| 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 | 43.9 | Very low | 51.8 | Low | 210 Ų | 210 | 103 Ų | 103 | 100% | 1.034 | 53% | 0.528 | S | S | * | . | 0 | 152 | 0 | -69.7 | 174.8 | 175.4 | 0 | 0 | 108.1 | |||||
| 2 | S | 41.8 | Very low | 54.1 | Low | 55 Ų | 55 | 95.1 Ų | 95.1 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | trans | -82.7 | 153 | -179.8 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | A4 E5 Q6 | S2-A4 PolarHBondContact O-N 3.24Å; S2-E5 WeakPolarHBondContact CB-OE2 3.37Å; S2-E5 PolarHBondContact N-OE2 2.94Å; S2-E5 PolarHBondContact O-N 2.86Å; S2-E5 VanDerWaalsContact O-N 3.1Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 2.91Å; S2-E5 PolarHBondContact OG-OE2 2.74Å; S2-Q6 PolarHBondContact O-N 2.67Å | ||
| 3 | L | 49.8 | Very low | 56.2 | Low | 144 Ų | 144 | 89.4 Ų | 89.4 | 75% | 0.754 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.8 | -24.6 | 174.1 | -116 | 157.9 | 0 | 0 | 0 | 112.4 | Q6 S7 | L3-Q6 PolarHBondContact O-N 3.29Å; L3-S7 PolarHBondContact O-N 3.18Å |
| 4 | A | 44 | Very low | 58.4 | Low | 71 Ų | 71 | 86.2 Ų | 86.2 | 59% | 0.587 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -80.6 | -18 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S2 S7 | S2-A4 PolarHBondContact O-N 3.24Å; A4-S7 PolarHBondContact O-OG 3.31Å |
| 5 | E | 47.5 | Very low | 60.5 | Low | 112 Ų | 112 | 80.5 Ų | 80.5 | 52% | 0.523 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -81.8 | -31.5 | 167.9 | -71.5 | 159.9 | 105.3 | 0 | 0 | 111 | S2 | S2-E5 WeakPolarHBondContact CB-OE2 3.37Å; S2-E5 PolarHBondContact N-OE2 2.94Å; S2-E5 PolarHBondContact O-N 2.86Å; S2-E5 VanDerWaalsContact O-N 3.1Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 2.91Å; S2-E5 PolarHBondContact OG-OE2 2.74Å |
| 6 | Q | 49.3 | Very low | 62.5 | Low | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 178 | -70 | 178.7 | -24.9 | 0 | 0 | 112.2 | S2 L3 Q8 K9 | S2-Q6 PolarHBondContact O-N 2.67Å; L3-Q6 PolarHBondContact O-N 3.29Å; Q6-Q8 VanDerWaalsContact C-N 3.3Å; Q6-Q8 PolarHBondContact O-N 3.36Å; Q6-K9 PolarHBondContact O-N 3.02Å |
| 7 | S | 46.4 | Very low | 64.4 | Low | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -32 | 178.7 | 56.6 | 0 | 0 | 0 | 0 | 114 | L3 A4 M156 | L3-S7 PolarHBondContact O-N 3.18Å; A4-S7 PolarHBondContact O-OG 3.31Å; S7-M156 WeakPolarHBondContact CB-SD 3.3Å |
| 8 | Q | 46.3 | Very low | 66.1 | Low | 179 Ų | 179 | 70.3 Ų | 70.3 | 84% | 0.836 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.2 | 177.1 | -66.5 | -166.7 | -11.9 | 0 | 0 | 113.8 | Q6 W10 | Q6-Q8 VanDerWaalsContact C-N 3.3Å; Q6-Q8 PolarHBondContact O-N 3.36Å; Q8-W10 PolarHBondContact O-N 3.17Å |
| 9 | K | 58.1 | Low | 67.8 | Low | 75 Ų | 75 | 66.6 Ų | 66.6 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -83.5 | 110.2 | 175.6 | -162.8 | 171.6 | -174.1 | -178.1 | 0 | 109.4 | Q6 F11 D110 | Q6-K9 PolarHBondContact O-N 3.02Å; K9-F11 HydrophobicContact CB-CE2 3.94Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.26Å; K9-F11 HydrophobicContact CD-CZ 4.07Å; K9-F11 HydrophobicContact CG-CE2 4.4Å; K9-F11 HydrophobicContact CG-CZ 4.21Å; K9-F11 WeakPolarHBondContact O-CD2 3.49Å; K9-F11 VanDerWaalsContact O-CE2 3.27Å; K9-F11 WeakPolarHBondContact O-CE2 3.49Å; K9-F11 PolarHBondContact O-N 2.84Å; K9-D110 WeakPolarHBondContact CE-OD1 3.32Å; K9-D110 IonicContact NZ-OD1 3.82Å; K9-D110 PolarHBondContact NZ-OD1 3.46Å; K9-D110 IonicContact NZ-OD2 2.76Å |
| 10 | W | 70.8 | Confident | 69.2 | Low | 114 Ų | 114 | 64.8 Ų | 64.8 | 43% | 0.432 | 33% | 0.333 | S | S | . | . | trans | -58.9 | 126.8 | 166.9 | -179.5 | 98.2 | 0 | 0 | 0 | 109.2 | Q8 P12 F109 F142 R144 | Q8-W10 PolarHBondContact O-N 3.17Å; W10-P12 HydrophobicContact CH2-CB 3.85Å; W10-P12 HydrophobicContact CZ3-CB 3.68Å; W10-P12 HydrophobicContact CZ3-CG 4.16Å; W10-F109 AromaticContact CE3-CE2 3.75Å; W10-F109 HydrophobicContact CE3-CE2 3.75Å; W10-F109 AromaticContact CE3-CZ 3.97Å; W10-F109 HydrophobicContact CE3-CZ 3.97Å; W10-F109 AromaticContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CZ 4.3Å; W10-F109 VanDerWaalsContact O-CZ 3.27Å; W10-F109 WeakPolarHBondContact O-CZ 3.39Å; W10-F142 HydrophobicContact CH2-CB 4Å; W10-F142 HydrophobicContact CZ3-CB 4.05Å; W10-R144 HydrophobicContact CH2-CB 4.38Å; W10-R144 HydrophobicContact CZ2-CB 3.48Å; W10-R144 VanDerWaalsContact CZ2-CB 3.48Å | ||
| 11 | F | 71.9 | Confident | 70.5 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | trans | -109.3 | 135.1 | 173.8 | -70.4 | -83.3 | 0 | 0 | 0 | 110.3 | K9 L72 R144 | K9-F11 HydrophobicContact CB-CE2 3.94Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.26Å; K9-F11 HydrophobicContact CD-CZ 4.07Å; K9-F11 HydrophobicContact CG-CE2 4.4Å; K9-F11 HydrophobicContact CG-CZ 4.21Å; K9-F11 WeakPolarHBondContact O-CD2 3.49Å; K9-F11 VanDerWaalsContact O-CE2 3.27Å; K9-F11 WeakPolarHBondContact O-CE2 3.49Å; K9-F11 PolarHBondContact O-N 2.84Å; F11-L72 HydrophobicContact CD1-CB 4.49Å; F11-L72 HydrophobicContact CD1-CD1 4.01Å; F11-L72 HydrophobicContact CD1-CG 4.35Å; F11-L72 HydrophobicContact CE1-CB 4.41Å; F11-L72 HydrophobicContact CE1-CD1 4.36Å; F11-R144 VanDerWaalsContact O-CD 3.28Å; F11-R144 WeakPolarHBondContact O-CD 3.27Å | ||
| 12 | P | 79.4 | Confident | 73.1 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | trans | -73.9 | 150.5 | 170.8 | 31.3 | -33.1 | 0 | 0 | 0 | 111.1 | W10 L68 F109 F142 M143 | W10-P12 HydrophobicContact CH2-CB 3.85Å; W10-P12 HydrophobicContact CZ3-CB 3.68Å; W10-P12 HydrophobicContact CZ3-CG 4.16Å; P12-L68 HydrophobicContact CB-CD1 4.01Å; P12-L68 HydrophobicContact CG-CD1 3.92Å; P12-F109 HydrophobicContact CG-CD2 4.19Å; P12-F109 HydrophobicContact CG-CE2 4.26Å; P12-F109 HydrophobicContact CG-CG 4.48Å; P12-F142 HydrophobicContact CB-CB 3.96Å; P12-F142 HydrophobicContact CB-CD1 4.01Å; P12-F142 HydrophobicContact CB-CG 4.4Å; P12-F142 HydrophobicContact CG-CB 4.44Å; P12-F142 HydrophobicContact CG-CD1 3.89Å; P12-F142 HydrophobicContact CG-CG 4.44Å; P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.28Å; P12-M143 WeakPolarHBondContact CA-O 3.44Å; P12-M143 WeakPolarHBondContact CB-O 3.43Å | ||
| 13 | T | 81.4 | Confident | 75.6 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.129 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -115.7 | -12.9 | 171.3 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | L68 M143 R144 N145 | T13-L68 PolarHBondContact O-N 3.49Å; T13-M143 PolarHBondContact N-O 3.44Å; T13-R144 HydrophobicContact CG2-CG 4.28Å; T13-N145 WeakPolarHBondContact CB-OD1 3.38Å; T13-N145 PolarHBondContact OG1-N 2.88Å; T13-N145 VanDerWaalsContact OG1-N 3.11Å; T13-N145 PolarHBondContact OG1-OD1 3.48Å |
| 14 | H | 86.4 | Confident | 77.7 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.1 | 178.6 | -73 | 58.1 | 0 | 0 | 0 | 109.6 | F66 E67 M143 N145 | H14-F66 VanDerWaalsContact CA-O 3.31Å; H14-F66 WeakPolarHBondContact CA-O 3.31Å; H14-E67 IonicContact CE1-OE1 2.68Å; H14-M143 HydrophobicContact CB-CB 4.2Å; H14-M143 HydrophobicContact CB-CE 4.03Å; H14-M143 PolarHBondContact N-O 3.39Å; H14-M143 PolarHBondContact O-N 2.74Å; H14-N145 PolarHBondContact CE1-ND2 3.37Å |
| 15 | V | 89.8 | Confident | 80 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.2 | 170.8 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | L42 S65 F66 L68 L105 I140 F142 | V15-L42 HydrophobicContact CG1-CD2 3.57Å; V15-S65 WeakPolarHBondContact O-CA 3.38Å; V15-F66 HydrophobicContact CG1-CB 3.99Å; V15-F66 HydrophobicContact CG1-CD2 4.33Å; V15-F66 PolarHBondContact N-O 3.35Å; V15-F66 PolarHBondContact O-N 2.76Å; V15-L68 HydrophobicContact CB-CD1 4.28Å; V15-L68 HydrophobicContact CB-CD2 4.4Å; V15-L68 HydrophobicContact CB-CG 4.39Å; V15-L68 HydrophobicContact CG1-CD2 3.81Å; V15-L68 HydrophobicContact CG1-CG 4.21Å; V15-L105 HydrophobicContact CB-CD1 4.4Å; V15-L105 HydrophobicContact CG1-CD1 3.87Å; V15-L105 HydrophobicContact CG2-CD1 4.25Å; V15-L105 HydrophobicContact CG2-CD2 4.3Å; V15-I140 HydrophobicContact CG2-CG2 3.81Å; V15-F142 HydrophobicContact CB-CD1 4.36Å; V15-F142 HydrophobicContact CB-CE1 4.46Å; V15-F142 HydrophobicContact CG2-CD1 4.19Å; V15-F142 HydrophobicContact CG2-CE1 4.08Å |
| 16 | Q | 92.6 | Very high | 82.1 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.1 | 178 | -175.9 | -175.9 | 14.3 | 0 | 0 | 107.9 | E63 Q141 M143 | Q16-E63 HydrophobicContact CG-CG 3.78Å; Q16-E63 PolarHBondContact NE2-OE1 3.32Å; Q16-E63 VanDerWaalsContact NE2-OE1 3.17Å; Q16-E63 PolarHBondContact NE2-OE2 3.11Å; Q16-Q141 HydrophobicContact CB-CB 4.25Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 3.16Å; Q16-Q141 PolarHBondContact O-N 2.79Å; Q16-M143 HydrophobicContact CB-CE 3.93Å; Q16-M143 HydrophobicContact CB-SD 4.31Å |
| 17 | A | 94.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 109.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I40 A64 F66 L82 S139 | A17-I40 HydrophobicContact CB-CG2 4.25Å; A17-A64 PolarHBondContact N-O 3.1Å; A17-A64 PolarHBondContact O-N 3.21Å; A17-F66 HydrophobicContact CB-CE2 4.26Å; A17-L82 HydrophobicContact CB-CD1 4.47Å; A17-L82 HydrophobicContact CB-CD2 4.13Å; A17-S139 WeakPolarHBondContact CA-O 3.35Å |
| 18 | T | 96.3 | Very high | 86.1 | Confident | 24 Ų | 24 | 44 Ų | 44 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.8 | 175.2 | -42.8 | 0 | 0 | 0 | 0 | 109.8 | L20 E62 E63 V138 S139 | T18-L20 HydrophobicContact CG2-CD2 3.9Å; T18-L20 PolarHBondContact O-N 2.59Å; T18-E62 CarbonylContact C-O 3.45Å; T18-E62 VanDerWaalsContact CA-O 3.27Å; T18-E62 WeakPolarHBondContact CA-O 3.43Å; T18-E62 VanDerWaalsContact CG2-O 3.31Å; T18-E62 WeakPolarHBondContact CG2-O 3.34Å; T18-E63 HydrophobicContact CG2-CB 4.46Å; T18-V138 WeakPolarHBondContact O-CA 3.34Å; T18-S139 PolarHBondContact N-O 2.91Å; T18-S139 PolarHBondContact O-N 3.34Å |
| 19 | V | 97.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 108.8 | 171.6 | 168.7 | 0 | 0 | 0 | 0 | 108.1 | T38 I40 T49 W60 R61 E62 L84 I136 | V19-T38 HydrophobicContact CG1-CG2 4.29Å; V19-T38 HydrophobicContact CG2-CG2 4.15Å; V19-I40 HydrophobicContact CB-CD1 4.15Å; V19-I40 HydrophobicContact CG2-CD1 3.52Å; V19-I40 HydrophobicContact CG2-CG1 3.85Å; V19-T49 HydrophobicContact CB-CG2 4.46Å; V19-T49 HydrophobicContact CG1-CG2 4.47Å; V19-W60 HydrophobicContact CG1-CD2 4.29Å; V19-W60 HydrophobicContact CG1-CE3 3.5Å; V19-W60 VanDerWaalsContact CG1-CE3 3.5Å; V19-W60 HydrophobicContact CG1-CZ3 3.89Å; V19-R61 WeakPolarHBondContact O-CA 3.4Å; V19-R61 PolarHBondContact O-N 3.33Å; V19-E62 PolarHBondContact N-O 3.35Å; V19-E62 PolarHBondContact O-N 3.16Å; V19-E62 VanDerWaalsContact O-N 3.15Å; V19-L84 HydrophobicContact CG2-CD2 4.17Å; V19-I136 HydrophobicContact CG1-CD1 3.93Å; V19-I136 HydrophobicContact CG1-CG1 4.37Å; V19-I136 HydrophobicContact CG2-CD1 4.41Å |
| 20 | L | 96.8 | Very high | 88.8 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -56.8 | -174.8 | -66.9 | 176 | 0 | 0 | 0 | 110.9 | T18 W60 R61 T117 E137 | T18-L20 HydrophobicContact CG2-CD2 3.9Å; T18-L20 PolarHBondContact O-N 2.59Å; L20-W60 PolarHBondContact O-N 2.9Å; L20-R61 HydrophobicContact CD2-CB 4.46Å; L20-R61 HydrophobicContact CD2-CG 4.27Å; L20-R61 PolarHBondContact O-N 2.98Å; L20-T117 HydrophobicContact CD1-CG2 3.51Å; L20-E137 HydrophobicContact CB-CB 4.39Å; L20-E137 HydrophobicContact CB-CG 4.49Å; L20-E137 HydrophobicContact CD1-CG 4.19Å; L20-E137 PolarHBondContact N-O 3.21Å |
| 21 | Q | 96.8 | Very high | 89.3 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 165.5 | -174.6 | 54.8 | -171.6 | 4.9 | 0 | 0 | 110.7 | P58 V59 W119 E137 | Q21-P58 CarbonylContact C-O 3.48Å; Q21-P58 WeakPolarHBondContact CA-O 3.4Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.46Å; Q21-V59 HydrophobicContact CB-CB 4.32Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.95Å; Q21-W119 HydrophobicContact CG-CH2 4Å; Q21-W119 HydrophobicContact CG-CZ2 4.31Å; Q21-E137 HydrophobicContact CG-CB 3.92Å; Q21-E137 WeakPolarHBondContact CG-OE2 3.44Å; Q21-E137 PolarHBondContact NE2-OE2 2.99Å; Q21-E137 PolarHBondContact O-N 3.12Å |
| 22 | A | 96.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 161.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L25 D57 P58 W60 R135 I136 | A22-L25 HydrophobicContact CB-CD1 4.02Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.08Å; A22-D57 CarbonylContact O-C 3.49Å; A22-D57 VanDerWaalsContact O-CA 3.22Å; A22-D57 WeakPolarHBondContact O-CA 3.3Å; A22-P58 HydrophobicContact CB-CG 4.01Å; A22-P58 PolarHBondContact N-O 2.95Å; A22-P58 WeakPolarHBondContact O-CD 3.48Å; A22-W60 HydrophobicContact CB-CH2 4.01Å; A22-W60 HydrophobicContact CB-CZ3 3.8Å; A22-R135 CarbonylContact C-O 3.58Å; A22-R135 WeakPolarHBondContact CA-O 3.31Å; A22-R135 WeakPolarHBondContact CB-O 3.48Å; A22-I136 HydrophobicContact CB-CB 4.3Å; A22-I136 HydrophobicContact CB-CG1 4.26Å |
| 23 | S | 95.8 | Very high | 90.3 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 147.7 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 112 | L25 D57 G134 R135 | S23-L25 VanDerWaalsContact C-N 3.33Å; S23-L25 PolarHBondContact O-N 2.72Å; S23-D57 WeakPolarHBondContact CA-OD1 3.32Å; S23-D57 WeakPolarHBondContact CB-OD1 3.47Å; S23-D57 PolarHBondContact OG-OD1 3.48Å; S23-G134 CarbonylContact O-C 3.6Å; S23-G134 VanDerWaalsContact O-CA 3.28Å; S23-G134 WeakPolarHBondContact O-CA 3.46Å; S23-R135 PolarHBondContact N-O 2.86Å; S23-R135 PolarHBondContact O-N 3.33Å |
| 24 | G | 92.6 | Very high | 90.8 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 67.3 | 28.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q26 D57 G134 | G24-Q26 PolarHBondContact O-N 2.88Å; G24-D57 PolarHBondContact N-OD1 3.37Å; G24-G134 VanDerWaalsContact O-CA 3.27Å; G24-G134 WeakPolarHBondContact O-CA 3.45Å |
| 25 | L | 93.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -67 | 125.7 | -178.2 | -62.9 | -177.2 | 0 | 0 | 0 | 111.2 | A22 S23 A36 A56 P58 V86 L98 L122 | A22-L25 HydrophobicContact CB-CD1 4.02Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.08Å; S23-L25 VanDerWaalsContact C-N 3.33Å; S23-L25 PolarHBondContact O-N 2.72Å; L25-A36 HydrophobicContact CD1-CB 4.19Å; L25-A56 VanDerWaalsContact CB-O 3.27Å; L25-A56 WeakPolarHBondContact CB-O 3.12Å; L25-A56 WeakPolarHBondContact CG-O 3.27Å; L25-A56 PolarHBondContact N-O 3.13Å; L25-A56 VanDerWaalsContact N-O 3.08Å; L25-P58 HydrophobicContact CD1-CG 3.54Å; L25-V86 HydrophobicContact CD1-CG1 3.89Å; L25-V86 HydrophobicContact CD2-CG1 4.38Å; L25-L98 HydrophobicContact CD1-CD1 3.97Å; L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å |
| 26 | Q | 91.2 | Very high | 91.5 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -56.5 | 125.4 | 179.5 | -75.9 | -70 | -47.1 | 0 | 0 | 111.8 | G24 N34 L98 | G24-Q26 PolarHBondContact O-N 2.88Å; Q26-N34 PolarHBondContact O-ND2 3.28Å; Q26-N34 VanDerWaalsContact O-ND2 3.11Å; Q26-L98 WeakPolarHBondContact O-CD2 3.46Å |
| 27 | P | 90.7 | Very high | 91.8 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 40% | 0.403 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 135.9 | -171.1 | 28 | -36.3 | 0 | 0 | 0 | 112.7 | G32 | P27-G32 WeakPolarHBondContact CB-O 3.07Š|
| 28 | K | 88.3 | Confident | 91.9 | Very high | 77 Ų | 77 | 42.3 Ų | 42.3 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | trans | -140.1 | -8.5 | -176.4 | -64.7 | -69.2 | 159 | -85.2 | 0 | 114.3 | N34 K96 L98 | K28-N34 PolarHBondContact N-OD1 2.93Å; K28-K96 HydrophobicContact CB-CB 4.31Å; K28-K96 HydrophobicContact CB-CD 4.02Å; K28-K96 WeakPolarHBondContact O-CD 3.03Å; K28-K96 PolarHBondContact O-NZ 3.37Å; K28-L98 HydrophobicContact CB-CD2 3.98Å; K28-L98 HydrophobicContact CG-CD2 3.64Å | ||
| 29 | G | 83.8 | Confident | 91.9 | Very high | 15 Ų | 15 | 42 Ų | 42 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -77.1 | 172.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | N31 T33 H88 | G29-N31 VanDerWaalsContact C-N 3.29Å; G29-N31 PolarHBondContact O-N 3.23Å; G29-T33 WeakPolarHBondContact CA-O 3.14Å; G29-T33 PolarHBondContact N-O 2.83Å; G29-H88 WeakPolarHBondContact CA-NE2 3.27Å; G29-H88 PolarHBondContact N-NE2 3.43Å |
| 30 | K | 78.3 | Confident | 91.9 | Very high | 183 Ų | 183 | 42 Ų | 42 | 80% | 0.796 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -27.8 | -175.2 | -67 | -175.9 | 178.4 | -177.9 | 0 | 113.4 | ||
| 31 | N | 80.4 | Confident | 91.8 | Very high | 137 Ų | 137 | 44.1 Ų | 44.1 | 73% | 0.733 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 19.9 | -170.8 | -60.5 | 28.8 | 0 | 0 | 0 | 112.7 | G29 T33 | G29-N31 VanDerWaalsContact C-N 3.29Å; G29-N31 PolarHBondContact O-N 3.23Å; N31-T33 PolarHBondContact O-N 2.64Å |
| 32 | G | 83.6 | Confident | 91.5 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 53% | 0.526 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 72 | 4.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P27 | P27-G32 WeakPolarHBondContact CB-O 3.07Š|
| 33 | T | 89.1 | Confident | 91 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | trans | -102.6 | 174.3 | 175.6 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | G29 N31 K54 | G29-T33 WeakPolarHBondContact CA-O 3.14Å; G29-T33 PolarHBondContact N-O 2.83Å; N31-T33 PolarHBondContact O-N 2.64Å; T33-K54 HydrophobicContact CG2-CB 4.43Å; T33-K54 WeakPolarHBondContact CG2-O 3.26Å | ||
| 34 | N | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 144.8 | 165 | -64.7 | -51.1 | 0 | 0 | 0 | 110.9 | Q26 K28 A36 K54 T55 L98 | Q26-N34 PolarHBondContact O-ND2 3.28Å; Q26-N34 VanDerWaalsContact O-ND2 3.11Å; K28-N34 PolarHBondContact N-OD1 2.93Å; N34-A36 HydrophobicContact CB-CB 4.26Å; N34-K54 PolarHBondContact O-N 3.41Å; N34-K54 VanDerWaalsContact O-N 3.1Å; N34-T55 WeakPolarHBondContact CA-O 3.32Å; N34-T55 WeakPolarHBondContact CB-O 3.28Å; N34-T55 PolarHBondContact N-O 2.92Å; N34-T55 PolarHBondContact O-N 2.89Å; N34-L98 HydrophobicContact CB-CD1 4Å |
| 35 | D | 94.9 | Very high | 90.3 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 94.7 | 161.4 | -50.8 | -54.1 | 0 | 0 | 0 | 106.7 | V51 A52 E53 K54 H88 R89 | D35-V51 HydrophobicContact CB-CG1 4.03Å; D35-A52 CarbonylContact C-O 3.45Å; D35-A52 WeakPolarHBondContact CA-O 3.21Å; D35-E53 WeakPolarHBondContact OD1-CA 3.28Å; D35-K54 PolarHBondContact OD1-N 3.27Å; D35-H88 PolarHBondContact N-CE1 3.44Å; D35-H88 PolarHBondContact N-ND1 3.1Å; D35-H88 CarbonylContact O-C 3.55Å; D35-H88 VanDerWaalsContact O-CA 3.25Å; D35-H88 WeakPolarHBondContact O-CA 3.33Å; D35-H88 PolarHBondContact O-ND1 2.88Å; D35-H88 IonicContact OD2-CE1 2.64Å; D35-H88 PolarHBondContact OD2-CE1 2.86Å; D35-R89 HydrophobicContact CB-CB 4.49Å; D35-R89 PolarHBondContact O-N 3.42Å |
| 36 | A | 95.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.3 | -159.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L25 N34 V51 A52 P58 W60 M87 L98 | L25-A36 HydrophobicContact CD1-CB 4.19Å; N34-A36 HydrophobicContact CB-CB 4.26Å; A36-V51 CarbonylContact O-C 3.47Å; A36-V51 WeakPolarHBondContact O-CA 3.39Å; A36-A52 PolarHBondContact N-O 2.72Å; A36-A52 PolarHBondContact O-N 2.95Å; A36-P58 HydrophobicContact CB-CB 4.16Å; A36-P58 HydrophobicContact CB-CG 3.98Å; A36-W60 HydrophobicContact CB-CZ2 4.17Å; A36-W60 PolarHBondContact O-NE1 3.42Å; A36-M87 WeakPolarHBondContact CA-O 3.45Å; A36-L98 HydrophobicContact CB-CD1 4.01Å |
| 37 | Y | 97.2 | Very high | 90.6 | Very high | 37 Ų | 37 | 61 Ų | 61 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158 | 169.9 | 69.5 | -84.4 | 0 | 0 | 0 | 111.3 | I39 S50 V51 V86 M87 R89 D95 | Y37-I39 HydrophobicContact CD2-CG1 4.39Å; Y37-I39 HydrophobicContact CE2-CD1 4.15Å; Y37-I39 HydrophobicContact CE2-CG1 3.89Å; Y37-S50 WeakPolarHBondContact CB-O 3.42Å; Y37-V51 HydrophobicContact CD1-CG2 4.23Å; Y37-V51 HydrophobicContact CG-CG2 4.42Å; Y37-V86 WeakPolarHBondContact O-CA 3.2Å; Y37-M87 HydrophobicContact CD1-CB 4.13Å; Y37-M87 HydrophobicContact CD2-CB 4.47Å; Y37-M87 HydrophobicContact CE1-CB 3.61Å; Y37-M87 HydrophobicContact CE2-CB 3.99Å; Y37-M87 HydrophobicContact CE2-CG 4.33Å; Y37-M87 PolarHBondContact N-O 3.27Å; Y37-M87 PolarHBondContact O-N 3.38Å; Y37-R89 HydrophobicContact CD1-CB 4.25Å; Y37-R89 HydrophobicContact CE1-CB 4.18Å; Y37-D95 VanDerWaalsContact CE1-OD2 3.24Å; Y37-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y37-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y37-D95 PolarHBondContact OH-OD2 3Å |
| 38 | T | 97.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.4 | 177.5 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | V19 I40 S48 T49 W60 V86 I136 | V19-T38 HydrophobicContact CG1-CG2 4.29Å; V19-T38 HydrophobicContact CG2-CG2 4.15Å; T38-I40 HydrophobicContact CG2-CG1 4.24Å; T38-S48 WeakPolarHBondContact O-CA 3.38Å; T38-T49 PolarHBondContact N-OG1 3.35Å; T38-T49 PolarHBondContact O-N 3.3Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.35Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.29Å; T38-V86 HydrophobicContact CG2-CG2 4.48Å; T38-I136 HydrophobicContact CG2-CD1 3.87Å |
| 39 | I | 96.9 | Very high | 91.3 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.7 | 162.6 | -71.5 | 164.1 | 0 | 0 | 0 | 107.9 | Y37 Q41 K46 L84 T85 M87 | Y37-I39 HydrophobicContact CD2-CG1 4.39Å; Y37-I39 HydrophobicContact CE2-CD1 4.15Å; Y37-I39 HydrophobicContact CE2-CG1 3.89Å; I39-Q41 HydrophobicContact CG2-CB 4.41Å; I39-K46 HydrophobicContact CG2-CD 4.06Å; I39-K46 HydrophobicContact CG2-CG 3.92Å; I39-L84 CarbonylContact O-C 3.58Å; I39-L84 WeakPolarHBondContact O-CA 3.27Å; I39-T85 WeakPolarHBondContact CB-O 3.34Å; I39-T85 PolarHBondContact N-O 3.18Å; I39-T85 PolarHBondContact O-N 3.38Å; I39-M87 HydrophobicContact CD1-CG 4.07Å |
| 40 | I | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.3 | 173.2 | -46.9 | 176.3 | 0 | 0 | 0 | 106.5 | A17 V19 T38 K46 Y47 T49 A64 F66 L82 L84 | A17-I40 HydrophobicContact CB-CG2 4.25Å; V19-I40 HydrophobicContact CB-CD1 4.15Å; V19-I40 HydrophobicContact CG2-CD1 3.52Å; V19-I40 HydrophobicContact CG2-CG1 3.85Å; T38-I40 HydrophobicContact CG2-CG1 4.24Å; I40-K46 CarbonylContact O-C 3.58Å; I40-K46 WeakPolarHBondContact O-CA 3.43Å; I40-Y47 HydrophobicContact CD1-CD1 4.04Å; I40-Y47 PolarHBondContact N-O 2.73Å; I40-Y47 PolarHBondContact O-N 2.68Å; I40-T49 HydrophobicContact CD1-CG2 4.43Å; I40-A64 HydrophobicContact CB-CB 4.49Å; I40-A64 HydrophobicContact CD1-CB 4.07Å; I40-A64 HydrophobicContact CG2-CB 4.32Å; I40-F66 HydrophobicContact CB-CZ 4.12Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.53Å; I40-L82 HydrophobicContact CG2-CD1 3.86Å; I40-L84 HydrophobicContact CB-CD2 4.19Å; I40-L84 HydrophobicContact CG1-CD2 4.12Å; I40-L84 HydrophobicContact CG2-CD2 3.71Å |
| 41 | Q | 94.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.2 | -176.4 | 179.9 | -176.9 | -12 | 0 | 0 | 111 | I39 G43 E45 K46 S83 | I39-Q41 HydrophobicContact CG2-CB 4.41Å; Q41-G43 PolarHBondContact NE2-O 2.78Å; Q41-E45 CarbonylContact C-O 3.6Å; Q41-E45 VanDerWaalsContact CA-O 3.28Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; Q41-E45 WeakPolarHBondContact CG-O 3.44Å; Q41-K46 HydrophobicContact CB-CG 4.49Å; Q41-K46 HydrophobicContact CG-CB 4.49Å; Q41-S83 PolarHBondContact N-O 3.05Å; Q41-S83 PolarHBondContact O-N 3.06Å |
| 42 | L | 91 | Very high | 93.5 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 113 | 169.5 | -173.3 | 63.4 | 0 | 0 | 0 | 109 | V15 K44 E45 F66 L68 V79 L82 L105 | V15-L42 HydrophobicContact CG1-CD2 3.57Å; L42-K44 PolarHBondContact O-N 2.9Å; L42-E45 PolarHBondContact N-O 3.05Å; L42-E45 PolarHBondContact O-N 3.06Å; L42-F66 HydrophobicContact CB-CB 4.35Å; L42-F66 HydrophobicContact CB-CD1 3.84Å; L42-F66 HydrophobicContact CB-CD2 4.36Å; L42-F66 HydrophobicContact CB-CE1 4.17Å; L42-F66 HydrophobicContact CB-CG 3.93Å; L42-F66 HydrophobicContact CD2-CB 3.62Å; L42-F66 HydrophobicContact CD2-CD2 4.43Å; L42-F66 HydrophobicContact CD2-CG 4.02Å; L42-L68 HydrophobicContact CD2-CD2 3.84Å; L42-V79 VanDerWaalsContact CD1-O 3.25Å; L42-V79 WeakPolarHBondContact CD1-O 3.28Å; L42-L82 HydrophobicContact CB-CD1 4.45Å; L42-L82 HydrophobicContact CD1-CB 4.3Å; L42-L105 HydrophobicContact CD1-CD1 3.66Å; L42-L105 HydrophobicContact CD2-CD1 3.95Å; L42-L105 HydrophobicContact CG-CD1 4.5Å |
| 43 | G | 86.2 | Confident | 94 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -109.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q41 | Q41-G43 PolarHBondContact NE2-O 2.78Š|
| 44 | K | 84.3 | Confident | 94.1 | Very high | 214 Ų | 214 | 55.2 Ų | 55.2 | 93% | 0.93 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -21 | 179.9 | -63.5 | 173.3 | -175.3 | 168.4 | 0 | 113.7 | L42 | L42-K44 PolarHBondContact O-N 2.9Š|
| 45 | E | 90.4 | Very high | 94.1 | Very high | 93 Ų | 93 | 57.1 Ų | 57.1 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 139 | -175.8 | -62.2 | -165.6 | 148.8 | 0 | 0 | 110.7 | Q41 L42 F66 | Q41-E45 CarbonylContact C-O 3.6Å; Q41-E45 VanDerWaalsContact CA-O 3.28Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; Q41-E45 WeakPolarHBondContact CG-O 3.44Å; L42-E45 PolarHBondContact N-O 3.05Å; L42-E45 PolarHBondContact O-N 3.06Å; E45-F66 HydrophobicContact CB-CD1 3.68Å; E45-F66 HydrophobicContact CB-CE1 3.99Å; E45-F66 WeakPolarHBondContact OE2-CD1 3.09Å |
| 46 | K | 94.4 | Very high | 93.9 | Very high | 130 Ų | 130 | 57.8 Ų | 57.8 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 116.1 | -176.1 | -178.7 | -175.4 | 165.1 | -174.3 | 0 | 111.3 | I39 I40 Q41 | I39-K46 HydrophobicContact CG2-CD 4.06Å; I39-K46 HydrophobicContact CG2-CG 3.92Å; I40-K46 CarbonylContact O-C 3.58Å; I40-K46 WeakPolarHBondContact O-CA 3.43Å; Q41-K46 HydrophobicContact CB-CG 4.49Å; Q41-K46 HydrophobicContact CG-CB 4.49Å |
| 47 | Y | 96 | Very high | 93.8 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 164.7 | 165.6 | -170.1 | -97.5 | 0 | 0 | 0 | 110.5 | I40 A64 | I40-Y47 HydrophobicContact CD1-CD1 4.04Å; I40-Y47 PolarHBondContact N-O 2.73Å; I40-Y47 PolarHBondContact O-N 2.68Å; Y47-A64 HydrophobicContact CD1-CB 4.02Å; Y47-A64 HydrophobicContact CD2-CB 4.3Å; Y47-A64 HydrophobicContact CG-CB 3.74Å |
| 48 | S | 96.5 | Very high | 93.7 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 129.8 | 171.4 | -63.5 | 0 | 0 | 0 | 0 | 109 | T38 | T38-S48 WeakPolarHBondContact O-CA 3.38Å |
| 49 | T | 97.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | trans | -68.9 | 168.8 | -178.6 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | V19 T38 I40 W60 E62 | V19-T49 HydrophobicContact CB-CG2 4.46Å; V19-T49 HydrophobicContact CG1-CG2 4.47Å; T38-T49 PolarHBondContact N-OG1 3.35Å; T38-T49 PolarHBondContact O-N 3.3Å; I40-T49 HydrophobicContact CD1-CG2 4.43Å; T49-W60 HydrophobicContact CG2-CB 4.38Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 2.86Å; T49-E62 WeakPolarHBondContact CA-OE2 3.3Å; T49-E62 HydrophobicContact CG2-CB 4.09Å | ||
| 50 | S | 96.6 | Very high | 93.7 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 46% | 0.462 | 33% | 0.327 | S | S | . | . | trans | -55.7 | 163 | 160.7 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | Y37 W60 E62 | Y37-S50 WeakPolarHBondContact CB-O 3.42Å; S50-W60 PolarHBondContact O-NE1 2.93Å; S50-E62 WeakPolarHBondContact CB-OE1 3.3Å; S50-E62 VanDerWaalsContact N-CD 3.31Å; S50-E62 PolarHBondContact N-OE1 3.15Å; S50-E62 PolarHBondContact N-OE2 2.64Å; S50-E62 PolarHBondContact OG-OE1 3.15Å | ||
| 51 | V | 96.6 | Very high | 93.6 | Very high | 38 Ų | 38 | 69.7 Ų | 69.7 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | trans | -95.9 | 114.8 | 178.1 | -170 | 0 | 0 | 0 | 0 | 109 | D35 A36 Y37 E53 R89 | D35-V51 HydrophobicContact CB-CG1 4.03Å; A36-V51 CarbonylContact O-C 3.47Å; A36-V51 WeakPolarHBondContact O-CA 3.39Å; Y37-V51 HydrophobicContact CD1-CG2 4.23Å; Y37-V51 HydrophobicContact CG-CG2 4.42Å; V51-E53 PolarHBondContact O-N 3.41Å; V51-R89 HydrophobicContact CG1-CB 4.11Å | ||
| 52 | A | 95.7 | Very high | 93.7 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 107.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | D35 A36 T55 P58 | D35-A52 CarbonylContact C-O 3.45Å; D35-A52 WeakPolarHBondContact CA-O 3.21Å; A36-A52 PolarHBondContact N-O 2.72Å; A36-A52 PolarHBondContact O-N 2.95Å; A52-T55 HydrophobicContact CB-CG2 4.12Å; A52-P58 HydrophobicContact CB-CB 3.46Å; A52-P58 VanDerWaalsContact CB-CB 3.46Å |
| 53 | E | 94.1 | Very high | 93.8 | Very high | 106 Ų | 106 | 71.6 Ų | 71.6 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 150.3 | -172 | -57.1 | -162 | 151 | 0 | 0 | 113.3 | D35 V51 T55 R89 | D35-E53 WeakPolarHBondContact OD1-CA 3.28Å; V51-E53 PolarHBondContact O-N 3.41Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 2.79Å; E53-R89 IonicContact OE1-CZ 2.92Å; E53-R89 IonicContact OE1-NH2 3.75Å; E53-R89 PolarHBondContact OE1-NH2 3.13Å |
| 54 | K | 91.8 | Very high | 94.2 | Very high | 152 Ų | 152 | 70.6 Ų | 70.6 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 37.1 | 169 | -57.5 | 172.5 | -172.1 | 166.4 | 0 | 115.9 | T33 N34 D35 | T33-K54 HydrophobicContact CG2-CB 4.43Å; T33-K54 WeakPolarHBondContact CG2-O 3.26Å; N34-K54 PolarHBondContact O-N 3.41Å; N34-K54 VanDerWaalsContact O-N 3.1Å; D35-K54 PolarHBondContact OD1-N 3.27Å |
| 55 | T | 92.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 24% | 0.239 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 155.8 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | N34 A52 E53 D57 P58 | N34-T55 WeakPolarHBondContact CA-O 3.32Å; N34-T55 WeakPolarHBondContact CB-O 3.28Å; N34-T55 PolarHBondContact N-O 2.92Å; N34-T55 PolarHBondContact O-N 2.89Å; A52-T55 HydrophobicContact CB-CG2 4.12Å; E53-T55 VanDerWaalsContact C-N 3.31Å; E53-T55 PolarHBondContact O-N 2.79Å; T55-D57 PolarHBondContact OG1-N 3.37Å; T55-D57 PolarHBondContact OG1-O 3.35Å; T55-P58 HydrophobicContact CG2-CB 3.8Å |
| 56 | A | 90.3 | Very high | 94.6 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -98.8 | -13.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L25 P58 | L25-A56 VanDerWaalsContact CB-O 3.27Å; L25-A56 WeakPolarHBondContact CB-O 3.12Å; L25-A56 WeakPolarHBondContact CG-O 3.27Å; L25-A56 PolarHBondContact N-O 3.13Å; L25-A56 VanDerWaalsContact N-O 3.08Å; A56-P58 WeakPolarHBondContact O-CD 3.44Å |
| 57 | D | 94 | Very high | 94.2 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -128.3 | 72.6 | -176.2 | -57.4 | -90 | 0 | 0 | 0 | 108.6 | A22 S23 G24 T55 | A22-D57 CarbonylContact O-C 3.49Å; A22-D57 VanDerWaalsContact O-CA 3.22Å; A22-D57 WeakPolarHBondContact O-CA 3.3Å; S23-D57 WeakPolarHBondContact CA-OD1 3.32Å; S23-D57 WeakPolarHBondContact CB-OD1 3.47Å; S23-D57 PolarHBondContact OG-OD1 3.48Å; G24-D57 PolarHBondContact N-OD1 3.37Å; T55-D57 PolarHBondContact OG1-N 3.37Å; T55-D57 PolarHBondContact OG1-O 3.35Å |
| 58 | P | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -73.4 | 143 | -175.5 | 30.6 | -37.5 | 0 | 0 | 0 | 112.5 | Q21 A22 L25 A36 A52 T55 A56 W60 | Q21-P58 CarbonylContact C-O 3.48Å; Q21-P58 WeakPolarHBondContact CA-O 3.4Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.46Å; A22-P58 HydrophobicContact CB-CG 4.01Å; A22-P58 PolarHBondContact N-O 2.95Å; A22-P58 WeakPolarHBondContact O-CD 3.48Å; L25-P58 HydrophobicContact CD1-CG 3.54Å; A36-P58 HydrophobicContact CB-CB 4.16Å; A36-P58 HydrophobicContact CB-CG 3.98Å; A52-P58 HydrophobicContact CB-CB 3.46Å; A52-P58 VanDerWaalsContact CB-CB 3.46Å; T55-P58 HydrophobicContact CG2-CB 3.8Å; A56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-W60 HydrophobicContact CB-CD2 4.44Å; P58-W60 HydrophobicContact CB-CH2 3.89Å; P58-W60 HydrophobicContact CB-CZ2 3.65Å; P58-W60 HydrophobicContact CB-CZ3 4.35Å; P58-W60 HydrophobicContact CG-CH2 3.32Å; P58-W60 HydrophobicContact CG-CZ2 3.56Å; P58-W60 HydrophobicContact CG-CZ3 3.87Å | ||
| 59 | V | 97.1 | Very high | 92 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.9 | 178.5 | -178 | 0 | 0 | 0 | 0 | 108.7 | Q21 R61 | Q21-V59 HydrophobicContact CB-CB 4.32Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.95Å; V59-R61 HydrophobicContact CG1-CG 3.95Å; V59-R61 VanDerWaalsContact CG1-NE 3.33Å |
| 60 | W | 96.3 | Very high | 90.1 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -54.2 | -176.7 | -60 | -77.6 | 0 | 0 | 0 | 111.5 | V19 L20 A22 A36 T38 T49 S50 P58 E62 V86 | V19-W60 HydrophobicContact CG1-CD2 4.29Å; V19-W60 HydrophobicContact CG1-CE3 3.5Å; V19-W60 VanDerWaalsContact CG1-CE3 3.5Å; V19-W60 HydrophobicContact CG1-CZ3 3.89Å; L20-W60 PolarHBondContact O-N 2.9Å; A22-W60 HydrophobicContact CB-CH2 4.01Å; A22-W60 HydrophobicContact CB-CZ3 3.8Å; A36-W60 HydrophobicContact CB-CZ2 4.17Å; A36-W60 PolarHBondContact O-NE1 3.42Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.35Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.29Å; T49-W60 HydrophobicContact CG2-CB 4.38Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 2.86Å; S50-W60 PolarHBondContact O-NE1 2.93Å; P58-W60 HydrophobicContact CB-CD2 4.44Å; P58-W60 HydrophobicContact CB-CH2 3.89Å; P58-W60 HydrophobicContact CB-CZ2 3.65Å; P58-W60 HydrophobicContact CB-CZ3 4.35Å; P58-W60 HydrophobicContact CG-CH2 3.32Å; P58-W60 HydrophobicContact CG-CZ2 3.56Å; P58-W60 HydrophobicContact CG-CZ3 3.87Å; W60-E62 HydrophobicContact CB-CB 4.32Å; W60-E62 HydrophobicContact CB-CG 4.23Å; W60-E62 PolarHBondContact O-N 3.37Å; W60-V86 HydrophobicContact CH2-CG1 4.12Å |
| 61 | R | 95.6 | Very high | 87.9 | Confident | 133 Ų | 133 | 59.1 Ų | 59.1 | 50% | 0.502 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 38.4 | -174.5 | -52.4 | 175.8 | -175 | -80.4 | -11.1 | 112.1 | V19 L20 V59 | V19-R61 WeakPolarHBondContact O-CA 3.4Å; V19-R61 PolarHBondContact O-N 3.33Å; L20-R61 HydrophobicContact CD2-CB 4.46Å; L20-R61 HydrophobicContact CD2-CG 4.27Å; L20-R61 PolarHBondContact O-N 2.98Å; V59-R61 HydrophobicContact CG1-CG 3.95Å; V59-R61 VanDerWaalsContact CG1-NE 3.33Å |
| 62 | E | 95.6 | Very high | 85.8 | Confident | 36 Ų | 36 | 59 Ų | 59 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 154.4 | -178 | -73.7 | 174 | -114.5 | 0 | 0 | 110.8 | T18 V19 T49 S50 W60 | T18-E62 CarbonylContact C-O 3.45Å; T18-E62 VanDerWaalsContact CA-O 3.27Å; T18-E62 WeakPolarHBondContact CA-O 3.43Å; T18-E62 VanDerWaalsContact CG2-O 3.31Å; T18-E62 WeakPolarHBondContact CG2-O 3.34Å; V19-E62 PolarHBondContact N-O 3.35Å; V19-E62 PolarHBondContact O-N 3.16Å; V19-E62 VanDerWaalsContact O-N 3.15Å; T49-E62 WeakPolarHBondContact CA-OE2 3.3Å; T49-E62 HydrophobicContact CG2-CB 4.09Å; S50-E62 WeakPolarHBondContact CB-OE1 3.3Å; S50-E62 VanDerWaalsContact N-CD 3.31Å; S50-E62 PolarHBondContact N-OE1 3.15Å; S50-E62 PolarHBondContact N-OE2 2.64Å; S50-E62 PolarHBondContact OG-OE1 3.15Å; W60-E62 HydrophobicContact CB-CB 4.32Å; W60-E62 HydrophobicContact CB-CG 4.23Å; W60-E62 PolarHBondContact O-N 3.37Å |
| 63 | E | 94.6 | Very high | 83.6 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.1 | -168.2 | -178.8 | -172.1 | 129.2 | 0 | 0 | 110.4 | Q16 T18 | Q16-E63 HydrophobicContact CG-CG 3.78Å; Q16-E63 PolarHBondContact NE2-OE1 3.32Å; Q16-E63 VanDerWaalsContact NE2-OE1 3.17Å; Q16-E63 PolarHBondContact NE2-OE2 3.11Å; T18-E63 HydrophobicContact CG2-CB 4.46Å |
| 64 | A | 94 | Very high | 81.5 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | A17 I40 Y47 F66 | A17-A64 PolarHBondContact N-O 3.1Å; A17-A64 PolarHBondContact O-N 3.21Å; I40-A64 HydrophobicContact CB-CB 4.49Å; I40-A64 HydrophobicContact CD1-CB 4.07Å; I40-A64 HydrophobicContact CG2-CB 4.32Å; Y47-A64 HydrophobicContact CD1-CB 4.02Å; Y47-A64 HydrophobicContact CD2-CB 4.3Å; Y47-A64 HydrophobicContact CG-CB 3.74Å; A64-F66 HydrophobicContact CB-CD2 4.34Å; A64-F66 HydrophobicContact CB-CE1 4.45Å; A64-F66 HydrophobicContact CB-CE2 3.48Å; A64-F66 VanDerWaalsContact CB-CE2 3.48Å; A64-F66 HydrophobicContact CB-CZ 3.55Å |
| 65 | S | 92.1 | Very high | 79.4 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.2 | 167 | -75.3 | 0 | 0 | 0 | 0 | 108.8 | V15 | V15-S65 WeakPolarHBondContact O-CA 3.38Å |
| 66 | F | 90 | Very high | 77.7 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.3 | -179.9 | -55.8 | -89 | 0 | 0 | 0 | 109.8 | H14 V15 A17 I40 L42 E45 A64 L82 | H14-F66 VanDerWaalsContact CA-O 3.31Å; H14-F66 WeakPolarHBondContact CA-O 3.31Å; V15-F66 HydrophobicContact CG1-CB 3.99Å; V15-F66 HydrophobicContact CG1-CD2 4.33Å; V15-F66 PolarHBondContact N-O 3.35Å; V15-F66 PolarHBondContact O-N 2.76Å; A17-F66 HydrophobicContact CB-CE2 4.26Å; I40-F66 HydrophobicContact CB-CZ 4.12Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.53Å; L42-F66 HydrophobicContact CB-CB 4.35Å; L42-F66 HydrophobicContact CB-CD1 3.84Å; L42-F66 HydrophobicContact CB-CD2 4.36Å; L42-F66 HydrophobicContact CB-CE1 4.17Å; L42-F66 HydrophobicContact CB-CG 3.93Å; L42-F66 HydrophobicContact CD2-CB 3.62Å; L42-F66 HydrophobicContact CD2-CD2 4.43Å; L42-F66 HydrophobicContact CD2-CG 4.02Å; E45-F66 HydrophobicContact CB-CD1 3.68Å; E45-F66 HydrophobicContact CB-CE1 3.99Å; E45-F66 WeakPolarHBondContact OE2-CD1 3.09Å; A64-F66 HydrophobicContact CB-CD2 4.34Å; A64-F66 HydrophobicContact CB-CE1 4.45Å; A64-F66 HydrophobicContact CB-CE2 3.48Å; A64-F66 VanDerWaalsContact CB-CE2 3.48Å; A64-F66 HydrophobicContact CB-CZ 3.55Å; F66-L82 HydrophobicContact CE2-CD1 4.26Å |
| 67 | E | 86.1 | Confident | 76.4 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 54% | 0.537 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.1 | 172 | -172.3 | 165.3 | -150.1 | 0 | 0 | 110.3 | H14 | H14-E67 IonicContact CE1-OE1 2.68Å |
| 68 | L | 81.2 | Confident | 74.9 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | trans | -97.5 | 112.7 | 172 | -62.3 | 178.1 | 0 | 0 | 0 | 107.9 | P12 T13 V15 L42 G70 Y80 L105 F142 | P12-L68 HydrophobicContact CB-CD1 4.01Å; P12-L68 HydrophobicContact CG-CD1 3.92Å; T13-L68 PolarHBondContact O-N 3.49Å; V15-L68 HydrophobicContact CB-CD1 4.28Å; V15-L68 HydrophobicContact CB-CD2 4.4Å; V15-L68 HydrophobicContact CB-CG 4.39Å; V15-L68 HydrophobicContact CG1-CD2 3.81Å; V15-L68 HydrophobicContact CG1-CG 4.21Å; L42-L68 HydrophobicContact CD2-CD2 3.84Å; L68-G70 PolarHBondContact O-N 3.37Å; L68-Y80 HydrophobicContact CD2-CD1 4.22Å; L68-Y80 HydrophobicContact CD2-CE1 4.31Å; L68-L105 HydrophobicContact CD2-CD1 4.26Å; L68-F142 HydrophobicContact CD1-CD1 4.42Å | ||
| 69 | P | 65.3 | Low | 73.6 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | trans | -59 | 127.9 | 174.2 | 24.4 | -31.7 | 0 | 0 | 0 | 108.9 | V79 Y80 | P69-V79 HydrophobicContact CG-CG1 3.63Å; P69-Y80 PolarHBondContact O-OH 3.43Å | ||
| 70 | G | 57.2 | Low | 72.8 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -60 | 152.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L68 | L68-G70 PolarHBondContact O-N 3.37Š|
| 71 | L | 51.3 | Low | 72.4 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 48% | 0.482 | 40% | 0.4 | S | S | . | . | trans | 69.8 | 115.9 | -173 | -64.5 | 166.9 | 0 | 0 | 0 | 114.8 | L73 Y80 F152 | L71-L73 PolarHBondContact O-N 3.04Å; L71-Y80 PolarHBondContact O-OH 3.22Å; L71-F152 HydrophobicContact CD1-CE1 4.46Å | ||
| 72 | L | 51.4 | Low | 72.3 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 18% | 0.183 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -70.2 | 28 | 171 | -71.1 | 169.6 | 0 | 0 | 0 | 113.3 | F11 Y80 N106 F109 | F11-L72 HydrophobicContact CD1-CB 4.49Å; F11-L72 HydrophobicContact CD1-CD1 4.01Å; F11-L72 HydrophobicContact CD1-CG 4.35Å; F11-L72 HydrophobicContact CE1-CB 4.41Å; F11-L72 HydrophobicContact CE1-CD1 4.36Å; L72-Y80 HydrophobicContact CD2-CD1 3.85Å; L72-Y80 HydrophobicContact CD2-CE1 3.54Å; L72-Y80 HydrophobicContact CD2-CE2 4.43Å; L72-Y80 HydrophobicContact CD2-CG 4.41Å; L72-N106 WeakPolarHBondContact CD2-OD1 3.3Å; L72-F109 HydrophobicContact CD1-CD1 3.45Å; L72-F109 VanDerWaalsContact CD1-CD1 3.45Å; L72-F109 HydrophobicContact CD1-CE1 3.76Å; L72-F109 HydrophobicContact CD1-CG 4.38Å |
| 73 | L | 51 | Low | 72.2 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -119.5 | 129.9 | -178 | -103 | 65.7 | 0 | 0 | 0 | 110.6 | L71 G75 | L71-L73 PolarHBondContact O-N 3.04Å; L73-G75 VanDerWaalsContact C-N 3.26Å; L73-G75 PolarHBondContact O-N 2.85Å |
| 74 | E | 49.2 | Very low | 72.3 | Confident | 197 Ų | 197 | 60.2 Ų | 60.2 | 92% | 0.921 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 69.3 | -18.4 | 143.6 | -137.1 | 138.3 | -131.6 | 0 | 0 | 119.7 | ||
| 75 | G | 48.1 | Very low | 72.4 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -75.8 | -54.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | L73 | L73-G75 VanDerWaalsContact C-N 3.26Å; L73-G75 PolarHBondContact O-N 2.85Å |
| 76 | N | 56.4 | Low | 72.6 | Confident | 88 Ų | 88 | 58 Ų | 58 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | trans | -167.6 | 127.6 | 177.8 | -132.8 | -101.1 | 0 | 0 | 0 | 112.4 | V79 | N76-V79 HydrophobicContact CB-CG2 3.95Š| ||
| 77 | P | 62.2 | Low | 72.8 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -72.7 | -32.5 | 178.9 | 28.7 | -33.7 | 0 | 0 | 0 | 112.9 | V79 Y80 | P77-V79 PolarHBondContact O-N 3.15Å; P77-Y80 PolarHBondContact O-N 3.34Å; P77-Y80 VanDerWaalsContact O-N 3.15Å |
| 78 | E | 62.1 | Low | 73.3 | Confident | 146 Ų | 146 | 53.8 Ų | 53.8 | 68% | 0.682 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.2 | -176.4 | -60.1 | -165.1 | 156.7 | 0 | 0 | 113.7 | Y80 V81 | E78-Y80 PolarHBondContact O-N 3.22Å; E78-V81 PolarHBondContact O-N 3.49Å |
| 79 | V | 68.8 | Low | 73.9 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -66.7 | -26.9 | 178.9 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | L42 P69 N76 P77 V81 | L42-V79 VanDerWaalsContact CD1-O 3.25Å; L42-V79 WeakPolarHBondContact CD1-O 3.28Å; P69-V79 HydrophobicContact CG-CG1 3.63Å; N76-V79 HydrophobicContact CB-CG2 3.95Å; P77-V79 PolarHBondContact O-N 3.15Å; V79-V81 VanDerWaalsContact C-N 3.35Å |
| 80 | Y | 79.4 | Confident | 75.2 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 7% | 0.071 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -94.4 | 13.3 | -179.8 | -62 | -71.8 | 0 | 0 | 0 | 113.6 | L68 P69 L71 L72 P77 E78 L105 N106 | L68-Y80 HydrophobicContact CD2-CD1 4.22Å; L68-Y80 HydrophobicContact CD2-CE1 4.31Å; P69-Y80 PolarHBondContact O-OH 3.43Å; L71-Y80 PolarHBondContact O-OH 3.22Å; L72-Y80 HydrophobicContact CD2-CD1 3.85Å; L72-Y80 HydrophobicContact CD2-CE1 3.54Å; L72-Y80 HydrophobicContact CD2-CE2 4.43Å; L72-Y80 HydrophobicContact CD2-CG 4.41Å; P77-Y80 PolarHBondContact O-N 3.34Å; P77-Y80 VanDerWaalsContact O-N 3.15Å; E78-Y80 PolarHBondContact O-N 3.22Å; Y80-L105 VanDerWaalsContact O-CB 3.28Å; Y80-L105 WeakPolarHBondContact O-CB 3.21Å; Y80-L105 WeakPolarHBondContact O-CG 3.4Å; Y80-L105 PolarHBondContact O-N 3.44Å; Y80-N106 WeakPolarHBondContact CB-OD1 3.21Å; Y80-N106 VanDerWaalsContact CG-OD1 3.28Å |
| 81 | V | 89.2 | Confident | 76.7 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 105.9 | -178 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | E78 V79 S83 T102 | E78-V81 PolarHBondContact O-N 3.49Å; V79-V81 VanDerWaalsContact C-N 3.35Å; V81-S83 PolarHBondContact O-N 3.4Å; V81-T102 HydrophobicContact CG1-CG2 3.23Å |
| 82 | L | 92.3 | Very high | 78.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 116.6 | 174.5 | -178.4 | 68.2 | 0 | 0 | 0 | 109.7 | A17 I40 L42 F66 L84 I103 L105 I140 | A17-L82 HydrophobicContact CB-CD1 4.47Å; A17-L82 HydrophobicContact CB-CD2 4.13Å; I40-L82 HydrophobicContact CG2-CD1 3.86Å; L42-L82 HydrophobicContact CB-CD1 4.45Å; L42-L82 HydrophobicContact CD1-CB 4.3Å; F66-L82 HydrophobicContact CE2-CD1 4.26Å; L82-L84 HydrophobicContact CD1-CD2 4.5Å; L82-L84 HydrophobicContact CD2-CD2 4.47Å; L82-L84 HydrophobicContact CG-CD2 4.3Å; L82-L84 HydrophobicContact CG-CG 4.45Å; L82-I103 HydrophobicContact CB-CB 4.38Å; L82-I103 PolarHBondContact N-O 3.46Å; L82-I103 PolarHBondContact O-N 3.4Å; L82-L105 HydrophobicContact CB-CD1 4.46Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.17Å; L82-L105 HydrophobicContact CD2-CD2 4.28Å; L82-I140 HydrophobicContact CD2-CD1 3.94Å; L82-I140 HydrophobicContact CD2-CG1 4.39Å |
| 83 | S | 94.3 | Very high | 80.2 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.8 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | Q41 V81 Q100 | Q41-S83 PolarHBondContact N-O 3.05Å; Q41-S83 PolarHBondContact O-N 3.06Å; V81-S83 PolarHBondContact O-N 3.4Å; S83-Q100 PolarHBondContact OG-NE2 3.28Å |
| 84 | L | 95.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 113.4 | 177.6 | -58.3 | 174.9 | 0 | 0 | 0 | 108.5 | V19 I39 I40 L82 Q100 K101 I103 I136 V138 | V19-L84 HydrophobicContact CG2-CD2 4.17Å; I39-L84 CarbonylContact O-C 3.58Å; I39-L84 WeakPolarHBondContact O-CA 3.27Å; I40-L84 HydrophobicContact CB-CD2 4.19Å; I40-L84 HydrophobicContact CG1-CD2 4.12Å; I40-L84 HydrophobicContact CG2-CD2 3.71Å; L82-L84 HydrophobicContact CD1-CD2 4.5Å; L82-L84 HydrophobicContact CD2-CD2 4.47Å; L82-L84 HydrophobicContact CG-CD2 4.3Å; L82-L84 HydrophobicContact CG-CG 4.45Å; L84-Q100 CarbonylContact O-C 3.6Å; L84-Q100 VanDerWaalsContact O-CA 3.22Å; L84-Q100 WeakPolarHBondContact O-CA 3.36Å; L84-K101 HydrophobicContact CB-CB 4.5Å; L84-K101 PolarHBondContact N-O 3.48Å; L84-K101 PolarHBondContact O-N 3.36Å; L84-I103 HydrophobicContact CD1-CD1 3.93Å; L84-I136 HydrophobicContact CD1-CG2 4.48Å; L84-V138 HydrophobicContact CD1-CB 4.43Å; L84-V138 HydrophobicContact CD1-CG1 4.18Å; L84-V138 HydrophobicContact CD1-CG2 3.53Å |
| 85 | T | 96.3 | Very high | 84.4 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 111.5 | -178.7 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | I39 M87 F97 G99 | I39-T85 WeakPolarHBondContact CB-O 3.34Å; I39-T85 PolarHBondContact N-O 3.18Å; I39-T85 PolarHBondContact O-N 3.38Å; T85-M87 HydrophobicContact CG2-CG 4.17Å; T85-M87 HydrophobicContact CG2-SD 3.92Å; T85-F97 HydrophobicContact CG2-CD2 4.03Å; T85-F97 HydrophobicContact CG2-CE2 3.88Å; T85-G99 CarbonylContact C-O 3.57Å |
| 86 | V | 96.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.9 | 177.9 | -165.4 | 0 | 0 | 0 | 0 | 109.4 | L25 Y37 T38 W60 L98 G99 L122 I136 | L25-V86 HydrophobicContact CD1-CG1 3.89Å; L25-V86 HydrophobicContact CD2-CG1 4.38Å; Y37-V86 WeakPolarHBondContact O-CA 3.2Å; T38-V86 HydrophobicContact CG2-CG2 4.48Å; W60-V86 HydrophobicContact CH2-CG1 4.12Å; V86-L98 HydrophobicContact CB-CB 4.25Å; V86-L98 HydrophobicContact CG1-CB 4.14Å; V86-L98 HydrophobicContact CG1-CD1 4.12Å; V86-L98 WeakPolarHBondContact O-CA 3.48Å; V86-L98 WeakPolarHBondContact O-CB 3.41Å; V86-L98 PolarHBondContact O-N 3.28Å; V86-G99 PolarHBondContact N-O 2.96Å; V86-G99 PolarHBondContact O-N 2.82Å; V86-G99 VanDerWaalsContact O-N 3.1Å; V86-L122 HydrophobicContact CB-CD1 4.34Å; V86-L122 HydrophobicContact CG2-CD1 3.81Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å |
| 87 | M | 95.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 58 Ų | 58 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.3 | -175.1 | -65.5 | -64 | -61.5 | 0 | 0 | 110.2 | A36 Y37 I39 T85 D95 F97 | A36-M87 WeakPolarHBondContact CA-O 3.45Å; Y37-M87 HydrophobicContact CD1-CB 4.13Å; Y37-M87 HydrophobicContact CD2-CB 4.47Å; Y37-M87 HydrophobicContact CE1-CB 3.61Å; Y37-M87 HydrophobicContact CE2-CB 3.99Å; Y37-M87 HydrophobicContact CE2-CG 4.33Å; Y37-M87 PolarHBondContact N-O 3.27Å; Y37-M87 PolarHBondContact O-N 3.38Å; I39-M87 HydrophobicContact CD1-CG 4.07Å; T85-M87 HydrophobicContact CG2-CG 4.17Å; T85-M87 HydrophobicContact CG2-SD 3.92Å; M87-D95 HydrophobicContact CE-CB 3.61Å; M87-D95 WeakPolarHBondContact CE-O 3.28Å; M87-F97 HydrophobicContact SD-CB 4.19Å; M87-F97 HydrophobicContact SD-CD2 4.09Å |
| 88 | H | 95.5 | Very high | 89.7 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.1 | 165.7 | 168.1 | 31.3 | 0 | 0 | 0 | 109.1 | G29 D35 S90 D95 K96 L98 | G29-H88 WeakPolarHBondContact CA-NE2 3.27Å; G29-H88 PolarHBondContact N-NE2 3.43Å; D35-H88 PolarHBondContact N-CE1 3.44Å; D35-H88 PolarHBondContact N-ND1 3.1Å; D35-H88 CarbonylContact O-C 3.55Å; D35-H88 VanDerWaalsContact O-CA 3.25Å; D35-H88 WeakPolarHBondContact O-CA 3.33Å; D35-H88 PolarHBondContact O-ND1 2.88Å; D35-H88 IonicContact OD2-CE1 2.64Å; D35-H88 PolarHBondContact OD2-CE1 2.86Å; H88-S90 PolarHBondContact O-N 3.5Å; H88-D95 CarbonylContact O-C 3.58Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.29Å; H88-K96 HydrophobicContact CB-CB 4.35Å; H88-K96 PolarHBondContact N-O 2.87Å; H88-K96 PolarHBondContact O-N 2.74Å; H88-L98 HydrophobicContact CB-CD1 3.95Å; H88-L98 HydrophobicContact CB-CD2 3.94Å; H88-L98 HydrophobicContact CB-CG 3.88Å |
| 89 | R | 95.1 | Very high | 91.3 | Very high | 98 Ų | 98 | 46.4 Ų | 46.4 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | trans | -64.4 | 113.4 | 172.5 | -178.9 | 167.8 | 68.9 | -177.5 | 1.7 | 110.4 | D35 Y37 V51 E53 D95 | D35-R89 HydrophobicContact CB-CB 4.49Å; D35-R89 PolarHBondContact O-N 3.42Å; Y37-R89 HydrophobicContact CD1-CB 4.25Å; Y37-R89 HydrophobicContact CE1-CB 4.18Å; V51-R89 HydrophobicContact CG1-CB 4.11Å; E53-R89 IonicContact OE1-CZ 2.92Å; E53-R89 IonicContact OE1-NH2 3.75Å; E53-R89 PolarHBondContact OE1-NH2 3.13Å; R89-D95 VanDerWaalsContact CA-OD1 3.29Å; R89-D95 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 90 | S | 92.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 46 Ų | 46 | 12% | 0.119 | 25% | 0.249 | C | C | . | . | trans | -80.6 | 128.3 | 176.4 | -76.1 | 0 | 0 | 0 | 0 | 110.7 | H88 V92 M94 D95 | H88-S90 PolarHBondContact O-N 3.5Å; S90-V92 PolarHBondContact O-N 3.06Å; S90-M94 VanDerWaalsContact CB-O 3.29Å; S90-M94 WeakPolarHBondContact CB-O 3.45Å; S90-M94 PolarHBondContact OG-O 2.86Å; S90-D95 PolarHBondContact N-OD1 3.13Å | ||
| 91 | L | 87.2 | Confident | 93.2 | Very high | 143 Ų | 143 | 47.2 Ų | 47.2 | 75% | 0.749 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -63.6 | -24.7 | 172 | -68 | 175.5 | 0 | 0 | 0 | 113.3 | ||
| 92 | V | 88.2 | Confident | 93.4 | Very high | 126 Ų | 126 | 48.7 Ų | 48.7 | 76% | 0.764 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -144.7 | 131.5 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | S90 | S90-V92 PolarHBondContact O-N 3.06Š|
| 93 | G | 89.3 | Confident | 93.4 | Very high | 64 Ų | 64 | 49 Ų | 49 | 66% | 0.66 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 80.9 | -162.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 94 | M | 92.6 | Very high | 93.1 | Very high | 174 Ų | 174 | 50.9 Ų | 50.9 | 86% | 0.857 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -79 | 148.9 | -174.2 | -59 | 178.8 | 78 | 0 | 0 | 113 | S90 | S90-M94 VanDerWaalsContact CB-O 3.29Å; S90-M94 WeakPolarHBondContact CB-O 3.45Å; S90-M94 PolarHBondContact OG-O 2.86Å |
| 95 | D | 94.5 | Very high | 92.7 | Very high | 55 Ų | 55 | 51 Ų | 51 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.9 | 176.1 | -74 | -5.1 | 0 | 0 | 0 | 113.1 | Y37 M87 H88 R89 S90 | Y37-D95 VanDerWaalsContact CE1-OD2 3.24Å; Y37-D95 WeakPolarHBondContact CE1-OD2 3.49Å; Y37-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y37-D95 PolarHBondContact OH-OD2 3Å; M87-D95 HydrophobicContact CE-CB 3.61Å; M87-D95 WeakPolarHBondContact CE-O 3.28Å; H88-D95 CarbonylContact O-C 3.58Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.29Å; R89-D95 VanDerWaalsContact CA-OD1 3.29Å; R89-D95 WeakPolarHBondContact CA-OD1 3.5Å; S90-D95 PolarHBondContact N-OD1 3.13Å |
| 96 | K | 92.6 | Very high | 92 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 39% | 0.391 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.5 | -174 | -57.6 | 178 | -161.8 | 173.3 | 0 | 110.4 | K28 H88 L98 | K28-K96 HydrophobicContact CB-CB 4.31Å; K28-K96 HydrophobicContact CB-CD 4.02Å; K28-K96 WeakPolarHBondContact O-CD 3.03Å; K28-K96 PolarHBondContact O-NZ 3.37Å; H88-K96 HydrophobicContact CB-CB 4.35Å; H88-K96 PolarHBondContact N-O 2.87Å; H88-K96 PolarHBondContact O-N 2.74Å; K96-L98 PolarHBondContact O-N 2.86Å |
| 97 | F | 94 | Very high | 91.3 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 115.4 | 178 | 177.4 | -91.8 | 0 | 0 | 0 | 111.8 | T85 M87 Q100 K125 R133 | T85-F97 HydrophobicContact CG2-CD2 4.03Å; T85-F97 HydrophobicContact CG2-CE2 3.88Å; M87-F97 HydrophobicContact SD-CB 4.19Å; M87-F97 HydrophobicContact SD-CD2 4.09Å; F97-Q100 HydrophobicContact CE2-CB 3.8Å; F97-Q100 HydrophobicContact CZ-CB 3.68Å; F97-K125 HydrophobicContact CD1-CG 4.16Å; F97-K125 HydrophobicContact CD2-CD 4.27Å; F97-K125 VanDerWaalsContact CD2-CE 3.4Å; F97-K125 HydrophobicContact CD2-CG 3.89Å; F97-K125 HydrophobicContact CE1-CG 3.89Å; F97-K125 HydrophobicContact CE2-CD 4.35Å; F97-K125 HydrophobicContact CE2-CG 3.54Å; F97-K125 HydrophobicContact CG-CG 4.17Å; F97-K125 HydrophobicContact CZ-CB 4.44Å; F97-K125 HydrophobicContact CZ-CG 3.55Å; F97-R133 PolarHBondContact O-NH1 3.03Å |
| 98 | L | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -47.1 | 175.2 | -64 | -177.2 | 0 | 0 | 0 | 111.3 | L25 Q26 K28 N34 A36 V86 H88 K96 R133 | L25-L98 HydrophobicContact CD1-CD1 3.97Å; Q26-L98 WeakPolarHBondContact O-CD2 3.46Å; K28-L98 HydrophobicContact CB-CD2 3.98Å; K28-L98 HydrophobicContact CG-CD2 3.64Å; N34-L98 HydrophobicContact CB-CD1 4Å; A36-L98 HydrophobicContact CB-CD1 4.01Å; V86-L98 HydrophobicContact CB-CB 4.25Å; V86-L98 HydrophobicContact CG1-CB 4.14Å; V86-L98 HydrophobicContact CG1-CD1 4.12Å; V86-L98 WeakPolarHBondContact O-CA 3.48Å; V86-L98 WeakPolarHBondContact O-CB 3.41Å; V86-L98 PolarHBondContact O-N 3.28Å; H88-L98 HydrophobicContact CB-CD1 3.95Å; H88-L98 HydrophobicContact CB-CD2 3.94Å; H88-L98 HydrophobicContact CB-CG 3.88Å; K96-L98 PolarHBondContact O-N 2.86Å; L98-R133 WeakPolarHBondContact O-CD 3.37Å; L98-R133 PolarHBondContact O-NH1 3.23Å |
| 99 | G | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | 168.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | T85 V86 | T85-G99 CarbonylContact C-O 3.57Å; V86-G99 PolarHBondContact N-O 2.96Å; V86-G99 PolarHBondContact O-N 2.82Å; V86-G99 VanDerWaalsContact O-N 3.1Å |
| 100 | Q | 94.8 | Very high | 88.8 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.7 | 176 | -178 | 173.5 | 12.1 | 0 | 0 | 111.1 | S83 L84 F97 E123 | S83-Q100 PolarHBondContact OG-NE2 3.28Å; L84-Q100 CarbonylContact O-C 3.6Å; L84-Q100 VanDerWaalsContact O-CA 3.22Å; L84-Q100 WeakPolarHBondContact O-CA 3.36Å; F97-Q100 HydrophobicContact CE2-CB 3.8Å; F97-Q100 HydrophobicContact CZ-CB 3.68Å; Q100-E123 PolarHBondContact N-O 3.11Å; Q100-E123 WeakPolarHBondContact O-CA 3.5Å; Q100-E123 WeakPolarHBondContact O-CB 3.28Å; Q100-E123 PolarHBondContact O-N 2.81Å |
| 101 | K | 94.8 | Very high | 88 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 19% | 0.187 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.1 | 162.9 | -172.8 | 72.9 | -160.1 | 172 | 0 | 110.2 | L84 I103 F120 S121 L122 E123 | L84-K101 HydrophobicContact CB-CB 4.5Å; L84-K101 PolarHBondContact N-O 3.48Å; L84-K101 PolarHBondContact O-N 3.36Å; K101-I103 HydrophobicContact CG-CD1 4.27Å; K101-I103 HydrophobicContact CG-CG1 3.82Å; K101-F120 HydrophobicContact CD-CB 4.12Å; K101-F120 HydrophobicContact CG-CB 3.9Å; K101-F120 HydrophobicContact CG-CD1 4.44Å; K101-F120 HydrophobicContact CG-CG 4.45Å; K101-S121 WeakPolarHBondContact CD-O 3.48Å; K101-L122 HydrophobicContact CB-CD2 4.34Å; K101-E123 IonicContact NZ-OE1 3.06Å; K101-E123 PolarHBondContact NZ-OE1 3.23Å |
| 102 | T | 93.5 | Very high | 87.1 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 47% | 0.466 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.6 | 170.3 | -52.8 | 0 | 0 | 0 | 0 | 108.4 | V81 | V81-T102 HydrophobicContact CG1-CG2 3.23Å |
| 103 | I | 90.9 | Very high | 85.8 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.2 | -177.2 | -55 | 175.6 | 0 | 0 | 0 | 108.5 | L82 L84 K101 M108 F120 I140 | L82-I103 HydrophobicContact CB-CB 4.38Å; L82-I103 PolarHBondContact N-O 3.46Å; L82-I103 PolarHBondContact O-N 3.4Å; L84-I103 HydrophobicContact CD1-CD1 3.93Å; K101-I103 HydrophobicContact CG-CD1 4.27Å; K101-I103 HydrophobicContact CG-CG1 3.82Å; I103-M108 HydrophobicContact CG2-CG 3.63Å; I103-M108 HydrophobicContact CG2-SD 4.22Å; I103-F120 HydrophobicContact CD1-CD1 3.81Å; I103-F120 HydrophobicContact CD1-CD2 4.27Å; I103-F120 HydrophobicContact CD1-CE1 3.7Å; I103-F120 HydrophobicContact CD1-CE2 4.19Å; I103-F120 HydrophobicContact CD1-CG 4.1Å; I103-F120 HydrophobicContact CD1-CZ 3.9Å; I103-F120 HydrophobicContact CG1-CD1 4.22Å; I103-F120 HydrophobicContact CG1-CE1 4.22Å; I103-I140 HydrophobicContact CD1-CD1 4.09Å; I103-I140 HydrophobicContact CG2-CD1 4.16Å |
| 104 | N | 88.9 | Confident | 84.8 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 115.1 | 173.1 | -176.5 | -6.9 | 0 | 0 | 0 | 109.6 | N106 E107 M108 | N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 3.29Å; N104-N106 WeakPolarHBondContact OD1-CB 3.3Å; N104-N106 PolarHBondContact OD1-N 3.3Å; N104-E107 HydrophobicContact CB-CB 4.28Å; N104-E107 HydrophobicContact CB-CG 4.16Å; N104-E107 WeakPolarHBondContact CB-OE1 3.33Å; N104-E107 PolarHBondContact ND2-OE1 2.84Å; N104-E107 PolarHBondContact O-N 3.01Å; N104-M108 WeakPolarHBondContact O-CG 3.2Å; N104-M108 PolarHBondContact O-N 3.04Å |
| 105 | L | 87 | Confident | 84 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.2 | -26 | -178.1 | -65.4 | 179.9 | 0 | 0 | 0 | 112.9 | V15 L42 L68 Y80 L82 M108 F109 I140 F142 | V15-L105 HydrophobicContact CB-CD1 4.4Å; V15-L105 HydrophobicContact CG1-CD1 3.87Å; V15-L105 HydrophobicContact CG2-CD1 4.25Å; V15-L105 HydrophobicContact CG2-CD2 4.3Å; L42-L105 HydrophobicContact CD1-CD1 3.66Å; L42-L105 HydrophobicContact CD2-CD1 3.95Å; L42-L105 HydrophobicContact CG-CD1 4.5Å; L68-L105 HydrophobicContact CD2-CD1 4.26Å; Y80-L105 VanDerWaalsContact O-CB 3.28Å; Y80-L105 WeakPolarHBondContact O-CB 3.21Å; Y80-L105 WeakPolarHBondContact O-CG 3.4Å; Y80-L105 PolarHBondContact O-N 3.44Å; L82-L105 HydrophobicContact CB-CD1 4.46Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.17Å; L82-L105 HydrophobicContact CD2-CD2 4.28Å; L105-M108 PolarHBondContact O-N 2.85Å; L105-F109 VanDerWaalsContact O-CB 3.3Å; L105-F109 WeakPolarHBondContact O-CB 3.33Å; L105-F109 PolarHBondContact O-N 3.19Å; L105-I140 HydrophobicContact CD2-CD1 4.44Å; L105-I140 HydrophobicContact CD2-CG2 4.15Å; L105-F142 HydrophobicContact CB-CE1 4.2Å; L105-F142 HydrophobicContact CB-CZ 4.18Å; L105-F142 HydrophobicContact CD2-CE1 4.47Å; L105-F142 HydrophobicContact CD2-CZ 4.23Å; L105-F142 WeakPolarHBondContact O-CZ 3.34Å |
| 106 | N | 81.4 | Confident | 83.3 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -46.3 | 178.7 | -63.6 | 11.9 | 0 | 0 | 0 | 110.3 | L72 Y80 N104 M108 F109 D110 | L72-N106 WeakPolarHBondContact CD2-OD1 3.3Å; Y80-N106 WeakPolarHBondContact CB-OD1 3.21Å; Y80-N106 VanDerWaalsContact CG-OD1 3.28Å; N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 3.29Å; N104-N106 WeakPolarHBondContact OD1-CB 3.3Å; N104-N106 PolarHBondContact OD1-N 3.3Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 2.89Å; N106-F109 PolarHBondContact O-N 3.35Å; N106-F109 VanDerWaalsContact O-N 3.15Å; N106-D110 PolarHBondContact O-N 3.23Å |
| 107 | E | 81.8 | Confident | 83.3 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.4 | -34.9 | 173.7 | -70.6 | 169.5 | -132.7 | 0 | 0 | 112.6 | N104 N111 | N104-E107 HydrophobicContact CB-CB 4.28Å; N104-E107 HydrophobicContact CB-CG 4.16Å; N104-E107 WeakPolarHBondContact CB-OE1 3.33Å; N104-E107 PolarHBondContact ND2-OE1 2.84Å; N104-E107 PolarHBondContact O-N 3.01Å; E107-N111 WeakPolarHBondContact O-CB 3.43Å; E107-N111 PolarHBondContact O-N 3.41Å |
| 108 | M | 81.9 | Confident | 83.3 | Confident | 28 Ų | 28 | 69 Ų | 69 | 14% | 0.138 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.2 | -30.9 | 175.2 | -62.7 | -54.7 | 87 | 0 | 0 | 112.5 | I103 N104 L105 N106 R114 F142 | I103-M108 HydrophobicContact CG2-CG 3.63Å; I103-M108 HydrophobicContact CG2-SD 4.22Å; N104-M108 WeakPolarHBondContact O-CG 3.2Å; N104-M108 PolarHBondContact O-N 3.04Å; L105-M108 PolarHBondContact O-N 2.85Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 2.89Å; M108-R114 VanDerWaalsContact CE-CZ 3.48Å; M108-F142 HydrophobicContact CB-CE2 4.21Å; M108-F142 HydrophobicContact CB-CZ 4.23Å |
| 109 | F | 77.6 | Confident | 83.4 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76.8 | -44.7 | -178.2 | 176.6 | -114.2 | 0 | 0 | 0 | 112.8 | W10 P12 L72 L105 N106 N111 F142 | W10-F109 AromaticContact CE3-CE2 3.75Å; W10-F109 HydrophobicContact CE3-CE2 3.75Å; W10-F109 AromaticContact CE3-CZ 3.97Å; W10-F109 HydrophobicContact CE3-CZ 3.97Å; W10-F109 AromaticContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CE2 3.66Å; W10-F109 HydrophobicContact CZ3-CZ 4.3Å; W10-F109 VanDerWaalsContact O-CZ 3.27Å; W10-F109 WeakPolarHBondContact O-CZ 3.39Å; P12-F109 HydrophobicContact CG-CD2 4.19Å; P12-F109 HydrophobicContact CG-CE2 4.26Å; P12-F109 HydrophobicContact CG-CG 4.48Å; L72-F109 HydrophobicContact CD1-CD1 3.45Å; L72-F109 VanDerWaalsContact CD1-CD1 3.45Å; L72-F109 HydrophobicContact CD1-CE1 3.76Å; L72-F109 HydrophobicContact CD1-CG 4.38Å; L105-F109 VanDerWaalsContact O-CB 3.3Å; L105-F109 WeakPolarHBondContact O-CB 3.33Å; L105-F109 PolarHBondContact O-N 3.19Å; N106-F109 PolarHBondContact O-N 3.35Å; N106-F109 VanDerWaalsContact O-N 3.15Å; F109-N111 VanDerWaalsContact C-N 3.32Å; F109-F142 HydrophobicContact CB-CD2 4.4Å; F109-F142 HydrophobicContact CB-CE1 4.17Å; F109-F142 HydrophobicContact CB-CE2 3.87Å; F109-F142 HydrophobicContact CB-CZ 3.75Å; F109-F142 HydrophobicContact CD2-CB 4.5Å; F109-F142 HydrophobicContact CD2-CD1 4.39Å; F109-F142 AromaticContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CE2 4.28Å; F109-F142 HydrophobicContact CD2-CG 4.02Å |
| 110 | D | 74 | Confident | 83.4 | Confident | 93 Ų | 93 | 74.2 Ų | 74.2 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.3 | -28.3 | 176.8 | -78.9 | -45.3 | 0 | 0 | 0 | 112.2 | K9 N106 K112 | K9-D110 WeakPolarHBondContact CE-OD1 3.32Å; K9-D110 IonicContact NZ-OD1 3.82Å; K9-D110 PolarHBondContact NZ-OD1 3.46Å; K9-D110 IonicContact NZ-OD2 2.76Å; N106-D110 PolarHBondContact O-N 3.23Å; D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 3.43Å |
| 111 | N | 75.7 | Confident | 83.4 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | trans | -82.4 | 64.7 | 178.8 | -162.9 | -17.9 | 0 | 0 | 0 | 113 | E107 F109 Q113 R114 | E107-N111 WeakPolarHBondContact O-CB 3.43Å; E107-N111 PolarHBondContact O-N 3.41Å; F109-N111 VanDerWaalsContact C-N 3.32Å; N111-Q113 PolarHBondContact O-N 2.97Å; N111-R114 HydrophobicContact CB-CG 4.4Å; N111-R114 PolarHBondContact ND2-NE 3.34Å; N111-R114 PolarHBondContact O-N 3.11Å; N111-R114 VanDerWaalsContact O-N 3.11Å | ||
| 112 | K | 68.3 | Low | 83.4 | Confident | 167 Ų | 167 | 74.5 Ų | 74.5 | 73% | 0.726 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -10.6 | -177.6 | -65.9 | -178.4 | 179.7 | -179.7 | 0 | 116.2 | D110 | D110-K112 VanDerWaalsContact C-N 3.26Å; D110-K112 PolarHBondContact O-N 3.43Å |
| 113 | Q | 61.3 | Low | 83.3 | Confident | 181 Ų | 181 | 74.6 Ų | 74.6 | 85% | 0.846 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -5.6 | 179.3 | -64.4 | -68.3 | 3.7 | 0 | 0 | 113.5 | N111 | N111-Q113 PolarHBondContact O-N 2.97Š|
| 114 | R | 68.6 | Low | 83.1 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -70.9 | 155.5 | 174.9 | -72 | -165.7 | 179.1 | -142.3 | 4.7 | 112.3 | M108 N111 | M108-R114 VanDerWaalsContact CE-CZ 3.48Å; N111-R114 HydrophobicContact CB-CG 4.4Å; N111-R114 PolarHBondContact ND2-NE 3.34Å; N111-R114 PolarHBondContact O-N 3.11Å; N111-R114 VanDerWaalsContact O-N 3.11Å |
| 115 | K | 74.7 | Confident | 82.8 | Confident | 160 Ų | 160 | 78.1 Ų | 78.1 | 70% | 0.696 | 37% | 0.37 | S | S | * | . | trans | -69.6 | 145.2 | 170.2 | -64.2 | 173.1 | -176.9 | 172 | 0 | 108.6 | T117 | K115-T117 VanDerWaalsContact CB-O 3.27Å; K115-T117 WeakPolarHBondContact CB-O 3.3Å; K115-T117 PolarHBondContact O-N 3.4Å | ||
| 116 | K | 80.6 | Confident | 82.1 | Confident | 140 Ų | 140 | 83.7 Ų | 83.7 | 61% | 0.609 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -61.6 | -30.2 | 172.4 | -65.8 | -174.6 | 176.5 | -172.6 | 0 | 112 | S139 I140 | K116-S139 CarbonylContact O-C 3.48Å; K116-S139 WeakPolarHBondContact O-CA 3.21Å; K116-S139 PolarHBondContact O-OG 3.1Å; K116-I140 PolarHBondContact O-N 3.06Å |
| 117 | T | 92.8 | Very high | 81.6 | Confident | 51 Ų | 51 | 85.5 Ų | 85.5 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.9 | 176.3 | -48.7 | 0 | 0 | 0 | 0 | 109.7 | L20 K115 E137 V138 S139 | L20-T117 HydrophobicContact CD1-CG2 3.51Å; K115-T117 VanDerWaalsContact CB-O 3.27Å; K115-T117 WeakPolarHBondContact CB-O 3.3Å; K115-T117 PolarHBondContact O-N 3.4Å; T117-E137 HydrophobicContact CG2-CG 3.88Å; T117-V138 WeakPolarHBondContact CA-O 3.44Å; T117-S139 PolarHBondContact OG1-OG 3.33Å |
| 118 | D | 92.9 | Very high | 81.3 | Confident | 45 Ų | 45 | 87.4 Ų | 87.4 | 24% | 0.241 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 162.6 | 178.1 | -92.4 | -34.1 | 0 | 0 | 0 | 111.4 | F120 V138 | D118-F120 HydrophobicContact CB-CE2 3.9Å; D118-F120 HydrophobicContact CB-CZ 3.99Å; D118-F120 WeakPolarHBondContact O-CD2 3.43Å; D118-F120 WeakPolarHBondContact O-CE2 3.36Å; D118-V138 PolarHBondContact N-O 3.38Å; D118-V138 VanDerWaalsContact N-O 3.1Å; D118-V138 PolarHBondContact O-N 3.36Å |
| 119 | W | 95.3 | Very high | 80.9 | Confident | 86 Ų | 86 | 95 Ų | 95 | 33% | 0.326 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.4 | 174 | -78.3 | 86.9 | 0 | 0 | 0 | 111.2 | Q21 R135 E137 | Q21-W119 HydrophobicContact CG-CH2 4Å; Q21-W119 HydrophobicContact CG-CZ2 4.31Å; W119-R135 HydrophobicContact CE3-CB 3.88Å; W119-R135 HydrophobicContact CE3-CG 3.68Å; W119-R135 VanDerWaalsContact CZ2-NH2 3.33Å; W119-R135 HydrophobicContact CZ3-CB 4.3Å; W119-R135 HydrophobicContact CZ3-CG 3.76Å; W119-R135 VanDerWaalsContact CZ3-NE 3.33Å; W119-E137 HydrophobicContact CD2-CB 3.71Å; W119-E137 HydrophobicContact CD2-CG 4.02Å; W119-E137 HydrophobicContact CE3-CB 3.83Å; W119-E137 HydrophobicContact CG-CB 4.39Å; W119-E137 HydrophobicContact CG-CG 4.29Å; W119-E137 HydrophobicContact CH2-CB 3.93Å; W119-E137 HydrophobicContact CZ2-CB 3.75Å; W119-E137 HydrophobicContact CZ2-CG 4.09Å; W119-E137 HydrophobicContact CZ3-CB 3.94Å; W119-E137 VanDerWaalsContact NE1-CD 3.29Å; W119-E137 PolarHBondContact NE1-OE1 3.29Å |
| 120 | F | 93.9 | Very high | 80.6 | Confident | 24 Ų | 24 | 103 Ų | 103 | 11% | 0.105 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120 | -179 | -57.5 | -94.5 | 0 | 0 | 0 | 110.2 | K101 I103 D118 L122 R135 I136 V138 | K101-F120 HydrophobicContact CD-CB 4.12Å; K101-F120 HydrophobicContact CG-CB 3.9Å; K101-F120 HydrophobicContact CG-CD1 4.44Å; K101-F120 HydrophobicContact CG-CG 4.45Å; I103-F120 HydrophobicContact CD1-CD1 3.81Å; I103-F120 HydrophobicContact CD1-CD2 4.27Å; I103-F120 HydrophobicContact CD1-CE1 3.7Å; I103-F120 HydrophobicContact CD1-CE2 4.19Å; I103-F120 HydrophobicContact CD1-CG 4.1Å; I103-F120 HydrophobicContact CD1-CZ 3.9Å; I103-F120 HydrophobicContact CG1-CD1 4.22Å; I103-F120 HydrophobicContact CG1-CE1 4.22Å; D118-F120 HydrophobicContact CB-CE2 3.9Å; D118-F120 HydrophobicContact CB-CZ 3.99Å; D118-F120 WeakPolarHBondContact O-CD2 3.43Å; D118-F120 WeakPolarHBondContact O-CE2 3.36Å; F120-L122 PolarHBondContact O-N 2.69Å; F120-R135 CarbonylContact O-C 3.33Å; F120-R135 WeakPolarHBondContact O-CA 3.41Å; F120-I136 HydrophobicContact CB-CG2 4.11Å; F120-I136 PolarHBondContact N-O 2.91Å; F120-I136 PolarHBondContact O-N 3.49Å; F120-V138 HydrophobicContact CD2-CB 4.12Å; F120-V138 HydrophobicContact CD2-CG2 3.93Å; F120-V138 HydrophobicContact CE2-CB 3.95Å; F120-V138 HydrophobicContact CE2-CG2 4.27Å |
| 121 | S | 94.9 | Very high | 80.9 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.3 | 173.3 | -50.2 | 0 | 0 | 0 | 0 | 110.7 | K101 | K101-S121 WeakPolarHBondContact CD-O 3.48Å |
| 122 | L | 94.6 | Very high | 81.3 | Confident | 5 Ų | 5 | 108.2 Ų | 108.2 | 3% | 0.026 | 53% | 0.53 | C | S | . | . | trans | -77.5 | 144.2 | 178.9 | -65.5 | 171 | 0 | 0 | 0 | 110.6 | L25 V86 K101 F120 R133 G134 I136 | L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å; V86-L122 HydrophobicContact CB-CD1 4.34Å; V86-L122 HydrophobicContact CG2-CD1 3.81Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; K101-L122 HydrophobicContact CB-CD2 4.34Å; F120-L122 PolarHBondContact O-N 2.69Å; L122-R133 HydrophobicContact CB-CB 3.92Å; L122-G134 WeakPolarHBondContact CB-O 3.35Å; L122-G134 PolarHBondContact N-O 3.2Å; L122-I136 HydrophobicContact CD2-CB 4.12Å; L122-I136 HydrophobicContact CD2-CG2 3.72Å; L122-I136 HydrophobicContact CG-CB 4.47Å; L122-I136 HydrophobicContact CG-CG2 4.37Å | ||
| 123 | E | 91.6 | Very high | 82.3 | Confident | 78 Ų | 78 | 102.6 Ų | 102.6 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | B | Isolated β-bridge | trans | -113.3 | 163.5 | -177.7 | -61.8 | -177.8 | -123.4 | 0 | 0 | 111 | Q100 K101 | Q100-E123 PolarHBondContact N-O 3.11Å; Q100-E123 WeakPolarHBondContact O-CA 3.5Å; Q100-E123 WeakPolarHBondContact O-CB 3.28Å; Q100-E123 PolarHBondContact O-N 2.81Å; K101-E123 IonicContact NZ-OE1 3.06Å; K101-E123 PolarHBondContact NZ-OE1 3.23Å |
| 124 | S | 88 | Confident | 83.8 | Confident | 19 Ų | 19 | 94.1 Ų | 94.1 | 13% | 0.133 | 47% | 0.466 | C | S | . | . | trans | -74.9 | 153.9 | 168.6 | 51.3 | 0 | 0 | 0 | 0 | 111 | K128 K129 | S124-K128 PolarHBondContact OG-O 2.79Å; S124-K129 PolarHBondContact OG-O 2.85Å | ||
| 125 | K | 81.6 | Confident | 85.1 | Confident | 114 Ų | 114 | 94 Ų | 94 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | trans | -45.3 | 143.4 | 167.8 | -68.5 | -164.9 | 175.5 | -169.1 | 0 | 111.3 | F97 K128 | F97-K125 HydrophobicContact CD1-CG 4.16Å; F97-K125 HydrophobicContact CD2-CD 4.27Å; F97-K125 VanDerWaalsContact CD2-CE 3.4Å; F97-K125 HydrophobicContact CD2-CG 3.89Å; F97-K125 HydrophobicContact CE1-CG 3.89Å; F97-K125 HydrophobicContact CE2-CD 4.35Å; F97-K125 HydrophobicContact CE2-CG 3.54Å; F97-K125 HydrophobicContact CG-CG 4.17Å; F97-K125 HydrophobicContact CZ-CB 4.44Å; F97-K125 HydrophobicContact CZ-CG 3.55Å; K125-K128 PolarHBondContact O-N 3.26Å | ||
| 126 | P | 73.1 | Confident | 86.2 | Confident | 119 Ų | 119 | 86.4 Ų | 86.4 | 77% | 0.773 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 144 | -178.7 | 21.2 | -33.2 | 0 | 0 | 0 | 111.8 | ||
| 127 | G | 69.4 | Low | 86.9 | Confident | 83 Ų | 83 | 81.4 Ų | 81.4 | 86% | 0.856 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 12.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 128 | K | 76.3 | Confident | 87.1 | Confident | 158 Ų | 158 | 79 Ų | 79 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -114.2 | 152.7 | 169.7 | -61.7 | -58.6 | 178.3 | -165.2 | 0 | 111.7 | S124 K125 K130 | S124-K128 PolarHBondContact OG-O 2.79Å; K125-K128 PolarHBondContact O-N 3.26Å; K128-K130 PolarHBondContact O-N 3.41Å |
| 129 | K | 72.9 | Confident | 87.2 | Confident | 189 Ų | 189 | 77.9 Ų | 77.9 | 82% | 0.822 | 39% | 0.392 | S | S | * | . | trans | -54.4 | 127 | 175.3 | -69.2 | -169.3 | 177.3 | -172.1 | 0 | 109.4 | S124 K131 | S124-K129 PolarHBondContact OG-O 2.85Å; K129-K131 PolarHBondContact O-N 3.05Å | ||
| 130 | K | 72.9 | Confident | 87.1 | Confident | 181 Ų | 181 | 74.7 Ų | 74.7 | 79% | 0.787 | 38% | 0.381 | S | S | * | . | trans | -52.6 | 129.8 | 172.5 | -67.4 | -175.3 | 176 | -175.6 | 0 | 108.9 | K128 | K128-K130 PolarHBondContact O-N 3.41Š| ||
| 131 | K | 80.3 | Confident | 86.9 | Confident | 145 Ų | 145 | 76.8 Ų | 76.8 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | trans | -137.8 | 145.2 | 173 | -70.9 | -164.6 | 174 | -161.6 | 0 | 107.1 | K129 R133 | K129-K131 PolarHBondContact O-N 3.05Å; K131-R133 VanDerWaalsContact O-CG 3.24Å; K131-R133 WeakPolarHBondContact O-CG 3.29Å; K131-R133 PolarHBondContact O-N 2.9Å | ||
| 132 | D | 83.9 | Confident | 86.5 | Confident | 126 Ų | 126 | 74.8 Ų | 74.8 | 67% | 0.674 | 37% | 0.372 | S | S | * | . | trans | -61.8 | 138.8 | 166.2 | -165.4 | -2.8 | 0 | 0 | 0 | 109.6 | G134 | D132-G134 PolarHBondContact OD1-N 3.15Š| ||
| 133 | R | 88.8 | Confident | 86.1 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 19% | 0.185 | 39% | 0.385 | C | S | . | . | trans | -139.1 | 1 | -165.6 | -75.2 | -93.6 | 170 | 177.1 | 2.5 | 111 | F97 L98 L122 K131 | F97-R133 PolarHBondContact O-NH1 3.03Å; L98-R133 WeakPolarHBondContact O-CD 3.37Å; L98-R133 PolarHBondContact O-NH1 3.23Å; L122-R133 HydrophobicContact CB-CB 3.92Å; K131-R133 VanDerWaalsContact O-CG 3.24Å; K131-R133 WeakPolarHBondContact O-CG 3.29Å; K131-R133 PolarHBondContact O-N 2.9Å | ||
| 134 | G | 93.4 | Very high | 85.4 | Confident | 4 Ų | 4 | 77.5 Ų | 77.5 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | trans | 90.9 | -171.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S23 G24 L122 D132 | S23-G134 CarbonylContact O-C 3.6Å; S23-G134 VanDerWaalsContact O-CA 3.28Å; S23-G134 WeakPolarHBondContact O-CA 3.46Å; G24-G134 VanDerWaalsContact O-CA 3.27Å; G24-G134 WeakPolarHBondContact O-CA 3.45Å; L122-G134 WeakPolarHBondContact CB-O 3.35Å; L122-G134 PolarHBondContact N-O 3.2Å; D132-G134 PolarHBondContact OD1-N 3.15Å | ||
| 135 | R | 95.9 | Very high | 84.4 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 148.1 | -173.5 | 48 | -179.4 | -110 | -148.5 | -1.2 | 110.6 | A22 S23 W119 F120 | A22-R135 CarbonylContact C-O 3.58Å; A22-R135 WeakPolarHBondContact CA-O 3.31Å; A22-R135 WeakPolarHBondContact CB-O 3.48Å; S23-R135 PolarHBondContact N-O 2.86Å; S23-R135 PolarHBondContact O-N 3.33Å; W119-R135 HydrophobicContact CE3-CB 3.88Å; W119-R135 HydrophobicContact CE3-CG 3.68Å; W119-R135 VanDerWaalsContact CZ2-NH2 3.33Å; W119-R135 HydrophobicContact CZ3-CB 4.3Å; W119-R135 HydrophobicContact CZ3-CG 3.76Å; W119-R135 VanDerWaalsContact CZ3-NE 3.33Å; F120-R135 CarbonylContact O-C 3.33Å; F120-R135 WeakPolarHBondContact O-CA 3.41Å |
| 136 | I | 96.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.1 | 178.7 | -168.6 | 170.6 | 0 | 0 | 0 | 110.4 | V19 A22 T38 L84 V86 F120 L122 V138 | V19-I136 HydrophobicContact CG1-CD1 3.93Å; V19-I136 HydrophobicContact CG1-CG1 4.37Å; V19-I136 HydrophobicContact CG2-CD1 4.41Å; A22-I136 HydrophobicContact CB-CB 4.3Å; A22-I136 HydrophobicContact CB-CG1 4.26Å; T38-I136 HydrophobicContact CG2-CD1 3.87Å; L84-I136 HydrophobicContact CD1-CG2 4.48Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å; F120-I136 HydrophobicContact CB-CG2 4.11Å; F120-I136 PolarHBondContact N-O 2.91Å; F120-I136 PolarHBondContact O-N 3.49Å; L122-I136 HydrophobicContact CD2-CB 4.12Å; L122-I136 HydrophobicContact CD2-CG2 3.72Å; L122-I136 HydrophobicContact CG-CB 4.47Å; L122-I136 HydrophobicContact CG-CG2 4.37Å; I136-V138 HydrophobicContact CD1-CG2 4.42Å; I136-V138 HydrophobicContact CG1-CG2 4.01Å; I136-V138 HydrophobicContact CG2-CG2 4.02Å |
| 137 | E | 96.8 | Very high | 82.5 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 16% | 0.164 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.5 | 176.4 | -165.1 | 177.5 | -134.4 | 0 | 0 | 109.7 | L20 Q21 T117 W119 | L20-E137 HydrophobicContact CB-CB 4.39Å; L20-E137 HydrophobicContact CB-CG 4.49Å; L20-E137 HydrophobicContact CD1-CG 4.19Å; L20-E137 PolarHBondContact N-O 3.21Å; Q21-E137 HydrophobicContact CG-CB 3.92Å; Q21-E137 WeakPolarHBondContact CG-OE2 3.44Å; Q21-E137 PolarHBondContact NE2-OE2 2.99Å; Q21-E137 PolarHBondContact O-N 3.12Å; T117-E137 HydrophobicContact CG2-CG 3.88Å; W119-E137 HydrophobicContact CD2-CB 3.71Å; W119-E137 HydrophobicContact CD2-CG 4.02Å; W119-E137 HydrophobicContact CE3-CB 3.83Å; W119-E137 HydrophobicContact CG-CB 4.39Å; W119-E137 HydrophobicContact CG-CG 4.29Å; W119-E137 HydrophobicContact CH2-CB 3.93Å; W119-E137 HydrophobicContact CZ2-CB 3.75Å; W119-E137 HydrophobicContact CZ2-CG 4.09Å; W119-E137 HydrophobicContact CZ3-CB 3.94Å; W119-E137 VanDerWaalsContact NE1-CD 3.29Å; W119-E137 PolarHBondContact NE1-OE1 3.29Å |
| 138 | V | 96.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 131.1 | -169.7 | -166.7 | 0 | 0 | 0 | 0 | 108.9 | T18 L84 T117 D118 F120 I136 I140 | T18-V138 WeakPolarHBondContact O-CA 3.34Å; L84-V138 HydrophobicContact CD1-CB 4.43Å; L84-V138 HydrophobicContact CD1-CG1 4.18Å; L84-V138 HydrophobicContact CD1-CG2 3.53Å; T117-V138 WeakPolarHBondContact CA-O 3.44Å; D118-V138 PolarHBondContact N-O 3.38Å; D118-V138 VanDerWaalsContact N-O 3.1Å; D118-V138 PolarHBondContact O-N 3.36Å; F120-V138 HydrophobicContact CD2-CB 4.12Å; F120-V138 HydrophobicContact CD2-CG2 3.93Å; F120-V138 HydrophobicContact CE2-CB 3.95Å; F120-V138 HydrophobicContact CE2-CG2 4.27Å; I136-V138 HydrophobicContact CD1-CG2 4.42Å; I136-V138 HydrophobicContact CG1-CG2 4.01Å; I136-V138 HydrophobicContact CG2-CG2 4.02Å; V138-I140 HydrophobicContact CG1-CG1 4.07Å |
| 139 | S | 94.8 | Very high | 80.3 | Confident | 20 Ų | 20 | 74 Ų | 74 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.7 | 165 | -172 | 0 | 0 | 0 | 0 | 109.4 | A17 T18 K116 T117 | A17-S139 WeakPolarHBondContact CA-O 3.35Å; T18-S139 PolarHBondContact N-O 2.91Å; T18-S139 PolarHBondContact O-N 3.34Å; K116-S139 CarbonylContact O-C 3.48Å; K116-S139 WeakPolarHBondContact O-CA 3.21Å; K116-S139 PolarHBondContact O-OG 3.1Å; T117-S139 PolarHBondContact OG1-OG 3.33Å |
| 140 | I | 92.4 | Very high | 79.2 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117 | 174.6 | -58.3 | 178.6 | 0 | 0 | 0 | 107.7 | V15 L82 I103 L105 K116 V138 F142 | V15-I140 HydrophobicContact CG2-CG2 3.81Å; L82-I140 HydrophobicContact CD2-CD1 3.94Å; L82-I140 HydrophobicContact CD2-CG1 4.39Å; I103-I140 HydrophobicContact CD1-CD1 4.09Å; I103-I140 HydrophobicContact CG2-CD1 4.16Å; L105-I140 HydrophobicContact CD2-CD1 4.44Å; L105-I140 HydrophobicContact CD2-CG2 4.15Å; K116-I140 PolarHBondContact O-N 3.06Å; V138-I140 HydrophobicContact CG1-CG1 4.07Å; I140-F142 HydrophobicContact CG2-CE2 4.27Å; I140-F142 HydrophobicContact CG2-CZ 4.31Å |
| 141 | Q | 90.4 | Very high | 78 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.3 | 176.9 | 174.2 | 159.9 | -61.2 | 0 | 0 | 110.6 | Q16 M143 | Q16-Q141 HydrophobicContact CB-CB 4.25Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 3.16Å; Q16-Q141 PolarHBondContact O-N 2.79Å; Q141-M143 HydrophobicContact CG-CG 4.21Å |
| 142 | F | 87.3 | Confident | 76.6 | Confident | 42 Ų | 42 | 67 Ų | 67 | 18% | 0.184 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.1 | 170.7 | -67.8 | -72.5 | 0 | 0 | 0 | 110.5 | W10 P12 V15 L68 L105 M108 F109 I140 | W10-F142 HydrophobicContact CH2-CB 4Å; W10-F142 HydrophobicContact CZ3-CB 4.05Å; P12-F142 HydrophobicContact CB-CB 3.96Å; P12-F142 HydrophobicContact CB-CD1 4.01Å; P12-F142 HydrophobicContact CB-CG 4.4Å; P12-F142 HydrophobicContact CG-CB 4.44Å; P12-F142 HydrophobicContact CG-CD1 3.89Å; P12-F142 HydrophobicContact CG-CG 4.44Å; V15-F142 HydrophobicContact CB-CD1 4.36Å; V15-F142 HydrophobicContact CB-CE1 4.46Å; V15-F142 HydrophobicContact CG2-CD1 4.19Å; V15-F142 HydrophobicContact CG2-CE1 4.08Å; L68-F142 HydrophobicContact CD1-CD1 4.42Å; L105-F142 HydrophobicContact CB-CE1 4.2Å; L105-F142 HydrophobicContact CB-CZ 4.18Å; L105-F142 HydrophobicContact CD2-CE1 4.47Å; L105-F142 HydrophobicContact CD2-CZ 4.23Å; L105-F142 WeakPolarHBondContact O-CZ 3.34Å; M108-F142 HydrophobicContact CB-CE2 4.21Å; M108-F142 HydrophobicContact CB-CZ 4.23Å; F109-F142 HydrophobicContact CB-CD2 4.4Å; F109-F142 HydrophobicContact CB-CE1 4.17Å; F109-F142 HydrophobicContact CB-CE2 3.87Å; F109-F142 HydrophobicContact CB-CZ 3.75Å; F109-F142 HydrophobicContact CD2-CB 4.5Å; F109-F142 HydrophobicContact CD2-CD1 4.39Å; F109-F142 AromaticContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CD2 3.96Å; F109-F142 HydrophobicContact CD2-CE2 4.28Å; F109-F142 HydrophobicContact CD2-CG 4.02Å; I140-F142 HydrophobicContact CG2-CE2 4.27Å; I140-F142 HydrophobicContact CG2-CZ 4.31Å |
| 143 | M | 85.1 | Confident | 75.1 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.8 | -179.6 | -59.1 | -170.9 | -60.6 | 0 | 0 | 111.1 | P12 T13 H14 Q16 Q141 | P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.28Å; P12-M143 WeakPolarHBondContact CA-O 3.44Å; P12-M143 WeakPolarHBondContact CB-O 3.43Å; T13-M143 PolarHBondContact N-O 3.44Å; H14-M143 HydrophobicContact CB-CB 4.2Å; H14-M143 HydrophobicContact CB-CE 4.03Å; H14-M143 PolarHBondContact N-O 3.39Å; H14-M143 PolarHBondContact O-N 2.74Å; Q16-M143 HydrophobicContact CB-CE 3.93Å; Q16-M143 HydrophobicContact CB-SD 4.31Å; Q141-M143 HydrophobicContact CG-CG 4.21Å |
| 144 | R | 76.8 | Confident | 73.1 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | trans | -129.6 | 117.6 | 172.5 | -176.5 | 179.7 | -175.5 | 168.6 | -6.5 | 108.5 | W10 F11 T13 A149 | W10-R144 HydrophobicContact CH2-CB 4.38Å; W10-R144 HydrophobicContact CZ2-CB 3.48Å; W10-R144 VanDerWaalsContact CZ2-CB 3.48Å; F11-R144 VanDerWaalsContact O-CD 3.28Å; F11-R144 WeakPolarHBondContact O-CD 3.27Å; T13-R144 HydrophobicContact CG2-CG 4.28Å; R144-A149 HydrophobicContact CG-CB 4.5Å | ||
| 145 | N | 68 | Low | 70.9 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | trans | -77.3 | 126.6 | 174.2 | 59.2 | -11.3 | 0 | 0 | 0 | 110.3 | T13 H14 M147 T148 | T13-N145 WeakPolarHBondContact CB-OD1 3.38Å; T13-N145 PolarHBondContact OG1-N 2.88Å; T13-N145 VanDerWaalsContact OG1-N 3.11Å; T13-N145 PolarHBondContact OG1-OD1 3.48Å; H14-N145 PolarHBondContact CE1-ND2 3.37Å; N145-M147 PolarHBondContact O-N 3.43Å; N145-T148 PolarHBondContact O-N 3.08Å; N145-T148 PolarHBondContact O-OG1 2.93Å; N145-T148 PolarHBondContact OD1-OG1 3.1Å | ||
| 146 | N | 60.6 | Low | 68.7 | Low | 138 Ų | 138 | 71.3 Ų | 71.3 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.3 | -23.4 | -171.3 | -148.6 | 33.1 | 0 | 0 | 0 | 113.2 | T148 A149 S150 | N146-T148 PolarHBondContact O-N 2.93Å; N146-A149 PolarHBondContact O-N 2.83Å; N146-S150 PolarHBondContact O-N 3.06Å |
| 147 | M | 54.7 | Low | 66.4 | Low | 161 Ų | 161 | 80.5 Ų | 80.5 | 79% | 0.793 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65 | -34.1 | 179.5 | -67 | -97.5 | 62.3 | 0 | 0 | 113.6 | N145 | N145-M147 PolarHBondContact O-N 3.43Å |
| 148 | T | 53.8 | Low | 63.9 | Low | 59 Ų | 59 | 87 Ų | 87 | 36% | 0.362 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -88 | -28.6 | 177.5 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | N145 N146 S150 M151 | N145-T148 PolarHBondContact O-N 3.08Å; N145-T148 PolarHBondContact O-OG1 2.93Å; N145-T148 PolarHBondContact OD1-OG1 3.1Å; N146-T148 PolarHBondContact O-N 2.93Å; T148-S150 VanDerWaalsContact C-N 3.28Å; T148-S150 PolarHBondContact O-N 2.83Å; T148-M151 PolarHBondContact O-N 2.87Å |
| 149 | A | 44.7 | Very low | 61.5 | Low | 8 Ų | 8 | 95.4 Ų | 95.4 | 7% | 0.066 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R144 N146 M151 F152 D153 | R144-A149 HydrophobicContact CG-CB 4.5Å; N146-A149 PolarHBondContact O-N 2.83Å; A149-M151 VanDerWaalsContact C-N 3.29Å; A149-M151 PolarHBondContact O-N 2.87Å; A149-F152 PolarHBondContact O-N 2.83Å; A149-D153 PolarHBondContact O-N 3.11Å |
| 150 | S | 50.3 | Low | 59.4 | Low | 66 Ų | 66 | 100.4 Ų | 100.4 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -54.7 | -37.2 | -175.7 | -167.1 | 0 | 0 | 0 | 0 | 114.1 | N146 T148 L154 | N146-S150 PolarHBondContact O-N 3.06Å; T148-S150 VanDerWaalsContact C-N 3.28Å; T148-S150 PolarHBondContact O-N 2.83Å; S150-L154 WeakPolarHBondContact O-CD1 3.44Å; S150-L154 WeakPolarHBondContact O-CG 3.5Å |
| 151 | M | 48.3 | Very low | 57.4 | Low | 160 Ų | 160 | 111 Ų | 111 | 79% | 0.788 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75 | -28.2 | -177.2 | -79.6 | -102.2 | -75 | 0 | 0 | 114.4 | T148 A149 | T148-M151 PolarHBondContact O-N 2.87Å; A149-M151 VanDerWaalsContact C-N 3.29Å; A149-M151 PolarHBondContact O-N 2.87Å |
| 152 | F | 50.8 | Low | 55.7 | Low | 141 Ų | 141 | 111.2 Ų | 111.2 | 62% | 0.618 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -82.7 | -35.8 | 178.4 | -95.8 | -91.8 | 0 | 0 | 0 | 112.1 | L71 A149 L154 S155 | L71-F152 HydrophobicContact CD1-CE1 4.46Å; A149-F152 PolarHBondContact O-N 2.83Å; F152-L154 PolarHBondContact O-N 3.45Å; F152-S155 WeakPolarHBondContact O-CB 3.3Å; F152-S155 PolarHBondContact O-N 2.94Å; F152-S155 PolarHBondContact O-OG 2.83Å |
| 153 | D | 52.6 | Low | 54.2 | Low | 79 Ų | 79 | 114.5 Ų | 114.5 | 42% | 0.422 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.7 | -43.1 | -179.7 | -123.4 | -59.9 | 0 | 0 | 0 | 112.2 | A149 S155 M156 | A149-D153 PolarHBondContact O-N 3.11Å; D153-S155 PolarHBondContact O-N 2.83Å; D153-M156 WeakPolarHBondContact O-CG 3.46Å; D153-M156 PolarHBondContact O-N 2.86Å; D153-M156 WeakPolarHBondContact OD1-CE 3.25Å |
| 154 | L | 46.5 | Very low | 52.7 | Low | 132 Ų | 132 | 120.4 Ų | 120.4 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -1.1 | -178.7 | -65.6 | 171.4 | 0 | 0 | 0 | 115.1 | S150 F152 | S150-L154 WeakPolarHBondContact O-CD1 3.44Å; S150-L154 WeakPolarHBondContact O-CG 3.5Å; F152-L154 PolarHBondContact O-N 3.45Å |
| 155 | S | 47.3 | Very low | 51.5 | Low | 100 Ų | 100 | 121.5 Ų | 121.5 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -27.2 | 170.8 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | F152 D153 | F152-S155 WeakPolarHBondContact O-CB 3.3Å; F152-S155 PolarHBondContact O-N 2.94Å; F152-S155 PolarHBondContact O-OG 2.83Å; D153-S155 PolarHBondContact O-N 2.83Å |
| 156 | M | 48.3 | Very low | 50.8 | Low | 74 Ų | 74 | 128.3 Ų | 128.3 | 37% | 0.365 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -91.2 | 113.8 | 179.6 | 40.7 | -167.1 | -178.9 | 0 | 0 | 111.4 | S7 D153 E158 | S7-M156 WeakPolarHBondContact CB-SD 3.3Å; D153-M156 WeakPolarHBondContact O-CG 3.46Å; D153-M156 PolarHBondContact O-N 2.86Å; D153-M156 WeakPolarHBondContact OD1-CE 3.25Å; M156-E158 PolarHBondContact O-N 2.65Å |
| 157 | K | 48.8 | Very low | 50.6 | Low | 193 Ų | 193 | 130 Ų | 130 | 84% | 0.839 | 66% | 0.664 | S | S | * | * | trans | -74.7 | 72 | -179.6 | -170.9 | 175.1 | -178.1 | 172.1 | 0 | 111 | K159 | K157-K159 PolarHBondContact O-N 3.42Š| ||
| 158 | E | 43.6 | Very low | 50.8 | Low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 66% | 0.663 | S | S | * | * | trans | -55.8 | 119.6 | 170.1 | -69.6 | -138.5 | 129.7 | 0 | 0 | 109.9 | M156 | M156-E158 PolarHBondContact O-N 2.65Š| ||
| 159 | K | 47.6 | Very low | 50.7 | Low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | trans | -87.6 | 118.3 | 168.2 | -68.3 | 174.5 | -179.2 | 172.8 | 0 | 106.8 | K157 R161 | K157-K159 PolarHBondContact O-N 3.42Å; K159-R161 PolarHBondContact O-N 2.67Å | ||
| 160 | P | 49.1 | Very low | 51 | Low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -62 | 108.7 | 175.9 | 24.9 | -33.2 | 0 | 0 | 0 | 109.2 | S162 | P160-S162 PolarHBondContact O-N 2.85Š| ||
| 161 | R | 51.7 | Low | 50.8 | Low | 242 Ų | 242 | 147.8 Ų | 147.8 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | trans | -79.7 | 72.3 | -176.1 | -162.8 | 178.9 | -169.5 | 116.8 | 0.8 | 110.3 | K159 | K159-R161 PolarHBondContact O-N 2.67Š| ||
| 162 | S | 54.2 | Low | 50.7 | Low | 72 Ų | 72 | 150.3 Ų | 150.3 | 50% | 0.503 | 75% | 0.746 | S | S | . | * | trans | -49.9 | 127.6 | -177.3 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | P160 F164 S165 | P160-S162 PolarHBondContact O-N 2.85Å; S162-F164 PolarHBondContact O-N 3.28Å; S162-S165 PolarHBondContact O-OG 3.29Å | ||
| 163 | P | 56.2 | Low | 50.1 | Low | 111 Ų | 111 | 147 Ų | 147 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -13.1 | -176.7 | 29 | -35.1 | 0 | 0 | 0 | 113.4 | S165 | P163-S165 VanDerWaalsContact C-N 3.29Å; P163-S165 PolarHBondContact O-N 2.87Å |
| 164 | F | 53.3 | Low | 49.6 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 8.2 | -174.2 | -91.8 | -84.1 | 0 | 0 | 0 | 115.6 | S162 K166 | S162-F164 PolarHBondContact O-N 3.28Å; F164-K166 PolarHBondContact O-N 3.35Å |
| 165 | S | 50.6 | Low | 49.2 | Very low | 105 Ų | 105 | 158.2 Ų | 158.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 23.5 | -180 | 46.1 | 0 | 0 | 0 | 0 | 115.2 | S162 P163 | S162-S165 PolarHBondContact O-OG 3.29Å; P163-S165 VanDerWaalsContact C-N 3.29Å; P163-S165 PolarHBondContact O-N 2.87Å |
| 166 | K | 54.5 | Low | 48.5 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | 13.9 | -177.1 | -82.8 | -171 | 175.4 | -178.9 | 0 | 115.8 | F164 | F164-K166 PolarHBondContact O-N 3.35Š|
| 167 | L | 56.6 | Low | 47.9 | Very low | 174 Ų | 174 | 163.1 Ų | 163.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -119.5 | 70.1 | 171.6 | -157.7 | 76.1 | 0 | 0 | 0 | 112.5 | ||||
| 168 | K | 58.1 | Low | 47.1 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -139.8 | 140.6 | 167.6 | -164.9 | 179.7 | 178.1 | 179.2 | 0 | 110.5 | ||||
| 169 | N | 52.8 | Low | 46.4 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | 70.2 | 79.9 | 172.5 | -59.2 | -18.5 | 0 | 0 | 0 | 118.1 | ||||
| 170 | K | 49.5 | Very low | 45.7 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -146.9 | 154.1 | 140.3 | -151 | 89.2 | 175 | -166.9 | 0 | 109.1 | ||||
| 171 | V | 47.3 | Very low | 45.1 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 65.2 | 71.2 | 174.2 | -161.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 172 | K | 46.2 | Very low | 44.5 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -138 | 114.5 | 138.2 | -173.2 | 78.3 | 175.7 | -174 | 0 | 108.3 | ||
| 173 | G | 38.1 | Very low | 43.8 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 74 | 98 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 174 | R | 40.5 | Very low | 42.8 | Very low | 253 Ų | 253 | 150.1 Ų | 150.1 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -141.1 | 105 | 135.1 | -85.2 | -152.7 | 171.2 | -149.4 | -3 | 111.1 | ||||
| 175 | K | 38.2 | Very low | 42.1 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | 19.5 | 111.7 | 151.6 | -162 | 173.4 | -178 | -175.4 | 0 | 119.6 | ||||
| 176 | N | 34.2 | Very low | 41.5 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 68% | 0.679 | 83% | 0.827 | S | S | * | * | 29.2 | 125.7 | 126.9 | -152.2 | 80.8 | 0 | 0 | 0 | 119.8 | |||||
| 177 | D | 35.1 | Very low | 40.8 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | -165.3 | 149.1 | 111.9 | -86.4 | -26.9 | 0 | 0 | 0 | 111.1 | |||||
| 178 | G | 31.2 | Very low | 40 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 99.8 | 84.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 179 | G | 30.4 | Very low | 38.8 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | 99.7 | 83.8 | 129.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 180 | G | 31.7 | Very low | 38.4 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 78.5 | 169.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 181 | V | 37.1 | Very low | 37.9 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 71% | 0.709 | 83% | 0.826 | S | S | * | * | cis | -156.8 | 135.3 | -16.8 | 90.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | Y | 37.8 | Very low | 37.1 | Very low | 226 Ų | 226 | 142.5 Ų | 142.5 | 89% | 0.886 | 83% | 0.828 | S | S | * | * | trans | 47.7 | 142.1 | 172.8 | -52.9 | -60.8 | 0 | 0 | 0 | 120.5 | ||||
| 183 | G | 39.5 | Very low | 36.6 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 151.1 | 49.3 | 165 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 184 | D | 35.9 | Very low | 36.6 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -67.2 | 142.5 | 158.6 | -86.3 | -57.1 | 0 | 0 | 0 | 110.3 | ||||
| 185 | T | 38.3 | Very low | 36.3 | Very low | 145 Ų | 145 | 132 Ų | 132 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | 179.7 | 148.7 | 121.7 | 24.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 186 | S | 39.5 | Very low | 35.9 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -89.1 | 170.2 | -172.4 | -49.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 187 | S | 38.7 | Very low | 35.6 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | 86.7 | 149.2 | 143.9 | -60.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 188 | A | 39.7 | Very low | 35.6 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -80 | 169.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 189 | I | 34.1 | Very low | 35.7 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -171.6 | 155.8 | 133.2 | -99.2 | 153 | 0 | 0 | 0 | 110.8 | ||||
| 190 | L | 42.8 | Very low | 36.5 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -86.3 | 149.9 | 176 | -62.2 | 164.3 | 0 | 0 | 0 | 112.1 | ||||
| 191 | P | 39.3 | Very low | 36.3 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | trans | -92.8 | 151.2 | 152.7 | -6.9 | 26.4 | 0 | 0 | 0 | 111.9 | ||||
| 192 | R | 31.3 | Very low | 35.9 | Very low | 236 Ų | 236 | 131 Ų | 131 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 139.8 | -177.1 | -178.6 | -172.1 | 160.9 | 174.2 | -3.3 | 111.6 | ||||
| 193 | S | 36 | Very low | 35.5 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | 56.2 | 123.1 | 157.1 | 60.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 194 | A | 37.2 | Very low | 35.6 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | -148.6 | 131.5 | 121.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 195 | V | 34.5 | Very low | 35.3 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | 50.7 | 128.7 | 67.4 | -45.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 196 | C | 29.2 | Very low | 34.7 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | cis | -163.1 | -174.9 | -6.2 | -114 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 197 | D | 28.9 | Very low | 34.2 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | cis | -160.6 | -171.4 | 5.6 | -138.4 | -66.3 | 0 | 0 | 0 | 111.3 | ||||
| 198 | A | 33.6 | Very low | 33.7 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | 71.5 | 121.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 199 | E | 33.3 | Very low | 33.8 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -109.3 | -177.2 | 160.4 | -90.6 | -83.6 | 142.5 | 0 | 0 | 108.5 | ||||
| 200 | P | 47.5 | Very low | 33.5 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | cis | -137.2 | 166.1 | 2.8 | 39.4 | -21 | 0 | 0 | 0 | 118.4 | ||||
| 201 | S | 28.3 | Very low | 33 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 65.7 | 133.9 | 142.9 | 71.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 202 | G | 27.5 | Very low | 32.6 | Very low | 80 Ų | 80 | 140.3 Ų | 140.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 165.3 | 131.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 203 | R | 29.6 | Very low | 32.7 | Very low | 248 Ų | 248 | 134.9 Ų | 134.9 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -133.5 | 175 | 165.9 | -65 | -171.5 | -178.7 | -170.8 | 2.5 | 107.8 | ||||
| 204 | P | 43.3 | Very low | 32.7 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | cis | -128.3 | 178.2 | -12.4 | 40.6 | -26.2 | 0 | 0 | 0 | 113.8 | ||||
| 205 | A | 29.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -174.4 | 161.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 206 | E | 26.3 | Very low | 32.5 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -122.5 | 166.4 | 176.8 | -77.2 | -169 | 80.9 | 0 | 0 | 113.4 | ||||
| 207 | T | 28.4 | Very low | 32.8 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | 112.3 | 117.4 | 151.3 | 69.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 208 | K | 28.7 | Very low | 33.2 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | 7.6 | 160.7 | 143.7 | -74.1 | -179.4 | 179.4 | 178.1 | 0 | 121.6 | ||||
| 209 | P | 41.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | cis | -133.8 | 179.5 | 18.6 | 30.8 | -7.3 | 0 | 0 | 0 | 118.6 | ||||
| 210 | E | 27.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -29.2 | 151.4 | 175.2 | -45.3 | -170.2 | 122.8 | 0 | 0 | 121.3 | ||||
| 211 | T | 32.1 | Very low | 32.4 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | -165.1 | 124.2 | 102.8 | 16.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 212 | K | 32.1 | Very low | 32.8 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 79% | 0.787 | 82% | 0.817 | S | S | * | * | trans | 50.9 | 114.7 | 137.5 | -70 | 175.4 | -176.2 | 172.7 | 0 | 122.8 | ||||
| 213 | V | 33.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 153 Ų | 153 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | 96.1 | 102.4 | 127.4 | 176 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 214 | K | 35 | Very low | 34 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | 62.9 | 79.9 | 138.7 | -62.6 | -179 | -176.9 | -179.9 | 0 | 120.6 | ||||
| 215 | R | 34.1 | Very low | 33.5 | Very low | 241 Ų | 241 | 149.2 Ų | 149.2 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -89.5 | 173.4 | 134.1 | -73.3 | -176.6 | -167.3 | 161.1 | 4 | 109.5 | ||||
| 216 | S | 33.2 | Very low | 33.8 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 62% | 0.615 | 82% | 0.815 | S | S | * | * | cis | 179.1 | 165.9 | -35.5 | 65.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | L | 34.9 | Very low | 34.5 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 67.8 | 122 | 153.5 | -60.4 | 171.4 | 0 | 0 | 0 | 121.5 | ||||
| 218 | L | 38.5 | Very low | 34.9 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | 59.6 | 142.9 | 122.8 | -59.4 | 179.5 | 0 | 0 | 0 | 124.6 | |||||
| 219 | S | 33.1 | Very low | 35.3 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 75.7 | 92.3 | 135.5 | -174.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 220 | G | 30.2 | Very low | 35.3 | Very low | 82 Ų | 82 | 145.3 Ų | 145.3 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | 82.7 | 161 | 111.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 221 | G | 33.5 | Very low | 35.8 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 133.9 | 112.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 222 | Q | 37.5 | Very low | 36 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -78.6 | 148.1 | 164.4 | -58.3 | 170.3 | -65.4 | 0 | 0 | 109.8 | ||||
| 223 | K | 36.4 | Very low | 36.5 | Very low | 209 Ų | 209 | 143.5 Ų | 143.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -171.8 | 143.8 | 133.6 | -103.9 | 155.4 | -170.7 | -178.4 | 0 | 112.3 | ||||
| 224 | L | 45.7 | Very low | 36.6 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -83.9 | 145.2 | 161 | -62.3 | 166.9 | 0 | 0 | 0 | 108 | ||||
| 225 | S | 32.6 | Very low | 36.3 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -156.7 | 144.3 | 170.7 | -163.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 226 | A | 35.6 | Very low | 36.2 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 36.7 | 133.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 227 | A | 41.7 | Very low | 36.3 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -77.9 | 157 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 228 | H | 36.2 | Very low | 36.2 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -141.6 | 124.1 | 146.3 | -72.9 | 88.7 | 0 | 0 | 0 | 104.8 | ||||
| 229 | S | 36.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | 56.1 | 97.8 | 64.3 | -161.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 230 | M | 41.7 | Very low | 36.6 | Very low | 191 Ų | 191 | 146 Ų | 146 | 94% | 0.941 | 83% | 0.83 | S | S | * | * | trans | -144 | 115.5 | 152.7 | -72.6 | -149.3 | -48.7 | 0 | 0 | 109.6 | ||||
| 231 | S | 37.8 | Very low | 36.6 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | trans | -113.1 | 139.2 | 150.4 | -65.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 232 | D | 35.5 | Very low | 36.8 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -169.6 | 162.2 | 141.2 | -105.5 | -28.7 | 0 | 0 | 0 | 113.2 | ||||
| 233 | L | 43.7 | Very low | 36.4 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | trans | -108.5 | 114.9 | -175.1 | -70.9 | 117.6 | 0 | 0 | 0 | 113 | ||||
| 234 | I | 34.1 | Very low | 36.5 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -146.3 | 138 | 156.1 | -52.4 | -179.5 | 0 | 0 | 0 | 107.1 | ||||
| 235 | G | 29.9 | Very low | 35.8 | Very low | 63 Ų | 63 | 148.5 Ų | 148.5 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | cis | 169.1 | -177.9 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 236 | N | 31.7 | Very low | 35.7 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | 60 | 106.4 | 166.7 | -73.3 | 12.9 | 0 | 0 | 0 | 121.7 | ||||
| 237 | H | 36.3 | Very low | 35.3 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | 35.6 | 124.6 | 115.3 | -61.9 | -74.3 | 0 | 0 | 0 | 120.8 | |||||
| 238 | F | 32.2 | Very low | 34.9 | Very low | 212 Ų | 212 | 153.4 Ų | 153.4 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | -146.5 | 138.3 | 123.2 | -104.9 | -75.4 | 0 | 0 | 0 | 112 | |||||
| 239 | R | 37.3 | Very low | 35 | Very low | 233 Ų | 233 | 153.3 Ų | 153.3 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -128.8 | 144.7 | 157.5 | -81.6 | -164.9 | -176.4 | -156.5 | 6.3 | 107.1 | ||||
| 240 | P | 42.5 | Very low | 35 | Very low | 118 Ų | 118 | 157 Ų | 157 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | -119.4 | 145.7 | 114.1 | 0.2 | 19.9 | 0 | 0 | 0 | 109.4 | |||||
| 241 | K | 30.7 | Very low | 34.6 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | cis | 99.3 | 137.7 | 42.5 | -162.7 | 179.7 | -179.1 | -167.6 | 0 | 110.2 | ||||
| 242 | L | 36.9 | Very low | 34.3 | Very low | 140 Ų | 140 | 152.1 Ų | 152.1 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | trans | -67.4 | 158.2 | -174.8 | -70.3 | 69.9 | 0 | 0 | 0 | 112 | ||||
| 243 | D | 28.7 | Very low | 34.2 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | -137.7 | 159.9 | 126.4 | -89.3 | -47.5 | 0 | 0 | 0 | 110 | |||||
| 244 | S | 39 | Very low | 33.8 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -127.5 | 139.8 | 178.1 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 245 | M | 32.2 | Very low | 33.6 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -169.2 | 167.8 | 142.1 | -113.1 | -176.2 | 176.8 | 0 | 0 | 115.6 | ||||
| 246 | N | 28.7 | Very low | 33.7 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -83.6 | 155.1 | -163.3 | -43.1 | -45.7 | 0 | 0 | 0 | 115.7 | ||||
| 247 | S | 28 | Very low | 34.7 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | 179.6 | 132.8 | 127.1 | -87.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 248 | I | 32.6 | Very low | 34.7 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | 65.4 | 132.9 | 88.9 | -126.2 | 173.8 | 0 | 0 | 0 | 111.6 | |||||
| 249 | E | 38.1 | Very low | 34.9 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | cis | -133.4 | 143.6 | 24 | -58.4 | 169.9 | 163.3 | 0 | 0 | 109.3 | ||||
| 250 | E | 36.8 | Very low | 34.9 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | 76.5 | 98.3 | 66.9 | -164.9 | 167.2 | 136.2 | 0 | 0 | 117.9 | |||||
| 251 | S | 34.5 | Very low | 34.5 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 179.2 | 125.9 | 141 | 58.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 252 | G | 30 | Very low | 34.8 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | cis | 120.1 | 122.6 | 37.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 253 | S | 34.3 | Very low | 34.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | 166.9 | 110.8 | -36.8 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 254 | T | 35.1 | Very low | 35 | Very low | 152 Ų | 152 | 137 Ų | 137 | 93% | 0.933 | 78% | 0.783 | S | S | * | * | trans | -163 | 135.2 | 166.3 | 51.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 255 | G | 30.6 | Very low | 34.9 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | -175.4 | 153.1 | -8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 256 | G | 31.5 | Very low | 35.7 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -91.6 | -145.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 257 | P | 53.2 | Low | 36 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -147 | 143.7 | -4.8 | 39.8 | -19.4 | 0 | 0 | 0 | 118.7 | ||||
| 258 | H | 36.2 | Very low | 36.3 | Very low | 173 Ų | 173 | 136 Ų | 136 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | 51.6 | 123.6 | 121.4 | -155.6 | 93.7 | 0 | 0 | 0 | 124.9 | |||||
| 259 | R | 37.2 | Very low | 36.4 | Very low | 216 Ų | 216 | 136.6 Ų | 136.6 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -158.3 | 142 | 134.3 | -91.6 | -161.9 | 176.8 | -149.9 | -0.3 | 109.3 | ||||
| 260 | R | 35.6 | Very low | 36.2 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | 75 | 133 | 59.4 | -132.1 | -157.5 | 173.2 | -176 | -0.7 | 112.8 | |||||
| 261 | S | 34.2 | Very low | 36 | Very low | 75 Ų | 75 | 130 Ų | 130 | 52% | 0.524 | 77% | 0.769 | S | S | . | * | cis | -157.1 | 167 | 6.1 | -142.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 262 | Q | 38.5 | Very low | 36.1 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 26.9 | 154.2 | 138.6 | -74.8 | 161.1 | -39.3 | 0 | 0 | 122.3 | ||||
| 263 | S | 37.5 | Very low | 36.5 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | cis | -146.8 | -149.2 | 6.4 | 42.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 264 | E | 31 | Very low | 36.9 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | -155.4 | -178 | 7.9 | -155.2 | 113.9 | -79 | 0 | 0 | 111.5 | ||||
| 265 | V | 36.7 | Very low | 36.8 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -160.9 | 177.1 | -169.4 | -107.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 266 | P | 50.2 | Low | 37.1 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -145.3 | -174.7 | 24.9 | 45.3 | -25.3 | 0 | 0 | 0 | 118.9 | ||||
| 267 | G | 34.6 | Very low | 37.9 | Very low | 61 Ų | 61 | 140.7 Ų | 140.7 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | 88.6 | 159.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 268 | Y | 34.2 | Very low | 37.1 | Very low | 206 Ų | 206 | 143.9 Ų | 143.9 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | cis | -145.5 | 158.5 | -14.4 | -77.6 | -79.4 | 0 | 0 | 0 | 106.6 | ||||
| 269 | Q | 34.7 | Very low | 37.3 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 65.7 | 127.9 | 52.1 | -89.6 | 175.1 | -8.7 | 0 | 0 | 114.4 | |||||
| 270 | D | 33.4 | Very low | 37.4 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | cis | -161.3 | 173.2 | -1.3 | -152.2 | -12.6 | 0 | 0 | 0 | 111.6 | ||||
| 271 | G | 33.9 | Very low | 37.8 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | 111.8 | 143 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 272 | E | 36.6 | Very low | 37.8 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -105.2 | 150.5 | 179.1 | -62.6 | 168.6 | 77.9 | 0 | 0 | 113 | ||||
| 273 | A | 38 | Very low | 38.1 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | 159.4 | 130 | 121.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 274 | H | 41.4 | Very low | 38.4 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | 3.5 | 121.9 | 158.7 | -77.9 | -91.7 | 0 | 0 | 0 | 121.5 | ||||
| 275 | S | 33.2 | Very low | 39.1 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | -166.4 | 142.9 | 116.9 | 26.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 276 | D | 37.6 | Very low | 39.4 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -104.1 | 154.9 | 165.3 | -166.5 | 56.1 | 0 | 0 | 0 | 105.5 | ||||
| 277 | P | 47.4 | Very low | 38.9 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | cis | -144.4 | 163.2 | 34.4 | 41.3 | -21.2 | 0 | 0 | 0 | 119.3 | ||||
| 278 | F | 38.1 | Very low | 39 | Very low | 192 Ų | 192 | 145.3 Ų | 145.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | 34.3 | 96.2 | 151.6 | -80.3 | -92.7 | 0 | 0 | 0 | 119.2 | ||||
| 279 | T | 39.5 | Very low | 39.4 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -136.2 | 129 | 144.1 | 36 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 280 | D | 39 | Very low | 40.1 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | 40.4 | 89.2 | 147.3 | -48.7 | -35.4 | 0 | 0 | 0 | 117.9 | ||||
| 281 | I | 43.5 | Very low | 41 | Very low | 146 Ų | 146 | 142 Ų | 142 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | 59.2 | 107.9 | 80.1 | -54.6 | 163.7 | 0 | 0 | 0 | 113 | |||||
| 282 | S | 35.7 | Very low | 41.5 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -149.9 | 136 | 139.3 | 44.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 283 | D | 43.6 | Very low | 41.8 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 147.8 | -170.8 | -59 | -90.5 | 0 | 0 | 0 | 114.5 | ||||
| 284 | T | 44.3 | Very low | 42 | Very low | 143 Ų | 143 | 150 Ų | 150 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -176.7 | 65.2 | 136.2 | 21.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 285 | L | 45.3 | Very low | 42 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -146.3 | 108.8 | 167.8 | -159.3 | 69.9 | 0 | 0 | 0 | 114.7 | Q287 | L285-Q287 HydrophobicContact CD2-CG 4.37Å; L285-Q287 PolarHBondContact O-N 2.83Å | ||
| 286 | P | 42.4 | Very low | 42.5 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 75.9 | -176.1 | 33.4 | -35.8 | 0 | 0 | 0 | 113.2 | K288 | P286-K288 PolarHBondContact O-N 2.98Š| ||
| 287 | Q | 40.1 | Very low | 42.9 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 101 | 170.8 | -76 | -175 | -28.7 | 0 | 0 | 111.8 | L285 Y289 | L285-Q287 HydrophobicContact CD2-CG 4.37Å; L285-Q287 PolarHBondContact O-N 2.83Å; Q287-Y289 PolarHBondContact O-N 3.28Å | ||
| 288 | K | 38.3 | Very low | 42.8 | Very low | 198 Ų | 198 | 151.9 Ų | 151.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -85.1 | 94.7 | 173.8 | -67.1 | -175.9 | -179.5 | 179.9 | 0 | 111.5 | P286 | P286-K288 PolarHBondContact O-N 2.98Š| ||
| 289 | Y | 42.4 | Very low | 42.7 | Very low | 210 Ų | 210 | 152.3 Ų | 152.3 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -122.9 | 146 | 164 | -80.5 | -77.3 | 0 | 0 | 0 | 111.4 | Q287 | Q287-Y289 PolarHBondContact O-N 3.28Š| ||
| 290 | A | 48.4 | Very low | 42.6 | Very low | 104 Ų | 104 | 153 Ų | 153 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -89.1 | 131.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 291 | T | 53 | Low | 42.3 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -121.3 | 127.8 | 167.7 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 292 | L | 44.8 | Very low | 41.8 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -78.3 | 140.5 | 179.4 | -67.9 | 167.4 | 0 | 0 | 0 | 110.1 | R294 | L292-R294 PolarHBondContact O-N 3.28Š| ||
| 293 | P | 42 | Very low | 41.6 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -65.2 | 129 | 179 | 26.2 | -33.6 | 0 | 0 | 0 | 111.1 | N295 | P293-N295 PolarHBondContact O-N 2.9Š| ||
| 294 | R | 43 | Very low | 41 | Very low | 247 Ų | 247 | 151.4 Ų | 151.4 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -86.3 | 97.4 | -174.6 | -169.9 | 178.3 | -171.4 | 131.2 | -3.9 | 110.2 | L292 | L292-R294 PolarHBondContact O-N 3.28Š| ||
| 295 | N | 40.1 | Very low | 40.5 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -64.3 | 138.7 | 178 | -162.4 | 11.2 | 0 | 0 | 0 | 111.3 | P293 | P293-N295 PolarHBondContact O-N 2.9Š| ||
| 296 | R | 45.1 | Very low | 40 | Very low | 181 Ų | 181 | 156.1 Ų | 156.1 | 68% | 0.683 | 80% | 0.8 | S | S | * | * | trans | -111.6 | 140.1 | -178.9 | -176.1 | 175.8 | 177 | 162.5 | -1 | 109.4 | E300 | R296-E300 IonicContact CZ-OE2 3.9Å; R296-E300 IonicContact NE-OE2 3.62Å; R296-E300 PolarHBondContact NE-OE2 3.38Å; R296-E300 VanDerWaalsContact NH2-CD 3.27Å; R296-E300 IonicContact NH2-OE1 2.72Å; R296-E300 PolarHBondContact NH2-OE1 3.4Å; R296-E300 IonicContact NH2-OE2 3.31Å; R296-E300 PolarHBondContact NH2-OE2 3.27Å | ||
| 297 | N | 44.1 | Very low | 40.1 | Very low | 137 Ų | 137 | 156 Ų | 156 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -66.9 | 143.5 | -171.8 | -80.2 | 11 | 0 | 0 | 0 | 113 | F299 | N297-F299 VanDerWaalsContact C-N 3.26Å; N297-F299 PolarHBondContact O-N 2.95Å; N297-F299 VanDerWaalsContact O-N 3.11Å | ||
| 298 | P | 45.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 157.9 Ų | 157.9 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -87.4 | 35.8 | -172.9 | 38.1 | -39.3 | 0 | 0 | 0 | 113.9 | ||
| 299 | F | 35.9 | Very low | 38.8 | Very low | 201 Ų | 201 | 156 Ų | 156 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -133.5 | 24.9 | -173.1 | -84.9 | -75.8 | 0 | 0 | 0 | 114.5 | N297 | N297-F299 VanDerWaalsContact C-N 3.26Å; N297-F299 PolarHBondContact O-N 2.95Å; N297-F299 VanDerWaalsContact O-N 3.11Å | ||
| 300 | E | 37.9 | Very low | 38 | Very low | 140 Ų | 140 | 155.1 Ų | 155.1 | 65% | 0.654 | 79% | 0.79 | S | S | * | * | trans | -90.9 | 133 | 154.3 | -78 | 170.6 | 108.1 | 0 | 0 | 108.1 | R296 | R296-E300 IonicContact CZ-OE2 3.9Å; R296-E300 IonicContact NE-OE2 3.62Å; R296-E300 PolarHBondContact NE-OE2 3.38Å; R296-E300 VanDerWaalsContact NH2-CD 3.27Å; R296-E300 IonicContact NH2-OE1 2.72Å; R296-E300 PolarHBondContact NH2-OE1 3.4Å; R296-E300 IonicContact NH2-OE2 3.31Å; R296-E300 PolarHBondContact NH2-OE2 3.27Å | ||
| 301 | G | 32.8 | Very low | 37.2 | Very low | 74 Ų | 74 | 155.1 Ų | 155.1 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -147.9 | -171 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 302 | E | 33.3 | Very low | 36.1 | Very low | 150 Ų | 150 | 156.4 Ų | 156.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 81.8 | 128.9 | 174 | -91.6 | -147.4 | 100.7 | 0 | 0 | 121.1 | ||||
| 303 | R | 31.8 | Very low | 35.4 | Very low | 211 Ų | 211 | 160.9 Ų | 160.9 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | 66.4 | 108.5 | 154.1 | -59.1 | -171 | -64.1 | -103.2 | 2.2 | 119.2 | ||||
| 304 | G | 31.2 | Very low | 35 | Very low | 74 Ų | 74 | 164.9 Ų | 164.9 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -169.4 | 27.1 | 178 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 305 | Q | 33.8 | Very low | 34.6 | Very low | 200 Ų | 200 | 159.7 Ų | 159.7 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | trans | 61.7 | 145.4 | 161.8 | -57.7 | 179 | 10.1 | 0 | 0 | 120.7 | ||||
| 306 | Q | 34.5 | Very low | 34.4 | Very low | 185 Ų | 185 | 160.9 Ų | 160.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -93.7 | 171.4 | 165.7 | -81.8 | -173.7 | 17.5 | 0 | 0 | 109.2 | ||||
| 307 | P | 44.3 | Very low | 34 | Very low | 114 Ų | 114 | 160.6 Ų | 160.6 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -143.1 | -166.4 | 29.1 | 41 | -18.2 | 0 | 0 | 0 | 117.3 | ||||
| 308 | W | 25.7 | Very low | 33.7 | Very low | 193 Ų | 193 | 160.8 Ų | 160.8 | 73% | 0.731 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 158 | -177.8 | 70.9 | -72 | 0 | 0 | 0 | 114.9 | R310 | W308-R310 HydrophobicContact CZ3-CB 4.28Š| ||
| 309 | E | 25.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 162.8 Ų | 162.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -158.1 | 177.8 | 151.4 | -112.9 | -62.4 | 154.3 | 0 | 0 | 109.1 | ||||
| 310 | R | 26.1 | Very low | 33.2 | Very low | 192 Ų | 192 | 159.7 Ų | 159.7 | 73% | 0.725 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 133.2 | -146.2 | 172.8 | -172.9 | 178.4 | 179.8 | 0.4 | 114.1 | W308 | W308-R310 HydrophobicContact CZ3-CB 4.28Š| ||
| 311 | A | 31.1 | Very low | 32.9 | Very low | 103 Ų | 103 | 157.6 Ų | 157.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -149.9 | 127.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 312 | E | 28.9 | Very low | 33 | Very low | 164 Ų | 164 | 160.9 Ų | 160.9 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -94.3 | 144.5 | 168.2 | -63.2 | 177.8 | 93.3 | 0 | 0 | 110.9 | ||||
| 313 | R | 31.6 | Very low | 33.1 | Very low | 258 Ų | 258 | 161.2 Ų | 161.2 | 97% | 0.974 | 78% | 0.775 | S | S | * | * | trans | -155.1 | 161.7 | 137.6 | -119.1 | 176.6 | -172.5 | -130.3 | -0.3 | 113.9 | ||||
| 314 | R | 31.8 | Very low | 33.3 | Very low | 206 Ų | 206 | 158.6 Ų | 158.6 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -105.1 | 155.5 | -152.1 | -92.2 | 166.5 | 159.4 | -123.3 | 11.2 | 115.1 | ||||
| 315 | E | 35.5 | Very low | 33.9 | Very low | 138 Ų | 138 | 166.8 Ų | 166.8 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | trans | 63.8 | 127.7 | 142.4 | -70.5 | 169 | 74 | 0 | 0 | 120.9 | ||||
| 316 | K | 35.6 | Very low | 33.8 | Very low | 183 Ų | 183 | 162 Ų | 162 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | -166.9 | 127 | 94.1 | -96.5 | 153.4 | -171.1 | 171.3 | 0 | 114.2 | |||||
| 317 | K | 37.6 | Very low | 33.7 | Very low | 176 Ų | 176 | 159.7 Ų | 159.7 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 61.1 | 121.8 | 141.8 | -61.9 | -173 | 177 | -167.8 | 0 | 119 | ||||
| 318 | E | 37.4 | Very low | 33.3 | Very low | 141 Ų | 141 | 158.2 Ų | 158.2 | 66% | 0.659 | 77% | 0.768 | S | S | * | * | 77.1 | 141 | 60.4 | -77.1 | -161.4 | 131.9 | 0 | 0 | 114.7 | |||||
| 319 | K | 35.2 | Very low | 33.7 | Very low | 157 Ų | 157 | 159 Ų | 159 | 68% | 0.683 | 78% | 0.777 | S | S | * | * | cis | -176 | 135.6 | -18.7 | -127.6 | -177.2 | -153.9 | 154.9 | 0 | 109.1 | ||||
| 320 | V | 34.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 161.3 Ų | 161.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 48.7 | -171.9 | 163.1 | -58.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 321 | S | 33.1 | Very low | 34.5 | Very low | 95 Ų | 95 | 161.2 Ų | 161.2 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | cis | -142.7 | 143.3 | 1.2 | -113.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 322 | L | 33.5 | Very low | 34.5 | Very low | 143 Ų | 143 | 159.5 Ų | 159.5 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | 79.9 | 97.2 | 70.6 | -159.9 | 150 | 0 | 0 | 0 | 113.3 | |||||
| 323 | L | 35.7 | Very low | 34.8 | Very low | 157 Ų | 157 | 163.3 Ų | 163.3 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | 66.2 | 163.4 | 161.2 | -83.3 | 76.1 | 0 | 0 | 0 | 121.2 | ||||
| 324 | E | 35.7 | Very low | 35 | Very low | 157 Ų | 157 | 162.8 Ų | 162.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 79.4 | 87.8 | 147.2 | -151 | 158.2 | -154 | 0 | 0 | 122.1 | V326 | E324-V326 HydrophobicContact CG-CB 4.31Å; E324-V326 HydrophobicContact CG-CG2 3.45Å; E324-V326 VanDerWaalsContact CG-CG2 3.45Å; E324-V326 WeakPolarHBondContact OE1-CG2 3.38Å | ||
| 325 | R | 45.2 | Very low | 35.2 | Very low | 246 Ų | 246 | 158 Ų | 158 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | -136.4 | 109.2 | 128.8 | -65.7 | -169.4 | 178.5 | 98.7 | 2.4 | 106.9 | |||||
| 326 | V | 31 | Very low | 35.1 | Very low | 98 Ų | 98 | 154.3 Ų | 154.3 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | 68.1 | 109.6 | 50.5 | 168 | 0 | 0 | 0 | 0 | 113.8 | E324 | E324-V326 HydrophobicContact CG-CB 4.31Å; E324-V326 HydrophobicContact CG-CG2 3.45Å; E324-V326 VanDerWaalsContact CG-CG2 3.45Å; E324-V326 WeakPolarHBondContact OE1-CG2 3.38Å | |||
| 327 | T | 32.5 | Very low | 35 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | 51 | 107 | 162.8 | 55.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 328 | G | 35 | Very low | 34.7 | Very low | 83 Ų | 83 | 149.6 Ų | 149.6 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -142.7 | 105.3 | 159 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 329 | K | 34.3 | Very low | 34.4 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -114.9 | 114.2 | -163.7 | 173.2 | -173.6 | 175.1 | -177.3 | 0 | 112.2 | ||||
| 330 | K | 37.1 | Very low | 34.4 | Very low | 207 Ų | 207 | 150.6 Ų | 150.6 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -155.8 | 165.1 | 155.7 | -144.7 | 158.7 | -176.5 | 174.8 | 0 | 113.2 | ||||
| 331 | E | 32 | Very low | 34.3 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -92.7 | 163.7 | -162.6 | -52.7 | -177.7 | 168 | 0 | 0 | 113.6 | ||||
| 332 | G | 31.8 | Very low | 34.2 | Very low | 68 Ų | 68 | 149.1 Ų | 149.1 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | cis | 162.5 | -167.7 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 333 | R | 34.3 | Very low | 34.2 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | trans | 76.1 | 106.3 | 174.4 | -58.8 | -170.8 | 178.6 | -137.6 | -1.2 | 119.7 | ||||
| 334 | R | 35.5 | Very low | 34.1 | Very low | 247 Ų | 247 | 146 Ų | 146 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | 40.6 | 140.9 | 121.9 | -63.7 | -175.7 | -175.6 | -168.4 | 1.3 | 119.4 | |||||
| 335 | A | 37.5 | Very low | 33.9 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | cis | -156.1 | 177.6 | 5.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 336 | G | 31.7 | Very low | 33.3 | Very low | 61 Ų | 61 | 137.6 Ų | 137.6 | 63% | 0.629 | 83% | 0.825 | S | S | * | * | cis | 175.8 | 175.1 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 337 | N | 34.5 | Very low | 33.6 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 96% | 0.963 | 84% | 0.835 | S | S | * | * | trans | 68 | 140.6 | -178.3 | -54.3 | -4.4 | 0 | 0 | 0 | 116.1 | ||||
| 338 | G | 30.9 | Very low | 33.6 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | cis | 161.3 | 126.8 | -13.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 339 | G | 31.3 | Very low | 33.8 | Very low | 71 Ų | 71 | 146.3 Ų | 146.3 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | 78.4 | 135 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 340 | R | 34.8 | Very low | 34.2 | Very low | 248 Ų | 248 | 142.2 Ų | 142.2 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | cis | 61.8 | 127.4 | 36.4 | -49.4 | -176.9 | 88.6 | -172.6 | 6.1 | 112 | ||||
| 341 | S | 32.4 | Very low | 34 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | cis | -161.3 | 168.3 | 6.6 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 342 | G | 31.3 | Very low | 34.7 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | cis | -179.3 | -163.7 | 4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 343 | S | 32.7 | Very low | 34.6 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 12.9 | 131.7 | 164.4 | -81.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 344 | S | 33.5 | Very low | 34.6 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | cis | 48.7 | 103 | 25 | -165.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 345 | G | 33.3 | Very low | 34.7 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | 133.3 | 153.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 346 | D | 31.9 | Very low | 34.6 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -153 | 171.2 | 176 | -134.8 | -38.5 | 0 | 0 | 0 | 114.7 | ||||
| 347 | L | 37.9 | Very low | 34.7 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -118.8 | 142.9 | -155.8 | -61.6 | 161.4 | 0 | 0 | 0 | 113 | ||||
| 348 | R | 31.1 | Very low | 34.7 | Very low | 245 Ų | 245 | 128.8 Ų | 128.8 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | -166.6 | 140.1 | 129.9 | -114 | 170.2 | -177.3 | -106.9 | 0.2 | 113.6 | |||||
| 349 | S | 40 | Very low | 34.9 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 151.5 | 166.2 | 47.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 350 | P | 42.8 | Very low | 35.1 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 154.6 | 155.8 | 34.5 | -30 | 0 | 0 | 0 | 111.2 | ||
| 351 | N | 32.6 | Very low | 35.5 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 155.5 | -179.2 | -152 | 55.4 | 0 | 0 | 0 | 110.6 | ||
| 352 | P | 46.2 | Very low | 35.7 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 60% | 0.604 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -74.4 | 169.6 | 171.7 | 32.1 | -35.8 | 0 | 0 | 0 | 112.5 | ||
| 353 | F | 30.2 | Very low | 36.3 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | trans | 80.1 | 97.5 | -175.2 | -67 | -82.3 | 0 | 0 | 0 | 117.3 | ||||
| 354 | S | 34.7 | Very low | 36.3 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -142 | 146.7 | 131.8 | -89.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 355 | A | 37.3 | Very low | 36.3 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -98.1 | -179.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 356 | D | 34.8 | Very low | 36.4 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | cis | -160.7 | -168.1 | 7.3 | -144.5 | -37.9 | 0 | 0 | 0 | 109.9 | ||||
| 357 | A | 34.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 85.2 | 117.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 358 | A | 33.8 | Very low | 36.1 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -69.9 | 167 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 359 | A | 35.7 | Very low | 36.1 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -159.2 | 139.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 360 | D | 35.7 | Very low | 35.7 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -95.7 | 136 | -175.3 | -61.4 | -86.8 | 0 | 0 | 0 | 114.4 | ||||
| 361 | T | 42.2 | Very low | 35.2 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -146.7 | 140 | 153.7 | -41.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 362 | N | 37.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -73.1 | 148.4 | -174.6 | -79 | -66.5 | 0 | 0 | 0 | 114.6 | ||||
| 363 | P | 42.5 | Very low | 34.4 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | trans | -92.6 | 6.4 | -167.1 | 37 | -38.9 | 0 | 0 | 0 | 116.6 | ||||
| 364 | F | 34.3 | Very low | 34.4 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.833 | 82% | 0.819 | S | S | * | * | trans | -107 | 90.2 | -171.3 | -73.9 | -75.8 | 0 | 0 | 0 | 113.7 | ||||
| 365 | S | 32.8 | Very low | 34.2 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -163.4 | 122.1 | 158.2 | -88.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 366 | F | 34.7 | Very low | 33.7 | Very low | 209 Ų | 209 | 148.6 Ų | 148.6 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | 53.4 | 136.7 | 150.1 | -73.5 | -89.1 | 0 | 0 | 0 | 122.2 | ||||
| 367 | G | 31.1 | Very low | 33.3 | Very low | 74 Ų | 74 | 144.6 Ų | 144.6 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | 179.8 | 19.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | K369 | G367-K369 PolarHBondContact O-N 3.03Š| ||
| 368 | Y | 32.3 | Very low | 33 | Very low | 232 Ų | 232 | 146.2 Ų | 146.2 | 91% | 0.91 | 82% | 0.816 | S | S | * | * | trans | -67.7 | 120 | 175.8 | -80.7 | -87.6 | 0 | 0 | 0 | 111.6 | ||||
| 369 | K | 31.3 | Very low | 32.8 | Very low | 205 Ų | 205 | 150 Ų | 150 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | -141.2 | 127.8 | 154.6 | -73.7 | -162.3 | 175.5 | -175.5 | 0 | 111.3 | G367 | G367-K369 PolarHBondContact O-N 3.03Š| ||
| 370 | T | 32.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -77.3 | 153.9 | 166.8 | 32.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 371 | S | 32.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -152.7 | 148.9 | 162.8 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 372 | D | 31.6 | Very low | 31.4 | Very low | 153 Ų | 153 | 150 Ų | 150 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -91.6 | 145.1 | -165.9 | -77.7 | -89.8 | 0 | 0 | 0 | 115.4 | ||||
| 373 | N | 30.7 | Very low | 30.9 | Very low | 141 Ų | 141 | 152 Ų | 152 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | 27.1 | 120.6 | 129.6 | -164.2 | 11.5 | 0 | 0 | 0 | 119.5 | |||||
| 374 | K | 31.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | 140.5 | 123 | 111.3 | -166.6 | 168.3 | -179.2 | 178.3 | 0 | 116.6 | |||||
| 375 | Q | 28.7 | Very low | 30.1 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 70% | 0.696 | 82% | 0.818 | S | S | * | * | trans | 62 | 158.1 | 158.7 | -75.1 | 174.5 | -3.5 | 0 | 0 | 116.9 | ||||
| 376 | R | 28 | Very low | 30.1 | Very low | 224 Ų | 224 | 154.9 Ų | 154.9 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | cis | -129.3 | 168 | -15.2 | -92.3 | 135.6 | -179.3 | -106 | 8.5 | 105.1 | ||||
| 377 | G | 25.8 | Very low | 30 | Very low | 72 Ų | 72 | 155 Ų | 155 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | cis | 106.3 | 77.4 | 21 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 378 | S | 29 | Very low | 30.1 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -168 | 162.7 | 157.4 | -132.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 379 | E | 28.8 | Very low | 30.2 | Very low | 180 Ų | 180 | 158.3 Ų | 158.3 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | -103.2 | 153.3 | -170.3 | -59.3 | 161.9 | 108.6 | 0 | 0 | 112.8 | ||||
| 380 | D | 29.4 | Very low | 30.2 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 95% | 0.952 | 82% | 0.818 | S | S | * | * | 170.1 | 169.7 | 127.3 | -111 | -35.8 | 0 | 0 | 0 | 114.1 | |||||
| 381 | G | 27.9 | Very low | 30.6 | Very low | 72 Ų | 72 | 155.3 Ų | 155.3 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 103.8 | 85.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 382 | L | 27.9 | Very low | 30.6 | Very low | 154 Ų | 154 | 159.9 Ų | 159.9 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -75.2 | 160.9 | 173.4 | -169 | 64.9 | 0 | 0 | 0 | 113.5 | ||||
| 383 | F | 27.4 | Very low | 30.7 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 74.1 | 145.2 | 177.9 | -61.2 | -91.9 | 0 | 0 | 0 | 116.9 | ||||
| 384 | G | 26.9 | Very low | 30.8 | Very low | 69 Ų | 69 | 159.1 Ų | 159.1 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | 142.7 | 86.5 | -8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 385 | Q | 31.4 | Very low | 31.2 | Very low | 196 Ų | 196 | 160.6 Ų | 160.6 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -135 | 148.6 | 172.1 | -75.6 | -158.3 | 2.3 | 0 | 0 | 114.6 | ||||
| 386 | K | 33.4 | Very low | 31.9 | Very low | 206 Ų | 206 | 161.7 Ų | 161.7 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | trans | -78.3 | 138.9 | 178.4 | -58.8 | 164.5 | -177.7 | 169.2 | 0 | 110.2 | ||||
| 387 | K | 32.6 | Very low | 32.6 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | trans | -116 | 152 | 154.9 | -84.5 | -171.7 | 174.2 | 179.7 | 0 | 110.8 | ||||
| 388 | K | 34.6 | Very low | 33.7 | Very low | 190 Ų | 190 | 157.1 Ų | 157.1 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -71.1 | 158.1 | -174.4 | -70.2 | -179.5 | 178.4 | 177.8 | 0 | 111.3 | ||||
| 389 | K | 33.1 | Very low | 34.4 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -107.3 | 79.5 | -177.5 | -175.4 | -173.5 | -179.3 | -179.1 | 0 | 109.1 | ||||
| 390 | D | 31.5 | Very low | 35.4 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -80.6 | 131.1 | 175.8 | -61.5 | -52.4 | 0 | 0 | 0 | 109.8 | ||||
| 391 | I | 41.1 | Very low | 36.5 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -106.5 | 114.4 | -173.4 | -63.6 | 168.7 | 0 | 0 | 0 | 108 | ||||
| 392 | F | 32.1 | Very low | 38 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | trans | -166 | 151.3 | 148.4 | -114 | -74.8 | 0 | 0 | 0 | 111.6 | ||||
| 393 | G | 32.4 | Very low | 39.5 | Very low | 64 Ų | 64 | 144.1 Ų | 144.1 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | 73.6 | 64.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | K395 | G393-K395 PolarHBondContact O-N 2.84Š| ||
| 394 | K | 34.3 | Very low | 41.1 | Very low | 213 Ų | 213 | 137.9 Ų | 137.9 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | trans | -66.3 | 94.2 | 157.2 | -85.8 | -169 | 173.8 | -171.6 | 0 | 109.9 | ||||
| 395 | K | 39.5 | Very low | 42.7 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -68.5 | 151 | 156.4 | -70.9 | -176.3 | 176.6 | -179 | 0 | 108.9 | G393 V397 | G393-K395 PolarHBondContact O-N 2.84Å; K395-V397 VanDerWaalsContact C-N 3.35Å; K395-V397 PolarHBondContact O-N 2.88Å | ||
| 396 | N | 43.4 | Very low | 44.3 | Very low | 172 Ų | 172 | 135 Ų | 135 | 92% | 0.92 | 71% | 0.708 | S | S | * | * | trans | -70.2 | 89.2 | 176 | -74.2 | -29.6 | 0 | 0 | 0 | 110.4 | ||||
| 397 | V | 42.2 | Very low | 46.1 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 118 | 166.9 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | K395 | K395-V397 VanDerWaalsContact C-N 3.35Å; K395-V397 PolarHBondContact O-N 2.88Å |
| 398 | A | 48.3 | Very low | 48.3 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 148.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 399 | P | 43.4 | Very low | 50.3 | Low | 79 Ų | 79 | 120.5 Ų | 120.5 | 51% | 0.513 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 135.6 | 177.3 | -23.7 | 33.9 | 0 | 0 | 0 | 111.8 | D401 T402 | P399-D401 PolarHBondContact O-N 3.16Å; P399-D401 VanDerWaalsContact O-N 3.12Å; P399-T402 PolarHBondContact O-N 2.8Å; P399-T402 PolarHBondContact O-OG1 2.73Å |
| 400 | P | 51 | Low | 52.9 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -25.1 | -176.6 | 27.1 | -35.2 | 0 | 0 | 0 | 112.5 | T402 A403 | P400-T402 PolarHBondContact O-N 2.6Å; P400-A403 PolarHBondContact O-N 2.88Å |
| 401 | D | 52.6 | Low | 55.5 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 60% | 0.604 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.9 | -14.7 | -174.9 | -43.3 | -64.8 | 0 | 0 | 0 | 113.6 | P399 A403 A404 | P399-D401 PolarHBondContact O-N 3.16Å; P399-D401 VanDerWaalsContact O-N 3.12Å; D401-A403 VanDerWaalsContact C-N 3.34Å; D401-A403 PolarHBondContact O-N 3.17Å; D401-A404 PolarHBondContact O-N 2.82Å |
| 402 | T | 58.7 | Low | 57.8 | Low | 69 Ų | 69 | 114.9 Ų | 114.9 | 42% | 0.423 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.7 | -34.8 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | P399 P400 A404 N405 Y406 | P399-T402 PolarHBondContact O-N 2.8Å; P399-T402 PolarHBondContact O-OG1 2.73Å; P400-T402 PolarHBondContact O-N 2.6Å; T402-A404 VanDerWaalsContact C-N 3.35Å; T402-A404 PolarHBondContact O-N 2.9Å; T402-N405 PolarHBondContact O-N 2.81Å; T402-Y406 WeakPolarHBondContact O-CD2 3.31Å; T402-Y406 WeakPolarHBondContact O-CE2 3.21Å |
| 403 | A | 58.9 | Low | 60.4 | Low | 69 Ų | 69 | 108.9 Ų | 108.9 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.3 | -34 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P400 D401 N405 Y406 S407 | P400-A403 PolarHBondContact O-N 2.88Å; D401-A403 VanDerWaalsContact C-N 3.34Å; D401-A403 PolarHBondContact O-N 3.17Å; A403-N405 PolarHBondContact O-N 3Å; A403-Y406 PolarHBondContact O-N 3.44Å; A403-Y406 VanDerWaalsContact O-N 3.16Å; A403-S407 PolarHBondContact O-N 2.86Å |
| 404 | A | 61.4 | Low | 63 | Low | 62 Ų | 62 | 108 Ų | 108 | 51% | 0.512 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.8 | -22.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D401 T402 Y406 S407 | D401-A404 PolarHBondContact O-N 2.82Å; T402-A404 VanDerWaalsContact C-N 3.35Å; T402-A404 PolarHBondContact O-N 2.9Å; A404-Y406 VanDerWaalsContact C-N 3.34Å; A404-S407 PolarHBondContact O-OG 3.48Å |
| 405 | N | 61.9 | Low | 65.6 | Low | 119 Ų | 119 | 100.6 Ų | 100.6 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -13.6 | 176.9 | -69.4 | -16.8 | 0 | 0 | 0 | 113.6 | T402 A403 L409 | T402-N405 PolarHBondContact O-N 2.81Å; A403-N405 PolarHBondContact O-N 3Å; N405-L409 WeakPolarHBondContact O-CD1 3.34Å |
| 406 | Y | 64 | Low | 67.9 | Low | 85 Ų | 85 | 98.2 Ų | 98.2 | 33% | 0.333 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.5 | -8.8 | -178.3 | -57.7 | -66.9 | 0 | 0 | 0 | 114.1 | T402 A403 A404 N408 L409 E417 Q421 | T402-Y406 WeakPolarHBondContact O-CD2 3.31Å; T402-Y406 WeakPolarHBondContact O-CE2 3.21Å; A403-Y406 PolarHBondContact O-N 3.44Å; A403-Y406 VanDerWaalsContact O-N 3.16Å; A404-Y406 VanDerWaalsContact C-N 3.34Å; Y406-N408 PolarHBondContact O-N 2.96Å; Y406-N408 VanDerWaalsContact O-N 3.15Å; Y406-L409 PolarHBondContact O-N 2.82Å; Y406-E417 HydrophobicContact CE1-CG 4.26Å; Y406-Q421 PolarHBondContact OH-NE2 3.24Å |
| 407 | S | 71.3 | Confident | 69.9 | Low | 88 Ų | 88 | 92.4 Ų | 92.4 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.2 | -177.7 | 56.6 | 0 | 0 | 0 | 0 | 115.3 | A403 A404 | A403-S407 PolarHBondContact O-N 2.86Å; A404-S407 PolarHBondContact O-OG 3.48Å |
| 408 | N | 79 | Confident | 72.1 | Confident | 145 Ų | 145 | 91.4 Ų | 91.4 | 78% | 0.775 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 4.6 | -179.7 | -59.6 | -74.9 | 0 | 0 | 0 | 113.4 | Y406 | Y406-N408 PolarHBondContact O-N 2.96Å; Y406-N408 VanDerWaalsContact O-N 3.15Å |
| 409 | L | 76.8 | Confident | 74.2 | Confident | 70 Ų | 70 | 93.1 Ų | 93.1 | 37% | 0.366 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -107.9 | 147.9 | 179.8 | -67.6 | 101.1 | 0 | 0 | 0 | 110.9 | N405 Y406 E413 V414 | N405-L409 WeakPolarHBondContact O-CD1 3.34Å; Y406-L409 PolarHBondContact O-N 2.82Å; L409-E413 HydrophobicContact CB-CB 4.11Å; L409-E413 HydrophobicContact CD2-CB 3.92Å; L409-V414 HydrophobicContact CB-CG2 3.8Å |
| 410 | T | 88.1 | Confident | 76.4 | Confident | 83 Ų | 83 | 95 Ų | 95 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | trans | -70.8 | 161.6 | 172.5 | 63.9 | 0 | 0 | 0 | 0 | 111.4 | D412 E413 V414 | T410-D412 VanDerWaalsContact C-N 3.28Å; T410-D412 PolarHBondContact O-N 3.01Å; T410-E413 WeakPolarHBondContact CB-OE2 3.27Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.4Å; T410-E413 PolarHBondContact N-OE2 2.79Å; T410-E413 PolarHBondContact O-N 3.5Å; T410-E413 VanDerWaalsContact O-N 3.13Å; T410-E413 VanDerWaalsContact OG1-CD 3.3Å; T410-E413 VanDerWaalsContact OG1-CG 3.31Å; T410-E413 WeakPolarHBondContact OG1-CG 3.28Å; T410-E413 PolarHBondContact OG1-OE2 2.82Å; T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 2.87Å | ||
| 411 | F | 85.3 | Confident | 78.3 | Confident | 165 Ų | 165 | 93.7 Ų | 93.7 | 72% | 0.724 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -53.3 | -44.8 | -179.9 | 179.2 | -98 | 0 | 0 | 0 | 112.5 | E413 V414 V415 | F411-E413 PolarHBondContact O-N 2.97Å; F411-V414 PolarHBondContact O-N 3.48Å; F411-V415 HydrophobicContact CD1-CG2 4.22Å; F411-V415 HydrophobicContact CE1-CG2 3.9Å; F411-V415 HydrophobicContact CE2-CG2 4.48Å; F411-V415 HydrophobicContact CZ-CG2 4.05Å; F411-V415 VanDerWaalsContact O-CG2 3.26Å; F411-V415 WeakPolarHBondContact O-CG2 3.27Å; F411-V415 PolarHBondContact O-N 2.81Å |
| 412 | D | 89.2 | Confident | 80 | Confident | 107 Ų | 107 | 95.5 Ų | 95.5 | 57% | 0.572 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68 | -34.8 | -179.3 | -65.8 | -25.7 | 0 | 0 | 0 | 112.5 | T410 V415 Q416 | T410-D412 VanDerWaalsContact C-N 3.28Å; T410-D412 PolarHBondContact O-N 3.01Å; D412-V415 PolarHBondContact O-N 2.85Å; D412-Q416 WeakPolarHBondContact O-CB 3.4Å; D412-Q416 WeakPolarHBondContact O-CG 3.24Å; D412-Q416 PolarHBondContact O-N 2.9Å |
| 413 | E | 86.6 | Confident | 81.7 | Confident | 89 Ų | 89 | 95.2 Ų | 95.2 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 174.9 | -69 | 168.4 | 121.6 | 0 | 0 | 111.9 | L409 T410 F411 V415 Q416 E417 | L409-E413 HydrophobicContact CB-CB 4.11Å; L409-E413 HydrophobicContact CD2-CB 3.92Å; T410-E413 WeakPolarHBondContact CB-OE2 3.27Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.4Å; T410-E413 PolarHBondContact N-OE2 2.79Å; T410-E413 PolarHBondContact O-N 3.5Å; T410-E413 VanDerWaalsContact O-N 3.13Å; T410-E413 VanDerWaalsContact OG1-CD 3.3Å; T410-E413 VanDerWaalsContact OG1-CG 3.31Å; T410-E413 WeakPolarHBondContact OG1-CG 3.28Å; T410-E413 PolarHBondContact OG1-OE2 2.82Å; F411-E413 PolarHBondContact O-N 2.97Å; E413-V415 VanDerWaalsContact C-N 3.33Å; E413-Q416 PolarHBondContact O-N 2.77Å; E413-E417 WeakPolarHBondContact O-CB 3.47Å; E413-E417 PolarHBondContact O-N 2.94Å |
| 414 | V | 86.9 | Confident | 83.2 | Confident | 45 Ų | 45 | 95.3 Ų | 95.3 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 173 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | L409 T410 F411 E417 L418 | L409-V414 HydrophobicContact CB-CG2 3.8Å; T410-V414 WeakPolarHBondContact O-CG2 3.38Å; T410-V414 PolarHBondContact O-N 2.87Å; F411-V414 PolarHBondContact O-N 3.48Å; V414-E417 PolarHBondContact O-N 2.94Å; V414-L418 VanDerWaalsContact O-CB 3.3Å; V414-L418 WeakPolarHBondContact O-CB 3.36Å; V414-L418 PolarHBondContact O-N 3.32Å |
| 415 | V | 89.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 96 Ų | 96 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 174 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | F411 D412 E413 L418 I419 | F411-V415 HydrophobicContact CD1-CG2 4.22Å; F411-V415 HydrophobicContact CE1-CG2 3.9Å; F411-V415 HydrophobicContact CE2-CG2 4.48Å; F411-V415 HydrophobicContact CZ-CG2 4.05Å; F411-V415 VanDerWaalsContact O-CG2 3.26Å; F411-V415 WeakPolarHBondContact O-CG2 3.27Å; F411-V415 PolarHBondContact O-N 2.81Å; D412-V415 PolarHBondContact O-N 2.85Å; E413-V415 VanDerWaalsContact C-N 3.33Å; V415-L418 PolarHBondContact O-N 3.48Å; V415-I419 HydrophobicContact CG1-CD1 3.89Å; V415-I419 VanDerWaalsContact O-CG1 3.28Å; V415-I419 WeakPolarHBondContact O-CG1 3.44Å; V415-I419 PolarHBondContact O-N 3.44Å |
| 416 | Q | 87.5 | Confident | 86 | Confident | 135 Ų | 135 | 96.6 Ų | 96.6 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 175.5 | -76 | -178.8 | 37.7 | 0 | 0 | 112.2 | D412 E413 I419 K420 | D412-Q416 WeakPolarHBondContact O-CB 3.4Å; D412-Q416 WeakPolarHBondContact O-CG 3.24Å; D412-Q416 PolarHBondContact O-N 2.9Å; E413-Q416 PolarHBondContact O-N 2.77Å; Q416-I419 PolarHBondContact O-N 2.99Å; Q416-K420 VanDerWaalsContact O-CB 3.28Å; Q416-K420 WeakPolarHBondContact O-CB 3.47Å; Q416-K420 PolarHBondContact O-N 2.9Å |
| 417 | E | 84.8 | Confident | 87.3 | Confident | 51 Ų | 51 | 98.2 Ų | 98.2 | 24% | 0.238 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 177.8 | -172 | 56.7 | -145 | 0 | 0 | 111.6 | Y406 E413 V414 K420 Q421 | Y406-E417 HydrophobicContact CE1-CG 4.26Å; E413-E417 WeakPolarHBondContact O-CB 3.47Å; E413-E417 PolarHBondContact O-N 2.94Å; V414-E417 PolarHBondContact O-N 2.94Å; E417-K420 WeakPolarHBondContact O-CB 3.43Å; E417-K420 PolarHBondContact O-N 3.42Å; E417-K420 IonicContact OE1-NZ 2.72Å; E417-K420 PolarHBondContact OE1-NZ 3.16Å; E417-K420 WeakPolarHBondContact OE2-CD 3.18Å; E417-K420 IonicContact OE2-NZ 2.59Å; E417-K420 PolarHBondContact OE2-NZ 3.12Å; E417-Q421 HydrophobicContact CG-CG 4.47Å; E417-Q421 WeakPolarHBondContact O-CB 3.49Å; E417-Q421 VanDerWaalsContact O-CG 3.3Å; E417-Q421 WeakPolarHBondContact O-CG 3.22Å; E417-Q421 PolarHBondContact O-N 2.85Å; E417-Q421 PolarHBondContact OE1-NE2 2.98Å |
| 418 | L | 88.6 | Confident | 88.3 | Confident | 110 Ų | 110 | 100.2 Ų | 100.2 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 174.7 | -168 | 157.1 | 0 | 0 | 0 | 111.5 | V414 V415 Q421 K422 | V414-L418 VanDerWaalsContact O-CB 3.3Å; V414-L418 WeakPolarHBondContact O-CB 3.36Å; V414-L418 PolarHBondContact O-N 3.32Å; V415-L418 PolarHBondContact O-N 3.48Å; L418-Q421 PolarHBondContact O-N 2.92Å; L418-K422 VanDerWaalsContact O-CB 3.29Å; L418-K422 WeakPolarHBondContact O-CB 3.22Å; L418-K422 PolarHBondContact O-N 2.86Å |
| 419 | I | 92.2 | Very high | 88.7 | Confident | 105 Ų | 105 | 96.9 Ų | 96.9 | 54% | 0.538 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173 | -69.8 | 165.1 | 0 | 0 | 0 | 110.8 | V415 Q416 K422 E423 | V415-I419 HydrophobicContact CG1-CD1 3.89Å; V415-I419 VanDerWaalsContact O-CG1 3.28Å; V415-I419 WeakPolarHBondContact O-CG1 3.44Å; V415-I419 PolarHBondContact O-N 3.44Å; Q416-I419 PolarHBondContact O-N 2.99Å; I419-K422 PolarHBondContact O-N 2.96Å; I419-E423 WeakPolarHBondContact O-CB 3.25Å; I419-E423 PolarHBondContact O-N 3.3Å |
| 420 | K | 91.4 | Very high | 89.5 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 52% | 0.517 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.1 | 166.9 | 168.8 | 160.5 | -89.5 | 0 | 112.3 | Q416 E417 E423 V424 | Q416-K420 VanDerWaalsContact O-CB 3.28Å; Q416-K420 WeakPolarHBondContact O-CB 3.47Å; Q416-K420 PolarHBondContact O-N 2.9Å; E417-K420 WeakPolarHBondContact O-CB 3.43Å; E417-K420 PolarHBondContact O-N 3.42Å; E417-K420 IonicContact OE1-NZ 2.72Å; E417-K420 PolarHBondContact OE1-NZ 3.16Å; E417-K420 WeakPolarHBondContact OE2-CD 3.18Å; E417-K420 IonicContact OE2-NZ 2.59Å; E417-K420 PolarHBondContact OE2-NZ 3.12Å; K420-E423 PolarHBondContact O-N 3.13Å; K420-V424 WeakPolarHBondContact O-CG2 3.12Å; K420-V424 PolarHBondContact O-N 3.41Å |
| 421 | Q | 89 | Confident | 89.6 | Confident | 80 Ų | 80 | 95.3 Ų | 95.3 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 174.4 | -72.7 | 177.8 | 19.1 | 0 | 0 | 111.5 | Y406 E417 L418 E423 V424 V425 | Y406-Q421 PolarHBondContact OH-NE2 3.24Å; E417-Q421 HydrophobicContact CG-CG 4.47Å; E417-Q421 WeakPolarHBondContact O-CB 3.49Å; E417-Q421 VanDerWaalsContact O-CG 3.3Å; E417-Q421 WeakPolarHBondContact O-CG 3.22Å; E417-Q421 PolarHBondContact O-N 2.85Å; E417-Q421 PolarHBondContact OE1-NE2 2.98Å; L418-Q421 PolarHBondContact O-N 2.92Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 2.99Å; Q421-V424 PolarHBondContact O-N 2.91Å; Q421-V424 VanDerWaalsContact O-N 3.13Å; Q421-V425 WeakPolarHBondContact O-CG2 3.05Å; Q421-V425 PolarHBondContact O-N 3.08Å |
| 422 | K | 90.2 | Very high | 90 | Very high | 151 Ų | 151 | 91.4 Ų | 91.4 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.1 | -40 | 173.3 | -176.4 | 178.8 | -180 | 179.5 | 0 | 112.1 | L418 I419 V425 R426 | L418-K422 VanDerWaalsContact O-CB 3.29Å; L418-K422 WeakPolarHBondContact O-CB 3.22Å; L418-K422 PolarHBondContact O-N 2.86Å; I419-K422 PolarHBondContact O-N 2.96Å; K422-V425 PolarHBondContact O-N 3.33Å; K422-R426 WeakPolarHBondContact O-CB 3.35Å; K422-R426 PolarHBondContact O-N 2.83Å |
| 423 | E | 92.9 | Very high | 90.2 | Very high | 63 Ų | 63 | 93.4 Ų | 93.4 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.9 | -32.8 | 175.8 | 175.7 | 57.5 | -166.6 | 0 | 0 | 113 | I419 K420 Q421 R426 K427 | I419-E423 WeakPolarHBondContact O-CB 3.25Å; I419-E423 PolarHBondContact O-N 3.3Å; K420-E423 PolarHBondContact O-N 3.13Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 2.99Å; E423-R426 VanDerWaalsContact CD-NH2 3.32Å; E423-R426 IonicContact OE1-CZ 3.93Å; E423-R426 IonicContact OE1-NE 2.67Å; E423-R426 IonicContact OE1-NH2 2.78Å; E423-R426 PolarHBondContact OE1-NH2 3.01Å; E423-R426 IonicContact OE2-CZ 3.43Å; E423-R426 VanDerWaalsContact OE2-CZ 3.31Å; E423-R426 IonicContact OE2-NE 2.66Å; E423-R426 PolarHBondContact OE2-NE 3.05Å; E423-R426 IonicContact OE2-NH2 3.06Å; E423-R426 PolarHBondContact OE2-NH2 2.78Å; E423-K427 WeakPolarHBondContact O-CB 3.45Å; E423-K427 WeakPolarHBondContact O-CG 3.41Å; E423-K427 PolarHBondContact O-N 2.87Å; E423-K427 VanDerWaalsContact O-N 3.13Å; E423-K427 WeakPolarHBondContact OE1-CE 3.43Å; E423-K427 IonicContact OE1-NZ 3.87Å; E423-K427 PolarHBondContact OE1-NZ 2.87Å |
| 424 | V | 90.3 | Very high | 90.7 | Very high | 72 Ų | 72 | 95.2 Ų | 95.2 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 171.1 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | K420 Q421 K427 K428 | K420-V424 WeakPolarHBondContact O-CG2 3.12Å; K420-V424 PolarHBondContact O-N 3.41Å; Q421-V424 PolarHBondContact O-N 2.91Å; Q421-V424 VanDerWaalsContact O-N 3.13Å; V424-K427 PolarHBondContact O-N 3.15Å; V424-K428 WeakPolarHBondContact O-CG 3.08Å; V424-K428 PolarHBondContact O-N 2.8Å; V424-K428 VanDerWaalsContact O-N 3.1Å |
| 425 | V | 89.6 | Confident | 91 | Very high | 76 Ų | 76 | 97 Ų | 97 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -53.2 | 174 | 170.1 | 0 | 0 | 0 | 0 | 110 | Q421 K422 K427 K428 D429 | Q421-V425 WeakPolarHBondContact O-CG2 3.05Å; Q421-V425 PolarHBondContact O-N 3.08Å; K422-V425 PolarHBondContact O-N 3.33Å; V425-K427 PolarHBondContact O-N 3.1Å; V425-K428 CarbonylContact O-C 3.58Å; V425-K428 WeakPolarHBondContact O-CA 3.27Å; V425-K428 WeakPolarHBondContact O-CB 3.36Å; V425-K428 PolarHBondContact O-N 2.96Å; V425-D429 VanDerWaalsContact CG1-OD2 3.3Å; V425-D429 WeakPolarHBondContact CG1-OD2 3.45Å; V425-D429 PolarHBondContact O-N 3.3Å |
| 426 | R | 92.4 | Very high | 91.1 | Very high | 131 Ų | 131 | 99.1 Ų | 99.1 | 49% | 0.494 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -53.1 | -35.3 | 177 | -168.4 | -168 | 68.8 | 80.5 | 1.3 | 113.4 | K422 E423 A430 | K422-R426 WeakPolarHBondContact O-CB 3.35Å; K422-R426 PolarHBondContact O-N 2.83Å; E423-R426 VanDerWaalsContact CD-NH2 3.32Å; E423-R426 IonicContact OE1-CZ 3.93Å; E423-R426 IonicContact OE1-NE 2.67Å; E423-R426 IonicContact OE1-NH2 2.78Å; E423-R426 PolarHBondContact OE1-NH2 3.01Å; E423-R426 IonicContact OE2-CZ 3.43Å; E423-R426 VanDerWaalsContact OE2-CZ 3.31Å; E423-R426 IonicContact OE2-NE 2.66Å; E423-R426 PolarHBondContact OE2-NE 3.05Å; E423-R426 IonicContact OE2-NH2 3.06Å; E423-R426 PolarHBondContact OE2-NH2 2.78Å; R426-A430 WeakPolarHBondContact O-CB 3.4Å; R426-A430 PolarHBondContact O-N 2.92Å |
| 427 | K | 93.1 | Very high | 91.5 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 174.8 | -82.5 | 171.2 | 165 | 128.2 | 0 | 113 | E423 V424 V425 A430 H431 | E423-K427 WeakPolarHBondContact O-CB 3.45Å; E423-K427 WeakPolarHBondContact O-CG 3.41Å; E423-K427 PolarHBondContact O-N 2.87Å; E423-K427 VanDerWaalsContact O-N 3.13Å; E423-K427 WeakPolarHBondContact OE1-CE 3.43Å; E423-K427 IonicContact OE1-NZ 3.87Å; E423-K427 PolarHBondContact OE1-NZ 2.87Å; V424-K427 PolarHBondContact O-N 3.15Å; V425-K427 PolarHBondContact O-N 3.1Å; K427-A430 PolarHBondContact O-N 2.79Å; K427-H431 PolarHBondContact O-N 2.95Å |
| 428 | K | 90.6 | Very high | 92 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.8 | -46.5 | 171.6 | -69 | 174.1 | 178.9 | -175 | 0 | 110.7 | V424 V425 A430 H431 I432 | V424-K428 WeakPolarHBondContact O-CG 3.08Å; V424-K428 PolarHBondContact O-N 2.8Å; V424-K428 VanDerWaalsContact O-N 3.1Å; V425-K428 CarbonylContact O-C 3.58Å; V425-K428 WeakPolarHBondContact O-CA 3.27Å; V425-K428 WeakPolarHBondContact O-CB 3.36Å; V425-K428 PolarHBondContact O-N 2.96Å; K428-A430 PolarHBondContact O-N 3.44Å; K428-H431 PolarHBondContact O-N 3.45Å; K428-H431 VanDerWaalsContact O-N 3.11Å; K428-I432 WeakPolarHBondContact O-CB 3.38Å; K428-I432 VanDerWaalsContact O-CG1 3.29Å; K428-I432 WeakPolarHBondContact O-CG1 3.45Å; K428-I432 PolarHBondContact O-N 2.82Å |
| 429 | D | 88.4 | Confident | 92.2 | Very high | 74 Ų | 74 | 101.6 Ų | 101.6 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.5 | -22.9 | 178.8 | -50.4 | -23.8 | 0 | 0 | 0 | 112.9 | V425 R433 | V425-D429 VanDerWaalsContact CG1-OD2 3.3Å; V425-D429 WeakPolarHBondContact CG1-OD2 3.45Å; V425-D429 PolarHBondContact O-N 3.3Å; D429-R433 PolarHBondContact O-NE 3.04Å; D429-R433 PolarHBondContact O-NH2 2.88Å |
| 430 | A | 93.2 | Very high | 92.2 | Very high | 40 Ų | 40 | 101.2 Ų | 101.2 | 33% | 0.331 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.5 | -45.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R426 K427 K428 R433 E434 | R426-A430 WeakPolarHBondContact O-CB 3.4Å; R426-A430 PolarHBondContact O-N 2.92Å; K427-A430 PolarHBondContact O-N 2.79Å; K428-A430 PolarHBondContact O-N 3.44Å; A430-R433 PolarHBondContact O-N 3.01Å; A430-E434 PolarHBondContact O-N 3.24Å |
| 431 | H | 91.1 | Very high | 92.3 | Very high | 80 Ų | 80 | 99.4 Ų | 99.4 | 37% | 0.37 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.6 | -31.5 | 179.2 | -172.4 | 51.2 | 0 | 0 | 0 | 113 | K427 K428 E434 L435 | K427-H431 PolarHBondContact O-N 2.95Å; K428-H431 PolarHBondContact O-N 3.45Å; K428-H431 VanDerWaalsContact O-N 3.11Å; H431-E434 IonicContact CE1-OE2 3.91Å; H431-E434 IonicContact CG-OE2 2.7Å; H431-E434 IonicContact ND1-OE2 3.21Å; H431-E434 PolarHBondContact ND1-OE2 2.83Å; H431-E434 WeakPolarHBondContact O-CB 2.85Å; H431-E434 PolarHBondContact O-N 3.24Å; H431-L435 WeakPolarHBondContact O-CG 3.5Å; H431-L435 PolarHBondContact O-N 2.55Å |
| 432 | I | 92.7 | Very high | 92.5 | Very high | 83 Ų | 83 | 98.9 Ų | 98.9 | 43% | 0.426 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 171.1 | -72.6 | 164.3 | 0 | 0 | 0 | 109.7 | K428 E434 L435 E436 | K428-I432 WeakPolarHBondContact O-CB 3.38Å; K428-I432 VanDerWaalsContact O-CG1 3.29Å; K428-I432 WeakPolarHBondContact O-CG1 3.45Å; K428-I432 PolarHBondContact O-N 2.82Å; I432-E434 VanDerWaalsContact C-N 3.34Å; I432-E434 PolarHBondContact O-N 2.99Å; I432-L435 CarbonylContact O-C 3.02Å; I432-L435 PolarHBondContact O-N 3Å; I432-L435 VanDerWaalsContact O-N 3.11Å; I432-E436 HydrophobicContact CG2-CG 4.3Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.42Å; I432-E436 VanDerWaalsContact O-CG 3.29Å; I432-E436 WeakPolarHBondContact O-CG 3.28Å; I432-E436 PolarHBondContact O-N 2.85Å |
| 433 | R | 94.5 | Very high | 92.5 | Very high | 150 Ų | 150 | 95 Ų | 95 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65 | -32.7 | 177.1 | -75.9 | 176.8 | -69.5 | 143.6 | 1 | 114.1 | D429 A430 E436 D437 | D429-R433 PolarHBondContact O-NE 3.04Å; D429-R433 PolarHBondContact O-NH2 2.88Å; A430-R433 PolarHBondContact O-N 3.01Å; R433-E436 WeakPolarHBondContact CA-OE2 3.38Å; R433-E436 WeakPolarHBondContact CG-OE2 3.14Å; R433-D437 VanDerWaalsContact O-CB 3.3Å; R433-D437 WeakPolarHBondContact O-CB 3.41Å; R433-D437 PolarHBondContact O-N 2.91Å |
| 434 | E | 95.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 95.7 Ų | 95.7 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.2 | -39 | 171.8 | 179.1 | -176.9 | -150.3 | 0 | 0 | 111.8 | A430 H431 I432 Y438 | A430-E434 PolarHBondContact O-N 3.24Å; H431-E434 IonicContact CE1-OE2 3.91Å; H431-E434 IonicContact CG-OE2 2.7Å; H431-E434 IonicContact ND1-OE2 3.21Å; H431-E434 PolarHBondContact ND1-OE2 2.83Å; H431-E434 WeakPolarHBondContact O-CB 2.85Å; H431-E434 PolarHBondContact O-N 3.24Å; I432-E434 VanDerWaalsContact C-N 3.34Å; I432-E434 PolarHBondContact O-N 2.99Å; E434-Y438 WeakPolarHBondContact O-CB 3.39Å; E434-Y438 PolarHBondContact O-N 3.31Å |
| 435 | L | 94.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.7 | -35.8 | 175.6 | -68.4 | 173.3 | 0 | 0 | 0 | 112.6 | H431 I432 Y438 I439 | H431-L435 WeakPolarHBondContact O-CG 3.5Å; H431-L435 PolarHBondContact O-N 2.55Å; I432-L435 CarbonylContact O-C 3.02Å; I432-L435 PolarHBondContact O-N 3Å; I432-L435 VanDerWaalsContact O-N 3.11Å; L435-Y438 PolarHBondContact O-N 2.78Å; L435-I439 WeakPolarHBondContact O-CB 3.1Å; L435-I439 WeakPolarHBondContact O-CD1 3.37Å; L435-I439 WeakPolarHBondContact O-CG1 3.49Å; L435-I439 PolarHBondContact O-N 2.94Å |
| 436 | E | 91.4 | Very high | 92.4 | Very high | 102 Ų | 102 | 96 Ų | 96 | 48% | 0.477 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -51.8 | 172.7 | -71.6 | 165.7 | 157.6 | 0 | 0 | 110.3 | I432 R433 Y438 I439 D440 | I432-E436 HydrophobicContact CG2-CG 4.3Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.42Å; I432-E436 VanDerWaalsContact O-CG 3.29Å; I432-E436 WeakPolarHBondContact O-CG 3.28Å; I432-E436 PolarHBondContact O-N 2.85Å; R433-E436 WeakPolarHBondContact CA-OE2 3.38Å; R433-E436 WeakPolarHBondContact CG-OE2 3.14Å; E436-Y438 VanDerWaalsContact C-N 3.33Å; E436-Y438 PolarHBondContact O-N 3.11Å; E436-I439 PolarHBondContact O-N 2.87Å; E436-I439 VanDerWaalsContact O-N 3.08Å; E436-D440 PolarHBondContact O-N 3.22Å |
| 437 | D | 95.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 95.2 Ų | 95.2 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 175.1 | -179.9 | 75.3 | 0 | 0 | 0 | 112.2 | R433 D440 N441 | R433-D437 VanDerWaalsContact O-CB 3.3Å; R433-D437 WeakPolarHBondContact O-CB 3.41Å; R433-D437 PolarHBondContact O-N 2.91Å; D437-D440 PolarHBondContact O-N 2.83Å; D437-N441 WeakPolarHBondContact O-CB 3.22Å; D437-N441 PolarHBondContact O-N 3.44Å; D437-N441 PolarHBondContact O-ND2 3.26Å; D437-N441 PolarHBondContact OD1-ND2 3.18Å; D437-N441 VanDerWaalsContact OD1-ND2 3.1Å; D437-N441 PolarHBondContact OD2-ND2 3.24Å; D437-N441 VanDerWaalsContact OD2-ND2 3.16Å |
| 438 | Y | 94.4 | Very high | 91.9 | Very high | 145 Ų | 145 | 96.7 Ų | 96.7 | 57% | 0.569 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.2 | -40.7 | 173.3 | 177.2 | -96.1 | 0 | 0 | 0 | 112.8 | E434 L435 E436 L442 | E434-Y438 WeakPolarHBondContact O-CB 3.39Å; E434-Y438 PolarHBondContact O-N 3.31Å; L435-Y438 PolarHBondContact O-N 2.78Å; E436-Y438 VanDerWaalsContact C-N 3.33Å; E436-Y438 PolarHBondContact O-N 3.11Å; Y438-L442 HydrophobicContact CE1-CD2 4.1Å; Y438-L442 WeakPolarHBondContact O-CB 3.46Å; Y438-L442 PolarHBondContact O-N 2.89Å |
| 439 | I | 93.3 | Very high | 91.7 | Very high | 104 Ų | 104 | 97 Ų | 97 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.8 | -73.7 | 163.9 | 0 | 0 | 0 | 110.4 | L435 E436 L442 L443 | L435-I439 WeakPolarHBondContact O-CB 3.1Å; L435-I439 WeakPolarHBondContact O-CD1 3.37Å; L435-I439 WeakPolarHBondContact O-CG1 3.49Å; L435-I439 PolarHBondContact O-N 2.94Å; E436-I439 PolarHBondContact O-N 2.87Å; E436-I439 VanDerWaalsContact O-N 3.08Å; I439-L442 PolarHBondContact O-N 2.8Å; I439-L443 VanDerWaalsContact O-CB 3.25Å; I439-L443 WeakPolarHBondContact O-CB 3.17Å; I439-L443 PolarHBondContact O-N 3.45Å |
| 440 | D | 92.8 | Very high | 91.4 | Very high | 96 Ų | 96 | 96.8 Ų | 96.8 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -45.4 | -180 | -74.9 | -16.9 | 0 | 0 | 0 | 111.6 | E436 D437 L442 L443 V444 | E436-D440 PolarHBondContact O-N 3.22Å; D437-D440 PolarHBondContact O-N 2.83Å; D440-L442 VanDerWaalsContact C-N 3.3Å; D440-L442 PolarHBondContact O-N 3.1Å; D440-L443 PolarHBondContact O-N 2.84Å; D440-L443 VanDerWaalsContact O-N 3.16Å; D440-V444 WeakPolarHBondContact O-CG2 3.45Å; D440-V444 PolarHBondContact O-N 3.38Å |
| 441 | N | 92.7 | Very high | 90.9 | Very high | 81 Ų | 81 | 97.3 Ų | 97.3 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -35.6 | 174.4 | -80.4 | -76.5 | 0 | 0 | 0 | 112.7 | D437 R445 | D437-N441 WeakPolarHBondContact O-CB 3.22Å; D437-N441 PolarHBondContact O-N 3.44Å; D437-N441 PolarHBondContact O-ND2 3.26Å; D437-N441 PolarHBondContact OD1-ND2 3.18Å; D437-N441 VanDerWaalsContact OD1-ND2 3.1Å; D437-N441 PolarHBondContact OD2-ND2 3.24Å; D437-N441 VanDerWaalsContact OD2-ND2 3.16Å; N441-R445 PolarHBondContact O-N 3.43Å |
| 442 | L | 92.9 | Very high | 90.1 | Very high | 69 Ų | 69 | 97.3 Ų | 97.3 | 36% | 0.361 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 173.5 | 180 | 60.5 | 0 | 0 | 0 | 111.5 | Y438 I439 D440 R445 V446 | Y438-L442 HydrophobicContact CE1-CD2 4.1Å; Y438-L442 WeakPolarHBondContact O-CB 3.46Å; Y438-L442 PolarHBondContact O-N 2.89Å; I439-L442 PolarHBondContact O-N 2.8Å; D440-L442 VanDerWaalsContact C-N 3.3Å; D440-L442 PolarHBondContact O-N 3.1Å; L442-R445 PolarHBondContact O-N 3.08Å; L442-V446 HydrophobicContact CD1-CG2 4.3Å; L442-V446 HydrophobicContact CG-CG2 4.5Å; L442-V446 WeakPolarHBondContact O-CB 3.4Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.49Å; L442-V446 PolarHBondContact O-N 2.8Å |
| 443 | L | 90.8 | Very high | 89.3 | Confident | 70 Ų | 70 | 98.8 Ų | 98.8 | 37% | 0.366 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 178.7 | -177.1 | 63.9 | 0 | 0 | 0 | 111.4 | I439 D440 V446 M447 L454 | I439-L443 VanDerWaalsContact O-CB 3.25Å; I439-L443 WeakPolarHBondContact O-CB 3.17Å; I439-L443 PolarHBondContact O-N 3.45Å; D440-L443 PolarHBondContact O-N 2.84Å; D440-L443 VanDerWaalsContact O-N 3.16Å; L443-V446 PolarHBondContact O-N 2.78Å; L443-M447 HydrophobicContact CG-SD 4.17Å; L443-M447 WeakPolarHBondContact O-CB 3.42Å; L443-M447 VanDerWaalsContact O-CG 3.3Å; L443-M447 WeakPolarHBondContact O-CG 3.36Å; L443-M447 PolarHBondContact O-N 2.91Å; L443-L454 HydrophobicContact CD1-CD1 3.71Å; L443-L454 HydrophobicContact CD1-CD2 3.75Å; L443-L454 HydrophobicContact CD1-CG 4.39Å |
| 444 | V | 91.9 | Very high | 88.4 | Confident | 77 Ų | 77 | 96 Ų | 96 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.3 | -53.7 | 172.4 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | D440 V446 M447 E448 | D440-V444 WeakPolarHBondContact O-CG2 3.45Å; D440-V444 PolarHBondContact O-N 3.38Å; V444-V446 VanDerWaalsContact C-N 3.28Å; V444-V446 PolarHBondContact O-N 2.93Å; V444-M447 WeakPolarHBondContact O-CA 3.45Å; V444-M447 WeakPolarHBondContact O-CB 3.4Å; V444-M447 PolarHBondContact O-N 3.42Å; V444-E448 WeakPolarHBondContact O-CG 3.18Å; V444-E448 PolarHBondContact O-N 3.46Å |
| 445 | R | 88.8 | Confident | 87.2 | Confident | 126 Ų | 126 | 99.6 Ų | 99.6 | 48% | 0.475 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 178.7 | -168.2 | -178.8 | -53.8 | 134.8 | 13.5 | 112.6 | N441 L442 E448 E449 | N441-R445 PolarHBondContact O-N 3.43Å; L442-R445 PolarHBondContact O-N 3.08Å; R445-E448 PolarHBondContact O-N 3.04Å; R445-E449 VanDerWaalsContact CD-OE1 3.3Å; R445-E449 WeakPolarHBondContact CD-OE1 3.24Å; R445-E449 HydrophobicContact CG-CG 4.07Å; R445-E449 WeakPolarHBondContact CG-OE1 3.29Å; R445-E449 WeakPolarHBondContact O-CB 3.18Å; R445-E449 WeakPolarHBondContact O-CG 3.25Å; R445-E449 PolarHBondContact O-N 2.57Å |
| 446 | V | 90.9 | Very high | 85.8 | Confident | 30 Ų | 30 | 100.7 Ų | 100.7 | 18% | 0.182 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 175.2 | 165.1 | 0 | 0 | 0 | 0 | 112 | L442 L443 V444 E448 T450 P451 I453 L454 | L442-V446 HydrophobicContact CD1-CG2 4.3Å; L442-V446 HydrophobicContact CG-CG2 4.5Å; L442-V446 WeakPolarHBondContact O-CB 3.4Å; L442-V446 VanDerWaalsContact O-CG2 3.27Å; L442-V446 WeakPolarHBondContact O-CG2 3.49Å; L442-V446 PolarHBondContact O-N 2.8Å; L443-V446 PolarHBondContact O-N 2.78Å; V444-V446 VanDerWaalsContact C-N 3.28Å; V444-V446 PolarHBondContact O-N 2.93Å; V446-E448 VanDerWaalsContact C-N 3.33Å; V446-T450 CarbonylContact O-C 3.56Å; V446-T450 WeakPolarHBondContact O-CA 3.5Å; V446-T450 PolarHBondContact O-N 2.84Å; V446-P451 VanDerWaalsContact O-N 3.11Å; V446-I453 HydrophobicContact CG1-CG2 3.29Å; V446-L454 HydrophobicContact CG1-CD1 4.05Å; V446-L454 HydrophobicContact CG1-CD2 4.12Å; V446-L454 HydrophobicContact CG1-CG 3.89Å |
| 447 | M | 86.2 | Confident | 84.4 | Confident | 114 Ų | 114 | 100.5 Ų | 100.5 | 56% | 0.562 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.3 | -32 | 174.3 | -74.6 | 174.9 | 57.7 | 0 | 0 | 112.5 | L443 V444 L454 | L443-M447 HydrophobicContact CG-SD 4.17Å; L443-M447 WeakPolarHBondContact O-CB 3.42Å; L443-M447 VanDerWaalsContact O-CG 3.3Å; L443-M447 WeakPolarHBondContact O-CG 3.36Å; L443-M447 PolarHBondContact O-N 2.91Å; V444-M447 WeakPolarHBondContact O-CA 3.45Å; V444-M447 WeakPolarHBondContact O-CB 3.4Å; V444-M447 PolarHBondContact O-N 3.42Å; M447-L454 HydrophobicContact CG-CD1 3.43Å; M447-L454 VanDerWaalsContact CG-CD1 3.43Å; M447-L454 HydrophobicContact SD-CD1 4.41Å |
| 448 | E | 87.1 | Confident | 82.3 | Confident | 149 Ų | 149 | 105.7 Ų | 105.7 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -78.5 | -51.9 | 176.1 | -68.3 | 174 | 157.8 | 0 | 0 | 112.4 | V444 R445 V446 | V444-E448 WeakPolarHBondContact O-CG 3.18Å; V444-E448 PolarHBondContact O-N 3.46Å; R445-E448 PolarHBondContact O-N 3.04Å; V446-E448 VanDerWaalsContact C-N 3.33Å |
| 449 | E | 87.7 | Confident | 80.4 | Confident | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -82.3 | -45.6 | -173.5 | -66.5 | 178.1 | -174.2 | 0 | 0 | 113.5 | R445 | R445-E449 VanDerWaalsContact CD-OE1 3.3Å; R445-E449 WeakPolarHBondContact CD-OE1 3.24Å; R445-E449 HydrophobicContact CG-CG 4.07Å; R445-E449 WeakPolarHBondContact CG-OE1 3.29Å; R445-E449 WeakPolarHBondContact O-CB 3.18Å; R445-E449 WeakPolarHBondContact O-CG 3.25Å; R445-E449 PolarHBondContact O-N 2.57Å |
| 450 | T | 82.2 | Confident | 78.4 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | trans | -145.1 | 57.7 | -168.8 | 47.9 | 0 | 0 | 0 | 0 | 114.2 | V446 S452 I453 | V446-T450 CarbonylContact O-C 3.56Å; V446-T450 WeakPolarHBondContact O-CA 3.5Å; V446-T450 PolarHBondContact O-N 2.84Å; T450-S452 PolarHBondContact O-N 3.3Å; T450-I453 WeakPolarHBondContact O-CG2 3.35Å; T450-I453 PolarHBondContact O-N 3.29Å; T450-I453 VanDerWaalsContact O-N 3.13Å | ||
| 451 | P | 81.1 | Confident | 76.4 | Confident | 52 Ų | 52 | 108 Ų | 108 | 34% | 0.338 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -6.1 | -176.3 | 24.1 | -34.8 | 0 | 0 | 0 | 115.2 | V446 I453 R455 | V446-P451 VanDerWaalsContact O-N 3.11Å; P451-I453 VanDerWaalsContact C-N 3.35Å; P451-R455 WeakPolarHBondContact O-CG 3.29Å |
| 452 | S | 75 | Confident | 74.3 | Confident | 80 Ų | 80 | 113.9 Ų | 113.9 | 56% | 0.559 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -29.9 | 172.4 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | T450 L454 R455 T456 | T450-S452 PolarHBondContact O-N 3.3Å; S452-L454 VanDerWaalsContact C-N 3.3Å; S452-L454 PolarHBondContact O-N 3.32Å; S452-R455 PolarHBondContact O-N 2.66Å; S452-R455 VanDerWaalsContact O-N 3.16Å; S452-T456 PolarHBondContact O-OG1 2.69Å; S452-T456 VanDerWaalsContact O-OG1 3.12Å |
| 453 | I | 76.9 | Confident | 72.3 | Confident | 113 Ų | 113 | 119.5 Ų | 119.5 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -35.1 | -179.8 | -161 | 171.7 | 0 | 0 | 0 | 111.7 | V446 T450 P451 R455 | V446-I453 HydrophobicContact CG1-CG2 3.29Å; T450-I453 WeakPolarHBondContact O-CG2 3.35Å; T450-I453 PolarHBondContact O-N 3.29Å; T450-I453 VanDerWaalsContact O-N 3.13Å; P451-I453 VanDerWaalsContact C-N 3.35Å; I453-R455 VanDerWaalsContact C-N 3.33Å |
| 454 | L | 73.8 | Confident | 70.2 | Confident | 92 Ų | 92 | 120.9 Ų | 120.9 | 48% | 0.482 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -19.8 | 176.2 | -56.4 | 176.5 | 0 | 0 | 0 | 113.1 | L443 V446 M447 S452 | L443-L454 HydrophobicContact CD1-CD1 3.71Å; L443-L454 HydrophobicContact CD1-CD2 3.75Å; L443-L454 HydrophobicContact CD1-CG 4.39Å; V446-L454 HydrophobicContact CG1-CD1 4.05Å; V446-L454 HydrophobicContact CG1-CD2 4.12Å; V446-L454 HydrophobicContact CG1-CG 3.89Å; M447-L454 HydrophobicContact CG-CD1 3.43Å; M447-L454 VanDerWaalsContact CG-CD1 3.43Å; M447-L454 HydrophobicContact SD-CD1 4.41Å; S452-L454 VanDerWaalsContact C-N 3.3Å; S452-L454 PolarHBondContact O-N 3.32Å |
| 455 | R | 72 | Confident | 67.8 | Low | 202 Ų | 202 | 120.8 Ų | 120.8 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -2 | -178 | -72.9 | 177.1 | 175.1 | -177.1 | 0.2 | 114.2 | P451 S452 I453 P457 | P451-R455 WeakPolarHBondContact O-CG 3.29Å; S452-R455 PolarHBondContact O-N 2.66Å; S452-R455 VanDerWaalsContact O-N 3.16Å; I453-R455 VanDerWaalsContact C-N 3.33Å; R455-P457 WeakPolarHBondContact O-CD 3.34Å |
| 456 | T | 64.6 | Low | 65.7 | Low | 106 Ų | 106 | 124.8 Ų | 124.8 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | trans | -91.8 | 104.1 | -176 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | S452 | S452-T456 PolarHBondContact O-OG1 2.69Å; S452-T456 VanDerWaalsContact O-OG1 3.12Å | ||
| 457 | P | 61.1 | Low | 63.6 | Low | 97 Ų | 97 | 131.8 Ų | 131.8 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | trans | -62.3 | 141.5 | 170.2 | 27.9 | -34.7 | 0 | 0 | 0 | 109.5 | R455 V459 | R455-P457 WeakPolarHBondContact O-CD 3.34Å; P457-V459 HydrophobicContact CG-CG2 4.45Å; P457-V459 PolarHBondContact O-N 3.11Å | ||
| 458 | Y | 52.4 | Low | 61.4 | Low | 210 Ų | 210 | 131.9 Ų | 131.9 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | trans | -67.4 | 91.4 | 178 | 177.5 | -101.7 | 0 | 0 | 0 | 110.9 | P460 | Y458-P460 HydrophobicContact CE1-CB 4.38Å; Y458-P460 WeakPolarHBondContact O-CD 3.32Å | ||
| 459 | V | 54.4 | Low | 59.3 | Low | 109 Ų | 109 | 134.5 Ų | 134.5 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | trans | -90.9 | 110.7 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | P457 K461 | P457-V459 HydrophobicContact CG-CG2 4.45Å; P457-V459 PolarHBondContact O-N 3.11Å; V459-K461 PolarHBondContact O-N 3.38Å | ||
| 460 | P | 51.4 | Low | 57.1 | Low | 81 Ų | 81 | 137.6 Ų | 137.6 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | trans | -61.9 | 125.6 | 176.8 | 24.6 | -33.1 | 0 | 0 | 0 | 110 | Y458 K462 | Y458-P460 HydrophobicContact CE1-CB 4.38Å; Y458-P460 WeakPolarHBondContact O-CD 3.32Å; P460-K462 PolarHBondContact O-N 2.7Å | ||
| 461 | K | 49.8 | Very low | 55.5 | Low | 204 Ų | 204 | 143.9 Ų | 143.9 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | trans | -63.4 | 96.1 | -171.5 | -67.9 | -176.6 | 179.1 | 178.9 | 0 | 111.9 | V459 K463 | V459-K461 PolarHBondContact O-N 3.38Å; K461-K463 PolarHBondContact O-N 3.06Å | ||
| 462 | K | 49.8 | Very low | 53.8 | Low | 204 Ų | 204 | 152.3 Ų | 152.3 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124.5 | 165.9 | -69.3 | -176.4 | 178.6 | 178.6 | 0 | 108.6 | P460 | P460-K462 PolarHBondContact O-N 2.7Š|
| 463 | K | 49.7 | Very low | 52.7 | Low | 186 Ų | 186 | 155.9 Ų | 155.9 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.5 | -174.6 | -64.5 | 173.8 | -177.5 | 171.1 | 0 | 110.1 | K461 G465 | K461-K463 PolarHBondContact O-N 3.06Å; K463-G465 PolarHBondContact O-N 2.92Å |
| 464 | A | 46.8 | Very low | 51.4 | Low | 100 Ų | 100 | 158.2 Ų | 158.2 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 132.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 465 | G | 41.4 | Very low | 50.2 | Low | 75 Ų | 75 | 161.8 Ų | 161.8 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 134.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K463 L467 | K463-G465 PolarHBondContact O-N 2.92Å; G465-L467 PolarHBondContact O-N 3.19Å |
| 466 | K | 45.8 | Very low | 48.9 | Very low | 209 Ų | 209 | 159.5 Ų | 159.5 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74 | 122.1 | 171.9 | -76.7 | -175.7 | 173.7 | -177.2 | 0 | 109.9 | S468 | K466-S468 PolarHBondContact O-N 3.32Š|
| 467 | L | 45.7 | Very low | 47.9 | Very low | 178 Ų | 178 | 162.8 Ų | 162.8 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | trans | -63.4 | 115.3 | 166.3 | -74.1 | 160.7 | 0 | 0 | 0 | 109.7 | G465 | G465-L467 PolarHBondContact O-N 3.19Š| ||
| 468 | S | 41.2 | Very low | 47.1 | Very low | 116 Ų | 116 | 167.2 Ų | 167.2 | 81% | 0.811 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 120.7 | 166.1 | 41.7 | 0 | 0 | 0 | 0 | 109.4 | K466 K470 | K466-S468 PolarHBondContact O-N 3.32Å; S468-K470 PolarHBondContact O-N 3.01Å |
| 469 | K | 43.4 | Very low | 46.7 | Very low | 204 Ų | 204 | 164.1 Ų | 164.1 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 131 | 168.8 | -77.5 | -174.7 | 173.1 | -177 | 0 | 109 | ||
| 470 | K | 41.5 | Very low | 46.1 | Very low | 201 Ų | 201 | 168.4 Ų | 168.4 | 87% | 0.874 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.8 | 153.8 | -78.3 | -175.7 | 172.6 | -176.8 | 0 | 108.4 | S468 | S468-K470 PolarHBondContact O-N 3.01Š|
| 471 | K | 48 | Very low | 45.6 | Very low | 202 Ų | 202 | 175.7 Ų | 175.7 | 88% | 0.878 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 147.4 | 149.8 | -101.9 | -170.9 | 169.5 | -169.1 | 0 | 107.3 | ||
| 472 | N | 44.7 | Very low | 45.3 | Very low | 229 Ų | 229 | 173.1 Ų | 173.1 | 100% | 1.225 | 89% | 0.892 | S | S | * | * | trans | -77.9 | 0 | 159.8 | -59.8 | -5.2 | 0 | 0 | 0 | 108.8 |
Retrieved 472 of 472 residues in 157.1 ms
(Link to these results)