| 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 | 79.8 | Confident | 93.2 | Very high | 165 Ų | 165 | 82.1 Ų | 82.1 | 81% | 0.813 | 42% | 0.418 | S | S | * | . | 0 | 119.6 | 0 | -173.4 | -175.3 | -91.6 | 0 | 0 | 107.6 | T54 L55 H56 | M1-T54 HydrophobicContact CE-CG2 3.92Å; M1-T54 HydrophobicContact CG-CG2 3.29Å; M1-T54 HydrophobicContact SD-CG2 3.57Å; M1-T54 VanDerWaalsContact SD-CG2 3.57Å; M1-L55 CarbonylContact C-O 3.52Å; M1-L55 WeakPolarHBondContact CA-O 3.26Å; M1-H56 WeakPolarHBondContact CE-CE1 3.48Å | |||
| 2 | N | 91.1 | Very high | 93.5 | Very high | 106 Ų | 106 | 83.3 Ų | 83.3 | 57% | 0.567 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.6 | -179.5 | -175.6 | 14.2 | 0 | 0 | 0 | 108.7 | L55 | N2-L55 HydrophobicContact CB-CB 4.34Å; N2-L55 PolarHBondContact N-O 2.8Å; N2-L55 WeakPolarHBondContact O-CB 3.36Å; N2-L55 PolarHBondContact O-N 3.43Å |
| 3 | V | 93.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 78.8 Ų | 78.8 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.2 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 109 | Q5 P52 I53 | V3-Q5 HydrophobicContact CG1-CG 4.29Å; V3-Q5 VanDerWaalsContact CG1-NE2 3.31Å; V3-Q5 PolarHBondContact O-N 2.98Å; V3-P52 HydrophobicContact CG1-CB 3.6Å; V3-P52 HydrophobicContact CG1-CG 3.46Å; V3-P52 VanDerWaalsContact CG1-CG 3.46Å; V3-I53 CarbonylContact C-O 3.58Å; V3-I53 WeakPolarHBondContact CA-O 3.4Å |
| 4 | V | 92.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 73.4 Ų | 73.4 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 116 | 175.4 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | I53 L55 | V4-I53 HydrophobicContact CB-CB 4.03Å; V4-I53 HydrophobicContact CG2-CB 4.11Å; V4-I53 HydrophobicContact CG2-CG2 4.47Å; V4-I53 PolarHBondContact N-O 2.76Å; V4-L55 HydrophobicContact CG2-CD1 3.75Å; V4-L55 HydrophobicContact CG2-CD2 4.49Å; V4-L55 HydrophobicContact CG2-CG 3.97Å |
| 5 | Q | 89.4 | Confident | 94.4 | Very high | 120 Ų | 120 | 68.7 Ų | 68.7 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | trans | -111.5 | 136.4 | 179 | -68.5 | -69.6 | -24.5 | 0 | 0 | 109.9 | V3 | V3-Q5 HydrophobicContact CG1-CG 4.29Å; V3-Q5 VanDerWaalsContact CG1-NE2 3.31Å; V3-Q5 PolarHBondContact O-N 2.98Å | ||
| 6 | H | 94.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 65.9 Ų | 65.9 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | trans | -118.4 | 147 | 171.5 | -62.5 | -82.3 | 0 | 0 | 0 | 108.6 | K10 L11 Q268 W269 | H6-K10 HydrophobicContact CB-CD 4.33Å; H6-K10 PolarHBondContact ND1-NZ 3.01Å; H6-K10 VanDerWaalsContact ND1-NZ 3.15Å; H6-L11 HydrophobicContact CB-CD1 4.29Å; H6-L11 HydrophobicContact CB-CD2 3.86Å; H6-L11 HydrophobicContact CB-CG 3.82Å; H6-Q268 PolarHBondContact NE2-O 2.85Å; H6-W269 PolarHBondContact CD2-O 3.34Å | ||
| 7 | S | 95.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 62.6 Ų | 62.6 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | trans | -66.8 | 152.8 | 174.9 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | E9 K10 L11 | S7-E9 PolarHBondContact O-N 3.19Å; S7-K10 PolarHBondContact O-N 2.98Å; S7-K10 WeakPolarHBondContact OG-CB 3.3Å; S7-K10 PolarHBondContact OG-N 3.31Å; S7-L11 PolarHBondContact O-N 3.27Å | ||
| 8 | E | 96.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54 | -43.2 | 174.6 | 176.4 | 173.7 | 168.6 | 0 | 0 | 111.7 | K10 L11 R12 L41 H42 | E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 3.11Å; E8-L11 PolarHBondContact O-N 2.93Å; E8-R12 VanDerWaalsContact O-CB 3.3Å; E8-R12 WeakPolarHBondContact O-CB 3.1Å; E8-R12 PolarHBondContact O-N 3.44Å; E8-R12 IonicContact OE1-NH2 2.8Å; E8-L41 HydrophobicContact CG-CB 4.25Å; E8-H42 IonicContact OE1-CE1 2.79Å; E8-H42 IonicContact OE1-NE2 3.88Å; E8-H42 IonicContact OE2-CD2 3.54Å; E8-H42 IonicContact OE2-CE1 3.64Å; E8-H42 IonicContact OE2-NE2 3.96Å; E8-H42 PolarHBondContact OE2-NE2 3.26Å |
| 9 | E | 96.9 | Very high | 94.3 | Very high | 135 Ų | 135 | 66.8 Ų | 66.8 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 177.6 | -169.9 | -164.7 | 155 | 0 | 0 | 111.8 | S7 S13 K18 | S7-E9 PolarHBondContact O-N 3.19Å; E9-S13 WeakPolarHBondContact O-CB 3.45Å; E9-S13 PolarHBondContact O-N 3.48Å; E9-S13 PolarHBondContact O-OG 2.9Å; E9-K18 IonicContact OE1-NZ 3.78Å |
| 10 | K | 97.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 69 Ų | 69 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.2 | -43.4 | 179.4 | -165.7 | -174.4 | 179.1 | -169.4 | 0 | 110.9 | H6 S7 E8 S13 A14 W269 | H6-K10 HydrophobicContact CB-CD 4.33Å; H6-K10 PolarHBondContact ND1-NZ 3.01Å; H6-K10 VanDerWaalsContact ND1-NZ 3.15Å; S7-K10 PolarHBondContact O-N 2.98Å; S7-K10 WeakPolarHBondContact OG-CB 3.3Å; S7-K10 PolarHBondContact OG-N 3.31Å; E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 3.11Å; K10-S13 PolarHBondContact O-N 3.49Å; K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.17Å; K10-W269 HydrophobicContact CD-CZ3 4.05Å; K10-W269 HydrophobicContact CG-CH2 4.33Å; K10-W269 HydrophobicContact CG-CZ3 3.91Å |
| 11 | L | 97.7 | Very high | 94 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.1 | -68.9 | 171.9 | 0 | 0 | 0 | 111.9 | H6 S7 E8 A14 L15 L41 P43 W269 M270 I293 | H6-L11 HydrophobicContact CB-CD1 4.29Å; H6-L11 HydrophobicContact CB-CD2 3.86Å; H6-L11 HydrophobicContact CB-CG 3.82Å; S7-L11 PolarHBondContact O-N 3.27Å; E8-L11 PolarHBondContact O-N 2.93Å; L11-A14 PolarHBondContact O-N 3.02Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 2.98Å; L11-L41 HydrophobicContact CB-CD2 3.8Å; L11-P43 HydrophobicContact CD1-CG 4.15Å; L11-W269 HydrophobicContact CD2-CE3 4.14Å; L11-M270 HydrophobicContact CD2-CE 3.82Å; L11-I293 HydrophobicContact CD2-CD1 4.39Å |
| 12 | R | 97.7 | Very high | 94.6 | Very high | 96 Ų | 96 | 62.4 Ų | 62.4 | 36% | 0.362 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.4 | -176.7 | 175.7 | -68.1 | -79 | 4.2 | 111.4 | E8 A14 L15 V16 E38 L41 | E8-R12 VanDerWaalsContact O-CB 3.3Å; E8-R12 WeakPolarHBondContact O-CB 3.1Å; E8-R12 PolarHBondContact O-N 3.44Å; E8-R12 IonicContact OE1-NH2 2.8Å; R12-A14 VanDerWaalsContact C-N 3.3Å; R12-A14 PolarHBondContact O-N 3.3Å; R12-L15 PolarHBondContact O-N 3.25Å; R12-V16 PolarHBondContact O-N 2.85Å; R12-E38 IonicContact CZ-OE1 3.45Å; R12-E38 IonicContact NH1-OE1 2.68Å; R12-E38 PolarHBondContact NH1-OE1 3.23Å; R12-E38 IonicContact NH2-OE1 3.71Å; R12-L41 HydrophobicContact CB-CD1 4.47Å; R12-L41 HydrophobicContact CB-CD2 3.92Å; R12-L41 VanDerWaalsContact CZ-CD1 3.44Å |
| 13 | S | 97.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 175.2 | -57 | 0 | 0 | 0 | 0 | 111.4 | E9 K10 L15 S17 K18 | E9-S13 WeakPolarHBondContact O-CB 3.45Å; E9-S13 PolarHBondContact O-N 3.48Å; E9-S13 PolarHBondContact O-OG 2.9Å; K10-S13 PolarHBondContact O-N 3.49Å; S13-L15 VanDerWaalsContact C-N 3.35Å; S13-S17 WeakPolarHBondContact O-CA 3.35Å; S13-S17 PolarHBondContact O-N 3.14Å; S13-K18 WeakPolarHBondContact OG-CE 3.47Å |
| 14 | A | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.8 | -31.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K10 L11 R12 D71 F72 W269 I293 | K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.17Å; L11-A14 PolarHBondContact O-N 3.02Å; R12-A14 VanDerWaalsContact C-N 3.3Å; R12-A14 PolarHBondContact O-N 3.3Å; A14-D71 HydrophobicContact CB-CB 3.84Å; A14-F72 WeakPolarHBondContact O-CB 3.25Å; A14-F72 PolarHBondContact O-N 3.45Å; A14-W269 HydrophobicContact CB-CD2 3.97Å; A14-W269 HydrophobicContact CB-CE3 4.02Å; A14-W269 HydrophobicContact CB-CH2 3.58Å; A14-W269 HydrophobicContact CB-CZ2 3.53Å; A14-W269 HydrophobicContact CB-CZ3 3.83Å; A14-I293 HydrophobicContact CB-CD1 3.74Å; A14-I293 HydrophobicContact CB-CG1 4.49Å |
| 15 | L | 98.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.3 | -47 | 177.7 | 178.7 | 61.6 | 0 | 0 | 0 | 112.3 | L11 R12 S13 Y26 L37 L41 P292 I293 H296 | L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 2.98Å; R12-L15 PolarHBondContact O-N 3.25Å; S13-L15 VanDerWaalsContact C-N 3.35Å; L15-Y26 HydrophobicContact CD1-CE2 4.08Å; L15-Y26 HydrophobicContact CD2-CE2 3.93Å; L15-Y26 HydrophobicContact CG-CD2 4.42Å; L15-Y26 HydrophobicContact CG-CE2 3.74Å; L15-L37 HydrophobicContact CD2-CB 4.16Å; L15-L41 HydrophobicContact CD2-CD2 4.45Å; L15-P292 HydrophobicContact CD1-CB 4.27Å; L15-I293 HydrophobicContact CB-CG1 4.07Å; L15-I293 HydrophobicContact CD1-CG1 4.26Å; L15-H296 HydrophobicContact CD1-CB 3.97Å; L15-H296 PolarHBondContact O-CD2 2.96Å |
| 16 | V | 96.9 | Very high | 95.1 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -100.3 | -22.3 | -167.6 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | R12 A23 Y26 | R12-V16 PolarHBondContact O-N 2.85Å; V16-A23 HydrophobicContact CG1-CB 3.87Å; V16-A23 VanDerWaalsContact O-CA 3.24Å; V16-A23 WeakPolarHBondContact O-CA 3.42Å; V16-Y26 HydrophobicContact CB-CG 4.42Å; V16-Y26 HydrophobicContact CG1-CD1 4.2Å; V16-Y26 HydrophobicContact CG1-CG 4.12Å; V16-Y26 HydrophobicContact CG2-CD1 3.8Å; V16-Y26 HydrophobicContact CG2-CD2 4.02Å; V16-Y26 HydrophobicContact CG2-CE1 3.9Å; V16-Y26 HydrophobicContact CG2-CE2 4.12Å; V16-Y26 HydrophobicContact CG2-CG 3.87Å |
| 17 | S | 94.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | trans | 72.6 | 147.8 | -162 | 175.4 | 0 | 0 | 0 | 0 | 113.8 | S13 L19 E73 | S13-S17 WeakPolarHBondContact O-CA 3.35Å; S13-S17 PolarHBondContact O-N 3.14Å; S17-L19 PolarHBondContact OG-N 3.12Å; S17-E73 PolarHBondContact OG-OE2 3.49Å | ||
| 18 | K | 91.2 | Very high | 94.8 | Very high | 143 Ų | 143 | 62.3 Ų | 62.3 | 62% | 0.622 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -87.1 | -14.2 | 170.9 | -65.6 | -172.7 | 178.2 | -169.7 | 0 | 112.4 | E9 S13 P20 | E9-K18 IonicContact OE1-NZ 3.78Å; S13-K18 WeakPolarHBondContact OG-CE 3.47Å; K18-P20 WeakPolarHBondContact O-CD 3.33Å |
| 19 | L | 93.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -81.7 | 119.2 | 178.3 | -67.5 | -178.4 | 0 | 0 | 0 | 110.4 | S17 A21 V22 A23 E73 | S17-L19 PolarHBondContact OG-N 3.12Å; L19-A21 PolarHBondContact O-N 3.32Å; L19-A21 VanDerWaalsContact O-N 3.11Å; L19-V22 HydrophobicContact CB-CB 4.41Å; L19-V22 HydrophobicContact CB-CG2 4.24Å; L19-V22 PolarHBondContact O-N 2.75Å; L19-A23 PolarHBondContact O-N 2.56Å; L19-E73 VanDerWaalsContact CD1-CD 3.42Å; L19-E73 HydrophobicContact CD1-CG 4.06Å; L19-E73 WeakPolarHBondContact CD1-OE1 3.17Å; L19-E73 WeakPolarHBondContact CG-OE1 3.24Å; L19-E73 WeakPolarHBondContact CG-OE2 3.48Å |
| 20 | P | 91.9 | Very high | 94.7 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 71% | 0.714 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.9 | -35.3 | -175.2 | -28.6 | 35.6 | 0 | 0 | 0 | 114.6 | K18 V22 K24 | K18-P20 WeakPolarHBondContact O-CD 3.33Å; P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 3.42Å; P20-K24 PolarHBondContact O-N 2.94Å |
| 21 | A | 91.3 | Very high | 94.5 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.1 | -33.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L19 | L19-A21 PolarHBondContact O-N 3.32Å; L19-A21 VanDerWaalsContact O-N 3.11Å |
| 22 | V | 92.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -85.4 | -42 | 179 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | L19 P20 K24 L25 F72 Y76 | L19-V22 HydrophobicContact CB-CB 4.41Å; L19-V22 HydrophobicContact CB-CG2 4.24Å; L19-V22 PolarHBondContact O-N 2.75Å; P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 3.42Å; V22-K24 PolarHBondContact O-N 3.19Å; V22-K24 VanDerWaalsContact O-N 3.12Å; V22-L25 WeakPolarHBondContact O-CB 3.38Å; V22-L25 WeakPolarHBondContact O-CG 3.36Å; V22-L25 PolarHBondContact O-N 3.41Å; V22-F72 HydrophobicContact CG1-CD1 3.73Å; V22-F72 HydrophobicContact CG1-CE1 3.45Å; V22-F72 VanDerWaalsContact CG1-CE1 3.45Å; V22-F72 HydrophobicContact CG1-CZ 4.5Å; V22-Y76 HydrophobicContact CG1-CD1 4.37Å; V22-Y76 HydrophobicContact CG1-CG 4.48Å; V22-Y76 HydrophobicContact CG2-CD1 4.19Å |
| 23 | A | 93.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -24.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V16 L19 L25 Y26 | V16-A23 HydrophobicContact CG1-CB 3.87Å; V16-A23 VanDerWaalsContact O-CA 3.24Å; V16-A23 WeakPolarHBondContact O-CA 3.42Å; L19-A23 PolarHBondContact O-N 2.56Å; A23-L25 PolarHBondContact O-N 3.23Å; A23-Y26 WeakPolarHBondContact O-CB 3.24Å; A23-Y26 PolarHBondContact O-N 3.36Å; A23-Y26 VanDerWaalsContact O-N 3.14Å |
| 24 | K | 93.9 | Very high | 94.3 | Very high | 144 Ų | 144 | 57 Ų | 57 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.6 | -35.6 | 173.4 | -170.8 | 179.2 | 177.5 | -173.5 | 0 | 112.4 | P20 V22 Y26 S27 | P20-K24 PolarHBondContact O-N 2.94Å; V22-K24 PolarHBondContact O-N 3.19Å; V22-K24 VanDerWaalsContact O-N 3.12Å; K24-Y26 PolarHBondContact O-N 2.99Å; K24-S27 WeakPolarHBondContact O-CA 3.42Å; K24-S27 VanDerWaalsContact O-CB 3.24Å; K24-S27 WeakPolarHBondContact O-CB 3.35Å; K24-S27 PolarHBondContact O-N 2.75Å |
| 25 | L | 93.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -32.4 | 178.6 | -62.1 | 168.1 | 0 | 0 | 0 | 112.2 | V22 A23 S27 F72 Y76 V300 | V22-L25 WeakPolarHBondContact O-CB 3.38Å; V22-L25 WeakPolarHBondContact O-CG 3.36Å; V22-L25 PolarHBondContact O-N 3.41Å; A23-L25 PolarHBondContact O-N 3.23Å; L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.02Å; L25-F72 HydrophobicContact CB-CZ 4.48Å; L25-F72 HydrophobicContact CD1-CE1 4.12Å; L25-F72 HydrophobicContact CD1-CZ 3.9Å; L25-Y76 HydrophobicContact CD1-CD1 4.45Å; L25-Y76 HydrophobicContact CD1-CD2 3.74Å; L25-Y76 HydrophobicContact CD1-CE1 4.1Å; L25-Y76 HydrophobicContact CD1-CE2 3.33Å; L25-Y76 HydrophobicContact CD1-CG 4.29Å; L25-V300 HydrophobicContact CD1-CG1 4.35Å |
| 26 | Y | 94.7 | Very high | 94 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.9 | -22.8 | 175.4 | -167.6 | -94.2 | 0 | 0 | 0 | 112.5 | L15 V16 A23 K24 D28 Y29 R34 L37 E38 H296 | L15-Y26 HydrophobicContact CD1-CE2 4.08Å; L15-Y26 HydrophobicContact CD2-CE2 3.93Å; L15-Y26 HydrophobicContact CG-CD2 4.42Å; L15-Y26 HydrophobicContact CG-CE2 3.74Å; V16-Y26 HydrophobicContact CB-CG 4.42Å; V16-Y26 HydrophobicContact CG1-CD1 4.2Å; V16-Y26 HydrophobicContact CG1-CG 4.12Å; V16-Y26 HydrophobicContact CG2-CD1 3.8Å; V16-Y26 HydrophobicContact CG2-CD2 4.02Å; V16-Y26 HydrophobicContact CG2-CE1 3.9Å; V16-Y26 HydrophobicContact CG2-CE2 4.12Å; V16-Y26 HydrophobicContact CG2-CG 3.87Å; A23-Y26 WeakPolarHBondContact O-CB 3.24Å; A23-Y26 PolarHBondContact O-N 3.36Å; A23-Y26 VanDerWaalsContact O-N 3.14Å; K24-Y26 PolarHBondContact O-N 2.99Å; Y26-D28 PolarHBondContact O-N 3.06Å; Y26-Y29 AromaticContact CD2-CD2 3.84Å; Y26-Y29 HydrophobicContact CD2-CD2 3.84Å; Y26-Y29 AromaticContact CD2-CE2 3.85Å; Y26-Y29 HydrophobicContact CD2-CE2 3.85Å; Y26-Y29 HydrophobicContact CE2-CD2 4.07Å; Y26-Y29 HydrophobicContact CE2-CE2 4.16Å; Y26-Y29 HydrophobicContact CG-CD2 4.21Å; Y26-Y29 WeakPolarHBondContact O-CD2 3.34Å; Y26-Y29 PolarHBondContact O-N 2.81Å; Y26-R34 HydrophobicContact CD1-CG 4.41Å; Y26-R34 HydrophobicContact CE1-CB 4.38Å; Y26-R34 HydrophobicContact CE1-CG 3.8Å; Y26-L37 HydrophobicContact CE2-CB 4.27Å; Y26-L37 HydrophobicContact CE2-CD1 3.7Å; Y26-L37 WeakPolarHBondContact OH-CB 3.37Å; Y26-E38 WeakPolarHBondContact OH-CG 2.92Å; Y26-H296 AromaticContact CD2-NE2 3.92Å |
| 27 | S | 91 | Very high | 94 | Very high | 72 Ų | 72 | 59 Ų | 59 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.8 | -17.3 | 179.4 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | K24 L25 Y29 | K24-S27 WeakPolarHBondContact O-CA 3.42Å; K24-S27 VanDerWaalsContact O-CB 3.24Å; K24-S27 WeakPolarHBondContact O-CB 3.35Å; K24-S27 PolarHBondContact O-N 2.75Å; L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.02Å; S27-Y29 VanDerWaalsContact C-N 3.26Å; S27-Y29 PolarHBondContact O-N 2.85Å |
| 28 | D | 92.6 | Very high | 94 | Very high | 124 Ų | 124 | 61.5 Ų | 61.5 | 66% | 0.663 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.4 | 178.5 | -64.1 | -22.9 | 0 | 0 | 0 | 112.5 | Y26 | Y26-D28 PolarHBondContact O-N 3.06Š|
| 29 | Y | 96 | Very high | 94.1 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -67 | 143.6 | 173.8 | -76.1 | -55.6 | 0 | 0 | 0 | 112.3 | Y26 S27 E33 R34 L37 H296 Q299 I306 | Y26-Y29 AromaticContact CD2-CD2 3.84Å; Y26-Y29 HydrophobicContact CD2-CD2 3.84Å; Y26-Y29 AromaticContact CD2-CE2 3.85Å; Y26-Y29 HydrophobicContact CD2-CE2 3.85Å; Y26-Y29 HydrophobicContact CE2-CD2 4.07Å; Y26-Y29 HydrophobicContact CE2-CE2 4.16Å; Y26-Y29 HydrophobicContact CG-CD2 4.21Å; Y26-Y29 WeakPolarHBondContact O-CD2 3.34Å; Y26-Y29 PolarHBondContact O-N 2.81Å; S27-Y29 VanDerWaalsContact C-N 3.26Å; S27-Y29 PolarHBondContact O-N 2.85Å; Y29-E33 HydrophobicContact CD1-CB 3.77Å; Y29-E33 HydrophobicContact CD1-CG 4.31Å; Y29-E33 HydrophobicContact CG-CB 4.11Å; Y29-R34 HydrophobicContact CG-CG 4.47Å; Y29-L37 HydrophobicContact CD2-CD1 3.69Å; Y29-L37 HydrophobicContact CE1-CD1 4.34Å; Y29-L37 HydrophobicContact CE2-CD1 3.4Å; Y29-L37 VanDerWaalsContact CE2-CD1 3.4Å; Y29-L37 HydrophobicContact CG-CD1 4.26Å; Y29-H296 AromaticContact CE2-CE1 3.55Å; Y29-H296 AromaticContact CE2-ND1 3.25Å; Y29-H296 VanDerWaalsContact CE2-ND1 3.25Å; Y29-H296 WeakPolarHBondContact CE2-ND1 3.19Å; Y29-H296 AromaticContact CZ-ND1 3.47Å; Y29-H296 PolarHBondContact OH-ND1 3.12Å; Y29-Q299 HydrophobicContact CE1-CG 4.01Å; Y29-Q299 VanDerWaalsContact CE1-OE1 3.27Å; Y29-Q299 VanDerWaalsContact CZ-OE1 3.23Å; Y29-Q299 PolarHBondContact OH-OE1 2.89Å; Y29-I306 HydrophobicContact CE1-CD1 4.06Å |
| 30 | T | 95.4 | Very high | 94.2 | Very high | 82 Ų | 82 | 54 Ų | 54 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | trans | -60.6 | 162.8 | 167.9 | 62 | 0 | 0 | 0 | 0 | 111.2 | G32 E33 R34 | T30-G32 VanDerWaalsContact C-N 3.3Å; T30-G32 PolarHBondContact O-N 2.69Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.34Å; T30-E33 PolarHBondContact N-OE2 3.39Å; T30-E33 PolarHBondContact O-N 3.47Å; T30-E33 WeakPolarHBondContact OG1-CB 3.49Å; T30-E33 VanDerWaalsContact OG1-CG 3.25Å; T30-E33 WeakPolarHBondContact OG1-CG 3.12Å; T30-E33 PolarHBondContact OG1-N 3.48Å; T30-E33 PolarHBondContact OG1-OE2 2.94Å; T30-R34 WeakPolarHBondContact O-CG 3.3Å; T30-R34 PolarHBondContact O-N 3.49Å | ||
| 31 | E | 94.1 | Very high | 94.3 | Very high | 118 Ų | 118 | 49 Ų | 49 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -58.9 | -42.4 | 175.5 | -163.8 | -176.4 | 151.5 | 0 | 0 | 112.1 | R34 R35 | E31-R34 PolarHBondContact O-N 3.14Å; E31-R35 WeakPolarHBondContact O-CG 3.43Å; E31-R35 PolarHBondContact O-N 3.4Å; E31-R35 IonicContact OE1-CZ 3.72Å; E31-R35 IonicContact OE1-NH1 3.8Å; E31-R35 PolarHBondContact OE1-NH1 2.92Å; E31-R35 IonicContact OE2-NH1 3.73Å |
| 32 | G | 94.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | T30 R35 L36 | T30-G32 VanDerWaalsContact C-N 3.3Å; T30-G32 PolarHBondContact O-N 2.69Å; G32-R35 VanDerWaalsContact CA-NH2 3.32Å; G32-R35 PolarHBondContact O-N 2.81Å; G32-L36 PolarHBondContact O-N 2.9Å |
| 33 | E | 96.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 177 | -73 | 168.2 | 135.8 | 0 | 0 | 112 | Y29 T30 L36 L37 I306 L360 | Y29-E33 HydrophobicContact CD1-CB 3.77Å; Y29-E33 HydrophobicContact CD1-CG 4.31Å; Y29-E33 HydrophobicContact CG-CB 4.11Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.34Å; T30-E33 PolarHBondContact N-OE2 3.39Å; T30-E33 PolarHBondContact O-N 3.47Å; T30-E33 WeakPolarHBondContact OG1-CB 3.49Å; T30-E33 VanDerWaalsContact OG1-CG 3.25Å; T30-E33 WeakPolarHBondContact OG1-CG 3.12Å; T30-E33 PolarHBondContact OG1-N 3.48Å; T30-E33 PolarHBondContact OG1-OE2 2.94Å; E33-L36 PolarHBondContact O-N 3.48Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 3.45Å; E33-L37 PolarHBondContact O-N 3.2Å; E33-I306 HydrophobicContact CB-CD1 4.34Å; E33-I306 HydrophobicContact CG-CB 4.41Å; E33-I306 HydrophobicContact CG-CD1 4.18Å; E33-I306 PolarHBondContact OE1-N 3.13Å; E33-L360 HydrophobicContact CB-CD2 4.41Å; E33-L360 HydrophobicContact CG-CD2 3.86Å |
| 34 | R | 95.8 | Very high | 94.3 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 34% | 0.343 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.5 | -70.6 | -172.8 | -67.8 | -167.7 | 0.2 | 111.6 | Y26 Y29 T30 E31 L36 L37 E38 | Y26-R34 HydrophobicContact CD1-CG 4.41Å; Y26-R34 HydrophobicContact CE1-CB 4.38Å; Y26-R34 HydrophobicContact CE1-CG 3.8Å; Y29-R34 HydrophobicContact CG-CG 4.47Å; T30-R34 WeakPolarHBondContact O-CG 3.3Å; T30-R34 PolarHBondContact O-N 3.49Å; E31-R34 PolarHBondContact O-N 3.14Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.07Å; R34-L37 PolarHBondContact O-N 2.97Å; R34-E38 WeakPolarHBondContact O-CB 3.26Å; R34-E38 VanDerWaalsContact O-CG 3.28Å; R34-E38 WeakPolarHBondContact O-CG 3.43Å; R34-E38 PolarHBondContact O-N 3.13Å |
| 35 | R | 94.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 176.8 | -73.9 | -176.9 | -55.6 | -125.5 | -0.8 | 111.7 | E31 G32 E38 E39 I362 S363 | E31-R35 WeakPolarHBondContact O-CG 3.43Å; E31-R35 PolarHBondContact O-N 3.4Å; E31-R35 IonicContact OE1-CZ 3.72Å; E31-R35 IonicContact OE1-NH1 3.8Å; E31-R35 PolarHBondContact OE1-NH1 2.92Å; E31-R35 IonicContact OE2-NH1 3.73Å; G32-R35 VanDerWaalsContact CA-NH2 3.32Å; G32-R35 PolarHBondContact O-N 2.81Å; R35-E38 PolarHBondContact O-N 3.37Å; R35-E39 PolarHBondContact O-N 2.92Å; R35-I362 PolarHBondContact NH2-O 2.97Å; R35-S363 PolarHBondContact NH1-OXT 3.36Å; R35-S363 PolarHBondContact NH2-OXT 3.23Å |
| 36 | L | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 175 | 176 | 74.8 | 0 | 0 | 0 | 111.6 | G32 E33 R34 E38 E39 L49 I306 Y310 C356 R359 L360 | G32-L36 PolarHBondContact O-N 2.9Å; E33-L36 PolarHBondContact O-N 3.48Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.07Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 2.91Å; L36-E39 WeakPolarHBondContact O-CB 3.48Å; L36-E39 PolarHBondContact O-N 3.36Å; L36-L49 HydrophobicContact CD1-CD1 3.61Å; L36-I306 HydrophobicContact CD2-CG2 3.8Å; L36-Y310 HydrophobicContact CD2-CE2 3.67Å; L36-C356 HydrophobicContact CD1-CB 4.02Å; L36-R359 HydrophobicContact CD1-CB 4.35Å; L36-L360 HydrophobicContact CB-CD2 3.96Å; L36-L360 HydrophobicContact CB-CG 4.42Å; L36-L360 HydrophobicContact CD2-CD1 4Å; L36-L360 HydrophobicContact CD2-CD2 3.75Å; L36-L360 HydrophobicContact CD2-CG 3.91Å; L36-L360 HydrophobicContact CG-CD2 4.45Å |
| 37 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -36.5 | -178.9 | -68.1 | 171.5 | 0 | 0 | 0 | 111.7 | L15 Y26 Y29 E33 R34 E39 G40 P292 L295 I306 | L15-L37 HydrophobicContact CD2-CB 4.16Å; Y26-L37 HydrophobicContact CE2-CB 4.27Å; Y26-L37 HydrophobicContact CE2-CD1 3.7Å; Y26-L37 WeakPolarHBondContact OH-CB 3.37Å; Y29-L37 HydrophobicContact CD2-CD1 3.69Å; Y29-L37 HydrophobicContact CE1-CD1 4.34Å; Y29-L37 HydrophobicContact CE2-CD1 3.4Å; Y29-L37 VanDerWaalsContact CE2-CD1 3.4Å; Y29-L37 HydrophobicContact CG-CD1 4.26Å; E33-L37 VanDerWaalsContact O-CG 3.29Å; E33-L37 WeakPolarHBondContact O-CG 3.45Å; E33-L37 PolarHBondContact O-N 3.2Å; R34-L37 PolarHBondContact O-N 2.97Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.8Å; L37-G40 PolarHBondContact O-N 3.47Å; L37-G40 VanDerWaalsContact O-N 3.17Å; L37-P292 HydrophobicContact CB-CB 4.29Å; L37-P292 HydrophobicContact CD2-CB 3.81Å; L37-P292 VanDerWaalsContact O-CB 3.28Å; L37-P292 WeakPolarHBondContact O-CB 3.43Å; L37-L295 HydrophobicContact CD2-CB 4.42Å; L37-L295 HydrophobicContact CD2-CD2 3.92Å; L37-L295 HydrophobicContact CD2-CG 4.29Å; L37-I306 HydrophobicContact CD1-CD1 4.4Å; L37-I306 HydrophobicContact CD2-CD1 4.35Å; L37-I306 HydrophobicContact CG-CD1 4.44Å |
| 38 | E | 95.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.6 | -17.3 | 179.8 | -71.5 | -173.1 | 143.6 | 0 | 0 | 113.9 | R12 Y26 R34 R35 L36 G40 L41 | R12-E38 IonicContact CZ-OE1 3.45Å; R12-E38 IonicContact NH1-OE1 2.68Å; R12-E38 PolarHBondContact NH1-OE1 3.23Å; R12-E38 IonicContact NH2-OE1 3.71Å; Y26-E38 WeakPolarHBondContact OH-CG 2.92Å; R34-E38 WeakPolarHBondContact O-CB 3.26Å; R34-E38 VanDerWaalsContact O-CG 3.28Å; R34-E38 WeakPolarHBondContact O-CG 3.43Å; R34-E38 PolarHBondContact O-N 3.13Å; R35-E38 PolarHBondContact O-N 3.37Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 2.91Å; E38-G40 PolarHBondContact O-N 3.06Å; E38-G40 VanDerWaalsContact O-N 3.16Å; E38-L41 HydrophobicContact CB-CD1 4.04Å; E38-L41 HydrophobicContact CB-CG 4.42Å; E38-L41 HydrophobicContact CG-CD1 4.01Å; E38-L41 VanDerWaalsContact O-CB 3.22Å; E38-L41 WeakPolarHBondContact O-CB 3.25Å; E38-L41 VanDerWaalsContact O-CG 3.29Å; E38-L41 WeakPolarHBondContact O-CG 3.45Å; E38-L41 PolarHBondContact O-N 2.91Å |
| 39 | E | 93.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -55.9 | -28.6 | 166.7 | -77 | -81.4 | 157.3 | 0 | 0 | 112 | R35 L36 L37 L41 H42 S48 F50 R359 | R35-E39 PolarHBondContact O-N 2.92Å; L36-E39 WeakPolarHBondContact O-CB 3.48Å; L36-E39 PolarHBondContact O-N 3.36Å; L37-E39 VanDerWaalsContact C-N 3.31Å; L37-E39 PolarHBondContact O-N 2.8Å; E39-L41 PolarHBondContact O-N 3.4Å; E39-H42 PolarHBondContact O-N 2.94Å; E39-S48 PolarHBondContact O-OG 2.82Å; E39-F50 HydrophobicContact CB-CD2 3.85Å; E39-F50 HydrophobicContact CB-CE2 3.89Å; E39-R359 IonicContact OE1-CZ 3.76Å; E39-R359 IonicContact OE1-NH1 3.62Å; E39-R359 PolarHBondContact OE1-NH1 3.05Å; E39-R359 IonicContact OE1-NH2 2.86Å |
| 40 | G | 93.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -70.8 | -8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L37 E38 H42 P43 M270 | L37-G40 PolarHBondContact O-N 3.47Å; L37-G40 VanDerWaalsContact O-N 3.17Å; E38-G40 PolarHBondContact O-N 3.06Å; E38-G40 VanDerWaalsContact O-N 3.16Å; G40-H42 PolarHBondContact O-N 3.28Å; G40-P43 WeakPolarHBondContact O-CD 3.4Å; G40-M270 VanDerWaalsContact O-CE 3.25Å; G40-M270 WeakPolarHBondContact O-CE 3.48Å |
| 41 | L | 95.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -76.7 | -14.3 | 175.4 | -59.9 | -177.8 | 0 | 0 | 0 | 112.5 | E8 L11 R12 L15 E38 E39 P43 | E8-L41 HydrophobicContact CG-CB 4.25Å; L11-L41 HydrophobicContact CB-CD2 3.8Å; R12-L41 HydrophobicContact CB-CD1 4.47Å; R12-L41 HydrophobicContact CB-CD2 3.92Å; R12-L41 VanDerWaalsContact CZ-CD1 3.44Å; L15-L41 HydrophobicContact CD2-CD2 4.45Å; E38-L41 HydrophobicContact CB-CD1 4.04Å; E38-L41 HydrophobicContact CB-CG 4.42Å; E38-L41 HydrophobicContact CG-CD1 4.01Å; E38-L41 VanDerWaalsContact O-CB 3.22Å; E38-L41 WeakPolarHBondContact O-CB 3.25Å; E38-L41 VanDerWaalsContact O-CG 3.29Å; E38-L41 WeakPolarHBondContact O-CG 3.45Å; E38-L41 PolarHBondContact O-N 2.91Å; E39-L41 PolarHBondContact O-N 3.4Å; L41-P43 VanDerWaalsContact C-CD 3.49Å |
| 42 | H | 93.1 | Very high | 92.9 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 27% | 0.269 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -132.4 | 55.1 | -178 | -57.1 | 127.2 | 0 | 0 | 0 | 112.7 | E8 E39 G40 G44 K45 S48 | E8-H42 IonicContact OE1-CE1 2.79Å; E8-H42 IonicContact OE1-NE2 3.88Å; E8-H42 IonicContact OE2-CD2 3.54Å; E8-H42 IonicContact OE2-CE1 3.64Å; E8-H42 IonicContact OE2-NE2 3.96Å; E8-H42 PolarHBondContact OE2-NE2 3.26Å; E39-H42 PolarHBondContact O-N 2.94Å; G40-H42 PolarHBondContact O-N 3.28Å; H42-G44 PolarHBondContact O-N 3.17Å; H42-K45 HydrophobicContact CB-CD 3.63Å; H42-K45 HydrophobicContact CB-CG 3.98Å; H42-K45 PolarHBondContact CD2-NZ 3.3Å; H42-K45 PolarHBondContact O-N 3.21Å; H42-S48 PolarHBondContact O-OG 2.8Å |
| 43 | P | 92.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 137.6 | -173.3 | 29.2 | -35.1 | 0 | 0 | 0 | 111.2 | L11 G40 L41 K45 F50 P52 | L11-P43 HydrophobicContact CD1-CG 4.15Å; G40-P43 WeakPolarHBondContact O-CD 3.4Å; L41-P43 VanDerWaalsContact C-CD 3.49Å; P43-K45 VanDerWaalsContact C-N 3.29Å; P43-K45 PolarHBondContact O-N 3.42Å; P43-F50 CarbonylContact C-O 3.49Å; P43-F50 VanDerWaalsContact CA-O 3.28Å; P43-F50 WeakPolarHBondContact CA-O 3.31Å; P43-P52 HydrophobicContact CB-CB 4.45Å |
| 44 | G | 90.3 | Very high | 92.9 | Very high | 39 Ų | 39 | 48 Ų | 48 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -0.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | H42 F50 | H42-G44 PolarHBondContact O-N 3.17Å; G44-F50 PolarHBondContact N-O 2.79Å |
| 45 | K | 88.8 | Confident | 92.8 | Very high | 120 Ų | 120 | 44.5 Ų | 44.5 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -64.3 | 149 | 166.7 | -72.1 | -165.7 | -169.3 | 163.7 | 0 | 110 | H42 P43 G47 S48 | H42-K45 HydrophobicContact CB-CD 3.63Å; H42-K45 HydrophobicContact CB-CG 3.98Å; H42-K45 PolarHBondContact CD2-NZ 3.3Å; H42-K45 PolarHBondContact O-N 3.21Å; P43-K45 VanDerWaalsContact C-N 3.29Å; P43-K45 PolarHBondContact O-N 3.42Å; K45-G47 PolarHBondContact O-N 3.29Å; K45-G47 VanDerWaalsContact O-N 3.17Å; K45-S48 WeakPolarHBondContact O-CB 3.35Å; K45-S48 PolarHBondContact O-N 3.12Å |
| 46 | R | 84.2 | Confident | 92.8 | Very high | 260 Ų | 260 | 45 Ų | 45 | 98% | 0.981 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 122.7 | 178.5 | -174.6 | -179.6 | -178.6 | -174.7 | 0.3 | 110.1 | S48 | R46-S48 VanDerWaalsContact C-N 3.33Š|
| 47 | G | 80.7 | Confident | 92.6 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K45 R359 | K45-G47 PolarHBondContact O-N 3.29Å; K45-G47 VanDerWaalsContact O-N 3.17Å; G47-R359 PolarHBondContact O-NH2 3.15Å |
| 48 | S | 86.9 | Confident | 92.4 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | trans | -72.3 | 140.4 | 172 | -178 | 0 | 0 | 0 | 0 | 111 | E39 H42 K45 R46 F50 | E39-S48 PolarHBondContact O-OG 2.82Å; H42-S48 PolarHBondContact O-OG 2.8Å; K45-S48 WeakPolarHBondContact O-CB 3.35Å; K45-S48 PolarHBondContact O-N 3.12Å; R46-S48 VanDerWaalsContact C-N 3.33Å; S48-F50 VanDerWaalsContact C-N 3.29Å; S48-F50 PolarHBondContact OG-N 3.27Å; S48-F50 PolarHBondContact OG-O 3.37Å | ||
| 49 | L | 93.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -74.4 | -19.4 | 176.2 | -65 | 171.2 | 0 | 0 | 0 | 113 | L36 W352 R359 | L36-L49 HydrophobicContact CD1-CD1 3.61Å; L49-W352 PolarHBondContact O-NE1 2.93Å; L49-R359 HydrophobicContact CD1-CG 3.87Å |
| 50 | F | 95.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -116.7 | 142.9 | -172.4 | -58.4 | -76.6 | 0 | 0 | 0 | 110.9 | E39 P43 G44 S48 M270 P292 W352 | E39-F50 HydrophobicContact CB-CD2 3.85Å; E39-F50 HydrophobicContact CB-CE2 3.89Å; P43-F50 CarbonylContact C-O 3.49Å; P43-F50 VanDerWaalsContact CA-O 3.28Å; P43-F50 WeakPolarHBondContact CA-O 3.31Å; G44-F50 PolarHBondContact N-O 2.79Å; S48-F50 VanDerWaalsContact C-N 3.29Å; S48-F50 PolarHBondContact OG-N 3.27Å; S48-F50 PolarHBondContact OG-O 3.37Å; F50-M270 HydrophobicContact CB-SD 4.06Å; F50-M270 HydrophobicContact CG-SD 4.45Å; F50-P292 HydrophobicContact CD1-CG 3.96Å; F50-P292 HydrophobicContact CD2-CG 3.76Å; F50-P292 VanDerWaalsContact CE1-CD 3.44Å; F50-P292 HydrophobicContact CE1-CG 3.63Å; F50-P292 HydrophobicContact CE2-CG 3.45Å; F50-P292 VanDerWaalsContact CE2-CG 3.45Å; F50-P292 HydrophobicContact CG-CG 4.01Å; F50-P292 HydrophobicContact CZ-CG 3.39Å; F50-W352 HydrophobicContact CD1-CZ2 4.37Å; F50-W352 HydrophobicContact CE1-CH2 4.45Å; F50-W352 AromaticContact CE1-CZ2 3.62Å; F50-W352 HydrophobicContact CE1-CZ2 3.62Å; F50-W352 HydrophobicContact CZ-CZ2 4.05Å | ||
| 51 | Q | 95.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | trans | -115.3 | 144.4 | -176.2 | -63.4 | -58.5 | -43.1 | 0 | 0 | 110.7 | M270 N271 | Q51-M270 WeakPolarHBondContact O-CB 3.37Å; Q51-N271 HydrophobicContact CB-CB 4.3Å; Q51-N271 WeakPolarHBondContact O-CB 3.34Å; Q51-N271 PolarHBondContact O-N 3.09Å | ||
| 52 | P | 96.3 | Very high | 92 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 7% | 0.071 | 29% | 0.291 | C | S | . | . | trans | -67.6 | 167.9 | 174.1 | 32.4 | -36.7 | 0 | 0 | 0 | 109.9 | V3 P43 T54 N271 | V3-P52 HydrophobicContact CG1-CB 3.6Å; V3-P52 HydrophobicContact CG1-CG 3.46Å; V3-P52 VanDerWaalsContact CG1-CG 3.46Å; P43-P52 HydrophobicContact CB-CB 4.45Å; P52-T54 PolarHBondContact O-N 2.91Å; P52-N271 PolarHBondContact O-ND2 3.46Å; P52-N271 PolarHBondContact O-OD1 2.8Å | ||
| 53 | I | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.2 | 176.5 | -48.1 | 178.1 | 0 | 0 | 0 | 109 | V3 V4 L55 I62 Q268 Q275 | V3-I53 CarbonylContact C-O 3.58Å; V3-I53 WeakPolarHBondContact CA-O 3.4Å; V4-I53 HydrophobicContact CB-CB 4.03Å; V4-I53 HydrophobicContact CG2-CB 4.11Å; V4-I53 HydrophobicContact CG2-CG2 4.47Å; V4-I53 PolarHBondContact N-O 2.76Å; I53-L55 HydrophobicContact CG2-CD2 4.2Å; I53-I62 HydrophobicContact CD1-CD1 3.64Å; I53-I62 HydrophobicContact CG2-CD1 3.89Å; I53-Q268 VanDerWaalsContact CD1-C 3.47Å; I53-Q268 WeakPolarHBondContact CD1-O 3.28Å; I53-Q275 VanDerWaalsContact CD1-NE2 3.34Å |
| 54 | T | 95.4 | Very high | 92 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.2 | 172.5 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | M1 P52 H56 | M1-T54 HydrophobicContact CE-CG2 3.92Å; M1-T54 HydrophobicContact CG-CG2 3.29Å; M1-T54 HydrophobicContact SD-CG2 3.57Å; M1-T54 VanDerWaalsContact SD-CG2 3.57Å; P52-T54 PolarHBondContact O-N 2.91Å; T54-H56 PolarHBondContact O-CD2 3.01Å |
| 55 | L | 94.4 | Very high | 92 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129 | 174.4 | -57.1 | 175.4 | 0 | 0 | 0 | 109.9 | M1 N2 V4 I53 D60 I62 V63 | M1-L55 CarbonylContact C-O 3.52Å; M1-L55 WeakPolarHBondContact CA-O 3.26Å; N2-L55 HydrophobicContact CB-CB 4.34Å; N2-L55 PolarHBondContact N-O 2.8Å; N2-L55 WeakPolarHBondContact O-CB 3.36Å; N2-L55 PolarHBondContact O-N 3.43Å; V4-L55 HydrophobicContact CG2-CD1 3.75Å; V4-L55 HydrophobicContact CG2-CD2 4.49Å; V4-L55 HydrophobicContact CG2-CG 3.97Å; I53-L55 HydrophobicContact CG2-CD2 4.2Å; L55-D60 WeakPolarHBondContact CA-OD2 3.24Å; L55-D60 HydrophobicContact CD2-CB 4.31Å; L55-I62 HydrophobicContact CD2-CB 4.22Å; L55-V63 HydrophobicContact CD1-CG2 3.85Å; L55-V63 HydrophobicContact CD2-CG2 4.36Å |
| 56 | H | 94.4 | Very high | 92.1 | Very high | 82 Ų | 82 | 57.7 Ų | 57.7 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | trans | -102.8 | -29.8 | -178.4 | -73.1 | -113.5 | 0 | 0 | 0 | 112.7 | M1 T54 D60 R285 | M1-H56 WeakPolarHBondContact CE-CE1 3.48Å; T54-H56 PolarHBondContact O-CD2 3.01Å; H56-D60 PolarHBondContact N-OD2 3.21Å; H56-R285 PolarHBondContact CD2-NE 3.48Å; H56-R285 VanDerWaalsContact NE2-CD 3.33Å; H56-R285 WeakPolarHBondContact NE2-CD 3.48Å | ||
| 57 | S | 92.5 | Very high | 92.5 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -153.6 | 167.1 | -175.2 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | S59 D60 | S57-S59 PolarHBondContact O-N 3.24Å; S57-S59 PolarHBondContact OG-N 3.07Å; S57-S59 PolarHBondContact OG-OG 2.93Å; S57-D60 PolarHBondContact N-OD1 3.24Å; S57-D60 WeakPolarHBondContact O-CB 3.18Å; S57-D60 PolarHBondContact O-N 3.21Å; S57-D60 PolarHBondContact OG-N 3.28Å; S57-D60 PolarHBondContact OG-OD1 3.17Å |
| 58 | D | 92 | Very high | 93.2 | Very high | 139 Ų | 139 | 54 Ų | 54 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -11 | 173 | -61.7 | -27.1 | 0 | 0 | 0 | 112.8 | V63 | D58-V63 HydrophobicContact CB-CG1 4.33Š|
| 59 | S | 91.1 | Very high | 93.6 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.6 | 172.7 | 54 | 0 | 0 | 0 | 0 | 113.9 | S57 N278 | S57-S59 PolarHBondContact O-N 3.24Å; S57-S59 PolarHBondContact OG-N 3.07Å; S57-S59 PolarHBondContact OG-OG 2.93Å; S59-N278 WeakPolarHBondContact O-CB 3.37Å; S59-N278 PolarHBondContact O-ND2 3.21Å |
| 60 | D | 92.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -61.9 | 140.5 | 173.8 | -71.8 | 25.9 | 0 | 0 | 0 | 109.2 | L55 H56 S57 I62 V63 A64 H279 E282 R285 | L55-D60 WeakPolarHBondContact CA-OD2 3.24Å; L55-D60 HydrophobicContact CD2-CB 4.31Å; H56-D60 PolarHBondContact N-OD2 3.21Å; S57-D60 PolarHBondContact N-OD1 3.24Å; S57-D60 WeakPolarHBondContact O-CB 3.18Å; S57-D60 PolarHBondContact O-N 3.21Å; S57-D60 PolarHBondContact OG-N 3.28Å; S57-D60 PolarHBondContact OG-OD1 3.17Å; D60-I62 VanDerWaalsContact C-N 3.32Å; D60-I62 PolarHBondContact O-N 2.99Å; D60-I62 VanDerWaalsContact O-N 3.16Å; D60-V63 PolarHBondContact O-N 3.33Å; D60-A64 PolarHBondContact O-N 3.4Å; D60-H279 IonicContact OD1-NE2 3.25Å; D60-E282 WeakPolarHBondContact CA-OE1 3.32Å; D60-R285 IonicContact OD1-NH2 3.94Å; D60-R285 PolarHBondContact OD1-NH2 3.37Å; D60-R285 IonicContact OD2-NH2 3.5Å; D60-R285 PolarHBondContact OD2-NH2 2.9Å |
| 61 | W | 93.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 19% | 0.193 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -51 | -46.9 | -168.1 | 179.5 | -85.4 | 0 | 0 | 0 | 113.6 | V63 A64 H65 E67 H266 G276 N278 E282 | W61-V63 PolarHBondContact O-N 2.63Å; W61-A64 PolarHBondContact O-N 2.82Å; W61-H65 HydrophobicContact CD2-CB 4.29Å; W61-H65 AromaticContact CD2-ND1 3.73Å; W61-H65 AromaticContact CE3-CE1 3.96Å; W61-H65 AromaticContact CE3-ND1 3.57Å; W61-H65 HydrophobicContact CZ2-CB 4.18Å; W61-H65 AromaticContact CZ3-CE1 3.96Å; W61-H65 AromaticContact CZ3-ND1 3.87Å; W61-H65 WeakPolarHBondContact O-CA 3.36Å; W61-H65 WeakPolarHBondContact O-CB 3.27Å; W61-H65 PolarHBondContact O-N 3.34Å; W61-E67 PolarHBondContact NE1-OE2 2.79Å; W61-H266 AromaticContact CE2-CE1 3.67Å; W61-H266 AromaticContact CE2-ND1 3.69Å; W61-H266 AromaticContact CZ2-CE1 3.36Å; W61-H266 WeakPolarHBondContact CZ2-CE1 3.36Å; W61-H266 AromaticContact CZ2-ND1 3.65Å; W61-H266 AromaticContact NE1-CE1 3.88Å; W61-H266 AromaticContact NE1-ND1 3.44Å; W61-H266 PolarHBondContact NE1-ND1 3.42Å; W61-G276 VanDerWaalsContact CB-C 3.48Å; W61-G276 WeakPolarHBondContact CB-O 3.34Å; W61-G276 VanDerWaalsContact CG-C 3.46Å; W61-N278 HydrophobicContact CE3-CB 4.37Å; W61-E282 PolarHBondContact N-OE1 3.37Å; W61-E282 PolarHBondContact N-OE2 2.8Å |
| 62 | I | 93.4 | Very high | 94 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -33.4 | -177 | -71.9 | 169.8 | 0 | 0 | 0 | 112.2 | I53 L55 D60 | I53-I62 HydrophobicContact CD1-CD1 3.64Å; I53-I62 HydrophobicContact CG2-CD1 3.89Å; L55-I62 HydrophobicContact CD2-CB 4.22Å; D60-I62 VanDerWaalsContact C-N 3.32Å; D60-I62 PolarHBondContact O-N 2.99Å; D60-I62 VanDerWaalsContact O-N 3.16Å |
| 63 | V | 92.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -81.6 | -44.6 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | L55 D58 D60 W61 | L55-V63 HydrophobicContact CD1-CG2 3.85Å; L55-V63 HydrophobicContact CD2-CG2 4.36Å; D58-V63 HydrophobicContact CB-CG1 4.33Å; D60-V63 PolarHBondContact O-N 3.33Å; W61-V63 PolarHBondContact O-N 2.63Å |
| 64 | A | 91.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 56 Ų | 56 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.4 | -29.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D60 W61 | D60-A64 PolarHBondContact O-N 3.4Å; W61-A64 PolarHBondContact O-N 2.82Å |
| 65 | H | 90.4 | Very high | 94.2 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -131.9 | 82.4 | -176.4 | -54.1 | 94 | 0 | 0 | 0 | 109.6 | W61 E67 | W61-H65 HydrophobicContact CD2-CB 4.29Å; W61-H65 AromaticContact CD2-ND1 3.73Å; W61-H65 AromaticContact CE3-CE1 3.96Å; W61-H65 AromaticContact CE3-ND1 3.57Å; W61-H65 HydrophobicContact CZ2-CB 4.18Å; W61-H65 AromaticContact CZ3-CE1 3.96Å; W61-H65 AromaticContact CZ3-ND1 3.87Å; W61-H65 WeakPolarHBondContact O-CA 3.36Å; W61-H65 WeakPolarHBondContact O-CB 3.27Å; W61-H65 PolarHBondContact O-N 3.34Å; H65-E67 PolarHBondContact O-N 2.91Å; H65-E67 VanDerWaalsContact O-N 3.15Å |
| 66 | P | 91.6 | Very high | 94.3 | Very high | 117 Ų | 117 | 57.4 Ų | 57.4 | 76% | 0.76 | 31% | 0.314 | S | S | * | . | trans | -60.8 | 118.4 | 175.8 | -22.7 | 33.9 | 0 | 0 | 0 | 110.8 | ||||
| 67 | E | 93.4 | Very high | 94.3 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | trans | -122.4 | 156.5 | 173.2 | -51.3 | 159.3 | 116.6 | 0 | 0 | 109.3 | W61 H65 H266 Q268 | W61-E67 PolarHBondContact NE1-OE2 2.79Å; H65-E67 PolarHBondContact O-N 2.91Å; H65-E67 VanDerWaalsContact O-N 3.15Å; E67-H266 IonicContact OE1-CE1 3.98Å; E67-H266 IonicContact OE1-CG 3.36Å; E67-H266 IonicContact OE1-ND1 3.34Å; E67-H266 PolarHBondContact OE1-ND1 3.35Å; E67-H266 WeakPolarHBondContact OE2-CB 3.49Å; E67-H266 IonicContact OE2-CG 3.57Å; E67-H266 IonicContact OE2-ND1 3.72Å; E67-H266 PolarHBondContact OE2-ND1 3.37Å; E67-Q268 VanDerWaalsContact C-NE2 3.31Å; E67-Q268 VanDerWaalsContact CB-NE2 3.31Å; E67-Q268 VanDerWaalsContact O-CD 3.23Å; E67-Q268 PolarHBondContact O-NE2 3.37Å; E67-Q268 PolarHBondContact O-OE1 2.87Å | ||
| 68 | E | 94.2 | Very high | 94.3 | Very high | 171 Ų | 171 | 60.8 Ų | 60.8 | 80% | 0.799 | 32% | 0.319 | S | S | * | . | trans | -77.1 | 133.6 | 172.2 | -72 | -61.7 | 146.5 | 0 | 0 | 110.5 | Q70 | E68-Q70 PolarHBondContact O-N 2.65Š| ||
| 69 | P | 95.7 | Very high | 94.2 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | trans | -59.6 | 128.9 | 174.3 | -21.1 | 30.5 | 0 | 0 | 0 | 111.3 | Q268 W269 | P69-Q268 HydrophobicContact CB-CB 4.19Å; P69-Q268 HydrophobicContact CG-CB 4.12Å; P69-W269 HydrophobicContact CB-CD2 4.43Å; P69-W269 HydrophobicContact CB-CH2 4.15Å; P69-W269 HydrophobicContact CB-CZ2 3.53Å | ||
| 70 | Q | 97.3 | Very high | 94 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.028 | 33% | 0.334 | C | S | . | . | trans | -87.3 | 110.8 | 168.9 | -169 | -166.7 | 51.7 | 0 | 0 | 108.6 | E68 A74 F75 G263 K265 W269 K297 | E68-Q70 PolarHBondContact O-N 2.65Å; Q70-A74 HydrophobicContact CG-CB 4.23Å; Q70-F75 HydrophobicContact CG-CB 4.09Å; Q70-G263 PolarHBondContact NE2-O 2.89Å; Q70-K265 HydrophobicContact CB-CB 4.05Å; Q70-K265 HydrophobicContact CB-CD 4.24Å; Q70-K265 HydrophobicContact CG-CD 4.35Å; Q70-W269 PolarHBondContact O-NE1 3.28Å; Q70-K297 PolarHBondContact O-NZ 3.22Å | ||
| 71 | D | 98 | Very high | 93.8 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | trans | -80 | -179.5 | 166.6 | 58.3 | 30 | 0 | 0 | 0 | 111.9 | A14 E73 A74 F75 W269 K297 | A14-D71 HydrophobicContact CB-CB 3.84Å; D71-E73 PolarHBondContact OD1-N 3.3Å; D71-A74 WeakPolarHBondContact OD1-CB 3.34Å; D71-A74 PolarHBondContact OD1-N 3.42Å; D71-F75 WeakPolarHBondContact O-CB 3.48Å; D71-F75 PolarHBondContact O-N 3.18Å; D71-F75 VanDerWaalsContact O-N 3.13Å; D71-W269 HydrophobicContact CB-CZ2 3.89Å; D71-K297 VanDerWaalsContact O-CE 3.25Å; D71-K297 WeakPolarHBondContact O-CE 3.4Å | ||
| 72 | F | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 177.1 | 178.3 | -111.9 | 0 | 0 | 0 | 112.6 | A14 V22 L25 F75 Y76 H296 K297 V300 | A14-F72 WeakPolarHBondContact O-CB 3.25Å; A14-F72 PolarHBondContact O-N 3.45Å; V22-F72 HydrophobicContact CG1-CD1 3.73Å; V22-F72 HydrophobicContact CG1-CE1 3.45Å; V22-F72 VanDerWaalsContact CG1-CE1 3.45Å; V22-F72 HydrophobicContact CG1-CZ 4.5Å; L25-F72 HydrophobicContact CB-CZ 4.48Å; L25-F72 HydrophobicContact CD1-CE1 4.12Å; L25-F72 HydrophobicContact CD1-CZ 3.9Å; F72-F75 HydrophobicContact CD2-CD1 4.29Å; F72-F75 HydrophobicContact CE2-CD1 4.34Å; F72-F75 PolarHBondContact O-N 2.86Å; F72-Y76 HydrophobicContact CZ-CD2 4.11Å; F72-Y76 HydrophobicContact CZ-CG 4.44Å; F72-Y76 WeakPolarHBondContact O-CB 3.37Å; F72-Y76 PolarHBondContact O-N 3.18Å; F72-H296 AromaticContact CD1-CD2 3.57Å; F72-H296 AromaticContact CD1-NE2 3.36Å; F72-H296 WeakPolarHBondContact CD1-NE2 3.19Å; F72-H296 AromaticContact CD2-CD2 3.24Å; F72-H296 WeakPolarHBondContact CD2-CD2 3.33Å; F72-H296 AromaticContact CD2-CG 3.93Å; F72-H296 AromaticContact CD2-NE2 3.64Å; F72-H296 AromaticContact CE1-CD2 3.82Å; F72-H296 AromaticContact CE1-NE2 3.18Å; F72-H296 WeakPolarHBondContact CE1-NE2 3.37Å; F72-H296 AromaticContact CE2-CD2 3.52Å; F72-H296 AromaticContact CE2-CE1 3.92Å; F72-H296 AromaticContact CE2-NE2 3.48Å; F72-H296 WeakPolarHBondContact CE2-NE2 3.3Å; F72-H296 AromaticContact CG-CD2 3.27Å; F72-H296 WeakPolarHBondContact CG-CD2 3.39Å; F72-H296 AromaticContact CG-NE2 3.59Å; F72-H296 AromaticContact CZ-CD2 3.82Å; F72-H296 AromaticContact CZ-CE1 3.73Å; F72-H296 AromaticContact CZ-NE2 3.26Å; F72-H296 VanDerWaalsContact CZ-NE2 3.26Å; F72-H296 WeakPolarHBondContact CZ-NE2 3.33Å; F72-K297 HydrophobicContact CD2-CG 3.96Å; F72-V300 HydrophobicContact CE2-CB 4Å; F72-V300 HydrophobicContact CE2-CG1 4.2Å; F72-V300 HydrophobicContact CE2-CG2 3.83Å; F72-V300 HydrophobicContact CZ-CB 4.21Å; F72-V300 HydrophobicContact CZ-CG1 4.08Å; F72-V300 HydrophobicContact CZ-CG2 3.78Å |
| 73 | E | 97.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 69.8 Ų | 69.8 | 22% | 0.22 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -49.5 | -179.5 | -173.2 | 179 | 135.7 | 0 | 0 | 111.8 | S17 L19 D71 F75 Y76 R77 | S17-E73 PolarHBondContact OG-OE2 3.49Å; L19-E73 VanDerWaalsContact CD1-CD 3.42Å; L19-E73 HydrophobicContact CD1-CG 4.06Å; L19-E73 WeakPolarHBondContact CD1-OE1 3.17Å; L19-E73 WeakPolarHBondContact CG-OE1 3.24Å; L19-E73 WeakPolarHBondContact CG-OE2 3.48Å; D71-E73 PolarHBondContact OD1-N 3.3Å; E73-F75 VanDerWaalsContact C-N 3.29Å; E73-F75 PolarHBondContact O-N 2.97Å; E73-Y76 PolarHBondContact O-N 3.41Å; E73-R77 HydrophobicContact CG-CG 4.44Å; E73-R77 WeakPolarHBondContact O-CB 3.4Å; E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.46Å; E73-R77 PolarHBondContact O-N 2.84Å |
| 74 | A | 97 | Very high | 93.5 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q70 D71 D78 | Q70-A74 HydrophobicContact CG-CB 4.23Å; D71-A74 WeakPolarHBondContact OD1-CB 3.34Å; D71-A74 PolarHBondContact OD1-N 3.42Å; A74-D78 PolarHBondContact O-N 3.35Å |
| 75 | F | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -54.2 | 171.8 | 167.1 | -100.7 | 0 | 0 | 0 | 111.5 | Q70 D71 F72 E73 R77 D78 R81 F262 I264 K297 A301 | Q70-F75 HydrophobicContact CG-CB 4.09Å; D71-F75 WeakPolarHBondContact O-CB 3.48Å; D71-F75 PolarHBondContact O-N 3.18Å; D71-F75 VanDerWaalsContact O-N 3.13Å; F72-F75 HydrophobicContact CD2-CD1 4.29Å; F72-F75 HydrophobicContact CE2-CD1 4.34Å; F72-F75 PolarHBondContact O-N 2.86Å; E73-F75 VanDerWaalsContact C-N 3.29Å; E73-F75 PolarHBondContact O-N 2.97Å; F75-R77 VanDerWaalsContact C-N 3.28Å; F75-R77 PolarHBondContact O-N 2.94Å; F75-D78 WeakPolarHBondContact O-CB 3.16Å; F75-D78 PolarHBondContact O-N 3.49Å; F75-D78 VanDerWaalsContact O-N 3.14Å; F75-R81 HydrophobicContact CD2-CG 4.4Å; F75-R81 VanDerWaalsContact CE1-CD 3.43Å; F75-R81 HydrophobicContact CE1-CG 4.39Å; F75-R81 HydrophobicContact CE2-CG 3.84Å; F75-R81 HydrophobicContact CZ-CG 3.85Å; F75-R81 WeakPolarHBondContact O-CD 3.37Å; F75-F262 VanDerWaalsContact CE2-O 3.31Å; F75-F262 WeakPolarHBondContact CE2-O 3.32Å; F75-I264 HydrophobicContact CD2-CG1 4.27Å; F75-I264 HydrophobicContact CE2-CG1 3.7Å; F75-I264 HydrophobicContact CZ-CG1 4.29Å; F75-K297 HydrophobicContact CB-CD 3.79Å; F75-K297 HydrophobicContact CB-CG 3.91Å; F75-K297 HydrophobicContact CD1-CB 3.67Å; F75-K297 HydrophobicContact CD1-CD 4.16Å; F75-K297 HydrophobicContact CD1-CG 3.5Å; F75-K297 HydrophobicContact CD2-CB 4.29Å; F75-K297 HydrophobicContact CD2-CD 3.99Å; F75-K297 HydrophobicContact CD2-CG 4.21Å; F75-K297 HydrophobicContact CE1-CB 3.56Å; F75-K297 HydrophobicContact CE1-CG 3.97Å; F75-K297 WeakPolarHBondContact CE1-O 3.48Å; F75-K297 HydrophobicContact CE2-CB 4.21Å; F75-K297 HydrophobicContact CG-CB 4.02Å; F75-K297 HydrophobicContact CG-CD 3.72Å; F75-K297 HydrophobicContact CG-CG 3.61Å; F75-K297 HydrophobicContact CZ-CB 3.84Å; F75-K297 HydrophobicContact CZ-CG 4.5Å; F75-A301 HydrophobicContact CZ-CB 4.31Å |
| 76 | Y | 96.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 73.9 Ų | 73.9 | 33% | 0.333 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | -172.3 | -173.6 | -97.3 | 0 | 0 | 0 | 112.5 | V22 L25 F72 E73 V300 | V22-Y76 HydrophobicContact CG1-CD1 4.37Å; V22-Y76 HydrophobicContact CG1-CG 4.48Å; V22-Y76 HydrophobicContact CG2-CD1 4.19Å; L25-Y76 HydrophobicContact CD1-CD1 4.45Å; L25-Y76 HydrophobicContact CD1-CD2 3.74Å; L25-Y76 HydrophobicContact CD1-CE1 4.1Å; L25-Y76 HydrophobicContact CD1-CE2 3.33Å; L25-Y76 HydrophobicContact CD1-CG 4.29Å; F72-Y76 HydrophobicContact CZ-CD2 4.11Å; F72-Y76 HydrophobicContact CZ-CG 4.44Å; F72-Y76 WeakPolarHBondContact O-CB 3.37Å; F72-Y76 PolarHBondContact O-N 3.18Å; E73-Y76 PolarHBondContact O-N 3.41Å; Y76-V300 HydrophobicContact CD2-CG1 4.01Å; Y76-V300 HydrophobicContact CE2-CG1 3.96Å |
| 77 | R | 94.8 | Very high | 93.1 | Very high | 164 Ų | 164 | 70.1 Ų | 70.1 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.6 | 179.7 | -65.3 | 177.7 | 64.7 | 101.5 | 5.8 | 114.1 | E73 F75 P79 | E73-R77 HydrophobicContact CG-CG 4.44Å; E73-R77 WeakPolarHBondContact O-CB 3.4Å; E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.46Å; E73-R77 PolarHBondContact O-N 2.84Å; F75-R77 VanDerWaalsContact C-N 3.28Å; F75-R77 PolarHBondContact O-N 2.94Å; R77-P79 WeakPolarHBondContact O-CD 3.44Å |
| 78 | D | 92.8 | Very high | 93 | Very high | 33 Ų | 33 | 70.7 Ų | 70.7 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | trans | -66 | 117.2 | -179.5 | -166.2 | -31.4 | 0 | 0 | 0 | 109.4 | A74 F75 Y80 R81 | A74-D78 PolarHBondContact O-N 3.35Å; F75-D78 WeakPolarHBondContact O-CB 3.16Å; F75-D78 PolarHBondContact O-N 3.49Å; F75-D78 VanDerWaalsContact O-N 3.14Å; D78-Y80 PolarHBondContact O-N 3.42Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.47Å; D78-Y80 WeakPolarHBondContact OD1-CD2 3.46Å; D78-Y80 PolarHBondContact OD1-N 2.73Å; D78-R81 HydrophobicContact CB-CB 4.31Å; D78-R81 WeakPolarHBondContact O-CB 3.47Å; D78-R81 PolarHBondContact O-N 3.33Å | ||
| 79 | P | 89.7 | Confident | 93.1 | Very high | 113 Ų | 113 | 64.5 Ų | 64.5 | 73% | 0.734 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.7 | 180 | 29 | -36 | 0 | 0 | 0 | 112.8 | R77 | R77-P79 WeakPolarHBondContact O-CD 3.44Š|
| 80 | Y | 85.9 | Confident | 93.2 | Very high | 185 Ų | 185 | 63.1 Ų | 63.1 | 73% | 0.725 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 0.3 | 175.5 | -55.3 | -74.2 | 0 | 0 | 0 | 112.8 | D78 K82 | D78-Y80 PolarHBondContact O-N 3.42Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.47Å; D78-Y80 WeakPolarHBondContact OD1-CD2 3.46Å; D78-Y80 PolarHBondContact OD1-N 2.73Å; Y80-K82 PolarHBondContact O-N 2.73Å |
| 81 | R | 89.8 | Confident | 93.2 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | trans | -60.2 | 135 | 171.6 | -175.3 | 179.7 | 68.1 | 97.6 | 4 | 109.6 | F75 D78 T83 F262 | F75-R81 HydrophobicContact CD2-CG 4.4Å; F75-R81 VanDerWaalsContact CE1-CD 3.43Å; F75-R81 HydrophobicContact CE1-CG 4.39Å; F75-R81 HydrophobicContact CE2-CG 3.84Å; F75-R81 HydrophobicContact CZ-CG 3.85Å; F75-R81 WeakPolarHBondContact O-CD 3.37Å; D78-R81 HydrophobicContact CB-CB 4.31Å; D78-R81 WeakPolarHBondContact O-CB 3.47Å; D78-R81 PolarHBondContact O-N 3.33Å; R81-T83 PolarHBondContact NH1-OG1 3.17Å; R81-F262 WeakPolarHBondContact CG-O 3.3Å | ||
| 82 | K | 88.7 | Confident | 93.2 | Very high | 52 Ų | 52 | 61.3 Ų | 61.3 | 23% | 0.226 | 32% | 0.32 | C | S | . | . | trans | -110.1 | 139.5 | 174.6 | -64.6 | -177.8 | 172.2 | 179.7 | 0 | 110.6 | Y80 F170 L195 S196 G198 M261 F262 | Y80-K82 PolarHBondContact O-N 2.73Å; K82-F170 HydrophobicContact CB-CE2 4.06Å; K82-F170 HydrophobicContact CB-CZ 4.35Å; K82-L195 VanDerWaalsContact CE-O 3.26Å; K82-L195 WeakPolarHBondContact CE-O 3.4Å; K82-L195 PolarHBondContact NZ-O 3.14Å; K82-S196 WeakPolarHBondContact CE-O 3.2Å; K82-S196 PolarHBondContact NZ-O 3.26Å; K82-G198 VanDerWaalsContact NZ-N 3.15Å; K82-M261 WeakPolarHBondContact CB-O 3.36Å; K82-F262 PolarHBondContact N-O 3.03Å | ||
| 83 | T | 91.6 | Very high | 93.2 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 36% | 0.362 | 32% | 0.32 | S | S | . | . | trans | -126.8 | 129.8 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 106.1 | R81 A301 | R81-T83 PolarHBondContact NH1-OG1 3.17Å; T83-A301 WeakPolarHBondContact CG2-O 3.33Å | ||
| 84 | P | 92.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | trans | -54.7 | 141.7 | 170.7 | -22.7 | 32.8 | 0 | 0 | 0 | 110.6 | H88 L124 F170 F262 A301 | P84-H88 WeakPolarHBondContact CA-O 3.46Å; P84-L124 HydrophobicContact CB-CD2 4.27Å; P84-L124 HydrophobicContact CB-CG 4.39Å; P84-L124 HydrophobicContact CG-CD1 4.12Å; P84-L124 HydrophobicContact CG-CD2 3.74Å; P84-L124 HydrophobicContact CG-CG 4.13Å; P84-F170 HydrophobicContact CB-CD2 4.07Å; P84-F170 HydrophobicContact CB-CE2 4.37Å; P84-F170 HydrophobicContact CG-CD2 3.78Å; P84-F170 HydrophobicContact CG-CE1 4.47Å; P84-F170 HydrophobicContact CG-CE2 3.69Å; P84-F170 HydrophobicContact CG-CG 4.22Å; P84-F170 HydrophobicContact CG-CZ 4.06Å; P84-F262 HydrophobicContact CG-CD1 4.46Å; P84-F262 HydrophobicContact CG-CE1 3.62Å; P84-F262 HydrophobicContact CG-CZ 4.26Å; P84-A301 WeakPolarHBondContact CD-O 3.09Å | ||
| 85 | D | 91.3 | Very high | 93.1 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -129.9 | 175.8 | 174.7 | 67.3 | 44.5 | 0 | 0 | 0 | 110.1 | G87 H88 S89 | D85-G87 PolarHBondContact O-N 2.94Å; D85-G87 VanDerWaalsContact O-N 3.12Å; D85-G87 VanDerWaalsContact OD1-CA 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.49Å; D85-G87 PolarHBondContact OD1-N 2.96Å; D85-H88 PolarHBondContact N-O 3.42Å; D85-H88 CarbonylContact O-C 3.31Å; D85-H88 VanDerWaalsContact O-C 3.31Å; D85-H88 PolarHBondContact O-N 3.3Å; D85-H88 IonicContact OD1-CG 3.74Å; D85-H88 PolarHBondContact OD1-N 3.38Å; D85-H88 IonicContact OD1-ND1 3.02Å; D85-H88 PolarHBondContact OD1-ND1 2.72Å; D85-H88 IonicContact OD2-ND1 3.36Å; D85-H88 PolarHBondContact OD2-ND1 2.76Å; D85-S89 WeakPolarHBondContact O-CB 3.28Å; D85-S89 PolarHBondContact O-N 3.32Å |
| 86 | T | 86 | Confident | 93 | Very high | 154 Ų | 154 | 57.3 Ų | 57.3 | 95% | 0.945 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.6 | -177.1 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 87 | G | 88.3 | Confident | 92.7 | Very high | 37 Ų | 37 | 54 Ų | 54 | 38% | 0.381 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -17.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D85 D168 | D85-G87 PolarHBondContact O-N 2.94Å; D85-G87 VanDerWaalsContact O-N 3.12Å; D85-G87 VanDerWaalsContact OD1-CA 3.3Å; D85-G87 WeakPolarHBondContact OD1-CA 3.49Å; D85-G87 PolarHBondContact OD1-N 2.96Å; G87-D168 WeakPolarHBondContact O-CA 3.25Å; G87-D168 WeakPolarHBondContact O-CB 3.32Å |
| 88 | H | 92 | Very high | 92.2 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 39% | 0.389 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -137.9 | 71.3 | -175.4 | -50.2 | 88.6 | 0 | 0 | 0 | 111.1 | P84 D85 K167 D168 F170 | P84-H88 WeakPolarHBondContact CA-O 3.46Å; D85-H88 PolarHBondContact N-O 3.42Å; D85-H88 CarbonylContact O-C 3.31Å; D85-H88 VanDerWaalsContact O-C 3.31Å; D85-H88 PolarHBondContact O-N 3.3Å; D85-H88 IonicContact OD1-CG 3.74Å; D85-H88 PolarHBondContact OD1-N 3.38Å; D85-H88 IonicContact OD1-ND1 3.02Å; D85-H88 PolarHBondContact OD1-ND1 2.72Å; D85-H88 IonicContact OD2-ND1 3.36Å; D85-H88 PolarHBondContact OD2-ND1 2.76Å; H88-K167 PolarHBondContact CD2-O 2.84Å; H88-K167 VanDerWaalsContact CD2-O 3.23Å; H88-K167 PolarHBondContact NE2-O 3.45Å; H88-D168 WeakPolarHBondContact CA-O 3.44Å; H88-F170 WeakPolarHBondContact O-CB 3.29Å |
| 89 | S | 94.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | trans | -119.1 | 6.9 | -175.8 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | D85 L124 S125 | D85-S89 WeakPolarHBondContact O-CB 3.28Å; D85-S89 PolarHBondContact O-N 3.32Å; S89-L124 WeakPolarHBondContact O-CA 3.16Å; S89-L124 WeakPolarHBondContact O-CB 3.41Å; S89-S125 PolarHBondContact O-N 2.99Å; S89-S125 VanDerWaalsContact O-N 3.12Å | ||
| 90 | T | 97.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.4 | -175.6 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | Y92 S125 E127 A169 F170 | T90-Y92 HydrophobicContact CG2-CD2 3.92Å; T90-Y92 HydrophobicContact CG2-CE1 4.11Å; T90-Y92 HydrophobicContact CG2-CE2 3.41Å; T90-Y92 VanDerWaalsContact CG2-CE2 3.41Å; T90-Y92 HydrophobicContact CG2-CG 4.49Å; T90-Y92 VanDerWaalsContact CG2-CZ 3.49Å; T90-S125 CarbonylContact C-O 3.46Å; T90-S125 WeakPolarHBondContact CA-O 3.49Å; T90-E127 HydrophobicContact CG2-CB 4.23Å; T90-E127 HydrophobicContact CG2-CG 3.85Å; T90-A169 CarbonylContact O-C 3.53Å; T90-A169 WeakPolarHBondContact O-CA 3.3Å; T90-F170 PolarHBondContact O-N 3.15Å |
| 91 | I | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.6 | 167.9 | -61.2 | 165.6 | 0 | 0 | 0 | 107.6 | F121 L124 S125 V126 E127 F170 V173 T258 | I91-F121 HydrophobicContact CD1-CB 3.81Å; I91-F121 HydrophobicContact CD1-CD2 3.98Å; I91-F121 HydrophobicContact CD1-CG 3.94Å; I91-L124 HydrophobicContact CD1-CB 4.31Å; I91-L124 HydrophobicContact CD1-CD2 3.82Å; I91-L124 HydrophobicContact CG1-CD2 3.87Å; I91-S125 PolarHBondContact N-O 3.15Å; I91-V126 HydrophobicContact CB-CG1 4.32Å; I91-V126 HydrophobicContact CB-CG2 4.19Å; I91-V126 HydrophobicContact CD1-CG2 4.32Å; I91-V126 HydrophobicContact CG2-CG1 4.32Å; I91-V126 VanDerWaalsContact O-CA 3.3Å; I91-V126 WeakPolarHBondContact O-CA 3.32Å; I91-E127 PolarHBondContact O-N 3.39Å; I91-F170 HydrophobicContact CG1-CD1 4.3Å; I91-V173 HydrophobicContact CG2-CG2 4.45Å; I91-T258 HydrophobicContact CD1-CG2 3.91Å |
| 92 | Y | 98.3 | Very high | 88.1 | Confident | 12 Ų | 12 | 45 Ų | 45 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.4 | 175.8 | -73.5 | -85.9 | 0 | 0 | 0 | 111.2 | T90 E127 L129 P166 D168 A169 C171 I172 V173 | T90-Y92 HydrophobicContact CG2-CD2 3.92Å; T90-Y92 HydrophobicContact CG2-CE1 4.11Å; T90-Y92 HydrophobicContact CG2-CE2 3.41Å; T90-Y92 VanDerWaalsContact CG2-CE2 3.41Å; T90-Y92 HydrophobicContact CG2-CG 4.49Å; T90-Y92 VanDerWaalsContact CG2-CZ 3.49Å; Y92-E127 CarbonylContact C-O 3.52Å; Y92-E127 WeakPolarHBondContact CA-O 3.43Å; Y92-E127 HydrophobicContact CD1-CB 3.83Å; Y92-E127 HydrophobicContact CE1-CB 3.7Å; Y92-E127 HydrophobicContact CE1-CG 4.34Å; Y92-E127 WeakPolarHBondContact CE1-OE2 3.48Å; Y92-E127 PolarHBondContact OH-OE2 3.16Å; Y92-L129 HydrophobicContact CD1-CD1 4.42Å; Y92-L129 HydrophobicContact CD1-CD2 3.67Å; Y92-L129 HydrophobicContact CD1-CG 3.92Å; Y92-L129 HydrophobicContact CE1-CD2 4.16Å; Y92-P166 HydrophobicContact CD1-CG 3.84Å; Y92-P166 HydrophobicContact CD2-CB 4.13Å; Y92-P166 HydrophobicContact CD2-CG 3.74Å; Y92-P166 HydrophobicContact CE1-CB 4.33Å; Y92-P166 HydrophobicContact CE1-CG 3.73Å; Y92-P166 HydrophobicContact CE2-CB 3.58Å; Y92-P166 HydrophobicContact CE2-CG 3.61Å; Y92-P166 HydrophobicContact CG-CG 3.83Å; Y92-D168 PolarHBondContact OH-OD1 2.87Å; Y92-D168 PolarHBondContact OH-OD2 3Å; Y92-A169 HydrophobicContact CD2-CB 3.45Å; Y92-A169 VanDerWaalsContact CD2-CB 3.45Å; Y92-A169 HydrophobicContact CE2-CB 3.74Å; Y92-C171 PolarHBondContact N-O 2.64Å; Y92-I172 CarbonylContact O-C 3.52Å; Y92-I172 WeakPolarHBondContact O-CA 3.27Å; Y92-V173 PolarHBondContact O-N 3.32Å |
| 93 | I | 97.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.5 | 173.3 | -56.1 | 177.4 | 0 | 0 | 0 | 108.7 | R114 V126 E127 L128 L129 V173 I175 I254 | I93-R114 HydrophobicContact CD1-CB 4.33Å; I93-V126 HydrophobicContact CD1-CG1 3.71Å; I93-V126 HydrophobicContact CG1-CG1 4.01Å; I93-E127 PolarHBondContact N-O 3.41Å; I93-L128 HydrophobicContact CB-CD2 3.73Å; I93-L128 HydrophobicContact CD1-CD2 4.13Å; I93-L128 HydrophobicContact CG1-CD2 4.4Å; I93-L128 HydrophobicContact CG2-CD2 4.06Å; I93-L129 PolarHBondContact O-N 3.47Å; I93-V173 CarbonylContact C-O 3.57Å; I93-V173 WeakPolarHBondContact CA-O 3.37Å; I93-V173 HydrophobicContact CB-CG2 4.36Å; I93-V173 HydrophobicContact CG1-CG2 3.81Å; I93-I175 HydrophobicContact CG2-CD1 3.65Å; I93-I175 HydrophobicContact CG2-CG1 3.8Å; I93-I175 HydrophobicContact CG2-CG2 4.33Å; I93-I254 HydrophobicContact CD1-CD1 3.79Å; I93-I254 HydrophobicContact CG1-CD1 4.44Å |
| 94 | Q | 96.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.4 | 174.6 | 177.4 | 64.2 | 81.7 | 0 | 0 | 109.9 | I96 L129 P130 V132 F160 L161 I172 V173 G174 I175 | Q94-I96 HydrophobicContact CG-CD1 4.49Å; Q94-I96 HydrophobicContact CG-CG1 4.03Å; Q94-L129 HydrophobicContact CB-CD1 4.31Å; Q94-P130 PolarHBondContact NE2-O 3.36Å; Q94-V132 HydrophobicContact CG-CG2 4.37Å; Q94-F160 HydrophobicContact CG-CE1 4.32Å; Q94-L161 HydrophobicContact CB-CD2 3.66Å; Q94-L161 HydrophobicContact CG-CD2 3.72Å; Q94-I172 HydrophobicContact CB-CD1 4.41Å; Q94-V173 PolarHBondContact N-O 3.49Å; Q94-G174 CarbonylContact O-C 3.55Å; Q94-G174 VanDerWaalsContact O-CA 3.29Å; Q94-G174 WeakPolarHBondContact O-CA 3.22Å; Q94-I175 PolarHBondContact O-N 3.22Å |
| 95 | T | 95.3 | Very high | 84.2 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.4 | 171.7 | -52.9 | 0 | 0 | 0 | 0 | 110 | F99 V110 A131 V132 | T95-F99 HydrophobicContact CG2-CD2 3.51Å; T95-F99 HydrophobicContact CG2-CE2 3.4Å; T95-F99 HydrophobicContact CG2-CG 4.44Å; T95-F99 HydrophobicContact CG2-CZ 4.24Å; T95-V110 HydrophobicContact CG2-CG2 4.47Å; T95-A131 HydrophobicContact CG2-CB 4.2Å; T95-V132 WeakPolarHBondContact O-CG2 3.42Å; T95-V132 PolarHBondContact O-N 2.95Å |
| 96 | I | 94.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.8 | -179.9 | -55.9 | 175.2 | 0 | 0 | 0 | 109.9 | Q94 V132 T137 L157 I175 T176 | Q94-I96 HydrophobicContact CG-CD1 4.49Å; Q94-I96 HydrophobicContact CG-CG1 4.03Å; I96-V132 HydrophobicContact CB-CG2 4.44Å; I96-V132 HydrophobicContact CG1-CG2 3.99Å; I96-T137 HydrophobicContact CG2-CG2 3.69Å; I96-L157 HydrophobicContact CD1-CD2 4.21Å; I96-L157 HydrophobicContact CG2-CD2 4.48Å; I96-I175 PolarHBondContact N-O 2.81Å; I96-T176 VanDerWaalsContact O-CB 3.31Å; I96-T176 WeakPolarHBondContact O-CB 3.35Å; I96-T176 PolarHBondContact O-OG1 3.25Å |
| 97 | G | 90.8 | Very high | 82.9 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 80.2 | -169.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V132 Y237 | G97-V132 PolarHBondContact N-O 2.89Å; G97-Y237 WeakPolarHBondContact CA-OH 3.35Å |
| 98 | S | 84.7 | Confident | 82.9 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -86.5 | 152.7 | 174 | -155 | 0 | 0 | 0 | 0 | 113 | G100 Y237 T239 | S98-G100 PolarHBondContact OG-O 3.09Å; S98-Y237 WeakPolarHBondContact CA-OH 3.48Å; S98-Y237 PolarHBondContact N-OH 2.79Å; S98-Y237 PolarHBondContact O-OH 3.38Å; S98-T239 WeakPolarHBondContact O-CG2 3.49Å | ||
| 99 | F | 82.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -122.8 | 28 | 178 | -86.4 | -116.2 | 0 | 0 | 0 | 111.3 | T95 T106 Y109 V110 I175 T176 M177 F204 | T95-F99 HydrophobicContact CG2-CD2 3.51Å; T95-F99 HydrophobicContact CG2-CE2 3.4Å; T95-F99 HydrophobicContact CG2-CG 4.44Å; T95-F99 HydrophobicContact CG2-CZ 4.24Å; F99-T106 VanDerWaalsContact C-OG1 3.23Å; F99-T106 HydrophobicContact CB-CG2 3.29Å; F99-T106 PolarHBondContact O-OG1 3.36Å; F99-Y109 AromaticContact CD1-CD1 3.88Å; F99-Y109 HydrophobicContact CD1-CD1 3.88Å; F99-Y109 AromaticContact CD1-CE1 3.68Å; F99-Y109 HydrophobicContact CD1-CE1 3.68Å; F99-Y109 HydrophobicContact CE1-CD1 4.47Å; F99-Y109 AromaticContact CE1-CE1 3.94Å; F99-Y109 HydrophobicContact CE1-CE1 3.94Å; F99-V110 HydrophobicContact CD1-CG2 4.27Å; F99-V110 HydrophobicContact CG-CG2 4.46Å; F99-I175 HydrophobicContact CE1-CD1 4.01Å; F99-I175 HydrophobicContact CE1-CG1 4.32Å; F99-I175 HydrophobicContact CE2-CG1 4.38Å; F99-I175 HydrophobicContact CZ-CB 3.9Å; F99-I175 HydrophobicContact CZ-CD1 3.81Å; F99-I175 HydrophobicContact CZ-CG1 3.64Å; F99-T176 VanDerWaalsContact CZ-CA 3.47Å; F99-M177 HydrophobicContact CB-CG 4.21Å; F99-M177 HydrophobicContact CD1-CE 3.47Å; F99-M177 VanDerWaalsContact CD1-CE 3.47Å; F99-M177 HydrophobicContact CD1-CG 3.56Å; F99-M177 HydrophobicContact CD1-SD 4.29Å; F99-M177 HydrophobicContact CD2-CG 4.15Å; F99-M177 HydrophobicContact CE1-CE 3.86Å; F99-M177 HydrophobicContact CE1-CG 3.93Å; F99-M177 HydrophobicContact CE1-SD 4.48Å; F99-M177 HydrophobicContact CE2-CG 4.46Å; F99-M177 HydrophobicContact CG-CE 4.37Å; F99-M177 HydrophobicContact CG-CG 3.67Å; F99-M177 HydrophobicContact CZ-CG 4.35Å; F99-F204 AromaticContact CE1-CD2 3.7Å; F99-F204 HydrophobicContact CE1-CD2 3.7Å; F99-F204 AromaticContact CE1-CE2 3.83Å; F99-F204 HydrophobicContact CE1-CE2 3.83Å; F99-F204 HydrophobicContact CZ-CD2 4.36Å; F99-F204 HydrophobicContact CZ-CE2 4.37Å |
| 100 | G | 72.2 | Confident | 82.7 | Confident | 16 Ų | 16 | 41 Ų | 41 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 152.6 | -174.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S98 T106 T239 | S98-G100 PolarHBondContact OG-O 3.09Å; G100-T106 VanDerWaalsContact CA-OG1 3.29Å; G100-T106 WeakPolarHBondContact CA-OG1 3.29Å; G100-T106 PolarHBondContact N-OG1 2.82Å; G100-T239 WeakPolarHBondContact CA-OG1 3.31Å; G100-T239 PolarHBondContact N-OG1 3.37Å |
| 101 | D | 61.7 | Low | 82.5 | Confident | 157 Ų | 157 | 42.8 Ų | 42.8 | 84% | 0.84 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -64.9 | 140.5 | 156 | -70.5 | -39.5 | 0 | 0 | 0 | 108.6 | G103 | D101-G103 PolarHBondContact O-N 3.11Š|
| 102 | V | 55 | Low | 82.3 | Confident | 146 Ų | 146 | 43.4 Ų | 43.4 | 89% | 0.885 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -56 | 117.1 | 180 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 103 | G | 59.4 | Low | 82.2 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 165 | 178.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | D101 Q105 T106 | D101-G103 PolarHBondContact O-N 3.11Å; G103-Q105 VanDerWaalsContact C-N 3.27Å; G103-Q105 PolarHBondContact O-N 3.49Å; G103-Q105 VanDerWaalsContact O-N 3.11Å; G103-T106 PolarHBondContact O-N 3.2Å |
| 104 | L | 63 | Low | 82.2 | Confident | 118 Ų | 118 | 46.4 Ų | 46.4 | 62% | 0.618 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -55 | -32.8 | -169.9 | -66.6 | 167.1 | 0 | 0 | 0 | 114.6 | T106 R108 F339 | L104-T106 PolarHBondContact O-N 3.4Å; L104-R108 VanDerWaalsContact O-CG 3.25Å; L104-R108 WeakPolarHBondContact O-CG 3.32Å; L104-R108 PolarHBondContact O-N 2.95Å; L104-R108 VanDerWaalsContact O-N 3.16Å; L104-F339 HydrophobicContact CB-CE2 4.34Å |
| 105 | Q | 67.1 | Low | 82.2 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -178.2 | -71.4 | -172.8 | 17.5 | 0 | 0 | 113.4 | G103 R108 Y109 I242 F339 | G103-Q105 VanDerWaalsContact C-N 3.27Å; G103-Q105 PolarHBondContact O-N 3.49Å; G103-Q105 VanDerWaalsContact O-N 3.11Å; Q105-R108 PolarHBondContact O-N 2.98Å; Q105-Y109 PolarHBondContact O-N 3.49Å; Q105-I242 HydrophobicContact CB-CD1 4.32Å; Q105-F339 HydrophobicContact CB-CD2 4.45Å; Q105-F339 HydrophobicContact CB-CE2 4.43Å; Q105-F339 HydrophobicContact CG-CD1 3.53Å; Q105-F339 HydrophobicContact CG-CD2 3.51Å; Q105-F339 HydrophobicContact CG-CE1 3.35Å; Q105-F339 HydrophobicContact CG-CE2 3.27Å; Q105-F339 HydrophobicContact CG-CG 3.64Å; Q105-F339 HydrophobicContact CG-CZ 3.18Å |
| 106 | T | 71.6 | Confident | 82.4 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.3 | -42.3 | -176 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | F99 G100 G103 L104 R108 Y109 V110 | F99-T106 VanDerWaalsContact C-OG1 3.23Å; F99-T106 HydrophobicContact CB-CG2 3.29Å; F99-T106 PolarHBondContact O-OG1 3.36Å; G100-T106 VanDerWaalsContact CA-OG1 3.29Å; G100-T106 WeakPolarHBondContact CA-OG1 3.29Å; G100-T106 PolarHBondContact N-OG1 2.82Å; G103-T106 PolarHBondContact O-N 3.2Å; L104-T106 PolarHBondContact O-N 3.4Å; T106-R108 VanDerWaalsContact C-N 3.31Å; T106-R108 PolarHBondContact O-N 2.94Å; T106-Y109 PolarHBondContact O-N 2.79Å; T106-V110 PolarHBondContact O-N 3.25Å |
| 107 | D | 80.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 176.7 | -63.9 | -23.1 | 0 | 0 | 0 | 110.2 | Y109 V110 E111 | D107-Y109 PolarHBondContact O-N 2.94Å; D107-V110 PolarHBondContact O-N 3.26Å; D107-E111 WeakPolarHBondContact O-CG 3.28Å; D107-E111 PolarHBondContact O-N 3.21Å |
| 108 | R | 87.5 | Confident | 82.9 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 173.9 | -72.1 | -58.2 | 92 | 159.9 | 7 | 113.2 | L104 Q105 T106 V110 E111 W112 E321 | L104-R108 VanDerWaalsContact O-CG 3.25Å; L104-R108 WeakPolarHBondContact O-CG 3.32Å; L104-R108 PolarHBondContact O-N 2.95Å; L104-R108 VanDerWaalsContact O-N 3.16Å; Q105-R108 PolarHBondContact O-N 2.98Å; T106-R108 VanDerWaalsContact C-N 3.31Å; T106-R108 PolarHBondContact O-N 2.94Å; R108-V110 PolarHBondContact O-N 3.23Å; R108-E111 VanDerWaalsContact CZ-CD 3.46Å; R108-E111 IonicContact CZ-OE1 3.18Å; R108-E111 IonicContact CZ-OE2 2.68Å; R108-E111 IonicContact NE-OE1 2.65Å; R108-E111 IonicContact NE-OE2 3.43Å; R108-E111 PolarHBondContact NE-OE2 3.12Å; R108-E111 IonicContact NH1-OE2 3.41Å; R108-E111 PolarHBondContact NH1-OE2 3.28Å; R108-E111 IonicContact NH2-OE1 3.31Å; R108-E111 PolarHBondContact NH2-OE1 2.93Å; R108-E111 IonicContact NH2-OE2 3.37Å; R108-E111 PolarHBondContact NH2-OE2 3.26Å; R108-E111 PolarHBondContact O-N 3.33Å; R108-W112 HydrophobicContact CB-CH2 4.27Å; R108-W112 HydrophobicContact CB-CZ2 3.93Å; R108-W112 PolarHBondContact O-N 3.38Å; R108-E321 IonicContact NH1-OE1 3.44Å |
| 109 | Y | 89.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | -179.5 | 171.7 | -97.4 | 0 | 0 | 0 | 112.8 | F99 Q105 T106 D107 E111 W112 L113 M177 F204 I242 L247 S250 | F99-Y109 AromaticContact CD1-CD1 3.88Å; F99-Y109 HydrophobicContact CD1-CD1 3.88Å; F99-Y109 AromaticContact CD1-CE1 3.68Å; F99-Y109 HydrophobicContact CD1-CE1 3.68Å; F99-Y109 HydrophobicContact CE1-CD1 4.47Å; F99-Y109 AromaticContact CE1-CE1 3.94Å; F99-Y109 HydrophobicContact CE1-CE1 3.94Å; Q105-Y109 PolarHBondContact O-N 3.49Å; T106-Y109 PolarHBondContact O-N 2.79Å; D107-Y109 PolarHBondContact O-N 2.94Å; Y109-E111 VanDerWaalsContact C-N 3.33Å; Y109-W112 HydrophobicContact CD2-CE3 4.46Å; Y109-W112 PolarHBondContact O-N 3.39Å; Y109-L113 HydrophobicContact CD1-CD1 4.2Å; Y109-L113 HydrophobicContact CE1-CD1 3.57Å; Y109-L113 HydrophobicContact CE1-CG 4.38Å; Y109-L113 WeakPolarHBondContact O-CG 3.46Å; Y109-L113 PolarHBondContact O-N 2.87Å; Y109-L113 VanDerWaalsContact O-N 3.12Å; Y109-M177 HydrophobicContact CD1-CE 4.37Å; Y109-M177 HydrophobicContact CE1-CE 3.57Å; Y109-F204 HydrophobicContact CE1-CD2 4.33Å; Y109-F204 HydrophobicContact CE1-CE2 4.43Å; Y109-F204 WeakPolarHBondContact OH-CD2 3.41Å; Y109-I242 HydrophobicContact CD2-CD1 4.49Å; Y109-I242 HydrophobicContact CD2-CG1 4.12Å; Y109-I242 HydrophobicContact CD2-CG2 3.68Å; Y109-I242 HydrophobicContact CE2-CG2 4.34Å; Y109-I242 HydrophobicContact CG-CD1 4.16Å; Y109-I242 HydrophobicContact CG-CG1 4.19Å; Y109-I242 HydrophobicContact CG-CG2 4.41Å; Y109-L247 HydrophobicContact CD2-CD1 4.1Å; Y109-L247 HydrophobicContact CE2-CB 4.41Å; Y109-L247 HydrophobicContact CE2-CD1 3.82Å; Y109-S250 WeakPolarHBondContact OH-CB 3.46Å; Y109-S250 PolarHBondContact OH-OG 3.39Å |
| 110 | V | 92.1 | Very high | 84.3 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -36.3 | 177.1 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | T95 F99 T106 D107 R108 L113 R114 L128 I175 | T95-V110 HydrophobicContact CG2-CG2 4.47Å; F99-V110 HydrophobicContact CD1-CG2 4.27Å; F99-V110 HydrophobicContact CG-CG2 4.46Å; T106-V110 PolarHBondContact O-N 3.25Å; D107-V110 PolarHBondContact O-N 3.26Å; R108-V110 PolarHBondContact O-N 3.23Å; V110-L113 PolarHBondContact O-N 3.44Å; V110-R114 PolarHBondContact O-N 3.02Å; V110-L128 HydrophobicContact CG1-CD1 3.82Å; V110-L128 HydrophobicContact CG1-CD2 3.66Å; V110-L128 HydrophobicContact CG1-CG 4.37Å; V110-I175 HydrophobicContact CG1-CD1 4.22Å; V110-I175 HydrophobicContact CG2-CD1 4.42Å |
| 111 | E | 93.6 | Very high | 85.5 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 173.1 | -74.2 | 176.5 | -146.3 | 0 | 0 | 112.7 | D107 R108 Y109 L113 R114 D115 L128 | D107-E111 WeakPolarHBondContact O-CG 3.28Å; D107-E111 PolarHBondContact O-N 3.21Å; R108-E111 VanDerWaalsContact CZ-CD 3.46Å; R108-E111 IonicContact CZ-OE1 3.18Å; R108-E111 IonicContact CZ-OE2 2.68Å; R108-E111 IonicContact NE-OE1 2.65Å; R108-E111 IonicContact NE-OE2 3.43Å; R108-E111 PolarHBondContact NE-OE2 3.12Å; R108-E111 IonicContact NH1-OE2 3.41Å; R108-E111 PolarHBondContact NH1-OE2 3.28Å; R108-E111 IonicContact NH2-OE1 3.31Å; R108-E111 PolarHBondContact NH2-OE1 2.93Å; R108-E111 IonicContact NH2-OE2 3.37Å; R108-E111 PolarHBondContact NH2-OE2 3.26Å; R108-E111 PolarHBondContact O-N 3.33Å; Y109-E111 VanDerWaalsContact C-N 3.33Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.05Å; E111-R114 WeakPolarHBondContact O-CB 3.36Å; E111-R114 PolarHBondContact O-N 3.08Å; E111-R114 VanDerWaalsContact O-N 3.09Å; E111-D115 VanDerWaalsContact O-CG 3.28Å; E111-D115 PolarHBondContact O-N 2.93Å; E111-L128 HydrophobicContact CG-CD1 4.12Å |
| 112 | W | 95.3 | Very high | 87.1 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 174.2 | -63.8 | -25.7 | 0 | 0 | 0 | 111.7 | R108 Y109 D115 Y116 I242 L247 W316 F339 K341 P342 | R108-W112 HydrophobicContact CB-CH2 4.27Å; R108-W112 HydrophobicContact CB-CZ2 3.93Å; R108-W112 PolarHBondContact O-N 3.38Å; Y109-W112 HydrophobicContact CD2-CE3 4.46Å; Y109-W112 PolarHBondContact O-N 3.39Å; W112-D115 PolarHBondContact O-N 3.36Å; W112-Y116 VanDerWaalsContact O-CB 3.3Å; W112-Y116 WeakPolarHBondContact O-CB 3.28Å; W112-Y116 PolarHBondContact O-N 2.98Å; W112-I242 HydrophobicContact CZ3-CG2 4.13Å; W112-L247 HydrophobicContact CB-CD1 4.43Å; W112-L247 HydrophobicContact CE3-CD2 4.25Å; W112-W316 HydrophobicContact CB-CZ2 4.11Å; W112-W316 WeakPolarHBondContact O-CZ2 3.35Å; W112-W316 PolarHBondContact O-NE1 2.84Å; W112-F339 HydrophobicContact CH2-CB 4.47Å; W112-K341 HydrophobicContact CB-CD 4.37Å; W112-K341 HydrophobicContact CD2-CB 4.02Å; W112-K341 HydrophobicContact CD2-CD 4.24Å; W112-K341 HydrophobicContact CD2-CG 3.74Å; W112-K341 HydrophobicContact CE3-CB 4.49Å; W112-K341 HydrophobicContact CE3-CG 4.15Å; W112-K341 HydrophobicContact CG-CD 3.89Å; W112-K341 HydrophobicContact CG-CG 3.94Å; W112-K341 HydrophobicContact CH2-CB 4.32Å; W112-K341 VanDerWaalsContact CZ2-CA 3.49Å; W112-K341 HydrophobicContact CZ2-CB 3.81Å; W112-K341 HydrophobicContact CZ2-CG 4.45Å; W112-P342 VanDerWaalsContact CZ3-CD 3.48Å; W112-P342 HydrophobicContact CZ3-CG 4.49Å |
| 113 | L | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 174.1 | -69.6 | 176.4 | 0 | 0 | 0 | 112.3 | Y109 V110 E111 C117 I175 F204 L247 | Y109-L113 HydrophobicContact CD1-CD1 4.2Å; Y109-L113 HydrophobicContact CE1-CD1 3.57Å; Y109-L113 HydrophobicContact CE1-CG 4.38Å; Y109-L113 WeakPolarHBondContact O-CG 3.46Å; Y109-L113 PolarHBondContact O-N 2.87Å; Y109-L113 VanDerWaalsContact O-N 3.12Å; V110-L113 PolarHBondContact O-N 3.44Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 3.05Å; L113-C117 WeakPolarHBondContact O-CB 3.23Å; L113-C117 PolarHBondContact O-N 2.55Å; L113-I175 HydrophobicContact CD1-CD1 4.21Å; L113-F204 HydrophobicContact CD1-CE2 3.66Å; L113-F204 HydrophobicContact CD1-CZ 3.97Å; L113-L247 HydrophobicContact CD2-CD1 3.98Å; L113-L247 HydrophobicContact CG-CD1 4.45Å |
| 114 | R | 97.3 | Very high | 90.7 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.5 | -51 | 174.6 | -177.1 | -83.4 | -62.5 | -105.3 | 0.4 | 110.9 | I93 V110 E111 Y116 C117 Q118 V126 L128 | I93-R114 HydrophobicContact CD1-CB 4.33Å; V110-R114 PolarHBondContact O-N 3.02Å; E111-R114 WeakPolarHBondContact O-CB 3.36Å; E111-R114 PolarHBondContact O-N 3.08Å; E111-R114 VanDerWaalsContact O-N 3.09Å; R114-Y116 PolarHBondContact O-N 3.31Å; R114-C117 WeakPolarHBondContact O-CB 3.33Å; R114-C117 PolarHBondContact O-N 2.76Å; R114-Q118 PolarHBondContact O-N 2.84Å; R114-V126 WeakPolarHBondContact CD-O 3.05Å; R114-V126 HydrophobicContact CG-CB 4.12Å; R114-V126 HydrophobicContact CG-CG1 3.87Å; R114-L128 HydrophobicContact CB-CD1 4.43Å; R114-L128 HydrophobicContact CB-CD2 3.83Å; R114-L128 HydrophobicContact CB-CG 4.13Å; R114-L128 HydrophobicContact CG-CD2 4.08Å; R114-L128 HydrophobicContact CG-CG 4.07Å |
| 115 | D | 97.6 | Very high | 92.3 | Very high | 57 Ų | 57 | 36 Ų | 36 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65 | -41.1 | -177 | -64.4 | -17.1 | 0 | 0 | 0 | 111.2 | E111 W112 Q118 A119 | E111-D115 VanDerWaalsContact O-CG 3.28Å; E111-D115 PolarHBondContact O-N 2.93Å; W112-D115 PolarHBondContact O-N 3.36Å; D115-Q118 PolarHBondContact O-N 3.25Å; D115-A119 WeakPolarHBondContact O-CB 3.28Å; D115-A119 PolarHBondContact O-N 3.26Å |
| 116 | Y | 98.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 173.3 | 172.2 | -98.5 | 0 | 0 | 0 | 111.5 | W112 R114 Q118 A119 F120 C251 I254 T255 L288 L313 W316 | W112-Y116 VanDerWaalsContact O-CB 3.3Å; W112-Y116 WeakPolarHBondContact O-CB 3.28Å; W112-Y116 PolarHBondContact O-N 2.98Å; R114-Y116 PolarHBondContact O-N 3.31Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.48Å; Y116-A119 PolarHBondContact O-N 3.23Å; Y116-F120 HydrophobicContact CE1-CB 4.45Å; Y116-F120 HydrophobicContact CE1-CD2 4.38Å; Y116-F120 HydrophobicContact CE2-CD2 4.37Å; Y116-F120 AromaticContact CZ-CD2 3.77Å; Y116-F120 WeakPolarHBondContact O-CB 3.13Å; Y116-F120 PolarHBondContact O-N 2.87Å; Y116-F120 VanDerWaalsContact OH-CD2 3.25Å; Y116-F120 WeakPolarHBondContact OH-CD2 3.37Å; Y116-C251 HydrophobicContact CD1-CB 3.72Å; Y116-C251 VanDerWaalsContact CD1-SG 3.56Å; Y116-C251 HydrophobicContact CD2-CB 4.25Å; Y116-C251 HydrophobicContact CE1-CB 3.44Å; Y116-C251 VanDerWaalsContact CE1-CB 3.44Å; Y116-C251 WeakPolarHBondContact CE1-O 3.14Å; Y116-C251 HydrophobicContact CE2-CB 4.01Å; Y116-C251 HydrophobicContact CG-CB 4.12Å; Y116-C251 VanDerWaalsContact CG-SG 3.53Å; Y116-I254 HydrophobicContact CD1-CG2 4.04Å; Y116-I254 HydrophobicContact CE1-CG2 4.06Å; Y116-T255 VanDerWaalsContact CE1-OG1 3.24Å; Y116-T255 WeakPolarHBondContact CE1-OG1 3.21Å; Y116-T255 PolarHBondContact OH-OG1 3.08Å; Y116-L288 HydrophobicContact CE2-CD2 4.16Å; Y116-L288 HydrophobicContact CE2-CG 4.5Å; Y116-L288 VanDerWaalsContact OH-CD1 3.22Å; Y116-L288 WeakPolarHBondContact OH-CD1 3.48Å; Y116-L288 WeakPolarHBondContact OH-CG 3.37Å; Y116-L313 HydrophobicContact CD2-CD2 4.08Å; Y116-L313 HydrophobicContact CE2-CD2 3.76Å; Y116-W316 HydrophobicContact CD2-CD2 4.12Å; Y116-W316 AromaticContact CD2-CE3 3.81Å; Y116-W316 HydrophobicContact CD2-CE3 3.81Å; Y116-W316 HydrophobicContact CD2-CH2 4.15Å; Y116-W316 HydrophobicContact CD2-CZ2 4.43Å; Y116-W316 AromaticContact CD2-CZ3 3.85Å; Y116-W316 HydrophobicContact CD2-CZ3 3.85Å; Y116-W316 HydrophobicContact CG-CH2 4.41Å; Y116-W316 HydrophobicContact CG-CZ2 4.36Å |
| 117 | C | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 179.8 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | L113 R114 F120 F121 V126 I254 | L113-C117 WeakPolarHBondContact O-CB 3.23Å; L113-C117 PolarHBondContact O-N 2.55Å; R114-C117 WeakPolarHBondContact O-CB 3.33Å; R114-C117 PolarHBondContact O-N 2.76Å; C117-F120 PolarHBondContact O-N 2.79Å; C117-F121 VanDerWaalsContact O-CD2 3.32Å; C117-F121 WeakPolarHBondContact O-CD2 3.17Å; C117-F121 PolarHBondContact O-N 3.19Å; C117-V126 HydrophobicContact CB-CG1 4.2Å; C117-V126 HydrophobicContact CB-CG2 4.33Å; C117-I254 HydrophobicContact CB-CD1 4.1Å |
| 118 | Q | 98.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 176.8 | -170.8 | 165.9 | -90.7 | 0 | 0 | 112.6 | R114 D115 Y116 F120 F121 C122 V126 | R114-Q118 PolarHBondContact O-N 2.84Å; D115-Q118 PolarHBondContact O-N 3.25Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.48Å; Q118-F120 VanDerWaalsContact C-N 3.32Å; Q118-F120 PolarHBondContact O-N 3.39Å; Q118-F121 CarbonylContact O-C 3.57Å; Q118-C122 PolarHBondContact O-N 3.4Å; Q118-V126 VanDerWaalsContact CA-CG2 3.48Å; Q118-V126 HydrophobicContact CB-CB 4.08Å; Q118-V126 HydrophobicContact CB-CG2 3.62Å; Q118-V126 HydrophobicContact CG-CG2 4.18Å |
| 119 | A | 98.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D115 Y116 A312 L313 W316 | D115-A119 WeakPolarHBondContact O-CB 3.28Å; D115-A119 PolarHBondContact O-N 3.26Å; Y116-A119 PolarHBondContact O-N 3.23Å; A119-A312 HydrophobicContact CB-CB 3.97Å; A119-L313 HydrophobicContact CB-CD2 3.99Å; A119-L313 HydrophobicContact CB-CG 4.37Å; A119-W316 HydrophobicContact CB-CB 4.49Å |
| 120 | F | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.7 | -46.8 | -179.2 | -162.5 | -78 | 0 | 0 | 0 | 112.5 | Y116 C117 Q118 C122 T255 V273 L290 L298 R309 L313 | Y116-F120 HydrophobicContact CE1-CB 4.45Å; Y116-F120 HydrophobicContact CE1-CD2 4.38Å; Y116-F120 HydrophobicContact CE2-CD2 4.37Å; Y116-F120 AromaticContact CZ-CD2 3.77Å; Y116-F120 WeakPolarHBondContact O-CB 3.13Å; Y116-F120 PolarHBondContact O-N 2.87Å; Y116-F120 VanDerWaalsContact OH-CD2 3.25Å; Y116-F120 WeakPolarHBondContact OH-CD2 3.37Å; C117-F120 PolarHBondContact O-N 2.79Å; Q118-F120 VanDerWaalsContact C-N 3.32Å; Q118-F120 PolarHBondContact O-N 3.39Å; F120-C122 PolarHBondContact O-N 3.12Å; F120-T255 HydrophobicContact CD1-CG2 4.1Å; F120-T255 HydrophobicContact CD2-CG2 4.19Å; F120-T255 WeakPolarHBondContact CD2-OG1 3.4Å; F120-T255 HydrophobicContact CE1-CG2 3.44Å; F120-T255 VanDerWaalsContact CE1-CG2 3.44Å; F120-T255 HydrophobicContact CE2-CG2 3.51Å; F120-T255 HydrophobicContact CG-CG2 4.45Å; F120-T255 HydrophobicContact CZ-CG2 3.09Å; F120-V273 HydrophobicContact CZ-CG1 4.36Å; F120-L290 HydrophobicContact CE1-CD1 4.12Å; F120-L290 HydrophobicContact CE1-CG 4.33Å; F120-L290 HydrophobicContact CZ-CD1 4.24Å; F120-L290 HydrophobicContact CZ-CG 3.99Å; F120-L298 HydrophobicContact CD1-CD2 4.46Å; F120-L298 HydrophobicContact CE1-CD2 4.1Å; F120-R309 VanDerWaalsContact O-CD 3.28Å; F120-R309 WeakPolarHBondContact O-CD 3.49Å; F120-R309 PolarHBondContact O-NE 3.48Å; F120-L313 HydrophobicContact CB-CD2 4.02Å; F120-L313 HydrophobicContact CD2-CD1 4.14Å; F120-L313 HydrophobicContact CD2-CD2 4Å; F120-L313 HydrophobicContact CG-CD2 4.47Å |
| 121 | F | 97.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 55.7 | 177.2 | -61.8 | -73.3 | 0 | 0 | 0 | 110.1 | I91 C117 Q118 G123 L124 T258 F262 L298 | I91-F121 HydrophobicContact CD1-CB 3.81Å; I91-F121 HydrophobicContact CD1-CD2 3.98Å; I91-F121 HydrophobicContact CD1-CG 3.94Å; C117-F121 VanDerWaalsContact O-CD2 3.32Å; C117-F121 WeakPolarHBondContact O-CD2 3.17Å; C117-F121 PolarHBondContact O-N 3.19Å; Q118-F121 CarbonylContact O-C 3.57Å; F121-G123 PolarHBondContact O-N 3.46Å; F121-L124 HydrophobicContact CB-CD1 4.31Å; F121-L124 WeakPolarHBondContact O-CB 3.28Å; F121-L124 WeakPolarHBondContact O-CD1 3.43Å; F121-L124 PolarHBondContact O-N 2.83Å; F121-L124 VanDerWaalsContact O-N 3.09Å; F121-T258 HydrophobicContact CD1-CG2 4.39Å; F121-T258 HydrophobicContact CD2-CG2 3.9Å; F121-T258 HydrophobicContact CE1-CG2 4Å; F121-T258 VanDerWaalsContact CE2-CB 3.49Å; F121-T258 HydrophobicContact CE2-CG2 3.47Å; F121-T258 VanDerWaalsContact CE2-CG2 3.47Å; F121-T258 HydrophobicContact CG-CG2 4.36Å; F121-T258 VanDerWaalsContact CZ-CB 3.44Å; F121-T258 HydrophobicContact CZ-CG2 3.53Å; F121-F262 HydrophobicContact CD1-CD2 4.46Å; F121-F262 AromaticContact CD1-CE2 3.47Å; F121-F262 HydrophobicContact CD1-CE2 3.47Å; F121-F262 VanDerWaalsContact CD1-CE2 3.47Å; F121-F262 AromaticContact CD1-CZ 3.81Å; F121-F262 HydrophobicContact CD1-CZ 3.81Å; F121-F262 HydrophobicContact CE1-CD2 4.22Å; F121-F262 AromaticContact CE1-CE2 3.59Å; F121-F262 HydrophobicContact CE1-CE2 3.59Å; F121-F262 HydrophobicContact CE1-CZ 4.37Å; F121-F262 HydrophobicContact CG-CE2 4.44Å; F121-L298 HydrophobicContact CD1-CD1 4.1Å; F121-L298 HydrophobicContact CD1-CD2 4.25Å; F121-L298 HydrophobicContact CE1-CD1 4.19Å; F121-L298 HydrophobicContact CE1-CD2 4.26Å |
| 122 | C | 95.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 36.9 Ų | 36.9 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 131.1 | -175.8 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | Q118 F120 F304 R309 | Q118-C122 PolarHBondContact O-N 3.4Å; F120-C122 PolarHBondContact O-N 3.12Å; C122-F304 HydrophobicContact CB-CB 3.98Å; C122-F304 HydrophobicContact CB-CD1 4.4Å; C122-F304 HydrophobicContact CB-CG 4.05Å; C122-F304 WeakPolarHBondContact O-CD1 3.49Å; C122-R309 HydrophobicContact CB-CB 3.84Å; C122-R309 HydrophobicContact CB-CG 4.03Å |
| 123 | G | 93.3 | Very high | 96.5 | Very high | 71 Ų | 71 | 38.5 Ų | 38.5 | 73% | 0.732 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -11.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F121 | F121-G123 PolarHBondContact O-N 3.46Š|
| 124 | L | 96.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -100.6 | 150.5 | 172.1 | -68.3 | 82.2 | 0 | 0 | 0 | 110.8 | P84 S89 I91 F121 F170 F262 | P84-L124 HydrophobicContact CB-CD2 4.27Å; P84-L124 HydrophobicContact CB-CG 4.39Å; P84-L124 HydrophobicContact CG-CD1 4.12Å; P84-L124 HydrophobicContact CG-CD2 3.74Å; P84-L124 HydrophobicContact CG-CG 4.13Å; S89-L124 WeakPolarHBondContact O-CA 3.16Å; S89-L124 WeakPolarHBondContact O-CB 3.41Å; I91-L124 HydrophobicContact CD1-CB 4.31Å; I91-L124 HydrophobicContact CD1-CD2 3.82Å; I91-L124 HydrophobicContact CG1-CD2 3.87Å; F121-L124 HydrophobicContact CB-CD1 4.31Å; F121-L124 WeakPolarHBondContact O-CB 3.28Å; F121-L124 WeakPolarHBondContact O-CD1 3.43Å; F121-L124 PolarHBondContact O-N 2.83Å; F121-L124 VanDerWaalsContact O-N 3.09Å; L124-F170 HydrophobicContact CD2-CB 4.4Å; L124-F170 HydrophobicContact CD2-CD1 3.88Å; L124-F170 HydrophobicContact CD2-CE1 4.45Å; L124-F170 HydrophobicContact CD2-CG 4.16Å; L124-F262 HydrophobicContact CD1-CZ 4.3Å; L124-F262 HydrophobicContact CD2-CZ 4Å |
| 125 | S | 97.1 | Very high | 96.4 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 142.8 | 168.6 | -65.8 | 0 | 0 | 0 | 0 | 109.8 | S89 T90 I91 | S89-S125 PolarHBondContact O-N 2.99Å; S89-S125 VanDerWaalsContact O-N 3.12Å; T90-S125 CarbonylContact C-O 3.46Å; T90-S125 WeakPolarHBondContact CA-O 3.49Å; I91-S125 PolarHBondContact N-O 3.15Å |
| 126 | V | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122 | 173.2 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | I91 I93 R114 C117 Q118 | I91-V126 HydrophobicContact CB-CG1 4.32Å; I91-V126 HydrophobicContact CB-CG2 4.19Å; I91-V126 HydrophobicContact CD1-CG2 4.32Å; I91-V126 HydrophobicContact CG2-CG1 4.32Å; I91-V126 VanDerWaalsContact O-CA 3.3Å; I91-V126 WeakPolarHBondContact O-CA 3.32Å; I93-V126 HydrophobicContact CD1-CG1 3.71Å; I93-V126 HydrophobicContact CG1-CG1 4.01Å; R114-V126 WeakPolarHBondContact CD-O 3.05Å; R114-V126 HydrophobicContact CG-CB 4.12Å; R114-V126 HydrophobicContact CG-CG1 3.87Å; C117-V126 HydrophobicContact CB-CG1 4.2Å; C117-V126 HydrophobicContact CB-CG2 4.33Å; Q118-V126 VanDerWaalsContact CA-CG2 3.48Å; Q118-V126 HydrophobicContact CB-CB 4.08Å; Q118-V126 HydrophobicContact CB-CG2 3.62Å; Q118-V126 HydrophobicContact CG-CG2 4.18Å |
| 127 | E | 98.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 41 Ų | 41 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.9 | -175.6 | -66.2 | -168.2 | 173 | 0 | 0 | 111.8 | T90 I91 Y92 I93 | T90-E127 HydrophobicContact CG2-CB 4.23Å; T90-E127 HydrophobicContact CG2-CG 3.85Å; I91-E127 PolarHBondContact O-N 3.39Å; Y92-E127 CarbonylContact C-O 3.52Å; Y92-E127 WeakPolarHBondContact CA-O 3.43Å; Y92-E127 HydrophobicContact CD1-CB 3.83Å; Y92-E127 HydrophobicContact CE1-CB 3.7Å; Y92-E127 HydrophobicContact CE1-CG 4.34Å; Y92-E127 WeakPolarHBondContact CE1-OE2 3.48Å; Y92-E127 PolarHBondContact OH-OE2 3.16Å; I93-E127 PolarHBondContact N-O 3.41Å |
| 128 | L | 96.9 | Very high | 96.1 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.2 | 171.9 | -61.7 | -177.6 | 0 | 0 | 0 | 109.4 | I93 V110 E111 R114 | I93-L128 HydrophobicContact CB-CD2 3.73Å; I93-L128 HydrophobicContact CD1-CD2 4.13Å; I93-L128 HydrophobicContact CG1-CD2 4.4Å; I93-L128 HydrophobicContact CG2-CD2 4.06Å; V110-L128 HydrophobicContact CG1-CD1 3.82Å; V110-L128 HydrophobicContact CG1-CD2 3.66Å; V110-L128 HydrophobicContact CG1-CG 4.37Å; E111-L128 HydrophobicContact CG-CD1 4.12Å; R114-L128 HydrophobicContact CB-CD1 4.43Å; R114-L128 HydrophobicContact CB-CD2 3.83Å; R114-L128 HydrophobicContact CB-CG 4.13Å; R114-L128 HydrophobicContact CG-CD2 4.08Å; R114-L128 HydrophobicContact CG-CG 4.07Å |
| 129 | L | 96.1 | Very high | 96 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 153.8 | 166.3 | -65.2 | 176.8 | 0 | 0 | 0 | 109.9 | Y92 I93 Q94 A131 P166 I172 | Y92-L129 HydrophobicContact CD1-CD1 4.42Å; Y92-L129 HydrophobicContact CD1-CD2 3.67Å; Y92-L129 HydrophobicContact CD1-CG 3.92Å; Y92-L129 HydrophobicContact CE1-CD2 4.16Å; I93-L129 PolarHBondContact O-N 3.47Å; Q94-L129 HydrophobicContact CB-CD1 4.31Å; L129-A131 PolarHBondContact O-N 3.28Å; L129-P166 HydrophobicContact CD2-CG 4.48Å; L129-I172 HydrophobicContact CD1-CD1 3.64Å; L129-I172 HydrophobicContact CD1-CG1 4.42Å |
| 130 | P | 93.9 | Very high | 96 | Very high | 98 Ų | 98 | 40.8 Ų | 40.8 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 131.9 | 174.4 | -26 | 34.5 | 0 | 0 | 0 | 111.1 | Q94 | Q94-P130 PolarHBondContact NE2-O 3.36Å |
| 131 | A | 93.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 141.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T95 L129 | T95-A131 HydrophobicContact CG2-CB 4.2Å; L129-A131 PolarHBondContact O-N 3.28Å |
| 132 | V | 94.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.9 | 178.5 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | Q94 T95 I96 G97 E136 T137 F160 | Q94-V132 HydrophobicContact CG-CG2 4.37Å; T95-V132 WeakPolarHBondContact O-CG2 3.42Å; T95-V132 PolarHBondContact O-N 2.95Å; I96-V132 HydrophobicContact CB-CG2 4.44Å; I96-V132 HydrophobicContact CG1-CG2 3.99Å; G97-V132 PolarHBondContact N-O 2.89Å; V132-E136 HydrophobicContact CB-CB 4.35Å; V132-T137 HydrophobicContact CG2-CG2 4.31Å; V132-F160 HydrophobicContact CB-CZ 4.29Å; V132-F160 HydrophobicContact CG1-CZ 4.14Å; V132-F160 HydrophobicContact CG2-CE1 3.91Å; V132-F160 HydrophobicContact CG2-CZ 3.85Å |
| 133 | S | 94.5 | Very high | 95.4 | Very high | 46 Ų | 46 | 43.6 Ų | 43.6 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | trans | -68.5 | 159.1 | 170.9 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | S135 E136 | S133-S135 PolarHBondContact O-N 3.29Å; S133-S135 PolarHBondContact OG-OG 2.86Å; S133-E136 WeakPolarHBondContact CB-OE2 3.25Å; S133-E136 PolarHBondContact N-OE2 3.05Å; S133-E136 PolarHBondContact O-N 3.14Å; S133-E136 WeakPolarHBondContact OG-CG 3.45Å; S133-E136 PolarHBondContact OG-N 3.49Å; S133-E136 PolarHBondContact OG-OE2 3.37Å | ||
| 134 | V | 95.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -36.3 | 173.2 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | E136 T137 I152 I178 Y231 F234 | V134-E136 VanDerWaalsContact C-N 3.33Å; V134-E136 PolarHBondContact O-N 3.06Å; V134-T137 WeakPolarHBondContact O-CB 3.36Å; V134-T137 PolarHBondContact O-N 2.87Å; V134-T137 VanDerWaalsContact O-N 3.15Å; V134-T137 PolarHBondContact O-OG1 2.93Å; V134-I152 HydrophobicContact CG1-CG2 4.02Å; V134-I178 HydrophobicContact CG2-CD1 3.31Å; V134-Y231 HydrophobicContact CB-CD1 4.28Å; V134-Y231 HydrophobicContact CG1-CD1 3.86Å; V134-Y231 HydrophobicContact CG1-CE1 4.07Å; V134-F234 HydrophobicContact CB-CB 4.41Å; V134-F234 HydrophobicContact CB-CD2 4.02Å; V134-F234 HydrophobicContact CB-CE2 4.46Å; V134-F234 HydrophobicContact CB-CG 4.11Å; V134-F234 HydrophobicContact CG1-CD1 4.46Å; V134-F234 HydrophobicContact CG1-CD2 3.79Å; V134-F234 HydrophobicContact CG1-CE1 4.4Å; V134-F234 HydrophobicContact CG1-CE2 3.72Å; V134-F234 HydrophobicContact CG1-CG 4.17Å; V134-F234 HydrophobicContact CG1-CZ 4.04Å; V134-F234 HydrophobicContact CG2-CB 4.1Å; V134-F234 HydrophobicContact CG2-CD1 4.1Å; V134-F234 HydrophobicContact CG2-CD2 4.35Å; V134-F234 HydrophobicContact CG2-CG 3.93Å |
| 135 | S | 95.4 | Very high | 94.8 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | -179.6 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | S133 T137 G138 Y231 | S133-S135 PolarHBondContact O-N 3.29Å; S133-S135 PolarHBondContact OG-OG 2.86Å; S135-T137 PolarHBondContact O-N 3.44Å; S135-G138 PolarHBondContact O-N 3.45Å; S135-Y231 VanDerWaalsContact CA-CG 3.48Å |
| 136 | E | 96.1 | Very high | 94.3 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.8 | -24 | 177.9 | -74.4 | 166.1 | 83.2 | 0 | 0 | 113 | V132 S133 V134 G138 F160 | V132-E136 HydrophobicContact CB-CB 4.35Å; S133-E136 WeakPolarHBondContact CB-OE2 3.25Å; S133-E136 PolarHBondContact N-OE2 3.05Å; S133-E136 PolarHBondContact O-N 3.14Å; S133-E136 WeakPolarHBondContact OG-CG 3.45Å; S133-E136 PolarHBondContact OG-N 3.49Å; S133-E136 PolarHBondContact OG-OE2 3.37Å; V134-E136 VanDerWaalsContact C-N 3.33Å; V134-E136 PolarHBondContact O-N 3.06Å; E136-G138 VanDerWaalsContact C-N 3.29Å; E136-F160 WeakPolarHBondContact O-CE2 3.34Å |
| 137 | T | 96.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.9 | -25.9 | 176.7 | 74 | 0 | 0 | 0 | 0 | 112.3 | I96 V132 V134 S135 C139 L157 F160 | I96-T137 HydrophobicContact CG2-CG2 3.69Å; V132-T137 HydrophobicContact CG2-CG2 4.31Å; V134-T137 WeakPolarHBondContact O-CB 3.36Å; V134-T137 PolarHBondContact O-N 2.87Å; V134-T137 VanDerWaalsContact O-N 3.15Å; V134-T137 PolarHBondContact O-OG1 2.93Å; S135-T137 PolarHBondContact O-N 3.44Å; T137-C139 PolarHBondContact O-N 2.83Å; T137-C139 WeakPolarHBondContact OG1-CB 3.23Å; T137-C139 PolarHBondContact OG1-N 2.78Å; T137-C139 VanDerWaalsContact OG1-N 3.14Å; T137-C139 PolarHBondContact OG1-SG 2.81Å; T137-L157 HydrophobicContact CG2-CD2 3.89Å; T137-F160 HydrophobicContact CG2-CD1 4.27Å; T137-F160 HydrophobicContact CG2-CE1 4.24Å; T137-F160 HydrophobicContact CG2-CG 4.43Å; T137-F160 HydrophobicContact CG2-CZ 4.35Å |
| 138 | G | 95.7 | Very high | 93.3 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 20.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S135 E136 Y231 | S135-G138 PolarHBondContact O-N 3.45Å; E136-G138 VanDerWaalsContact C-N 3.29Å; G138-Y231 VanDerWaalsContact CA-OH 3.27Å; G138-Y231 WeakPolarHBondContact CA-OH 3.39Å; G138-Y231 PolarHBondContact O-OH 2.81Å |
| 139 | C | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -70.9 | 147.2 | -175.8 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | T137 D156 L157 Y231 | T137-C139 PolarHBondContact O-N 2.83Å; T137-C139 WeakPolarHBondContact OG1-CB 3.23Å; T137-C139 PolarHBondContact OG1-N 2.78Å; T137-C139 VanDerWaalsContact OG1-N 3.14Å; T137-C139 PolarHBondContact OG1-SG 2.81Å; C139-D156 HydrophobicContact CB-CB 3.77Å; C139-L157 HydrophobicContact CB-CD2 3.72Å; C139-L157 HydrophobicContact CB-CG 4.32Å; C139-Y231 PolarHBondContact N-OH 3.14Å; C139-Y231 WeakPolarHBondContact O-CE1 3.36Å; C139-Y231 PolarHBondContact O-OH 2.64Å | ||
| 140 | S | 96.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | trans | -67 | 147 | 166.5 | -51.8 | 0 | 0 | 0 | 0 | 110.4 | L153 D156 | S140-L153 PolarHBondContact O-N 3.02Å; S140-D156 VanDerWaalsContact CB-OD2 3.3Å; S140-D156 WeakPolarHBondContact CB-OD2 3.3Å; S140-D156 PolarHBondContact N-OD2 3.13Å; S140-D156 PolarHBondContact OG-OD2 3.24Å | ||
| 141 | F | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 159.2 | 178.2 | 55.7 | -92.8 | 0 | 0 | 0 | 113.1 | Q151 I152 L226 R227 Q228 D230 Y231 V233 F234 | F141-Q151 CarbonylContact C-O 3.48Å; F141-Q151 WeakPolarHBondContact CA-O 3.48Å; F141-Q151 VanDerWaalsContact CB-O 3.25Å; F141-Q151 WeakPolarHBondContact CB-O 3.19Å; F141-I152 HydrophobicContact CB-CG2 4.03Å; F141-L226 HydrophobicContact CD2-CD1 4.08Å; F141-L226 HydrophobicContact CD2-CD2 4.22Å; F141-L226 HydrophobicContact CE2-CB 4.25Å; F141-L226 HydrophobicContact CE2-CD1 4.41Å; F141-L226 HydrophobicContact CE2-CD2 3.97Å; F141-L226 HydrophobicContact CE2-CG 4.45Å; F141-R227 WeakPolarHBondContact CZ-O 3.45Å; F141-Q228 PolarHBondContact O-NE2 3.39Å; F141-D230 WeakPolarHBondContact CZ-O 3.48Å; F141-Y231 HydrophobicContact CD1-CD1 4.15Å; F141-Y231 AromaticContact CD1-CE1 3.72Å; F141-Y231 HydrophobicContact CD1-CE1 3.72Å; F141-Y231 AromaticContact CE1-CD1 3.82Å; F141-Y231 HydrophobicContact CE1-CD1 3.82Å; F141-Y231 AromaticContact CE1-CE1 3.6Å; F141-Y231 HydrophobicContact CE1-CE1 3.6Å; F141-Y231 HydrophobicContact CE1-CG 4.4Å; F141-V233 HydrophobicContact CD2-CG2 4.26Å; F141-V233 HydrophobicContact CE2-CG2 3.84Å; F141-V233 HydrophobicContact CZ-CG2 4.24Å; F141-F234 HydrophobicContact CB-CE2 4.06Å; F141-F234 HydrophobicContact CB-CZ 3.69Å; F141-F234 AromaticContact CD1-CE2 3.76Å; F141-F234 HydrophobicContact CD1-CE2 3.76Å; F141-F234 HydrophobicContact CD1-CZ 4.28Å; F141-F234 HydrophobicContact CD2-CE2 4.14Å; F141-F234 HydrophobicContact CD2-CZ 4.31Å; F141-F234 HydrophobicContact CE1-CE2 4.2Å; F141-F234 AromaticContact CG-CE2 3.73Å; F141-F234 HydrophobicContact CG-CE2 3.73Å; F141-F234 AromaticContact CG-CZ 3.86Å; F141-F234 HydrophobicContact CG-CZ 3.86Å |
| 142 | R | 93.4 | Very high | 93 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 17% | 0.166 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 168.5 | 178.1 | 69.3 | -178.9 | -170.4 | -177.7 | 1.7 | 111.9 | L150 Q151 Y181 D184 W186 N187 L226 | R142-L150 CarbonylContact O-C 3.59Å; R142-L150 WeakPolarHBondContact O-CA 3.29Å; R142-Q151 HydrophobicContact CG-CB 4.01Å; R142-Q151 VanDerWaalsContact CZ-OE1 3.3Å; R142-Q151 PolarHBondContact N-O 2.87Å; R142-Q151 PolarHBondContact O-N 2.69Å; R142-Y181 HydrophobicContact CG-CD1 4.23Å; R142-Y181 HydrophobicContact CG-CE1 3.87Å; R142-Y181 HydrophobicContact CG-CE2 4.41Å; R142-D184 PolarHBondContact NH1-O 3.48Å; R142-W186 PolarHBondContact NH1-O 3.5Å; R142-W186 PolarHBondContact NH2-O 3.3Å; R142-N187 PolarHBondContact NH2-O 3.31Å; R142-L226 VanDerWaalsContact C-CD1 3.49Å |
| 143 | V | 92.1 | Very high | 93.1 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 29% | 0.285 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.2 | 160.6 | -177 | 0 | 0 | 0 | 0 | 107.4 | S145 N149 L150 V220 L226 | V143-S145 PolarHBondContact O-N 3.38Å; V143-N149 WeakPolarHBondContact CA-O 3.22Å; V143-L150 HydrophobicContact CG2-CD2 4.24Å; V143-V220 HydrophobicContact CG2-CG2 4.45Å; V143-L226 HydrophobicContact CB-CD1 4.45Å; V143-L226 HydrophobicContact CG2-CD1 3.69Å; V143-L226 HydrophobicContact CG2-CD2 4.26Å; V143-L226 HydrophobicContact CG2-CG 4.07Å |
| 144 | N | 90.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -64.1 | 132.3 | 175.2 | -173.1 | -89.9 | 0 | 0 | 0 | 110.5 | S146 S147 H148 N149 Q151 N187 | N144-S146 VanDerWaalsContact C-N 3.27Å; N144-S146 PolarHBondContact O-N 2.85Å; N144-S146 WeakPolarHBondContact OD1-CA 3.46Å; N144-S146 WeakPolarHBondContact OD1-CB 3.43Å; N144-S146 PolarHBondContact OD1-N 3.19Å; N144-S147 VanDerWaalsContact CB-OG 3.24Å; N144-S147 WeakPolarHBondContact CB-OG 3.36Å; N144-S147 PolarHBondContact OD1-N 2.94Å; N144-S147 PolarHBondContact OD1-OG 3.37Å; N144-H148 WeakPolarHBondContact O-CA 3.45Å; N144-H148 PolarHBondContact O-N 3.5Å; N144-N149 PolarHBondContact N-O 3.32Å; N144-Q151 HydrophobicContact CB-CG 4.04Å; N144-Q151 PolarHBondContact ND2-NE2 3.47Å; N144-Q151 PolarHBondContact ND2-OE1 3.07Å; N144-N187 PolarHBondContact ND2-O 3.41Å | ||
| 145 | S | 86.3 | Confident | 93.1 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.3 | -178.1 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | V143 H148 | V143-S145 PolarHBondContact O-N 3.38Å; S145-H148 PolarHBondContact O-NE2 2.95Å |
| 146 | S | 86.1 | Confident | 93.1 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 57% | 0.573 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -51.7 | -175.8 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | N144 H148 | N144-S146 VanDerWaalsContact C-N 3.27Å; N144-S146 PolarHBondContact O-N 2.85Å; N144-S146 WeakPolarHBondContact OD1-CA 3.46Å; N144-S146 WeakPolarHBondContact OD1-CB 3.43Å; N144-S146 PolarHBondContact OD1-N 3.19Å; S146-H148 PolarHBondContact O-CD2 2.97Å |
| 147 | S | 86.1 | Confident | 93.1 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -28 | 179.1 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | N144 N149 R219 | N144-S147 VanDerWaalsContact CB-OG 3.24Å; N144-S147 WeakPolarHBondContact CB-OG 3.36Å; N144-S147 PolarHBondContact OD1-N 2.94Å; N144-S147 PolarHBondContact OD1-OG 3.37Å; S147-N149 PolarHBondContact O-N 2.88Å; S147-N149 PolarHBondContact O-OD1 3.26Å; S147-N149 PolarHBondContact OG-N 3.32Å; S147-R219 WeakPolarHBondContact O-CG 3.25Å; S147-R219 PolarHBondContact O-NE 3.25Å; S147-R219 VanDerWaalsContact O-NE 3.08Å |
| 148 | H | 89.2 | Confident | 93.1 | Very high | 79 Ų | 79 | 27.8 Ų | 27.8 | 37% | 0.366 | 18% | 0.18 | S | C | . | . | trans | 63.8 | 22.2 | -168.9 | -52.8 | -96.2 | 0 | 0 | 0 | 114 | N144 S145 S146 R219 V220 | N144-H148 WeakPolarHBondContact O-CA 3.45Å; N144-H148 PolarHBondContact O-N 3.5Å; S145-H148 PolarHBondContact O-NE2 2.95Å; S146-H148 PolarHBondContact O-CD2 2.97Å; H148-R219 PolarHBondContact CD2-NH2 3.41Å; H148-V220 WeakPolarHBondContact O-CG2 3.29Å; H148-V220 PolarHBondContact O-N 2.92Å | ||
| 149 | N | 90.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | trans | -93.6 | 156.1 | 174.7 | -61.1 | -11.6 | 0 | 0 | 0 | 110.2 | V143 N144 S147 F211 Y216 G218 R219 | V143-N149 WeakPolarHBondContact CA-O 3.22Å; N144-N149 PolarHBondContact N-O 3.32Å; S147-N149 PolarHBondContact O-N 2.88Å; S147-N149 PolarHBondContact O-OD1 3.26Å; S147-N149 PolarHBondContact OG-N 3.32Å; N149-F211 WeakPolarHBondContact ND2-CE2 3.49Å; N149-F211 WeakPolarHBondContact ND2-CZ 3.48Å; N149-Y216 WeakPolarHBondContact ND2-CE1 3.47Å; N149-G218 PolarHBondContact OD1-O 2.76Å; N149-R219 WeakPolarHBondContact OD1-CA 3.46Å; N149-R219 WeakPolarHBondContact OD1-CG 3.38Å; N149-R219 PolarHBondContact OD1-N 2.91Å | ||
| 150 | L | 92.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 137.1 | 168.8 | -72.1 | 168.5 | 0 | 0 | 0 | 109.8 | R142 V143 D179 V220 L226 V233 F234 | R142-L150 CarbonylContact O-C 3.59Å; R142-L150 WeakPolarHBondContact O-CA 3.29Å; V143-L150 HydrophobicContact CG2-CD2 4.24Å; L150-D179 WeakPolarHBondContact O-CB 3.47Å; L150-V220 HydrophobicContact CD2-CG2 4.5Å; L150-V220 HydrophobicContact CG-CG2 4.07Å; L150-L226 HydrophobicContact CD2-CD2 4.17Å; L150-V233 HydrophobicContact CD1-CG2 4.49Å; L150-V233 WeakPolarHBondContact CD1-O 3.35Å; L150-V233 HydrophobicContact CD2-CG2 4.37Å; L150-F234 HydrophobicContact CB-CE1 3.93Å; L150-F234 HydrophobicContact CD1-CD1 3.92Å; L150-F234 HydrophobicContact CD1-CE1 3.87Å; L150-F234 HydrophobicContact CG-CE1 4.37Å |
| 151 | Q | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144 | 174.1 | -65.8 | -172.8 | -57.5 | 0 | 0 | 110.9 | F141 R142 N144 D179 L180 Y181 N187 | F141-Q151 CarbonylContact C-O 3.48Å; F141-Q151 WeakPolarHBondContact CA-O 3.48Å; F141-Q151 VanDerWaalsContact CB-O 3.25Å; F141-Q151 WeakPolarHBondContact CB-O 3.19Å; R142-Q151 HydrophobicContact CG-CB 4.01Å; R142-Q151 VanDerWaalsContact CZ-OE1 3.3Å; R142-Q151 PolarHBondContact N-O 2.87Å; R142-Q151 PolarHBondContact O-N 2.69Å; N144-Q151 HydrophobicContact CB-CG 4.04Å; N144-Q151 PolarHBondContact ND2-NE2 3.47Å; N144-Q151 PolarHBondContact ND2-OE1 3.07Å; Q151-D179 CarbonylContact C-O 3.55Å; Q151-D179 WeakPolarHBondContact CA-O 3.41Å; Q151-D179 HydrophobicContact CG-CB 3.86Å; Q151-D179 VanDerWaalsContact CG-OD2 3.31Å; Q151-D179 WeakPolarHBondContact CG-OD2 3.24Å; Q151-D179 PolarHBondContact NE2-OD2 3.32Å; Q151-L180 PolarHBondContact NE2-O 3.04Å; Q151-Y181 HydrophobicContact CB-CD1 3.65Å; Q151-Y181 HydrophobicContact CB-CE1 4.24Å; Q151-Y181 HydrophobicContact CB-CG 4.44Å; Q151-N187 PolarHBondContact NE2-O 3.45Å; Q151-N187 PolarHBondContact OE1-O 3.17Å |
| 152 | I | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.3 | 174.7 | 58.3 | -179.7 | 0 | 0 | 0 | 111.1 | V134 F141 T154 L157 T176 I178 D179 L180 Y181 F234 | V134-I152 HydrophobicContact CG1-CG2 4.02Å; F141-I152 HydrophobicContact CB-CG2 4.03Å; I152-T154 PolarHBondContact O-N 3.12Å; I152-L157 HydrophobicContact CD1-CD1 3.61Å; I152-L157 HydrophobicContact CD1-CD2 4.35Å; I152-L157 HydrophobicContact CG1-CD1 3.9Å; I152-T176 HydrophobicContact CD1-CG2 4.3Å; I152-I178 HydrophobicContact CD1-CB 4.07Å; I152-I178 HydrophobicContact CD1-CD1 4.26Å; I152-I178 HydrophobicContact CD1-CG2 4.18Å; I152-I178 HydrophobicContact CG1-CB 4.38Å; I152-I178 HydrophobicContact CG1-CG2 4.03Å; I152-I178 HydrophobicContact CG2-CG2 4.01Å; I152-D179 PolarHBondContact N-O 3.29Å; I152-L180 HydrophobicContact CD1-CD2 4.06Å; I152-L180 HydrophobicContact CG1-CD2 3.5Å; I152-Y181 VanDerWaalsContact C-CD1 3.46Å; I152-Y181 VanDerWaalsContact C-CE1 3.4Å; I152-Y181 VanDerWaalsContact O-CD1 3.28Å; I152-Y181 WeakPolarHBondContact O-CD1 3.45Å; I152-Y181 PolarHBondContact O-N 2.99Å; I152-F234 HydrophobicContact CG2-CE1 3.88Å; I152-F234 HydrophobicContact CG2-CE2 4.43Å; I152-F234 HydrophobicContact CG2-CZ 3.53Å |
| 153 | L | 96.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 40.2 Ų | 40.2 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 119.5 | -172.6 | -176.8 | 65.7 | 0 | 0 | 0 | 110.8 | S140 G155 D156 L157 Y181 P182 | S140-L153 PolarHBondContact O-N 3.02Å; L153-G155 VanDerWaalsContact C-N 3.31Å; L153-G155 PolarHBondContact O-N 3.5Å; L153-D156 PolarHBondContact O-N 3.16Å; L153-L157 PolarHBondContact O-N 3.36Å; L153-Y181 HydrophobicContact CB-CD1 4.45Å; L153-Y181 HydrophobicContact CB-CE1 3.74Å; L153-Y181 HydrophobicContact CB-CE2 4.39Å; L153-Y181 HydrophobicContact CD1-CD2 3.9Å; L153-Y181 HydrophobicContact CD1-CE1 4.3Å; L153-Y181 HydrophobicContact CD1-CE2 3.54Å; L153-Y181 HydrophobicContact CD1-CG 4.43Å; L153-Y181 HydrophobicContact CG-CE2 4.49Å; L153-Y181 VanDerWaalsContact N-CE1 3.29Å; L153-P182 WeakPolarHBondContact CD1-O 3.23Å |
| 154 | T | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | -177.6 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | I152 D156 L157 L158 L180 Y181 P182 V189 Q192 V201 | I152-T154 PolarHBondContact O-N 3.12Å; T154-D156 VanDerWaalsContact C-N 3.28Å; T154-D156 PolarHBondContact O-N 2.94Å; T154-L157 PolarHBondContact O-N 3.22Å; T154-L157 VanDerWaalsContact O-N 3.15Å; T154-L158 WeakPolarHBondContact O-CG 3.38Å; T154-L158 PolarHBondContact O-N 2.91Å; T154-L180 HydrophobicContact CG2-CB 3.8Å; T154-L180 HydrophobicContact CG2-CD1 4.13Å; T154-L180 HydrophobicContact CG2-CD2 4.21Å; T154-L180 HydrophobicContact CG2-CG 4.25Å; T154-Y181 PolarHBondContact N-O 3.25Å; T154-Y181 PolarHBondContact OG1-O 3.33Å; T154-P182 WeakPolarHBondContact OG1-CA 3.45Å; T154-V189 HydrophobicContact CG2-CG2 3.83Å; T154-Q192 HydrophobicContact CG2-CB 4.07Å; T154-Q192 PolarHBondContact OG1-OE1 3.16Å; T154-V201 HydrophobicContact CG2-CG1 4.07Å |
| 155 | G | 94.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -34.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L153 R159 | L153-G155 VanDerWaalsContact C-N 3.31Å; L153-G155 PolarHBondContact O-N 3.5Å; G155-R159 PolarHBondContact O-N 3.33Å |
| 156 | D | 96.1 | Very high | 94.2 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 15% | 0.15 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75 | -38.7 | 175.9 | -68.8 | -22.1 | 0 | 0 | 0 | 111.1 | C139 S140 L153 T154 R159 F160 | C139-D156 HydrophobicContact CB-CB 3.77Å; S140-D156 VanDerWaalsContact CB-OD2 3.3Å; S140-D156 WeakPolarHBondContact CB-OD2 3.3Å; S140-D156 PolarHBondContact N-OD2 3.13Å; S140-D156 PolarHBondContact OG-OD2 3.24Å; L153-D156 PolarHBondContact O-N 3.16Å; T154-D156 VanDerWaalsContact C-N 3.28Å; T154-D156 PolarHBondContact O-N 2.94Å; D156-R159 WeakPolarHBondContact O-CB 3.42Å; D156-R159 PolarHBondContact O-N 3.04Å; D156-R159 IonicContact OD1-NH2 2.72Å; D156-F160 PolarHBondContact O-N 3.06Å |
| 157 | L | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.4 | -58.2 | -179.9 | 0 | 0 | 0 | 111.8 | I96 T137 C139 I152 L153 T154 R159 F160 L161 L180 V201 | I96-L157 HydrophobicContact CD1-CD2 4.21Å; I96-L157 HydrophobicContact CG2-CD2 4.48Å; T137-L157 HydrophobicContact CG2-CD2 3.89Å; C139-L157 HydrophobicContact CB-CD2 3.72Å; C139-L157 HydrophobicContact CB-CG 4.32Å; I152-L157 HydrophobicContact CD1-CD1 3.61Å; I152-L157 HydrophobicContact CD1-CD2 4.35Å; I152-L157 HydrophobicContact CG1-CD1 3.9Å; L153-L157 PolarHBondContact O-N 3.36Å; T154-L157 PolarHBondContact O-N 3.22Å; T154-L157 VanDerWaalsContact O-N 3.15Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.44Å; L157-F160 WeakPolarHBondContact O-CB 3.43Å; L157-F160 PolarHBondContact O-N 3.29Å; L157-F160 VanDerWaalsContact O-N 3.12Å; L157-L161 VanDerWaalsContact O-CG 3.32Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 2.96Å; L157-L180 HydrophobicContact CD1-CD2 3.83Å; L157-V201 HydrophobicContact CB-CB 4.44Å; L157-V201 HydrophobicContact CB-CG1 4.26Å; L157-V201 HydrophobicContact CB-CG2 4.11Å; L157-V201 HydrophobicContact CD1-CG2 3.65Å |
| 158 | L | 95.3 | Very high | 95 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.6 | -70.7 | 173.3 | 0 | 0 | 0 | 111.6 | T154 F160 L161 G162 Q192 M199 V201 | T154-L158 WeakPolarHBondContact O-CG 3.38Å; T154-L158 PolarHBondContact O-N 2.91Å; L158-F160 VanDerWaalsContact C-N 3.33Å; L158-L161 PolarHBondContact O-N 2.76Å; L158-G162 PolarHBondContact O-N 2.83Å; L158-Q192 HydrophobicContact CD1-CB 4.49Å; L158-Q192 HydrophobicContact CD1-CG 4.05Å; L158-M199 HydrophobicContact CD2-CB 4.11Å; L158-V201 HydrophobicContact CD2-CG1 4.12Å; L158-V201 HydrophobicContact CG-CG1 4.12Å |
| 159 | R | 95.8 | Very high | 95.4 | Very high | 161 Ų | 161 | 47 Ų | 47 | 61% | 0.608 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.6 | -37.7 | 175 | -165.5 | -174.7 | -46.9 | 178.7 | 14 | 112.2 | G155 D156 L157 K163 | G155-R159 PolarHBondContact O-N 3.33Å; D156-R159 WeakPolarHBondContact O-CB 3.42Å; D156-R159 PolarHBondContact O-N 3.04Å; D156-R159 IonicContact OD1-NH2 2.72Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.44Å; R159-K163 PolarHBondContact O-N 3.15Å |
| 160 | F | 96.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -48.6 | 173.8 | 170.2 | -95.4 | 0 | 0 | 0 | 111.4 | Q94 V132 E136 T137 D156 L157 L158 G162 K163 R164 | Q94-F160 HydrophobicContact CG-CE1 4.32Å; V132-F160 HydrophobicContact CB-CZ 4.29Å; V132-F160 HydrophobicContact CG1-CZ 4.14Å; V132-F160 HydrophobicContact CG2-CE1 3.91Å; V132-F160 HydrophobicContact CG2-CZ 3.85Å; E136-F160 WeakPolarHBondContact O-CE2 3.34Å; T137-F160 HydrophobicContact CG2-CD1 4.27Å; T137-F160 HydrophobicContact CG2-CE1 4.24Å; T137-F160 HydrophobicContact CG2-CG 4.43Å; T137-F160 HydrophobicContact CG2-CZ 4.35Å; D156-F160 PolarHBondContact O-N 3.06Å; L157-F160 WeakPolarHBondContact O-CB 3.43Å; L157-F160 PolarHBondContact O-N 3.29Å; L157-F160 VanDerWaalsContact O-N 3.12Å; L158-F160 VanDerWaalsContact C-N 3.33Å; F160-G162 VanDerWaalsContact C-N 3.29Å; F160-G162 PolarHBondContact O-N 3.28Å; F160-K163 PolarHBondContact O-N 3.28Å; F160-K163 VanDerWaalsContact O-N 3.11Å; F160-R164 HydrophobicContact CZ-CG 4.42Å; F160-R164 PolarHBondContact O-N 3.11Å |
| 161 | L | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 177.4 | -66.6 | 176 | 0 | 0 | 0 | 111.7 | Q94 L157 L158 K163 R164 K165 I172 M199 G200 V201 | Q94-L161 HydrophobicContact CB-CD2 3.66Å; Q94-L161 HydrophobicContact CG-CD2 3.72Å; L157-L161 VanDerWaalsContact O-CG 3.32Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 2.96Å; L158-L161 PolarHBondContact O-N 2.76Å; L161-K163 PolarHBondContact O-N 3.31Å; L161-R164 CarbonylContact O-C 3.57Å; L161-R164 PolarHBondContact O-N 3.3Å; L161-K165 PolarHBondContact O-N 3.48Å; L161-I172 HydrophobicContact CB-CD1 4.43Å; L161-I172 HydrophobicContact CB-CG2 4.22Å; L161-I172 HydrophobicContact CD2-CD1 3.88Å; L161-I172 HydrophobicContact CD2-CG1 4.17Å; L161-M199 HydrophobicContact CB-SD 4.3Å; L161-G200 WeakPolarHBondContact CD1-O 3.4Å; L161-V201 HydrophobicContact CD1-CB 4.27Å |
| 162 | G | 95.6 | Very high | 95.9 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -28.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L158 F160 M199 | L158-G162 PolarHBondContact O-N 2.83Å; F160-G162 VanDerWaalsContact C-N 3.29Å; F160-G162 PolarHBondContact O-N 3.28Å; G162-M199 WeakPolarHBondContact CA-SD 3.36Å; G162-M199 PolarHBondContact N-SD 3.42Å |
| 163 | K | 95.6 | Very high | 95.9 | Very high | 172 Ų | 172 | 46.2 Ų | 46.2 | 75% | 0.748 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -79.8 | -19.7 | 174.6 | -64.8 | 175.5 | -176.7 | 178.8 | 0 | 113.3 | R159 F160 L161 | R159-K163 PolarHBondContact O-N 3.15Å; F160-K163 PolarHBondContact O-N 3.28Å; F160-K163 VanDerWaalsContact O-N 3.11Å; L161-K163 PolarHBondContact O-N 3.31Å |
| 164 | R | 95.6 | Very high | 95.9 | Very high | 102 Ų | 102 | 44.8 Ų | 44.8 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -106.6 | -13.6 | -176.7 | -62.8 | -167.8 | 90.2 | 126.2 | -1.8 | 113.7 | F160 L161 P166 | F160-R164 HydrophobicContact CZ-CG 4.42Å; F160-R164 PolarHBondContact O-N 3.11Å; L161-R164 CarbonylContact O-C 3.57Å; L161-R164 PolarHBondContact O-N 3.3Å; R164-P166 WeakPolarHBondContact O-CD 3.48Å; R164-P166 VanDerWaalsContact O-N 3.11Å |
| 165 | K | 95.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 27% | 0.265 | 22% | 0.215 | S | C | . | . | trans | -52.6 | 115.7 | 179.9 | -171.6 | 179.4 | 179.2 | -174.1 | 0 | 109.8 | L161 A169 I172 D197 | L161-K165 PolarHBondContact O-N 3.48Å; K165-A169 HydrophobicContact CD-CB 4.43Å; K165-A169 WeakPolarHBondContact CE-O 3.19Å; K165-A169 HydrophobicContact CG-CB 3.77Å; K165-I172 HydrophobicContact CB-CG2 3.86Å; K165-I172 HydrophobicContact CD-CG2 4.09Å; K165-I172 HydrophobicContact CG-CB 4.24Å; K165-I172 HydrophobicContact CG-CG2 3.75Å; K165-D197 PolarHBondContact NZ-O 3.02Å | ||
| 166 | P | 96.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | trans | -60.8 | 155.7 | 175 | -27.4 | 39.4 | 0 | 0 | 0 | 111.7 | Y92 L129 R164 D168 A169 | Y92-P166 HydrophobicContact CD1-CG 3.84Å; Y92-P166 HydrophobicContact CD2-CB 4.13Å; Y92-P166 HydrophobicContact CD2-CG 3.74Å; Y92-P166 HydrophobicContact CE1-CB 4.33Å; Y92-P166 HydrophobicContact CE1-CG 3.73Å; Y92-P166 HydrophobicContact CE2-CB 3.58Å; Y92-P166 HydrophobicContact CE2-CG 3.61Å; Y92-P166 HydrophobicContact CG-CG 3.83Å; L129-P166 HydrophobicContact CD2-CG 4.48Å; R164-P166 WeakPolarHBondContact O-CD 3.48Å; R164-P166 VanDerWaalsContact O-N 3.11Å; P166-D168 VanDerWaalsContact C-N 3.29Å; P166-D168 WeakPolarHBondContact CB-OD1 3.46Å; P166-D168 PolarHBondContact O-N 2.96Å; P166-A169 HydrophobicContact CB-CB 4.31Å; P166-A169 WeakPolarHBondContact O-CB 3.35Å; P166-A169 PolarHBondContact O-N 3.24Å | ||
| 167 | K | 94.2 | Very high | 95.8 | Very high | 202 Ų | 202 | 42.4 Ų | 42.4 | 88% | 0.878 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -31.6 | -175.1 | -69.7 | -175.8 | 179.2 | 178.7 | 0 | 112.6 | H88 A169 | H88-K167 PolarHBondContact CD2-O 2.84Å; H88-K167 VanDerWaalsContact CD2-O 3.23Å; H88-K167 PolarHBondContact NE2-O 3.45Å; K167-A169 VanDerWaalsContact C-N 3.29Å |
| 168 | D | 95.6 | Very high | 95.6 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 35% | 0.353 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6.1 | 177.7 | 65.2 | -37.5 | 0 | 0 | 0 | 113.3 | G87 H88 Y92 P166 F170 | G87-D168 WeakPolarHBondContact O-CA 3.25Å; G87-D168 WeakPolarHBondContact O-CB 3.32Å; H88-D168 WeakPolarHBondContact CA-O 3.44Å; Y92-D168 PolarHBondContact OH-OD1 2.87Å; Y92-D168 PolarHBondContact OH-OD2 3Å; P166-D168 VanDerWaalsContact C-N 3.29Å; P166-D168 WeakPolarHBondContact CB-OD1 3.46Å; P166-D168 PolarHBondContact O-N 2.96Å; D168-F170 PolarHBondContact O-N 3.21Å |
| 169 | A | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 120.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T90 Y92 K165 P166 K167 C171 | T90-A169 CarbonylContact O-C 3.53Å; T90-A169 WeakPolarHBondContact O-CA 3.3Å; Y92-A169 HydrophobicContact CD2-CB 3.45Å; Y92-A169 VanDerWaalsContact CD2-CB 3.45Å; Y92-A169 HydrophobicContact CE2-CB 3.74Å; K165-A169 HydrophobicContact CD-CB 4.43Å; K165-A169 WeakPolarHBondContact CE-O 3.19Å; K165-A169 HydrophobicContact CG-CB 3.77Å; P166-A169 HydrophobicContact CB-CB 4.31Å; P166-A169 WeakPolarHBondContact O-CB 3.35Å; P166-A169 PolarHBondContact O-N 3.24Å; K167-A169 VanDerWaalsContact C-N 3.29Å; A169-C171 VanDerWaalsContact C-N 3.33Å |
| 170 | F | 96.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | -54.3 | 158.2 | 177.7 | -112.1 | 0 | 0 | 0 | 109.1 | K82 P84 H88 T90 I91 L124 D168 M261 F262 | K82-F170 HydrophobicContact CB-CE2 4.06Å; K82-F170 HydrophobicContact CB-CZ 4.35Å; P84-F170 HydrophobicContact CB-CD2 4.07Å; P84-F170 HydrophobicContact CB-CE2 4.37Å; P84-F170 HydrophobicContact CG-CD2 3.78Å; P84-F170 HydrophobicContact CG-CE1 4.47Å; P84-F170 HydrophobicContact CG-CE2 3.69Å; P84-F170 HydrophobicContact CG-CG 4.22Å; P84-F170 HydrophobicContact CG-CZ 4.06Å; H88-F170 WeakPolarHBondContact O-CB 3.29Å; T90-F170 PolarHBondContact O-N 3.15Å; I91-F170 HydrophobicContact CG1-CD1 4.3Å; L124-F170 HydrophobicContact CD2-CB 4.4Å; L124-F170 HydrophobicContact CD2-CD1 3.88Å; L124-F170 HydrophobicContact CD2-CE1 4.45Å; L124-F170 HydrophobicContact CD2-CG 4.16Å; D168-F170 PolarHBondContact O-N 3.21Å; F170-M261 HydrophobicContact CE1-CB 3.88Å; F170-M261 HydrophobicContact CZ-CB 4.39Å; F170-F262 HydrophobicContact CD1-CZ 4.38Å; F170-F262 HydrophobicContact CE1-CD1 4.2Å; F170-F262 AromaticContact CE1-CD2 3.95Å; F170-F262 HydrophobicContact CE1-CD2 3.95Å; F170-F262 AromaticContact CE1-CE1 3.91Å; F170-F262 HydrophobicContact CE1-CE1 3.91Å; F170-F262 AromaticContact CE1-CE2 3.6Å; F170-F262 HydrophobicContact CE1-CE2 3.6Å; F170-F262 HydrophobicContact CE1-CG 4.23Å; F170-F262 AromaticContact CE1-CZ 3.59Å; F170-F262 HydrophobicContact CE1-CZ 3.59Å; F170-F262 AromaticContact CZ-CD1 3.75Å; F170-F262 HydrophobicContact CZ-CD1 3.75Å; F170-F262 HydrophobicContact CZ-CD2 4.14Å; F170-F262 AromaticContact CZ-CE1 3.77Å; F170-F262 HydrophobicContact CZ-CE1 3.77Å; F170-F262 HydrophobicContact CZ-CE2 4.13Å; F170-F262 AromaticContact CZ-CG 3.95Å; F170-F262 HydrophobicContact CZ-CG 3.95Å; F170-F262 AromaticContact CZ-CZ 3.95Å; F170-F262 HydrophobicContact CZ-CZ 3.95Å |
| 171 | C | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 165 | 172.6 | 67.5 | 0 | 0 | 0 | 0 | 112 | Y92 A169 G198 M261 | Y92-C171 PolarHBondContact N-O 2.64Å; A169-C171 VanDerWaalsContact C-N 3.33Å; C171-G198 CarbonylContact C-O 3.56Å; C171-G198 WeakPolarHBondContact CA-O 3.46Å; C171-G198 VanDerWaalsContact CB-O 3.29Å; C171-G198 WeakPolarHBondContact CB-O 3.31Å; C171-M261 HydrophobicContact CB-CB 4.06Å; C171-M261 HydrophobicContact CB-CG 3.7Å; C171-M261 HydrophobicContact CB-SD 3.84Å |
| 172 | I | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.6 | 168.6 | -176.1 | 172.8 | 0 | 0 | 0 | 109.1 | Y92 Q94 L129 L161 K165 G198 M199 G200 | Y92-I172 CarbonylContact O-C 3.52Å; Y92-I172 WeakPolarHBondContact O-CA 3.27Å; Q94-I172 HydrophobicContact CB-CD1 4.41Å; L129-I172 HydrophobicContact CD1-CD1 3.64Å; L129-I172 HydrophobicContact CD1-CG1 4.42Å; L161-I172 HydrophobicContact CB-CD1 4.43Å; L161-I172 HydrophobicContact CB-CG2 4.22Å; L161-I172 HydrophobicContact CD2-CD1 3.88Å; L161-I172 HydrophobicContact CD2-CG1 4.17Å; K165-I172 HydrophobicContact CB-CG2 3.86Å; K165-I172 HydrophobicContact CD-CG2 4.09Å; K165-I172 HydrophobicContact CG-CB 4.24Å; K165-I172 HydrophobicContact CG-CG2 3.75Å; I172-G198 PolarHBondContact N-O 2.63Å; I172-M199 HydrophobicContact CG2-CB 4.33Å; I172-M199 HydrophobicContact CG2-CG 3.83Å; I172-M199 CarbonylContact O-C 3.57Å; I172-M199 VanDerWaalsContact O-CA 3.28Å; I172-M199 WeakPolarHBondContact O-CA 3.49Å; I172-G200 PolarHBondContact O-N 3.03Å |
| 173 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124 | 177.4 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | I91 Y92 I93 Q94 G200 F202 | I91-V173 HydrophobicContact CG2-CG2 4.45Å; Y92-V173 PolarHBondContact O-N 3.32Å; I93-V173 CarbonylContact C-O 3.57Å; I93-V173 WeakPolarHBondContact CA-O 3.37Å; I93-V173 HydrophobicContact CB-CG2 4.36Å; I93-V173 HydrophobicContact CG1-CG2 3.81Å; Q94-V173 PolarHBondContact N-O 3.49Å; V173-G200 CarbonylContact C-O 3.48Å; V173-G200 WeakPolarHBondContact CA-O 3.47Å; V173-F202 HydrophobicContact CB-CE2 3.64Å; V173-F202 HydrophobicContact CB-CZ 4.19Å; V173-F202 HydrophobicContact CG1-CE2 3.65Å; V173-F202 HydrophobicContact CG1-CZ 3.8Å |
| 174 | G | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q94 G200 V201 F202 | Q94-G174 CarbonylContact O-C 3.55Å; Q94-G174 VanDerWaalsContact O-CA 3.29Å; Q94-G174 WeakPolarHBondContact O-CA 3.22Å; G174-G200 PolarHBondContact N-O 2.99Å; G174-V201 CarbonylContact O-C 3.59Å; G174-V201 VanDerWaalsContact O-CA 3.28Å; G174-V201 WeakPolarHBondContact O-CA 3.19Å; G174-F202 PolarHBondContact O-N 3.26Å |
| 175 | I | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.7 | 172.8 | 59.6 | 169.1 | 0 | 0 | 0 | 110.2 | I93 Q94 I96 F99 V110 L113 F202 F204 | I93-I175 HydrophobicContact CG2-CD1 3.65Å; I93-I175 HydrophobicContact CG2-CG1 3.8Å; I93-I175 HydrophobicContact CG2-CG2 4.33Å; Q94-I175 PolarHBondContact O-N 3.22Å; I96-I175 PolarHBondContact N-O 2.81Å; F99-I175 HydrophobicContact CE1-CD1 4.01Å; F99-I175 HydrophobicContact CE1-CG1 4.32Å; F99-I175 HydrophobicContact CE2-CG1 4.38Å; F99-I175 HydrophobicContact CZ-CB 3.9Å; F99-I175 HydrophobicContact CZ-CD1 3.81Å; F99-I175 HydrophobicContact CZ-CG1 3.64Å; V110-I175 HydrophobicContact CG1-CD1 4.22Å; V110-I175 HydrophobicContact CG2-CD1 4.42Å; L113-I175 HydrophobicContact CD1-CD1 4.21Å; I175-F202 WeakPolarHBondContact CA-O 3.32Å; I175-F204 HydrophobicContact CB-CE2 3.96Å; I175-F204 HydrophobicContact CB-CZ 4.23Å; I175-F204 HydrophobicContact CD1-CE2 4.32Å; I175-F204 HydrophobicContact CG2-CE2 4.18Å; I175-F204 HydrophobicContact CG2-CZ 3.93Å |
| 176 | T | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.5 | 176.7 | -170.1 | 0 | 0 | 0 | 0 | 113 | I96 F99 I152 I178 L180 F202 S203 F204 | I96-T176 VanDerWaalsContact O-CB 3.31Å; I96-T176 WeakPolarHBondContact O-CB 3.35Å; I96-T176 PolarHBondContact O-OG1 3.25Å; F99-T176 VanDerWaalsContact CZ-CA 3.47Å; I152-T176 HydrophobicContact CD1-CG2 4.3Å; T176-I178 VanDerWaalsContact C-N 3.34Å; T176-I178 HydrophobicContact CG2-CB 4.46Å; T176-I178 VanDerWaalsContact CG2-O 3.27Å; T176-I178 WeakPolarHBondContact CG2-O 3.28Å; T176-I178 PolarHBondContact OG1-N 3.14Å; T176-I178 VanDerWaalsContact OG1-N 3.17Å; T176-L180 HydrophobicContact CG2-CD2 4.02Å; T176-L180 HydrophobicContact CG2-CG 4.36Å; T176-F202 PolarHBondContact N-O 2.83Å; T176-S203 VanDerWaalsContact O-CA 3.26Å; T176-S203 WeakPolarHBondContact O-CA 3.4Å; T176-F204 PolarHBondContact O-N 2.77Å |
| 177 | M | 92.9 | Very high | 91.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -94.1 | 9.4 | 167 | -71.4 | -67.5 | -179.5 | 0 | 0 | 112.7 | F99 Y109 F204 A205 Y237 T239 P240 L246 | F99-M177 HydrophobicContact CB-CG 4.21Å; F99-M177 HydrophobicContact CD1-CE 3.47Å; F99-M177 VanDerWaalsContact CD1-CE 3.47Å; F99-M177 HydrophobicContact CD1-CG 3.56Å; F99-M177 HydrophobicContact CD1-SD 4.29Å; F99-M177 HydrophobicContact CD2-CG 4.15Å; F99-M177 HydrophobicContact CE1-CE 3.86Å; F99-M177 HydrophobicContact CE1-CG 3.93Å; F99-M177 HydrophobicContact CE1-SD 4.48Å; F99-M177 HydrophobicContact CE2-CG 4.46Å; F99-M177 HydrophobicContact CG-CE 4.37Å; F99-M177 HydrophobicContact CG-CG 3.67Å; F99-M177 HydrophobicContact CZ-CG 4.35Å; Y109-M177 HydrophobicContact CD1-CE 4.37Å; Y109-M177 HydrophobicContact CE1-CE 3.57Å; M177-F204 HydrophobicContact CE-CB 4.04Å; M177-F204 HydrophobicContact CE-CD2 3.99Å; M177-F204 HydrophobicContact SD-CB 3.71Å; M177-F204 HydrophobicContact SD-CD2 4.38Å; M177-A205 VanDerWaalsContact O-CB 3.24Å; M177-A205 WeakPolarHBondContact O-CB 3.23Å; M177-Y237 HydrophobicContact CB-CE2 4.36Å; M177-T239 HydrophobicContact CB-CG2 4Å; M177-T239 HydrophobicContact CG-CG2 4.4Å; M177-P240 HydrophobicContact CE-CG 4.4Å; M177-P240 HydrophobicContact SD-CG 3.6Å; M177-L246 HydrophobicContact CE-CD2 4.09Å |
| 178 | I | 93.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -101.6 | 137.4 | 178.8 | -56.4 | 165.8 | 0 | 0 | 0 | 109.2 | V134 I152 T176 S203 F234 Y237 | V134-I178 HydrophobicContact CG2-CD1 3.31Å; I152-I178 HydrophobicContact CD1-CB 4.07Å; I152-I178 HydrophobicContact CD1-CD1 4.26Å; I152-I178 HydrophobicContact CD1-CG2 4.18Å; I152-I178 HydrophobicContact CG1-CB 4.38Å; I152-I178 HydrophobicContact CG1-CG2 4.03Å; I152-I178 HydrophobicContact CG2-CG2 4.01Å; T176-I178 VanDerWaalsContact C-N 3.34Å; T176-I178 HydrophobicContact CG2-CB 4.46Å; T176-I178 VanDerWaalsContact CG2-O 3.27Å; T176-I178 WeakPolarHBondContact CG2-O 3.28Å; T176-I178 PolarHBondContact OG1-N 3.14Å; T176-I178 VanDerWaalsContact OG1-N 3.17Å; I178-S203 VanDerWaalsContact C-OG 3.29Å; I178-S203 WeakPolarHBondContact O-CB 3.49Å; I178-S203 PolarHBondContact O-OG 3.24Å; I178-F234 HydrophobicContact CD1-CD1 3.8Å; I178-F234 HydrophobicContact CD1-CE1 4Å; I178-F234 HydrophobicContact CG2-CE1 3.99Å; I178-Y237 HydrophobicContact CD1-CD1 4.33Å; I178-Y237 HydrophobicContact CD1-CE1 3.67Å; I178-Y237 HydrophobicContact CD1-CE2 4.2Å; I178-Y237 HydrophobicContact CG1-CD1 4.43Å; I178-Y237 HydrophobicContact CG1-CD2 4.08Å; I178-Y237 HydrophobicContact CG1-CE1 3.91Å; I178-Y237 HydrophobicContact CG1-CE2 3.5Å; I178-Y237 VanDerWaalsContact CG1-CE2 3.5Å |
| 179 | D | 93.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 148.3 | -179.5 | -174.7 | 18.9 | 0 | 0 | 0 | 111.8 | L150 Q151 I152 A205 R206 F211 | L150-D179 WeakPolarHBondContact O-CB 3.47Å; Q151-D179 CarbonylContact C-O 3.55Å; Q151-D179 WeakPolarHBondContact CA-O 3.41Å; Q151-D179 HydrophobicContact CG-CB 3.86Å; Q151-D179 VanDerWaalsContact CG-OD2 3.31Å; Q151-D179 WeakPolarHBondContact CG-OD2 3.24Å; Q151-D179 PolarHBondContact NE2-OD2 3.32Å; I152-D179 PolarHBondContact N-O 3.29Å; D179-A205 HydrophobicContact CB-CB 4.15Å; D179-R206 IonicContact OD1-CZ 3.66Å; D179-R206 IonicContact OD1-NE 3.91Å; D179-R206 PolarHBondContact OD1-NE 3.31Å; D179-R206 IonicContact OD1-NH2 2.78Å; D179-R206 PolarHBondContact OD1-NH2 3.23Å; D179-R206 IonicContact OD2-CZ 2.82Å; D179-R206 IonicContact OD2-NE 3.74Å; D179-R206 PolarHBondContact OD2-NE 3.33Å; D179-R206 IonicContact OD2-NH2 3.69Å; D179-R206 PolarHBondContact OD2-NH2 2.9Å; D179-F211 HydrophobicContact CB-CZ 4.45Å |
| 180 | L | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.4 | -172.5 | -65.3 | 176.5 | 0 | 0 | 0 | 111.8 | Q151 I152 T154 L157 T176 F188 V189 V201 | Q151-L180 PolarHBondContact NE2-O 3.04Å; I152-L180 HydrophobicContact CD1-CD2 4.06Å; I152-L180 HydrophobicContact CG1-CD2 3.5Å; T154-L180 HydrophobicContact CG2-CB 3.8Å; T154-L180 HydrophobicContact CG2-CD1 4.13Å; T154-L180 HydrophobicContact CG2-CD2 4.21Å; T154-L180 HydrophobicContact CG2-CG 4.25Å; L157-L180 HydrophobicContact CD1-CD2 3.83Å; T176-L180 HydrophobicContact CG2-CD2 4.02Å; T176-L180 HydrophobicContact CG2-CG 4.36Å; L180-F188 WeakPolarHBondContact O-CA 3.25Å; L180-F188 WeakPolarHBondContact O-CB 3.48Å; L180-V189 HydrophobicContact CB-CG2 4.06Å; L180-V189 PolarHBondContact O-N 3.13Å; L180-V189 VanDerWaalsContact O-N 3.13Å; L180-V201 HydrophobicContact CD1-CG2 4.4Å |
| 181 | Y | 93.7 | Very high | 89.2 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 145.8 | 169.1 | 75.2 | -70.9 | 0 | 0 | 0 | 111.6 | R142 Q151 I152 L153 T154 | R142-Y181 HydrophobicContact CG-CD1 4.23Å; R142-Y181 HydrophobicContact CG-CE1 3.87Å; R142-Y181 HydrophobicContact CG-CE2 4.41Å; Q151-Y181 HydrophobicContact CB-CD1 3.65Å; Q151-Y181 HydrophobicContact CB-CE1 4.24Å; Q151-Y181 HydrophobicContact CB-CG 4.44Å; I152-Y181 VanDerWaalsContact C-CD1 3.46Å; I152-Y181 VanDerWaalsContact C-CE1 3.4Å; I152-Y181 VanDerWaalsContact O-CD1 3.28Å; I152-Y181 WeakPolarHBondContact O-CD1 3.45Å; I152-Y181 PolarHBondContact O-N 2.99Å; L153-Y181 HydrophobicContact CB-CD1 4.45Å; L153-Y181 HydrophobicContact CB-CE1 3.74Å; L153-Y181 HydrophobicContact CB-CE2 4.39Å; L153-Y181 HydrophobicContact CD1-CD2 3.9Å; L153-Y181 HydrophobicContact CD1-CE1 4.3Å; L153-Y181 HydrophobicContact CD1-CE2 3.54Å; L153-Y181 HydrophobicContact CD1-CG 4.43Å; L153-Y181 HydrophobicContact CG-CE2 4.49Å; L153-Y181 VanDerWaalsContact N-CE1 3.29Å; T154-Y181 PolarHBondContact N-O 3.25Å; T154-Y181 PolarHBondContact OG1-O 3.33Å |
| 182 | P | 89.2 | Confident | 88.6 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -90.2 | -31.5 | -175.6 | 34.4 | -35.2 | 0 | 0 | 0 | 113.8 | L153 T154 W186 V189 | L153-P182 WeakPolarHBondContact CD1-O 3.23Å; T154-P182 WeakPolarHBondContact OG1-CA 3.45Å; P182-W186 HydrophobicContact CG-CB 3.6Å; P182-W186 HydrophobicContact CG-CD2 4.04Å; P182-W186 HydrophobicContact CG-CE3 4.18Å; P182-W186 HydrophobicContact CG-CG 3.8Å; P182-V189 HydrophobicContact CB-CG1 4.25Å; P182-V189 HydrophobicContact CG-CG1 3.78Å |
| 183 | K | 88.7 | Confident | 87.9 | Confident | 113 Ų | 113 | 39.9 Ų | 39.9 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -164.1 | 165.4 | 176.3 | 62.5 | -176.3 | 175.8 | -175.9 | 0 | 110.4 | S185 W186 | K183-S185 WeakPolarHBondContact CE-OG 3.3Å; K183-S185 PolarHBondContact O-N 2.9Å; K183-S185 VanDerWaalsContact O-N 3.13Å; K183-W186 HydrophobicContact CG-CB 4.41Å; K183-W186 HydrophobicContact CG-CG 4.1Å; K183-W186 PolarHBondContact O-N 3.32Å |
| 184 | D | 84.5 | Confident | 87.3 | Confident | 128 Ų | 128 | 41 Ų | 41 | 68% | 0.684 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.9 | -171.7 | -67.4 | -26.2 | 0 | 0 | 0 | 114.3 | R142 W186 | R142-D184 PolarHBondContact NH1-O 3.48Å; D184-W186 VanDerWaalsContact C-N 3.28Å; D184-W186 PolarHBondContact O-N 2.85Å |
| 185 | S | 82.7 | Confident | 86.4 | Confident | 98 Ų | 98 | 44.5 Ų | 44.5 | 69% | 0.685 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3.6 | -179.2 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | K183 | K183-S185 WeakPolarHBondContact CE-OG 3.3Å; K183-S185 PolarHBondContact O-N 2.9Å; K183-S185 VanDerWaalsContact O-N 3.13Å |
| 186 | W | 79 | Confident | 85.3 | Confident | 132 Ų | 132 | 48.4 Ų | 48.4 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | trans | -105.9 | 148.6 | -178.8 | -79.7 | 53.9 | 0 | 0 | 0 | 110.8 | R142 P182 K183 D184 | R142-W186 PolarHBondContact NH1-O 3.5Å; R142-W186 PolarHBondContact NH2-O 3.3Å; P182-W186 HydrophobicContact CG-CB 3.6Å; P182-W186 HydrophobicContact CG-CD2 4.04Å; P182-W186 HydrophobicContact CG-CE3 4.18Å; P182-W186 HydrophobicContact CG-CG 3.8Å; K183-W186 HydrophobicContact CG-CB 4.41Å; K183-W186 HydrophobicContact CG-CG 4.1Å; K183-W186 PolarHBondContact O-N 3.32Å; D184-W186 VanDerWaalsContact C-N 3.28Å; D184-W186 PolarHBondContact O-N 2.85Å | ||
| 187 | N | 78.8 | Confident | 84.7 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | trans | -72.6 | -53.9 | 178.5 | -74.1 | -31.2 | 0 | 0 | 0 | 111.6 | R142 N144 Q151 | R142-N187 PolarHBondContact NH2-O 3.31Å; N144-N187 PolarHBondContact ND2-O 3.41Å; Q151-N187 PolarHBondContact NE2-O 3.45Å; Q151-N187 PolarHBondContact OE1-O 3.17Å | ||
| 188 | F | 83.6 | Confident | 84.5 | Confident | 50 Ų | 50 | 52 Ų | 52 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | trans | -166.6 | 173 | 179.8 | 68.8 | -84.7 | 0 | 0 | 0 | 111.6 | L180 F190 R206 | L180-F188 WeakPolarHBondContact O-CA 3.25Å; L180-F188 WeakPolarHBondContact O-CB 3.48Å; F188-F190 HydrophobicContact CE2-CD2 4.16Å; F188-F190 AromaticContact CE2-CE2 3.79Å; F188-F190 HydrophobicContact CE2-CE2 3.79Å; F188-F190 HydrophobicContact CE2-CZ 4.06Å; F188-R206 VanDerWaalsContact CD2-CZ 3.45Å; F188-R206 VanDerWaalsContact CE2-CD 3.48Å | ||
| 189 | V | 79.4 | Confident | 84.5 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -137.3 | 152.3 | 161 | -71.1 | 0 | 0 | 0 | 0 | 109 | T154 L180 P182 G191 | T154-V189 HydrophobicContact CG2-CG2 3.83Å; L180-V189 HydrophobicContact CB-CG2 4.06Å; L180-V189 PolarHBondContact O-N 3.13Å; L180-V189 VanDerWaalsContact O-N 3.13Å; P182-V189 HydrophobicContact CB-CG1 4.25Å; P182-V189 HydrophobicContact CG-CG1 3.78Å; V189-G191 WeakPolarHBondContact CB-O 3.14Å; V189-G191 WeakPolarHBondContact CG2-O 3.38Å |
| 190 | F | 81.1 | Confident | 84.5 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -71.7 | -28.3 | 166.9 | -70 | -79.6 | 0 | 0 | 0 | 111.2 | F188 F202 S203 R206 Y207 | F188-F190 HydrophobicContact CE2-CD2 4.16Å; F188-F190 AromaticContact CE2-CE2 3.79Å; F188-F190 HydrophobicContact CE2-CE2 3.79Å; F188-F190 HydrophobicContact CE2-CZ 4.06Å; F190-F202 CarbonylContact O-C 3.44Å; F190-F202 WeakPolarHBondContact O-CA 3.47Å; F190-S203 PolarHBondContact O-N 2.75Å; F190-R206 HydrophobicContact CD1-CB 4.11Å; F190-R206 HydrophobicContact CE1-CB 3.56Å; F190-R206 HydrophobicContact CZ-CB 4.42Å; F190-Y207 HydrophobicContact CD1-CD1 4.43Å; F190-Y207 AromaticContact CD1-CE1 3.58Å; F190-Y207 HydrophobicContact CD1-CE1 3.58Å; F190-Y207 AromaticContact CD1-CZ 3.62Å; F190-Y207 WeakPolarHBondContact CD1-OH 3.33Å; F190-Y207 HydrophobicContact CE1-CD1 4.03Å; F190-Y207 AromaticContact CE1-CE1 3.4Å; F190-Y207 HydrophobicContact CE1-CE1 3.4Å; F190-Y207 AromaticContact CE1-CZ 3.96Å; F190-Y207 HydrophobicContact CZ-CE1 4.3Å |
| 191 | G | 82.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 165.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | V189 V201 | V189-G191 WeakPolarHBondContact CB-O 3.14Å; V189-G191 WeakPolarHBondContact CG2-O 3.38Å; G191-V201 CarbonylContact C-O 3.51Å; G191-V201 WeakPolarHBondContact CA-O 3.44Å |
| 192 | Q | 83.6 | Confident | 84.3 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 139.6 | 169.8 | -172.5 | 175.6 | -31.6 | 0 | 0 | 110.3 | T154 L158 G200 V201 | T154-Q192 HydrophobicContact CG2-CB 4.07Å; T154-Q192 PolarHBondContact OG1-OE1 3.16Å; L158-Q192 HydrophobicContact CD1-CB 4.49Å; L158-Q192 HydrophobicContact CD1-CG 4.05Å; Q192-G200 CarbonylContact O-C 3.6Å; Q192-G200 WeakPolarHBondContact O-CA 3.44Å; Q192-V201 PolarHBondContact N-O 2.74Å; Q192-V201 PolarHBondContact O-N 3.36Å |
| 193 | A | 82.7 | Confident | 84.5 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L195 M199 M261 | A193-L195 HydrophobicContact CB-CD2 3.73Å; A193-M199 CarbonylContact C-O 3.53Å; A193-M199 WeakPolarHBondContact CA-O 3.23Å; A193-M261 HydrophobicContact CB-CE 3.65Å |
| 194 | S | 82.7 | Confident | 84.6 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 98 | 160 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | D197 G198 M199 | S194-D197 PolarHBondContact O-N 3.25Å; S194-D197 WeakPolarHBondContact OG-CB 3.4Å; S194-D197 PolarHBondContact OG-OD2 3.19Å; S194-G198 PolarHBondContact O-N 2.81Å; S194-M199 PolarHBondContact N-O 2.85Å; S194-M199 PolarHBondContact O-N 3.43Å |
| 195 | L | 77.8 | Confident | 84.7 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 38% | 0.382 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -42.5 | -174.9 | -50.5 | -170.8 | 0 | 0 | 0 | 111.3 | K82 A193 D197 G198 H260 M261 | K82-L195 VanDerWaalsContact CE-O 3.26Å; K82-L195 WeakPolarHBondContact CE-O 3.4Å; K82-L195 PolarHBondContact NZ-O 3.14Å; A193-L195 HydrophobicContact CB-CD2 3.73Å; L195-D197 PolarHBondContact O-N 2.77Å; L195-G198 PolarHBondContact O-N 2.71Å; L195-H260 HydrophobicContact CD1-CB 4.33Å; L195-H260 HydrophobicContact CD2-CB 3.43Å; L195-H260 VanDerWaalsContact CD2-CB 3.43Å; L195-M261 HydrophobicContact CD2-CE 3.57Å |
| 196 | S | 72.8 | Confident | 85 | Confident | 82 Ų | 82 | 35.1 Ų | 35.1 | 57% | 0.573 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | K82 | K82-S196 WeakPolarHBondContact CE-O 3.2Å; K82-S196 PolarHBondContact NZ-O 3.26Å |
| 197 | D | 82.4 | Confident | 85.4 | Confident | 83 Ų | 83 | 29.2 Ų | 29.2 | 44% | 0.444 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -9.2 | -177.9 | -50.6 | -32.9 | 0 | 0 | 0 | 112.4 | K165 S194 L195 M199 | K165-D197 PolarHBondContact NZ-O 3.02Å; S194-D197 PolarHBondContact O-N 3.25Å; S194-D197 WeakPolarHBondContact OG-CB 3.4Å; S194-D197 PolarHBondContact OG-OD2 3.19Å; L195-D197 PolarHBondContact O-N 2.77Å; D197-M199 HydrophobicContact CB-CE 3.54Å; D197-M199 HydrophobicContact CB-CG 4.18Å; D197-M199 HydrophobicContact CB-SD 4.47Å |
| 198 | G | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 46.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K82 C171 I172 S194 L195 M261 | K82-G198 VanDerWaalsContact NZ-N 3.15Å; C171-G198 CarbonylContact C-O 3.56Å; C171-G198 WeakPolarHBondContact CA-O 3.46Å; C171-G198 VanDerWaalsContact CB-O 3.29Å; C171-G198 WeakPolarHBondContact CB-O 3.31Å; I172-G198 PolarHBondContact N-O 2.63Å; S194-G198 PolarHBondContact O-N 2.81Å; L195-G198 PolarHBondContact O-N 2.71Å; G198-M261 VanDerWaalsContact C-SD 3.51Å; G198-M261 VanDerWaalsContact CA-SD 3.6Å |
| 199 | M | 93.3 | Very high | 85.6 | Confident | 17 Ų | 17 | 27.4 Ų | 27.4 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142.6 | -179.1 | -55.8 | -171.2 | -70.5 | 0 | 0 | 110.3 | L158 L161 G162 I172 A193 S194 D197 | L158-M199 HydrophobicContact CD2-CB 4.11Å; L161-M199 HydrophobicContact CB-SD 4.3Å; G162-M199 WeakPolarHBondContact CA-SD 3.36Å; G162-M199 PolarHBondContact N-SD 3.42Å; I172-M199 HydrophobicContact CG2-CB 4.33Å; I172-M199 HydrophobicContact CG2-CG 3.83Å; I172-M199 CarbonylContact O-C 3.57Å; I172-M199 VanDerWaalsContact O-CA 3.28Å; I172-M199 WeakPolarHBondContact O-CA 3.49Å; A193-M199 CarbonylContact C-O 3.53Å; A193-M199 WeakPolarHBondContact CA-O 3.23Å; S194-M199 PolarHBondContact N-O 2.85Å; S194-M199 PolarHBondContact O-N 3.43Å; D197-M199 HydrophobicContact CB-CE 3.54Å; D197-M199 HydrophobicContact CB-CG 4.18Å; D197-M199 HydrophobicContact CB-SD 4.47Å |
| 200 | G | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L161 I172 V173 G174 Q192 | L161-G200 WeakPolarHBondContact CD1-O 3.4Å; I172-G200 PolarHBondContact O-N 3.03Å; V173-G200 CarbonylContact C-O 3.48Å; V173-G200 WeakPolarHBondContact CA-O 3.47Å; G174-G200 PolarHBondContact N-O 2.99Å; Q192-G200 CarbonylContact O-C 3.6Å; Q192-G200 WeakPolarHBondContact O-CA 3.44Å |
| 201 | V | 92.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 129.1 | 170.5 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | T154 L157 L158 L161 G174 L180 G191 Q192 | T154-V201 HydrophobicContact CG2-CG1 4.07Å; L157-V201 HydrophobicContact CB-CB 4.44Å; L157-V201 HydrophobicContact CB-CG1 4.26Å; L157-V201 HydrophobicContact CB-CG2 4.11Å; L157-V201 HydrophobicContact CD1-CG2 3.65Å; L158-V201 HydrophobicContact CD2-CG1 4.12Å; L158-V201 HydrophobicContact CG-CG1 4.12Å; L161-V201 HydrophobicContact CD1-CB 4.27Å; G174-V201 CarbonylContact O-C 3.59Å; G174-V201 VanDerWaalsContact O-CA 3.28Å; G174-V201 WeakPolarHBondContact O-CA 3.19Å; L180-V201 HydrophobicContact CD1-CG2 4.4Å; G191-V201 CarbonylContact C-O 3.51Å; G191-V201 WeakPolarHBondContact CA-O 3.44Å; Q192-V201 PolarHBondContact N-O 2.74Å; Q192-V201 PolarHBondContact O-N 3.36Å |
| 202 | F | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.5 | -174.1 | -22.6 | -66.9 | 0 | 0 | 0 | 111.1 | V173 G174 I175 T176 F190 T253 E257 | V173-F202 HydrophobicContact CB-CE2 3.64Å; V173-F202 HydrophobicContact CB-CZ 4.19Å; V173-F202 HydrophobicContact CG1-CE2 3.65Å; V173-F202 HydrophobicContact CG1-CZ 3.8Å; G174-F202 PolarHBondContact O-N 3.26Å; I175-F202 WeakPolarHBondContact CA-O 3.32Å; T176-F202 PolarHBondContact N-O 2.83Å; F190-F202 CarbonylContact O-C 3.44Å; F190-F202 WeakPolarHBondContact O-CA 3.47Å; F202-T253 HydrophobicContact CB-CG2 3.89Å; F202-T253 HydrophobicContact CG-CG2 4.37Å; F202-E257 HydrophobicContact CD1-CB 3.64Å; F202-E257 HydrophobicContact CD1-CG 3.33Å; F202-E257 HydrophobicContact CD2-CB 4.05Å; F202-E257 HydrophobicContact CD2-CG 4.18Å; F202-E257 HydrophobicContact CE1-CB 3.17Å; F202-E257 HydrophobicContact CE1-CG 3.42Å; F202-E257 VanDerWaalsContact CE1-CG 3.42Å; F202-E257 WeakPolarHBondContact CE1-OE2 3.46Å; F202-E257 HydrophobicContact CE2-CB 3.55Å; F202-E257 HydrophobicContact CE2-CG 4.18Å; F202-E257 HydrophobicContact CG-CB 4.09Å; F202-E257 HydrophobicContact CG-CG 3.77Å; F202-E257 HydrophobicContact CZ-CB 3.11Å; F202-E257 HydrophobicContact CZ-CG 3.86Å |
| 203 | S | 91.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.9 | -176.8 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | T176 I178 F190 A205 | T176-S203 VanDerWaalsContact O-CA 3.26Å; T176-S203 WeakPolarHBondContact O-CA 3.4Å; I178-S203 VanDerWaalsContact C-OG 3.29Å; I178-S203 WeakPolarHBondContact O-CB 3.49Å; I178-S203 PolarHBondContact O-OG 3.24Å; F190-S203 PolarHBondContact O-N 2.75Å; S203-A205 VanDerWaalsContact OG-CB 3.32Å; S203-A205 WeakPolarHBondContact OG-CB 3.45Å; S203-A205 PolarHBondContact OG-N 2.8Å; S203-A205 VanDerWaalsContact OG-N 3.12Å |
| 204 | F | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -96.2 | 1.5 | 174.6 | -47.5 | -48.7 | 0 | 0 | 0 | 112.6 | F99 Y109 L113 I175 T176 M177 R206 Y207 L246 S250 T253 | F99-F204 AromaticContact CE1-CD2 3.7Å; F99-F204 HydrophobicContact CE1-CD2 3.7Å; F99-F204 AromaticContact CE1-CE2 3.83Å; F99-F204 HydrophobicContact CE1-CE2 3.83Å; F99-F204 HydrophobicContact CZ-CD2 4.36Å; F99-F204 HydrophobicContact CZ-CE2 4.37Å; Y109-F204 HydrophobicContact CE1-CD2 4.33Å; Y109-F204 HydrophobicContact CE1-CE2 4.43Å; Y109-F204 WeakPolarHBondContact OH-CD2 3.41Å; L113-F204 HydrophobicContact CD1-CE2 3.66Å; L113-F204 HydrophobicContact CD1-CZ 3.97Å; I175-F204 HydrophobicContact CB-CE2 3.96Å; I175-F204 HydrophobicContact CB-CZ 4.23Å; I175-F204 HydrophobicContact CD1-CE2 4.32Å; I175-F204 HydrophobicContact CG2-CE2 4.18Å; I175-F204 HydrophobicContact CG2-CZ 3.93Å; T176-F204 PolarHBondContact O-N 2.77Å; M177-F204 HydrophobicContact CE-CB 4.04Å; M177-F204 HydrophobicContact CE-CD2 3.99Å; M177-F204 HydrophobicContact SD-CB 3.71Å; M177-F204 HydrophobicContact SD-CD2 4.38Å; F204-R206 PolarHBondContact O-N 3.02Å; F204-Y207 HydrophobicContact CB-CD2 4.05Å; F204-Y207 AromaticContact CD1-CD2 3.95Å; F204-Y207 HydrophobicContact CD1-CD2 3.95Å; F204-Y207 AromaticContact CD1-CE2 3.96Å; F204-Y207 HydrophobicContact CD1-CE2 3.96Å; F204-Y207 HydrophobicContact CG-CD2 4.48Å; F204-Y207 WeakPolarHBondContact O-CB 3.42Å; F204-Y207 PolarHBondContact O-N 3.29Å; F204-L246 HydrophobicContact CB-CD1 4.24Å; F204-S250 WeakPolarHBondContact CD1-OG 3.35Å; F204-S250 WeakPolarHBondContact CG-OG 3.26Å; F204-T253 HydrophobicContact CE1-CG2 4.33Å | ||
| 205 | A | 87.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -54.3 | -42 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M177 D179 S203 Y207 F211 | M177-A205 VanDerWaalsContact O-CB 3.24Å; M177-A205 WeakPolarHBondContact O-CB 3.23Å; D179-A205 HydrophobicContact CB-CB 4.15Å; S203-A205 VanDerWaalsContact OG-CB 3.32Å; S203-A205 WeakPolarHBondContact OG-CB 3.45Å; S203-A205 PolarHBondContact OG-N 2.8Å; S203-A205 VanDerWaalsContact OG-N 3.12Å; A205-Y207 PolarHBondContact O-N 2.86Å; A205-F211 HydrophobicContact CB-CE2 4.24Å; A205-F211 WeakPolarHBondContact O-CD2 3.48Å |
| 206 | R | 88.3 | Confident | 86.9 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -79.2 | -1.3 | -176.7 | -69.6 | -174.7 | 175.3 | -101.6 | -5.6 | 114.2 | D179 F188 F190 F204 D208 F211 Y212 | D179-R206 IonicContact OD1-CZ 3.66Å; D179-R206 IonicContact OD1-NE 3.91Å; D179-R206 PolarHBondContact OD1-NE 3.31Å; D179-R206 IonicContact OD1-NH2 2.78Å; D179-R206 PolarHBondContact OD1-NH2 3.23Å; D179-R206 IonicContact OD2-CZ 2.82Å; D179-R206 IonicContact OD2-NE 3.74Å; D179-R206 PolarHBondContact OD2-NE 3.33Å; D179-R206 IonicContact OD2-NH2 3.69Å; D179-R206 PolarHBondContact OD2-NH2 2.9Å; F188-R206 VanDerWaalsContact CD2-CZ 3.45Å; F188-R206 VanDerWaalsContact CE2-CD 3.48Å; F190-R206 HydrophobicContact CD1-CB 4.11Å; F190-R206 HydrophobicContact CE1-CB 3.56Å; F190-R206 HydrophobicContact CZ-CB 4.42Å; F204-R206 PolarHBondContact O-N 3.02Å; R206-D208 VanDerWaalsContact C-N 3.34Å; R206-F211 HydrophobicContact CG-CD1 4.13Å; R206-F211 HydrophobicContact CG-CD2 4.22Å; R206-F211 HydrophobicContact CG-CE1 3.71Å; R206-F211 HydrophobicContact CG-CE2 3.75Å; R206-F211 HydrophobicContact CG-CG 4.38Å; R206-F211 HydrophobicContact CG-CZ 3.48Å; R206-F211 VanDerWaalsContact CG-CZ 3.48Å; R206-Y212 PolarHBondContact NH1-OH 3.18Å |
| 207 | Y | 87.7 | Confident | 87.6 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -92.1 | 3.5 | 176.9 | -63 | -34.2 | 0 | 0 | 0 | 113.6 | F190 F204 A205 R249 T253 L280 | F190-Y207 HydrophobicContact CD1-CD1 4.43Å; F190-Y207 AromaticContact CD1-CE1 3.58Å; F190-Y207 HydrophobicContact CD1-CE1 3.58Å; F190-Y207 AromaticContact CD1-CZ 3.62Å; F190-Y207 WeakPolarHBondContact CD1-OH 3.33Å; F190-Y207 HydrophobicContact CE1-CD1 4.03Å; F190-Y207 AromaticContact CE1-CE1 3.4Å; F190-Y207 HydrophobicContact CE1-CE1 3.4Å; F190-Y207 AromaticContact CE1-CZ 3.96Å; F190-Y207 HydrophobicContact CZ-CE1 4.3Å; F204-Y207 HydrophobicContact CB-CD2 4.05Å; F204-Y207 AromaticContact CD1-CD2 3.95Å; F204-Y207 HydrophobicContact CD1-CD2 3.95Å; F204-Y207 AromaticContact CD1-CE2 3.96Å; F204-Y207 HydrophobicContact CD1-CE2 3.96Å; F204-Y207 HydrophobicContact CG-CD2 4.48Å; F204-Y207 WeakPolarHBondContact O-CB 3.42Å; F204-Y207 PolarHBondContact O-N 3.29Å; A205-Y207 PolarHBondContact O-N 2.86Å; Y207-R249 HydrophobicContact CD1-CB 3.98Å; Y207-R249 HydrophobicContact CD1-CG 4.26Å; Y207-R249 HydrophobicContact CD2-CB 3.73Å; Y207-R249 HydrophobicContact CE1-CB 4.4Å; Y207-R249 HydrophobicContact CE2-CB 4.21Å; Y207-R249 HydrophobicContact CG-CB 3.63Å; Y207-R249 HydrophobicContact CG-CG 4.28Å; Y207-R249 PolarHBondContact O-NH1 3.49Å; Y207-T253 HydrophobicContact CE2-CG2 4.44Å; Y207-T253 WeakPolarHBondContact CE2-OG1 3.47Å; Y207-T253 VanDerWaalsContact CZ-OG1 3.25Å; Y207-T253 PolarHBondContact OH-OG1 2.98Å; Y207-L280 HydrophobicContact CD1-CD1 3.42Å; Y207-L280 VanDerWaalsContact CD1-CD1 3.42Å; Y207-L280 HydrophobicContact CE1-CD1 3.64Å |
| 208 | D | 85.4 | Confident | 87.7 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -70.4 | 127.4 | 164.1 | -165.2 | -53.1 | 0 | 0 | 0 | 110.6 | R206 H210 F211 Y216 Y238 P240 | R206-D208 VanDerWaalsContact C-N 3.34Å; D208-H210 PolarHBondContact O-N 3.17Å; D208-H210 VanDerWaalsContact O-N 3.11Å; D208-H210 WeakPolarHBondContact OD1-CA 3.28Å; D208-H210 WeakPolarHBondContact OD1-CB 3.17Å; D208-H210 IonicContact OD1-CD2 3.96Å; D208-H210 IonicContact OD1-CG 3.93Å; D208-H210 PolarHBondContact OD1-N 3.38Å; D208-F211 HydrophobicContact CB-CB 4.25Å; D208-F211 VanDerWaalsContact O-CB 3.28Å; D208-F211 WeakPolarHBondContact O-CB 3.36Å; D208-F211 PolarHBondContact O-N 3.31Å; D208-Y216 HydrophobicContact CB-CE2 3.94Å; D208-Y216 WeakPolarHBondContact OD2-CE2 3.41Å; D208-Y238 WeakPolarHBondContact OD2-CE1 3.49Å; D208-Y238 PolarHBondContact OD2-OH 3.39Å; D208-P240 HydrophobicContact CB-CB 3.85Å; D208-P240 WeakPolarHBondContact OD2-CB 3.22Å |
| 209 | D | 81.9 | Confident | 87.7 | Confident | 100 Ų | 100 | 46.7 Ų | 46.7 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.7 | 178.5 | -67.3 | -31.5 | 0 | 0 | 0 | 113 | R249 | D209-R249 IonicContact OD1-CZ 2.64Å; D209-R249 IonicContact OD1-NH1 3.39Å; D209-R249 PolarHBondContact OD1-NH1 2.92Å; D209-R249 IonicContact OD1-NH2 2.71Å; D209-R249 PolarHBondContact OD1-NH2 2.83Å |
| 210 | H | 85.3 | Confident | 87.4 | Confident | 124 Ų | 124 | 47.5 Ų | 47.5 | 57% | 0.574 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 3.4 | 177.6 | -58.8 | -50.7 | 0 | 0 | 0 | 113.5 | D208 Y212 S213 Y216 | D208-H210 PolarHBondContact O-N 3.17Å; D208-H210 VanDerWaalsContact O-N 3.11Å; D208-H210 WeakPolarHBondContact OD1-CA 3.28Å; D208-H210 WeakPolarHBondContact OD1-CB 3.17Å; D208-H210 IonicContact OD1-CD2 3.96Å; D208-H210 IonicContact OD1-CG 3.93Å; D208-H210 PolarHBondContact OD1-N 3.38Å; H210-Y212 VanDerWaalsContact C-N 3.25Å; H210-Y212 PolarHBondContact O-N 3.24Å; H210-Y212 VanDerWaalsContact O-N 3.12Å; H210-S213 WeakPolarHBondContact O-CB 3.36Å; H210-S213 PolarHBondContact O-N 3.32Å; H210-Y216 VanDerWaalsContact C-CD2 3.49Å; H210-Y216 HydrophobicContact CB-CD2 4.1Å; H210-Y216 WeakPolarHBondContact O-CB 3.35Å; H210-Y216 WeakPolarHBondContact O-CD2 3.38Å |
| 211 | F | 85.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -41.2 | -173.8 | -174.1 | -91 | 0 | 0 | 0 | 113.7 | N149 D179 A205 R206 D208 S213 Y216 | N149-F211 WeakPolarHBondContact ND2-CE2 3.49Å; N149-F211 WeakPolarHBondContact ND2-CZ 3.48Å; D179-F211 HydrophobicContact CB-CZ 4.45Å; A205-F211 HydrophobicContact CB-CE2 4.24Å; A205-F211 WeakPolarHBondContact O-CD2 3.48Å; R206-F211 HydrophobicContact CG-CD1 4.13Å; R206-F211 HydrophobicContact CG-CD2 4.22Å; R206-F211 HydrophobicContact CG-CE1 3.71Å; R206-F211 HydrophobicContact CG-CE2 3.75Å; R206-F211 HydrophobicContact CG-CG 4.38Å; R206-F211 HydrophobicContact CG-CZ 3.48Å; R206-F211 VanDerWaalsContact CG-CZ 3.48Å; D208-F211 HydrophobicContact CB-CB 4.25Å; D208-F211 VanDerWaalsContact O-CB 3.28Å; D208-F211 WeakPolarHBondContact O-CB 3.36Å; D208-F211 PolarHBondContact O-N 3.31Å; F211-S213 VanDerWaalsContact C-N 3.35Å; F211-Y216 AromaticContact CD2-CE1 3.78Å; F211-Y216 HydrophobicContact CD2-CE1 3.78Å; F211-Y216 AromaticContact CD2-CZ 3.84Å; F211-Y216 HydrophobicContact CE2-CE1 4.23Å |
| 212 | Y | 83.6 | Confident | 85.6 | Confident | 130 Ų | 130 | 65.2 Ų | 65.2 | 51% | 0.51 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 0.7 | -179.4 | -60.4 | -74.4 | 0 | 0 | 0 | 113.8 | R206 H210 | R206-Y212 PolarHBondContact NH1-OH 3.18Å; H210-Y212 VanDerWaalsContact C-N 3.25Å; H210-Y212 PolarHBondContact O-N 3.24Å; H210-Y212 VanDerWaalsContact O-N 3.12Å |
| 213 | S | 86 | Confident | 84.4 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -69.4 | 142.8 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | H210 F211 N215 Y216 | H210-S213 WeakPolarHBondContact O-CB 3.36Å; H210-S213 PolarHBondContact O-N 3.32Å; F211-S213 VanDerWaalsContact C-N 3.35Å; S213-N215 PolarHBondContact O-N 3.15Å; S213-N215 VanDerWaalsContact O-N 3.15Å; S213-N215 PolarHBondContact OG-N 2.89Å; S213-Y216 VanDerWaalsContact O-CB 3.27Å; S213-Y216 WeakPolarHBondContact O-CB 3.38Å; S213-Y216 PolarHBondContact O-N 3.27Å |
| 214 | R | 84.2 | Confident | 83.6 | Confident | 215 Ų | 215 | 79 Ų | 79 | 81% | 0.811 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.3 | 172.6 | -70 | -176 | 178.3 | -177.6 | 0.4 | 112.5 | R219 | R214-R219 PolarHBondContact O-NH1 2.95Š|
| 215 | N | 84.9 | Confident | 82.8 | Confident | 149 Ų | 149 | 87.2 Ų | 87.2 | 80% | 0.797 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 15.2 | -178.9 | -61.7 | -22.2 | 0 | 0 | 0 | 112.6 | S213 A217 | S213-N215 PolarHBondContact O-N 3.15Å; S213-N215 VanDerWaalsContact O-N 3.15Å; S213-N215 PolarHBondContact OG-N 2.89Å; N215-A217 PolarHBondContact O-N 2.92Å |
| 216 | Y | 87.6 | Confident | 82.6 | Confident | 14 Ų | 14 | 89.3 Ų | 89.3 | 6% | 0.055 | 42% | 0.424 | C | S | . | . | trans | -56.7 | 128.5 | 178.5 | -178.3 | -118.9 | 0 | 0 | 0 | 111.3 | N149 D208 H210 F211 S213 G218 R219 Y238 | N149-Y216 WeakPolarHBondContact ND2-CE1 3.47Å; D208-Y216 HydrophobicContact CB-CE2 3.94Å; D208-Y216 WeakPolarHBondContact OD2-CE2 3.41Å; H210-Y216 VanDerWaalsContact C-CD2 3.49Å; H210-Y216 HydrophobicContact CB-CD2 4.1Å; H210-Y216 WeakPolarHBondContact O-CB 3.35Å; H210-Y216 WeakPolarHBondContact O-CD2 3.38Å; F211-Y216 AromaticContact CD2-CE1 3.78Å; F211-Y216 HydrophobicContact CD2-CE1 3.78Å; F211-Y216 AromaticContact CD2-CZ 3.84Å; F211-Y216 HydrophobicContact CE2-CE1 4.23Å; S213-Y216 VanDerWaalsContact O-CB 3.27Å; S213-Y216 WeakPolarHBondContact O-CB 3.38Å; S213-Y216 PolarHBondContact O-N 3.27Å; Y216-G218 PolarHBondContact O-N 2.9Å; Y216-R219 HydrophobicContact CD1-CG 4.13Å; Y216-R219 WeakPolarHBondContact O-CB 3.5Å; Y216-R219 WeakPolarHBondContact O-CG 3.28Å; Y216-R219 PolarHBondContact O-N 3.49Å; Y216-R219 VanDerWaalsContact O-N 3.15Å; Y216-Y238 HydrophobicContact CD2-CE1 4.37Å; Y216-Y238 HydrophobicContact CE1-CD1 4.28Å; Y216-Y238 AromaticContact CE2-CD1 3.94Å; Y216-Y238 HydrophobicContact CE2-CD1 3.94Å; Y216-Y238 AromaticContact CE2-CE1 3.44Å; Y216-Y238 HydrophobicContact CE2-CE1 3.44Å; Y216-Y238 VanDerWaalsContact CE2-CE1 3.44Å; Y216-Y238 AromaticContact CZ-CD1 3.63Å; Y216-Y238 AromaticContact CZ-CE1 3.58Å; Y216-Y238 WeakPolarHBondContact OH-CD1 3.46Å; Y216-Y238 WeakPolarHBondContact OH-CE1 3.36Å | ||
| 217 | A | 86 | Confident | 82.5 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113 | N215 R219 Y238 | N215-A217 PolarHBondContact O-N 2.92Å; A217-R219 VanDerWaalsContact C-N 3.29Å; A217-R219 PolarHBondContact O-N 3.25Å; A217-Y238 HydrophobicContact CB-CD1 4.16Å; A217-Y238 HydrophobicContact CB-CD2 3.42Å; A217-Y238 VanDerWaalsContact CB-CD2 3.42Å; A217-Y238 HydrophobicContact CB-CE1 4.22Å; A217-Y238 HydrophobicContact CB-CE2 3.5Å; A217-Y238 VanDerWaalsContact CB-CE2 3.5Å; A217-Y238 HydrophobicContact CB-CG 3.75Å |
| 218 | G | 85.9 | Confident | 82.6 | Confident | 20 Ų | 20 | 102.8 Ų | 102.8 | 21% | 0.206 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -4.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | N149 Y216 Y238 | N149-G218 PolarHBondContact OD1-O 2.76Å; Y216-G218 PolarHBondContact O-N 2.9Å; G218-Y238 VanDerWaalsContact CA-CB 3.49Å |
| 219 | R | 88.6 | Confident | 82.7 | Confident | 71 Ų | 71 | 104.9 Ų | 104.9 | 27% | 0.268 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -71.1 | 132.1 | 177.2 | -63.4 | -179.2 | 82.3 | -153 | 4.4 | 110.7 | S147 H148 N149 R214 Y216 A217 K221 | S147-R219 WeakPolarHBondContact O-CG 3.25Å; S147-R219 PolarHBondContact O-NE 3.25Å; S147-R219 VanDerWaalsContact O-NE 3.08Å; H148-R219 PolarHBondContact CD2-NH2 3.41Å; N149-R219 WeakPolarHBondContact OD1-CA 3.46Å; N149-R219 WeakPolarHBondContact OD1-CG 3.38Å; N149-R219 PolarHBondContact OD1-N 2.91Å; R214-R219 PolarHBondContact O-NH1 2.95Å; Y216-R219 HydrophobicContact CD1-CG 4.13Å; Y216-R219 WeakPolarHBondContact O-CB 3.5Å; Y216-R219 WeakPolarHBondContact O-CG 3.28Å; Y216-R219 PolarHBondContact O-N 3.49Å; Y216-R219 VanDerWaalsContact O-N 3.15Å; A217-R219 VanDerWaalsContact C-N 3.29Å; A217-R219 PolarHBondContact O-N 3.25Å; R219-K221 PolarHBondContact O-N 2.94Å; R219-K221 VanDerWaalsContact O-N 3.14Å |
| 220 | V | 86.6 | Confident | 83.2 | Confident | 34 Ų | 34 | 103.3 Ų | 103.3 | 21% | 0.206 | 50% | 0.495 | C | S | . | . | trans | -71.6 | 109.3 | 176 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | V143 H148 L150 K222 L224 | V143-V220 HydrophobicContact CG2-CG2 4.45Å; H148-V220 WeakPolarHBondContact O-CG2 3.29Å; H148-V220 PolarHBondContact O-N 2.92Å; L150-V220 HydrophobicContact CD2-CG2 4.5Å; L150-V220 HydrophobicContact CG-CG2 4.07Å; V220-K222 PolarHBondContact O-N 3.33Å; V220-L224 HydrophobicContact CG1-CB 3.88Å; V220-L224 HydrophobicContact CG1-CD1 4.12Å; V220-L224 HydrophobicContact CG1-CD2 4.27Å; V220-L224 HydrophobicContact CG1-CG 4.33Å | ||
| 221 | K | 75.2 | Confident | 83.5 | Confident | 198 Ų | 198 | 99.3 Ų | 99.3 | 86% | 0.861 | 48% | 0.476 | S | S | * | . | trans | -72.4 | -21 | -169.6 | -64.2 | -178.4 | -179 | 175.1 | 0 | 115.3 | R219 | R219-K221 PolarHBondContact O-N 2.94Å; R219-K221 VanDerWaalsContact O-N 3.14Å | ||
| 222 | K | 71.3 | Confident | 83.8 | Confident | 174 Ų | 174 | 101.8 Ų | 101.8 | 76% | 0.757 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -119.5 | 157.8 | -179.1 | -68 | -177.8 | 180 | 177.5 | 0 | 109.7 | V220 L224 | V220-K222 PolarHBondContact O-N 3.33Å; K222-L224 PolarHBondContact O-N 2.92Å |
| 223 | K | 68.2 | Low | 84.1 | Confident | 218 Ų | 218 | 97 Ų | 97 | 95% | 0.948 | 48% | 0.478 | S | S | * | . | trans | -62.7 | 87 | 165.6 | -77.9 | -174.2 | 177.3 | -179.1 | 0 | 108.5 | Q225 | K223-Q225 PolarHBondContact O-N 3.45Š| ||
| 224 | L | 73.4 | Confident | 84.3 | Confident | 75 Ų | 75 | 95.5 Ų | 95.5 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | trans | -71.1 | 118.4 | 174.4 | -136.6 | 78.8 | 0 | 0 | 0 | 107 | V220 K222 L226 V233 | V220-L224 HydrophobicContact CG1-CB 3.88Å; V220-L224 HydrophobicContact CG1-CD1 4.12Å; V220-L224 HydrophobicContact CG1-CD2 4.27Å; V220-L224 HydrophobicContact CG1-CG 4.33Å; K222-L224 PolarHBondContact O-N 2.92Å; L224-L226 HydrophobicContact CB-CD2 4.45Å; L224-L226 HydrophobicContact CD2-CD2 3.77Å; L224-L226 PolarHBondContact O-N 3.04Å; L224-V233 HydrophobicContact CD2-CB 4.01Å; L224-V233 HydrophobicContact CD2-CG1 3.65Å | ||
| 225 | Q | 75.1 | Confident | 84.4 | Confident | 171 Ų | 171 | 93 Ų | 93 | 80% | 0.799 | 46% | 0.462 | S | S | * | . | trans | -78.3 | 99.3 | 165.8 | -72.2 | -157.1 | -7.1 | 0 | 0 | 107.7 | K223 | K223-Q225 PolarHBondContact O-N 3.45Š| ||
| 226 | L | 83.6 | Confident | 84.2 | Confident | 49 Ų | 49 | 89.9 Ų | 89.9 | 26% | 0.257 | 47% | 0.466 | S | S | . | . | trans | -68.6 | 134.3 | 175.1 | -62 | -179.5 | 0 | 0 | 0 | 109.9 | F141 R142 V143 L150 L224 V233 | F141-L226 HydrophobicContact CD2-CD1 4.08Å; F141-L226 HydrophobicContact CD2-CD2 4.22Å; F141-L226 HydrophobicContact CE2-CB 4.25Å; F141-L226 HydrophobicContact CE2-CD1 4.41Å; F141-L226 HydrophobicContact CE2-CD2 3.97Å; F141-L226 HydrophobicContact CE2-CG 4.45Å; R142-L226 VanDerWaalsContact C-CD1 3.49Å; V143-L226 HydrophobicContact CB-CD1 4.45Å; V143-L226 HydrophobicContact CG2-CD1 3.69Å; V143-L226 HydrophobicContact CG2-CD2 4.26Å; V143-L226 HydrophobicContact CG2-CG 4.07Å; L150-L226 HydrophobicContact CD2-CD2 4.17Å; L224-L226 HydrophobicContact CB-CD2 4.45Å; L224-L226 HydrophobicContact CD2-CD2 3.77Å; L224-L226 PolarHBondContact O-N 3.04Å; L226-V233 HydrophobicContact CD2-CG1 4.07Å; L226-V233 HydrophobicContact CD2-CG2 4.5Å | ||
| 227 | R | 87.3 | Confident | 84.1 | Confident | 179 Ų | 179 | 91 Ų | 91 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | trans | -114.9 | 123.2 | 166.6 | -65.1 | -180 | -178.9 | -178 | 0.5 | 107.1 | F141 G229 D230 | F141-R227 WeakPolarHBondContact CZ-O 3.45Å; R227-G229 PolarHBondContact O-N 3.5Å; R227-D230 HydrophobicContact CB-CB 4.12Å; R227-D230 WeakPolarHBondContact O-CB 3.3Å; R227-D230 PolarHBondContact O-N 3.07Å | ||
| 228 | Q | 88.4 | Confident | 84.1 | Confident | 119 Ų | 119 | 92.1 Ų | 92.1 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 136.4 | 175.1 | -68.8 | -57.6 | -28.4 | 0 | 0 | 109.5 | F141 D230 | F141-Q228 PolarHBondContact O-NE2 3.39Å; Q228-D230 VanDerWaalsContact C-N 3.33Å |
| 229 | G | 88.1 | Confident | 84.1 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -12.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R227 Y231 | R227-G229 PolarHBondContact O-N 3.5Å; G229-Y231 VanDerWaalsContact O-CD2 3.29Å; G229-Y231 WeakPolarHBondContact O-CD2 3.42Å; G229-Y231 PolarHBondContact O-N 2.73Å |
| 230 | D | 92.4 | Very high | 83.9 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | trans | -88.9 | 84.9 | 172.4 | -175.3 | 4.2 | 0 | 0 | 0 | 111.1 | F141 R227 Q228 S232 | F141-D230 WeakPolarHBondContact CZ-O 3.48Å; R227-D230 HydrophobicContact CB-CB 4.12Å; R227-D230 WeakPolarHBondContact O-CB 3.3Å; R227-D230 PolarHBondContact O-N 3.07Å; Q228-D230 VanDerWaalsContact C-N 3.33Å; D230-S232 PolarHBondContact O-N 2.91Å; D230-S232 VanDerWaalsContact OD1-CB 3.29Å; D230-S232 WeakPolarHBondContact OD1-CB 3.37Å; D230-S232 PolarHBondContact OD1-N 3.25Å; D230-S232 PolarHBondContact OD1-OG 3.22Å | ||
| 231 | Y | 92.6 | Very high | 83.8 | Confident | 40 Ų | 40 | 91.3 Ų | 91.3 | 16% | 0.157 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -79.2 | 1.5 | -179.3 | -64.7 | -83.4 | 0 | 0 | 0 | 114 | V134 S135 G138 C139 F141 G229 V233 F234 | V134-Y231 HydrophobicContact CB-CD1 4.28Å; V134-Y231 HydrophobicContact CG1-CD1 3.86Å; V134-Y231 HydrophobicContact CG1-CE1 4.07Å; S135-Y231 VanDerWaalsContact CA-CG 3.48Å; G138-Y231 VanDerWaalsContact CA-OH 3.27Å; G138-Y231 WeakPolarHBondContact CA-OH 3.39Å; G138-Y231 PolarHBondContact O-OH 2.81Å; C139-Y231 PolarHBondContact N-OH 3.14Å; C139-Y231 WeakPolarHBondContact O-CE1 3.36Å; C139-Y231 PolarHBondContact O-OH 2.64Å; F141-Y231 HydrophobicContact CD1-CD1 4.15Å; F141-Y231 AromaticContact CD1-CE1 3.72Å; F141-Y231 HydrophobicContact CD1-CE1 3.72Å; F141-Y231 AromaticContact CE1-CD1 3.82Å; F141-Y231 HydrophobicContact CE1-CD1 3.82Å; F141-Y231 AromaticContact CE1-CE1 3.6Å; F141-Y231 HydrophobicContact CE1-CE1 3.6Å; F141-Y231 HydrophobicContact CE1-CG 4.4Å; G229-Y231 VanDerWaalsContact O-CD2 3.29Å; G229-Y231 WeakPolarHBondContact O-CD2 3.42Å; G229-Y231 PolarHBondContact O-N 2.73Å; Y231-V233 PolarHBondContact O-N 3.07Å; Y231-V233 VanDerWaalsContact O-N 3.11Å; Y231-F234 AromaticContact CD1-CD2 3.98Å; Y231-F234 HydrophobicContact CD1-CD2 3.98Å; Y231-F234 AromaticContact CD1-CE2 3.99Å; Y231-F234 HydrophobicContact CD1-CE2 3.99Å; Y231-F234 PolarHBondContact O-N 2.87Å |
| 232 | S | 91 | Very high | 84.4 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -60.2 | -22.3 | 175.1 | 69 | 0 | 0 | 0 | 0 | 112.2 | D230 F234 Q235 | D230-S232 PolarHBondContact O-N 2.91Å; D230-S232 VanDerWaalsContact OD1-CB 3.29Å; D230-S232 WeakPolarHBondContact OD1-CB 3.37Å; D230-S232 PolarHBondContact OD1-N 3.25Å; D230-S232 PolarHBondContact OD1-OG 3.22Å; S232-F234 PolarHBondContact O-N 3.31Å; S232-F234 VanDerWaalsContact O-N 3.12Å; S232-Q235 WeakPolarHBondContact O-CB 3.4Å; S232-Q235 WeakPolarHBondContact O-CG 3.47Å; S232-Q235 PolarHBondContact O-N 3.25Å |
| 233 | V | 89.3 | Confident | 85.3 | Confident | 30 Ų | 30 | 78 Ų | 78 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -60.6 | -18.5 | 174.1 | -55.3 | 0 | 0 | 0 | 0 | 113.8 | F141 L150 L224 L226 Y231 | F141-V233 HydrophobicContact CD2-CG2 4.26Å; F141-V233 HydrophobicContact CE2-CG2 3.84Å; F141-V233 HydrophobicContact CZ-CG2 4.24Å; L150-V233 HydrophobicContact CD1-CG2 4.49Å; L150-V233 WeakPolarHBondContact CD1-O 3.35Å; L150-V233 HydrophobicContact CD2-CG2 4.37Å; L224-V233 HydrophobicContact CD2-CB 4.01Å; L224-V233 HydrophobicContact CD2-CG1 3.65Å; L226-V233 HydrophobicContact CD2-CG1 4.07Å; L226-V233 HydrophobicContact CD2-CG2 4.5Å; Y231-V233 PolarHBondContact O-N 3.07Å; Y231-V233 VanDerWaalsContact O-N 3.11Å |
| 234 | F | 90.1 | Very high | 86.5 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -96.8 | 9 | 175.1 | -61.6 | -77.5 | 0 | 0 | 0 | 113 | V134 F141 L150 I152 I178 Y231 S232 G236 Y237 | V134-F234 HydrophobicContact CB-CB 4.41Å; V134-F234 HydrophobicContact CB-CD2 4.02Å; V134-F234 HydrophobicContact CB-CE2 4.46Å; V134-F234 HydrophobicContact CB-CG 4.11Å; V134-F234 HydrophobicContact CG1-CD1 4.46Å; V134-F234 HydrophobicContact CG1-CD2 3.79Å; V134-F234 HydrophobicContact CG1-CE1 4.4Å; V134-F234 HydrophobicContact CG1-CE2 3.72Å; V134-F234 HydrophobicContact CG1-CG 4.17Å; V134-F234 HydrophobicContact CG1-CZ 4.04Å; V134-F234 HydrophobicContact CG2-CB 4.1Å; V134-F234 HydrophobicContact CG2-CD1 4.1Å; V134-F234 HydrophobicContact CG2-CD2 4.35Å; V134-F234 HydrophobicContact CG2-CG 3.93Å; F141-F234 HydrophobicContact CB-CE2 4.06Å; F141-F234 HydrophobicContact CB-CZ 3.69Å; F141-F234 AromaticContact CD1-CE2 3.76Å; F141-F234 HydrophobicContact CD1-CE2 3.76Å; F141-F234 HydrophobicContact CD1-CZ 4.28Å; F141-F234 HydrophobicContact CD2-CE2 4.14Å; F141-F234 HydrophobicContact CD2-CZ 4.31Å; F141-F234 HydrophobicContact CE1-CE2 4.2Å; F141-F234 AromaticContact CG-CE2 3.73Å; F141-F234 HydrophobicContact CG-CE2 3.73Å; F141-F234 AromaticContact CG-CZ 3.86Å; F141-F234 HydrophobicContact CG-CZ 3.86Å; L150-F234 HydrophobicContact CB-CE1 3.93Å; L150-F234 HydrophobicContact CD1-CD1 3.92Å; L150-F234 HydrophobicContact CD1-CE1 3.87Å; L150-F234 HydrophobicContact CG-CE1 4.37Å; I152-F234 HydrophobicContact CG2-CE1 3.88Å; I152-F234 HydrophobicContact CG2-CE2 4.43Å; I152-F234 HydrophobicContact CG2-CZ 3.53Å; I178-F234 HydrophobicContact CD1-CD1 3.8Å; I178-F234 HydrophobicContact CD1-CE1 4Å; I178-F234 HydrophobicContact CG2-CE1 3.99Å; Y231-F234 AromaticContact CD1-CD2 3.98Å; Y231-F234 HydrophobicContact CD1-CD2 3.98Å; Y231-F234 AromaticContact CD1-CE2 3.99Å; Y231-F234 HydrophobicContact CD1-CE2 3.99Å; Y231-F234 PolarHBondContact O-N 2.87Å; S232-F234 PolarHBondContact O-N 3.31Å; S232-F234 VanDerWaalsContact O-N 3.12Å; F234-G236 PolarHBondContact O-N 2.93Å; F234-Y237 HydrophobicContact CB-CD1 3.93Å; F234-Y237 HydrophobicContact CB-CE1 4.36Å; F234-Y237 HydrophobicContact CD1-CD1 4.12Å; F234-Y237 WeakPolarHBondContact O-CD1 3.31Å |
| 235 | Q | 86.6 | Confident | 87.5 | Confident | 161 Ų | 161 | 67.1 Ų | 67.1 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 118.2 | 171.3 | -69 | -178.4 | -7.5 | 0 | 0 | 109.7 | S232 Y237 | S232-Q235 WeakPolarHBondContact O-CB 3.4Å; S232-Q235 WeakPolarHBondContact O-CG 3.47Å; S232-Q235 PolarHBondContact O-N 3.25Å; Q235-Y237 VanDerWaalsContact C-N 3.3Å; Q235-Y237 PolarHBondContact O-N 2.86Å |
| 236 | G | 81.6 | Confident | 88.3 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 87% | 0.866 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 31.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F234 | F234-G236 PolarHBondContact O-N 2.93Š|
| 237 | Y | 85.9 | Confident | 88.8 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | trans | -61.9 | 149.3 | 171.3 | 70.2 | -98.8 | 0 | 0 | 0 | 109.9 | G97 S98 M177 I178 F234 Q235 T239 | G97-Y237 WeakPolarHBondContact CA-OH 3.35Å; S98-Y237 WeakPolarHBondContact CA-OH 3.48Å; S98-Y237 PolarHBondContact N-OH 2.79Å; S98-Y237 PolarHBondContact O-OH 3.38Å; M177-Y237 HydrophobicContact CB-CE2 4.36Å; I178-Y237 HydrophobicContact CD1-CD1 4.33Å; I178-Y237 HydrophobicContact CD1-CE1 3.67Å; I178-Y237 HydrophobicContact CD1-CE2 4.2Å; I178-Y237 HydrophobicContact CG1-CD1 4.43Å; I178-Y237 HydrophobicContact CG1-CD2 4.08Å; I178-Y237 HydrophobicContact CG1-CE1 3.91Å; I178-Y237 HydrophobicContact CG1-CE2 3.5Å; I178-Y237 VanDerWaalsContact CG1-CE2 3.5Å; F234-Y237 HydrophobicContact CB-CD1 3.93Å; F234-Y237 HydrophobicContact CB-CE1 4.36Å; F234-Y237 HydrophobicContact CD1-CD1 4.12Å; F234-Y237 WeakPolarHBondContact O-CD1 3.31Å; Q235-Y237 VanDerWaalsContact C-N 3.3Å; Q235-Y237 PolarHBondContact O-N 2.86Å; Y237-T239 HydrophobicContact CD2-CG2 4.18Å; Y237-T239 HydrophobicContact CE2-CG2 3.68Å; Y237-T239 PolarHBondContact O-N 3.5Å | ||
| 238 | Y | 86.1 | Confident | 89.3 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | trans | -65.8 | 132.1 | -177.7 | 177.3 | -104.2 | 0 | 0 | 0 | 111.8 | D208 Y216 A217 G218 P241 | D208-Y238 WeakPolarHBondContact OD2-CE1 3.49Å; D208-Y238 PolarHBondContact OD2-OH 3.39Å; Y216-Y238 HydrophobicContact CD2-CE1 4.37Å; Y216-Y238 HydrophobicContact CE1-CD1 4.28Å; Y216-Y238 AromaticContact CE2-CD1 3.94Å; Y216-Y238 HydrophobicContact CE2-CD1 3.94Å; Y216-Y238 AromaticContact CE2-CE1 3.44Å; Y216-Y238 HydrophobicContact CE2-CE1 3.44Å; Y216-Y238 VanDerWaalsContact CE2-CE1 3.44Å; Y216-Y238 AromaticContact CZ-CD1 3.63Å; Y216-Y238 AromaticContact CZ-CE1 3.58Å; Y216-Y238 WeakPolarHBondContact OH-CD1 3.46Å; Y216-Y238 WeakPolarHBondContact OH-CE1 3.36Å; A217-Y238 HydrophobicContact CB-CD1 4.16Å; A217-Y238 HydrophobicContact CB-CD2 3.42Å; A217-Y238 VanDerWaalsContact CB-CD2 3.42Å; A217-Y238 HydrophobicContact CB-CE1 4.22Å; A217-Y238 HydrophobicContact CB-CE2 3.5Å; A217-Y238 VanDerWaalsContact CB-CE2 3.5Å; A217-Y238 HydrophobicContact CB-CG 3.75Å; G218-Y238 VanDerWaalsContact CA-CB 3.49Å; Y238-P241 WeakPolarHBondContact OH-CD 3.46Å | ||
| 239 | T | 85.8 | Confident | 89.6 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | trans | -114.6 | 136.6 | 168.8 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | S98 G100 M177 Y237 | S98-T239 WeakPolarHBondContact O-CG2 3.49Å; G100-T239 WeakPolarHBondContact CA-OG1 3.31Å; G100-T239 PolarHBondContact N-OG1 3.37Å; M177-T239 HydrophobicContact CB-CG2 4Å; M177-T239 HydrophobicContact CG-CG2 4.4Å; Y237-T239 HydrophobicContact CD2-CG2 4.18Å; Y237-T239 HydrophobicContact CE2-CG2 3.68Å; Y237-T239 PolarHBondContact O-N 3.5Å | ||
| 240 | P | 83.9 | Confident | 89.9 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | trans | -62.9 | 149.2 | 178.9 | 28.7 | -36.4 | 0 | 0 | 0 | 111.4 | M177 D208 L246 | M177-P240 HydrophobicContact CE-CG 4.4Å; M177-P240 HydrophobicContact SD-CG 3.6Å; D208-P240 HydrophobicContact CB-CB 3.85Å; D208-P240 WeakPolarHBondContact OD2-CB 3.22Å; P240-L246 HydrophobicContact CB-CD2 4.17Å; P240-L246 HydrophobicContact CG-CD2 3.88Å | ||
| 241 | P | 84.8 | Confident | 90.1 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 51% | 0.513 | 22% | 0.224 | S | C | . | . | trans | -62.5 | 143.3 | 173.3 | 27.5 | -34.6 | 0 | 0 | 0 | 110.8 | Y238 T243 L246 | Y238-P241 WeakPolarHBondContact OH-CD 3.46Å; P241-T243 HydrophobicContact CG-CG2 4.39Å; P241-T243 PolarHBondContact O-N 3.26Å; P241-T243 VanDerWaalsContact O-N 3.13Å; P241-L246 VanDerWaalsContact O-CD2 3.31Å; P241-L246 WeakPolarHBondContact O-CD2 3.4Å | ||
| 242 | I | 87.4 | Confident | 90.2 | Very high | 41 Ų | 41 | 37.2 Ų | 37.2 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | trans | -74.7 | 104.7 | 176.5 | -61.9 | 157.9 | 0 | 0 | 0 | 109 | Q105 Y109 W112 P342 | Q105-I242 HydrophobicContact CB-CD1 4.32Å; Y109-I242 HydrophobicContact CD2-CD1 4.49Å; Y109-I242 HydrophobicContact CD2-CG1 4.12Å; Y109-I242 HydrophobicContact CD2-CG2 3.68Å; Y109-I242 HydrophobicContact CE2-CG2 4.34Å; Y109-I242 HydrophobicContact CG-CD1 4.16Å; Y109-I242 HydrophobicContact CG-CG1 4.19Å; Y109-I242 HydrophobicContact CG-CG2 4.41Å; W112-I242 HydrophobicContact CZ3-CG2 4.13Å; I242-P342 HydrophobicContact CG2-CG 4.27Å | ||
| 243 | T | 90.8 | Very high | 90.3 | Very high | 53 Ų | 53 | 34.9 Ų | 34.9 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | trans | -115.2 | 165 | 175.9 | 67.8 | 0 | 0 | 0 | 0 | 110.7 | P241 T245 L246 L247 | P241-T243 HydrophobicContact CG-CG2 4.39Å; P241-T243 PolarHBondContact O-N 3.26Å; P241-T243 VanDerWaalsContact O-N 3.13Å; T243-T245 VanDerWaalsContact C-N 3.27Å; T243-T245 PolarHBondContact O-N 3.05Å; T243-L246 PolarHBondContact O-N 3.48Å; T243-L246 WeakPolarHBondContact OG1-CB 3.29Å; T243-L246 PolarHBondContact OG1-N 3.45Å; T243-L246 VanDerWaalsContact OG1-N 3.09Å; T243-L247 PolarHBondContact O-N 3.05Å | ||
| 244 | S | 93.4 | Very high | 90.5 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -34 | 174.6 | 45.4 | 0 | 0 | 0 | 0 | 113 | L247 L248 P342 E344 | S244-L247 PolarHBondContact O-N 3.38Å; S244-L248 WeakPolarHBondContact O-CB 3.12Å; S244-L248 PolarHBondContact O-N 2.73Å; S244-P342 WeakPolarHBondContact CA-O 3.09Å; S244-P342 VanDerWaalsContact CB-C 3.48Å; S244-P342 WeakPolarHBondContact CB-O 3.05Å; S244-E344 WeakPolarHBondContact CB-OE2 3.45Å; S244-E344 PolarHBondContact OG-OE2 2.92Å |
| 245 | T | 93.7 | Very high | 90.8 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 173.3 | -53 | 0 | 0 | 0 | 0 | 111.7 | T243 L248 R249 | T243-T245 VanDerWaalsContact C-N 3.27Å; T243-T245 PolarHBondContact O-N 3.05Å; T245-L248 PolarHBondContact O-N 2.83Å; T245-R249 WeakPolarHBondContact O-CB 3.27Å; T245-R249 WeakPolarHBondContact O-CG 3.33Å; T245-R249 PolarHBondContact O-N 3.39Å |
| 246 | L | 92.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 176.7 | -179.5 | 61.8 | 0 | 0 | 0 | 110.5 | M177 F204 P240 P241 T243 R249 S250 | M177-L246 HydrophobicContact CE-CD2 4.09Å; F204-L246 HydrophobicContact CB-CD1 4.24Å; P240-L246 HydrophobicContact CB-CD2 4.17Å; P240-L246 HydrophobicContact CG-CD2 3.88Å; P241-L246 VanDerWaalsContact O-CD2 3.31Å; P241-L246 WeakPolarHBondContact O-CD2 3.4Å; T243-L246 PolarHBondContact O-N 3.48Å; T243-L246 WeakPolarHBondContact OG1-CB 3.29Å; T243-L246 PolarHBondContact OG1-N 3.45Å; T243-L246 VanDerWaalsContact OG1-N 3.09Å; L246-R249 PolarHBondContact O-N 3.02Å; L246-S250 VanDerWaalsContact O-CB 3.31Å; L246-S250 WeakPolarHBondContact O-CB 3.16Å; L246-S250 PolarHBondContact O-N 3.16Å; L246-S250 PolarHBondContact O-OG 3.13Å |
| 247 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 177.5 | -176.2 | 58.5 | 0 | 0 | 0 | 111.4 | Y109 W112 L113 T243 S244 R249 S250 C251 W316 K341 P342 F346 | Y109-L247 HydrophobicContact CD2-CD1 4.1Å; Y109-L247 HydrophobicContact CE2-CB 4.41Å; Y109-L247 HydrophobicContact CE2-CD1 3.82Å; W112-L247 HydrophobicContact CB-CD1 4.43Å; W112-L247 HydrophobicContact CE3-CD2 4.25Å; L113-L247 HydrophobicContact CD2-CD1 3.98Å; L113-L247 HydrophobicContact CG-CD1 4.45Å; T243-L247 PolarHBondContact O-N 3.05Å; S244-L247 PolarHBondContact O-N 3.38Å; L247-R249 PolarHBondContact O-N 2.91Å; L247-S250 PolarHBondContact O-N 2.97Å; L247-C251 WeakPolarHBondContact O-CB 3.49Å; L247-C251 PolarHBondContact O-N 2.68Å; L247-C251 PolarHBondContact O-SG 2.83Å; L247-W316 HydrophobicContact CD1-CH2 4.48Å; L247-W316 HydrophobicContact CD2-CH2 4.01Å; L247-W316 HydrophobicContact CD2-CZ2 4.41Å; L247-W316 HydrophobicContact CG-CH2 4.21Å; L247-K341 HydrophobicContact CD2-CG 3.95Å; L247-P342 HydrophobicContact CD2-CG 4.35Å; L247-F346 HydrophobicContact CB-CE2 4.29Å; L247-F346 HydrophobicContact CD2-CE2 4.27Å; L247-F346 HydrophobicContact CD2-CZ 4.49Å; L247-F346 HydrophobicContact CG-CE2 4.07Å; L247-F346 HydrophobicContact CG-CZ 4.02Å |
| 248 | L | 96.4 | Very high | 92 | Very high | 24 Ų | 24 | 21.4 Ų | 21.4 | 13% | 0.126 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | 176.5 | 178.9 | 68.1 | 0 | 0 | 0 | 112.3 | S244 T245 S250 C251 K252 L288 A345 F346 | S244-L248 WeakPolarHBondContact O-CB 3.12Å; S244-L248 PolarHBondContact O-N 2.73Å; T245-L248 PolarHBondContact O-N 2.83Å; L248-S250 VanDerWaalsContact C-N 3.26Å; L248-S250 PolarHBondContact O-N 2.8Å; L248-C251 PolarHBondContact O-N 3.29Å; L248-K252 WeakPolarHBondContact O-CG 3.08Å; L248-K252 PolarHBondContact O-N 3.45Å; L248-L288 HydrophobicContact CD1-CB 4.43Å; L248-L288 HydrophobicContact CD1-CD1 4.01Å; L248-L288 HydrophobicContact CD1-CD2 3.89Å; L248-L288 HydrophobicContact CD1-CG 4.34Å; L248-A345 HydrophobicContact CB-CB 4.17Å; L248-A345 HydrophobicContact CD2-CB 3.96Å; L248-F346 VanDerWaalsContact CA-CZ 3.41Å; L248-F346 HydrophobicContact CB-CD2 4.32Å; L248-F346 HydrophobicContact CB-CE1 4.5Å; L248-F346 HydrophobicContact CB-CE2 3.78Å; L248-F346 HydrophobicContact CB-CZ 3.9Å; L248-F346 HydrophobicContact CD1-CD1 3.78Å; L248-F346 HydrophobicContact CD1-CD2 4.35Å; L248-F346 HydrophobicContact CD1-CE1 3.67Å; L248-F346 HydrophobicContact CD1-CE2 4.27Å; L248-F346 HydrophobicContact CD1-CG 4.14Å; L248-F346 HydrophobicContact CD1-CZ 3.95Å |
| 249 | R | 95 | Very high | 92.4 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 5% | 0.049 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -37.3 | 178.4 | -72.3 | 171.8 | 173.2 | 155.6 | 1.6 | 111.6 | Y207 D209 T245 L246 L247 K252 T253 D284 | Y207-R249 HydrophobicContact CD1-CB 3.98Å; Y207-R249 HydrophobicContact CD1-CG 4.26Å; Y207-R249 HydrophobicContact CD2-CB 3.73Å; Y207-R249 HydrophobicContact CE1-CB 4.4Å; Y207-R249 HydrophobicContact CE2-CB 4.21Å; Y207-R249 HydrophobicContact CG-CB 3.63Å; Y207-R249 HydrophobicContact CG-CG 4.28Å; Y207-R249 PolarHBondContact O-NH1 3.49Å; D209-R249 IonicContact OD1-CZ 2.64Å; D209-R249 IonicContact OD1-NH1 3.39Å; D209-R249 PolarHBondContact OD1-NH1 2.92Å; D209-R249 IonicContact OD1-NH2 2.71Å; D209-R249 PolarHBondContact OD1-NH2 2.83Å; T245-R249 WeakPolarHBondContact O-CB 3.27Å; T245-R249 WeakPolarHBondContact O-CG 3.33Å; T245-R249 PolarHBondContact O-N 3.39Å; L246-R249 PolarHBondContact O-N 3.02Å; L247-R249 PolarHBondContact O-N 2.91Å; R249-K252 PolarHBondContact O-N 3.19Å; R249-T253 WeakPolarHBondContact O-CB 3.45Å; R249-T253 PolarHBondContact O-N 2.69Å; R249-T253 PolarHBondContact O-OG1 2.98Å; R249-D284 IonicContact CZ-OD1 3.17Å; R249-D284 IonicContact CZ-OD2 3.89Å; R249-D284 IonicContact NE-OD1 3.87Å; R249-D284 PolarHBondContact NE-OD1 3.47Å; R249-D284 IonicContact NE-OD2 3.45Å; R249-D284 PolarHBondContact NE-OD2 3.42Å; R249-D284 IonicContact NH2-OD1 2.86Å; R249-D284 IonicContact NH2-OD2 3.97Å; R249-D284 PolarHBondContact NH2-OD2 2.95Å |
| 250 | S | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.5 | -42 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | Y109 F204 L246 L247 L248 T253 I254 | Y109-S250 WeakPolarHBondContact OH-CB 3.46Å; Y109-S250 PolarHBondContact OH-OG 3.39Å; F204-S250 WeakPolarHBondContact CD1-OG 3.35Å; F204-S250 WeakPolarHBondContact CG-OG 3.26Å; L246-S250 VanDerWaalsContact O-CB 3.31Å; L246-S250 WeakPolarHBondContact O-CB 3.16Å; L246-S250 PolarHBondContact O-N 3.16Å; L246-S250 PolarHBondContact O-OG 3.13Å; L247-S250 PolarHBondContact O-N 2.97Å; L248-S250 VanDerWaalsContact C-N 3.26Å; L248-S250 PolarHBondContact O-N 2.8Å; S250-T253 PolarHBondContact O-N 3.21Å; S250-I254 WeakPolarHBondContact O-CG2 3.32Å; S250-I254 PolarHBondContact O-N 3.38Å |
| 251 | C | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 171.6 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | Y116 L247 L248 T253 I254 T255 L288 F346 | Y116-C251 HydrophobicContact CD1-CB 3.72Å; Y116-C251 VanDerWaalsContact CD1-SG 3.56Å; Y116-C251 HydrophobicContact CD2-CB 4.25Å; Y116-C251 HydrophobicContact CE1-CB 3.44Å; Y116-C251 VanDerWaalsContact CE1-CB 3.44Å; Y116-C251 WeakPolarHBondContact CE1-O 3.14Å; Y116-C251 HydrophobicContact CE2-CB 4.01Å; Y116-C251 HydrophobicContact CG-CB 4.12Å; Y116-C251 VanDerWaalsContact CG-SG 3.53Å; L247-C251 WeakPolarHBondContact O-CB 3.49Å; L247-C251 PolarHBondContact O-N 2.68Å; L247-C251 PolarHBondContact O-SG 2.83Å; L248-C251 PolarHBondContact O-N 3.29Å; C251-T253 VanDerWaalsContact C-N 3.3Å; C251-T253 PolarHBondContact O-N 3.42Å; C251-I254 WeakPolarHBondContact O-CG2 3.28Å; C251-T255 VanDerWaalsContact O-CB 3.23Å; C251-T255 WeakPolarHBondContact O-CB 3.37Å; C251-T255 PolarHBondContact O-N 2.99Å; C251-T255 PolarHBondContact O-OG1 3.27Å; C251-T255 VanDerWaalsContact O-OG1 3.12Å; C251-L288 HydrophobicContact CB-CD1 3.95Å; C251-F346 HydrophobicContact CB-CE1 4.3Å; C251-F346 HydrophobicContact CB-CZ 4.31Å |
| 252 | K | 95.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 13.8 Ų | 13.8 | 6% | 0.057 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 173.7 | -74.1 | 179.4 | 173.5 | -178.7 | 0 | 111.8 | L248 R249 T255 H256 V273 S283 D284 R286 L288 | L248-K252 WeakPolarHBondContact O-CG 3.08Å; L248-K252 PolarHBondContact O-N 3.45Å; R249-K252 PolarHBondContact O-N 3.19Å; K252-T255 PolarHBondContact O-N 3.33Å; K252-H256 VanDerWaalsContact O-CB 3.31Å; K252-H256 WeakPolarHBondContact O-CB 3.11Å; K252-H256 PolarHBondContact O-N 3.5Å; K252-V273 HydrophobicContact CB-CG2 4.36Å; K252-S283 PolarHBondContact NZ-O 3.17Å; K252-D284 PolarHBondContact NZ-O 3.47Å; K252-R286 WeakPolarHBondContact CE-O 3.5Å; K252-R286 PolarHBondContact NZ-O 2.59Å; K252-L288 HydrophobicContact CB-CD1 4.35Å; K252-L288 HydrophobicContact CG-CD1 3.54Å |
| 253 | T | 92.7 | Very high | 94 | Very high | 6 Ų | 6 | 12.4 Ų | 12.4 | 4% | 0.037 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.9 | -50.8 | -176.1 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | F202 F204 Y207 R249 S250 C251 T255 H256 E257 | F202-T253 HydrophobicContact CB-CG2 3.89Å; F202-T253 HydrophobicContact CG-CG2 4.37Å; F204-T253 HydrophobicContact CE1-CG2 4.33Å; Y207-T253 HydrophobicContact CE2-CG2 4.44Å; Y207-T253 WeakPolarHBondContact CE2-OG1 3.47Å; Y207-T253 VanDerWaalsContact CZ-OG1 3.25Å; Y207-T253 PolarHBondContact OH-OG1 2.98Å; R249-T253 WeakPolarHBondContact O-CB 3.45Å; R249-T253 PolarHBondContact O-N 2.69Å; R249-T253 PolarHBondContact O-OG1 2.98Å; S250-T253 PolarHBondContact O-N 3.21Å; C251-T253 VanDerWaalsContact C-N 3.3Å; C251-T253 PolarHBondContact O-N 3.42Å; T253-T255 PolarHBondContact O-N 3.15Å; T253-H256 PolarHBondContact O-N 3.27Å; T253-E257 HydrophobicContact CG2-CG 4.16Å; T253-E257 WeakPolarHBondContact O-CB 3.42Å; T253-E257 WeakPolarHBondContact O-CG 3.48Å; T253-E257 PolarHBondContact O-N 2.77Å |
| 254 | I | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 179.2 | -164 | 168.4 | 0 | 0 | 0 | 110.9 | I93 Y116 C117 S250 C251 T258 | I93-I254 HydrophobicContact CD1-CD1 3.79Å; I93-I254 HydrophobicContact CG1-CD1 4.44Å; Y116-I254 HydrophobicContact CD1-CG2 4.04Å; Y116-I254 HydrophobicContact CE1-CG2 4.06Å; C117-I254 HydrophobicContact CB-CD1 4.1Å; S250-I254 WeakPolarHBondContact O-CG2 3.32Å; S250-I254 PolarHBondContact O-N 3.38Å; C251-I254 WeakPolarHBondContact O-CG2 3.28Å; I254-T258 WeakPolarHBondContact O-CB 3.36Å; I254-T258 PolarHBondContact O-N 2.91Å; I254-T258 PolarHBondContact O-OG1 2.71Å |
| 255 | T | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.7 | -52.8 | 173.2 | -77.5 | 0 | 0 | 0 | 0 | 112.4 | Y116 F120 C251 K252 T253 E257 G259 V273 | Y116-T255 VanDerWaalsContact CE1-OG1 3.24Å; Y116-T255 WeakPolarHBondContact CE1-OG1 3.21Å; Y116-T255 PolarHBondContact OH-OG1 3.08Å; F120-T255 HydrophobicContact CD1-CG2 4.1Å; F120-T255 HydrophobicContact CD2-CG2 4.19Å; F120-T255 WeakPolarHBondContact CD2-OG1 3.4Å; F120-T255 HydrophobicContact CE1-CG2 3.44Å; F120-T255 VanDerWaalsContact CE1-CG2 3.44Å; F120-T255 HydrophobicContact CE2-CG2 3.51Å; F120-T255 HydrophobicContact CG-CG2 4.45Å; F120-T255 HydrophobicContact CZ-CG2 3.09Å; C251-T255 VanDerWaalsContact O-CB 3.23Å; C251-T255 WeakPolarHBondContact O-CB 3.37Å; C251-T255 PolarHBondContact O-N 2.99Å; C251-T255 PolarHBondContact O-OG1 3.27Å; C251-T255 VanDerWaalsContact O-OG1 3.12Å; K252-T255 PolarHBondContact O-N 3.33Å; T253-T255 PolarHBondContact O-N 3.15Å; T255-E257 VanDerWaalsContact C-N 3.35Å; T255-E257 PolarHBondContact O-N 3.39Å; T255-G259 PolarHBondContact O-N 3.29Å; T255-V273 HydrophobicContact CG2-CB 4.18Å; T255-V273 HydrophobicContact CG2-CG1 3.51Å; T255-V273 HydrophobicContact CG2-CG2 3.64Å |
| 256 | H | 94 | Very high | 94.4 | Very high | 23 Ų | 23 | 13.9 Ų | 13.9 | 11% | 0.106 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -56.8 | -52 | -178.1 | -178.8 | 100.3 | 0 | 0 | 0 | 110.7 | K252 T253 G259 H260 H266 V273 M274 Q275 | K252-H256 VanDerWaalsContact O-CB 3.31Å; K252-H256 WeakPolarHBondContact O-CB 3.11Å; K252-H256 PolarHBondContact O-N 3.5Å; T253-H256 PolarHBondContact O-N 3.27Å; H256-G259 PolarHBondContact O-N 3.41Å; H256-H260 AromaticContact CD2-CD2 3.86Å; H256-H260 AromaticContact CD2-NE2 3.46Å; H256-H260 PolarHBondContact CD2-NE2 3.28Å; H256-H260 AromaticContact NE2-CD2 4Å; H256-H260 AromaticContact NE2-CE1 3.9Å; H256-H260 AromaticContact NE2-NE2 3.12Å; H256-H260 PolarHBondContact NE2-NE2 3.33Å; H256-H260 VanDerWaalsContact NE2-NE2 3.12Å; H256-H260 PolarHBondContact O-N 3.23Å; H256-H266 AromaticContact CE1-CD2 3.6Å; H256-H266 AromaticContact CE1-NE2 3.8Å; H256-H266 AromaticContact NE2-CD2 3.67Å; H256-H266 AromaticContact NE2-NE2 3.49Å; H256-H266 PolarHBondContact NE2-NE2 2.95Å; H256-V273 PolarHBondContact ND1-O 3.41Å; H256-M274 VanDerWaalsContact O-CE 3.25Å; H256-M274 WeakPolarHBondContact O-CE 3.41Å; H256-M274 VanDerWaalsContact O-SD 3.41Å; H256-Q275 PolarHBondContact CE1-O 3.49Å; H256-Q275 VanDerWaalsContact CE1-O 3.26Å |
| 257 | E | 90.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 13.9 Ų | 13.9 | 12% | 0.117 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -75.9 | -37.6 | -171 | -60.6 | -74.7 | 172.1 | 0 | 0 | 112.5 | F202 T253 T255 G259 H260 | F202-E257 HydrophobicContact CD1-CB 3.64Å; F202-E257 HydrophobicContact CD1-CG 3.33Å; F202-E257 HydrophobicContact CD2-CB 4.05Å; F202-E257 HydrophobicContact CD2-CG 4.18Å; F202-E257 HydrophobicContact CE1-CB 3.17Å; F202-E257 HydrophobicContact CE1-CG 3.42Å; F202-E257 VanDerWaalsContact CE1-CG 3.42Å; F202-E257 WeakPolarHBondContact CE1-OE2 3.46Å; F202-E257 HydrophobicContact CE2-CB 3.55Å; F202-E257 HydrophobicContact CE2-CG 4.18Å; F202-E257 HydrophobicContact CG-CB 4.09Å; F202-E257 HydrophobicContact CG-CG 3.77Å; F202-E257 HydrophobicContact CZ-CB 3.11Å; F202-E257 HydrophobicContact CZ-CG 3.86Å; T253-E257 HydrophobicContact CG2-CG 4.16Å; T253-E257 WeakPolarHBondContact O-CB 3.42Å; T253-E257 WeakPolarHBondContact O-CG 3.48Å; T253-E257 PolarHBondContact O-N 2.77Å; T255-E257 VanDerWaalsContact C-N 3.35Å; T255-E257 PolarHBondContact O-N 3.39Å; E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 3.45Å; E257-H260 WeakPolarHBondContact O-CB 3.47Å; E257-H260 PolarHBondContact O-N 2.82Å; E257-H260 IonicContact OE2-CD2 2.71Å |
| 258 | T | 93.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.7 | -32.3 | 172.1 | -54 | 0 | 0 | 0 | 0 | 110.6 | I91 F121 I254 H260 M261 F262 | I91-T258 HydrophobicContact CD1-CG2 3.91Å; F121-T258 HydrophobicContact CD1-CG2 4.39Å; F121-T258 HydrophobicContact CD2-CG2 3.9Å; F121-T258 HydrophobicContact CE1-CG2 4Å; F121-T258 VanDerWaalsContact CE2-CB 3.49Å; F121-T258 HydrophobicContact CE2-CG2 3.47Å; F121-T258 VanDerWaalsContact CE2-CG2 3.47Å; F121-T258 HydrophobicContact CG-CG2 4.36Å; F121-T258 VanDerWaalsContact CZ-CB 3.44Å; F121-T258 HydrophobicContact CZ-CG2 3.53Å; I254-T258 WeakPolarHBondContact O-CB 3.36Å; I254-T258 PolarHBondContact O-N 2.91Å; I254-T258 PolarHBondContact O-OG1 2.71Å; T258-H260 PolarHBondContact O-N 3.36Å; T258-M261 WeakPolarHBondContact O-CB 3.36Å; T258-M261 WeakPolarHBondContact O-CG 3.12Å; T258-M261 PolarHBondContact O-N 3.49Å; T258-F262 HydrophobicContact CG2-CE2 4.44Å; T258-F262 WeakPolarHBondContact O-CD2 3.41Å |
| 259 | G | 95.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.2 | -37.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T255 H256 E257 M261 F262 I264 | T255-G259 PolarHBondContact O-N 3.29Å; H256-G259 PolarHBondContact O-N 3.41Å; E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 3.45Å; G259-M261 PolarHBondContact O-N 2.86Å; G259-F262 PolarHBondContact O-N 2.68Å; G259-I264 WeakPolarHBondContact O-CB 3.47Å |
| 260 | H | 93.2 | Very high | 94.8 | Very high | 20 Ų | 20 | 14 Ų | 14 | 9% | 0.093 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.3 | -26.4 | 173.7 | -65.6 | -50.1 | 0 | 0 | 0 | 113.4 | L195 H256 E257 T258 F262 G263 I264 H266 M274 | L195-H260 HydrophobicContact CD1-CB 4.33Å; L195-H260 HydrophobicContact CD2-CB 3.43Å; L195-H260 VanDerWaalsContact CD2-CB 3.43Å; H256-H260 AromaticContact CD2-CD2 3.86Å; H256-H260 AromaticContact CD2-NE2 3.46Å; H256-H260 PolarHBondContact CD2-NE2 3.28Å; H256-H260 AromaticContact NE2-CD2 4Å; H256-H260 AromaticContact NE2-CE1 3.9Å; H256-H260 AromaticContact NE2-NE2 3.12Å; H256-H260 PolarHBondContact NE2-NE2 3.33Å; H256-H260 VanDerWaalsContact NE2-NE2 3.12Å; H256-H260 PolarHBondContact O-N 3.23Å; E257-H260 WeakPolarHBondContact O-CB 3.47Å; E257-H260 PolarHBondContact O-N 2.82Å; E257-H260 IonicContact OE2-CD2 2.71Å; T258-H260 PolarHBondContact O-N 3.36Å; H260-F262 PolarHBondContact O-N 3.34Å; H260-G263 PolarHBondContact O-N 2.78Å; H260-I264 PolarHBondContact ND1-O 3.36Å; H260-H266 AromaticContact CE1-CD2 3.75Å; H260-H266 AromaticContact NE2-CD2 3.94Å; H260-H266 AromaticContact NE2-NE2 3.82Å; H260-M274 WeakPolarHBondContact ND1-CE 3.31Å |
| 261 | M | 93.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -24.4 | 176.8 | -57 | -65.9 | 113.1 | 0 | 0 | 112.6 | K82 F170 C171 A193 L195 G198 T258 G259 G263 | K82-M261 WeakPolarHBondContact CB-O 3.36Å; F170-M261 HydrophobicContact CE1-CB 3.88Å; F170-M261 HydrophobicContact CZ-CB 4.39Å; C171-M261 HydrophobicContact CB-CB 4.06Å; C171-M261 HydrophobicContact CB-CG 3.7Å; C171-M261 HydrophobicContact CB-SD 3.84Å; A193-M261 HydrophobicContact CB-CE 3.65Å; L195-M261 HydrophobicContact CD2-CE 3.57Å; G198-M261 VanDerWaalsContact C-SD 3.51Å; G198-M261 VanDerWaalsContact CA-SD 3.6Å; T258-M261 WeakPolarHBondContact O-CB 3.36Å; T258-M261 WeakPolarHBondContact O-CG 3.12Å; T258-M261 PolarHBondContact O-N 3.49Å; G259-M261 PolarHBondContact O-N 2.86Å; M261-G263 VanDerWaalsContact C-N 3.3Å |
| 262 | F | 94.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.8 | 173.8 | -65.6 | -96.4 | 0 | 0 | 0 | 112.9 | F75 R81 K82 P84 F121 L124 F170 T258 G259 H260 I264 L298 A301 | F75-F262 VanDerWaalsContact CE2-O 3.31Å; F75-F262 WeakPolarHBondContact CE2-O 3.32Å; R81-F262 WeakPolarHBondContact CG-O 3.3Å; K82-F262 PolarHBondContact N-O 3.03Å; P84-F262 HydrophobicContact CG-CD1 4.46Å; P84-F262 HydrophobicContact CG-CE1 3.62Å; P84-F262 HydrophobicContact CG-CZ 4.26Å; F121-F262 HydrophobicContact CD1-CD2 4.46Å; F121-F262 AromaticContact CD1-CE2 3.47Å; F121-F262 HydrophobicContact CD1-CE2 3.47Å; F121-F262 VanDerWaalsContact CD1-CE2 3.47Å; F121-F262 AromaticContact CD1-CZ 3.81Å; F121-F262 HydrophobicContact CD1-CZ 3.81Å; F121-F262 HydrophobicContact CE1-CD2 4.22Å; F121-F262 AromaticContact CE1-CE2 3.59Å; F121-F262 HydrophobicContact CE1-CE2 3.59Å; F121-F262 HydrophobicContact CE1-CZ 4.37Å; F121-F262 HydrophobicContact CG-CE2 4.44Å; L124-F262 HydrophobicContact CD1-CZ 4.3Å; L124-F262 HydrophobicContact CD2-CZ 4Å; F170-F262 HydrophobicContact CD1-CZ 4.38Å; F170-F262 HydrophobicContact CE1-CD1 4.2Å; F170-F262 AromaticContact CE1-CD2 3.95Å; F170-F262 HydrophobicContact CE1-CD2 3.95Å; F170-F262 AromaticContact CE1-CE1 3.91Å; F170-F262 HydrophobicContact CE1-CE1 3.91Å; F170-F262 AromaticContact CE1-CE2 3.6Å; F170-F262 HydrophobicContact CE1-CE2 3.6Å; F170-F262 HydrophobicContact CE1-CG 4.23Å; F170-F262 AromaticContact CE1-CZ 3.59Å; F170-F262 HydrophobicContact CE1-CZ 3.59Å; F170-F262 AromaticContact CZ-CD1 3.75Å; F170-F262 HydrophobicContact CZ-CD1 3.75Å; F170-F262 HydrophobicContact CZ-CD2 4.14Å; F170-F262 AromaticContact CZ-CE1 3.77Å; F170-F262 HydrophobicContact CZ-CE1 3.77Å; F170-F262 HydrophobicContact CZ-CE2 4.13Å; F170-F262 AromaticContact CZ-CG 3.95Å; F170-F262 HydrophobicContact CZ-CG 3.95Å; F170-F262 AromaticContact CZ-CZ 3.95Å; F170-F262 HydrophobicContact CZ-CZ 3.95Å; T258-F262 HydrophobicContact CG2-CE2 4.44Å; T258-F262 WeakPolarHBondContact O-CD2 3.41Å; G259-F262 PolarHBondContact O-N 2.68Å; H260-F262 PolarHBondContact O-N 3.34Å; F262-I264 HydrophobicContact CB-CD1 4.32Å; F262-I264 HydrophobicContact CB-CG1 4.19Å; F262-L298 HydrophobicContact CD1-CD1 3.88Å; F262-L298 HydrophobicContact CD2-CD1 3.88Å; F262-L298 HydrophobicContact CE1-CD1 3.85Å; F262-L298 HydrophobicContact CE2-CD1 3.88Å; F262-L298 HydrophobicContact CG-CD1 3.88Å; F262-L298 HydrophobicContact CZ-CD1 3.87Å; F262-A301 HydrophobicContact CD1-CB 3.76Å; F262-A301 HydrophobicContact CE1-CB 4.44Å |
| 263 | G | 94.1 | Very high | 95 | Very high | 12 Ų | 12 | 15.3 Ų | 15.3 | 12% | 0.124 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 11.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q70 H260 M261 K265 | Q70-G263 PolarHBondContact NE2-O 2.89Å; H260-G263 PolarHBondContact O-N 2.78Å; M261-G263 VanDerWaalsContact C-N 3.3Å; G263-K265 PolarHBondContact O-N 2.71Å |
| 264 | I | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | trans | -74.9 | 120.6 | 175.7 | -56 | 174.5 | 0 | 0 | 0 | 108.2 | F75 G259 H260 F262 M274 K297 L298 | F75-I264 HydrophobicContact CD2-CG1 4.27Å; F75-I264 HydrophobicContact CE2-CG1 3.7Å; F75-I264 HydrophobicContact CZ-CG1 4.29Å; G259-I264 WeakPolarHBondContact O-CB 3.47Å; H260-I264 PolarHBondContact ND1-O 3.36Å; F262-I264 HydrophobicContact CB-CD1 4.32Å; F262-I264 HydrophobicContact CB-CG1 4.19Å; I264-M274 HydrophobicContact CB-CE 4.13Å; I264-M274 HydrophobicContact CG2-CB 4.46Å; I264-M274 HydrophobicContact CG2-CE 3.93Å; I264-M274 HydrophobicContact CG2-CG 4.01Å; I264-M274 HydrophobicContact CG2-SD 4.5Å; I264-K297 HydrophobicContact CD1-CB 4.28Å; I264-K297 HydrophobicContact CG1-CB 4.24Å; I264-K297 HydrophobicContact CG1-CD 4.44Å; I264-K297 HydrophobicContact CG2-CD 4.28Å; I264-L298 HydrophobicContact CD1-CB 4.07Å; I264-L298 HydrophobicContact CD1-CD1 4.41Å | ||
| 265 | K | 95.1 | Very high | 95.4 | Very high | 110 Ų | 110 | 15.1 Ų | 15.1 | 48% | 0.478 | 7% | 0.074 | S | C | . | . | trans | -83.9 | 174.5 | 175.8 | -67.2 | 178 | -176.5 | 175.9 | 0 | 111.5 | Q70 G263 C267 | Q70-K265 HydrophobicContact CB-CB 4.05Å; Q70-K265 HydrophobicContact CB-CD 4.24Å; Q70-K265 HydrophobicContact CG-CD 4.35Å; G263-K265 PolarHBondContact O-N 2.71Å; K265-C267 PolarHBondContact O-N 3.01Å | ||
| 266 | H | 95.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 15.1 Ų | 15.1 | 16% | 0.162 | 7% | 0.074 | C | C | . | . | trans | -52.1 | 132.9 | 172.5 | -70.3 | 144.7 | 0 | 0 | 0 | 111.9 | W61 E67 H256 H260 M274 G276 | W61-H266 AromaticContact CE2-CE1 3.67Å; W61-H266 AromaticContact CE2-ND1 3.69Å; W61-H266 AromaticContact CZ2-CE1 3.36Å; W61-H266 WeakPolarHBondContact CZ2-CE1 3.36Å; W61-H266 AromaticContact CZ2-ND1 3.65Å; W61-H266 AromaticContact NE1-CE1 3.88Å; W61-H266 AromaticContact NE1-ND1 3.44Å; W61-H266 PolarHBondContact NE1-ND1 3.42Å; E67-H266 IonicContact OE1-CE1 3.98Å; E67-H266 IonicContact OE1-CG 3.36Å; E67-H266 IonicContact OE1-ND1 3.34Å; E67-H266 PolarHBondContact OE1-ND1 3.35Å; E67-H266 WeakPolarHBondContact OE2-CB 3.49Å; E67-H266 IonicContact OE2-CG 3.57Å; E67-H266 IonicContact OE2-ND1 3.72Å; E67-H266 PolarHBondContact OE2-ND1 3.37Å; H256-H266 AromaticContact CE1-CD2 3.6Å; H256-H266 AromaticContact CE1-NE2 3.8Å; H256-H266 AromaticContact NE2-CD2 3.67Å; H256-H266 AromaticContact NE2-NE2 3.49Å; H256-H266 PolarHBondContact NE2-NE2 2.95Å; H260-H266 AromaticContact CE1-CD2 3.75Å; H260-H266 AromaticContact NE2-CD2 3.94Å; H260-H266 AromaticContact NE2-NE2 3.82Å; H266-M274 CarbonylContact C-O 3.55Å; H266-M274 WeakPolarHBondContact CA-O 3.18Å; H266-G276 PolarHBondContact CD2-N 3.26Å | ||
| 267 | C | 97.6 | Very high | 95 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.02 | 8% | 0.078 | C | C | . | . | trans | -80.6 | 132.1 | -179.4 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | K265 C272 M274 Q275 C294 | K265-C267 PolarHBondContact O-N 3.01Å; C267-C272 HydrophobicContact CB-CB 3.84Å; C267-M274 HydrophobicContact CB-CB 4.09Å; C267-M274 PolarHBondContact N-O 2.86Å; C267-Q275 HydrophobicContact CB-CG 4.05Å; C267-Q275 WeakPolarHBondContact O-CG 2.99Å; C267-C294 VanDerWaalsContact SG-SG 3.67Å | ||
| 268 | Q | 96.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 17.3 Ų | 17.3 | 11% | 0.107 | 9% | 0.089 | C | C | . | . | trans | -123 | 11.1 | 174.2 | -62.1 | -165.2 | 1.3 | 0 | 0 | 113.5 | H6 I53 E67 P69 | H6-Q268 PolarHBondContact NE2-O 2.85Å; I53-Q268 VanDerWaalsContact CD1-C 3.47Å; I53-Q268 WeakPolarHBondContact CD1-O 3.28Å; E67-Q268 VanDerWaalsContact C-NE2 3.31Å; E67-Q268 VanDerWaalsContact CB-NE2 3.31Å; E67-Q268 VanDerWaalsContact O-CD 3.23Å; E67-Q268 PolarHBondContact O-NE2 3.37Å; E67-Q268 PolarHBondContact O-OE1 2.87Å; P69-Q268 HydrophobicContact CB-CB 4.19Å; P69-Q268 HydrophobicContact CG-CB 4.12Å | ||
| 269 | W | 96.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 5% | 0.053 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -90.4 | -44 | -172.9 | -65.6 | 111.4 | 0 | 0 | 0 | 113.4 | H6 K10 L11 A14 P69 Q70 D71 I293 | H6-W269 PolarHBondContact CD2-O 3.34Å; K10-W269 HydrophobicContact CD-CZ3 4.05Å; K10-W269 HydrophobicContact CG-CH2 4.33Å; K10-W269 HydrophobicContact CG-CZ3 3.91Å; L11-W269 HydrophobicContact CD2-CE3 4.14Å; A14-W269 HydrophobicContact CB-CD2 3.97Å; A14-W269 HydrophobicContact CB-CE3 4.02Å; A14-W269 HydrophobicContact CB-CH2 3.58Å; A14-W269 HydrophobicContact CB-CZ2 3.53Å; A14-W269 HydrophobicContact CB-CZ3 3.83Å; P69-W269 HydrophobicContact CB-CD2 4.43Å; P69-W269 HydrophobicContact CB-CH2 4.15Å; P69-W269 HydrophobicContact CB-CZ2 3.53Å; Q70-W269 PolarHBondContact O-NE1 3.28Å; D71-W269 HydrophobicContact CB-CZ2 3.89Å; W269-I293 HydrophobicContact CB-CD1 3.58Å; W269-I293 HydrophobicContact CD2-CD1 3.84Å; W269-I293 HydrophobicContact CE3-CD1 4.4Å; W269-I293 HydrophobicContact CG-CD1 3.44Å; W269-I293 VanDerWaalsContact CG-CD1 3.44Å |
| 270 | M | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -165.9 | 180 | -178.6 | 65.2 | -169 | 74.5 | 0 | 0 | 109.4 | L11 G40 F50 Q51 C272 C291 P292 I293 | L11-M270 HydrophobicContact CD2-CE 3.82Å; G40-M270 VanDerWaalsContact O-CE 3.25Å; G40-M270 WeakPolarHBondContact O-CE 3.48Å; F50-M270 HydrophobicContact CB-SD 4.06Å; F50-M270 HydrophobicContact CG-SD 4.45Å; Q51-M270 WeakPolarHBondContact O-CB 3.37Å; M270-C272 PolarHBondContact O-N 2.63Å; M270-C291 HydrophobicContact CG-CB 3.25Å; M270-C291 HydrophobicContact SD-CB 3.65Å; M270-P292 VanDerWaalsContact SD-CD 3.56Å; M270-I293 HydrophobicContact CE-CD1 4.22Å |
| 271 | N | 96.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 23.9 Ų | 23.9 | 19% | 0.187 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -57.2 | 125.8 | 177.2 | -87.2 | -4.9 | 0 | 0 | 0 | 111 | Q51 P52 Q275 P287 | Q51-N271 HydrophobicContact CB-CB 4.3Å; Q51-N271 WeakPolarHBondContact O-CB 3.34Å; Q51-N271 PolarHBondContact O-N 3.09Å; P52-N271 PolarHBondContact O-ND2 3.46Å; P52-N271 PolarHBondContact O-OD1 2.8Å; N271-Q275 VanDerWaalsContact CA-OE1 3.29Å; N271-P287 HydrophobicContact CB-CG 4.27Å |
| 272 | C | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -159.1 | 145.2 | -172.3 | -176.2 | 0 | 0 | 0 | 0 | 110 | C267 M270 M274 Q275 C291 | C267-C272 HydrophobicContact CB-CB 3.84Å; M270-C272 PolarHBondContact O-N 2.63Å; C272-M274 PolarHBondContact O-N 3.12Å; C272-M274 PolarHBondContact SG-N 3.01Å; C272-M274 VanDerWaalsContact SG-N 3.41Å; C272-Q275 HydrophobicContact CB-CG 4.1Å; C272-Q275 WeakPolarHBondContact O-CB 3.4Å; C272-Q275 VanDerWaalsContact O-CG 3.23Å; C272-Q275 WeakPolarHBondContact O-CG 3.29Å; C272-Q275 PolarHBondContact O-N 2.82Å; C272-Q275 VanDerWaalsContact O-N 3.14Å; C272-Q275 PolarHBondContact O-OE1 2.76Å; C272-C291 HydrophobicContact CB-CB 3.92Å; C272-C291 PolarHBondContact SG-N 2.62Å; C272-C291 VanDerWaalsContact SG-N 3.39Å | ||
| 273 | V | 97.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 4% | 0.036 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.9 | 172.4 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | F120 K252 T255 H256 Q275 P287 D289 L290 | F120-V273 HydrophobicContact CZ-CG1 4.36Å; K252-V273 HydrophobicContact CB-CG2 4.36Å; T255-V273 HydrophobicContact CG2-CB 4.18Å; T255-V273 HydrophobicContact CG2-CG1 3.51Å; T255-V273 HydrophobicContact CG2-CG2 3.64Å; H256-V273 PolarHBondContact ND1-O 3.41Å; V273-Q275 PolarHBondContact O-N 2.73Å; V273-P287 WeakPolarHBondContact CB-O 3.46Å; V273-D289 PolarHBondContact N-O 2.96Å; V273-L290 HydrophobicContact CG1-CD2 3.63Å; V273-L290 HydrophobicContact CG1-CG 4.19Å |
| 274 | M | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 8.6 | 177 | -63.5 | -59.8 | -52.5 | 0 | 0 | 113.7 | H256 H260 I264 H266 C267 C272 L290 C294 | H256-M274 VanDerWaalsContact O-CE 3.25Å; H256-M274 WeakPolarHBondContact O-CE 3.41Å; H256-M274 VanDerWaalsContact O-SD 3.41Å; H260-M274 WeakPolarHBondContact ND1-CE 3.31Å; I264-M274 HydrophobicContact CB-CE 4.13Å; I264-M274 HydrophobicContact CG2-CB 4.46Å; I264-M274 HydrophobicContact CG2-CE 3.93Å; I264-M274 HydrophobicContact CG2-CG 4.01Å; I264-M274 HydrophobicContact CG2-SD 4.5Å; H266-M274 CarbonylContact C-O 3.55Å; H266-M274 WeakPolarHBondContact CA-O 3.18Å; C267-M274 HydrophobicContact CB-CB 4.09Å; C267-M274 PolarHBondContact N-O 2.86Å; C272-M274 PolarHBondContact O-N 3.12Å; C272-M274 PolarHBondContact SG-N 3.01Å; C272-M274 VanDerWaalsContact SG-N 3.41Å; M274-L290 HydrophobicContact CG-CD2 3.46Å; M274-L290 VanDerWaalsContact CG-CD2 3.46Å; M274-L290 HydrophobicContact SD-CD2 4.39Å; M274-C294 HydrophobicContact CG-CB 4.5Å |
| 275 | Q | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -74.9 | 136.1 | 175.2 | -66.8 | -178.2 | -79.6 | 0 | 0 | 110.7 | I53 H256 C267 N271 C272 V273 | I53-Q275 VanDerWaalsContact CD1-NE2 3.34Å; H256-Q275 PolarHBondContact CE1-O 3.49Å; H256-Q275 VanDerWaalsContact CE1-O 3.26Å; C267-Q275 HydrophobicContact CB-CG 4.05Å; C267-Q275 WeakPolarHBondContact O-CG 2.99Å; N271-Q275 VanDerWaalsContact CA-OE1 3.29Å; C272-Q275 HydrophobicContact CB-CG 4.1Å; C272-Q275 WeakPolarHBondContact O-CB 3.4Å; C272-Q275 VanDerWaalsContact O-CG 3.23Å; C272-Q275 WeakPolarHBondContact O-CG 3.29Å; C272-Q275 PolarHBondContact O-N 2.82Å; C272-Q275 VanDerWaalsContact O-N 3.14Å; C272-Q275 PolarHBondContact O-OE1 2.76Å; V273-Q275 PolarHBondContact O-N 2.73Å |
| 276 | G | 92.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | -60.1 | 151.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | W61 H266 | W61-G276 VanDerWaalsContact CB-C 3.48Å; W61-G276 WeakPolarHBondContact CB-O 3.34Å; W61-G276 VanDerWaalsContact CG-C 3.46Å; H266-G276 PolarHBondContact CD2-N 3.26Å | ||
| 277 | S | 90.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 26.4 Ų | 26.4 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | trans | -141.3 | 133 | 179.5 | -62 | 0 | 0 | 0 | 0 | 110.3 | E282 | S277-E282 WeakPolarHBondContact CA-OE2 3.39Š| ||
| 278 | N | 85.7 | Confident | 93.3 | Very high | 66 Ų | 66 | 26.4 Ų | 26.4 | 35% | 0.353 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -92.9 | -23.1 | -179.6 | -164.2 | 35.2 | 0 | 0 | 0 | 112.1 | S59 W61 E282 | S59-N278 WeakPolarHBondContact O-CB 3.37Å; S59-N278 PolarHBondContact O-ND2 3.21Å; W61-N278 HydrophobicContact CE3-CB 4.37Å; N278-E282 PolarHBondContact N-OE2 3.32Å |
| 279 | H | 84.5 | Confident | 93.3 | Very high | 42 Ų | 42 | 25.6 Ų | 25.6 | 19% | 0.194 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -150.3 | 169.4 | -179.4 | 60.2 | 93.6 | 0 | 0 | 0 | 112.3 | D60 E281 E282 S283 | D60-H279 IonicContact OD1-NE2 3.25Å; H279-E281 IonicContact CE1-OE2 3.45Å; H279-E281 IonicContact CG-OE2 3.24Å; H279-E281 IonicContact ND1-OE2 3.44Å; H279-E281 PolarHBondContact ND1-OE2 3.18Å; H279-E281 PolarHBondContact O-N 3.12Å; H279-E282 PolarHBondContact ND1-N 2.65Å; H279-E282 WeakPolarHBondContact O-CB 3.25Å; H279-E282 PolarHBondContact O-N 3.05Å; H279-S283 PolarHBondContact O-N 2.69Å; H279-S283 VanDerWaalsContact O-N 3.15Å |
| 280 | L | 85.8 | Confident | 93.4 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | -170.6 | 180 | 54.9 | 0 | 0 | 0 | 112.6 | Y207 E282 S283 D284 | Y207-L280 HydrophobicContact CD1-CD1 3.42Å; Y207-L280 VanDerWaalsContact CD1-CD1 3.42Å; Y207-L280 HydrophobicContact CE1-CD1 3.64Å; L280-E282 PolarHBondContact O-N 3.28Å; L280-S283 CarbonylContact O-C 3.59Å; L280-S283 WeakPolarHBondContact O-CB 3.24Å; L280-S283 PolarHBondContact O-N 2.8Å; L280-S283 VanDerWaalsContact O-N 3.08Å; L280-D284 PolarHBondContact O-N 3Å |
| 281 | E | 90.2 | Very high | 93.5 | Very high | 107 Ų | 107 | 25 Ų | 25 | 50% | 0.5 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63 | -31.5 | -179.2 | -56.7 | 76.1 | -171 | 0 | 0 | 111.2 | H279 R285 | H279-E281 IonicContact CE1-OE2 3.45Å; H279-E281 IonicContact CG-OE2 3.24Å; H279-E281 IonicContact ND1-OE2 3.44Å; H279-E281 PolarHBondContact ND1-OE2 3.18Å; H279-E281 PolarHBondContact O-N 3.12Å; E281-R285 WeakPolarHBondContact O-CG 3.44Å; E281-R285 PolarHBondContact O-N 3.49Å; E281-R285 PolarHBondContact O-NH1 3.05Å |
| 282 | E | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.5 | -46.6 | 172.8 | -174.9 | 179.1 | -163.9 | 0 | 0 | 111.5 | D60 W61 S277 N278 H279 L280 D284 R285 R286 | D60-E282 WeakPolarHBondContact CA-OE1 3.32Å; W61-E282 PolarHBondContact N-OE1 3.37Å; W61-E282 PolarHBondContact N-OE2 2.8Å; S277-E282 WeakPolarHBondContact CA-OE2 3.39Å; N278-E282 PolarHBondContact N-OE2 3.32Å; H279-E282 PolarHBondContact ND1-N 2.65Å; H279-E282 WeakPolarHBondContact O-CB 3.25Å; H279-E282 PolarHBondContact O-N 3.05Å; L280-E282 PolarHBondContact O-N 3.28Å; E282-D284 VanDerWaalsContact C-N 3.3Å; E282-D284 PolarHBondContact O-N 3.34Å; E282-R285 PolarHBondContact O-N 3.01Å; E282-R286 WeakPolarHBondContact O-CG 3.36Å; E282-R286 IonicContact OE1-CZ 2.81Å; E282-R286 IonicContact OE1-NH2 3.9Å; E282-R286 PolarHBondContact OE1-NH2 3.12Å |
| 283 | S | 90.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 11% | 0.105 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.5 | -37.6 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | K252 H279 L280 R285 R286 | K252-S283 PolarHBondContact NZ-O 3.17Å; H279-S283 PolarHBondContact O-N 2.69Å; H279-S283 VanDerWaalsContact O-N 3.15Å; L280-S283 CarbonylContact O-C 3.59Å; L280-S283 WeakPolarHBondContact O-CB 3.24Å; L280-S283 PolarHBondContact O-N 2.8Å; L280-S283 VanDerWaalsContact O-N 3.08Å; S283-R285 VanDerWaalsContact C-N 3.33Å; S283-R285 PolarHBondContact O-N 2.67Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.21Å |
| 284 | D | 92.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 23.2 Ų | 23.2 | 31% | 0.305 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.8 | -35.3 | 179.3 | -78.9 | -15.8 | 0 | 0 | 0 | 112.3 | R249 K252 L280 E282 R286 | R249-D284 IonicContact CZ-OD1 3.17Å; R249-D284 IonicContact CZ-OD2 3.89Å; R249-D284 IonicContact NE-OD1 3.87Å; R249-D284 PolarHBondContact NE-OD1 3.47Å; R249-D284 IonicContact NE-OD2 3.45Å; R249-D284 PolarHBondContact NE-OD2 3.42Å; R249-D284 IonicContact NH2-OD1 2.86Å; R249-D284 IonicContact NH2-OD2 3.97Å; R249-D284 PolarHBondContact NH2-OD2 2.95Å; K252-D284 PolarHBondContact NZ-O 3.47Å; L280-D284 PolarHBondContact O-N 3Å; E282-D284 VanDerWaalsContact C-N 3.3Å; E282-D284 PolarHBondContact O-N 3.34Å; D284-R286 PolarHBondContact O-N 3.29Å |
| 285 | R | 93.7 | Very high | 93.8 | Very high | 84 Ų | 84 | 23.2 Ų | 23.2 | 32% | 0.317 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -69.5 | -18 | 175.6 | -68.3 | -175.3 | -56.8 | -95.1 | 16.1 | 113.7 | H56 D60 E281 E282 S283 | H56-R285 PolarHBondContact CD2-NE 3.48Å; H56-R285 VanDerWaalsContact NE2-CD 3.33Å; H56-R285 WeakPolarHBondContact NE2-CD 3.48Å; D60-R285 IonicContact OD1-NH2 3.94Å; D60-R285 PolarHBondContact OD1-NH2 3.37Å; D60-R285 IonicContact OD2-NH2 3.5Å; D60-R285 PolarHBondContact OD2-NH2 2.9Å; E281-R285 WeakPolarHBondContact O-CG 3.44Å; E281-R285 PolarHBondContact O-N 3.49Å; E281-R285 PolarHBondContact O-NH1 3.05Å; E282-R285 PolarHBondContact O-N 3.01Å; S283-R285 VanDerWaalsContact C-N 3.33Å; S283-R285 PolarHBondContact O-N 2.67Å |
| 286 | R | 93.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -71.6 | 145.7 | 179 | -52.6 | -53.9 | -178.7 | -173.8 | -5.1 | 110.5 | K252 E282 S283 D284 | K252-R286 WeakPolarHBondContact CE-O 3.5Å; K252-R286 PolarHBondContact NZ-O 2.59Å; E282-R286 WeakPolarHBondContact O-CG 3.36Å; E282-R286 IonicContact OE1-CZ 2.81Å; E282-R286 IonicContact OE1-NH2 3.9Å; E282-R286 PolarHBondContact OE1-NH2 3.12Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.21Å; D284-R286 PolarHBondContact O-N 3.29Å |
| 287 | P | 96.3 | Very high | 94.2 | Very high | 46 Ų | 46 | 23.2 Ų | 23.2 | 30% | 0.299 | 12% | 0.118 | S | C | . | . | trans | -68.4 | 166.4 | 172.7 | 31.7 | -35.8 | 0 | 0 | 0 | 110.8 | N271 V273 D289 | N271-P287 HydrophobicContact CB-CG 4.27Å; V273-P287 WeakPolarHBondContact CB-O 3.46Å; P287-D289 VanDerWaalsContact C-N 3.33Å | ||
| 288 | L | 97 | Very high | 94.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -77.2 | -21.5 | 171.9 | -173.1 | 60.6 | 0 | 0 | 0 | 112.7 | Y116 L248 C251 K252 M317 F346 S349 | Y116-L288 HydrophobicContact CE2-CD2 4.16Å; Y116-L288 HydrophobicContact CE2-CG 4.5Å; Y116-L288 VanDerWaalsContact OH-CD1 3.22Å; Y116-L288 WeakPolarHBondContact OH-CD1 3.48Å; Y116-L288 WeakPolarHBondContact OH-CG 3.37Å; L248-L288 HydrophobicContact CD1-CB 4.43Å; L248-L288 HydrophobicContact CD1-CD1 4.01Å; L248-L288 HydrophobicContact CD1-CD2 3.89Å; L248-L288 HydrophobicContact CD1-CG 4.34Å; C251-L288 HydrophobicContact CB-CD1 3.95Å; K252-L288 HydrophobicContact CB-CD1 4.35Å; K252-L288 HydrophobicContact CG-CD1 3.54Å; L288-M317 HydrophobicContact CD2-CE 3.62Å; L288-F346 HydrophobicContact CD2-CD1 3.6Å; L288-F346 HydrophobicContact CD2-CE1 3.61Å; L288-S349 WeakPolarHBondContact CB-OG 3.48Å |
| 289 | D | 96.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.032 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -109.9 | 168.8 | -171.8 | -83 | -78.4 | 0 | 0 | 0 | 114.3 | V273 P287 R309 W352 | V273-D289 PolarHBondContact N-O 2.96Å; P287-D289 VanDerWaalsContact C-N 3.33Å; D289-R309 IonicContact OD1-CZ 2.89Å; D289-R309 IonicContact OD1-NH1 3.29Å; D289-R309 PolarHBondContact OD1-NH1 2.88Å; D289-R309 IonicContact OD1-NH2 3.84Å; D289-R309 PolarHBondContact OD1-NH2 2.78Å; D289-W352 HydrophobicContact CB-CE3 4.13Å; D289-W352 HydrophobicContact CB-CH2 3.63Å; D289-W352 HydrophobicContact CB-CZ2 4.47Å; D289-W352 HydrophobicContact CB-CZ3 3.42Å; D289-W352 VanDerWaalsContact CB-CZ3 3.42Å |
| 290 | L | 98.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | trans | -79.9 | 144 | 179.1 | -62.4 | 167.7 | 0 | 0 | 0 | 111.3 | F120 V273 M274 C294 L295 L298 | F120-L290 HydrophobicContact CE1-CD1 4.12Å; F120-L290 HydrophobicContact CE1-CG 4.33Å; F120-L290 HydrophobicContact CZ-CD1 4.24Å; F120-L290 HydrophobicContact CZ-CG 3.99Å; V273-L290 HydrophobicContact CG1-CD2 3.63Å; V273-L290 HydrophobicContact CG1-CG 4.19Å; M274-L290 HydrophobicContact CG-CD2 3.46Å; M274-L290 VanDerWaalsContact CG-CD2 3.46Å; M274-L290 HydrophobicContact SD-CD2 4.39Å; L290-C294 HydrophobicContact CB-CB 4.19Å; L290-C294 HydrophobicContact CD2-CB 3.76Å; L290-C294 HydrophobicContact CG-CB 4.45Å; L290-L295 HydrophobicContact CB-CB 4.09Å; L290-L295 HydrophobicContact CD1-CD1 4.48Å; L290-L298 HydrophobicContact CD1-CB 3.94Å; L290-L298 HydrophobicContact CD1-CD2 3.49Å; L290-L298 VanDerWaalsContact CD1-CD2 3.49Å; L290-L298 HydrophobicContact CD1-CG 4.34Å | ||
| 291 | C | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -69.4 | 164.4 | 162.5 | 73.1 | 0 | 0 | 0 | 0 | 111.5 | M270 C272 I293 C294 L295 | M270-C291 HydrophobicContact CG-CB 3.25Å; M270-C291 HydrophobicContact SD-CB 3.65Å; C272-C291 HydrophobicContact CB-CB 3.92Å; C272-C291 PolarHBondContact SG-N 2.62Å; C272-C291 VanDerWaalsContact SG-N 3.39Å; C291-I293 VanDerWaalsContact C-N 3.25Å; C291-I293 PolarHBondContact O-N 3.18Å; C291-I293 VanDerWaalsContact O-N 3.14Å; C291-C294 PolarHBondContact O-N 2.94Å; C291-C294 VanDerWaalsContact SG-SG 3.69Å; C291-L295 WeakPolarHBondContact O-CB 3.5Å; C291-L295 PolarHBondContact O-N 3.38Å | ||
| 292 | P | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.1 | -35.7 | -176.1 | -33.7 | 44.8 | 0 | 0 | 0 | 114.2 | L15 L37 F50 M270 L295 H296 | L15-P292 HydrophobicContact CD1-CB 4.27Å; L37-P292 HydrophobicContact CB-CB 4.29Å; L37-P292 HydrophobicContact CD2-CB 3.81Å; L37-P292 VanDerWaalsContact O-CB 3.28Å; L37-P292 WeakPolarHBondContact O-CB 3.43Å; F50-P292 HydrophobicContact CD1-CG 3.96Å; F50-P292 HydrophobicContact CD2-CG 3.76Å; F50-P292 VanDerWaalsContact CE1-CD 3.44Å; F50-P292 HydrophobicContact CE1-CG 3.63Å; F50-P292 HydrophobicContact CE2-CG 3.45Å; F50-P292 VanDerWaalsContact CE2-CG 3.45Å; F50-P292 HydrophobicContact CG-CG 4.01Å; F50-P292 HydrophobicContact CZ-CG 3.39Å; M270-P292 VanDerWaalsContact SD-CD 3.56Å; P292-L295 PolarHBondContact O-N 3.01Å; P292-H296 WeakPolarHBondContact O-CB 3.17Å; P292-H296 PolarHBondContact O-N 3.39Å |
| 293 | I | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 178 | -63.8 | 164.3 | 0 | 0 | 0 | 110.5 | L11 A14 L15 W269 M270 C291 K297 | L11-I293 HydrophobicContact CD2-CD1 4.39Å; A14-I293 HydrophobicContact CB-CD1 3.74Å; A14-I293 HydrophobicContact CB-CG1 4.49Å; L15-I293 HydrophobicContact CB-CG1 4.07Å; L15-I293 HydrophobicContact CD1-CG1 4.26Å; W269-I293 HydrophobicContact CB-CD1 3.58Å; W269-I293 HydrophobicContact CD2-CD1 3.84Å; W269-I293 HydrophobicContact CE3-CD1 4.4Å; W269-I293 HydrophobicContact CG-CD1 3.44Å; W269-I293 VanDerWaalsContact CG-CD1 3.44Å; M270-I293 HydrophobicContact CE-CD1 4.22Å; C291-I293 VanDerWaalsContact C-N 3.25Å; C291-I293 PolarHBondContact O-N 3.18Å; C291-I293 VanDerWaalsContact O-N 3.14Å; I293-K297 VanDerWaalsContact O-CG 3.31Å; I293-K297 WeakPolarHBondContact O-CG 3.46Å; I293-K297 PolarHBondContact O-N 2.89Å |
| 294 | C | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -76 | -30.3 | 179 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | C267 M274 L290 C291 K297 L298 | C267-C294 VanDerWaalsContact SG-SG 3.67Å; M274-C294 HydrophobicContact CG-CB 4.5Å; L290-C294 HydrophobicContact CB-CB 4.19Å; L290-C294 HydrophobicContact CD2-CB 3.76Å; L290-C294 HydrophobicContact CG-CB 4.45Å; C291-C294 PolarHBondContact O-N 2.94Å; C291-C294 VanDerWaalsContact SG-SG 3.69Å; C294-K297 PolarHBondContact O-N 3.37Å; C294-L298 WeakPolarHBondContact O-CB 3.31Å; C294-L298 PolarHBondContact O-N 3.39Å |
| 295 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 171.6 | -179.9 | 60.2 | 0 | 0 | 0 | 110.8 | L37 L290 C291 P292 K297 L298 Q299 F304 I306 Y310 | L37-L295 HydrophobicContact CD2-CB 4.42Å; L37-L295 HydrophobicContact CD2-CD2 3.92Å; L37-L295 HydrophobicContact CD2-CG 4.29Å; L290-L295 HydrophobicContact CB-CB 4.09Å; L290-L295 HydrophobicContact CD1-CD1 4.48Å; C291-L295 WeakPolarHBondContact O-CB 3.5Å; C291-L295 PolarHBondContact O-N 3.38Å; P292-L295 PolarHBondContact O-N 3.01Å; L295-K297 PolarHBondContact O-N 3Å; L295-L298 PolarHBondContact O-N 3.1Å; L295-Q299 VanDerWaalsContact O-CB 3.22Å; L295-Q299 WeakPolarHBondContact O-CB 3.49Å; L295-Q299 PolarHBondContact O-N 2.81Å; L295-F304 HydrophobicContact CD1-CE2 4.38Å; L295-F304 HydrophobicContact CD1-CZ 4.48Å; L295-I306 HydrophobicContact CD2-CD1 4.03Å; L295-I306 HydrophobicContact CD2-CG1 4.48Å; L295-I306 HydrophobicContact CD2-CG2 4.05Å; L295-I306 HydrophobicContact CG-CD1 4.27Å; L295-Y310 VanDerWaalsContact CD2-OH 3.23Å; L295-Y310 WeakPolarHBondContact CD2-OH 3.42Å |
| 296 | H | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.5 | -177.6 | 37.7 | 0 | 0 | 0 | 111.7 | L15 Y26 Y29 F72 P292 L298 Q299 V300 | L15-H296 HydrophobicContact CD1-CB 3.97Å; L15-H296 PolarHBondContact O-CD2 2.96Å; Y26-H296 AromaticContact CD2-NE2 3.92Å; Y29-H296 AromaticContact CE2-CE1 3.55Å; Y29-H296 AromaticContact CE2-ND1 3.25Å; Y29-H296 VanDerWaalsContact CE2-ND1 3.25Å; Y29-H296 WeakPolarHBondContact CE2-ND1 3.19Å; Y29-H296 AromaticContact CZ-ND1 3.47Å; Y29-H296 PolarHBondContact OH-ND1 3.12Å; F72-H296 AromaticContact CD1-CD2 3.57Å; F72-H296 AromaticContact CD1-NE2 3.36Å; F72-H296 WeakPolarHBondContact CD1-NE2 3.19Å; F72-H296 AromaticContact CD2-CD2 3.24Å; F72-H296 WeakPolarHBondContact CD2-CD2 3.33Å; F72-H296 AromaticContact CD2-CG 3.93Å; F72-H296 AromaticContact CD2-NE2 3.64Å; F72-H296 AromaticContact CE1-CD2 3.82Å; F72-H296 AromaticContact CE1-NE2 3.18Å; F72-H296 WeakPolarHBondContact CE1-NE2 3.37Å; F72-H296 AromaticContact CE2-CD2 3.52Å; F72-H296 AromaticContact CE2-CE1 3.92Å; F72-H296 AromaticContact CE2-NE2 3.48Å; F72-H296 WeakPolarHBondContact CE2-NE2 3.3Å; F72-H296 AromaticContact CG-CD2 3.27Å; F72-H296 WeakPolarHBondContact CG-CD2 3.39Å; F72-H296 AromaticContact CG-NE2 3.59Å; F72-H296 AromaticContact CZ-CD2 3.82Å; F72-H296 AromaticContact CZ-CE1 3.73Å; F72-H296 AromaticContact CZ-NE2 3.26Å; F72-H296 VanDerWaalsContact CZ-NE2 3.26Å; F72-H296 WeakPolarHBondContact CZ-NE2 3.33Å; P292-H296 WeakPolarHBondContact O-CB 3.17Å; P292-H296 PolarHBondContact O-N 3.39Å; H296-L298 PolarHBondContact O-N 2.88Å; H296-Q299 PolarHBondContact O-N 2.68Å; H296-V300 VanDerWaalsContact CE1-CG2 3.43Å; H296-V300 WeakPolarHBondContact CE1-CG2 3.37Å; H296-V300 WeakPolarHBondContact O-CB 3.24Å; H296-V300 WeakPolarHBondContact O-CG2 3.4Å; H296-V300 PolarHBondContact O-N 3.43Å |
| 297 | K | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56 | -50 | 174.3 | -68 | 174.3 | -173.5 | 178.5 | 0 | 112.1 | Q70 D71 F72 F75 I264 I293 C294 L295 A301 | Q70-K297 PolarHBondContact O-NZ 3.22Å; D71-K297 VanDerWaalsContact O-CE 3.25Å; D71-K297 WeakPolarHBondContact O-CE 3.4Å; F72-K297 HydrophobicContact CD2-CG 3.96Å; F75-K297 HydrophobicContact CB-CD 3.79Å; F75-K297 HydrophobicContact CB-CG 3.91Å; F75-K297 HydrophobicContact CD1-CB 3.67Å; F75-K297 HydrophobicContact CD1-CD 4.16Å; F75-K297 HydrophobicContact CD1-CG 3.5Å; F75-K297 HydrophobicContact CD2-CB 4.29Å; F75-K297 HydrophobicContact CD2-CD 3.99Å; F75-K297 HydrophobicContact CD2-CG 4.21Å; F75-K297 HydrophobicContact CE1-CB 3.56Å; F75-K297 HydrophobicContact CE1-CG 3.97Å; F75-K297 WeakPolarHBondContact CE1-O 3.48Å; F75-K297 HydrophobicContact CE2-CB 4.21Å; F75-K297 HydrophobicContact CG-CB 4.02Å; F75-K297 HydrophobicContact CG-CD 3.72Å; F75-K297 HydrophobicContact CG-CG 3.61Å; F75-K297 HydrophobicContact CZ-CB 3.84Å; F75-K297 HydrophobicContact CZ-CG 4.5Å; I264-K297 HydrophobicContact CD1-CB 4.28Å; I264-K297 HydrophobicContact CG1-CB 4.24Å; I264-K297 HydrophobicContact CG1-CD 4.44Å; I264-K297 HydrophobicContact CG2-CD 4.28Å; I293-K297 VanDerWaalsContact O-CG 3.31Å; I293-K297 WeakPolarHBondContact O-CG 3.46Å; I293-K297 PolarHBondContact O-N 2.89Å; C294-K297 PolarHBondContact O-N 3.37Å; L295-K297 PolarHBondContact O-N 3Å; K297-A301 WeakPolarHBondContact O-CB 3.35Å; K297-A301 PolarHBondContact O-N 3.37Å; K297-A301 VanDerWaalsContact O-N 3.13Å |
| 298 | L | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | -178.4 | -175.9 | 63.1 | 0 | 0 | 0 | 111.5 | F120 F121 F262 I264 L290 C294 L295 H296 A301 G302 F304 | F120-L298 HydrophobicContact CD1-CD2 4.46Å; F120-L298 HydrophobicContact CE1-CD2 4.1Å; F121-L298 HydrophobicContact CD1-CD1 4.1Å; F121-L298 HydrophobicContact CD1-CD2 4.25Å; F121-L298 HydrophobicContact CE1-CD1 4.19Å; F121-L298 HydrophobicContact CE1-CD2 4.26Å; F262-L298 HydrophobicContact CD1-CD1 3.88Å; F262-L298 HydrophobicContact CD2-CD1 3.88Å; F262-L298 HydrophobicContact CE1-CD1 3.85Å; F262-L298 HydrophobicContact CE2-CD1 3.88Å; F262-L298 HydrophobicContact CG-CD1 3.88Å; F262-L298 HydrophobicContact CZ-CD1 3.87Å; I264-L298 HydrophobicContact CD1-CB 4.07Å; I264-L298 HydrophobicContact CD1-CD1 4.41Å; L290-L298 HydrophobicContact CD1-CB 3.94Å; L290-L298 HydrophobicContact CD1-CD2 3.49Å; L290-L298 VanDerWaalsContact CD1-CD2 3.49Å; L290-L298 HydrophobicContact CD1-CG 4.34Å; C294-L298 WeakPolarHBondContact O-CB 3.31Å; C294-L298 PolarHBondContact O-N 3.39Å; L295-L298 PolarHBondContact O-N 3.1Å; H296-L298 PolarHBondContact O-N 2.88Å; L298-A301 PolarHBondContact O-N 2.72Å; L298-G302 PolarHBondContact O-N 2.82Å; L298-F304 HydrophobicContact CB-CZ 4.48Å; L298-F304 HydrophobicContact CD2-CE1 4.27Å; L298-F304 HydrophobicContact CD2-CZ 4.14Å; L298-F304 HydrophobicContact CG-CE1 3.87Å; L298-F304 HydrophobicContact CG-CZ 3.99Å |
| 299 | Q | 97.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 20.3 Ų | 20.3 | 15% | 0.15 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 180 | -169.9 | -76.1 | -31.1 | 0 | 0 | 111.4 | Y29 L295 H296 A301 G302 G303 F304 I306 | Y29-Q299 HydrophobicContact CE1-CG 4.01Å; Y29-Q299 VanDerWaalsContact CE1-OE1 3.27Å; Y29-Q299 VanDerWaalsContact CZ-OE1 3.23Å; Y29-Q299 PolarHBondContact OH-OE1 2.89Å; L295-Q299 VanDerWaalsContact O-CB 3.22Å; L295-Q299 WeakPolarHBondContact O-CB 3.49Å; L295-Q299 PolarHBondContact O-N 2.81Å; H296-Q299 PolarHBondContact O-N 2.68Å; Q299-A301 VanDerWaalsContact C-N 3.26Å; Q299-A301 PolarHBondContact O-N 3.33Å; Q299-G302 PolarHBondContact O-N 2.91Å; Q299-G303 WeakPolarHBondContact O-CA 3.25Å; Q299-G303 PolarHBondContact O-N 2.94Å; Q299-F304 HydrophobicContact CB-CE2 4.08Å; Q299-F304 HydrophobicContact CB-CZ 3.94Å; Q299-F304 HydrophobicContact CG-CD2 4.3Å; Q299-F304 HydrophobicContact CG-CE2 4.06Å; Q299-F304 HydrophobicContact CG-CZ 4.36Å; Q299-F304 VanDerWaalsContact CG-O 3.28Å; Q299-F304 WeakPolarHBondContact CG-O 3.28Å; Q299-F304 PolarHBondContact NE2-O 3.45Å; Q299-I306 HydrophobicContact CG-CG1 4.15Å |
| 300 | V | 96.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 20 Ų | 20 | 19% | 0.194 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66 | -31.3 | 175.2 | 168.3 | 0 | 0 | 0 | 0 | 111.7 | L25 F72 Y76 H296 | L25-V300 HydrophobicContact CD1-CG1 4.35Å; F72-V300 HydrophobicContact CE2-CB 4Å; F72-V300 HydrophobicContact CE2-CG1 4.2Å; F72-V300 HydrophobicContact CE2-CG2 3.83Å; F72-V300 HydrophobicContact CZ-CB 4.21Å; F72-V300 HydrophobicContact CZ-CG1 4.08Å; F72-V300 HydrophobicContact CZ-CG2 3.78Å; Y76-V300 HydrophobicContact CD2-CG1 4.01Å; Y76-V300 HydrophobicContact CE2-CG1 3.96Å; H296-V300 VanDerWaalsContact CE1-CG2 3.43Å; H296-V300 WeakPolarHBondContact CE1-CG2 3.37Å; H296-V300 WeakPolarHBondContact O-CB 3.24Å; H296-V300 WeakPolarHBondContact O-CG2 3.4Å; H296-V300 PolarHBondContact O-N 3.43Å |
| 301 | A | 95.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -78.2 | -37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | F75 T83 P84 F262 K297 L298 Q299 | F75-A301 HydrophobicContact CZ-CB 4.31Å; T83-A301 WeakPolarHBondContact CG2-O 3.33Å; P84-A301 WeakPolarHBondContact CD-O 3.09Å; F262-A301 HydrophobicContact CD1-CB 3.76Å; F262-A301 HydrophobicContact CE1-CB 4.44Å; K297-A301 WeakPolarHBondContact O-CB 3.35Å; K297-A301 PolarHBondContact O-N 3.37Å; K297-A301 VanDerWaalsContact O-N 3.13Å; L298-A301 PolarHBondContact O-N 2.72Å; Q299-A301 VanDerWaalsContact C-N 3.26Å; Q299-A301 PolarHBondContact O-N 3.33Å |
| 302 | G | 93.9 | Very high | 97.3 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 24% | 0.237 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -96.5 | -19 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L298 Q299 F304 | L298-G302 PolarHBondContact O-N 2.82Å; Q299-G302 PolarHBondContact O-N 2.91Å; G302-F304 PolarHBondContact O-N 3.35Å |
| 303 | G | 95 | Very high | 97.3 | Very high | 63 Ų | 63 | 24.4 Ų | 24.4 | 65% | 0.649 | 15% | 0.146 | S | C | * | . | trans | 68.1 | 14.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q299 | Q299-G303 WeakPolarHBondContact O-CA 3.25Å; Q299-G303 PolarHBondContact O-N 2.94Å | ||
| 304 | F | 95.6 | Very high | 97.3 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | trans | -80.7 | 162.6 | 179.7 | 58.8 | -95.5 | 0 | 0 | 0 | 112.7 | C122 L295 L298 Q299 G302 R309 | C122-F304 HydrophobicContact CB-CB 3.98Å; C122-F304 HydrophobicContact CB-CD1 4.4Å; C122-F304 HydrophobicContact CB-CG 4.05Å; C122-F304 WeakPolarHBondContact O-CD1 3.49Å; L295-F304 HydrophobicContact CD1-CE2 4.38Å; L295-F304 HydrophobicContact CD1-CZ 4.48Å; L298-F304 HydrophobicContact CB-CZ 4.48Å; L298-F304 HydrophobicContact CD2-CE1 4.27Å; L298-F304 HydrophobicContact CD2-CZ 4.14Å; L298-F304 HydrophobicContact CG-CE1 3.87Å; L298-F304 HydrophobicContact CG-CZ 3.99Å; Q299-F304 HydrophobicContact CB-CE2 4.08Å; Q299-F304 HydrophobicContact CB-CZ 3.94Å; Q299-F304 HydrophobicContact CG-CD2 4.3Å; Q299-F304 HydrophobicContact CG-CE2 4.06Å; Q299-F304 HydrophobicContact CG-CZ 4.36Å; Q299-F304 VanDerWaalsContact CG-O 3.28Å; Q299-F304 WeakPolarHBondContact CG-O 3.28Å; Q299-F304 PolarHBondContact NE2-O 3.45Å; G302-F304 PolarHBondContact O-N 3.35Å; F304-R309 HydrophobicContact CD2-CB 3.91Å; F304-R309 HydrophobicContact CE2-CB 4.1Å; F304-R309 HydrophobicContact CE2-CG 4.34Å | ||
| 305 | K | 96.7 | Very high | 97.2 | Very high | 138 Ų | 138 | 32.2 Ų | 32.2 | 60% | 0.6 | 18% | 0.177 | S | C | * | . | trans | -84.2 | 133.9 | 167.6 | -61.3 | -175.7 | -175.1 | 170 | 0 | 110 | A307 D308 R309 | K305-A307 VanDerWaalsContact C-N 3.3Å; K305-A307 PolarHBondContact O-N 3.35Å; K305-D308 HydrophobicContact CB-CB 4.26Å; K305-D308 WeakPolarHBondContact CD-OD2 3.49Å; K305-D308 PolarHBondContact O-N 2.84Å; K305-R309 PolarHBondContact O-N 3.21Å | ||
| 306 | I | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | -175.3 | -63.5 | 176.1 | 0 | 0 | 0 | 111.1 | Y29 E33 L36 L37 L295 Q299 D308 R309 Y310 L360 | Y29-I306 HydrophobicContact CE1-CD1 4.06Å; E33-I306 HydrophobicContact CB-CD1 4.34Å; E33-I306 HydrophobicContact CG-CB 4.41Å; E33-I306 HydrophobicContact CG-CD1 4.18Å; E33-I306 PolarHBondContact OE1-N 3.13Å; L36-I306 HydrophobicContact CD2-CG2 3.8Å; L37-I306 HydrophobicContact CD1-CD1 4.4Å; L37-I306 HydrophobicContact CD2-CD1 4.35Å; L37-I306 HydrophobicContact CG-CD1 4.44Å; L295-I306 HydrophobicContact CD2-CD1 4.03Å; L295-I306 HydrophobicContact CD2-CG1 4.48Å; L295-I306 HydrophobicContact CD2-CG2 4.05Å; L295-I306 HydrophobicContact CG-CD1 4.27Å; Q299-I306 HydrophobicContact CG-CG1 4.15Å; I306-D308 PolarHBondContact O-N 2.88Å; I306-R309 PolarHBondContact O-N 3.25Å; I306-Y310 HydrophobicContact CG2-CD2 3.84Å; I306-Y310 HydrophobicContact CG2-CE2 3.44Å; I306-Y310 VanDerWaalsContact CG2-CE2 3.44Å; I306-Y310 PolarHBondContact O-N 3.47Å; I306-L360 HydrophobicContact CG2-CD1 4.07Å |
| 307 | A | 97.3 | Very high | 97 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K305 Y310 K311 L357 L360 | K305-A307 VanDerWaalsContact C-N 3.3Å; K305-A307 PolarHBondContact O-N 3.35Å; A307-Y310 PolarHBondContact O-N 3.5Å; A307-K311 WeakPolarHBondContact O-CB 3.29Å; A307-K311 VanDerWaalsContact O-CG 3.3Å; A307-K311 WeakPolarHBondContact O-CG 3.29Å; A307-K311 PolarHBondContact O-N 3.08Å; A307-L357 HydrophobicContact CB-CD2 4.48Å; A307-L360 HydrophobicContact CB-CD1 4.01Å |
| 308 | D | 97.4 | Very high | 96.7 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.2 | -41.7 | -178.4 | -65.9 | -16.1 | 0 | 0 | 0 | 111 | K305 I306 K311 A312 | K305-D308 HydrophobicContact CB-CB 4.26Å; K305-D308 WeakPolarHBondContact CD-OD2 3.49Å; K305-D308 PolarHBondContact O-N 2.84Å; I306-D308 PolarHBondContact O-N 2.88Å; D308-K311 PolarHBondContact O-N 2.59Å; D308-A312 WeakPolarHBondContact O-CB 3.34Å; D308-A312 PolarHBondContact O-N 3.24Å |
| 309 | R | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 173.3 | -179.2 | -177 | 166.4 | -77 | -6.4 | 111.5 | F120 C122 D289 F304 K305 I306 K311 A312 L313 | F120-R309 VanDerWaalsContact O-CD 3.28Å; F120-R309 WeakPolarHBondContact O-CD 3.49Å; F120-R309 PolarHBondContact O-NE 3.48Å; C122-R309 HydrophobicContact CB-CB 3.84Å; C122-R309 HydrophobicContact CB-CG 4.03Å; D289-R309 IonicContact OD1-CZ 2.89Å; D289-R309 IonicContact OD1-NH1 3.29Å; D289-R309 PolarHBondContact OD1-NH1 2.88Å; D289-R309 IonicContact OD1-NH2 3.84Å; D289-R309 PolarHBondContact OD1-NH2 2.78Å; F304-R309 HydrophobicContact CD2-CB 3.91Å; F304-R309 HydrophobicContact CE2-CB 4.1Å; F304-R309 HydrophobicContact CE2-CG 4.34Å; K305-R309 PolarHBondContact O-N 3.21Å; I306-R309 PolarHBondContact O-N 3.25Å; R309-K311 PolarHBondContact O-N 3.43Å; R309-A312 PolarHBondContact O-N 2.84Å; R309-L313 HydrophobicContact CG-CD1 4.23Å; R309-L313 WeakPolarHBondContact O-CG 3.49Å; R309-L313 PolarHBondContact O-N 3.4Å |
| 310 | Y | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 178.9 | -69.4 | -23.3 | 0 | 0 | 0 | 113.1 | L36 L295 I306 A307 A312 L313 L314 W352 L353 C356 L360 | L36-Y310 HydrophobicContact CD2-CE2 3.67Å; L295-Y310 VanDerWaalsContact CD2-OH 3.23Å; L295-Y310 WeakPolarHBondContact CD2-OH 3.42Å; I306-Y310 HydrophobicContact CG2-CD2 3.84Å; I306-Y310 HydrophobicContact CG2-CE2 3.44Å; I306-Y310 VanDerWaalsContact CG2-CE2 3.44Å; I306-Y310 PolarHBondContact O-N 3.47Å; A307-Y310 PolarHBondContact O-N 3.5Å; Y310-A312 VanDerWaalsContact C-N 3.34Å; Y310-L313 HydrophobicContact CD1-CD1 4.43Å; Y310-L313 PolarHBondContact O-N 3.47Å; Y310-L314 WeakPolarHBondContact O-CB 3.31Å; Y310-L314 PolarHBondContact O-N 3.48Å; Y310-W352 HydrophobicContact CE1-CH2 4.15Å; Y310-W352 HydrophobicContact CE1-CZ3 4Å; Y310-W352 AromaticContact CZ-CH2 3.94Å; Y310-W352 WeakPolarHBondContact OH-CH2 3.35Å; Y310-L353 HydrophobicContact CD1-CD2 3.38Å; Y310-L353 HydrophobicContact CE1-CD2 4Å; Y310-L353 HydrophobicContact CG-CD2 3.77Å; Y310-C356 HydrophobicContact CD2-CB 3.83Å; Y310-C356 HydrophobicContact CE2-CB 3.61Å; Y310-L360 HydrophobicContact CD2-CD1 3.84Å; Y310-L360 HydrophobicContact CE2-CD1 4.19Å |
| 311 | K | 98 | Very high | 92.7 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 173 | -73.2 | 173.7 | -175.6 | -174.5 | 0 | 111.8 | A307 D308 R309 R315 L357 E361 | A307-K311 WeakPolarHBondContact O-CB 3.29Å; A307-K311 VanDerWaalsContact O-CG 3.3Å; A307-K311 WeakPolarHBondContact O-CG 3.29Å; A307-K311 PolarHBondContact O-N 3.08Å; D308-K311 PolarHBondContact O-N 2.59Å; R309-K311 PolarHBondContact O-N 3.43Å; K311-R315 WeakPolarHBondContact O-CB 3.06Å; K311-R315 VanDerWaalsContact O-CG 3.28Å; K311-R315 WeakPolarHBondContact O-CG 3.19Å; K311-R315 PolarHBondContact O-N 2.82Å; K311-R315 PolarHBondContact O-NE 2.86Å; K311-L357 HydrophobicContact CD-CD2 4.46Å; K311-L357 HydrophobicContact CG-CD1 4.19Å; K311-L357 HydrophobicContact CG-CD2 3.79Å; K311-E361 WeakPolarHBondContact CE-OE1 3.29Å; K311-E361 IonicContact NZ-OE1 3.84Å; K311-E361 PolarHBondContact NZ-OE1 3.11Å |
| 312 | A | 97.9 | Very high | 90.2 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A119 D308 R309 Y310 R315 W316 | A119-A312 HydrophobicContact CB-CB 3.97Å; D308-A312 WeakPolarHBondContact O-CB 3.34Å; D308-A312 PolarHBondContact O-N 3.24Å; R309-A312 PolarHBondContact O-N 2.84Å; Y310-A312 VanDerWaalsContact C-N 3.34Å; A312-R315 PolarHBondContact O-N 3.16Å; A312-W316 WeakPolarHBondContact O-CB 3.03Å; A312-W316 PolarHBondContact O-N 3.37Å |
| 313 | L | 98.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.8 | -73.4 | 169 | 0 | 0 | 0 | 112.3 | Y116 A119 F120 R309 Y310 W316 M317 L353 | Y116-L313 HydrophobicContact CD2-CD2 4.08Å; Y116-L313 HydrophobicContact CE2-CD2 3.76Å; A119-L313 HydrophobicContact CB-CD2 3.99Å; A119-L313 HydrophobicContact CB-CG 4.37Å; F120-L313 HydrophobicContact CB-CD2 4.02Å; F120-L313 HydrophobicContact CD2-CD1 4.14Å; F120-L313 HydrophobicContact CD2-CD2 4Å; F120-L313 HydrophobicContact CG-CD2 4.47Å; R309-L313 HydrophobicContact CG-CD1 4.23Å; R309-L313 WeakPolarHBondContact O-CG 3.49Å; R309-L313 PolarHBondContact O-N 3.4Å; Y310-L313 HydrophobicContact CD1-CD1 4.43Å; Y310-L313 PolarHBondContact O-N 3.47Å; L313-W316 PolarHBondContact O-N 3.24Å; L313-M317 WeakPolarHBondContact O-CG 3.17Å; L313-M317 PolarHBondContact O-N 3.47Å; L313-L353 HydrophobicContact CB-CD1 3.81Å; L313-L353 HydrophobicContact CB-CD2 4.45Å; L313-L353 HydrophobicContact CD1-CD2 4.44Å |
| 314 | L | 97.6 | Very high | 85.3 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 178.9 | -173.8 | 63.4 | 0 | 0 | 0 | 111.1 | Y310 W316 M317 E318 R350 L353 R354 L357 | Y310-L314 WeakPolarHBondContact O-CB 3.31Å; Y310-L314 PolarHBondContact O-N 3.48Å; L314-W316 PolarHBondContact O-N 3.07Å; L314-M317 PolarHBondContact O-N 3.07Å; L314-E318 HydrophobicContact CD1-CG 4.26Å; L314-E318 VanDerWaalsContact CD1-OE1 3.28Å; L314-E318 WeakPolarHBondContact CD1-OE1 3.35Å; L314-E318 HydrophobicContact CG-CG 4.42Å; L314-E318 WeakPolarHBondContact O-CB 3.17Å; L314-E318 WeakPolarHBondContact O-CG 3.5Å; L314-E318 PolarHBondContact O-N 3.26Å; L314-R350 HydrophobicContact CD1-CB 4.16Å; L314-R350 HydrophobicContact CD1-CG 4.31Å; L314-L353 HydrophobicContact CB-CD1 4.39Å; L314-L353 HydrophobicContact CD1-CB 4.35Å; L314-R354 HydrophobicContact CD1-CG 4.1Å; L314-R354 HydrophobicContact CD2-CG 3.72Å; L314-L357 HydrophobicContact CD2-CD1 3.96Å |
| 315 | R | 96.9 | Very high | 82.6 | Confident | 147 Ų | 147 | 66.5 Ų | 66.5 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -55.7 | -49.5 | 172.9 | -77.3 | -178 | -68.8 | 167.7 | -0.5 | 111.2 | K311 A312 M317 E318 D319 | K311-R315 WeakPolarHBondContact O-CB 3.06Å; K311-R315 VanDerWaalsContact O-CG 3.28Å; K311-R315 WeakPolarHBondContact O-CG 3.19Å; K311-R315 PolarHBondContact O-N 2.82Å; K311-R315 PolarHBondContact O-NE 2.86Å; A312-R315 PolarHBondContact O-N 3.16Å; R315-M317 PolarHBondContact O-N 2.63Å; R315-M317 VanDerWaalsContact O-N 3.12Å; R315-E318 CarbonylContact O-C 3.54Å; R315-E318 PolarHBondContact O-N 3.42Å; R315-D319 VanDerWaalsContact O-CB 3.3Å; R315-D319 WeakPolarHBondContact O-CB 3.44Å; R315-D319 PolarHBondContact O-N 2.59Å |
| 316 | W | 96.6 | Very high | 79.8 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57 | -33.2 | 176.9 | -179.4 | 91.7 | 0 | 0 | 0 | 112.9 | W112 Y116 A119 L247 A312 L313 L314 K341 F346 | W112-W316 HydrophobicContact CB-CZ2 4.11Å; W112-W316 WeakPolarHBondContact O-CZ2 3.35Å; W112-W316 PolarHBondContact O-NE1 2.84Å; Y116-W316 HydrophobicContact CD2-CD2 4.12Å; Y116-W316 AromaticContact CD2-CE3 3.81Å; Y116-W316 HydrophobicContact CD2-CE3 3.81Å; Y116-W316 HydrophobicContact CD2-CH2 4.15Å; Y116-W316 HydrophobicContact CD2-CZ2 4.43Å; Y116-W316 AromaticContact CD2-CZ3 3.85Å; Y116-W316 HydrophobicContact CD2-CZ3 3.85Å; Y116-W316 HydrophobicContact CG-CH2 4.41Å; Y116-W316 HydrophobicContact CG-CZ2 4.36Å; A119-W316 HydrophobicContact CB-CB 4.49Å; L247-W316 HydrophobicContact CD1-CH2 4.48Å; L247-W316 HydrophobicContact CD2-CH2 4.01Å; L247-W316 HydrophobicContact CD2-CZ2 4.41Å; L247-W316 HydrophobicContact CG-CH2 4.21Å; A312-W316 WeakPolarHBondContact O-CB 3.03Å; A312-W316 PolarHBondContact O-N 3.37Å; L313-W316 PolarHBondContact O-N 3.24Å; L314-W316 PolarHBondContact O-N 3.07Å; W316-K341 HydrophobicContact CH2-CD 4.39Å; W316-K341 HydrophobicContact CZ2-CD 3.91Å; W316-K341 WeakPolarHBondContact O-CE 3.33Å; W316-K341 PolarHBondContact O-NZ 3.09Å; W316-F346 HydrophobicContact CH2-CE1 4.03Å; W316-F346 AromaticContact CH2-CZ 3.84Å; W316-F346 HydrophobicContact CH2-CZ 3.84Å; W316-F346 HydrophobicContact CZ3-CD1 4.07Å; W316-F346 AromaticContact CZ3-CE1 3.57Å; W316-F346 HydrophobicContact CZ3-CE1 3.57Å; W316-F346 AromaticContact CZ3-CZ 3.84Å; W316-F346 HydrophobicContact CZ3-CZ 3.84Å |
| 317 | M | 95.8 | Very high | 77 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -79.5 | -25.2 | 177.2 | -65.2 | 177.6 | -163.6 | 0 | 0 | 114 | L288 L313 L314 R315 T343 F346 R350 L353 | L288-M317 HydrophobicContact CD2-CE 3.62Å; L313-M317 WeakPolarHBondContact O-CG 3.17Å; L313-M317 PolarHBondContact O-N 3.47Å; L314-M317 PolarHBondContact O-N 3.07Å; R315-M317 PolarHBondContact O-N 2.63Å; R315-M317 VanDerWaalsContact O-N 3.12Å; M317-T343 PolarHBondContact O-OG1 3.37Å; M317-F346 HydrophobicContact CE-CD1 3.97Å; M317-F346 HydrophobicContact CG-CB 4.34Å; M317-F346 HydrophobicContact CG-CD1 4.08Å; M317-F346 HydrophobicContact CG-CG 4.48Å; M317-F346 HydrophobicContact SD-CB 4.05Å; M317-F346 HydrophobicContact SD-CD1 4.03Å; M317-R350 HydrophobicContact CB-CG 3.7Å; M317-R350 HydrophobicContact CG-CG 4.26Å; M317-R350 HydrophobicContact SD-CG 3.59Å; M317-R350 VanDerWaalsContact SD-CG 3.59Å; M317-L353 HydrophobicContact CE-CD1 3.66Å; M317-L353 HydrophobicContact SD-CD1 3.93Å |
| 318 | E | 93.1 | Very high | 74.3 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 34% | 0.336 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -99.9 | -18.8 | -175.3 | -68.6 | 177.5 | 169.4 | 0 | 0 | 113.5 | L314 R315 D320 R354 | L314-E318 HydrophobicContact CD1-CG 4.26Å; L314-E318 VanDerWaalsContact CD1-OE1 3.28Å; L314-E318 WeakPolarHBondContact CD1-OE1 3.35Å; L314-E318 HydrophobicContact CG-CG 4.42Å; L314-E318 WeakPolarHBondContact O-CB 3.17Å; L314-E318 WeakPolarHBondContact O-CG 3.5Å; L314-E318 PolarHBondContact O-N 3.26Å; R315-E318 CarbonylContact O-C 3.54Å; R315-E318 PolarHBondContact O-N 3.42Å; E318-D320 VanDerWaalsContact C-N 3.28Å; E318-D320 PolarHBondContact O-N 3.22Å; E318-R354 IonicContact OE1-CZ 3.47Å; E318-R354 VanDerWaalsContact OE1-CZ 3.31Å; E318-R354 IonicContact OE1-NE 2.72Å; E318-R354 PolarHBondContact OE1-NE 3.17Å; E318-R354 IonicContact OE1-NH2 3.67Å; E318-R354 PolarHBondContact OE1-NH2 2.86Å |
| 319 | D | 86.3 | Confident | 71.4 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 47% | 0.465 | 44% | 0.438 | S | S | . | . | trans | -67 | 90.3 | 175.9 | -71.5 | -16.3 | 0 | 0 | 0 | 108.5 | R315 K341 | R315-D319 VanDerWaalsContact O-CB 3.3Å; R315-D319 WeakPolarHBondContact O-CB 3.44Å; R315-D319 PolarHBondContact O-N 2.59Å; D319-K341 VanDerWaalsContact O-CE 3.28Å; D319-K341 WeakPolarHBondContact O-CE 3.34Å; D319-K341 PolarHBondContact O-NZ 3.34Å | ||
| 320 | D | 65.6 | Low | 68.6 | Low | 75 Ų | 75 | 85.2 Ų | 85.2 | 40% | 0.401 | 48% | 0.475 | S | S | . | . | trans | -70.6 | 131.9 | 150.9 | -63.8 | -16.2 | 0 | 0 | 0 | 105.4 | E318 S322 H340 | E318-D320 VanDerWaalsContact C-N 3.28Å; E318-D320 PolarHBondContact O-N 3.22Å; D320-S322 PolarHBondContact O-N 3.01Å; D320-S322 PolarHBondContact O-OG 3.11Å; D320-S322 VanDerWaalsContact O-OG 3.08Å; D320-H340 IonicContact OD1-CE1 2.72Å; D320-H340 PolarHBondContact OD1-CE1 2.94Å; D320-H340 IonicContact OD1-ND1 3.39Å; D320-H340 IonicContact OD1-NE2 2.7Å; D320-H340 PolarHBondContact OD1-NE2 3.12Å; D320-H340 VanDerWaalsContact OD1-NE2 3.17Å; D320-H340 IonicContact OD2-NE2 3.69Å | ||
| 321 | E | 56 | Low | 65.7 | Low | 124 Ų | 124 | 89.8 Ų | 89.8 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -60.3 | 71.6 | 178 | -71.4 | -176.1 | 170.5 | 0 | 0 | 111.5 | R108 | R108-E321 IonicContact NH1-OE1 3.44Š|
| 322 | S | 42.8 | Very low | 62.8 | Low | 94 Ų | 94 | 90.3 Ų | 90.3 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | trans | -113.7 | 5.7 | -178 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | D320 | D320-S322 PolarHBondContact O-N 3.01Å; D320-S322 PolarHBondContact O-OG 3.11Å; D320-S322 VanDerWaalsContact O-OG 3.08Å | ||
| 323 | Q | 41.8 | Very low | 60.1 | Low | 180 Ų | 180 | 98.4 Ų | 98.4 | 84% | 0.841 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -111.4 | 25.7 | 179.5 | -66.6 | -151.5 | -5.4 | 0 | 0 | 115.1 | ||
| 324 | L | 44.2 | Very low | 57.2 | Low | 156 Ų | 156 | 107.3 Ų | 107.3 | 82% | 0.817 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -134 | 68.4 | 167.2 | -71.8 | 171.8 | 0 | 0 | 0 | 111 | ||
| 325 | S | 38.8 | Very low | 54.4 | Low | 92 Ų | 92 | 112 Ų | 112 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -142 | 5.5 | 156.8 | 69.7 | 0 | 0 | 0 | 0 | 114.7 | A327 | S325-A327 VanDerWaalsContact C-N 3.26Å; S325-A327 PolarHBondContact O-N 3.36Å |
| 326 | E | 37.7 | Very low | 52 | Low | 207 Ų | 207 | 107.7 Ų | 107.7 | 97% | 0.967 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -82.1 | -2.7 | 166.8 | -71.9 | -167.7 | 163.5 | 0 | 0 | 113.3 | ||
| 327 | A | 39.2 | Very low | 49.7 | Very low | 86 Ų | 86 | 111.3 Ų | 111.3 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -112.2 | -2.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S325 | S325-A327 VanDerWaalsContact C-N 3.26Å; S325-A327 PolarHBondContact O-N 3.36Å |
| 328 | E | 40.6 | Very low | 47.8 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 77% | 0.771 | 70% | 0.698 | S | S | * | * | trans | -103.5 | 41.8 | 174 | -69.7 | -169.7 | 160.8 | 0 | 0 | 111.8 | A330 | E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 2.96Å; E328-A330 VanDerWaalsContact O-N 3.12Å | ||
| 329 | G | 36.5 | Very low | 46.6 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -73.5 | 89.9 | 153 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 330 | A | 39.5 | Very low | 46.5 | Very low | 96 Ų | 96 | 119.3 Ų | 119.3 | 79% | 0.793 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 96.9 | 83.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | E328 | E328-A330 VanDerWaalsContact C-N 3.31Å; E328-A330 PolarHBondContact O-N 2.96Å; E328-A330 VanDerWaalsContact O-N 3.12Å |
| 331 | A | 36.7 | Very low | 47.7 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | -177.8 | 111.6 | 123.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 332 | A | 37.3 | Very low | 49.4 | Very low | 90 Ų | 90 | 111.4 Ų | 111.4 | 74% | 0.744 | 66% | 0.657 | S | S | * | * | trans | 35.3 | 117.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 333 | H | 41.3 | Very low | 51.9 | Low | 189 Ų | 189 | 107.2 Ų | 107.2 | 88% | 0.875 | 63% | 0.627 | S | S | * | * | trans | 43.9 | 77.7 | 133.3 | -78.4 | -66.9 | 0 | 0 | 0 | 118.8 | ||||
| 334 | H | 36.7 | Very low | 54.4 | Low | 187 Ų | 187 | 104.3 Ų | 104.3 | 87% | 0.866 | 61% | 0.614 | S | S | * | * | trans | -140.7 | 127.3 | 137.1 | -82.4 | -71 | 0 | 0 | 0 | 108.5 | A336 | H334-A336 PolarHBondContact O-N 3.23Š| ||
| 335 | S | 38.9 | Very low | 56.9 | Low | 119 Ų | 119 | 98.6 Ų | 98.6 | 83% | 0.832 | 59% | 0.589 | S | S | * | * | trans | -66.1 | 79.2 | 170.3 | 170.6 | 0 | 0 | 0 | 0 | 108.6 | V337 | S335-V337 PolarHBondContact O-N 3.46Å; S335-V337 VanDerWaalsContact O-N 3.12Å | ||
| 336 | A | 46.5 | Very low | 59.7 | Low | 55 Ų | 55 | 94.2 Ų | 94.2 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | trans | -63.2 | 113.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | H334 H338 | H334-A336 PolarHBondContact O-N 3.23Å; A336-H338 PolarHBondContact O-CD2 3.39Å; A336-H338 PolarHBondContact O-N 3.26Å | ||
| 337 | V | 49 | Very low | 62.5 | Low | 90 Ų | 90 | 88 Ų | 88 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | trans | -65.7 | 105 | 170.6 | -176.1 | 0 | 0 | 0 | 0 | 105.9 | S335 F339 | S335-V337 PolarHBondContact O-N 3.46Å; S335-V337 VanDerWaalsContact O-N 3.12Å; V337-F339 HydrophobicContact CB-CE1 4.38Å; V337-F339 HydrophobicContact CB-CE2 3.9Å; V337-F339 HydrophobicContact CB-CZ 3.67Å; V337-F339 HydrophobicContact CG1-CD1 4.39Å; V337-F339 HydrophobicContact CG1-CE1 3.5Å; V337-F339 VanDerWaalsContact CG1-CE1 3.5Å; V337-F339 HydrophobicContact CG1-CE2 3.92Å; V337-F339 HydrophobicContact CG1-CZ 3.24Å; V337-F339 VanDerWaalsContact O-CD2 3.23Å; V337-F339 WeakPolarHBondContact O-CD2 3.37Å; V337-F339 VanDerWaalsContact O-CE2 3.27Å; V337-F339 WeakPolarHBondContact O-CE2 3.43Å; V337-F339 PolarHBondContact O-N 2.94Å | ||
| 338 | H | 54.4 | Low | 65.2 | Low | 165 Ų | 165 | 91.6 Ų | 91.6 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | trans | -69.7 | 118.3 | 179.3 | -67.8 | -76.5 | 0 | 0 | 0 | 109.2 | A336 | A336-H338 PolarHBondContact O-CD2 3.39Å; A336-H338 PolarHBondContact O-N 3.26Å | ||
| 339 | F | 68.9 | Low | 67.9 | Low | 52 Ų | 52 | 84.5 Ų | 84.5 | 23% | 0.228 | 50% | 0.503 | C | S | . | . | trans | -100.3 | 106.2 | 175.4 | -65.8 | -63.8 | 0 | 0 | 0 | 109.5 | L104 Q105 W112 V337 | L104-F339 HydrophobicContact CB-CE2 4.34Å; Q105-F339 HydrophobicContact CB-CD2 4.45Å; Q105-F339 HydrophobicContact CB-CE2 4.43Å; Q105-F339 HydrophobicContact CG-CD1 3.53Å; Q105-F339 HydrophobicContact CG-CD2 3.51Å; Q105-F339 HydrophobicContact CG-CE1 3.35Å; Q105-F339 HydrophobicContact CG-CE2 3.27Å; Q105-F339 HydrophobicContact CG-CG 3.64Å; Q105-F339 HydrophobicContact CG-CZ 3.18Å; W112-F339 HydrophobicContact CH2-CB 4.47Å; V337-F339 HydrophobicContact CB-CE1 4.38Å; V337-F339 HydrophobicContact CB-CE2 3.9Å; V337-F339 HydrophobicContact CB-CZ 3.67Å; V337-F339 HydrophobicContact CG1-CD1 4.39Å; V337-F339 HydrophobicContact CG1-CE1 3.5Å; V337-F339 VanDerWaalsContact CG1-CE1 3.5Å; V337-F339 HydrophobicContact CG1-CE2 3.92Å; V337-F339 HydrophobicContact CG1-CZ 3.24Å; V337-F339 VanDerWaalsContact O-CD2 3.23Å; V337-F339 WeakPolarHBondContact O-CD2 3.37Å; V337-F339 VanDerWaalsContact O-CE2 3.27Å; V337-F339 WeakPolarHBondContact O-CE2 3.43Å; V337-F339 PolarHBondContact O-N 2.94Å | ||
| 340 | H | 83.2 | Confident | 70.7 | Confident | 110 Ų | 110 | 83.6 Ų | 83.6 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | trans | -67.5 | 133.1 | 172.8 | -170.1 | -42.6 | 0 | 0 | 0 | 109.8 | D320 P342 | D320-H340 IonicContact OD1-CE1 2.72Å; D320-H340 PolarHBondContact OD1-CE1 2.94Å; D320-H340 IonicContact OD1-ND1 3.39Å; D320-H340 IonicContact OD1-NE2 2.7Å; D320-H340 PolarHBondContact OD1-NE2 3.12Å; D320-H340 VanDerWaalsContact OD1-NE2 3.17Å; D320-H340 IonicContact OD2-NE2 3.69Å; H340-P342 VanDerWaalsContact O-CD 3.29Å; H340-P342 WeakPolarHBondContact O-CD 3.09Å | ||
| 341 | K | 91.3 | Very high | 73.5 | Confident | 15 Ų | 15 | 83.2 Ų | 83.2 | 7% | 0.065 | 46% | 0.459 | C | S | . | . | trans | -62.3 | 112.9 | 170.5 | -177.9 | 176 | 58.7 | -150.5 | 0 | 109.7 | W112 L247 W316 D319 T343 | W112-K341 HydrophobicContact CB-CD 4.37Å; W112-K341 HydrophobicContact CD2-CB 4.02Å; W112-K341 HydrophobicContact CD2-CD 4.24Å; W112-K341 HydrophobicContact CD2-CG 3.74Å; W112-K341 HydrophobicContact CE3-CB 4.49Å; W112-K341 HydrophobicContact CE3-CG 4.15Å; W112-K341 HydrophobicContact CG-CD 3.89Å; W112-K341 HydrophobicContact CG-CG 3.94Å; W112-K341 HydrophobicContact CH2-CB 4.32Å; W112-K341 VanDerWaalsContact CZ2-CA 3.49Å; W112-K341 HydrophobicContact CZ2-CB 3.81Å; W112-K341 HydrophobicContact CZ2-CG 4.45Å; L247-K341 HydrophobicContact CD2-CG 3.95Å; W316-K341 HydrophobicContact CH2-CD 4.39Å; W316-K341 HydrophobicContact CZ2-CD 3.91Å; W316-K341 WeakPolarHBondContact O-CE 3.33Å; W316-K341 PolarHBondContact O-NZ 3.09Å; D319-K341 VanDerWaalsContact O-CE 3.28Å; D319-K341 WeakPolarHBondContact O-CE 3.34Å; D319-K341 PolarHBondContact O-NZ 3.34Å; K341-T343 HydrophobicContact CD-CG2 4.15Å; K341-T343 HydrophobicContact CG-CG2 3.82Å; K341-T343 PolarHBondContact O-N 2.87Å | ||
| 342 | P | 91.9 | Very high | 76.3 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 12% | 0.117 | 43% | 0.43 | C | S | . | . | trans | -78.6 | 102.1 | -171.1 | 32.5 | -35.2 | 0 | 0 | 0 | 109.4 | W112 I242 S244 L247 H340 | W112-P342 VanDerWaalsContact CZ3-CD 3.48Å; W112-P342 HydrophobicContact CZ3-CG 4.49Å; I242-P342 HydrophobicContact CG2-CG 4.27Å; S244-P342 WeakPolarHBondContact CA-O 3.09Å; S244-P342 VanDerWaalsContact CB-C 3.48Å; S244-P342 WeakPolarHBondContact CB-O 3.05Å; L247-P342 HydrophobicContact CD2-CG 4.35Å; H340-P342 VanDerWaalsContact O-CD 3.29Å; H340-P342 WeakPolarHBondContact O-CD 3.09Å | ||
| 343 | T | 94.5 | Very high | 79.2 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | trans | -112.5 | 13.8 | -175.4 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | M317 K341 A345 F346 | M317-T343 PolarHBondContact O-OG1 3.37Å; K341-T343 HydrophobicContact CD-CG2 4.15Å; K341-T343 HydrophobicContact CG-CG2 3.82Å; K341-T343 PolarHBondContact O-N 2.87Å; T343-A345 VanDerWaalsContact C-N 3.29Å; T343-A345 PolarHBondContact O-N 3.18Å; T343-F346 HydrophobicContact CG2-CD2 4.45Å; T343-F346 WeakPolarHBondContact O-CB 3.28Å; T343-F346 PolarHBondContact O-N 3.19Å | ||
| 344 | E | 95.5 | Very high | 81.9 | Confident | 119 Ų | 119 | 73.2 Ų | 73.2 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -59.6 | -40.3 | -177 | -55.9 | 78.4 | -167.8 | 0 | 0 | 112.2 | S244 F346 N347 | S244-E344 WeakPolarHBondContact CB-OE2 3.45Å; S244-E344 PolarHBondContact OG-OE2 2.92Å; E344-F346 PolarHBondContact O-N 2.87Å; E344-N347 PolarHBondContact O-N 3.48Å |
| 345 | A | 96.3 | Very high | 84.7 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -65.9 | -13.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | L248 T343 N347 | L248-A345 HydrophobicContact CB-CB 4.17Å; L248-A345 HydrophobicContact CD2-CB 3.96Å; T343-A345 VanDerWaalsContact C-N 3.29Å; T343-A345 PolarHBondContact O-N 3.18Å; A345-N347 VanDerWaalsContact C-N 3.33Å |
| 346 | F | 97.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -87.9 | 1.1 | -179.2 | -68.1 | -105.6 | 0 | 0 | 0 | 113.1 | L247 L248 C251 L288 W316 M317 T343 E344 E348 S349 R350 | L247-F346 HydrophobicContact CB-CE2 4.29Å; L247-F346 HydrophobicContact CD2-CE2 4.27Å; L247-F346 HydrophobicContact CD2-CZ 4.49Å; L247-F346 HydrophobicContact CG-CE2 4.07Å; L247-F346 HydrophobicContact CG-CZ 4.02Å; L248-F346 VanDerWaalsContact CA-CZ 3.41Å; L248-F346 HydrophobicContact CB-CD2 4.32Å; L248-F346 HydrophobicContact CB-CE1 4.5Å; L248-F346 HydrophobicContact CB-CE2 3.78Å; L248-F346 HydrophobicContact CB-CZ 3.9Å; L248-F346 HydrophobicContact CD1-CD1 3.78Å; L248-F346 HydrophobicContact CD1-CD2 4.35Å; L248-F346 HydrophobicContact CD1-CE1 3.67Å; L248-F346 HydrophobicContact CD1-CE2 4.27Å; L248-F346 HydrophobicContact CD1-CG 4.14Å; L248-F346 HydrophobicContact CD1-CZ 3.95Å; C251-F346 HydrophobicContact CB-CE1 4.3Å; C251-F346 HydrophobicContact CB-CZ 4.31Å; L288-F346 HydrophobicContact CD2-CD1 3.6Å; L288-F346 HydrophobicContact CD2-CE1 3.61Å; W316-F346 HydrophobicContact CH2-CE1 4.03Å; W316-F346 AromaticContact CH2-CZ 3.84Å; W316-F346 HydrophobicContact CH2-CZ 3.84Å; W316-F346 HydrophobicContact CZ3-CD1 4.07Å; W316-F346 AromaticContact CZ3-CE1 3.57Å; W316-F346 HydrophobicContact CZ3-CE1 3.57Å; W316-F346 AromaticContact CZ3-CZ 3.84Å; W316-F346 HydrophobicContact CZ3-CZ 3.84Å; M317-F346 HydrophobicContact CE-CD1 3.97Å; M317-F346 HydrophobicContact CG-CB 4.34Å; M317-F346 HydrophobicContact CG-CD1 4.08Å; M317-F346 HydrophobicContact CG-CG 4.48Å; M317-F346 HydrophobicContact SD-CB 4.05Å; M317-F346 HydrophobicContact SD-CD1 4.03Å; T343-F346 HydrophobicContact CG2-CD2 4.45Å; T343-F346 WeakPolarHBondContact O-CB 3.28Å; T343-F346 PolarHBondContact O-N 3.19Å; E344-F346 PolarHBondContact O-N 2.87Å; F346-E348 VanDerWaalsContact C-N 3.31Å; F346-E348 PolarHBondContact O-N 3.41Å; F346-S349 WeakPolarHBondContact O-CA 3.15Å; F346-S349 WeakPolarHBondContact O-CB 3.23Å; F346-S349 PolarHBondContact O-N 3.33Å; F346-R350 PolarHBondContact O-N 2.99Å |
| 347 | N | 96.4 | Very high | 89.8 | Confident | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.4 | -42.8 | -172.1 | -171.2 | 59.3 | 0 | 0 | 0 | 113.8 | E344 A345 R350 L351 | E344-N347 PolarHBondContact O-N 3.48Å; A345-N347 VanDerWaalsContact C-N 3.33Å; N347-R350 PolarHBondContact O-N 2.78Å; N347-R350 PolarHBondContact OD1-NH2 2.72Å; N347-L351 WeakPolarHBondContact O-CG 3.49Å; N347-L351 PolarHBondContact O-N 3.39Å; N347-L351 VanDerWaalsContact O-N 3.1Å |
| 348 | E | 95.8 | Very high | 91.9 | Very high | 163 Ų | 163 | 59.3 Ų | 59.3 | 76% | 0.762 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 176.3 | -174 | 179 | 176.3 | 0 | 0 | 111.5 | F346 R350 L351 W352 | F346-E348 VanDerWaalsContact C-N 3.31Å; F346-E348 PolarHBondContact O-N 3.41Å; E348-R350 PolarHBondContact O-N 3.24Å; E348-L351 PolarHBondContact O-N 3.33Å; E348-W352 VanDerWaalsContact O-CB 3.32Å; E348-W352 WeakPolarHBondContact O-CB 3.18Å; E348-W352 PolarHBondContact O-N 3.49Å |
| 349 | S | 96.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.6 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | L288 F346 W352 L353 | L288-S349 WeakPolarHBondContact CB-OG 3.48Å; F346-S349 WeakPolarHBondContact O-CA 3.15Å; F346-S349 WeakPolarHBondContact O-CB 3.23Å; F346-S349 PolarHBondContact O-N 3.33Å; S349-W352 PolarHBondContact O-N 3.11Å; S349-L353 WeakPolarHBondContact O-CB 3.41Å; S349-L353 VanDerWaalsContact O-CG 3.29Å; S349-L353 WeakPolarHBondContact O-CG 3.42Å; S349-L353 PolarHBondContact O-N 3.32Å |
| 350 | R | 97.2 | Very high | 94.8 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 174.8 | -69.1 | -173.5 | -56.3 | -164.5 | 0.8 | 112 | L314 M317 F346 N347 E348 W352 L353 R354 | L314-R350 HydrophobicContact CD1-CB 4.16Å; L314-R350 HydrophobicContact CD1-CG 4.31Å; M317-R350 HydrophobicContact CB-CG 3.7Å; M317-R350 HydrophobicContact CG-CG 4.26Å; M317-R350 HydrophobicContact SD-CG 3.59Å; M317-R350 VanDerWaalsContact SD-CG 3.59Å; F346-R350 PolarHBondContact O-N 2.99Å; N347-R350 PolarHBondContact O-N 2.78Å; N347-R350 PolarHBondContact OD1-NH2 2.72Å; E348-R350 PolarHBondContact O-N 3.24Å; R350-W352 VanDerWaalsContact C-N 3.32Å; R350-W352 PolarHBondContact O-N 2.7Å; R350-L353 PolarHBondContact O-N 3.08Å; R350-R354 WeakPolarHBondContact O-CG 3.27Å; R350-R354 PolarHBondContact O-N 3.5Å |
| 351 | L | 96.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 178.9 | -68.3 | 174.7 | 0 | 0 | 0 | 111.4 | N347 E348 R354 S355 | N347-L351 WeakPolarHBondContact O-CG 3.49Å; N347-L351 PolarHBondContact O-N 3.39Å; N347-L351 VanDerWaalsContact O-N 3.1Å; E348-L351 PolarHBondContact O-N 3.33Å; L351-R354 PolarHBondContact O-N 3.34Å; L351-S355 PolarHBondContact O-N 3.32Å; L351-S355 PolarHBondContact O-OG 3.43Å |
| 352 | W | 96.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.5 | -178.2 | 86.6 | 0 | 0 | 0 | 112.4 | L49 F50 D289 Y310 E348 S349 R350 R354 S355 C356 | L49-W352 PolarHBondContact O-NE1 2.93Å; F50-W352 HydrophobicContact CD1-CZ2 4.37Å; F50-W352 HydrophobicContact CE1-CH2 4.45Å; F50-W352 AromaticContact CE1-CZ2 3.62Å; F50-W352 HydrophobicContact CE1-CZ2 3.62Å; F50-W352 HydrophobicContact CZ-CZ2 4.05Å; D289-W352 HydrophobicContact CB-CE3 4.13Å; D289-W352 HydrophobicContact CB-CH2 3.63Å; D289-W352 HydrophobicContact CB-CZ2 4.47Å; D289-W352 HydrophobicContact CB-CZ3 3.42Å; D289-W352 VanDerWaalsContact CB-CZ3 3.42Å; Y310-W352 HydrophobicContact CE1-CH2 4.15Å; Y310-W352 HydrophobicContact CE1-CZ3 4Å; Y310-W352 AromaticContact CZ-CH2 3.94Å; Y310-W352 WeakPolarHBondContact OH-CH2 3.35Å; E348-W352 VanDerWaalsContact O-CB 3.32Å; E348-W352 WeakPolarHBondContact O-CB 3.18Å; E348-W352 PolarHBondContact O-N 3.49Å; S349-W352 PolarHBondContact O-N 3.11Å; R350-W352 VanDerWaalsContact C-N 3.32Å; R350-W352 PolarHBondContact O-N 2.7Å; W352-R354 PolarHBondContact O-N 3.12Å; W352-S355 PolarHBondContact O-N 3.06Å; W352-C356 WeakPolarHBondContact CZ2-SG 3.45Å; W352-C356 PolarHBondContact O-N 3.13Å; W352-C356 PolarHBondContact O-SG 3.41Å |
| 353 | L | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.1 | -77.1 | 170.5 | 0 | 0 | 0 | 111.9 | Y310 L313 L314 M317 S349 R350 S355 C356 L357 | Y310-L353 HydrophobicContact CD1-CD2 3.38Å; Y310-L353 HydrophobicContact CE1-CD2 4Å; Y310-L353 HydrophobicContact CG-CD2 3.77Å; L313-L353 HydrophobicContact CB-CD1 3.81Å; L313-L353 HydrophobicContact CB-CD2 4.45Å; L313-L353 HydrophobicContact CD1-CD2 4.44Å; L314-L353 HydrophobicContact CB-CD1 4.39Å; L314-L353 HydrophobicContact CD1-CB 4.35Å; M317-L353 HydrophobicContact CE-CD1 3.66Å; M317-L353 HydrophobicContact SD-CD1 3.93Å; S349-L353 WeakPolarHBondContact O-CB 3.41Å; S349-L353 VanDerWaalsContact O-CG 3.29Å; S349-L353 WeakPolarHBondContact O-CG 3.42Å; S349-L353 PolarHBondContact O-N 3.32Å; R350-L353 PolarHBondContact O-N 3.08Å; L353-S355 PolarHBondContact O-N 3.38Å; L353-C356 WeakPolarHBondContact O-CB 3.41Å; L353-C356 PolarHBondContact O-N 2.82Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.14Å |
| 354 | R | 97.1 | Very high | 91.6 | Very high | 118 Ų | 118 | 67.7 Ų | 67.7 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 175.1 | -71.4 | 175.2 | -177.5 | 178.4 | -2.3 | 111.3 | L314 E318 R350 L351 W352 C356 L357 D358 | L314-R354 HydrophobicContact CD1-CG 4.1Å; L314-R354 HydrophobicContact CD2-CG 3.72Å; E318-R354 IonicContact OE1-CZ 3.47Å; E318-R354 VanDerWaalsContact OE1-CZ 3.31Å; E318-R354 IonicContact OE1-NE 2.72Å; E318-R354 PolarHBondContact OE1-NE 3.17Å; E318-R354 IonicContact OE1-NH2 3.67Å; E318-R354 PolarHBondContact OE1-NH2 2.86Å; R350-R354 WeakPolarHBondContact O-CG 3.27Å; R350-R354 PolarHBondContact O-N 3.5Å; L351-R354 PolarHBondContact O-N 3.34Å; W352-R354 PolarHBondContact O-N 3.12Å; R354-C356 VanDerWaalsContact C-N 3.3Å; R354-C356 PolarHBondContact O-N 3.41Å; R354-L357 WeakPolarHBondContact O-CB 3.48Å; R354-L357 PolarHBondContact O-N 3.15Å; R354-L357 VanDerWaalsContact O-N 3.16Å; R354-D358 VanDerWaalsContact O-CG 3.29Å; R354-D358 PolarHBondContact O-N 3.27Å |
| 355 | S | 96 | Very high | 91.4 | Very high | 50 Ų | 50 | 65 Ų | 65 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 176.8 | -61 | 0 | 0 | 0 | 0 | 112.8 | L351 W352 L353 R359 | L351-S355 PolarHBondContact O-N 3.32Å; L351-S355 PolarHBondContact O-OG 3.43Å; W352-S355 PolarHBondContact O-N 3.06Å; L353-S355 PolarHBondContact O-N 3.38Å; S355-R359 WeakPolarHBondContact O-CG 3.32Å; S355-R359 PolarHBondContact O-N 2.75Å |
| 356 | C | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 173.6 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | L36 Y310 W352 L353 R354 R359 L360 | L36-C356 HydrophobicContact CD1-CB 4.02Å; Y310-C356 HydrophobicContact CD2-CB 3.83Å; Y310-C356 HydrophobicContact CE2-CB 3.61Å; W352-C356 WeakPolarHBondContact CZ2-SG 3.45Å; W352-C356 PolarHBondContact O-N 3.13Å; W352-C356 PolarHBondContact O-SG 3.41Å; L353-C356 WeakPolarHBondContact O-CB 3.41Å; L353-C356 PolarHBondContact O-N 2.82Å; R354-C356 VanDerWaalsContact C-N 3.3Å; R354-C356 PolarHBondContact O-N 3.41Å; C356-R359 PolarHBondContact O-N 3.23Å; C356-L360 WeakPolarHBondContact O-CG 3.41Å; C356-L360 PolarHBondContact O-N 2.75Å; C356-L360 VanDerWaalsContact O-N 3.13Å |
| 357 | L | 96.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 70.5 Ų | 70.5 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.4 | -73.6 | 166.6 | 0 | 0 | 0 | 111.6 | A307 K311 L314 L353 R354 R359 L360 E361 | A307-L357 HydrophobicContact CB-CD2 4.48Å; K311-L357 HydrophobicContact CD-CD2 4.46Å; K311-L357 HydrophobicContact CG-CD1 4.19Å; K311-L357 HydrophobicContact CG-CD2 3.79Å; L314-L357 HydrophobicContact CD2-CD1 3.96Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.14Å; R354-L357 WeakPolarHBondContact O-CB 3.48Å; R354-L357 PolarHBondContact O-N 3.15Å; R354-L357 VanDerWaalsContact O-N 3.16Å; L357-R359 VanDerWaalsContact C-N 3.27Å; L357-R359 PolarHBondContact O-N 2.75Å; L357-L360 HydrophobicContact CD2-CD1 4.42Å; L357-L360 WeakPolarHBondContact O-CB 3.35Å; L357-L360 PolarHBondContact O-N 2.86Å; L357-E361 WeakPolarHBondContact O-CG 3.11Å; L357-E361 PolarHBondContact O-N 3.06Å |
| 358 | D | 93.6 | Very high | 90.4 | Very high | 95 Ų | 95 | 70.3 Ų | 70.3 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.6 | -42 | 174.7 | -63.9 | -24.2 | 0 | 0 | 0 | 111.2 | R354 L360 E361 I362 | R354-D358 VanDerWaalsContact O-CG 3.29Å; R354-D358 PolarHBondContact O-N 3.27Å; D358-L360 VanDerWaalsContact C-N 3.33Å; D358-L360 PolarHBondContact O-N 3.12Å; D358-E361 PolarHBondContact O-N 2.79Å; D358-I362 WeakPolarHBondContact O-CD1 3.27Å; D358-I362 VanDerWaalsContact O-CG1 3.23Å; D358-I362 WeakPolarHBondContact O-CG1 3.22Å; D358-I362 PolarHBondContact O-N 3.3Å; D358-I362 VanDerWaalsContact O-N 3.11Å |
| 359 | R | 90.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.8 | -28.9 | 177.6 | -62.6 | -43.7 | -170.5 | 87.5 | 15.4 | 114.1 | L36 E39 G47 L49 S355 C356 L357 | L36-R359 HydrophobicContact CD1-CB 4.35Å; E39-R359 IonicContact OE1-CZ 3.76Å; E39-R359 IonicContact OE1-NH1 3.62Å; E39-R359 PolarHBondContact OE1-NH1 3.05Å; E39-R359 IonicContact OE1-NH2 2.86Å; G47-R359 PolarHBondContact O-NH2 3.15Å; L49-R359 HydrophobicContact CD1-CG 3.87Å; S355-R359 WeakPolarHBondContact O-CG 3.32Å; S355-R359 PolarHBondContact O-N 2.75Å; C356-R359 PolarHBondContact O-N 3.23Å; L357-R359 VanDerWaalsContact C-N 3.27Å; L357-R359 PolarHBondContact O-N 2.75Å |
| 360 | L | 92.4 | Very high | 89.6 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -75.5 | -29.1 | 176.4 | -71.9 | 167.4 | 0 | 0 | 0 | 112.1 | E33 L36 I306 A307 Y310 C356 L357 D358 | E33-L360 HydrophobicContact CB-CD2 4.41Å; E33-L360 HydrophobicContact CG-CD2 3.86Å; L36-L360 HydrophobicContact CB-CD2 3.96Å; L36-L360 HydrophobicContact CB-CG 4.42Å; L36-L360 HydrophobicContact CD2-CD1 4Å; L36-L360 HydrophobicContact CD2-CD2 3.75Å; L36-L360 HydrophobicContact CD2-CG 3.91Å; L36-L360 HydrophobicContact CG-CD2 4.45Å; I306-L360 HydrophobicContact CG2-CD1 4.07Å; A307-L360 HydrophobicContact CB-CD1 4.01Å; Y310-L360 HydrophobicContact CD2-CD1 3.84Å; Y310-L360 HydrophobicContact CE2-CD1 4.19Å; C356-L360 WeakPolarHBondContact O-CG 3.41Å; C356-L360 PolarHBondContact O-N 2.75Å; C356-L360 VanDerWaalsContact O-N 3.13Å; L357-L360 HydrophobicContact CD2-CD1 4.42Å; L357-L360 WeakPolarHBondContact O-CB 3.35Å; L357-L360 PolarHBondContact O-N 2.86Å; D358-L360 VanDerWaalsContact C-N 3.33Å; D358-L360 PolarHBondContact O-N 3.12Å |
| 361 | E | 84.6 | Confident | 89 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 55% | 0.547 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -95.4 | -18.5 | -174.5 | -67.5 | -175 | 173.1 | 0 | 0 | 114.4 | K311 L357 D358 S363 | K311-E361 WeakPolarHBondContact CE-OE1 3.29Å; K311-E361 IonicContact NZ-OE1 3.84Å; K311-E361 PolarHBondContact NZ-OE1 3.11Å; L357-E361 WeakPolarHBondContact O-CG 3.11Å; L357-E361 PolarHBondContact O-N 3.06Å; D358-E361 PolarHBondContact O-N 2.79Å; E361-S363 PolarHBondContact O-N 3.12Å; E361-S363 VanDerWaalsContact O-N 3.08Å |
| 362 | I | 68 | Low | 88.3 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | trans | -59.4 | 114.7 | 169.1 | -70.2 | 160.4 | 0 | 0 | 0 | 107.4 | R35 D358 | R35-I362 PolarHBondContact NH2-O 2.97Å; D358-I362 WeakPolarHBondContact O-CD1 3.27Å; D358-I362 VanDerWaalsContact O-CG1 3.23Å; D358-I362 WeakPolarHBondContact O-CG1 3.22Å; D358-I362 PolarHBondContact O-N 3.3Å; D358-I362 VanDerWaalsContact O-N 3.11Å | ||
| 363 | S | 50.5 | Low | 87.6 | Confident | 145 Ų | 145 | 68.3 Ų | 68.3 | 100% | 1.014 | 36% | 0.356 | S | S | * | . | trans | -74.5 | 0 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | R35 E361 | R35-S363 PolarHBondContact NH1-OXT 3.36Å; R35-S363 PolarHBondContact NH2-OXT 3.23Å; E361-S363 PolarHBondContact O-N 3.12Å; E361-S363 VanDerWaalsContact O-N 3.08Å |
Retrieved 363 of 363 residues in 252.6 ms
(Link to these results)