å; E2327-R2329 IonicContact OE1-CZ 3.07Å; E2327-R2329 IonicContact OE1-NE 2.67Å; E2327-R2329 PolarHBondContact OE1-NE 3.14Å; E2327-R2329 VanDerWaalsContact OE1-NE 3.17Å; E2327-R2329 IonicContact OE1-NH2 3.17Å; E2327-R2329 PolarHBondContact OE1-NH2 2.71Å; E2327-R2329 VanDerWaalsContact OE1-NH2 3.07Å; E2327-R2329 IonicContact OE2-NH2 3.56Å; R2329-A2331 PolarHBondContact O-N 2.7Å; R2329-P2334 VanDerWaalsContact CD-O 3.25Å; R2329-P2334 WeakPolarHBondContact CD-O 3.39Å; R2329-P2334 PolarHBondContact NH1-O 3.3Å; R2329-S2338 PolarHBondContact NE-OG 2.94Å; R2329-S2338 VanDerWaalsContact NE-OG 3.17Å; R2329-S2338 PolarHBondContact NH2-OG 3.34Å |
| 2330 | P | 89.3 | Confident | 86.1 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.6 | 126.8 | 167.7 | -31.8 | 34.5 | 0 | 0 | 0 | 113.4 | E2312 N2332 N2333 S2336 | E2312-P2330 CarbonylContact O-C 3.54Å; E2312-P2330 WeakPolarHBondContact O-CA 3.49Å; P2330-N2332 VanDerWaalsContact C-N 3.26Å; P2330-N2332 VanDerWaalsContact CB-OD1 3.24Å; P2330-N2332 WeakPolarHBondContact CB-OD1 3.4Å; P2330-N2332 PolarHBondContact O-N 2.61Å; P2330-N2333 CarbonylContact O-C 3.49Å; P2330-N2333 PolarHBondContact O-N 3.42Å; P2330-S2336 WeakPolarHBondContact CD-OG 3.45Å |
| 2331 | A | 88.6 | Confident | 86.1 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | E2312 I2314 R2329 N2333 | E2312-A2331 WeakPolarHBondContact O-CB 3.03Å; E2312-A2331 PolarHBondContact O-N 3.15Å; I2314-A2331 HydrophobicContact CD1-CB 4.27Å; I2314-A2331 HydrophobicContact CG1-CB 3.9Å; R2329-A2331 PolarHBondContact O-N 2.7Å; A2331-N2333 VanDerWaalsContact C-N 3.26Å; A2331-N2333 PolarHBondContact O-N 3.47Å |
| 2332 | N | 88.4 | Confident | 86.7 | Confident | 148 Ų | 148 | 46.7 Ų | 46.7 | 79% | 0.791 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -13.9 | 172.5 | 63.7 | -2.4 | 0 | 0 | 0 | 113.7 | P2330 | P2330-N2332 VanDerWaalsContact C-N 3.26Å; P2330-N2332 VanDerWaalsContact CB-OD1 3.24Å; P2330-N2332 WeakPolarHBondContact CB-OD1 3.4Å; P2330-N2332 PolarHBondContact O-N 2.61Å |
| 2333 | N | 85 | Confident | 86.7 | Confident | 81 Ų | 81 | 39.3 Ų | 39.3 | 43% | 0.433 | 21% | 0.213 | S | C | . | . | trans | -143.5 | 79.8 | 176.9 | -174.6 | -3 | 0 | 0 | 0 | 111.6 | P2330 A2331 M2335 S2336 | P2330-N2333 CarbonylContact O-C 3.49Å; P2330-N2333 PolarHBondContact O-N 3.42Å; A2331-N2333 VanDerWaalsContact C-N 3.26Å; A2331-N2333 PolarHBondContact O-N 3.47Å; N2333-M2335 PolarHBondContact O-N 2.89Å; N2333-M2335 PolarHBondContact OD1-N 3.41Å; N2333-S2336 VanDerWaalsContact O-CB 3.25Å; N2333-S2336 WeakPolarHBondContact O-CB 3.36Å; N2333-S2336 PolarHBondContact O-N 2.84Å; N2333-S2336 PolarHBondContact O-OG 3.39Å; N2333-S2336 PolarHBondContact OD1-N 3.27Å | ||
| 2334 | P | 74.7 | Confident | 85.6 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15 | 179.7 | -23.8 | 34.8 | 0 | 0 | 0 | 114.9 | I2314 R2329 | I2314-P2334 HydrophobicContact CD1-CB 4.41Å; I2314-P2334 HydrophobicContact CD1-CG 4.06Å; R2329-P2334 VanDerWaalsContact CD-O 3.25Å; R2329-P2334 WeakPolarHBondContact CD-O 3.39Å; R2329-P2334 PolarHBondContact NH1-O 3.3Å |
| 2335 | M | 77.1 | Confident | 83.8 | Confident | 166 Ų | 166 | 43.7 Ų | 43.7 | 82% | 0.818 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.3 | 177.5 | -67.4 | -61.7 | -65.9 | 0 | 0 | 113.4 | N2333 | N2333-M2335 PolarHBondContact O-N 2.89Å; N2333-M2335 PolarHBondContact OD1-N 3.41Å |
| 2336 | S | 84.4 | Confident | 81.1 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -65 | 161.1 | 175.5 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | P2330 N2333 | P2330-S2336 WeakPolarHBondContact CD-OG 3.45Å; N2333-S2336 VanDerWaalsContact O-CB 3.25Å; N2333-S2336 WeakPolarHBondContact O-CB 3.36Å; N2333-S2336 PolarHBondContact O-N 2.84Å; N2333-S2336 PolarHBondContact O-OG 3.39Å; N2333-S2336 PolarHBondContact OD1-N 3.27Å |
| 2337 | N | 85.7 | Confident | 78.5 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 139.9 | 177.6 | -66.2 | -13.3 | 0 | 0 | 0 | 111.1 | C1879 P1880 | C1879-N2337 CarbonylContact O-C 2.67Å; C1879-N2337 WeakPolarHBondContact O-CA 3.39Å; P1880-N2337 WeakPolarHBondContact CA-OD1 2.99Å |
| 2338 | S | 85.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.2 | -169.2 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | C1879 S2328 R2329 | C1879-S2338 WeakPolarHBondContact CA-O 3.39Å; C1879-S2338 WeakPolarHBondContact CB-O 3.4Å; C1879-S2338 PolarHBondContact N-O 3.24Å; C1879-S2338 PolarHBondContact O-N 2.85Å; S2328-S2338 CarbonylContact O-C 3.59Å; S2328-S2338 WeakPolarHBondContact O-CA 3.1Å; R2329-S2338 PolarHBondContact NE-OG 2.94Å; R2329-S2338 VanDerWaalsContact NE-OG 3.17Å; R2329-S2338 PolarHBondContact NH2-OG 3.34Å |
| 2339 | N | 89.4 | Confident | 72.1 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 17% | 0.171 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.2 | 167.1 | -67.2 | -32.1 | 0 | 0 | 0 | 108.8 | L1874 F1876 Q1877 G1878 E2327 S2328 Y2341 | L1874-N2339 HydrophobicContact CD1-CB 3.93Å; F1876-N2339 CarbonylContact O-C 3.13Å; F1876-N2339 WeakPolarHBondContact O-CA 3.16Å; Q1877-N2339 WeakPolarHBondContact CA-OD1 3.46Å; Q1877-N2339 WeakPolarHBondContact CG-OD1 3.5Å; G1878-N2339 PolarHBondContact N-OD1 3.46Å; E2327-N2339 CarbonylContact C-O 3.49Å; E2327-N2339 WeakPolarHBondContact CA-O 3.23Å; S2328-N2339 PolarHBondContact N-O 3.22Å; S2328-N2339 PolarHBondContact O-N 2.91Å; N2339-Y2341 HydrophobicContact CB-CD2 4.47Å; N2339-Y2341 HydrophobicContact CB-CE2 3.5Å |
| 2340 | V | 89.5 | Confident | 69.1 | Low | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.6 | -178.7 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | V1875 F1876 C1879 I1883 L2318 I2325 | V1875-V2340 HydrophobicContact CG2-CB 4.44Å; V1875-V2340 HydrophobicContact CG2-CG1 4.15Å; V1875-V2340 VanDerWaalsContact CG2-O 3.28Å; V1875-V2340 WeakPolarHBondContact CG2-O 3.35Å; V1875-V2340 PolarHBondContact N-O 3Å; F1876-V2340 HydrophobicContact CB-CB 4.09Å; F1876-V2340 HydrophobicContact CB-CG2 4.36Å; F1876-V2340 PolarHBondContact N-O 3.48Å; F1876-V2340 VanDerWaalsContact N-O 3.14Å; F1876-V2340 PolarHBondContact O-N 2.87Å; C1879-V2340 HydrophobicContact CB-CG2 4.23Å; I1883-V2340 HydrophobicContact CD1-CG2 3.95Å; L2318-V2340 HydrophobicContact CD1-CG1 4.43Å; I2325-V2340 HydrophobicContact CG2-CG1 3.83Å |
| 2341 | Y | 88.5 | Confident | 68.1 | Low | 37 Ų | 37 | 74.5 Ų | 74.5 | 15% | 0.145 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.1 | -176.9 | -55.4 | -99.2 | 0 | 0 | 0 | 111.1 | F1872 S1873 L1874 I2325 V2326 S2328 N2339 | F1872-Y2341 HydrophobicContact CB-CD1 3.81Å; F1872-Y2341 HydrophobicContact CB-CG 4.27Å; S1873-Y2341 CarbonylContact O-C 3.5Å; S1873-Y2341 VanDerWaalsContact O-CA 3.3Å; S1873-Y2341 WeakPolarHBondContact O-CA 3.36Å; L1874-Y2341 HydrophobicContact CB-CD1 3.91Å; L1874-Y2341 HydrophobicContact CB-CE1 3.86Å; L1874-Y2341 HydrophobicContact CD1-CD1 4.03Å; L1874-Y2341 HydrophobicContact CD1-CE1 3.66Å; L1874-Y2341 HydrophobicContact CD1-CE2 4.2Å; L1874-Y2341 HydrophobicContact CD1-CG 4.46Å; L1874-Y2341 HydrophobicContact CG-CE1 4.31Å; I2325-Y2341 WeakPolarHBondContact CA-O 3.27Å; V2326-Y2341 PolarHBondContact N-O 3.07Å; V2326-Y2341 PolarHBondContact O-N 3.03Å; S2328-Y2341 WeakPolarHBondContact OG-CE2 3.29Å; N2339-Y2341 HydrophobicContact CB-CD2 4.47Å; N2339-Y2341 HydrophobicContact CB-CE2 3.5Å |
| 2342 | I | 86 | Confident | 67 | Low | 15 Ų | 15 | 76.8 Ų | 76.8 | 8% | 0.077 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.9 | 159.8 | -63.9 | 175.4 | 0 | 0 | 0 | 107.8 | S1873 V1875 I1899 L1912 N2323 I2324 S2344 | S1873-I2342 PolarHBondContact N-O 3.05Å; S1873-I2342 PolarHBondContact O-N 3.17Å; V1875-I2342 HydrophobicContact CG1-CB 4.46Å; V1875-I2342 HydrophobicContact CG1-CD1 3.7Å; V1875-I2342 HydrophobicContact CG1-CG1 3.87Å; V1875-I2342 HydrophobicContact CG2-CD1 4.44Å; V1875-I2342 HydrophobicContact CG2-CG1 4.08Å; I1899-I2342 HydrophobicContact CD1-CD1 3.8Å; I1899-I2342 HydrophobicContact CD1-CG1 3.93Å; L1912-I2342 HydrophobicContact CD1-CD1 3.49Å; L1912-I2342 VanDerWaalsContact CD1-CD1 3.49Å; L1912-I2342 HydrophobicContact CD2-CD1 4.02Å; L1912-I2342 HydrophobicContact CG-CD1 4.42Å; N2323-I2342 HydrophobicContact CB-CG2 4.09Å; I2324-I2342 CarbonylContact O-C 3.56Å; I2324-I2342 WeakPolarHBondContact O-CA 3.29Å; I2342-S2344 PolarHBondContact O-N 3.39Å |
| 2343 | L | 80.9 | Confident | 65.8 | Low | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.7 | 161.4 | -153.7 | 74.3 | 0 | 0 | 0 | 107.7 | A1870 F1872 L2288 L2295 I2324 D2345 | A1870-L2343 HydrophobicContact CB-CD1 4.11Å; A1870-L2343 HydrophobicContact CB-CD2 4Å; A1870-L2343 HydrophobicContact CB-CG 3.93Å; F1872-L2343 HydrophobicContact CD1-CD1 3.6Å; F1872-L2343 HydrophobicContact CE1-CD1 3.68Å; F1872-L2343 HydrophobicContact CG-CD1 4.28Å; F1872-L2343 HydrophobicContact CZ-CD1 4.43Å; L2288-L2343 HydrophobicContact CD1-CD2 3.93Å; L2295-L2343 HydrophobicContact CD2-CD1 4.2Å; L2295-L2343 HydrophobicContact CD2-CD2 4.46Å; I2324-L2343 HydrophobicContact CB-CB 3.88Å; I2324-L2343 HydrophobicContact CD1-CD2 4.09Å; I2324-L2343 HydrophobicContact CG2-CB 4.15Å; I2324-L2343 PolarHBondContact O-N 3.05Å; L2343-D2345 PolarHBondContact O-N 3.06Å |
| 2344 | S | 59.1 | Low | 64.7 | Low | 55 Ų | 55 | 72.4 Ų | 72.4 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 105.8 | -174.6 | -73 | 0 | 0 | 0 | 0 | 111.1 | C1871 S1873 I2342 | C1871-S2344 PolarHBondContact O-N 2.71Å; S1873-S2344 WeakPolarHBondContact CB-OG 3.21Å; S1873-S2344 WeakPolarHBondContact OG-CB 3.38Å; S1873-S2344 PolarHBondContact OG-OG 2.82Å; I2342-S2344 PolarHBondContact O-N 3.39Å |
| 2345 | D | 51.4 | Low | 64.1 | Low | 72 Ų | 72 | 72.6 Ų | 72.6 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -86.5 | 128.3 | -173.7 | -84.6 | -24 | 0 | 0 | 0 | 114.2 | L2343 M2347 | L2343-D2345 PolarHBondContact O-N 3.06Å; D2345-M2347 HydrophobicContact CB-CB 3.96Å; D2345-M2347 HydrophobicContact CB-CE 4.41Å; D2345-M2347 HydrophobicContact CB-CG 4.04Å; D2345-M2347 PolarHBondContact O-N 3.16Å; D2345-M2347 WeakPolarHBondContact OD1-CE 3.44Å; D2345-M2347 WeakPolarHBondContact OD2-CE 3.45Å | ||
| 2346 | N | 34.9 | Very low | 63.2 | Low | 127 Ų | 127 | 66.4 Ų | 66.4 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | trans | -82.6 | 27.3 | 158.4 | -77.5 | -55.2 | 0 | 0 | 0 | 111.8 | E2348 | N2346-E2348 PolarHBondContact O-N 2.83Š| ||
| 2347 | M | 36.6 | Very low | 61.7 | Low | 68 Ų | 68 | 69.5 Ų | 69.5 | 34% | 0.335 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 39 | -168.3 | -60.6 | -151.9 | -70.6 | 0 | 0 | 114.8 | L2283 D2345 N2349 I2350 | L2283-M2347 HydrophobicContact CD1-CE 3.69Å; L2283-M2347 HydrophobicContact CD1-SD 4.3Å; L2283-M2347 HydrophobicContact CD2-CE 3.85Å; L2283-M2347 HydrophobicContact CG-CE 4.31Å; D2345-M2347 HydrophobicContact CB-CB 3.96Å; D2345-M2347 HydrophobicContact CB-CE 4.41Å; D2345-M2347 HydrophobicContact CB-CG 4.04Å; D2345-M2347 PolarHBondContact O-N 3.16Å; D2345-M2347 WeakPolarHBondContact OD1-CE 3.44Å; D2345-M2347 WeakPolarHBondContact OD2-CE 3.45Å; M2347-N2349 VanDerWaalsContact C-N 3.32Å; M2347-I2350 HydrophobicContact CG-CD1 4.13Å; M2347-I2350 HydrophobicContact SD-CD1 3.71Å |
| 2348 | E | 27.5 | Very low | 59.8 | Low | 196 Ų | 196 | 68.1 Ų | 68.1 | 92% | 0.916 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.3 | 152.4 | -68.3 | -170.6 | 142.5 | 0 | 0 | 111.8 | N2346 | N2346-E2348 PolarHBondContact O-N 2.83Š|
| 2349 | N | 23.3 | Very low | 57.7 | Low | 156 Ų | 156 | 73.6 Ų | 73.6 | 83% | 0.834 | 38% | 0.381 | S | S | * | . | trans | -111.9 | 31.7 | 179.3 | -74.5 | -41.3 | 0 | 0 | 0 | 114 | M2347 | M2347-N2349 VanDerWaalsContact C-N 3.32Š| ||
| 2350 | I | 25.4 | Very low | 54.8 | Low | 119 Ų | 119 | 77.4 Ų | 77.4 | 61% | 0.61 | 40% | 0.4 | S | S | * | . | trans | -133.8 | 0 | 168.4 | -49.6 | -175.6 | 0 | 0 | 0 | 109.3 | R2284 M2347 | R2284-I2350 PolarHBondContact NH1-O 2.78Å; R2284-I2350 PolarHBondContact NH1-OXT 3.25Å; M2347-I2350 HydrophobicContact CG-CD1 4.13Å; M2347-I2350 HydrophobicContact SD-CD1 3.71Å |
Retrieved 2,350 of 2,350 residues in 320.3 ms
(Link to these results)