| 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 | 27.2 | Very low | 52.6 | Low | 239 Ų | 239 | 84.5 Ų | 84.5 | 100% | 1.177 | 46% | 0.457 | S | S | * | . | 0 | 131.2 | 0 | -79.2 | 169 | 141.5 | 0 | 0 | 107 | |||||
| 2 | A | 25.7 | Very low | 55.9 | Low | 75 Ų | 75 | 80.3 Ų | 80.3 | 62% | 0.62 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 138.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 3 | P | 27.6 | Very low | 58.8 | Low | 51 Ų | 51 | 76.3 Ų | 76.3 | 33% | 0.331 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 150.7 | 176.7 | 21.7 | -30.4 | 0 | 0 | 0 | 110.2 | E7 | P3-E7 HydrophobicContact CB-CB 4.2Å; P3-E7 WeakPolarHBondContact CB-OE2 3.5Å |
| 4 | P | 30.4 | Very low | 61.4 | Low | 80 Ų | 80 | 70.9 Ų | 70.9 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 149.2 | -179.5 | 22.5 | -31.4 | 0 | 0 | 0 | 110.6 | T6 E7 | P4-T6 PolarHBondContact O-N 3.1Å; P4-E7 PolarHBondContact O-N 2.8Å |
| 5 | V | 37.2 | Very low | 63.6 | Low | 107 Ų | 107 | 68.8 Ų | 68.8 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -50.1 | -29.8 | -177.5 | 178 | 0 | 0 | 0 | 0 | 112 | E7 R8 G9 | V5-E7 VanDerWaalsContact C-N 3.27Å; V5-E7 PolarHBondContact O-N 3.17Å; V5-R8 PolarHBondContact O-N 2.75Å; V5-G9 PolarHBondContact O-N 3.13Å |
| 6 | T | 41.4 | Very low | 65.5 | Low | 66 Ų | 66 | 72.2 Ų | 72.2 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.3 | -33.8 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | P4 S12 | P4-T6 PolarHBondContact O-N 3.1Å; T6-S12 WeakPolarHBondContact O-CB 3.46Å; T6-S12 PolarHBondContact O-OG 3.43Å |
| 7 | E | 50.7 | Low | 67.2 | Low | 111 Ų | 111 | 70.1 Ų | 70.1 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -80.2 | -16.3 | 178.8 | -72 | -174 | -177.5 | 0 | 0 | 113.8 | P3 P4 V5 R16 | P3-E7 HydrophobicContact CB-CB 4.2Å; P3-E7 WeakPolarHBondContact CB-OE2 3.5Å; P4-E7 PolarHBondContact O-N 2.8Å; V5-E7 VanDerWaalsContact C-N 3.27Å; V5-E7 PolarHBondContact O-N 3.17Å; E7-R16 PolarHBondContact O-NH2 3.39Å |
| 8 | R | 64.3 | Low | 68.7 | Low | 157 Ų | 157 | 66.2 Ų | 66.2 | 59% | 0.592 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -102.6 | -16.8 | -174.6 | -69.3 | -171.2 | 177.1 | -158.8 | -3.6 | 114.9 | V5 | V5-R8 PolarHBondContact O-N 2.75Å |
| 9 | G | 87.4 | Confident | 70.1 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -67.6 | 161.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V5 K11 S12 V13 | V5-G9 PolarHBondContact O-N 3.13Å; G9-K11 PolarHBondContact O-N 2.91Å; G9-S12 WeakPolarHBondContact O-CB 3.39Å; G9-S12 PolarHBondContact O-N 3.43Å; G9-V13 PolarHBondContact O-N 3.21Å; G9-V13 VanDerWaalsContact O-N 3.09Å |
| 10 | L | 93.7 | Very high | 71.2 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -53.2 | -37.3 | 179.1 | -173.9 | 62 | 0 | 0 | 0 | 113.2 | S12 V13 V14 F140 P142 S145 Y148 L188 I561 | L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 3.34Å; L10-V14 WeakPolarHBondContact O-CG2 3.23Å; L10-V14 PolarHBondContact O-N 2.91Å; L10-F140 HydrophobicContact CD1-CE2 4.17Å; L10-F140 HydrophobicContact CD1-CZ 4.23Å; L10-F140 HydrophobicContact CD2-CE2 3.92Å; L10-F140 HydrophobicContact CG-CE2 4.13Å; L10-P142 HydrophobicContact CB-CB 4.44Å; L10-P142 HydrophobicContact CD2-CB 4.16Å; L10-P142 HydrophobicContact CG-CB 3.95Å; L10-S145 WeakPolarHBondContact CB-O 3.47Å; L10-S145 PolarHBondContact N-O 2.68Å; L10-Y148 HydrophobicContact CD2-CD1 4.41Å; L10-Y148 HydrophobicContact CD2-CG 4.45Å; L10-L188 HydrophobicContact CD1-CD2 3.8Å; L10-L188 HydrophobicContact CD1-CG 4.46Å; L10-I561 HydrophobicContact CD2-CG2 4.34Å |
| 11 | K | 93.4 | Very high | 72.3 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56 | -46.1 | 173.5 | -73.7 | -176.3 | 169.9 | -176.8 | 0 | 112.5 | G9 V14 W15 S47 C48 P142 H143 E284 | G9-K11 PolarHBondContact O-N 2.91Å; K11-V14 PolarHBondContact O-N 2.89Å; K11-W15 WeakPolarHBondContact O-CB 3.16Å; K11-W15 PolarHBondContact O-N 3.14Å; K11-S47 WeakPolarHBondContact CD-O 3.34Å; K11-S47 WeakPolarHBondContact CE-O 3.45Å; K11-S47 PolarHBondContact NZ-O 3.38Å; K11-C48 HydrophobicContact CB-CB 4.46Å; K11-P142 WeakPolarHBondContact CE-O 3.47Å; K11-P142 HydrophobicContact CG-CB 3.84Å; K11-P142 HydrophobicContact CG-CG 4.11Å; K11-H143 WeakPolarHBondContact CE-O 3.24Å; K11-H143 PolarHBondContact NZ-O 3.11Å; K11-E284 HydrophobicContact CD-CB 4.34Å; K11-E284 HydrophobicContact CD-CG 4.11Å |
| 12 | S | 92.4 | Very high | 75.5 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.5 | -33.2 | 179 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | T6 G9 L10 R16 | T6-S12 WeakPolarHBondContact O-CB 3.46Å; T6-S12 PolarHBondContact O-OG 3.43Å; G9-S12 WeakPolarHBondContact O-CB 3.39Å; G9-S12 PolarHBondContact O-N 3.43Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.41Å; S12-R16 WeakPolarHBondContact O-CB 3.45Å; S12-R16 PolarHBondContact O-N 2.87Å |
| 13 | V | 93.2 | Very high | 78.8 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -48.6 | 171.2 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | G9 L10 R16 K17 T187 | G9-V13 PolarHBondContact O-N 3.21Å; G9-V13 VanDerWaalsContact O-N 3.09Å; L10-V13 PolarHBondContact O-N 3.34Å; V13-R16 PolarHBondContact O-N 3.09Å; V13-K17 WeakPolarHBondContact O-CB 3.48Å; V13-K17 PolarHBondContact O-N 3.48Å; V13-T187 HydrophobicContact CG1-CG2 4.02Å; V13-T187 WeakPolarHBondContact CG1-O 3.41Å |
| 14 | V | 95.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 178 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | L10 K11 R16 K17 I18 L44 C48 I138 F140 P142 T187 | L10-V14 WeakPolarHBondContact O-CG2 3.23Å; L10-V14 PolarHBondContact O-N 2.91Å; K11-V14 PolarHBondContact O-N 2.89Å; V14-R16 PolarHBondContact O-N 2.96Å; V14-K17 PolarHBondContact O-N 3.35Å; V14-I18 HydrophobicContact CG1-CD1 3.89Å; V14-I18 HydrophobicContact CG1-CG1 4.49Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.79Å; V14-L44 HydrophobicContact CG1-CD1 3.82Å; V14-C48 HydrophobicContact CG1-CB 4.47Å; V14-I138 HydrophobicContact CG1-CG2 4.18Å; V14-F140 HydrophobicContact CG2-CE2 3.82Å; V14-F140 HydrophobicContact CG2-CZ 3.6Å; V14-P142 HydrophobicContact CB-CG 4.08Å; V14-P142 HydrophobicContact CG1-CG 4.14Å; V14-P142 HydrophobicContact CG2-CB 4.19Å; V14-P142 HydrophobicContact CG2-CG 3.95Å; V14-T187 HydrophobicContact CG2-CG2 3.99Å |
| 15 | W | 94.5 | Very high | 84.9 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 178.3 | 173.7 | -126.4 | 0 | 0 | 0 | 111.9 | K11 K17 I18 K19 F23 L45 C48 C49 D53 L54 E57 | K11-W15 WeakPolarHBondContact O-CB 3.16Å; K11-W15 PolarHBondContact O-N 3.14Å; W15-K17 VanDerWaalsContact C-N 3.32Å; W15-K17 PolarHBondContact O-N 3.31Å; W15-I18 HydrophobicContact CZ3-CG2 4.38Å; W15-I18 PolarHBondContact O-N 3.29Å; W15-K19 WeakPolarHBondContact O-CB 3.42Å; W15-K19 PolarHBondContact O-N 3.38Å; W15-F23 HydrophobicContact CH2-CD2 4.06Å; W15-F23 AromaticContact CH2-CE2 3.63Å; W15-F23 HydrophobicContact CH2-CE2 3.63Å; W15-F23 HydrophobicContact CZ3-CD2 4.31Å; W15-F23 AromaticContact CZ3-CE2 3.62Å; W15-F23 HydrophobicContact CZ3-CE2 3.62Å; W15-L45 HydrophobicContact CZ3-CD2 4.43Å; W15-C48 HydrophobicContact CB-CB 4.15Å; W15-C49 HydrophobicContact CD2-CB 3.8Å; W15-C49 HydrophobicContact CE3-CB 3.46Å; W15-C49 VanDerWaalsContact CE3-CB 3.46Å; W15-C49 HydrophobicContact CH2-CB 3.88Å; W15-C49 HydrophobicContact CZ2-CB 4.19Å; W15-C49 HydrophobicContact CZ3-CB 3.49Å; W15-C49 VanDerWaalsContact CZ3-CB 3.49Å; W15-C49 VanDerWaalsContact CZ3-SG 3.59Å; W15-D53 HydrophobicContact CH2-CB 4.22Å; W15-D53 HydrophobicContact CZ2-CB 3.75Å; W15-L54 HydrophobicContact CH2-CD2 4.02Å; W15-L54 HydrophobicContact CZ3-CD2 4.17Å; W15-E57 HydrophobicContact CH2-CG 4.39Å; W15-E57 HydrophobicContact CZ2-CG 4.43Å |
| 16 | R | 93.6 | Very high | 87.5 | Confident | 123 Ų | 123 | 45.2 Ų | 45.2 | 46% | 0.464 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -43 | 176.7 | -171.8 | -174.9 | -53.6 | 102.5 | 3.6 | 111.6 | E7 S12 V13 V14 K19 T20 | E7-R16 PolarHBondContact O-NH2 3.39Å; S12-R16 WeakPolarHBondContact O-CB 3.45Å; S12-R16 PolarHBondContact O-N 2.87Å; V13-R16 PolarHBondContact O-N 3.09Å; V14-R16 PolarHBondContact O-N 2.96Å; R16-K19 PolarHBondContact O-N 2.88Å; R16-T20 PolarHBondContact O-N 3.47Å; R16-T20 PolarHBondContact O-OG1 3.39Å; R16-T20 VanDerWaalsContact O-OG1 3.04Å |
| 17 | K | 93.9 | Very high | 89.7 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -50.8 | 176.6 | -172.5 | 173.3 | 168.8 | -178 | 0 | 110.5 | V13 V14 W15 K19 T20 T21 I136 N137 I138 T187 | V13-K17 WeakPolarHBondContact O-CB 3.48Å; V13-K17 PolarHBondContact O-N 3.48Å; V14-K17 PolarHBondContact O-N 3.35Å; W15-K17 VanDerWaalsContact C-N 3.32Å; W15-K17 PolarHBondContact O-N 3.31Å; K17-K19 VanDerWaalsContact C-N 3.31Å; K17-K19 PolarHBondContact O-N 3.25Å; K17-T20 PolarHBondContact O-N 2.99Å; K17-T21 HydrophobicContact CG-CG2 4.22Å; K17-T21 WeakPolarHBondContact O-CB 3.27Å; K17-T21 WeakPolarHBondContact O-CG2 3.24Å; K17-T21 PolarHBondContact O-N 3.41Å; K17-T21 PolarHBondContact O-OG1 2.96Å; K17-I136 WeakPolarHBondContact CE-O 3.25Å; K17-I136 HydrophobicContact CG-CG2 4.49Å; K17-I136 PolarHBondContact NZ-O 3.47Å; K17-I136 VanDerWaalsContact NZ-O 3.14Å; K17-N137 PolarHBondContact NZ-O 3.15Å; K17-I138 HydrophobicContact CB-CD1 4.13Å; K17-I138 HydrophobicContact CD-CD1 3.72Å; K17-I138 HydrophobicContact CD-CG1 3.84Å; K17-I138 HydrophobicContact CG-CD1 3.87Å; K17-T187 HydrophobicContact CD-CG2 3.92Å; K17-T187 PolarHBondContact NZ-OG1 3.32Å |
| 18 | I | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -46.6 | 176.6 | -66.6 | 171.5 | 0 | 0 | 0 | 110.6 | V14 W15 T20 T21 V22 F23 L44 L45 F80 I138 | V14-I18 HydrophobicContact CG1-CD1 3.89Å; V14-I18 HydrophobicContact CG1-CG1 4.49Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.79Å; W15-I18 HydrophobicContact CZ3-CG2 4.38Å; W15-I18 PolarHBondContact O-N 3.29Å; I18-T20 PolarHBondContact O-N 2.91Å; I18-T21 PolarHBondContact O-N 3.5Å; I18-V22 HydrophobicContact CG2-CB 4.34Å; I18-V22 HydrophobicContact CG2-CG2 4.1Å; I18-V22 WeakPolarHBondContact O-CA 3.38Å; I18-V22 WeakPolarHBondContact O-CB 3.47Å; I18-V22 WeakPolarHBondContact O-CG2 3.21Å; I18-V22 PolarHBondContact O-N 2.76Å; I18-F23 HydrophobicContact CG2-CD2 4.25Å; I18-F23 HydrophobicContact CG2-CE2 3.75Å; I18-L44 HydrophobicContact CD1-CD2 4.32Å; I18-L44 HydrophobicContact CD1-CG 4.27Å; I18-L45 HydrophobicContact CD1-CD2 3.99Å; I18-L45 HydrophobicContact CG2-CD2 4.2Å; I18-F80 HydrophobicContact CD1-CE1 4.19Å; I18-F80 HydrophobicContact CD1-CZ 4.21Å; I18-F80 HydrophobicContact CG1-CZ 4.33Å; I18-I138 HydrophobicContact CD1-CD1 4.48Å; I18-I138 HydrophobicContact CG1-CD1 3.72Å |
| 19 | K | 94.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -55.6 | -54.6 | 177.4 | -175.6 | 172.5 | 175.5 | 147.5 | 0 | 112.5 | W15 R16 K17 T21 F23 D24 E57 | W15-K19 WeakPolarHBondContact O-CB 3.42Å; W15-K19 PolarHBondContact O-N 3.38Å; R16-K19 PolarHBondContact O-N 2.88Å; K17-K19 VanDerWaalsContact C-N 3.31Å; K17-K19 PolarHBondContact O-N 3.25Å; K19-T21 PolarHBondContact O-N 3.18Å; K19-F23 PolarHBondContact O-N 3.03Å; K19-F23 VanDerWaalsContact O-N 3.11Å; K19-D24 PolarHBondContact O-N 3.5Å; K19-E57 WeakPolarHBondContact CE-OE1 3.29Å; K19-E57 IonicContact NZ-OE1 3.97Å; K19-E57 PolarHBondContact NZ-OE1 3.19Å |
| 20 | T | 93.5 | Very high | 92.3 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -66.5 | -39.3 | -178 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | R16 K17 I18 | R16-T20 PolarHBondContact O-N 3.47Å; R16-T20 PolarHBondContact O-OG1 3.39Å; R16-T20 VanDerWaalsContact O-OG1 3.04Å; K17-T20 PolarHBondContact O-N 2.99Å; I18-T20 PolarHBondContact O-N 2.91Å |
| 21 | T | 93.2 | Very high | 92.1 | Very high | 28 Ų | 28 | 57.3 Ų | 57.3 | 17% | 0.172 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -89.4 | -23.4 | -172.6 | 62.1 | 0 | 0 | 0 | 0 | 114.3 | K17 I18 K19 D25 Y109 I136 | K17-T21 HydrophobicContact CG-CG2 4.22Å; K17-T21 WeakPolarHBondContact O-CB 3.27Å; K17-T21 WeakPolarHBondContact O-CG2 3.24Å; K17-T21 PolarHBondContact O-N 3.41Å; K17-T21 PolarHBondContact O-OG1 2.96Å; I18-T21 PolarHBondContact O-N 3.5Å; K19-T21 PolarHBondContact O-N 3.18Å; T21-D25 WeakPolarHBondContact O-CB 3.21Å; T21-Y109 VanDerWaalsContact O-CE1 3.28Å; T21-Y109 WeakPolarHBondContact O-CE1 3.36Å; T21-I136 HydrophobicContact CG2-CG2 4.42Å; T21-I136 VanDerWaalsContact OG1-CG2 3.28Å; T21-I136 WeakPolarHBondContact OG1-CG2 3.46Å |
| 22 | V | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -110 | -64.5 | -176.5 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | I18 C26 L78 Y109 I136 | I18-V22 HydrophobicContact CG2-CB 4.34Å; I18-V22 HydrophobicContact CG2-CG2 4.1Å; I18-V22 WeakPolarHBondContact O-CA 3.38Å; I18-V22 WeakPolarHBondContact O-CB 3.47Å; I18-V22 WeakPolarHBondContact O-CG2 3.21Å; I18-V22 PolarHBondContact O-N 2.76Å; V22-C26 PolarHBondContact O-N 3.11Å; V22-C26 PolarHBondContact O-SG 3.4Å; V22-L78 HydrophobicContact CG1-CD1 3.86Å; V22-L78 HydrophobicContact CG1-CD2 3.99Å; V22-L78 HydrophobicContact CG1-CG 4.38Å; V22-Y109 HydrophobicContact CG1-CD2 3.77Å; V22-Y109 HydrophobicContact CG1-CE2 3.98Å; V22-Y109 HydrophobicContact CG1-CG 4.04Å; V22-Y109 HydrophobicContact CG2-CD1 4.16Å; V22-Y109 HydrophobicContact CG2-CG 4.15Å; V22-I136 HydrophobicContact CG2-CD1 3.23Å; V22-I136 HydrophobicContact CG2-CG1 4.37Å |
| 23 | F | 93.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -71.1 | -48.7 | -168.7 | -65.8 | -58.3 | 0 | 0 | 0 | 110.8 | W15 I18 K19 D25 C26 R27 M35 L54 E57 V59 L78 | W15-F23 HydrophobicContact CH2-CD2 4.06Å; W15-F23 AromaticContact CH2-CE2 3.63Å; W15-F23 HydrophobicContact CH2-CE2 3.63Å; W15-F23 HydrophobicContact CZ3-CD2 4.31Å; W15-F23 AromaticContact CZ3-CE2 3.62Å; W15-F23 HydrophobicContact CZ3-CE2 3.62Å; I18-F23 HydrophobicContact CG2-CD2 4.25Å; I18-F23 HydrophobicContact CG2-CE2 3.75Å; K19-F23 PolarHBondContact O-N 3.03Å; K19-F23 VanDerWaalsContact O-N 3.11Å; F23-D25 PolarHBondContact O-N 3.08Å; F23-C26 PolarHBondContact O-N 3.45Å; F23-R27 WeakPolarHBondContact O-CA 3.35Å; F23-R27 WeakPolarHBondContact O-CB 3.45Å; F23-R27 PolarHBondContact O-N 2.93Å; F23-M35 HydrophobicContact CE1-CE 4.07Å; F23-M35 HydrophobicContact CE1-SD 4.29Å; F23-M35 HydrophobicContact CZ-CE 3.72Å; F23-M35 HydrophobicContact CZ-SD 4.12Å; F23-L54 HydrophobicContact CE1-CD2 4.34Å; F23-L54 HydrophobicContact CE2-CD2 3.95Å; F23-L54 HydrophobicContact CZ-CD2 3.47Å; F23-L54 VanDerWaalsContact CZ-CD2 3.47Å; F23-E57 HydrophobicContact CB-CB 4.02Å; F23-E57 HydrophobicContact CB-CG 4.11Å; F23-E57 HydrophobicContact CD1-CB 3.8Å; F23-E57 HydrophobicContact CD1-CG 4.46Å; F23-E57 HydrophobicContact CD2-CB 4.17Å; F23-E57 HydrophobicContact CD2-CG 3.94Å; F23-E57 HydrophobicContact CE1-CB 4.34Å; F23-E57 HydrophobicContact CG-CB 3.73Å; F23-E57 HydrophobicContact CG-CG 3.92Å; F23-V59 HydrophobicContact CD1-CG2 4.39Å; F23-V59 HydrophobicContact CE1-CG2 3.7Å; F23-L78 HydrophobicContact CD1-CD2 4.05Å; F23-L78 HydrophobicContact CE1-CD2 3.63Å |
| 24 | D | 93.8 | Very high | 92.4 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 178.1 | -70.7 | -30.6 | 0 | 0 | 0 | 112.5 | K19 C26 R27 | K19-D24 PolarHBondContact O-N 3.5Å; D24-C26 VanDerWaalsContact C-N 3.33Å; D24-C26 PolarHBondContact O-N 3.34Å; D24-R27 WeakPolarHBondContact O-CB 3.26Å; D24-R27 PolarHBondContact O-N 3.33Å; D24-R27 IonicContact OD1-NH1 3.8Å |
| 25 | D | 92.9 | Very high | 92.5 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.3 | -31.7 | 179.3 | -178.7 | 60.8 | 0 | 0 | 0 | 113.2 | T21 F23 Y109 R132 | T21-D25 WeakPolarHBondContact O-CB 3.21Å; F23-D25 PolarHBondContact O-N 3.08Å; D25-Y109 HydrophobicContact CB-CE1 4.48Å; D25-Y109 PolarHBondContact OD2-OH 3.25Å; D25-R132 IonicContact OD1-CZ 3.83Å; D25-R132 IonicContact OD1-NH2 3.81Å; D25-R132 IonicContact OD2-NE 2.8Å |
| 26 | C | 91.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -100.5 | 3 | 178 | 80.1 | 0 | 0 | 0 | 0 | 114 | V22 F23 D24 K28 K33 Y107 Y109 | V22-C26 PolarHBondContact O-N 3.11Å; V22-C26 PolarHBondContact O-SG 3.4Å; F23-C26 PolarHBondContact O-N 3.45Å; D24-C26 VanDerWaalsContact C-N 3.33Å; D24-C26 PolarHBondContact O-N 3.34Å; C26-K28 PolarHBondContact O-N 3.36Å; C26-K33 WeakPolarHBondContact O-CE 3.42Å; C26-K33 PolarHBondContact O-NZ 3.44Å; C26-Y107 HydrophobicContact CB-CD1 3.67Å; C26-Y107 HydrophobicContact CB-CE1 3.92Å; C26-Y107 HydrophobicContact CB-CG 4.05Å; C26-Y109 HydrophobicContact CB-CE2 4.33Å; C26-Y109 WeakPolarHBondContact CB-OH 3.5Å |
| 27 | R | 88.2 | Confident | 92.8 | Very high | 155 Ų | 155 | 52 Ų | 52 | 59% | 0.585 | 26% | 0.261 | S | S | * | . | trans | -65.3 | 132.8 | -173.3 | -165 | 169 | -179.6 | 170.7 | 1.2 | 111.5 | F23 D24 | F23-R27 WeakPolarHBondContact O-CA 3.35Å; F23-R27 WeakPolarHBondContact O-CB 3.45Å; F23-R27 PolarHBondContact O-N 2.93Å; D24-R27 WeakPolarHBondContact O-CB 3.26Å; D24-R27 PolarHBondContact O-N 3.33Å; D24-R27 IonicContact OD1-NH1 3.8Å | ||
| 28 | K | 87.6 | Confident | 93 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | trans | -144.7 | 124.4 | 172.2 | -70.8 | -166.1 | 174.4 | -160 | 0 | 108 | C26 G30 E31 | C26-K28 PolarHBondContact O-N 3.36Å; K28-G30 PolarHBondContact O-N 3.26Å; K28-E31 HydrophobicContact CB-CB 3.88Å; K28-E31 PolarHBondContact O-N 3.31Å; K28-E31 VanDerWaalsContact O-N 3.12Å | ||
| 29 | E | 84.2 | Confident | 93 | Very high | 193 Ų | 193 | 53.7 Ų | 53.7 | 90% | 0.902 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 133.8 | -179.6 | -68.6 | -176.5 | 170.6 | 0 | 0 | 111 | E31 | E29-E31 PolarHBondContact O-N 3.23Š|
| 30 | G | 84.7 | Confident | 93 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 83% | 0.825 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -1.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | K28 | K28-G30 PolarHBondContact O-N 3.26Š|
| 31 | E | 90.5 | Very high | 93.2 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | trans | -98.8 | 102.3 | -178.4 | -174.6 | 171.5 | -103 | 0 | 0 | 112.8 | K28 E29 K33 K76 | K28-E31 HydrophobicContact CB-CB 3.88Å; K28-E31 PolarHBondContact O-N 3.31Å; K28-E31 VanDerWaalsContact O-N 3.12Å; E29-E31 PolarHBondContact O-N 3.23Å; E31-K33 PolarHBondContact O-NZ 3.38Å; E31-K33 VanDerWaalsContact O-NZ 3.11Å; E31-K76 WeakPolarHBondContact OE1-CE 3.47Å; E31-K76 IonicContact OE1-NZ 2.63Å; E31-K76 PolarHBondContact OE1-NZ 2.94Å; E31-K76 IonicContact OE2-NZ 2.97Å; E31-K76 PolarHBondContact OE2-NZ 3.28Å | ||
| 32 | W | 93.5 | Very high | 93.3 | Very high | 136 Ų | 136 | 49 Ų | 49 | 52% | 0.515 | 25% | 0.246 | S | C | . | . | trans | -72.4 | 143.1 | 169.3 | -65.8 | 107.7 | 0 | 0 | 0 | 112.6 | L55 G58 T60 M75 | W32-L55 WeakPolarHBondContact CZ3-O 3.26Å; W32-G58 WeakPolarHBondContact CA-O 3.39Å; W32-T60 HydrophobicContact CB-CG2 3.71Å; W32-T60 HydrophobicContact CD2-CG2 3.51Å; W32-T60 HydrophobicContact CE3-CG2 3.26Å; W32-T60 HydrophobicContact CG-CG2 3.73Å; W32-T60 HydrophobicContact CZ3-CG2 4.05Å; W32-M75 VanDerWaalsContact C-CE 3.46Å; W32-M75 HydrophobicContact CB-CE 3.65Å; W32-M75 WeakPolarHBondContact O-CE 3.23Å | ||
| 33 | K | 95.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 152 | -178.2 | -57.3 | 176.5 | -164.7 | 69 | 0 | 111 | C26 E31 G58 V59 T60 Y107 | C26-K33 WeakPolarHBondContact O-CE 3.42Å; C26-K33 PolarHBondContact O-NZ 3.44Å; E31-K33 PolarHBondContact O-NZ 3.38Å; E31-K33 VanDerWaalsContact O-NZ 3.11Å; K33-G58 PolarHBondContact N-O 2.86Å; K33-V59 WeakPolarHBondContact O-CA 3.46Å; K33-T60 PolarHBondContact O-N 3.26Å; K33-T60 PolarHBondContact O-OG1 3.16Å; K33-Y107 HydrophobicContact CD-CD2 4.45Å; K33-Y107 HydrophobicContact CD-CE2 4.34Å |
| 34 | I | 95.7 | Very high | 93.4 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.7 | 168.8 | -57.1 | 174.8 | 0 | 0 | 0 | 107.1 | L36 V61 V72 M75 K76 A77 L78 Y103 | I34-L36 HydrophobicContact CB-CD2 4.33Å; I34-L36 HydrophobicContact CG2-CD2 3.91Å; I34-L36 WeakPolarHBondContact O-CD2 3.3Å; I34-V61 HydrophobicContact CG2-CB 4.28Å; I34-V72 HydrophobicContact CD1-CB 3.57Å; I34-V72 HydrophobicContact CD1-CG1 3.85Å; I34-V72 HydrophobicContact CD1-CG2 3.73Å; I34-M75 HydrophobicContact CD1-CB 4.15Å; I34-M75 HydrophobicContact CD1-SD 4.07Å; I34-M75 HydrophobicContact CG1-CB 4.29Å; I34-M75 HydrophobicContact CG1-CE 3.99Å; I34-M75 HydrophobicContact CG1-SD 3.94Å; I34-K76 PolarHBondContact N-O 2.98Å; I34-K76 VanDerWaalsContact N-O 3.12Å; I34-A77 CarbonylContact O-C 3.53Å; I34-A77 WeakPolarHBondContact O-CA 3.41Å; I34-L78 PolarHBondContact O-N 3.17Å; I34-Y103 HydrophobicContact CD1-CD1 4.28Å; I34-Y103 HydrophobicContact CD1-CE1 3.98Å |
| 35 | M | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.8 | 179.1 | -168.8 | 175.4 | -159.1 | 0 | 0 | 110.8 | F23 L37 L45 L54 V59 V61 I62 E63 L78 F80 | F23-M35 HydrophobicContact CE1-CE 4.07Å; F23-M35 HydrophobicContact CE1-SD 4.29Å; F23-M35 HydrophobicContact CZ-CE 3.72Å; F23-M35 HydrophobicContact CZ-SD 4.12Å; M35-L37 HydrophobicContact CE-CD2 3.82Å; M35-L37 HydrophobicContact CG-CD2 3.86Å; M35-L37 HydrophobicContact CG-CG 4.32Å; M35-L37 HydrophobicContact SD-CD2 4.06Å; M35-L45 HydrophobicContact CE-CD1 3.46Å; M35-L45 VanDerWaalsContact CE-CD1 3.46Å; M35-L45 HydrophobicContact SD-CD1 3.75Å; M35-L54 HydrophobicContact SD-CD2 4.35Å; M35-V59 HydrophobicContact CB-CG1 3.5Å; M35-V59 VanDerWaalsContact CB-CG1 3.5Å; M35-V59 HydrophobicContact CB-CG2 4.26Å; M35-V59 HydrophobicContact SD-CG1 4.43Å; M35-V59 HydrophobicContact SD-CG2 4.3Å; M35-V61 PolarHBondContact N-O 2.92Å; M35-I62 HydrophobicContact CB-CG1 4.47Å; M35-I62 CarbonylContact O-C 3.55Å; M35-I62 WeakPolarHBondContact O-CA 3.35Å; M35-E63 PolarHBondContact O-N 3.47Å; M35-L78 CarbonylContact C-O 3.14Å; M35-L78 WeakPolarHBondContact CA-O 3.45Å; M35-L78 HydrophobicContact CE-CD2 4.06Å; M35-L78 HydrophobicContact CG-CD2 4.2Å; M35-L78 HydrophobicContact CG-CG 4.37Å; M35-L78 HydrophobicContact SD-CD2 4.4Å; M35-F80 HydrophobicContact CE-CB 3.76Å; M35-F80 HydrophobicContact CE-CD1 3.99Å; M35-F80 HydrophobicContact CE-CG 4.26Å |
| 36 | L | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121 | -176.3 | -69.4 | -59.1 | 0 | 0 | 0 | 108 | I34 E63 A77 L78 Y79 F80 Y103 | I34-L36 HydrophobicContact CB-CD2 4.33Å; I34-L36 HydrophobicContact CG2-CD2 3.91Å; I34-L36 WeakPolarHBondContact O-CD2 3.3Å; L36-E63 WeakPolarHBondContact CA-O 3.41Å; L36-E63 HydrophobicContact CD1-CB 3.91Å; L36-A77 HydrophobicContact CD2-CB 3.59Å; L36-L78 PolarHBondContact N-O 3.45Å; L36-Y79 HydrophobicContact CB-CD1 3.57Å; L36-Y79 HydrophobicContact CB-CE1 3.8Å; L36-Y79 HydrophobicContact CB-CG 4.16Å; L36-Y79 HydrophobicContact CG-CD1 4.03Å; L36-Y79 HydrophobicContact CG-CE1 3.73Å; L36-F80 PolarHBondContact O-N 3.28Å; L36-Y103 HydrophobicContact CD2-CE2 4.43Å |
| 37 | L | 97.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.7 | -175.7 | -54.7 | 179.3 | 0 | 0 | 0 | 110.3 | M35 T42 L45 I62 E63 N64 I65 F80 | M35-L37 HydrophobicContact CE-CD2 3.82Å; M35-L37 HydrophobicContact CG-CD2 3.86Å; M35-L37 HydrophobicContact CG-CG 4.32Å; M35-L37 HydrophobicContact SD-CD2 4.06Å; L37-T42 WeakPolarHBondContact CB-OG1 3.47Å; L37-L45 HydrophobicContact CD1-CD1 3.68Å; L37-L45 HydrophobicContact CD2-CD1 3.65Å; L37-L45 HydrophobicContact CG-CD1 4.32Å; L37-I62 HydrophobicContact CD1-CG2 3.39Å; L37-I62 HydrophobicContact CG-CG2 3.92Å; L37-E63 PolarHBondContact N-O 2.89Å; L37-N64 CarbonylContact O-C 3.54Å; L37-N64 WeakPolarHBondContact O-CA 3.5Å; L37-I65 PolarHBondContact O-N 3.22Å; L37-F80 HydrophobicContact CD2-CB 3.95Å; L37-F80 HydrophobicContact CD2-CD1 4.08Å; L37-F80 HydrophobicContact CD2-CG 4.49Å |
| 38 | D | 97.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | trans | -90.2 | -178.7 | 159.9 | 68.1 | 11.1 | 0 | 0 | 0 | 111.2 | F40 T41 T42 I65 Y66 I81 S82 S87 | D38-F40 VanDerWaalsContact C-N 3.3Å; D38-F40 PolarHBondContact O-N 3.34Å; D38-F40 PolarHBondContact OD1-N 2.85Å; D38-T41 PolarHBondContact N-OG1 2.68Å; D38-T41 PolarHBondContact O-OG1 3.25Å; D38-T41 WeakPolarHBondContact OD1-CB 3.31Å; D38-T41 WeakPolarHBondContact OD1-CG2 3.26Å; D38-T41 PolarHBondContact OD1-N 2.91Å; D38-T41 PolarHBondContact OD1-OG1 2.92Å; D38-T42 VanDerWaalsContact O-CB 3.29Å; D38-T42 WeakPolarHBondContact O-CB 3.41Å; D38-T42 PolarHBondContact O-N 2.75Å; D38-T42 PolarHBondContact O-OG1 3.35Å; D38-I65 HydrophobicContact CB-CG2 3.92Å; D38-Y66 HydrophobicContact CB-CE2 4.01Å; D38-I81 HydrophobicContact CB-CG2 4.38Å; D38-S82 WeakPolarHBondContact OD2-CA 3.01Å; D38-S82 WeakPolarHBondContact OD2-CB 3.26Å; D38-S82 PolarHBondContact OD2-N 3.04Å; D38-S82 PolarHBondContact OD2-OG 2.61Å; D38-S87 PolarHBondContact OD2-OG 2.86Å | ||
| 39 | D | 95.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -36.6 | -174.4 | -58.8 | -29.8 | 0 | 0 | 0 | 111.8 | R43 N64 Y66 | D39-R43 PolarHBondContact O-N 3.4Å; D39-R43 PolarHBondContact O-NH1 3.02Å; D39-N64 PolarHBondContact OD1-ND2 3.44Å; D39-Y66 WeakPolarHBondContact OD2-CE2 3.31Å |
| 40 | F | 95.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -52.4 | 177.9 | 170.5 | -99 | 0 | 0 | 0 | 111.5 | D38 T42 R43 L44 S82 T111 I141 | D38-F40 VanDerWaalsContact C-N 3.3Å; D38-F40 PolarHBondContact O-N 3.34Å; D38-F40 PolarHBondContact OD1-N 2.85Å; F40-T42 VanDerWaalsContact C-N 3.26Å; F40-T42 PolarHBondContact O-N 3.2Å; F40-R43 WeakPolarHBondContact O-CB 3.39Å; F40-R43 PolarHBondContact O-N 3.3Å; F40-L44 HydrophobicContact CE1-CD2 4.07Å; F40-L44 HydrophobicContact CZ-CD2 4.41Å; F40-L44 PolarHBondContact O-N 3.11Å; F40-S82 WeakPolarHBondContact CD1-OG 3.37Å; F40-T111 HydrophobicContact CD1-CG2 3.98Å; F40-T111 HydrophobicContact CE1-CG2 3.79Å; F40-I141 HydrophobicContact CD2-CD1 4Å; F40-I141 HydrophobicContact CE2-CD1 3.5Å; F40-I141 VanDerWaalsContact CE2-CD1 3.5Å; F40-I141 HydrophobicContact CE2-CG1 3.99Å; F40-I141 HydrophobicContact CZ-CD1 3.99Å |
| 41 | T | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -29.4 | -179.7 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | D38 L44 L45 F80 T111 | D38-T41 PolarHBondContact N-OG1 2.68Å; D38-T41 PolarHBondContact O-OG1 3.25Å; D38-T41 WeakPolarHBondContact OD1-CB 3.31Å; D38-T41 WeakPolarHBondContact OD1-CG2 3.26Å; D38-T41 PolarHBondContact OD1-N 2.91Å; D38-T41 PolarHBondContact OD1-OG1 2.92Å; T41-L44 PolarHBondContact O-N 2.88Å; T41-L45 PolarHBondContact O-N 3.33Å; T41-F80 WeakPolarHBondContact CB-O 3.4Å; T41-F80 HydrophobicContact CG2-CD1 3.96Å; T41-F80 HydrophobicContact CG2-CD2 4.38Å; T41-F80 HydrophobicContact CG2-CE1 4.03Å; T41-F80 HydrophobicContact CG2-CE2 4.41Å; T41-F80 HydrophobicContact CG2-CG 4.15Å; T41-F80 HydrophobicContact CG2-CZ 4.26Å; T41-F80 WeakPolarHBondContact CG2-O 3.31Å; T41-F80 PolarHBondContact OG1-O 3.48Å; T41-T111 HydrophobicContact CG2-CG2 3.29Å |
| 42 | T | 95.9 | Very high | 94 | Very high | 57 Ų | 57 | 39 Ų | 39 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 169.1 | -58.9 | 0 | 0 | 0 | 0 | 111 | L37 D38 F40 S46 | L37-T42 WeakPolarHBondContact CB-OG1 3.47Å; D38-T42 VanDerWaalsContact O-CB 3.29Å; D38-T42 WeakPolarHBondContact O-CB 3.41Å; D38-T42 PolarHBondContact O-N 2.75Å; D38-T42 PolarHBondContact O-OG1 3.35Å; F40-T42 VanDerWaalsContact C-N 3.26Å; F40-T42 PolarHBondContact O-N 3.2Å; T42-S46 WeakPolarHBondContact O-CB 3.3Å; T42-S46 PolarHBondContact O-N 3.03Å; T42-S46 PolarHBondContact O-OG 3.41Å |
| 43 | R | 94.2 | Very high | 93.9 | Very high | 107 Ų | 107 | 34.5 Ų | 34.5 | 40% | 0.404 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.4 | -71.3 | -170.4 | -65.4 | -79.4 | 8.8 | 111.4 | D39 F40 L45 S46 S47 I141 D151 | D39-R43 PolarHBondContact O-N 3.4Å; D39-R43 PolarHBondContact O-NH1 3.02Å; F40-R43 WeakPolarHBondContact O-CB 3.39Å; F40-R43 PolarHBondContact O-N 3.3Å; R43-L45 PolarHBondContact O-N 3.19Å; R43-S46 WeakPolarHBondContact CA-OG 3.3Å; R43-S46 PolarHBondContact O-N 3.15Å; R43-S46 PolarHBondContact O-OG 3.31Å; R43-S47 PolarHBondContact O-N 2.81Å; R43-I141 HydrophobicContact CB-CD1 4.18Å; R43-D151 IonicContact CZ-OD2 2.81Å; R43-D151 IonicContact NE-OD2 3.75Å; R43-D151 PolarHBondContact NE-OD2 2.87Å; R43-D151 IonicContact NH2-OD2 3.16Å; R43-D151 PolarHBondContact NH2-OD2 3.27Å |
| 44 | L | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.7 | -51.8 | 178.3 | 177.9 | 56.9 | 0 | 0 | 0 | 111.8 | V14 I18 F40 T41 S47 C48 F80 I138 F140 I141 P142 | V14-L44 HydrophobicContact CG1-CD1 3.82Å; I18-L44 HydrophobicContact CD1-CD2 4.32Å; I18-L44 HydrophobicContact CD1-CG 4.27Å; F40-L44 HydrophobicContact CE1-CD2 4.07Å; F40-L44 HydrophobicContact CZ-CD2 4.41Å; F40-L44 PolarHBondContact O-N 3.11Å; T41-L44 PolarHBondContact O-N 2.88Å; L44-S47 PolarHBondContact O-N 3.43Å; L44-S47 PolarHBondContact O-OG 3.16Å; L44-C48 PolarHBondContact O-SG 2.76Å; L44-F80 HydrophobicContact CD2-CE1 4Å; L44-F80 HydrophobicContact CD2-CZ 3.76Å; L44-I138 HydrophobicContact CD1-CG2 4.11Å; L44-I138 HydrophobicContact CD2-CB 4.5Å; L44-I138 HydrophobicContact CD2-CG2 3.78Å; L44-F140 WeakPolarHBondContact CD1-O 3.16Å; L44-I141 HydrophobicContact CB-CD1 3.81Å; L44-I141 HydrophobicContact CD1-CD1 4.32Å; L44-P142 HydrophobicContact CD1-CG 4.5Å |
| 45 | L | 94.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -43 | 178.5 | -73.6 | -179 | 0 | 0 | 0 | 112.1 | W15 I18 M35 L37 T41 R43 S47 C48 C49 F80 | W15-L45 HydrophobicContact CZ3-CD2 4.43Å; I18-L45 HydrophobicContact CD1-CD2 3.99Å; I18-L45 HydrophobicContact CG2-CD2 4.2Å; M35-L45 HydrophobicContact CE-CD1 3.46Å; M35-L45 VanDerWaalsContact CE-CD1 3.46Å; M35-L45 HydrophobicContact SD-CD1 3.75Å; L37-L45 HydrophobicContact CD1-CD1 3.68Å; L37-L45 HydrophobicContact CD2-CD1 3.65Å; L37-L45 HydrophobicContact CG-CD1 4.32Å; T41-L45 PolarHBondContact O-N 3.33Å; R43-L45 PolarHBondContact O-N 3.19Å; L45-S47 PolarHBondContact O-N 2.72Å; L45-S47 VanDerWaalsContact O-N 3.13Å; L45-C48 PolarHBondContact O-N 3.21Å; L45-C48 VanDerWaalsContact O-N 3.12Å; L45-C49 PolarHBondContact O-N 3.15Å; L45-C49 PolarHBondContact O-SG 3.1Å; L45-F80 HydrophobicContact CD1-CD1 4.13Å; L45-F80 HydrophobicContact CD2-CD1 4.4Å; L45-F80 HydrophobicContact CD2-CE1 4.12Å; L45-F80 HydrophobicContact CG-CD1 4.2Å; L45-F80 HydrophobicContact CG-CE1 4.13Å |
| 46 | S | 91.8 | Very high | 93.3 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 63% | 0.629 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.9 | -26 | 177.2 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | T42 R43 | T42-S46 WeakPolarHBondContact O-CB 3.3Å; T42-S46 PolarHBondContact O-N 3.03Å; T42-S46 PolarHBondContact O-OG 3.41Å; R43-S46 WeakPolarHBondContact CA-OG 3.3Å; R43-S46 PolarHBondContact O-N 3.15Å; R43-S46 PolarHBondContact O-OG 3.31Å |
| 47 | S | 91.6 | Very high | 93 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.6 | -23.1 | 179.9 | 76 | 0 | 0 | 0 | 0 | 114 | K11 R43 L44 L45 P142 | K11-S47 WeakPolarHBondContact CD-O 3.34Å; K11-S47 WeakPolarHBondContact CE-O 3.45Å; K11-S47 PolarHBondContact NZ-O 3.38Å; R43-S47 PolarHBondContact O-N 2.81Å; L44-S47 PolarHBondContact O-N 3.43Å; L44-S47 PolarHBondContact O-OG 3.16Å; L45-S47 PolarHBondContact O-N 2.72Å; L45-S47 VanDerWaalsContact O-N 3.13Å; S47-P142 WeakPolarHBondContact OG-CD 3.21Å; S47-P142 WeakPolarHBondContact OG-CG 3.25Å |
| 48 | C | 90.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -127.9 | -9 | -168.8 | 66.4 | 0 | 0 | 0 | 0 | 115.4 | K11 V14 W15 L44 L45 P142 | K11-C48 HydrophobicContact CB-CB 4.46Å; V14-C48 HydrophobicContact CG1-CB 4.47Å; W15-C48 HydrophobicContact CB-CB 4.15Å; L44-C48 PolarHBondContact O-SG 2.76Å; L45-C48 PolarHBondContact O-N 3.21Å; L45-C48 VanDerWaalsContact O-N 3.12Å; C48-P142 HydrophobicContact CB-CG 4.45Å |
| 49 | C | 89.9 | Confident | 92.5 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 11% | 0.108 | 25% | 0.245 | C | C | . | . | trans | -150.7 | 162.5 | 178.4 | 70.5 | 0 | 0 | 0 | 0 | 113 | W15 L45 D53 | W15-C49 HydrophobicContact CD2-CB 3.8Å; W15-C49 HydrophobicContact CE3-CB 3.46Å; W15-C49 VanDerWaalsContact CE3-CB 3.46Å; W15-C49 HydrophobicContact CH2-CB 3.88Å; W15-C49 HydrophobicContact CZ2-CB 4.19Å; W15-C49 HydrophobicContact CZ3-CB 3.49Å; W15-C49 VanDerWaalsContact CZ3-CB 3.49Å; W15-C49 VanDerWaalsContact CZ3-SG 3.59Å; L45-C49 PolarHBondContact O-N 3.15Å; L45-C49 PolarHBondContact O-SG 3.1Å; C49-D53 HydrophobicContact CB-CB 4.26Å | ||
| 50 | K | 88.7 | Confident | 92.4 | Very high | 95 Ų | 95 | 45 Ų | 45 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | trans | -104.1 | 165.4 | 175.4 | -69 | 175.1 | 179.8 | 151.9 | 0 | 111.4 | T52 D53 L54 D285 | K50-T52 WeakPolarHBondContact CB-OG1 3.34Å; K50-T52 PolarHBondContact O-N 2.95Å; K50-D53 PolarHBondContact N-OD2 3.41Å; K50-D53 WeakPolarHBondContact O-CB 3.29Å; K50-D53 PolarHBondContact O-N 3.28Å; K50-L54 PolarHBondContact O-N 3.11Å; K50-D285 WeakPolarHBondContact CE-OD2 3.44Å; K50-D285 IonicContact NZ-OD2 2.74Å; K50-D285 PolarHBondContact NZ-OD2 2.71Å | ||
| 51 | M | 88.8 | Confident | 92.3 | Very high | 84 Ų | 84 | 46.9 Ų | 46.9 | 41% | 0.414 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.9 | -32.4 | 171.9 | -170.4 | 64 | -167.4 | 0 | 0 | 112.5 | D53 L54 L55 I62 | M51-D53 VanDerWaalsContact C-N 3.31Å; M51-D53 PolarHBondContact O-N 3.44Å; M51-L54 PolarHBondContact O-N 3.32Å; M51-L55 HydrophobicContact CE-CD2 4.12Å; M51-L55 HydrophobicContact CE-CG 4.13Å; M51-L55 HydrophobicContact CG-CD1 4.29Å; M51-L55 HydrophobicContact CG-CG 4.49Å; M51-L55 VanDerWaalsContact O-CG 3.28Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 3.27Å; M51-I62 HydrophobicContact SD-CD1 3.65Å; M51-I62 HydrophobicContact SD-CG1 4.33Å |
| 52 | T | 90.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 174.9 | 47.7 | 0 | 0 | 0 | 0 | 111.7 | K50 L54 L55 E56 | K50-T52 WeakPolarHBondContact CB-OG1 3.34Å; K50-T52 PolarHBondContact O-N 2.95Å; T52-L54 VanDerWaalsContact C-N 3.35Å; T52-L54 PolarHBondContact O-N 3.02Å; T52-L55 PolarHBondContact O-N 3.35Å; T52-E56 WeakPolarHBondContact O-CG 3.5Å; T52-E56 PolarHBondContact O-N 2.85Å; T52-E56 VanDerWaalsContact O-N 3.1Å |
| 53 | D | 91.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | -178.3 | -45.8 | -29.4 | 0 | 0 | 0 | 109.9 | W15 C49 K50 M51 E56 E57 | W15-D53 HydrophobicContact CH2-CB 4.22Å; W15-D53 HydrophobicContact CZ2-CB 3.75Å; C49-D53 HydrophobicContact CB-CB 4.26Å; K50-D53 PolarHBondContact N-OD2 3.41Å; K50-D53 WeakPolarHBondContact O-CB 3.29Å; K50-D53 PolarHBondContact O-N 3.28Å; M51-D53 VanDerWaalsContact C-N 3.31Å; M51-D53 PolarHBondContact O-N 3.44Å; D53-E56 WeakPolarHBondContact O-CB 3.41Å; D53-E56 PolarHBondContact O-N 3.43Å; D53-E57 WeakPolarHBondContact O-CG 3.47Å; D53-E57 PolarHBondContact O-N 3.44Å |
| 54 | L | 92.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.8 | -36.8 | 176.9 | -64.1 | 174.4 | 0 | 0 | 0 | 112.8 | W15 F23 M35 K50 M51 T52 E56 E57 G58 V59 I62 | W15-L54 HydrophobicContact CH2-CD2 4.02Å; W15-L54 HydrophobicContact CZ3-CD2 4.17Å; F23-L54 HydrophobicContact CE1-CD2 4.34Å; F23-L54 HydrophobicContact CE2-CD2 3.95Å; F23-L54 HydrophobicContact CZ-CD2 3.47Å; F23-L54 VanDerWaalsContact CZ-CD2 3.47Å; M35-L54 HydrophobicContact SD-CD2 4.35Å; K50-L54 PolarHBondContact O-N 3.11Å; M51-L54 PolarHBondContact O-N 3.32Å; T52-L54 VanDerWaalsContact C-N 3.35Å; T52-L54 PolarHBondContact O-N 3.02Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E57 PolarHBondContact O-N 3.15Å; L54-G58 PolarHBondContact O-N 3.15Å; L54-V59 HydrophobicContact CB-CB 4.28Å; L54-V59 WeakPolarHBondContact O-CB 3.17Å; L54-V59 PolarHBondContact O-N 3.3Å; L54-I62 HydrophobicContact CD1-CD1 3.34Å; L54-I62 HydrophobicContact CD1-CG1 4.37Å |
| 55 | L | 92 | Very high | 92.4 | Very high | 76 Ų | 76 | 46.3 Ų | 46.3 | 40% | 0.398 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 173.6 | -73.5 | 166.3 | 0 | 0 | 0 | 111.4 | W32 M51 T52 E57 G58 V59 | W32-L55 WeakPolarHBondContact CZ3-O 3.26Å; M51-L55 HydrophobicContact CE-CD2 4.12Å; M51-L55 HydrophobicContact CE-CG 4.13Å; M51-L55 HydrophobicContact CG-CD1 4.29Å; M51-L55 HydrophobicContact CG-CG 4.49Å; M51-L55 VanDerWaalsContact O-CG 3.28Å; M51-L55 WeakPolarHBondContact O-CG 3.44Å; M51-L55 PolarHBondContact O-N 3.27Å; T52-L55 PolarHBondContact O-N 3.35Å; L55-E57 VanDerWaalsContact C-N 3.26Å; L55-E57 PolarHBondContact O-N 3.02Å; L55-G58 PolarHBondContact O-N 3.2Å; L55-G58 VanDerWaalsContact O-N 3.12Å; L55-V59 WeakPolarHBondContact CD2-O 3.46Å |
| 56 | E | 91.1 | Very high | 92.5 | Very high | 144 Ų | 144 | 48.7 Ų | 48.7 | 67% | 0.673 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.1 | -31.8 | 175.7 | -71.7 | 175.6 | -170.6 | 0 | 0 | 112.5 | T52 D53 L54 G58 | T52-E56 WeakPolarHBondContact O-CG 3.5Å; T52-E56 PolarHBondContact O-N 2.85Å; T52-E56 VanDerWaalsContact O-N 3.1Å; D53-E56 WeakPolarHBondContact O-CB 3.41Å; D53-E56 PolarHBondContact O-N 3.43Å; L54-E56 VanDerWaalsContact C-N 3.33Å; E56-G58 VanDerWaalsContact C-N 3.26Å; E56-G58 PolarHBondContact O-N 2.98Å |
| 57 | E | 91.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 6.9 | 175.8 | -59.6 | -53 | 148.9 | 0 | 0 | 114.1 | W15 K19 F23 D53 L54 L55 | W15-E57 HydrophobicContact CH2-CG 4.39Å; W15-E57 HydrophobicContact CZ2-CG 4.43Å; K19-E57 WeakPolarHBondContact CE-OE1 3.29Å; K19-E57 IonicContact NZ-OE1 3.97Å; K19-E57 PolarHBondContact NZ-OE1 3.19Å; F23-E57 HydrophobicContact CB-CB 4.02Å; F23-E57 HydrophobicContact CB-CG 4.11Å; F23-E57 HydrophobicContact CD1-CB 3.8Å; F23-E57 HydrophobicContact CD1-CG 4.46Å; F23-E57 HydrophobicContact CD2-CB 4.17Å; F23-E57 HydrophobicContact CD2-CG 3.94Å; F23-E57 HydrophobicContact CE1-CB 4.34Å; F23-E57 HydrophobicContact CG-CB 3.73Å; F23-E57 HydrophobicContact CG-CG 3.92Å; D53-E57 WeakPolarHBondContact O-CG 3.47Å; D53-E57 PolarHBondContact O-N 3.44Å; L54-E57 PolarHBondContact O-N 3.15Å; L55-E57 VanDerWaalsContact C-N 3.26Å; L55-E57 PolarHBondContact O-N 3.02Å |
| 58 | G | 92.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 21 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W32 K33 L54 L55 E56 | W32-G58 WeakPolarHBondContact CA-O 3.39Å; K33-G58 PolarHBondContact N-O 2.86Å; L54-G58 PolarHBondContact O-N 3.15Å; L55-G58 PolarHBondContact O-N 3.2Å; L55-G58 VanDerWaalsContact O-N 3.12Å; E56-G58 VanDerWaalsContact C-N 3.26Å; E56-G58 PolarHBondContact O-N 2.98Å |
| 59 | V | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.1 | 172.2 | 176.9 | 0 | 0 | 0 | 0 | 110 | F23 K33 M35 L54 L55 I62 L78 | F23-V59 HydrophobicContact CD1-CG2 4.39Å; F23-V59 HydrophobicContact CE1-CG2 3.7Å; K33-V59 WeakPolarHBondContact O-CA 3.46Å; M35-V59 HydrophobicContact CB-CG1 3.5Å; M35-V59 VanDerWaalsContact CB-CG1 3.5Å; M35-V59 HydrophobicContact CB-CG2 4.26Å; M35-V59 HydrophobicContact SD-CG1 4.43Å; M35-V59 HydrophobicContact SD-CG2 4.3Å; L54-V59 HydrophobicContact CB-CB 4.28Å; L54-V59 WeakPolarHBondContact O-CB 3.17Å; L54-V59 PolarHBondContact O-N 3.3Å; L55-V59 WeakPolarHBondContact CD2-O 3.46Å; V59-I62 HydrophobicContact CG1-CG1 4.15Å; V59-L78 HydrophobicContact CG2-CD2 4.44Å |
| 60 | T | 91.7 | Very high | 93 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -35.2 | -179.9 | 51 | 0 | 0 | 0 | 0 | 113.5 | W32 K33 M75 | W32-T60 HydrophobicContact CB-CG2 3.71Å; W32-T60 HydrophobicContact CD2-CG2 3.51Å; W32-T60 HydrophobicContact CE3-CG2 3.26Å; W32-T60 HydrophobicContact CG-CG2 3.73Å; W32-T60 HydrophobicContact CZ3-CG2 4.05Å; K33-T60 PolarHBondContact O-N 3.26Å; K33-T60 PolarHBondContact O-OG1 3.16Å; T60-M75 WeakPolarHBondContact OG1-CE 3.41Å |
| 61 | V | 93.1 | Very high | 93.2 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 39% | 0.394 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 138.9 | -171 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | I34 M35 E63 | I34-V61 HydrophobicContact CG2-CB 4.28Å; M35-V61 PolarHBondContact N-O 2.92Å; V61-E63 HydrophobicContact CG1-CG 3.85Å |
| 62 | I | 95 | Very high | 93.4 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 33% | 0.328 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.8 | 173.3 | -56.3 | 170.3 | 0 | 0 | 0 | 107.7 | M35 L37 M51 L54 V59 | M35-I62 HydrophobicContact CB-CG1 4.47Å; M35-I62 CarbonylContact O-C 3.55Å; M35-I62 WeakPolarHBondContact O-CA 3.35Å; L37-I62 HydrophobicContact CD1-CG2 3.39Å; L37-I62 HydrophobicContact CG-CG2 3.92Å; M51-I62 HydrophobicContact SD-CD1 3.65Å; M51-I62 HydrophobicContact SD-CG1 4.33Å; L54-I62 HydrophobicContact CD1-CD1 3.34Å; L54-I62 HydrophobicContact CD1-CG1 4.37Å; V59-I62 HydrophobicContact CG1-CG1 4.15Å |
| 63 | E | 96.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 63 Ų | 63 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152 | 175.7 | -59.1 | -168.7 | 111.4 | 0 | 0 | 111.8 | M35 L36 L37 V61 R69 | M35-E63 PolarHBondContact O-N 3.47Å; L36-E63 WeakPolarHBondContact CA-O 3.41Å; L36-E63 HydrophobicContact CD1-CB 3.91Å; L37-E63 PolarHBondContact N-O 2.89Å; V61-E63 HydrophobicContact CG1-CG 3.85Å; E63-R69 HydrophobicContact CB-CG 4.21Å; E63-R69 WeakPolarHBondContact OE2-CD 3.31Å; E63-R69 WeakPolarHBondContact OE2-CG 3.45Å |
| 64 | N | 97 | Very high | 93.5 | Very high | 33 Ų | 33 | 67.7 Ų | 67.7 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.6 | 174 | -175.6 | -52.6 | 0 | 0 | 0 | 110.1 | L37 D39 Y66 K67 R69 | L37-N64 CarbonylContact O-C 3.54Å; L37-N64 WeakPolarHBondContact O-CA 3.5Å; D39-N64 PolarHBondContact OD1-ND2 3.44Å; N64-Y66 PolarHBondContact O-N 2.96Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.38Å; N64-Y66 WeakPolarHBondContact OD1-CD2 3.41Å; N64-Y66 PolarHBondContact OD1-N 2.82Å; N64-K67 HydrophobicContact CB-CD 4.17Å; N64-K67 HydrophobicContact CB-CG 4.11Å; N64-K67 PolarHBondContact O-N 2.91Å; N64-R69 PolarHBondContact O-NH1 3.28Å |
| 65 | I | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.7 | -177.3 | -163.6 | 174.6 | 0 | 0 | 0 | 113.6 | L37 D38 R69 Y79 I81 S87 C90 F91 | L37-I65 PolarHBondContact O-N 3.22Å; D38-I65 HydrophobicContact CB-CG2 3.92Å; I65-R69 PolarHBondContact O-NH1 3.26Å; I65-R69 PolarHBondContact O-NH2 3.01Å; I65-Y79 HydrophobicContact CD1-CD1 3.87Å; I65-Y79 HydrophobicContact CD1-CE1 4.06Å; I65-Y79 HydrophobicContact CG1-CE1 4.44Å; I65-I81 HydrophobicContact CD1-CD1 4.1Å; I65-I81 HydrophobicContact CD1-CG2 3.96Å; I65-S87 WeakPolarHBondContact CD1-O 3.33Å; I65-C90 HydrophobicContact CD1-CB 4.23Å; I65-C90 HydrophobicContact CG1-CB 3.83Å; I65-F91 HydrophobicContact CD1-CB 4.15Å |
| 66 | Y | 96.6 | Very high | 93.7 | Very high | 55 Ų | 55 | 66.5 Ų | 66.5 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -17.2 | 178.8 | -52.2 | -46.3 | 0 | 0 | 0 | 114 | D38 D39 N64 K86 S87 | D38-Y66 HydrophobicContact CB-CE2 4.01Å; D39-Y66 WeakPolarHBondContact OD2-CE2 3.31Å; N64-Y66 PolarHBondContact O-N 2.96Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.38Å; N64-Y66 WeakPolarHBondContact OD1-CD2 3.41Å; N64-Y66 PolarHBondContact OD1-N 2.82Å; Y66-K86 HydrophobicContact CD1-CD 4.13Å; Y66-K86 HydrophobicContact CD1-CG 4.07Å; Y66-K86 HydrophobicContact CE1-CB 4.3Å; Y66-K86 HydrophobicContact CE1-CD 3.7Å; Y66-K86 HydrophobicContact CE1-CG 3.61Å; Y66-K86 HydrophobicContact CE2-CD 4.49Å; Y66-S87 PolarHBondContact OH-OG 2.94Å |
| 67 | K | 95.4 | Very high | 94 | Very high | 146 Ų | 146 | 59.7 Ų | 59.7 | 64% | 0.635 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -77.9 | 159.1 | 178.1 | -68.8 | -173.9 | 178.2 | -178.6 | 0 | 111.6 | N64 R69 | N64-K67 HydrophobicContact CB-CD 4.17Å; N64-K67 HydrophobicContact CB-CG 4.11Å; N64-K67 PolarHBondContact O-N 2.91Å; K67-R69 PolarHBondContact O-NH1 3.25Å |
| 68 | N | 91.4 | Very high | 94.3 | Very high | 154 Ų | 154 | 58.7 Ų | 58.7 | 82% | 0.824 | 29% | 0.291 | S | S | * | . | trans | -76.7 | 132.4 | 165 | -166.3 | 21.7 | 0 | 0 | 0 | 109 | K102 | N68-K102 PolarHBondContact OD1-NZ 3.02Š| ||
| 69 | R | 94.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 58 Ų | 58 | 4% | 0.038 | 28% | 0.284 | C | S | . | . | trans | -125.9 | 148.9 | -172.5 | -61.8 | 169.3 | -65.7 | -79.8 | 1.8 | 110.4 | E63 N64 I65 K67 D94 K102 Y103 | E63-R69 HydrophobicContact CB-CG 4.21Å; E63-R69 WeakPolarHBondContact OE2-CD 3.31Å; E63-R69 WeakPolarHBondContact OE2-CG 3.45Å; N64-R69 PolarHBondContact O-NH1 3.28Å; I65-R69 PolarHBondContact O-NH1 3.26Å; I65-R69 PolarHBondContact O-NH2 3.01Å; K67-R69 PolarHBondContact O-NH1 3.25Å; R69-D94 IonicContact CZ-OD1 2.73Å; R69-D94 IonicContact CZ-OD2 3.59Å; R69-D94 IonicContact NE-OD2 3.35Å; R69-D94 VanDerWaalsContact NH2-CG 3.27Å; R69-D94 IonicContact NH2-OD1 3.47Å; R69-D94 PolarHBondContact NH2-OD1 3.17Å; R69-D94 IonicContact NH2-OD2 2.58Å; R69-D94 PolarHBondContact NH2-OD2 2.78Å; R69-K102 PolarHBondContact O-NZ 3Å; R69-Y103 WeakPolarHBondContact CD-OH 3.31Å; R69-Y103 PolarHBondContact NE-OH 3.18Å | ||
| 70 | E | 91.9 | Very high | 94.7 | Very high | 161 Ų | 161 | 58 Ų | 58 | 75% | 0.752 | 28% | 0.283 | S | S | * | . | trans | -73.7 | 138.7 | 175.4 | -65.7 | -170.9 | 164.5 | 0 | 0 | 111.4 | V72 | E70-V72 PolarHBondContact O-N 2.71Š| ||
| 71 | P | 92.6 | Very high | 95 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 41% | 0.409 | 27% | 0.27 | S | S | . | . | trans | -65.1 | 120.1 | 174.5 | -24.8 | 36.1 | 0 | 0 | 0 | 112.8 | R73 K102 | P71-R73 HydrophobicContact CB-CG 4.38Å; P71-K102 CarbonylContact C-O 3.42Å; P71-K102 HydrophobicContact CG-CG 4.43Å | ||
| 72 | V | 93.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 53.3 Ų | 53.3 | 21% | 0.206 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -114.2 | 73.4 | 173.9 | -166.9 | 0 | 0 | 0 | 0 | 110.1 | I34 E70 Q74 M75 K102 Y103 | I34-V72 HydrophobicContact CD1-CB 3.57Å; I34-V72 HydrophobicContact CD1-CG1 3.85Å; I34-V72 HydrophobicContact CD1-CG2 3.73Å; E70-V72 PolarHBondContact O-N 2.71Å; V72-Q74 HydrophobicContact CG1-CG 4.44Å; V72-Q74 VanDerWaalsContact CG1-NE2 3.29Å; V72-Q74 PolarHBondContact O-N 3.19Å; V72-Q74 VanDerWaalsContact O-N 3.16Å; V72-M75 HydrophobicContact CG1-CB 4.03Å; V72-M75 HydrophobicContact CG1-CG 3.86Å; V72-M75 HydrophobicContact CG1-SD 4.01Å; V72-M75 PolarHBondContact O-N 3.11Å; V72-M75 VanDerWaalsContact O-N 3.15Å; V72-K102 CarbonylContact C-O 3.6Å; V72-K102 PolarHBondContact N-O 3.4Å; V72-Y103 HydrophobicContact CB-CD1 4.48Å |
| 73 | R | 92 | Very high | 95.1 | Very high | 133 Ų | 133 | 51.3 Ų | 51.3 | 50% | 0.502 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18 | -167.2 | -62.8 | -172.4 | 179.8 | 91.4 | -4.7 | 115.1 | P71 K101 K102 K104 | P71-R73 HydrophobicContact CB-CG 4.38Å; R73-K101 WeakPolarHBondContact CG-O 3.41Å; R73-K101 PolarHBondContact NE-O 3.42Å; R73-K102 PolarHBondContact N-O 3.13Å; R73-K104 WeakPolarHBondContact O-CB 3.41Å; R73-K104 PolarHBondContact O-N 2.8Å |
| 74 | Q | 92 | Very high | 95 | Very high | 139 Ų | 139 | 51 Ų | 51 | 65% | 0.65 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -25.2 | 177.9 | 69.5 | -78.7 | 15.6 | 0 | 0 | 112.9 | V72 | V72-Q74 HydrophobicContact CG1-CG 4.44Å; V72-Q74 VanDerWaalsContact CG1-NE2 3.29Å; V72-Q74 PolarHBondContact O-N 3.19Å; V72-Q74 VanDerWaalsContact O-N 3.16Å |
| 75 | M | 94.3 | Very high | 95 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -98 | 156.6 | -177.4 | -65.1 | -170.9 | 72 | 0 | 0 | 112 | W32 I34 T60 V72 K104 | W32-M75 VanDerWaalsContact C-CE 3.46Å; W32-M75 HydrophobicContact CB-CE 3.65Å; W32-M75 WeakPolarHBondContact O-CE 3.23Å; I34-M75 HydrophobicContact CD1-CB 4.15Å; I34-M75 HydrophobicContact CD1-SD 4.07Å; I34-M75 HydrophobicContact CG1-CB 4.29Å; I34-M75 HydrophobicContact CG1-CE 3.99Å; I34-M75 HydrophobicContact CG1-SD 3.94Å; T60-M75 WeakPolarHBondContact OG1-CE 3.41Å; V72-M75 HydrophobicContact CG1-CB 4.03Å; V72-M75 HydrophobicContact CG1-CG 3.86Å; V72-M75 HydrophobicContact CG1-SD 4.01Å; V72-M75 PolarHBondContact O-N 3.11Å; V72-M75 VanDerWaalsContact O-N 3.15Å; M75-K104 VanDerWaalsContact O-CB 3.26Å; M75-K104 WeakPolarHBondContact O-CB 3.17Å; M75-K104 PolarHBondContact O-N 3.12Å |
| 76 | K | 95.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.078 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 149.7 | 169.3 | -59.9 | -178.6 | -171.5 | 159.7 | 0 | 109.8 | E31 I34 K104 A105 Y107 | E31-K76 WeakPolarHBondContact OE1-CE 3.47Å; E31-K76 IonicContact OE1-NZ 2.63Å; E31-K76 PolarHBondContact OE1-NZ 2.94Å; E31-K76 IonicContact OE2-NZ 2.97Å; E31-K76 PolarHBondContact OE2-NZ 3.28Å; I34-K76 PolarHBondContact N-O 2.98Å; I34-K76 VanDerWaalsContact N-O 3.12Å; K76-K104 HydrophobicContact CG-CB 4.29Å; K76-A105 WeakPolarHBondContact CA-O 3.33Å; K76-A105 HydrophobicContact CD-CB 4.35Å; K76-A105 HydrophobicContact CG-CB 4.15Å; K76-Y107 HydrophobicContact CB-CD2 4.47Å; K76-Y107 HydrophobicContact CB-CE2 4.03Å; K76-Y107 HydrophobicContact CD-CE2 3.52Å; K76-Y107 HydrophobicContact CG-CE2 4.44Å; K76-Y107 PolarHBondContact NZ-OH 2.9Å; K76-Y107 VanDerWaalsContact NZ-OH 3.07Å |
| 77 | A | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | I34 L36 Y79 Y103 A105 A106 Y107 | I34-A77 CarbonylContact O-C 3.53Å; I34-A77 WeakPolarHBondContact O-CA 3.41Å; L36-A77 HydrophobicContact CD2-CB 3.59Å; A77-Y79 HydrophobicContact CB-CD2 4.12Å; A77-Y79 HydrophobicContact CB-CE2 3.46Å; A77-Y79 VanDerWaalsContact CB-CE2 3.46Å; A77-Y103 HydrophobicContact CB-CD1 4.09Å; A77-Y103 HydrophobicContact CB-CD2 3.45Å; A77-Y103 VanDerWaalsContact CB-CD2 3.45Å; A77-Y103 HydrophobicContact CB-CE2 3.94Å; A77-Y103 HydrophobicContact CB-CG 3.52Å; A77-A105 PolarHBondContact N-O 2.84Å; A77-A106 CarbonylContact O-C 3.55Å; A77-A106 WeakPolarHBondContact O-CA 3.37Å; A77-Y107 PolarHBondContact O-N 3.38Å |
| 78 | L | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 104.8 | 171.9 | 174.1 | 64.8 | 0 | 0 | 0 | 108.3 | V22 F23 I34 M35 L36 V59 Y109 | V22-L78 HydrophobicContact CG1-CD1 3.86Å; V22-L78 HydrophobicContact CG1-CD2 3.99Å; V22-L78 HydrophobicContact CG1-CG 4.38Å; F23-L78 HydrophobicContact CD1-CD2 4.05Å; F23-L78 HydrophobicContact CE1-CD2 3.63Å; I34-L78 PolarHBondContact O-N 3.17Å; M35-L78 CarbonylContact C-O 3.14Å; M35-L78 WeakPolarHBondContact CA-O 3.45Å; M35-L78 HydrophobicContact CE-CD2 4.06Å; M35-L78 HydrophobicContact CG-CD2 4.2Å; M35-L78 HydrophobicContact CG-CG 4.37Å; M35-L78 HydrophobicContact SD-CD2 4.4Å; L36-L78 PolarHBondContact N-O 3.45Å; V59-L78 HydrophobicContact CG2-CD2 4.44Å; L78-Y109 HydrophobicContact CD1-CD2 3.37Å; L78-Y109 HydrophobicContact CD1-CE2 3.35Å |
| 79 | Y | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.5 | 174.6 | -65 | -95.3 | 0 | 0 | 0 | 108.5 | L36 I65 A77 F91 D94 F95 Y103 A106 Y107 I108 Y109 | L36-Y79 HydrophobicContact CB-CD1 3.57Å; L36-Y79 HydrophobicContact CB-CE1 3.8Å; L36-Y79 HydrophobicContact CB-CG 4.16Å; L36-Y79 HydrophobicContact CG-CD1 4.03Å; L36-Y79 HydrophobicContact CG-CE1 3.73Å; I65-Y79 HydrophobicContact CD1-CD1 3.87Å; I65-Y79 HydrophobicContact CD1-CE1 4.06Å; I65-Y79 HydrophobicContact CG1-CE1 4.44Å; A77-Y79 HydrophobicContact CB-CD2 4.12Å; A77-Y79 HydrophobicContact CB-CE2 3.46Å; A77-Y79 VanDerWaalsContact CB-CE2 3.46Å; Y79-F91 AromaticContact CD1-CD2 3.82Å; Y79-F91 HydrophobicContact CD1-CD2 3.82Å; Y79-F91 AromaticContact CD2-CD2 3.92Å; Y79-F91 HydrophobicContact CD2-CD2 3.92Å; Y79-F91 AromaticContact CD2-CE2 3.97Å; Y79-F91 HydrophobicContact CD2-CE2 3.97Å; Y79-F91 HydrophobicContact CE1-CB 4.42Å; Y79-F91 AromaticContact CE1-CD2 3.66Å; Y79-F91 HydrophobicContact CE1-CD2 3.66Å; Y79-F91 HydrophobicContact CE1-CE2 4.5Å; Y79-F91 AromaticContact CE2-CD2 3.75Å; Y79-F91 HydrophobicContact CE2-CD2 3.75Å; Y79-F91 AromaticContact CE2-CE2 3.77Å; Y79-F91 HydrophobicContact CE2-CE2 3.77Å; Y79-F91 AromaticContact CG-CD2 3.94Å; Y79-F91 HydrophobicContact CG-CD2 3.94Å; Y79-F91 HydrophobicContact CG-CE2 4.41Å; Y79-F91 AromaticContact CZ-CD2 3.61Å; Y79-D94 WeakPolarHBondContact OH-CB 3.45Å; Y79-D94 PolarHBondContact OH-OD2 3.33Å; Y79-F95 AromaticContact CE2-CE2 3.91Å; Y79-F95 HydrophobicContact CE2-CE2 3.91Å; Y79-F95 HydrophobicContact CE2-CZ 4.37Å; Y79-F95 AromaticContact CZ-CE2 3.99Å; Y79-F95 WeakPolarHBondContact OH-CE2 3.31Å; Y79-Y103 VanDerWaalsContact OH-CD2 3.25Å; Y79-Y103 WeakPolarHBondContact OH-CD2 3.45Å; Y79-Y103 WeakPolarHBondContact OH-CE2 3.24Å; Y79-A106 HydrophobicContact CD2-CB 3.94Å; Y79-A106 HydrophobicContact CE2-CB 3.79Å; Y79-Y107 PolarHBondContact N-O 2.93Å; Y79-I108 CarbonylContact O-C 3.52Å; Y79-Y109 PolarHBondContact O-N 2.8Å |
| 80 | F | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 102.7 | 167 | 179.2 | -136.1 | 0 | 0 | 0 | 106.4 | I18 M35 L36 L37 T41 L44 L45 Y109 T111 I136 | I18-F80 HydrophobicContact CD1-CE1 4.19Å; I18-F80 HydrophobicContact CD1-CZ 4.21Å; I18-F80 HydrophobicContact CG1-CZ 4.33Å; M35-F80 HydrophobicContact CE-CB 3.76Å; M35-F80 HydrophobicContact CE-CD1 3.99Å; M35-F80 HydrophobicContact CE-CG 4.26Å; L36-F80 PolarHBondContact O-N 3.28Å; L37-F80 HydrophobicContact CD2-CB 3.95Å; L37-F80 HydrophobicContact CD2-CD1 4.08Å; L37-F80 HydrophobicContact CD2-CG 4.49Å; T41-F80 WeakPolarHBondContact CB-O 3.4Å; T41-F80 HydrophobicContact CG2-CD1 3.96Å; T41-F80 HydrophobicContact CG2-CD2 4.38Å; T41-F80 HydrophobicContact CG2-CE1 4.03Å; T41-F80 HydrophobicContact CG2-CE2 4.41Å; T41-F80 HydrophobicContact CG2-CG 4.15Å; T41-F80 HydrophobicContact CG2-CZ 4.26Å; T41-F80 WeakPolarHBondContact CG2-O 3.31Å; T41-F80 PolarHBondContact OG1-O 3.48Å; L44-F80 HydrophobicContact CD2-CE1 4Å; L44-F80 HydrophobicContact CD2-CZ 3.76Å; L45-F80 HydrophobicContact CD1-CD1 4.13Å; L45-F80 HydrophobicContact CD2-CD1 4.4Å; L45-F80 HydrophobicContact CD2-CE1 4.12Å; L45-F80 HydrophobicContact CG-CD1 4.2Å; L45-F80 HydrophobicContact CG-CE1 4.13Å; F80-Y109 WeakPolarHBondContact CA-O 3.36Å; F80-T111 HydrophobicContact CD2-CG2 4.46Å; F80-T111 HydrophobicContact CE2-CG2 3.84Å; F80-T111 HydrophobicContact CZ-CG2 4.13Å; F80-I136 HydrophobicContact CD2-CD1 4.07Å; F80-I136 HydrophobicContact CE2-CD1 3.71Å |
| 81 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.9 | -166.4 | 57.1 | 175.4 | 0 | 0 | 0 | 111.5 | D38 I65 Y109 F110 T111 | D38-I81 HydrophobicContact CB-CG2 4.38Å; I65-I81 HydrophobicContact CD1-CD1 4.1Å; I65-I81 HydrophobicContact CD1-CG2 3.96Å; I81-Y109 PolarHBondContact N-O 3.37Å; I81-F110 HydrophobicContact CD1-CE1 3.9Å; I81-F110 HydrophobicContact CG1-CD1 4Å; I81-F110 HydrophobicContact CG1-CE1 3.87Å; I81-F110 VanDerWaalsContact O-CA 3.27Å; I81-F110 WeakPolarHBondContact O-CA 3.37Å; I81-T111 PolarHBondContact O-N 2.87Å; I81-T111 VanDerWaalsContact O-N 3.09Å |
| 82 | S | 95.7 | Very high | 95.5 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | trans | -75.9 | 144 | 169.5 | -38.5 | 0 | 0 | 0 | 0 | 110.3 | D38 F40 T84 S87 T111 | D38-S82 WeakPolarHBondContact OD2-CA 3.01Å; D38-S82 WeakPolarHBondContact OD2-CB 3.26Å; D38-S82 PolarHBondContact OD2-N 3.04Å; D38-S82 PolarHBondContact OD2-OG 2.61Å; F40-S82 WeakPolarHBondContact CD1-OG 3.37Å; S82-T84 PolarHBondContact O-N 2.85Å; S82-S87 WeakPolarHBondContact O-CB 3.24Å; S82-T111 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 83 | P | 94.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 41 Ų | 41 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | trans | -76.8 | 55.5 | -178.1 | 32.5 | -35.7 | 0 | 0 | 0 | 112.4 | F110 D112 F113 C114 L118 | P83-F110 HydrophobicContact CB-CB 4.39Å; P83-F110 HydrophobicContact CB-CD1 3.73Å; P83-F110 HydrophobicContact CB-CE1 4.22Å; P83-F110 HydrophobicContact CB-CG 4.12Å; P83-D112 HydrophobicContact CG-CB 4.11Å; P83-F113 VanDerWaalsContact CG-O 3.28Å; P83-F113 WeakPolarHBondContact CG-O 3.3Å; P83-C114 HydrophobicContact CB-CB 4.02Å; P83-L118 WeakPolarHBondContact O-CD1 3.47Å | ||
| 84 | T | 94.3 | Very high | 95.6 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | trans | -95.3 | 152.3 | 177.9 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | S82 K86 S87 V88 | S82-T84 PolarHBondContact O-N 2.85Å; T84-K86 PolarHBondContact O-N 3.3Å; T84-S87 PolarHBondContact O-N 3.09Å; T84-S87 WeakPolarHBondContact OG1-CB 3.43Å; T84-S87 PolarHBondContact OG1-N 3.11Å; T84-S87 VanDerWaalsContact OG1-N 3.11Å; T84-S87 PolarHBondContact OG1-OG 3.18Å; T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 2.9Å | ||
| 85 | P | 96 | Very high | 95.7 | Very high | 79 Ų | 79 | 28.5 Ų | 28.5 | 51% | 0.513 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -53.1 | -41.6 | 173.8 | -26.5 | 34.1 | 0 | 0 | 0 | 112.6 | V88 D89 L118 | P85-V88 PolarHBondContact O-N 2.94Å; P85-D89 VanDerWaalsContact O-CB 3.28Å; P85-D89 WeakPolarHBondContact O-CB 3.13Å; P85-D89 PolarHBondContact O-N 2.89Å; P85-L118 HydrophobicContact CB-CD2 4.34Å; P85-L118 HydrophobicContact CG-CD1 4.45Å; P85-L118 HydrophobicContact CG-CD2 4.3Å |
| 86 | K | 96.6 | Very high | 95 | Very high | 121 Ų | 121 | 29.9 Ų | 29.9 | 53% | 0.526 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 179.2 | -169.9 | -171.9 | 175.6 | -173.1 | 0 | 112.3 | Y66 T84 C90 | Y66-K86 HydrophobicContact CD1-CD 4.13Å; Y66-K86 HydrophobicContact CD1-CG 4.07Å; Y66-K86 HydrophobicContact CE1-CB 4.3Å; Y66-K86 HydrophobicContact CE1-CD 3.7Å; Y66-K86 HydrophobicContact CE1-CG 3.61Å; Y66-K86 HydrophobicContact CE2-CD 4.49Å; T84-K86 PolarHBondContact O-N 3.3Å; K86-C90 PolarHBondContact O-N 2.85Å; K86-C90 VanDerWaalsContact O-N 3.15Å; K86-C90 PolarHBondContact O-SG 3.49Å |
| 87 | S | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | D38 I65 Y66 S82 T84 C90 F91 | D38-S87 PolarHBondContact OD2-OG 2.86Å; I65-S87 WeakPolarHBondContact CD1-O 3.33Å; Y66-S87 PolarHBondContact OH-OG 2.94Å; S82-S87 WeakPolarHBondContact O-CB 3.24Å; T84-S87 PolarHBondContact O-N 3.09Å; T84-S87 WeakPolarHBondContact OG1-CB 3.43Å; T84-S87 PolarHBondContact OG1-N 3.11Å; T84-S87 VanDerWaalsContact OG1-N 3.11Å; T84-S87 PolarHBondContact OG1-OG 3.18Å; S87-C90 PolarHBondContact O-N 3.47Å; S87-F91 WeakPolarHBondContact O-CB 3.08Å; S87-F91 PolarHBondContact O-N 2.91Å |
| 88 | V | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | T84 P85 C90 F91 L92 F110 L118 I122 | T84-V88 WeakPolarHBondContact O-CG2 3.39Å; T84-V88 PolarHBondContact O-N 2.9Å; P85-V88 PolarHBondContact O-N 2.94Å; V88-C90 VanDerWaalsContact C-N 3.34Å; V88-C90 PolarHBondContact O-N 2.92Å; V88-F91 WeakPolarHBondContact O-CB 3.47Å; V88-F91 PolarHBondContact O-N 3.44Å; V88-L92 HydrophobicContact CG1-CD1 4.03Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 VanDerWaalsContact O-CG 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 2.75Å; V88-F110 HydrophobicContact CG2-CE1 4.21Å; V88-F110 HydrophobicContact CG2-CZ 4.33Å; V88-L118 HydrophobicContact CB-CD2 4.5Å; V88-L118 HydrophobicContact CG2-CB 4.31Å; V88-L118 HydrophobicContact CG2-CD1 4.19Å; V88-I122 HydrophobicContact CG1-CD1 3.97Å; V88-I122 HydrophobicContact CG1-CG1 3.76Å; V88-I122 HydrophobicContact CG2-CD1 4.23Å |
| 89 | D | 95.5 | Very high | 92.3 | Very high | 68 Ų | 68 | 44 Ų | 44 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.9 | -73.4 | -11.3 | 0 | 0 | 0 | 112.4 | P85 L92 R93 K121 | P85-D89 VanDerWaalsContact O-CB 3.28Å; P85-D89 WeakPolarHBondContact O-CB 3.13Å; P85-D89 PolarHBondContact O-N 2.89Å; D89-L92 PolarHBondContact O-N 2.76Å; D89-R93 PolarHBondContact O-N 3.35Å; D89-R93 VanDerWaalsContact O-N 3.07Å; D89-K121 WeakPolarHBondContact OD1-CE 3.47Å; D89-K121 IonicContact OD1-NZ 2.6Å; D89-K121 PolarHBondContact OD1-NZ 2.69Å; D89-K121 IonicContact OD2-NZ 3.67Å |
| 90 | C | 95.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 174.4 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | I65 K86 S87 V88 R93 D94 | I65-C90 HydrophobicContact CD1-CB 4.23Å; I65-C90 HydrophobicContact CG1-CB 3.83Å; K86-C90 PolarHBondContact O-N 2.85Å; K86-C90 VanDerWaalsContact O-N 3.15Å; K86-C90 PolarHBondContact O-SG 3.49Å; S87-C90 PolarHBondContact O-N 3.47Å; V88-C90 VanDerWaalsContact C-N 3.34Å; V88-C90 PolarHBondContact O-N 2.92Å; C90-R93 PolarHBondContact O-N 3.15Å; C90-R93 PolarHBondContact SG-NH2 2.82Å; C90-D94 PolarHBondContact O-N 2.81Å |
| 91 | F | 95.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 173.3 | 163.6 | -103.3 | 0 | 0 | 0 | 111.7 | I65 Y79 S87 V88 R93 D94 F95 A106 I108 I122 C126 I130 | I65-F91 HydrophobicContact CD1-CB 4.15Å; Y79-F91 AromaticContact CD1-CD2 3.82Å; Y79-F91 HydrophobicContact CD1-CD2 3.82Å; Y79-F91 AromaticContact CD2-CD2 3.92Å; Y79-F91 HydrophobicContact CD2-CD2 3.92Å; Y79-F91 AromaticContact CD2-CE2 3.97Å; Y79-F91 HydrophobicContact CD2-CE2 3.97Å; Y79-F91 HydrophobicContact CE1-CB 4.42Å; Y79-F91 AromaticContact CE1-CD2 3.66Å; Y79-F91 HydrophobicContact CE1-CD2 3.66Å; Y79-F91 HydrophobicContact CE1-CE2 4.5Å; Y79-F91 AromaticContact CE2-CD2 3.75Å; Y79-F91 HydrophobicContact CE2-CD2 3.75Å; Y79-F91 AromaticContact CE2-CE2 3.77Å; Y79-F91 HydrophobicContact CE2-CE2 3.77Å; Y79-F91 AromaticContact CG-CD2 3.94Å; Y79-F91 HydrophobicContact CG-CD2 3.94Å; Y79-F91 HydrophobicContact CG-CE2 4.41Å; Y79-F91 AromaticContact CZ-CD2 3.61Å; S87-F91 WeakPolarHBondContact O-CB 3.08Å; S87-F91 PolarHBondContact O-N 2.91Å; V88-F91 WeakPolarHBondContact O-CB 3.47Å; V88-F91 PolarHBondContact O-N 3.44Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.11Å; F91-D94 WeakPolarHBondContact O-CB 3.49Å; F91-D94 PolarHBondContact O-N 3.13Å; F91-D94 VanDerWaalsContact O-N 3.09Å; F91-F95 HydrophobicContact CD2-CD2 4.33Å; F91-F95 HydrophobicContact CD2-CE2 4.19Å; F91-F95 AromaticContact CE2-CD2 3.76Å; F91-F95 HydrophobicContact CE2-CD2 3.76Å; F91-F95 AromaticContact CE2-CE2 3.56Å; F91-F95 HydrophobicContact CE2-CE2 3.56Å; F91-F95 HydrophobicContact CZ-CD2 4.08Å; F91-F95 HydrophobicContact CZ-CE2 4.24Å; F91-A106 HydrophobicContact CE2-CB 3.72Å; F91-A106 HydrophobicContact CZ-CB 4.22Å; F91-I108 HydrophobicContact CD1-CD1 4.27Å; F91-I108 HydrophobicContact CD2-CD1 4.35Å; F91-I108 HydrophobicContact CE1-CD1 3.55Å; F91-I108 HydrophobicContact CE2-CD1 3.67Å; F91-I108 HydrophobicContact CE2-CG1 3.99Å; F91-I108 HydrophobicContact CZ-CD1 3.24Å; F91-I108 HydrophobicContact CZ-CG1 4.07Å; F91-I122 HydrophobicContact CD1-CG1 4.35Å; F91-I122 HydrophobicContact CE1-CG1 4.31Å; F91-I122 HydrophobicContact CE1-CG2 4.06Å; F91-C126 WeakPolarHBondContact CE1-SG 3.37Å; F91-I130 HydrophobicContact CE1-CD1 4.25Å; F91-I130 HydrophobicContact CZ-CD1 4.03Å; F91-I130 HydrophobicContact CZ-CG1 4.06Å |
| 92 | L | 94.3 | Very high | 91 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -39 | 179.7 | -72.7 | 176.3 | 0 | 0 | 0 | 112.1 | V88 D89 D94 F95 G96 K121 I122 | V88-L92 HydrophobicContact CG1-CD1 4.03Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 VanDerWaalsContact O-CG 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.46Å; V88-L92 PolarHBondContact O-N 2.75Å; D89-L92 PolarHBondContact O-N 2.76Å; L92-D94 VanDerWaalsContact C-N 3.27Å; L92-D94 PolarHBondContact O-N 2.89Å; L92-F95 CarbonylContact O-C 3.59Å; L92-F95 PolarHBondContact O-N 3.25Å; L92-F95 VanDerWaalsContact O-N 3.1Å; L92-G96 PolarHBondContact O-N 2.99Å; L92-G96 VanDerWaalsContact O-N 3.07Å; L92-K121 HydrophobicContact CD1-CB 4.47Å; L92-K121 HydrophobicContact CD1-CD 3.67Å; L92-K121 HydrophobicContact CD1-CG 3.64Å; L92-I122 HydrophobicContact CD2-CG1 4.4Å |
| 93 | R | 92.9 | Very high | 91 | Very high | 150 Ų | 150 | 53.7 Ų | 53.7 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.1 | -31.8 | 176.9 | -173.9 | 173.1 | 60.7 | -139 | -3.3 | 112.9 | D89 C90 F91 F95 G96 | D89-R93 PolarHBondContact O-N 3.35Å; D89-R93 VanDerWaalsContact O-N 3.07Å; C90-R93 PolarHBondContact O-N 3.15Å; C90-R93 PolarHBondContact SG-NH2 2.82Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.11Å; R93-F95 PolarHBondContact O-N 3.48Å; R93-G96 PolarHBondContact O-N 3.05Å |
| 94 | D | 95 | Very high | 91 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17 | 177.1 | -70.3 | -17.5 | 0 | 0 | 0 | 113.1 | R69 Y79 C90 F91 L92 K101 K102 Y103 | R69-D94 IonicContact CZ-OD1 2.73Å; R69-D94 IonicContact CZ-OD2 3.59Å; R69-D94 IonicContact NE-OD2 3.35Å; R69-D94 VanDerWaalsContact NH2-CG 3.27Å; R69-D94 IonicContact NH2-OD1 3.47Å; R69-D94 PolarHBondContact NH2-OD1 3.17Å; R69-D94 IonicContact NH2-OD2 2.58Å; R69-D94 PolarHBondContact NH2-OD2 2.78Å; Y79-D94 WeakPolarHBondContact OH-CB 3.45Å; Y79-D94 PolarHBondContact OH-OD2 3.33Å; C90-D94 PolarHBondContact O-N 2.81Å; F91-D94 WeakPolarHBondContact O-CB 3.49Å; F91-D94 PolarHBondContact O-N 3.13Å; F91-D94 VanDerWaalsContact O-N 3.09Å; L92-D94 VanDerWaalsContact C-N 3.27Å; L92-D94 PolarHBondContact O-N 2.89Å; D94-K101 WeakPolarHBondContact O-CA 3.46Å; D94-K102 HydrophobicContact CB-CB 4.34Å; D94-K102 HydrophobicContact CB-CG 4.37Å; D94-K102 PolarHBondContact O-N 3.25Å; D94-K102 WeakPolarHBondContact OD1-CD 3.4Å; D94-Y103 HydrophobicContact CB-CE2 4.37Å |
| 95 | F | 93.2 | Very high | 91 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 17.5 | -179.4 | -62.5 | -82.3 | 0 | 0 | 0 | 113.6 | Y79 F91 L92 R93 S97 K101 Y103 A106 C126 | Y79-F95 AromaticContact CE2-CE2 3.91Å; Y79-F95 HydrophobicContact CE2-CE2 3.91Å; Y79-F95 HydrophobicContact CE2-CZ 4.37Å; Y79-F95 AromaticContact CZ-CE2 3.99Å; Y79-F95 WeakPolarHBondContact OH-CE2 3.31Å; F91-F95 HydrophobicContact CD2-CD2 4.33Å; F91-F95 HydrophobicContact CD2-CE2 4.19Å; F91-F95 AromaticContact CE2-CD2 3.76Å; F91-F95 HydrophobicContact CE2-CD2 3.76Å; F91-F95 AromaticContact CE2-CE2 3.56Å; F91-F95 HydrophobicContact CE2-CE2 3.56Å; F91-F95 HydrophobicContact CZ-CD2 4.08Å; F91-F95 HydrophobicContact CZ-CE2 4.24Å; L92-F95 CarbonylContact O-C 3.59Å; L92-F95 PolarHBondContact O-N 3.25Å; L92-F95 VanDerWaalsContact O-N 3.1Å; R93-F95 PolarHBondContact O-N 3.48Å; F95-S97 VanDerWaalsContact C-N 3.33Å; F95-S97 PolarHBondContact O-N 2.82Å; F95-K101 HydrophobicContact CD1-CB 4.41Å; F95-K101 HydrophobicContact CD1-CD 4.14Å; F95-K101 HydrophobicContact CD1-CG 4.23Å; F95-Y103 HydrophobicContact CZ-CD2 4.19Å; F95-A106 HydrophobicContact CE2-CB 3.84Å; F95-A106 HydrophobicContact CZ-CB 3.75Å; F95-C126 HydrophobicContact CB-CB 3.79Å |
| 96 | G | 81.1 | Confident | 91 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 69% | 0.691 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -60.8 | -33.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L92 R93 | L92-G96 PolarHBondContact O-N 2.99Å; L92-G96 VanDerWaalsContact O-N 3.07Å; R93-G96 PolarHBondContact O-N 3.05Å |
| 97 | S | 79 | Confident | 91 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -131.5 | 152.3 | 174.7 | 81.2 | 0 | 0 | 0 | 0 | 111.5 | F95 S99 E100 K101 | F95-S97 VanDerWaalsContact C-N 3.33Å; F95-S97 PolarHBondContact O-N 2.82Å; S97-S99 VanDerWaalsContact C-N 3.3Å; S97-S99 PolarHBondContact O-N 3.22Å; S97-E100 PolarHBondContact O-N 3.03Å; S97-E100 WeakPolarHBondContact OG-CB 3.31Å; S97-E100 VanDerWaalsContact OG-CD 3.32Å; S97-E100 WeakPolarHBondContact OG-CG 3.35Å; S97-E100 PolarHBondContact OG-N 3.37Å; S97-E100 VanDerWaalsContact OG-N 3.13Å; S97-E100 PolarHBondContact OG-OE2 3.39Å; S97-K101 VanDerWaalsContact O-CG 3.3Å; S97-K101 WeakPolarHBondContact O-CG 3.42Å; S97-K101 PolarHBondContact O-N 3.14Å |
| 98 | K | 72.9 | Confident | 91 | Very high | 187 Ų | 187 | 47.2 Ų | 47.2 | 81% | 0.813 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -64.1 | -34.8 | -179.4 | -76.2 | -174.8 | -175.8 | 172.7 | 0 | 112.6 | ||
| 99 | S | 78.6 | Confident | 91.1 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 66% | 0.664 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -80.6 | -24.4 | -179.7 | 43.1 | 0 | 0 | 0 | 0 | 113.2 | S97 | S97-S99 VanDerWaalsContact C-N 3.3Å; S97-S99 PolarHBondContact O-N 3.22Å |
| 100 | E | 83.4 | Confident | 91.2 | Very high | 136 Ų | 136 | 44 Ų | 44 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -112.1 | 18.2 | -173.8 | -52.9 | 164.1 | 147.4 | 0 | 0 | 113.6 | S97 K102 | S97-E100 PolarHBondContact O-N 3.03Å; S97-E100 WeakPolarHBondContact OG-CB 3.31Å; S97-E100 VanDerWaalsContact OG-CD 3.32Å; S97-E100 WeakPolarHBondContact OG-CG 3.35Å; S97-E100 PolarHBondContact OG-N 3.37Å; S97-E100 VanDerWaalsContact OG-N 3.13Å; S97-E100 PolarHBondContact OG-OE2 3.39Å; E100-K102 PolarHBondContact O-N 3Å |
| 101 | K | 91 | Very high | 91.2 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 24% | 0.239 | 22% | 0.224 | C | C | . | . | trans | -53.5 | 134.3 | 173.5 | -61.6 | -173.3 | -177.7 | -169.1 | 0 | 110.3 | R73 D94 F95 S97 S129 | R73-K101 WeakPolarHBondContact CG-O 3.41Å; R73-K101 PolarHBondContact NE-O 3.42Å; D94-K101 WeakPolarHBondContact O-CA 3.46Å; F95-K101 HydrophobicContact CD1-CB 4.41Å; F95-K101 HydrophobicContact CD1-CD 4.14Å; F95-K101 HydrophobicContact CD1-CG 4.23Å; S97-K101 VanDerWaalsContact O-CG 3.3Å; S97-K101 WeakPolarHBondContact O-CG 3.42Å; S97-K101 PolarHBondContact O-N 3.14Å; K101-S129 PolarHBondContact NZ-OG 2.86Å | ||
| 102 | K | 93.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -74.8 | -32.1 | 173.3 | -65.3 | -154.8 | -177.4 | -158.6 | 0 | 112.6 | N68 R69 P71 V72 R73 D94 E100 | N68-K102 PolarHBondContact OD1-NZ 3.02Å; R69-K102 PolarHBondContact O-NZ 3Å; P71-K102 CarbonylContact C-O 3.42Å; P71-K102 HydrophobicContact CG-CG 4.43Å; V72-K102 CarbonylContact C-O 3.6Å; V72-K102 PolarHBondContact N-O 3.4Å; R73-K102 PolarHBondContact N-O 3.13Å; D94-K102 HydrophobicContact CB-CB 4.34Å; D94-K102 HydrophobicContact CB-CG 4.37Å; D94-K102 PolarHBondContact O-N 3.25Å; D94-K102 WeakPolarHBondContact OD1-CD 3.4Å; E100-K102 PolarHBondContact O-N 3Å |
| 103 | Y | 95.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -134.5 | 160.8 | -173.3 | -47.5 | -67.4 | 0 | 0 | 0 | 112.4 | I34 L36 R69 V72 A77 Y79 D94 F95 | I34-Y103 HydrophobicContact CD1-CD1 4.28Å; I34-Y103 HydrophobicContact CD1-CE1 3.98Å; L36-Y103 HydrophobicContact CD2-CE2 4.43Å; R69-Y103 WeakPolarHBondContact CD-OH 3.31Å; R69-Y103 PolarHBondContact NE-OH 3.18Å; V72-Y103 HydrophobicContact CB-CD1 4.48Å; A77-Y103 HydrophobicContact CB-CD1 4.09Å; A77-Y103 HydrophobicContact CB-CD2 3.45Å; A77-Y103 VanDerWaalsContact CB-CD2 3.45Å; A77-Y103 HydrophobicContact CB-CE2 3.94Å; A77-Y103 HydrophobicContact CB-CG 3.52Å; Y79-Y103 VanDerWaalsContact OH-CD2 3.25Å; Y79-Y103 WeakPolarHBondContact OH-CD2 3.45Å; Y79-Y103 WeakPolarHBondContact OH-CE2 3.24Å; D94-Y103 HydrophobicContact CB-CE2 4.37Å; F95-Y103 HydrophobicContact CZ-CD2 4.19Å |
| 104 | K | 93.9 | Very high | 90.6 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 56% | 0.557 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -63.2 | -43.4 | 179.7 | -172.4 | 173.4 | -179.5 | 174.7 | 0 | 112.7 | R73 M75 K76 | R73-K104 WeakPolarHBondContact O-CB 3.41Å; R73-K104 PolarHBondContact O-N 2.8Å; M75-K104 VanDerWaalsContact O-CB 3.26Å; M75-K104 WeakPolarHBondContact O-CB 3.17Å; M75-K104 PolarHBondContact O-N 3.12Å; K76-K104 HydrophobicContact CG-CB 4.29Å |
| 105 | A | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -163 | 164.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.2 | K76 A77 S129 R131 | K76-A105 WeakPolarHBondContact CA-O 3.33Å; K76-A105 HydrophobicContact CD-CB 4.35Å; K76-A105 HydrophobicContact CG-CB 4.15Å; A77-A105 PolarHBondContact N-O 2.84Å; A105-S129 CarbonylContact C-O 3.52Å; A105-S129 VanDerWaalsContact CA-O 3.26Å; A105-S129 WeakPolarHBondContact CA-O 3.5Å; A105-S129 WeakPolarHBondContact CB-O 3.39Å; A105-R131 HydrophobicContact CB-CG 3.82Å | ||
| 106 | A | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | A77 Y79 F91 F95 I108 S129 I130 R131 | A77-A106 CarbonylContact O-C 3.55Å; A77-A106 WeakPolarHBondContact O-CA 3.37Å; Y79-A106 HydrophobicContact CD2-CB 3.94Å; Y79-A106 HydrophobicContact CE2-CB 3.79Å; F91-A106 HydrophobicContact CE2-CB 3.72Å; F91-A106 HydrophobicContact CZ-CB 4.22Å; F95-A106 HydrophobicContact CE2-CB 3.84Å; F95-A106 HydrophobicContact CZ-CB 3.75Å; A106-I108 HydrophobicContact CB-CG1 4.3Å; A106-S129 PolarHBondContact N-O 3.16Å; A106-I130 CarbonylContact O-C 3.57Å; A106-I130 WeakPolarHBondContact O-CA 3.4Å; A106-R131 PolarHBondContact O-N 2.8Å |
| 107 | Y | 97 | Very high | 91.2 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.7 | 157.5 | -60 | -92.9 | 0 | 0 | 0 | 107 | C26 K33 K76 A77 Y79 R131 R132 | C26-Y107 HydrophobicContact CB-CD1 3.67Å; C26-Y107 HydrophobicContact CB-CE1 3.92Å; C26-Y107 HydrophobicContact CB-CG 4.05Å; K33-Y107 HydrophobicContact CD-CD2 4.45Å; K33-Y107 HydrophobicContact CD-CE2 4.34Å; K76-Y107 HydrophobicContact CB-CD2 4.47Å; K76-Y107 HydrophobicContact CB-CE2 4.03Å; K76-Y107 HydrophobicContact CD-CE2 3.52Å; K76-Y107 HydrophobicContact CG-CE2 4.44Å; K76-Y107 PolarHBondContact NZ-OH 2.9Å; K76-Y107 VanDerWaalsContact NZ-OH 3.07Å; A77-Y107 PolarHBondContact O-N 3.38Å; Y79-Y107 PolarHBondContact N-O 2.93Å; Y107-R131 HydrophobicContact CD1-CB 4Å; Y107-R131 HydrophobicContact CE1-CB 3.69Å; Y107-R132 HydrophobicContact CD1-CB 3.84Å; Y107-R132 HydrophobicContact CD1-CG 3.62Å; Y107-R132 HydrophobicContact CE1-CG 3.99Å |
| 108 | I | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.6 | -176.7 | -49.2 | 172.8 | 0 | 0 | 0 | 108.8 | Y79 F91 A106 F110 I122 I130 R132 C133 K134 | Y79-I108 CarbonylContact O-C 3.52Å; F91-I108 HydrophobicContact CD1-CD1 4.27Å; F91-I108 HydrophobicContact CD2-CD1 4.35Å; F91-I108 HydrophobicContact CE1-CD1 3.55Å; F91-I108 HydrophobicContact CE2-CD1 3.67Å; F91-I108 HydrophobicContact CE2-CG1 3.99Å; F91-I108 HydrophobicContact CZ-CD1 3.24Å; F91-I108 HydrophobicContact CZ-CG1 4.07Å; A106-I108 HydrophobicContact CB-CG1 4.3Å; I108-F110 HydrophobicContact CG2-CD2 4.24Å; I108-F110 HydrophobicContact CG2-CE1 4.08Å; I108-F110 HydrophobicContact CG2-CE2 3.75Å; I108-F110 HydrophobicContact CG2-CZ 3.66Å; I108-I122 HydrophobicContact CD1-CG2 4.44Å; I108-I130 HydrophobicContact CD1-CD1 3.68Å; I108-I130 HydrophobicContact CD1-CG1 3.95Å; I108-I130 HydrophobicContact CD1-CG2 4.14Å; I108-I130 HydrophobicContact CG1-CG2 4.45Å; I108-R132 PolarHBondContact N-O 2.85Å; I108-C133 CarbonylContact O-C 3.44Å; I108-C133 VanDerWaalsContact O-CA 3.22Å; I108-C133 WeakPolarHBondContact O-CA 3.41Å; I108-K134 PolarHBondContact O-N 3.39Å |
| 109 | Y | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 112.4 | 177.8 | -69.2 | -81.5 | 0 | 0 | 0 | 108.5 | T21 V22 D25 C26 L78 Y79 F80 I81 K134 I136 | T21-Y109 VanDerWaalsContact O-CE1 3.28Å; T21-Y109 WeakPolarHBondContact O-CE1 3.36Å; V22-Y109 HydrophobicContact CG1-CD2 3.77Å; V22-Y109 HydrophobicContact CG1-CE2 3.98Å; V22-Y109 HydrophobicContact CG1-CG 4.04Å; V22-Y109 HydrophobicContact CG2-CD1 4.16Å; V22-Y109 HydrophobicContact CG2-CG 4.15Å; D25-Y109 HydrophobicContact CB-CE1 4.48Å; D25-Y109 PolarHBondContact OD2-OH 3.25Å; C26-Y109 HydrophobicContact CB-CE2 4.33Å; C26-Y109 WeakPolarHBondContact CB-OH 3.5Å; L78-Y109 HydrophobicContact CD1-CD2 3.37Å; L78-Y109 HydrophobicContact CD1-CE2 3.35Å; Y79-Y109 PolarHBondContact O-N 2.8Å; F80-Y109 WeakPolarHBondContact CA-O 3.36Å; I81-Y109 PolarHBondContact N-O 3.37Å; Y109-K134 CarbonylContact C-O 3.59Å; Y109-K134 VanDerWaalsContact CA-O 3.28Å; Y109-K134 WeakPolarHBondContact CA-O 3.4Å; Y109-K134 HydrophobicContact CD1-CB 4.01Å; Y109-K134 HydrophobicContact CE1-CB 4.08Å; Y109-I136 HydrophobicContact CD1-CD1 4.01Å; Y109-I136 HydrophobicContact CD1-CG1 4.36Å; Y109-I136 HydrophobicContact CG-CD1 4.2Å |
| 110 | F | 97.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 139.1 | 176.1 | -67.7 | -63.9 | 0 | 0 | 0 | 111 | I81 P83 V88 I108 D112 C114 I122 K134 E135 I136 | I81-F110 HydrophobicContact CD1-CE1 3.9Å; I81-F110 HydrophobicContact CG1-CD1 4Å; I81-F110 HydrophobicContact CG1-CE1 3.87Å; I81-F110 VanDerWaalsContact O-CA 3.27Å; I81-F110 WeakPolarHBondContact O-CA 3.37Å; P83-F110 HydrophobicContact CB-CB 4.39Å; P83-F110 HydrophobicContact CB-CD1 3.73Å; P83-F110 HydrophobicContact CB-CE1 4.22Å; P83-F110 HydrophobicContact CB-CG 4.12Å; V88-F110 HydrophobicContact CG2-CE1 4.21Å; V88-F110 HydrophobicContact CG2-CZ 4.33Å; I108-F110 HydrophobicContact CG2-CD2 4.24Å; I108-F110 HydrophobicContact CG2-CE1 4.08Å; I108-F110 HydrophobicContact CG2-CE2 3.75Å; I108-F110 HydrophobicContact CG2-CZ 3.66Å; F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 WeakPolarHBondContact CB-O 3.22Å; F110-C114 HydrophobicContact CD2-CB 3.81Å; F110-C114 HydrophobicContact CE2-CB 4.08Å; F110-C114 HydrophobicContact CG-CB 4.28Å; F110-I122 HydrophobicContact CE2-CD1 4.15Å; F110-I122 HydrophobicContact CZ-CD1 3.66Å; F110-K134 PolarHBondContact N-O 3.25Å; F110-E135 HydrophobicContact CB-CG 4.3Å; F110-I136 PolarHBondContact O-N 3.22Å |
| 111 | T | 94.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -67 | -31.9 | 175.9 | 57.1 | 0 | 0 | 0 | 0 | 112 | F40 T41 F80 I81 S82 N137 I138 S139 | F40-T111 HydrophobicContact CD1-CG2 3.98Å; F40-T111 HydrophobicContact CE1-CG2 3.79Å; T41-T111 HydrophobicContact CG2-CG2 3.29Å; F80-T111 HydrophobicContact CD2-CG2 4.46Å; F80-T111 HydrophobicContact CE2-CG2 3.84Å; F80-T111 HydrophobicContact CZ-CG2 4.13Å; I81-T111 PolarHBondContact O-N 2.87Å; I81-T111 VanDerWaalsContact O-N 3.09Å; S82-T111 WeakPolarHBondContact CA-OG1 3.45Å; T111-N137 CarbonylContact O-C 3.55Å; T111-N137 WeakPolarHBondContact O-CA 3.15Å; T111-N137 PolarHBondContact O-N 3.33Å; T111-I138 WeakPolarHBondContact CB-O 3.34Å; T111-I138 CarbonylContact O-C 3.53Å; T111-I138 PolarHBondContact O-N 3.16Å; T111-S139 PolarHBondContact O-OG 2.91Å |
| 112 | D | 90 | Very high | 94.3 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -135.1 | -178.9 | -178.4 | -139.5 | -36.8 | 0 | 0 | 0 | 111.5 | P83 F110 C114 S139 | P83-D112 HydrophobicContact CG-CB 4.11Å; F110-D112 VanDerWaalsContact C-N 3.28Å; F110-D112 WeakPolarHBondContact CB-O 3.22Å; D112-C114 PolarHBondContact O-N 2.91Å; D112-S139 WeakPolarHBondContact CB-OG 3.4Å; D112-S139 VanDerWaalsContact OD2-CB 3.24Å; D112-S139 WeakPolarHBondContact OD2-CB 3.44Å; D112-S139 PolarHBondContact OD2-OG 3.46Å |
| 113 | F | 89 | Confident | 94.2 | Very high | 113 Ų | 113 | 45 Ų | 45 | 50% | 0.496 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -48.7 | 126.3 | 167.5 | 178.4 | -102.2 | 0 | 0 | 0 | 111.6 | P83 P115 | P83-F113 VanDerWaalsContact CG-O 3.28Å; P83-F113 WeakPolarHBondContact CG-O 3.3Å; F113-P115 WeakPolarHBondContact O-CD 3.37Å |
| 114 | C | 91.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 117.1 | 176.7 | 180 | 0 | 0 | 0 | 0 | 110 | P83 F110 D112 D116 E135 | P83-C114 HydrophobicContact CB-CB 4.02Å; F110-C114 HydrophobicContact CD2-CB 3.81Å; F110-C114 HydrophobicContact CE2-CB 4.08Å; F110-C114 HydrophobicContact CG-CB 4.28Å; D112-C114 PolarHBondContact O-N 2.91Å; C114-D116 PolarHBondContact O-N 3.25Å; C114-E135 WeakPolarHBondContact CB-OE1 3.48Å; C114-E135 PolarHBondContact N-OE1 2.91Å |
| 115 | P | 92.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -53 | 138.6 | 175.8 | -26.6 | 33.8 | 0 | 0 | 0 | 112.6 | F113 S117 L118 F119 | F113-P115 WeakPolarHBondContact O-CD 3.37Å; P115-S117 PolarHBondContact O-N 3.23Å; P115-S117 VanDerWaalsContact O-N 3.08Å; P115-L118 HydrophobicContact CG-CD1 4.38Å; P115-L118 PolarHBondContact O-N 3.47Å; P115-F119 PolarHBondContact O-N 2.97Å |
| 116 | D | 93.8 | Very high | 93 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -53.7 | -34.4 | -179.3 | -76.7 | -27.6 | 0 | 0 | 0 | 112.8 | C114 L118 F119 N120 | C114-D116 PolarHBondContact O-N 3.25Å; D116-L118 PolarHBondContact O-N 2.94Å; D116-F119 PolarHBondContact O-N 3.45Å; D116-N120 VanDerWaalsContact O-CB 3.22Å; D116-N120 WeakPolarHBondContact O-CB 3.45Å; D116-N120 PolarHBondContact O-N 3.49Å; D116-N120 PolarHBondContact O-ND2 3.5Å |
| 117 | S | 95.4 | Very high | 92.4 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.7 | -43.8 | 177.1 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | P115 K121 | P115-S117 PolarHBondContact O-N 3.23Å; P115-S117 VanDerWaalsContact O-N 3.08Å; S117-K121 PolarHBondContact O-N 3.31Å |
| 118 | L | 95.3 | Very high | 92 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.5 | -41.5 | 177.3 | -64.6 | -176.1 | 0 | 0 | 0 | 111.3 | P83 P85 V88 P115 D116 N120 K121 I122 | P83-L118 WeakPolarHBondContact O-CD1 3.47Å; P85-L118 HydrophobicContact CB-CD2 4.34Å; P85-L118 HydrophobicContact CG-CD1 4.45Å; P85-L118 HydrophobicContact CG-CD2 4.3Å; V88-L118 HydrophobicContact CB-CD2 4.5Å; V88-L118 HydrophobicContact CG2-CB 4.31Å; V88-L118 HydrophobicContact CG2-CD1 4.19Å; P115-L118 HydrophobicContact CG-CD1 4.38Å; P115-L118 PolarHBondContact O-N 3.47Å; D116-L118 PolarHBondContact O-N 2.94Å; L118-N120 VanDerWaalsContact C-N 3.35Å; L118-N120 PolarHBondContact O-N 3.21Å; L118-K121 WeakPolarHBondContact O-CB 3.48Å; L118-K121 PolarHBondContact O-N 3.16Å; L118-I122 WeakPolarHBondContact O-CG1 3.17Å; L118-I122 PolarHBondContact O-N 3.07Å |
| 119 | F | 94.2 | Very high | 91.7 | Very high | 83 Ų | 83 | 58.8 Ų | 58.8 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 177.3 | -173.9 | -101 | 0 | 0 | 0 | 112 | P115 D116 K121 I122 K123 | P115-F119 PolarHBondContact O-N 2.97Å; D116-F119 PolarHBondContact O-N 3.45Å; F119-K121 VanDerWaalsContact C-N 3.32Å; F119-K121 PolarHBondContact O-N 3.43Å; F119-I122 WeakPolarHBondContact O-CB 3.31Å; F119-I122 PolarHBondContact O-N 2.73Å; F119-K123 PolarHBondContact O-N 3.26Å |
| 120 | N | 94.6 | Very high | 91.5 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 176.3 | -76.3 | -44.1 | 0 | 0 | 0 | 112.3 | D116 L118 I122 K123 A124 | D116-N120 VanDerWaalsContact O-CB 3.22Å; D116-N120 WeakPolarHBondContact O-CB 3.45Å; D116-N120 PolarHBondContact O-N 3.49Å; D116-N120 PolarHBondContact O-ND2 3.5Å; L118-N120 VanDerWaalsContact C-N 3.35Å; L118-N120 PolarHBondContact O-N 3.21Å; N120-I122 VanDerWaalsContact C-N 3.34Å; N120-I122 PolarHBondContact O-N 3.12Å; N120-K123 PolarHBondContact O-N 3.4Å; N120-A124 WeakPolarHBondContact O-CB 3.47Å; N120-A124 PolarHBondContact O-N 3.14Å |
| 121 | K | 93.7 | Very high | 91.4 | Very high | 92 Ų | 92 | 66.9 Ų | 66.9 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 173.2 | -160.7 | -178.4 | -177 | 171.2 | 0 | 111.4 | D89 L92 S117 L118 F119 A124 S125 | D89-K121 WeakPolarHBondContact OD1-CE 3.47Å; D89-K121 IonicContact OD1-NZ 2.6Å; D89-K121 PolarHBondContact OD1-NZ 2.69Å; D89-K121 IonicContact OD2-NZ 3.67Å; L92-K121 HydrophobicContact CD1-CB 4.47Å; L92-K121 HydrophobicContact CD1-CD 3.67Å; L92-K121 HydrophobicContact CD1-CG 3.64Å; S117-K121 PolarHBondContact O-N 3.31Å; L118-K121 WeakPolarHBondContact O-CB 3.48Å; L118-K121 PolarHBondContact O-N 3.16Å; F119-K121 VanDerWaalsContact C-N 3.32Å; F119-K121 PolarHBondContact O-N 3.43Å; K121-A124 PolarHBondContact O-N 2.76Å; K121-S125 PolarHBondContact O-N 2.89Å; K121-S125 PolarHBondContact O-OG 3.04Å |
| 122 | I | 93.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 175.8 | -67.8 | 168.2 | 0 | 0 | 0 | 111.5 | V88 F91 L92 I108 F110 L118 F119 N120 A124 S125 C126 I130 | V88-I122 HydrophobicContact CG1-CD1 3.97Å; V88-I122 HydrophobicContact CG1-CG1 3.76Å; V88-I122 HydrophobicContact CG2-CD1 4.23Å; F91-I122 HydrophobicContact CD1-CG1 4.35Å; F91-I122 HydrophobicContact CE1-CG1 4.31Å; F91-I122 HydrophobicContact CE1-CG2 4.06Å; L92-I122 HydrophobicContact CD2-CG1 4.4Å; I108-I122 HydrophobicContact CD1-CG2 4.44Å; F110-I122 HydrophobicContact CE2-CD1 4.15Å; F110-I122 HydrophobicContact CZ-CD1 3.66Å; L118-I122 WeakPolarHBondContact O-CG1 3.17Å; L118-I122 PolarHBondContact O-N 3.07Å; F119-I122 WeakPolarHBondContact O-CB 3.31Å; F119-I122 PolarHBondContact O-N 2.73Å; N120-I122 VanDerWaalsContact C-N 3.34Å; N120-I122 PolarHBondContact O-N 3.12Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 3.35Å; I122-S125 PolarHBondContact O-N 2.77Å; I122-C126 PolarHBondContact O-N 3.15Å; I122-I130 HydrophobicContact CG2-CD1 3.28Å |
| 123 | K | 90.9 | Very high | 91.5 | Very high | 133 Ų | 133 | 74.1 Ų | 74.1 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.6 | -41.1 | -179.5 | -172.2 | 177.8 | 179.1 | -179.9 | 0 | 112.2 | F119 N120 S127 | F119-K123 PolarHBondContact O-N 3.26Å; N120-K123 PolarHBondContact O-N 3.4Å; K123-S127 WeakPolarHBondContact O-CB 3.4Å; K123-S127 PolarHBondContact O-OG 3.07Å |
| 124 | A | 89.9 | Confident | 91.8 | Very high | 89 Ų | 89 | 73 Ų | 73 | 74% | 0.736 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.1 | -38 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N120 K121 I122 | N120-A124 WeakPolarHBondContact O-CB 3.47Å; N120-A124 PolarHBondContact O-N 3.14Å; K121-A124 PolarHBondContact O-N 2.76Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 3.35Å |
| 125 | S | 86.4 | Confident | 91.8 | Very high | 79 Ų | 79 | 76 Ų | 76 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -91.6 | -45.2 | -170 | -61.9 | 0 | 0 | 0 | 0 | 115 | K121 I122 | K121-S125 PolarHBondContact O-N 2.89Å; K121-S125 PolarHBondContact O-OG 3.04Å; I122-S125 PolarHBondContact O-N 2.77Å |
| 126 | C | 83.4 | Confident | 91.8 | Very high | 7 Ų | 7 | 74 Ų | 74 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -140.5 | 19.1 | -164.8 | 65.1 | 0 | 0 | 0 | 0 | 115.8 | F91 F95 I122 K128 S129 | F91-C126 WeakPolarHBondContact CE1-SG 3.37Å; F95-C126 HydrophobicContact CB-CB 3.79Å; I122-C126 PolarHBondContact O-N 3.15Å; C126-K128 PolarHBondContact O-N 2.88Å; C126-S129 WeakPolarHBondContact O-CB 3.35Å; C126-S129 PolarHBondContact O-N 3.45Å |
| 127 | S | 82.3 | Confident | 91.7 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -45.5 | -39.9 | -178.2 | 51.6 | 0 | 0 | 0 | 0 | 115.1 | K123 S129 I130 | K123-S127 WeakPolarHBondContact O-CB 3.4Å; K123-S127 PolarHBondContact O-OG 3.07Å; S127-S129 VanDerWaalsContact C-N 3.26Å; S127-S129 PolarHBondContact O-N 3.48Å; S127-I130 PolarHBondContact O-N 3.01Å |
| 128 | K | 88.5 | Confident | 91.6 | Very high | 179 Ų | 179 | 66.1 Ų | 66.1 | 78% | 0.778 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.2 | -179.8 | -62.6 | -176.5 | -179.6 | -178.8 | 0 | 114.5 | C126 | C126-K128 PolarHBondContact O-N 2.88Š|
| 129 | S | 91.5 | Very high | 91.6 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -89.3 | -15.8 | 179.8 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | K101 A105 A106 C126 S127 | K101-S129 PolarHBondContact NZ-OG 2.86Å; A105-S129 CarbonylContact C-O 3.52Å; A105-S129 VanDerWaalsContact CA-O 3.26Å; A105-S129 WeakPolarHBondContact CA-O 3.5Å; A105-S129 WeakPolarHBondContact CB-O 3.39Å; A106-S129 PolarHBondContact N-O 3.16Å; C126-S129 WeakPolarHBondContact O-CB 3.35Å; C126-S129 PolarHBondContact O-N 3.45Å; S127-S129 VanDerWaalsContact C-N 3.26Å; S127-S129 PolarHBondContact O-N 3.48Å |
| 130 | I | 94 | Very high | 91.8 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 16% | 0.159 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.8 | -176.1 | -59.1 | 172.3 | 0 | 0 | 0 | 109.2 | F91 A106 I108 I122 S127 R132 C133 | F91-I130 HydrophobicContact CE1-CD1 4.25Å; F91-I130 HydrophobicContact CZ-CD1 4.03Å; F91-I130 HydrophobicContact CZ-CG1 4.06Å; A106-I130 CarbonylContact O-C 3.57Å; A106-I130 WeakPolarHBondContact O-CA 3.4Å; I108-I130 HydrophobicContact CD1-CD1 3.68Å; I108-I130 HydrophobicContact CD1-CG1 3.95Å; I108-I130 HydrophobicContact CD1-CG2 4.14Å; I108-I130 HydrophobicContact CG1-CG2 4.45Å; I122-I130 HydrophobicContact CG2-CD1 3.28Å; S127-I130 PolarHBondContact O-N 3.01Å; I130-R132 VanDerWaalsContact CG2-O 3.26Å; I130-R132 WeakPolarHBondContact CG2-O 3.31Å; I130-C133 HydrophobicContact CG2-CB 4.19Å |
| 131 | R | 94.2 | Very high | 91.9 | Very high | 142 Ų | 142 | 58.1 Ų | 58.1 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -34.7 | 177.5 | -65.3 | -63.7 | -176.4 | -126 | 3.7 | 112.4 | A105 A106 Y107 | A105-R131 HydrophobicContact CB-CG 3.82Å; A106-R131 PolarHBondContact O-N 2.8Å; Y107-R131 HydrophobicContact CD1-CB 4Å; Y107-R131 HydrophobicContact CE1-CB 3.69Å |
| 132 | R | 94 | Very high | 92.1 | Very high | 125 Ų | 125 | 53.8 Ų | 53.8 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 145 | 175.7 | -63.7 | -68.2 | -166 | 164.4 | 7.4 | 108.6 | D25 Y107 I108 I130 | D25-R132 IonicContact OD1-CZ 3.83Å; D25-R132 IonicContact OD1-NH2 3.81Å; D25-R132 IonicContact OD2-NE 2.8Å; Y107-R132 HydrophobicContact CD1-CB 3.84Å; Y107-R132 HydrophobicContact CD1-CG 3.62Å; Y107-R132 HydrophobicContact CE1-CG 3.99Å; I108-R132 PolarHBondContact N-O 2.85Å; I130-R132 VanDerWaalsContact CG2-O 3.26Å; I130-R132 WeakPolarHBondContact CG2-O 3.31Å |
| 133 | C | 94.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 114.6 | 170.7 | -167.5 | 0 | 0 | 0 | 0 | 106.5 | I108 I130 | I108-C133 CarbonylContact O-C 3.44Å; I108-C133 VanDerWaalsContact O-CA 3.22Å; I108-C133 WeakPolarHBondContact O-CA 3.41Å; I130-C133 HydrophobicContact CG2-CB 4.19Å |
| 134 | K | 94.4 | Very high | 92.4 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 151.9 | -175.3 | -173.8 | 171.3 | -176.9 | 176.4 | 0 | 111.3 | I108 Y109 F110 | I108-K134 PolarHBondContact O-N 3.39Å; Y109-K134 CarbonylContact C-O 3.59Å; Y109-K134 VanDerWaalsContact CA-O 3.28Å; Y109-K134 WeakPolarHBondContact CA-O 3.4Å; Y109-K134 HydrophobicContact CD1-CB 4.01Å; Y109-K134 HydrophobicContact CE1-CB 4.08Å; F110-K134 PolarHBondContact N-O 3.25Å |
| 135 | E | 92.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 139 | 172.5 | -60.5 | 168.9 | 172.3 | 0 | 0 | 109.2 | F110 C114 | F110-E135 HydrophobicContact CB-CG 4.3Å; C114-E135 WeakPolarHBondContact CB-OE1 3.48Å; C114-E135 PolarHBondContact N-OE1 2.91Å |
| 136 | I | 91.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | trans | -110.7 | -24 | -173.2 | -59.4 | 161.7 | 0 | 0 | 0 | 112.5 | K17 T21 V22 F80 Y109 F110 I138 | K17-I136 WeakPolarHBondContact CE-O 3.25Å; K17-I136 HydrophobicContact CG-CG2 4.49Å; K17-I136 PolarHBondContact NZ-O 3.47Å; K17-I136 VanDerWaalsContact NZ-O 3.14Å; T21-I136 HydrophobicContact CG2-CG2 4.42Å; T21-I136 VanDerWaalsContact OG1-CG2 3.28Å; T21-I136 WeakPolarHBondContact OG1-CG2 3.46Å; V22-I136 HydrophobicContact CG2-CD1 3.23Å; V22-I136 HydrophobicContact CG2-CG1 4.37Å; F80-I136 HydrophobicContact CD2-CD1 4.07Å; F80-I136 HydrophobicContact CE2-CD1 3.71Å; Y109-I136 HydrophobicContact CD1-CD1 4.01Å; Y109-I136 HydrophobicContact CD1-CG1 4.36Å; Y109-I136 HydrophobicContact CG-CD1 4.2Å; F110-I136 PolarHBondContact O-N 3.22Å; I136-I138 HydrophobicContact CG2-CD1 3.59Å; I136-I138 HydrophobicContact CG2-CG1 3.9Å | ||
| 137 | N | 90.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 17% | 0.171 | 20% | 0.2 | C | C | . | . | trans | 59.5 | 63.7 | -175.9 | -52.1 | -60.1 | 0 | 0 | 0 | 111.6 | K17 T111 T183 T187 Y218 | K17-N137 PolarHBondContact NZ-O 3.15Å; T111-N137 CarbonylContact O-C 3.55Å; T111-N137 WeakPolarHBondContact O-CA 3.15Å; T111-N137 PolarHBondContact O-N 3.33Å; N137-T183 HydrophobicContact CB-CG2 4.08Å; N137-T183 WeakPolarHBondContact O-CB 3.48Å; N137-T187 PolarHBondContact O-OG1 2.98Å; N137-Y218 HydrophobicContact CB-CE2 4.47Å | ||
| 138 | I | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -137.7 | 91.9 | 168.8 | -57 | 168.6 | 0 | 0 | 0 | 107.7 | V14 K17 I18 L44 T111 I136 F140 | V14-I138 HydrophobicContact CG1-CG2 4.18Å; K17-I138 HydrophobicContact CB-CD1 4.13Å; K17-I138 HydrophobicContact CD-CD1 3.72Å; K17-I138 HydrophobicContact CD-CG1 3.84Å; K17-I138 HydrophobicContact CG-CD1 3.87Å; I18-I138 HydrophobicContact CD1-CD1 4.48Å; I18-I138 HydrophobicContact CG1-CD1 3.72Å; L44-I138 HydrophobicContact CD1-CG2 4.11Å; L44-I138 HydrophobicContact CD2-CB 4.5Å; L44-I138 HydrophobicContact CD2-CG2 3.78Å; T111-I138 WeakPolarHBondContact CB-O 3.34Å; T111-I138 CarbonylContact O-C 3.53Å; T111-I138 PolarHBondContact O-N 3.16Å; I136-I138 HydrophobicContact CG2-CD1 3.59Å; I136-I138 HydrophobicContact CG2-CG1 3.9Å; I138-F140 HydrophobicContact CG2-CD1 4.44Å; I138-F140 HydrophobicContact CG2-CE1 4.21Å | ||
| 139 | S | 95.2 | Very high | 95 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | trans | -119.7 | 31.5 | -177.9 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | T111 D112 Q180 T183 | T111-S139 PolarHBondContact O-OG 2.91Å; D112-S139 WeakPolarHBondContact CB-OG 3.4Å; D112-S139 VanDerWaalsContact OD2-CB 3.24Å; D112-S139 WeakPolarHBondContact OD2-CB 3.44Å; D112-S139 PolarHBondContact OD2-OG 3.46Å; S139-Q180 WeakPolarHBondContact O-CG 3.21Å; S139-Q180 PolarHBondContact O-NE2 3.33Å; S139-T183 PolarHBondContact N-OG1 2.84Å | ||
| 140 | F | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -134.4 | 164.5 | 175.1 | 70 | -86.5 | 0 | 0 | 0 | 110.3 | L10 V14 L44 I138 P142 Y148 L150 V184 T187 | L10-F140 HydrophobicContact CD1-CE2 4.17Å; L10-F140 HydrophobicContact CD1-CZ 4.23Å; L10-F140 HydrophobicContact CD2-CE2 3.92Å; L10-F140 HydrophobicContact CG-CE2 4.13Å; V14-F140 HydrophobicContact CG2-CE2 3.82Å; V14-F140 HydrophobicContact CG2-CZ 3.6Å; L44-F140 WeakPolarHBondContact CD1-O 3.16Å; I138-F140 HydrophobicContact CG2-CD1 4.44Å; I138-F140 HydrophobicContact CG2-CE1 4.21Å; F140-P142 HydrophobicContact CE2-CB 4.43Å; F140-Y148 HydrophobicContact CD2-CG 4.49Å; F140-L150 HydrophobicContact CB-CD2 3.94Å; F140-V184 HydrophobicContact CB-CG2 3.84Å; F140-V184 HydrophobicContact CD1-CB 4.19Å; F140-V184 HydrophobicContact CD1-CG2 3.38Å; F140-V184 HydrophobicContact CD2-CG2 4.1Å; F140-V184 HydrophobicContact CE1-CB 4.25Å; F140-V184 HydrophobicContact CE1-CG2 3.9Å; F140-V184 HydrophobicContact CG-CG2 3.49Å; F140-V184 VanDerWaalsContact CG-CG2 3.49Å; F140-V184 HydrophobicContact CZ-CG2 4.43Å; F140-T187 HydrophobicContact CE1-CG2 4.19Å; F140-T187 HydrophobicContact CZ-CG2 3.91Å |
| 141 | I | 97.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 8% | 0.082 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.9 | 176.8 | -54.2 | -61.3 | 0 | 0 | 0 | 109.5 | F40 R43 L44 H143 Y148 T149 D151 | F40-I141 HydrophobicContact CD2-CD1 4Å; F40-I141 HydrophobicContact CE2-CD1 3.5Å; F40-I141 VanDerWaalsContact CE2-CD1 3.5Å; F40-I141 HydrophobicContact CE2-CG1 3.99Å; F40-I141 HydrophobicContact CZ-CD1 3.99Å; R43-I141 HydrophobicContact CB-CD1 4.18Å; L44-I141 HydrophobicContact CB-CD1 3.81Å; L44-I141 HydrophobicContact CD1-CD1 4.32Å; I141-H143 PolarHBondContact O-N 3.21Å; I141-Y148 WeakPolarHBondContact O-CA 3.49Å; I141-T149 PolarHBondContact N-O 3.38Å; I141-T149 PolarHBondContact O-N 3.34Å; I141-D151 HydrophobicContact CG1-CB 4.22Å |
| 142 | P | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 107.1 | 169.7 | 32.5 | -34.8 | 0 | 0 | 0 | 109.5 | L10 K11 V14 L44 S47 C48 F140 | L10-P142 HydrophobicContact CB-CB 4.44Å; L10-P142 HydrophobicContact CD2-CB 4.16Å; L10-P142 HydrophobicContact CG-CB 3.95Å; K11-P142 WeakPolarHBondContact CE-O 3.47Å; K11-P142 HydrophobicContact CG-CB 3.84Å; K11-P142 HydrophobicContact CG-CG 4.11Å; V14-P142 HydrophobicContact CB-CG 4.08Å; V14-P142 HydrophobicContact CG1-CG 4.14Å; V14-P142 HydrophobicContact CG2-CB 4.19Å; V14-P142 HydrophobicContact CG2-CG 3.95Å; L44-P142 HydrophobicContact CD1-CG 4.5Å; S47-P142 WeakPolarHBondContact OG-CD 3.21Å; S47-P142 WeakPolarHBondContact OG-CG 3.25Å; C48-P142 HydrophobicContact CB-CG 4.45Å; F140-P142 HydrophobicContact CE2-CB 4.43Å |
| 143 | H | 95 | Very high | 95.5 | Very high | 36 Ų | 36 | 24.4 Ų | 24.4 | 17% | 0.167 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -43 | -178 | -172.1 | 68.2 | 0 | 0 | 0 | 111.7 | K11 I141 V147 D267 I567 | K11-H143 WeakPolarHBondContact CE-O 3.24Å; K11-H143 PolarHBondContact NZ-O 3.11Å; I141-H143 PolarHBondContact O-N 3.21Å; H143-V147 HydrophobicContact CB-CB 4.5Å; H143-V147 HydrophobicContact CB-CG1 4.28Å; H143-V147 PolarHBondContact N-O 3.38Å; H143-D267 IonicContact CE1-OD2 3.65Å; H143-I567 HydrophobicContact CB-CD1 4.31Å; H143-I567 WeakPolarHBondContact CD2-CD1 2.99Å; H143-I567 WeakPolarHBondContact NE2-CD1 3.32Å |
| 144 | E | 95.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | -179.6 | 175.1 | -53 | -176.9 | 155.8 | 0 | 0 | 110.6 | Q146 V147 Q255 E284 R293 M545 Y549 | E144-Q146 PolarHBondContact O-N 3.29Å; E144-Q146 VanDerWaalsContact O-N 3.14Å; E144-V147 HydrophobicContact CB-CB 3.99Å; E144-V147 HydrophobicContact CB-CG2 4.14Å; E144-V147 HydrophobicContact CG-CB 4.26Å; E144-V147 HydrophobicContact CG-CG2 4.4Å; E144-V147 PolarHBondContact N-O 3.38Å; E144-V147 VanDerWaalsContact N-O 3.09Å; E144-V147 PolarHBondContact O-N 3.49Å; E144-Q255 PolarHBondContact OE1-NE2 2.93Å; E144-E284 HydrophobicContact CB-CG 4.32Å; E144-R293 IonicContact OE1-CZ 3.69Å; E144-R293 IonicContact OE1-NE 3.56Å; E144-R293 IonicContact OE1-NH1 3.67Å; E144-R293 PolarHBondContact OE1-NH1 2.68Å; E144-R293 IonicContact OE2-CZ 3.42Å; E144-R293 IonicContact OE2-NE 3.89Å; E144-R293 IonicContact OE2-NH1 2.75Å; E144-R293 IonicContact OE2-NH2 3.05Å; E144-R293 PolarHBondContact OE2-NH2 3.08Å; E144-M545 VanDerWaalsContact CD-CE 3.48Å; E144-M545 HydrophobicContact CG-CE 4.22Å; E144-M545 WeakPolarHBondContact OE1-CE 3.36Å; E144-Y549 WeakPolarHBondContact CB-OH 3.48Å; E144-Y549 WeakPolarHBondContact OE2-CE2 3.48Å; E144-Y549 PolarHBondContact OE2-OH 3.49Å |
| 145 | S | 94.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31.8 | 179 | -65.9 | 0 | 0 | 0 | 0 | 114 | L10 E284 Y549 | L10-S145 WeakPolarHBondContact CB-O 3.47Å; L10-S145 PolarHBondContact N-O 2.68Å; S145-E284 WeakPolarHBondContact CB-OE2 3.29Å; S145-E284 PolarHBondContact N-OE2 3.14Å; S145-E284 PolarHBondContact OG-OE2 2.92Å; S145-Y549 PolarHBondContact N-OH 2.94Å |
| 146 | Q | 96.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 19 Ų | 19 | 11% | 0.107 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 10.6 | -179.7 | -59.1 | -172.6 | -114.2 | 0 | 0 | 113.3 | E144 Y549 S552 V560 I561 I562 | E144-Q146 PolarHBondContact O-N 3.29Å; E144-Q146 VanDerWaalsContact O-N 3.14Å; Q146-Y549 HydrophobicContact CB-CD1 4.41Å; Q146-Y549 HydrophobicContact CB-CE1 3.86Å; Q146-Y549 HydrophobicContact CB-CE2 4.25Å; Q146-Y549 HydrophobicContact CG-CD1 4.11Å; Q146-Y549 HydrophobicContact CG-CE1 3.68Å; Q146-Y549 PolarHBondContact N-OH 3.08Å; Q146-Y549 VanDerWaalsContact OE1-CE1 3.3Å; Q146-S552 VanDerWaalsContact NE2-CB 3.32Å; Q146-S552 PolarHBondContact NE2-OG 2.94Å; Q146-V560 PolarHBondContact NE2-O 3.05Å; Q146-I561 WeakPolarHBondContact O-CA 3.16Å; Q146-I562 PolarHBondContact O-N 3.41Å |
| 147 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.6 | -172.9 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | H143 E144 I540 M545 Y549 I562 | H143-V147 HydrophobicContact CB-CB 4.5Å; H143-V147 HydrophobicContact CB-CG1 4.28Å; H143-V147 PolarHBondContact N-O 3.38Å; E144-V147 HydrophobicContact CB-CB 3.99Å; E144-V147 HydrophobicContact CB-CG2 4.14Å; E144-V147 HydrophobicContact CG-CB 4.26Å; E144-V147 HydrophobicContact CG-CG2 4.4Å; E144-V147 PolarHBondContact N-O 3.38Å; E144-V147 VanDerWaalsContact N-O 3.09Å; E144-V147 PolarHBondContact O-N 3.49Å; V147-I540 HydrophobicContact CG1-CD1 3.87Å; V147-M545 HydrophobicContact CB-CE 4.3Å; V147-M545 HydrophobicContact CG1-CE 3.97Å; V147-M545 HydrophobicContact CG1-CG 3.9Å; V147-M545 HydrophobicContact CG1-SD 4.11Å; V147-M545 HydrophobicContact CG2-CB 4.03Å; V147-M545 HydrophobicContact CG2-CE 3.96Å; V147-M545 HydrophobicContact CG2-CG 3.9Å; V147-Y549 HydrophobicContact CG2-CE2 3.94Å; V147-I562 CarbonylContact C-O 3.4Å; V147-I562 VanDerWaalsContact CA-O 3.23Å; V147-I562 WeakPolarHBondContact CA-O 3.38Å; V147-I562 HydrophobicContact CG2-CG2 3.94Å |
| 148 | Y | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.3 | 174.6 | 69.9 | -85.9 | 0 | 0 | 0 | 113.5 | L10 F140 I141 L150 V184 I533 I534 F535 I561 I562 G563 S564 | L10-Y148 HydrophobicContact CD2-CD1 4.41Å; L10-Y148 HydrophobicContact CD2-CG 4.45Å; F140-Y148 HydrophobicContact CD2-CG 4.49Å; I141-Y148 WeakPolarHBondContact O-CA 3.49Å; Y148-L150 HydrophobicContact CD2-CD2 4.22Å; Y148-L150 HydrophobicContact CE2-CD2 4.14Å; Y148-V184 HydrophobicContact CD1-CG1 4.41Å; Y148-V184 HydrophobicContact CD2-CG2 3.8Å; Y148-V184 HydrophobicContact CE1-CG1 4.15Å; Y148-V184 HydrophobicContact CE2-CG1 4.28Å; Y148-V184 HydrophobicContact CE2-CG2 3.73Å; Y148-V184 HydrophobicContact CG-CG2 4.46Å; Y148-I533 HydrophobicContact CE1-CG2 4.17Å; Y148-I534 PolarHBondContact OH-O 3.04Å; Y148-F535 AromaticContact CE2-CD2 3.94Å; Y148-F535 HydrophobicContact CE2-CD2 3.94Å; Y148-F535 HydrophobicContact CE2-CE2 4.35Å; Y148-I561 HydrophobicContact CD1-CG2 3.67Å; Y148-I561 HydrophobicContact CE1-CG2 3.89Å; Y148-I562 VanDerWaalsContact CD1-O 3.31Å; Y148-I562 WeakPolarHBondContact CD1-O 3.26Å; Y148-I562 PolarHBondContact N-O 2.99Å; Y148-G563 VanDerWaalsContact CE1-N 3.35Å; Y148-G563 WeakPolarHBondContact O-CA 3.32Å; Y148-S564 PolarHBondContact O-N 3.32Å |
| 149 | T | 98.2 | Very high | 96.5 | Very high | 14 Ų | 14 | 19.5 Ų | 19.5 | 9% | 0.086 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145 | 172.7 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | I141 D151 S564 I567 | I141-T149 PolarHBondContact N-O 3.38Å; I141-T149 PolarHBondContact O-N 3.34Å; T149-D151 VanDerWaalsContact C-N 3.29Å; T149-S564 CarbonylContact C-O 3.55Å; T149-S564 VanDerWaalsContact CA-O 3.27Å; T149-S564 WeakPolarHBondContact CA-O 3.19Å; T149-I567 HydrophobicContact CG2-CD1 4.15Å; T149-I567 HydrophobicContact CG2-CG1 3.87Å |
| 150 | L | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | trans | -82.5 | -8.1 | 172.1 | -55.8 | -170.8 | 0 | 0 | 0 | 113.2 | F140 Y148 V152 M177 Q180 I181 V184 F535 S564 | F140-L150 HydrophobicContact CB-CD2 3.94Å; Y148-L150 HydrophobicContact CD2-CD2 4.22Å; Y148-L150 HydrophobicContact CE2-CD2 4.14Å; L150-V152 VanDerWaalsContact C-N 3.35Å; L150-V152 HydrophobicContact CB-CG2 3.81Å; L150-V152 PolarHBondContact O-N 2.91Å; L150-M177 HydrophobicContact CD1-CB 3.95Å; L150-M177 HydrophobicContact CD1-CG 3.92Å; L150-Q180 HydrophobicContact CD1-CB 4.16Å; L150-Q180 HydrophobicContact CD2-CB 3.74Å; L150-Q180 HydrophobicContact CG-CB 4.35Å; L150-Q180 PolarHBondContact O-NE2 3.24Å; L150-I181 HydrophobicContact CD1-CD1 4.4Å; L150-I181 HydrophobicContact CD1-CG1 3.99Å; L150-V184 HydrophobicContact CD2-CG2 4.44Å; L150-F535 HydrophobicContact CD1-CE1 4.38Å; L150-F535 HydrophobicContact CD1-CE2 3.45Å; L150-F535 VanDerWaalsContact CD1-CE2 3.45Å; L150-F535 HydrophobicContact CD1-CZ 3.35Å; L150-F535 HydrophobicContact CD2-CE2 4.37Å; L150-F535 HydrophobicContact CG-CE2 3.63Å; L150-F535 HydrophobicContact CG-CZ 3.99Å; L150-S564 PolarHBondContact N-O 3.06Å | ||
| 151 | D | 94.5 | Very high | 96.6 | Very high | 57 Ų | 57 | 20.2 Ų | 20.2 | 31% | 0.305 | 11% | 0.11 | S | C | . | . | trans | 59.1 | 43.2 | 178.3 | -163.6 | 28.8 | 0 | 0 | 0 | 113 | R43 I141 T149 P153 T565 | R43-D151 IonicContact CZ-OD2 2.81Å; R43-D151 IonicContact NE-OD2 3.75Å; R43-D151 PolarHBondContact NE-OD2 2.87Å; R43-D151 IonicContact NH2-OD2 3.16Å; R43-D151 PolarHBondContact NH2-OD2 3.27Å; I141-D151 HydrophobicContact CG1-CB 4.22Å; T149-D151 VanDerWaalsContact C-N 3.29Å; D151-P153 VanDerWaalsContact C-CD 3.47Å; D151-T565 WeakPolarHBondContact CA-O 3.37Å; D151-T565 PolarHBondContact N-O 3.33Å | ||
| 152 | V | 95.4 | Very high | 96.5 | Very high | 35 Ų | 35 | 22.7 Ų | 22.7 | 21% | 0.212 | 13% | 0.127 | C | C | . | . | trans | -128.2 | 62.4 | -179 | -67.3 | 0 | 0 | 0 | 0 | 111 | L150 D154 A155 M177 T565 | L150-V152 VanDerWaalsContact C-N 3.35Å; L150-V152 HydrophobicContact CB-CG2 3.81Å; L150-V152 PolarHBondContact O-N 2.91Å; V152-D154 PolarHBondContact O-N 2.98Å; V152-D154 VanDerWaalsContact O-N 3.16Å; V152-A155 HydrophobicContact CB-CB 4.41Å; V152-A155 HydrophobicContact CG2-CB 4.07Å; V152-A155 WeakPolarHBondContact O-CB 3.04Å; V152-A155 PolarHBondContact O-N 2.97Å; V152-M177 HydrophobicContact CG2-CG 3.99Å; V152-M177 HydrophobicContact CG2-SD 4.31Å; V152-T565 HydrophobicContact CG2-CG2 3.91Å; V152-T565 PolarHBondContact N-O 2.85Å | ||
| 153 | P | 95.2 | Very high | 96.4 | Very high | 61 Ų | 61 | 25 Ų | 25 | 40% | 0.396 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.6 | -176.5 | 23.4 | -34 | 0 | 0 | 0 | 112.9 | D151 A155 F156 H566 | D151-P153 VanDerWaalsContact C-CD 3.47Å; P153-A155 PolarHBondContact O-N 3.49Å; P153-F156 WeakPolarHBondContact O-CB 3.32Å; P153-F156 PolarHBondContact O-N 3.11Å; P153-H566 HydrophobicContact CB-CB 4.26Å |
| 154 | D | 94.9 | Very high | 96.2 | Very high | 92 Ų | 92 | 28.6 Ų | 28.6 | 49% | 0.492 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.1 | 176.5 | -78 | -27.4 | 0 | 0 | 0 | 114.6 | V152 F156 Y157 Y158 K584 | V152-D154 PolarHBondContact O-N 2.98Å; V152-D154 VanDerWaalsContact O-N 3.16Å; D154-F156 PolarHBondContact O-N 3.4Å; D154-Y157 PolarHBondContact O-N 3.28Å; D154-Y158 HydrophobicContact CB-CD2 4.14Å; D154-Y158 HydrophobicContact CB-CE2 3.86Å; D154-Y158 WeakPolarHBondContact O-CD2 2.75Å; D154-Y158 PolarHBondContact O-N 2.9Å; D154-Y158 VanDerWaalsContact O-N 3.12Å; D154-K584 IonicContact OD1-NZ 2.96Å; D154-K584 PolarHBondContact OD1-NZ 3.13Å; D154-K584 IonicContact OD2-NZ 3.73Å |
| 155 | A | 96 | Very high | 96 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -30 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V152 P153 Y158 C159 V173 M177 T565 | V152-A155 HydrophobicContact CB-CB 4.41Å; V152-A155 HydrophobicContact CG2-CB 4.07Å; V152-A155 WeakPolarHBondContact O-CB 3.04Å; V152-A155 PolarHBondContact O-N 2.97Å; P153-A155 PolarHBondContact O-N 3.49Å; A155-Y158 PolarHBondContact O-N 3.42Å; A155-C159 WeakPolarHBondContact O-CB 3.46Å; A155-C159 PolarHBondContact O-N 3.22Å; A155-C159 PolarHBondContact O-SG 3.35Å; A155-V173 HydrophobicContact CB-CG1 3.54Å; A155-M177 HydrophobicContact CB-SD 3.91Å; A155-T565 HydrophobicContact CB-CG2 3.73Å |
| 156 | F | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.5 | -54.2 | 173.9 | -175.2 | -93.7 | 0 | 0 | 0 | 110.9 | P153 D154 Y160 R240 L445 G538 L573 D576 I577 L580 | P153-F156 WeakPolarHBondContact O-CB 3.32Å; P153-F156 PolarHBondContact O-N 3.11Å; D154-F156 PolarHBondContact O-N 3.4Å; F156-Y160 AromaticContact CD2-CD2 3.86Å; F156-Y160 HydrophobicContact CD2-CD2 3.86Å; F156-Y160 HydrophobicContact CD2-CE2 4.06Å; F156-Y160 AromaticContact CE2-CD2 3.99Å; F156-Y160 HydrophobicContact CE2-CD2 3.99Å; F156-Y160 HydrophobicContact CE2-CE2 4.26Å; F156-Y160 HydrophobicContact CG-CD2 4.26Å; F156-Y160 HydrophobicContact CZ-CD2 4.47Å; F156-Y160 WeakPolarHBondContact O-CD2 3.43Å; F156-Y160 PolarHBondContact O-N 3.48Å; F156-Y160 VanDerWaalsContact O-N 3.16Å; F156-R240 HydrophobicContact CE2-CG 4.3Å; F156-L445 HydrophobicContact CE2-CD2 4.06Å; F156-L445 HydrophobicContact CZ-CD1 4.18Å; F156-L445 HydrophobicContact CZ-CD2 4.03Å; F156-G538 WeakPolarHBondContact CD2-O 3.44Å; F156-L573 HydrophobicContact CE2-CD1 3.67Å; F156-L573 HydrophobicContact CZ-CD1 3.66Å; F156-D576 HydrophobicContact CD1-CB 3.67Å; F156-D576 HydrophobicContact CE1-CB 3.72Å; F156-D576 HydrophobicContact CG-CB 4.5Å; F156-I577 HydrophobicContact CE1-CG1 3.98Å; F156-I577 HydrophobicContact CZ-CD1 4.43Å; F156-I577 HydrophobicContact CZ-CG1 3.62Å; F156-L580 HydrophobicContact CD1-CD2 3.97Å; F156-L580 HydrophobicContact CE1-CD1 3.99Å; F156-L580 HydrophobicContact CE1-CD2 3.78Å; F156-L580 HydrophobicContact CE1-CG 4.05Å; F156-L580 HydrophobicContact CZ-CD1 4.39Å |
| 157 | Y | 97.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -51 | 178.8 | 177.6 | -92.1 | 0 | 0 | 0 | 111.9 | D154 C159 Y160 S161 N166 M579 L580 K582 K584 | D154-Y157 PolarHBondContact O-N 3.28Å; Y157-C159 PolarHBondContact O-N 3.07Å; Y157-Y160 PolarHBondContact O-N 2.86Å; Y157-S161 WeakPolarHBondContact O-CA 3.23Å; Y157-S161 WeakPolarHBondContact O-CB 3.34Å; Y157-S161 PolarHBondContact O-N 3.1Å; Y157-N166 VanDerWaalsContact CE1-ND2 3.31Å; Y157-N166 WeakPolarHBondContact CE1-ND2 3.08Å; Y157-N166 PolarHBondContact OH-ND2 3.36Å; Y157-M579 WeakPolarHBondContact CE2-O 3.49Å; Y157-L580 HydrophobicContact CD2-CD2 4.46Å; Y157-K582 VanDerWaalsContact CE2-O 3.29Å; Y157-K582 WeakPolarHBondContact CE2-O 3.46Å; Y157-K582 PolarHBondContact OH-O 3.27Å; Y157-K584 HydrophobicContact CD1-CD 3.52Å; Y157-K584 HydrophobicContact CD1-CG 3.95Å; Y157-K584 HydrophobicContact CD2-CG 4.39Å; Y157-K584 HydrophobicContact CE1-CB 4Å; Y157-K584 HydrophobicContact CE1-CD 3.63Å; Y157-K584 HydrophobicContact CE1-CG 3.65Å; Y157-K584 HydrophobicContact CE2-CG 4.13Å; Y157-K584 HydrophobicContact CG-CD 4.05Å; Y157-K584 HydrophobicContact CG-CG 4.3Å; Y157-K584 PolarHBondContact OH-N 3.01Å; Y157-K584 VanDerWaalsContact OH-N 3.15Å |
| 158 | Y | 96.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.9 | -30.6 | -174.7 | -64.4 | -58 | 0 | 0 | 0 | 113.6 | D154 A155 N166 R169 K170 V173 K584 | D154-Y158 HydrophobicContact CB-CD2 4.14Å; D154-Y158 HydrophobicContact CB-CE2 3.86Å; D154-Y158 WeakPolarHBondContact O-CD2 2.75Å; D154-Y158 PolarHBondContact O-N 2.9Å; D154-Y158 VanDerWaalsContact O-N 3.12Å; A155-Y158 PolarHBondContact O-N 3.42Å; Y158-N166 HydrophobicContact CD1-CB 4.26Å; Y158-R169 HydrophobicContact CD1-CB 3.78Å; Y158-R169 HydrophobicContact CE1-CB 3.88Å; Y158-R169 VanDerWaalsContact CE1-CD 3.42Å; Y158-R169 HydrophobicContact CE1-CG 4.3Å; Y158-R169 HydrophobicContact CG-CB 4.3Å; Y158-K170 WeakPolarHBondContact O-CB 3.34Å; Y158-K170 WeakPolarHBondContact O-CD 3.44Å; Y158-K170 WeakPolarHBondContact O-CG 3.45Å; Y158-V173 HydrophobicContact CD2-CG2 3.9Å; Y158-K584 HydrophobicContact CE1-CD 4.19Å |
| 159 | C | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.8 | -34.3 | 177.9 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | A155 Y157 K170 N203 I537 | A155-C159 WeakPolarHBondContact O-CB 3.46Å; A155-C159 PolarHBondContact O-N 3.22Å; A155-C159 PolarHBondContact O-SG 3.35Å; Y157-C159 PolarHBondContact O-N 3.07Å; C159-K170 PolarHBondContact O-NZ 2.71Å; C159-N203 PolarHBondContact O-ND2 3.26Å; C159-I537 HydrophobicContact CB-CG2 4.12Å |
| 160 | Y | 97.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -109.5 | -13.8 | -171.8 | -61 | -62.4 | 0 | 0 | 0 | 115.4 | F156 Y157 L201 N203 D239 R240 H444 L445 I537 | F156-Y160 AromaticContact CD2-CD2 3.86Å; F156-Y160 HydrophobicContact CD2-CD2 3.86Å; F156-Y160 HydrophobicContact CD2-CE2 4.06Å; F156-Y160 AromaticContact CE2-CD2 3.99Å; F156-Y160 HydrophobicContact CE2-CD2 3.99Å; F156-Y160 HydrophobicContact CE2-CE2 4.26Å; F156-Y160 HydrophobicContact CG-CD2 4.26Å; F156-Y160 HydrophobicContact CZ-CD2 4.47Å; F156-Y160 WeakPolarHBondContact O-CD2 3.43Å; F156-Y160 PolarHBondContact O-N 3.48Å; F156-Y160 VanDerWaalsContact O-N 3.16Å; Y157-Y160 PolarHBondContact O-N 2.86Å; Y160-L201 HydrophobicContact CD1-CD1 3.91Å; Y160-L201 HydrophobicContact CE1-CD1 3.72Å; Y160-N203 WeakPolarHBondContact CE1-ND2 3.25Å; Y160-D239 WeakPolarHBondContact CE1-OD1 3.44Å; Y160-D239 WeakPolarHBondContact OH-CA 3.42Å; Y160-D239 PolarHBondContact OH-OD1 3.48Å; Y160-R240 HydrophobicContact CE2-CB 4.18Å; Y160-R240 PolarHBondContact OH-N 2.91Å; Y160-H444 WeakPolarHBondContact O-CB 3.47Å; Y160-L445 HydrophobicContact CD1-CD1 4.45Å; Y160-L445 HydrophobicContact CD1-CG 4.06Å; Y160-L445 HydrophobicContact CD2-CG 4.37Å; Y160-L445 HydrophobicContact CE1-CG 4.42Å; Y160-L445 HydrophobicContact CG-CD1 4.14Å; Y160-L445 HydrophobicContact CG-CG 4.07Å; Y160-I537 HydrophobicContact CE2-CG2 4.45Å; Y160-I537 PolarHBondContact OH-O 2.8Å; Y160-I537 VanDerWaalsContact OH-O 3.11Å |
| 161 | S | 96.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | trans | -58.4 | 131.9 | 176 | 156.4 | 0 | 0 | 0 | 0 | 111 | Y157 D163 N166 | Y157-S161 WeakPolarHBondContact O-CA 3.23Å; Y157-S161 WeakPolarHBondContact O-CB 3.34Å; Y157-S161 PolarHBondContact O-N 3.1Å; S161-D163 PolarHBondContact O-N 3.38Å; S161-D163 WeakPolarHBondContact OG-CB 3.27Å; S161-D163 PolarHBondContact OG-N 3.05Å; S161-D163 VanDerWaalsContact OG-N 3.07Å; S161-N166 PolarHBondContact OG-ND2 3.29Å; S161-N166 VanDerWaalsContact OG-ND2 3.08Å | ||
| 162 | P | 95.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 49 Ų | 49 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | trans | -74.7 | -12 | 173.2 | 34.1 | -38.2 | 0 | 0 | 0 | 113.4 | P164 L580 | P162-P164 WeakPolarHBondContact O-CD 3.47Å; P162-L580 WeakPolarHBondContact CD-O 3.39Å | ||
| 163 | D | 94.1 | Very high | 95.3 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | trans | -65 | 115.1 | -178.8 | -175.4 | -14.7 | 0 | 0 | 0 | 111.6 | S161 S165 N166 | S161-D163 PolarHBondContact O-N 3.38Å; S161-D163 WeakPolarHBondContact OG-CB 3.27Å; S161-D163 PolarHBondContact OG-N 3.05Å; S161-D163 VanDerWaalsContact OG-N 3.07Å; D163-S165 PolarHBondContact O-N 2.79Å; D163-S165 VanDerWaalsContact OD1-CB 3.26Å; D163-S165 WeakPolarHBondContact OD1-CB 3.25Å; D163-S165 PolarHBondContact OD1-N 3.48Å; D163-S165 PolarHBondContact OD1-OG 3.11Å; D163-S165 PolarHBondContact OD2-OG 3.41Å; D163-S165 VanDerWaalsContact OD2-OG 3.06Å; D163-N166 WeakPolarHBondContact O-CB 3.49Å; D163-N166 PolarHBondContact O-N 2.98Å | ||
| 164 | P | 90.8 | Very high | 95.5 | Very high | 110 Ų | 110 | 46.3 Ų | 46.3 | 71% | 0.714 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -67 | -19.9 | -177.6 | 28.1 | -35.4 | 0 | 0 | 0 | 113.4 | P162 N166 A167 | P162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-N166 PolarHBondContact O-N 3.13Å; P164-A167 WeakPolarHBondContact O-CB 3.33Å; P164-A167 PolarHBondContact O-N 3.1Å; P164-A167 VanDerWaalsContact O-N 3.15Å |
| 165 | S | 92.8 | Very high | 95.5 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.4 | 175.9 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | D163 A167 | D163-S165 PolarHBondContact O-N 2.79Å; D163-S165 VanDerWaalsContact OD1-CB 3.26Å; D163-S165 WeakPolarHBondContact OD1-CB 3.25Å; D163-S165 PolarHBondContact OD1-N 3.48Å; D163-S165 PolarHBondContact OD1-OG 3.11Å; D163-S165 PolarHBondContact OD2-OG 3.41Å; D163-S165 VanDerWaalsContact OD2-OG 3.06Å; S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 PolarHBondContact O-N 3.15Å |
| 166 | N | 92.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -81.2 | -1.9 | 177.8 | -71.6 | -44.6 | 0 | 0 | 0 | 113.9 | Y157 Y158 S161 D163 P164 G168 R169 K170 | Y157-N166 VanDerWaalsContact CE1-ND2 3.31Å; Y157-N166 WeakPolarHBondContact CE1-ND2 3.08Å; Y157-N166 PolarHBondContact OH-ND2 3.36Å; Y158-N166 HydrophobicContact CD1-CB 4.26Å; S161-N166 PolarHBondContact OG-ND2 3.29Å; S161-N166 VanDerWaalsContact OG-ND2 3.08Å; D163-N166 WeakPolarHBondContact O-CB 3.49Å; D163-N166 PolarHBondContact O-N 2.98Å; P164-N166 PolarHBondContact O-N 3.13Å; N166-G168 PolarHBondContact O-N 2.83Å; N166-R169 PolarHBondContact O-N 3.11Å; N166-K170 WeakPolarHBondContact O-CB 3.46Å; N166-K170 PolarHBondContact O-N 2.83Å |
| 167 | A | 93.2 | Very high | 95.4 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 50% | 0.504 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.5 | -48.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P164 S165 R169 K170 E171 | P164-A167 WeakPolarHBondContact O-CB 3.33Å; P164-A167 PolarHBondContact O-N 3.1Å; P164-A167 VanDerWaalsContact O-N 3.15Å; S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 PolarHBondContact O-N 3.15Å; A167-R169 PolarHBondContact O-N 3.05Å; A167-K170 WeakPolarHBondContact O-CB 3.22Å; A167-K170 PolarHBondContact O-N 3.44Å; A167-E171 PolarHBondContact O-N 3.26Å |
| 168 | G | 94.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.5 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N166 A172 | N166-G168 PolarHBondContact O-N 2.83Å; G168-A172 WeakPolarHBondContact O-CB 3.38Å; G168-A172 PolarHBondContact O-N 3.47Å |
| 169 | R | 94.7 | Very high | 95.4 | Very high | 104 Ų | 104 | 47.9 Ų | 47.9 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.6 | -38 | 175.1 | -66.2 | -178.8 | 179.9 | 164.7 | -6.2 | 111.3 | Y158 N166 A167 A172 V173 D585 | Y158-R169 HydrophobicContact CD1-CB 3.78Å; Y158-R169 HydrophobicContact CE1-CB 3.88Å; Y158-R169 VanDerWaalsContact CE1-CD 3.42Å; Y158-R169 HydrophobicContact CE1-CG 4.3Å; Y158-R169 HydrophobicContact CG-CB 4.3Å; N166-R169 PolarHBondContact O-N 3.11Å; A167-R169 PolarHBondContact O-N 3.05Å; R169-A172 PolarHBondContact O-N 2.85Å; R169-V173 WeakPolarHBondContact O-CB 3.35Å; R169-V173 VanDerWaalsContact O-CG2 3.29Å; R169-V173 WeakPolarHBondContact O-CG2 3.36Å; R169-V173 PolarHBondContact O-N 3.04Å; R169-D585 IonicContact NH1-OD1 3.96Å; R169-D585 IonicContact NH2-OD1 2.81Å |
| 170 | K | 96.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 19% | 0.191 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 174.5 | 179.2 | 174 | 179.6 | 159.2 | 0 | 111.2 | Y158 C159 N166 A167 V173 M174 N203 | Y158-K170 WeakPolarHBondContact O-CB 3.34Å; Y158-K170 WeakPolarHBondContact O-CD 3.44Å; Y158-K170 WeakPolarHBondContact O-CG 3.45Å; C159-K170 PolarHBondContact O-NZ 2.71Å; N166-K170 WeakPolarHBondContact O-CB 3.46Å; N166-K170 PolarHBondContact O-N 2.83Å; A167-K170 WeakPolarHBondContact O-CB 3.22Å; A167-K170 PolarHBondContact O-N 3.44Å; K170-V173 PolarHBondContact O-N 3.23Å; K170-M174 HydrophobicContact CD-CE 4.43Å; K170-M174 VanDerWaalsContact CE-CE 3.43Å; K170-M174 HydrophobicContact CG-CE 4.12Å; K170-M174 HydrophobicContact CG-SD 4.28Å; K170-M174 WeakPolarHBondContact O-CB 3.32Å; K170-M174 WeakPolarHBondContact O-CG 3.49Å; K170-M174 PolarHBondContact O-N 3.42Å; K170-N203 WeakPolarHBondContact CE-OD1 3.23Å; K170-N203 PolarHBondContact NZ-OD1 2.94Å |
| 171 | E | 96.7 | Very high | 95.4 | Very high | 129 Ų | 129 | 48.5 Ų | 48.5 | 60% | 0.603 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.5 | -49.1 | 176.5 | -173.9 | 173.5 | -167.1 | 0 | 0 | 111.5 | A167 V173 M174 E175 | A167-E171 PolarHBondContact O-N 3.26Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 3.03Å; E171-M174 PolarHBondContact O-N 2.9Å; E171-E175 WeakPolarHBondContact O-CG 3.49Å; E171-E175 PolarHBondContact O-N 3.3Å |
| 172 | A | 95.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 51% | 0.512 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G168 R169 A176 | G168-A172 WeakPolarHBondContact O-CB 3.38Å; G168-A172 PolarHBondContact O-N 3.47Å; R169-A172 PolarHBondContact O-N 2.85Å; A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 2.86Å |
| 173 | V | 96.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 176.9 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | A155 Y158 R169 K170 E171 A176 M177 | A155-V173 HydrophobicContact CB-CG1 3.54Å; Y158-V173 HydrophobicContact CD2-CG2 3.9Å; R169-V173 WeakPolarHBondContact O-CB 3.35Å; R169-V173 VanDerWaalsContact O-CG2 3.29Å; R169-V173 WeakPolarHBondContact O-CG2 3.36Å; R169-V173 PolarHBondContact O-N 3.04Å; K170-V173 PolarHBondContact O-N 3.23Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 3.03Å; V173-A176 PolarHBondContact O-N 2.75Å; V173-M177 HydrophobicContact CG1-CE 4.17Å; V173-M177 HydrophobicContact CG1-CG 4.41Å; V173-M177 HydrophobicContact CG1-SD 4.45Å; V173-M177 WeakPolarHBondContact O-CB 3.2Å; V173-M177 VanDerWaalsContact O-CG 3.3Å; V173-M177 WeakPolarHBondContact O-CG 3.27Å; V173-M177 PolarHBondContact O-N 2.96Å |
| 174 | M | 97.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.044 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 175 | -76.3 | -177.3 | 169.1 | 0 | 0 | 112.3 | K170 E171 M177 A178 N203 K206 L207 L210 | K170-M174 HydrophobicContact CD-CE 4.43Å; K170-M174 VanDerWaalsContact CE-CE 3.43Å; K170-M174 HydrophobicContact CG-CE 4.12Å; K170-M174 HydrophobicContact CG-SD 4.28Å; K170-M174 WeakPolarHBondContact O-CB 3.32Å; K170-M174 WeakPolarHBondContact O-CG 3.49Å; K170-M174 PolarHBondContact O-N 3.42Å; E171-M174 PolarHBondContact O-N 2.9Å; M174-M177 HydrophobicContact CG-CE 4.14Å; M174-M177 PolarHBondContact O-N 3.4Å; M174-A178 WeakPolarHBondContact O-CB 3.18Å; M174-A178 PolarHBondContact O-N 3.02Å; M174-N203 HydrophobicContact CE-CB 3.64Å; M174-N203 WeakPolarHBondContact CE-OD1 3.12Å; M174-K206 HydrophobicContact SD-CB 4.04Å; M174-K206 HydrophobicContact SD-CD 4.38Å; M174-L207 WeakPolarHBondContact O-CD1 3.46Å; M174-L210 HydrophobicContact CB-CD1 3.81Å |
| 175 | E | 96.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 37.6 Ų | 37.6 | 27% | 0.271 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.7 | -47 | 174.2 | -75.6 | -72.6 | 178.1 | 0 | 0 | 111.7 | E171 A178 E179 L210 K214 | E171-E175 WeakPolarHBondContact O-CG 3.49Å; E171-E175 PolarHBondContact O-N 3.3Å; E175-A178 WeakPolarHBondContact O-CB 3.43Å; E175-A178 PolarHBondContact O-N 3.49Å; E175-E179 PolarHBondContact O-N 3.48Å; E175-L210 HydrophobicContact CG-CD1 4.34Å; E175-L210 WeakPolarHBondContact OE1-CD2 3.37Å; E175-K214 WeakPolarHBondContact O-CE 3.43Å; E175-K214 WeakPolarHBondContact OE2-CE 3.48Å; E175-K214 IonicContact OE2-NZ 3.37Å; E175-K214 PolarHBondContact OE2-NZ 3.11Å |
| 176 | A | 94.6 | Very high | 95.8 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 33% | 0.331 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A172 V173 A178 E179 Q180 | A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 2.86Å; V173-A176 PolarHBondContact O-N 2.75Å; A176-A178 VanDerWaalsContact C-N 3.27Å; A176-A178 PolarHBondContact O-N 3.12Å; A176-E179 PolarHBondContact O-N 3.24Å; A176-Q180 VanDerWaalsContact O-CG 3.29Å; A176-Q180 WeakPolarHBondContact O-CG 3.34Å; A176-Q180 PolarHBondContact O-N 3.48Å |
| 177 | M | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 175.9 | -74.6 | -170 | -59.2 | 0 | 0 | 111.7 | L150 V152 A155 V173 M174 Q180 I181 L207 F535 T565 | L150-M177 HydrophobicContact CD1-CB 3.95Å; L150-M177 HydrophobicContact CD1-CG 3.92Å; V152-M177 HydrophobicContact CG2-CG 3.99Å; V152-M177 HydrophobicContact CG2-SD 4.31Å; A155-M177 HydrophobicContact CB-SD 3.91Å; V173-M177 HydrophobicContact CG1-CE 4.17Å; V173-M177 HydrophobicContact CG1-CG 4.41Å; V173-M177 HydrophobicContact CG1-SD 4.45Å; V173-M177 WeakPolarHBondContact O-CB 3.2Å; V173-M177 VanDerWaalsContact O-CG 3.3Å; V173-M177 WeakPolarHBondContact O-CG 3.27Å; V173-M177 PolarHBondContact O-N 2.96Å; M174-M177 HydrophobicContact CG-CE 4.14Å; M174-M177 PolarHBondContact O-N 3.4Å; M177-Q180 PolarHBondContact O-N 2.85Å; M177-I181 WeakPolarHBondContact O-CB 3.35Å; M177-I181 WeakPolarHBondContact O-CD1 3.46Å; M177-I181 WeakPolarHBondContact O-CG1 3.48Å; M177-I181 PolarHBondContact O-N 3.44Å; M177-L207 HydrophobicContact CB-CD1 3.96Å; M177-L207 HydrophobicContact CE-CD1 4.41Å; M177-L207 HydrophobicContact CE-CD2 4.19Å; M177-F535 HydrophobicContact SD-CE1 4.34Å; M177-F535 HydrophobicContact SD-CZ 4.28Å; M177-T565 HydrophobicContact SD-CG2 3.46Å; M177-T565 WeakPolarHBondContact SD-CG2 3.26Å |
| 178 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M174 E175 A176 I181 V182 L207 L210 V211 K214 | M174-A178 WeakPolarHBondContact O-CB 3.18Å; M174-A178 PolarHBondContact O-N 3.02Å; E175-A178 WeakPolarHBondContact O-CB 3.43Å; E175-A178 PolarHBondContact O-N 3.49Å; A176-A178 VanDerWaalsContact C-N 3.27Å; A176-A178 PolarHBondContact O-N 3.12Å; A178-I181 PolarHBondContact O-N 2.67Å; A178-V182 WeakPolarHBondContact O-CG2 3.37Å; A178-V182 PolarHBondContact O-N 2.82Å; A178-L207 HydrophobicContact CB-CD1 3.99Å; A178-L210 HydrophobicContact CB-CB 3.63Å; A178-V211 HydrophobicContact CB-CG2 3.81Å; A178-K214 HydrophobicContact CB-CD 3.85Å |
| 179 | E | 95.2 | Very high | 95.6 | Very high | 78 Ų | 78 | 34.7 Ų | 34.7 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 174 | -71.8 | 167.3 | -173.8 | 0 | 0 | 111.2 | E175 A176 I181 V182 T183 K214 | E175-E179 PolarHBondContact O-N 3.48Å; A176-E179 PolarHBondContact O-N 3.24Å; E179-I181 VanDerWaalsContact C-N 3.34Å; E179-I181 PolarHBondContact O-N 3.02Å; E179-V182 WeakPolarHBondContact O-CB 3.05Å; E179-V182 PolarHBondContact O-N 3.05Å; E179-V182 VanDerWaalsContact O-N 3.09Å; E179-T183 WeakPolarHBondContact O-CG2 3.46Å; E179-T183 PolarHBondContact O-N 3.12Å; E179-K214 HydrophobicContact CB-CD 4.46Å; E179-K214 HydrophobicContact CG-CD 3.6Å; E179-K214 IonicContact OE1-NZ 2.98Å; E179-K214 PolarHBondContact OE1-NZ 3.37Å |
| 180 | Q | 97.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 179.8 | -60 | 175.5 | -73.4 | 0 | 0 | 112.2 | S139 L150 A176 M177 V182 T183 V184 | S139-Q180 WeakPolarHBondContact O-CG 3.21Å; S139-Q180 PolarHBondContact O-NE2 3.33Å; L150-Q180 HydrophobicContact CD1-CB 4.16Å; L150-Q180 HydrophobicContact CD2-CB 3.74Å; L150-Q180 HydrophobicContact CG-CB 4.35Å; L150-Q180 PolarHBondContact O-NE2 3.24Å; A176-Q180 VanDerWaalsContact O-CG 3.29Å; A176-Q180 WeakPolarHBondContact O-CG 3.34Å; A176-Q180 PolarHBondContact O-N 3.48Å; M177-Q180 PolarHBondContact O-N 2.85Å; Q180-V182 VanDerWaalsContact C-N 3.32Å; Q180-V182 PolarHBondContact O-N 3.31Å; Q180-T183 WeakPolarHBondContact O-CB 3.43Å; Q180-T183 PolarHBondContact O-N 2.94Å; Q180-T183 VanDerWaalsContact O-N 3.09Å; Q180-T183 PolarHBondContact O-OG1 3.37Å; Q180-V184 PolarHBondContact O-N 3.26Å; Q180-V184 VanDerWaalsContact O-N 3.07Å |
| 181 | I | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 175.2 | -68.5 | 163.9 | 0 | 0 | 0 | 111.2 | L150 M177 A178 E179 T183 V184 C185 L207 V211 L235 F535 | L150-I181 HydrophobicContact CD1-CD1 4.4Å; L150-I181 HydrophobicContact CD1-CG1 3.99Å; M177-I181 WeakPolarHBondContact O-CB 3.35Å; M177-I181 WeakPolarHBondContact O-CD1 3.46Å; M177-I181 WeakPolarHBondContact O-CG1 3.48Å; M177-I181 PolarHBondContact O-N 3.44Å; A178-I181 PolarHBondContact O-N 2.67Å; E179-I181 VanDerWaalsContact C-N 3.34Å; E179-I181 PolarHBondContact O-N 3.02Å; I181-T183 VanDerWaalsContact C-N 3.28Å; I181-T183 PolarHBondContact O-N 3.12Å; I181-V184 WeakPolarHBondContact O-CB 3.28Å; I181-V184 PolarHBondContact O-N 2.97Å; I181-V184 VanDerWaalsContact O-N 3.15Å; I181-C185 PolarHBondContact O-N 3.33Å; I181-C185 PolarHBondContact O-SG 3.01Å; I181-L207 HydrophobicContact CD1-CD1 4.34Å; I181-L207 HydrophobicContact CD1-CD2 3.96Å; I181-L207 HydrophobicContact CD1-CG 4.29Å; I181-V211 HydrophobicContact CB-CG2 4.06Å; I181-V211 HydrophobicContact CD1-CG2 3.96Å; I181-V211 HydrophobicContact CG2-CG1 3.9Å; I181-V211 HydrophobicContact CG2-CG2 3.98Å; I181-L235 HydrophobicContact CG2-CD2 3.66Å; I181-F535 HydrophobicContact CD1-CD1 3.62Å; I181-F535 HydrophobicContact CD1-CD2 4.16Å; I181-F535 HydrophobicContact CD1-CE1 3.8Å; I181-F535 HydrophobicContact CD1-CE2 4.32Å; I181-F535 HydrophobicContact CD1-CG 3.81Å; I181-F535 HydrophobicContact CD1-CZ 4.14Å; I181-F535 HydrophobicContact CG1-CD2 4.23Å; I181-F535 HydrophobicContact CG1-CE2 4.37Å; I181-F535 HydrophobicContact CG1-CG 4.31Å |
| 182 | V | 96 | Very high | 95.1 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 7% | 0.067 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 171.7 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | A178 E179 Q180 V184 C185 A186 K214 L215 Y218 | A178-V182 WeakPolarHBondContact O-CG2 3.37Å; A178-V182 PolarHBondContact O-N 2.82Å; E179-V182 WeakPolarHBondContact O-CB 3.05Å; E179-V182 PolarHBondContact O-N 3.05Å; E179-V182 VanDerWaalsContact O-N 3.09Å; Q180-V182 VanDerWaalsContact C-N 3.32Å; Q180-V182 PolarHBondContact O-N 3.31Å; V182-V184 VanDerWaalsContact C-N 3.29Å; V182-V184 PolarHBondContact O-N 3.19Å; V182-C185 PolarHBondContact O-N 3.38Å; V182-A186 WeakPolarHBondContact O-CB 3.16Å; V182-A186 PolarHBondContact O-N 3.25Å; V182-K214 HydrophobicContact CG2-CB 3.57Å; V182-L215 HydrophobicContact CB-CD2 4.41Å; V182-L215 HydrophobicContact CG1-CD2 4.19Å; V182-L215 HydrophobicContact CG2-CD2 3.99Å; V182-L215 HydrophobicContact CG2-CG 3.96Å; V182-Y218 HydrophobicContact CG1-CD1 4.47Å; V182-Y218 HydrophobicContact CG1-CD2 4.23Å; V182-Y218 HydrophobicContact CG1-CG 3.97Å |
| 183 | T | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -32.2 | 175.3 | 76.8 | 0 | 0 | 0 | 0 | 113.5 | N137 S139 E179 Q180 I181 T187 | N137-T183 HydrophobicContact CB-CG2 4.08Å; N137-T183 WeakPolarHBondContact O-CB 3.48Å; S139-T183 PolarHBondContact N-OG1 2.84Å; E179-T183 WeakPolarHBondContact O-CG2 3.46Å; E179-T183 PolarHBondContact O-N 3.12Å; Q180-T183 WeakPolarHBondContact O-CB 3.43Å; Q180-T183 PolarHBondContact O-N 2.94Å; Q180-T183 VanDerWaalsContact O-N 3.09Å; Q180-T183 PolarHBondContact O-OG1 3.37Å; I181-T183 VanDerWaalsContact C-N 3.28Å; I181-T183 PolarHBondContact O-N 3.12Å; T183-T187 VanDerWaalsContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CB 3.35Å; T183-T187 PolarHBondContact O-N 3.47Å; T183-T187 PolarHBondContact O-OG1 3.43Å |
| 184 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -52.4 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | F140 Y148 L150 Q180 I181 V182 A186 T187 L188 | F140-V184 HydrophobicContact CB-CG2 3.84Å; F140-V184 HydrophobicContact CD1-CB 4.19Å; F140-V184 HydrophobicContact CD1-CG2 3.38Å; F140-V184 HydrophobicContact CD2-CG2 4.1Å; F140-V184 HydrophobicContact CE1-CB 4.25Å; F140-V184 HydrophobicContact CE1-CG2 3.9Å; F140-V184 HydrophobicContact CG-CG2 3.49Å; F140-V184 VanDerWaalsContact CG-CG2 3.49Å; F140-V184 HydrophobicContact CZ-CG2 4.43Å; Y148-V184 HydrophobicContact CD1-CG1 4.41Å; Y148-V184 HydrophobicContact CD2-CG2 3.8Å; Y148-V184 HydrophobicContact CE1-CG1 4.15Å; Y148-V184 HydrophobicContact CE2-CG1 4.28Å; Y148-V184 HydrophobicContact CE2-CG2 3.73Å; Y148-V184 HydrophobicContact CG-CG2 4.46Å; L150-V184 HydrophobicContact CD2-CG2 4.44Å; Q180-V184 PolarHBondContact O-N 3.26Å; Q180-V184 VanDerWaalsContact O-N 3.07Å; I181-V184 WeakPolarHBondContact O-CB 3.28Å; I181-V184 PolarHBondContact O-N 2.97Å; I181-V184 VanDerWaalsContact O-N 3.15Å; V182-V184 VanDerWaalsContact C-N 3.29Å; V182-V184 PolarHBondContact O-N 3.19Å; V184-A186 PolarHBondContact O-N 2.87Å; V184-T187 PolarHBondContact O-N 2.94Å; V184-T187 VanDerWaalsContact O-N 3.15Å; V184-L188 HydrophobicContact CG1-CD1 4.03Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 3.04Å |
| 185 | C | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | I181 V182 T187 L188 D189 E190 L215 | I181-C185 PolarHBondContact O-N 3.33Å; I181-C185 PolarHBondContact O-SG 3.01Å; V182-C185 PolarHBondContact O-N 3.38Å; C185-T187 VanDerWaalsContact C-N 3.32Å; C185-T187 PolarHBondContact O-N 3.32Å; C185-L188 PolarHBondContact O-N 3.25Å; C185-D189 PolarHBondContact O-N 3.15Å; C185-D189 VanDerWaalsContact O-N 3.07Å; C185-E190 WeakPolarHBondContact CB-O 3.46Å; C185-E190 PolarHBondContact O-N 2.57Å; C185-L215 HydrophobicContact CB-CD2 3.78Å |
| 186 | A | 92.7 | Very high | 94.9 | Very high | 14 Ų | 14 | 16.8 Ų | 16.8 | 12% | 0.116 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.1 | -35.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V182 V184 D189 Y218 | V182-A186 WeakPolarHBondContact O-CB 3.16Å; V182-A186 PolarHBondContact O-N 3.25Å; V184-A186 PolarHBondContact O-N 2.87Å; A186-D189 PolarHBondContact O-N 3.3Å; A186-Y218 HydrophobicContact CB-CD1 4.46Å; A186-Y218 HydrophobicContact CB-CE1 3.6Å; A186-Y218 HydrophobicContact CB-CE2 4.4Å; A186-Y218 WeakPolarHBondContact CB-OH 3.3Å |
| 187 | T | 93.6 | Very high | 95 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 6% | 0.061 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -72.7 | -31.8 | 177.7 | -62 | 0 | 0 | 0 | 0 | 112.4 | V13 V14 K17 N137 F140 T183 V184 C185 | V13-T187 HydrophobicContact CG1-CG2 4.02Å; V13-T187 WeakPolarHBondContact CG1-O 3.41Å; V14-T187 HydrophobicContact CG2-CG2 3.99Å; K17-T187 HydrophobicContact CD-CG2 3.92Å; K17-T187 PolarHBondContact NZ-OG1 3.32Å; N137-T187 PolarHBondContact O-OG1 2.98Å; F140-T187 HydrophobicContact CE1-CG2 4.19Å; F140-T187 HydrophobicContact CZ-CG2 3.91Å; T183-T187 VanDerWaalsContact O-CB 3.25Å; T183-T187 WeakPolarHBondContact O-CB 3.35Å; T183-T187 PolarHBondContact O-N 3.47Å; T183-T187 PolarHBondContact O-OG1 3.43Å; V184-T187 PolarHBondContact O-N 2.94Å; V184-T187 VanDerWaalsContact O-N 3.15Å; C185-T187 VanDerWaalsContact C-N 3.32Å; C185-T187 PolarHBondContact O-N 3.32Å |
| 188 | L | 93 | Very high | 95 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 5% | 0.047 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -79.6 | -8.3 | 172.7 | -67.3 | 172.4 | 0 | 0 | 0 | 113.3 | L10 V184 C185 E190 R531 I533 I561 | L10-L188 HydrophobicContact CD1-CD2 3.8Å; L10-L188 HydrophobicContact CD1-CG 4.46Å; V184-L188 HydrophobicContact CG1-CD1 4.03Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 3.04Å; C185-L188 PolarHBondContact O-N 3.25Å; L188-E190 HydrophobicContact CB-CB 4.25Å; L188-E190 HydrophobicContact CB-CG 3.77Å; L188-R531 PolarHBondContact O-NH1 3.33Å; L188-I533 HydrophobicContact CD1-CD1 3.71Å; L188-I533 HydrophobicContact CD1-CG1 4.1Å; L188-I561 HydrophobicContact CD1-CD1 3.7Å; L188-I561 HydrophobicContact CD2-CD1 3.56Å; L188-I561 HydrophobicContact CG-CD1 4.29Å |
| 189 | D | 90.7 | Very high | 94.8 | Very high | 108 Ų | 108 | 26.1 Ų | 26.1 | 58% | 0.578 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 43.9 | -170.7 | -165.8 | 38.6 | 0 | 0 | 0 | 112.2 | C185 A186 K228 | C185-D189 PolarHBondContact O-N 3.15Å; C185-D189 VanDerWaalsContact O-N 3.07Å; A186-D189 PolarHBondContact O-N 3.3Å; D189-K228 PolarHBondContact O-NZ 3.19Å; D189-K228 IonicContact OD1-NZ 3.78Å; D189-K228 PolarHBondContact OD1-NZ 3.35Å; D189-K228 IonicContact OD2-NZ 2.68Å; D189-K228 PolarHBondContact OD2-NZ 2.85Å |
| 190 | E | 90.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | trans | -120.9 | 133.2 | -174.7 | -68.5 | -65.4 | 176.1 | 0 | 0 | 112.2 | C185 L188 P192 Y219 T231 S233 R531 I533 | C185-E190 WeakPolarHBondContact CB-O 3.46Å; C185-E190 PolarHBondContact O-N 2.57Å; L188-E190 HydrophobicContact CB-CB 4.25Å; L188-E190 HydrophobicContact CB-CG 3.77Å; E190-P192 VanDerWaalsContact C-CD 3.45Å; E190-P192 VanDerWaalsContact O-CD 3.25Å; E190-P192 WeakPolarHBondContact O-CD 3.46Å; E190-Y219 PolarHBondContact O-OH 3.15Å; E190-T231 WeakPolarHBondContact OE2-CB 3.29Å; E190-T231 PolarHBondContact OE2-OG1 3.34Å; E190-S233 WeakPolarHBondContact OE2-CB 3.22Å; E190-S233 PolarHBondContact OE2-OG 3.24Å; E190-R531 IonicContact OE1-CZ 3.51Å; E190-R531 IonicContact OE1-NE 3.05Å; E190-R531 IonicContact OE1-NH1 2.68Å; E190-R531 PolarHBondContact OE1-NH1 3.18Å; E190-I533 HydrophobicContact CB-CD1 4.38Å | ||
| 191 | N | 91.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | trans | -111.8 | 78 | 168.1 | -174.1 | 5.1 | 0 | 0 | 0 | 108.9 | Y219 K228 G229 K230 T231 | N191-Y219 HydrophobicContact CB-CD2 3.7Å; N191-Y219 HydrophobicContact CB-CE2 3.43Å; N191-Y219 VanDerWaalsContact CB-CE2 3.43Å; N191-Y219 HydrophobicContact CB-CG 4.38Å; N191-K228 PolarHBondContact ND2-O 2.92Å; N191-G229 PolarHBondContact ND2-O 2.82Å; N191-K230 CarbonylContact O-C 3.52Å; N191-K230 VanDerWaalsContact O-CA 3.28Å; N191-K230 WeakPolarHBondContact O-CA 3.4Å; N191-K230 WeakPolarHBondContact O-CD 3.47Å; N191-T231 HydrophobicContact CB-CG2 4.34Å; N191-T231 PolarHBondContact N-OG1 3.45Å; N191-T231 PolarHBondContact O-N 3.22Å; N191-T231 PolarHBondContact O-OG1 3.29Å | ||
| 192 | P | 93.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 156 | -166.6 | 28 | -35.4 | 0 | 0 | 0 | 113.2 | E190 V194 L215 K230 S233 L235 | E190-P192 VanDerWaalsContact C-CD 3.45Å; E190-P192 VanDerWaalsContact O-CD 3.25Å; E190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-V194 PolarHBondContact O-N 2.86Å; P192-L215 HydrophobicContact CG-CD1 4.21Å; P192-K230 WeakPolarHBondContact O-CD 3.41Å; P192-K230 PolarHBondContact O-NZ 3.05Å; P192-S233 WeakPolarHBondContact CA-O 3.05Å; P192-S233 WeakPolarHBondContact CA-OG 3.25Å; P192-S233 WeakPolarHBondContact CB-OG 3.47Å; P192-L235 HydrophobicContact CB-CB 3.95Å; P192-L235 HydrophobicContact CG-CB 3.81Å |
| 193 | G | 92.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 117.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110 | S233 Q234 L235 | G193-S233 PolarHBondContact N-O 2.86Å; G193-Q234 WeakPolarHBondContact O-CA 3.36Å; G193-L235 PolarHBondContact O-N 3.5Å |
| 194 | V | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.6 | -178.2 | -175 | 0 | 0 | 0 | 0 | 110.3 | P192 A208 V211 E212 L215 L235 I237 Y497 C498 | P192-V194 PolarHBondContact O-N 2.86Å; V194-A208 HydrophobicContact CG1-CB 3.8Å; V194-V211 HydrophobicContact CG2-CG1 4.28Å; V194-E212 WeakPolarHBondContact CG2-OE2 3.15Å; V194-L215 HydrophobicContact CG2-CD1 3.73Å; V194-L235 HydrophobicContact CG1-CD2 4.4Å; V194-L235 HydrophobicContact CG2-CB 4.43Å; V194-L235 HydrophobicContact CG2-CD2 4.23Å; V194-I237 HydrophobicContact CG1-CD1 4.46Å; V194-Y497 WeakPolarHBondContact O-CA 3.42Å; V194-C498 HydrophobicContact CB-CB 4.39Å; V194-C498 PolarHBondContact O-N 2.91Å |
| 195 | R | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 160 | 172 | -55.5 | 175.3 | 74.6 | 173.4 | 2.4 | 110.1 | Q234 L235 L236 I237 L490 W495 P496 Y497 | R195-Q234 VanDerWaalsContact CD-OE1 3.23Å; R195-L235 PolarHBondContact N-O 3.02Å; R195-L236 HydrophobicContact CB-CD2 3.64Å; R195-L236 HydrophobicContact CG-CD2 4.13Å; R195-L236 WeakPolarHBondContact O-CA 3.25Å; R195-I237 PolarHBondContact O-N 3.05Å; R195-L490 PolarHBondContact NH2-O 2.69Å; R195-L490 VanDerWaalsContact NH2-O 3.14Å; R195-W495 VanDerWaalsContact CZ-O 3.31Å; R195-W495 PolarHBondContact NE-O 2.78Å; R195-W495 PolarHBondContact NH2-O 3.46Å; R195-P496 VanDerWaalsContact CA-O 3.29Å; R195-P496 WeakPolarHBondContact CA-O 3.32Å; R195-P496 WeakPolarHBondContact CB-O 3.32Å; R195-Y497 VanDerWaalsContact CD-CZ 3.49Å; R195-Y497 HydrophobicContact CG-CD1 3.37Å; R195-Y497 HydrophobicContact CG-CD2 4.25Å; R195-Y497 HydrophobicContact CG-CE1 3.41Å; R195-Y497 VanDerWaalsContact CG-CE1 3.41Å; R195-Y497 HydrophobicContact CG-CE2 4.29Å; R195-Y497 HydrophobicContact CG-CG 3.82Å |
| 196 | Y | 97.9 | Very high | 95 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 14% | 0.137 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 155.2 | 177.9 | 58.3 | -89.6 | 0 | 0 | 0 | 111.5 | S198 S205 A208 I237 W495 P496 | Y196-S198 PolarHBondContact O-N 2.75Å; Y196-S205 VanDerWaalsContact CD2-CA 3.48Å; Y196-S205 WeakPolarHBondContact CE2-OG 3.35Å; Y196-A208 HydrophobicContact CD1-CB 3.56Å; Y196-A208 HydrophobicContact CE1-CB 4.48Å; Y196-A208 HydrophobicContact CG-CB 3.95Å; Y196-I237 CarbonylContact C-O 3.54Å; Y196-I237 VanDerWaalsContact CA-O 3.23Å; Y196-I237 WeakPolarHBondContact CA-O 3.47Å; Y196-W495 WeakPolarHBondContact O-CA 3.49Å; Y196-P496 HydrophobicContact CD2-CG 4.14Å; Y196-P496 HydrophobicContact CE1-CG 3.96Å; Y196-P496 HydrophobicContact CE2-CG 3.51Å; Y196-P496 VanDerWaalsContact CZ-CG 3.41Å; Y196-P496 PolarHBondContact N-O 2.72Å; Y196-P496 WeakPolarHBondContact O-CD 3.44Å |
| 197 | K | 97.5 | Very high | 95.3 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 19% | 0.187 | 18% | 0.183 | C | C | . | . | trans | -73.3 | 122.4 | 168 | -177.1 | 59.2 | 172 | 175.9 | 0 | 109.4 | K199 I237 I238 E494 W495 | K197-K199 WeakPolarHBondContact CE-O 3.37Å; K197-K199 WeakPolarHBondContact CG-O 3.36Å; K197-I237 PolarHBondContact N-O 3.07Å; K197-I238 HydrophobicContact CB-CG2 4.15Å; K197-E494 IonicContact NZ-OE2 3.67Å; K197-E494 PolarHBondContact NZ-OE2 2.88Å; K197-W495 HydrophobicContact CB-CE3 4.17Å; K197-W495 HydrophobicContact CB-CH2 3.88Å; K197-W495 HydrophobicContact CB-CZ2 4.31Å; K197-W495 HydrophobicContact CB-CZ3 3.82Å; K197-W495 HydrophobicContact CD-CD2 4.24Å; K197-W495 HydrophobicContact CD-CH2 4.2Å; K197-W495 HydrophobicContact CD-CZ2 3.74Å; K197-W495 HydrophobicContact CG-CH2 4.38Å; K197-W495 HydrophobicContact CG-CZ2 4.39Å | ||
| 198 | S | 96.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 35 Ų | 35 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | trans | -82.9 | -18.7 | -169.9 | 63.9 | 0 | 0 | 0 | 0 | 116 | Y196 K493 E494 | Y196-S198 PolarHBondContact O-N 2.75Å; S198-K493 PolarHBondContact OG-O 3.35Å; S198-E494 PolarHBondContact N-O 3.04Å; S198-E494 PolarHBondContact OG-O 3.36Å | ||
| 199 | K | 94.9 | Very high | 95.8 | Very high | 156 Ų | 156 | 39.8 Ų | 39.8 | 68% | 0.678 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -145 | 155 | -175.2 | -73.4 | -172.1 | 179.6 | -177.2 | 0 | 110.4 | K197 | K197-K199 WeakPolarHBondContact CE-O 3.37Å; K197-K199 WeakPolarHBondContact CG-O 3.36Å |
| 200 | P | 93.3 | Very high | 96.1 | Very high | 91 Ų | 91 | 36.4 Ų | 36.4 | 59% | 0.591 | 18% | 0.184 | S | C | * | . | S | Bend | cis | -84.2 | -21.2 | 4.8 | 31.8 | -35.2 | 0 | 0 | 0 | 114.9 | G446 | P200-G446 WeakPolarHBondContact CG-O 3.26Š|
| 201 | L | 96.9 | Very high | 96.5 | Very high | 45 Ų | 45 | 35.9 Ų | 35.9 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | trans | -100 | 168.7 | -179.2 | -60.6 | -178.3 | 0 | 0 | 0 | 112 | Y160 | Y160-L201 HydrophobicContact CD1-CD1 3.91Å; Y160-L201 HydrophobicContact CE1-CD1 3.72Å | ||
| 202 | D | 96.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 36 Ų | 36 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -109 | 3 | -176.5 | 72.8 | -0.8 | 0 | 0 | 0 | 114.4 | A204 S205 K206 | D202-A204 PolarHBondContact O-N 2.87Å; D202-S205 PolarHBondContact O-N 3.44Å; D202-K206 WeakPolarHBondContact O-CG 3.4Å; D202-K206 PolarHBondContact O-N 3.18Å; D202-K206 IonicContact OD1-NZ 3.2Å; D202-K206 PolarHBondContact OD1-NZ 3.09Å; D202-K206 WeakPolarHBondContact OD2-CE 3.21Å; D202-K206 IonicContact OD2-NZ 3.66Å; D202-K206 PolarHBondContact OD2-NZ 2.84Å |
| 203 | N | 98.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | -178.3 | -55.7 | -46.1 | 0 | 0 | 0 | 110.9 | C159 Y160 K170 M174 S205 K206 L207 D239 I537 | C159-N203 PolarHBondContact O-ND2 3.26Å; Y160-N203 WeakPolarHBondContact CE1-ND2 3.25Å; K170-N203 WeakPolarHBondContact CE-OD1 3.23Å; K170-N203 PolarHBondContact NZ-OD1 2.94Å; M174-N203 HydrophobicContact CE-CB 3.64Å; M174-N203 WeakPolarHBondContact CE-OD1 3.12Å; N203-S205 VanDerWaalsContact C-N 3.3Å; N203-S205 PolarHBondContact O-N 2.68Å; N203-K206 PolarHBondContact O-N 3.22Å; N203-L207 WeakPolarHBondContact O-CB 3.33Å; N203-L207 PolarHBondContact O-N 3.18Å; N203-D239 VanDerWaalsContact CB-OD1 3.26Å; N203-D239 WeakPolarHBondContact CB-OD1 3.47Å; N203-D239 PolarHBondContact ND2-OD1 3.19Å; N203-I537 HydrophobicContact CB-CD1 3.9Å |
| 204 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D202 A208 I237 D239 I537 | D202-A204 PolarHBondContact O-N 2.87Å; A204-A208 WeakPolarHBondContact O-CB 3.3Å; A204-A208 PolarHBondContact O-N 2.94Å; A204-I237 HydrophobicContact CB-CG2 4.12Å; A204-D239 WeakPolarHBondContact CB-OD2 3.35Å; A204-D239 PolarHBondContact N-OD2 3.41Å; A204-I537 HydrophobicContact CB-CD1 4.4Å |
| 205 | S | 98 | Very high | 96.6 | Very high | 20 Ų | 20 | 44 Ų | 44 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -49 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | Y196 D202 N203 A208 Q209 | Y196-S205 VanDerWaalsContact CD2-CA 3.48Å; Y196-S205 WeakPolarHBondContact CE2-OG 3.35Å; D202-S205 PolarHBondContact O-N 3.44Å; N203-S205 VanDerWaalsContact C-N 3.3Å; N203-S205 PolarHBondContact O-N 2.68Å; S205-A208 PolarHBondContact O-N 3.29Å; S205-Q209 WeakPolarHBondContact O-CG 3.34Å; S205-Q209 PolarHBondContact O-N 3.21Å; S205-Q209 PolarHBondContact OG-NE2 3.18Å |
| 206 | K | 98.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 48 Ų | 48 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 178.3 | -74.7 | 168.9 | 176.2 | 158.4 | 0 | 111.5 | M174 D202 N203 A208 Q209 L210 | M174-K206 HydrophobicContact SD-CB 4.04Å; M174-K206 HydrophobicContact SD-CD 4.38Å; D202-K206 WeakPolarHBondContact O-CG 3.4Å; D202-K206 PolarHBondContact O-N 3.18Å; D202-K206 IonicContact OD1-NZ 3.2Å; D202-K206 PolarHBondContact OD1-NZ 3.09Å; D202-K206 WeakPolarHBondContact OD2-CE 3.21Å; D202-K206 IonicContact OD2-NZ 3.66Å; D202-K206 PolarHBondContact OD2-NZ 2.84Å; N203-K206 PolarHBondContact O-N 3.22Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 2.85Å; K206-Q209 PolarHBondContact O-N 3.35Å; K206-L210 WeakPolarHBondContact O-CG 3.27Å; K206-L210 PolarHBondContact O-N 3.29Å; K206-L210 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 179.1 | -177.8 | 59.9 | 0 | 0 | 0 | 111.4 | M174 M177 A178 I181 N203 Q209 L210 V211 I237 F535 I537 | M174-L207 WeakPolarHBondContact O-CD1 3.46Å; M177-L207 HydrophobicContact CB-CD1 3.96Å; M177-L207 HydrophobicContact CE-CD1 4.41Å; M177-L207 HydrophobicContact CE-CD2 4.19Å; A178-L207 HydrophobicContact CB-CD1 3.99Å; I181-L207 HydrophobicContact CD1-CD1 4.34Å; I181-L207 HydrophobicContact CD1-CD2 3.96Å; I181-L207 HydrophobicContact CD1-CG 4.29Å; N203-L207 WeakPolarHBondContact O-CB 3.33Å; N203-L207 PolarHBondContact O-N 3.18Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 2.92Å; L207-L210 PolarHBondContact O-N 3.29Å; L207-V211 HydrophobicContact CD1-CG2 4.25Å; L207-V211 HydrophobicContact CG-CG2 4.36Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.41Å; L207-V211 PolarHBondContact O-N 2.92Å; L207-I237 HydrophobicContact CB-CG2 4.36Å; L207-I237 HydrophobicContact CD2-CD1 4.39Å; L207-I237 HydrophobicContact CD2-CG2 3.94Å; L207-I237 HydrophobicContact CG-CD1 4.09Å; L207-I237 HydrophobicContact CG-CG2 4.35Å; L207-F535 HydrophobicContact CD2-CD1 3.78Å; L207-F535 HydrophobicContact CD2-CE1 3.6Å; L207-I537 HydrophobicContact CB-CD1 4.14Å; L207-I537 HydrophobicContact CD2-CD1 3.73Å; L207-I537 HydrophobicContact CD2-CG1 3.72Å |
| 208 | A | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -35 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V194 Y196 A204 S205 K206 E212 I237 C498 | V194-A208 HydrophobicContact CG1-CB 3.8Å; Y196-A208 HydrophobicContact CD1-CB 3.56Å; Y196-A208 HydrophobicContact CE1-CB 4.48Å; Y196-A208 HydrophobicContact CG-CB 3.95Å; A204-A208 WeakPolarHBondContact O-CB 3.3Å; A204-A208 PolarHBondContact O-N 2.94Å; S205-A208 PolarHBondContact O-N 3.29Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 2.85Å; A208-E212 WeakPolarHBondContact O-CB 3.18Å; A208-E212 PolarHBondContact O-N 3.36Å; A208-I237 HydrophobicContact CB-CB 4.48Å; A208-I237 HydrophobicContact CB-CD1 3.96Å; A208-I237 HydrophobicContact CB-CG1 4.48Å; A208-C498 VanDerWaalsContact C-SG 3.54Å; A208-C498 VanDerWaalsContact CB-SG 3.53Å; A208-C498 PolarHBondContact O-SG 3.07Å; A208-C498 VanDerWaalsContact O-SG 3.4Å |
| 209 | Q | 97.8 | Very high | 94.9 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.7 | -41.9 | 173.5 | -70 | 171.6 | 23.5 | 0 | 0 | 111.8 | S205 K206 L207 E212 K213 | S205-Q209 WeakPolarHBondContact O-CG 3.34Å; S205-Q209 PolarHBondContact O-N 3.21Å; S205-Q209 PolarHBondContact OG-NE2 3.18Å; K206-Q209 PolarHBondContact O-N 3.35Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 2.92Å; Q209-E212 PolarHBondContact O-N 3.16Å; Q209-K213 WeakPolarHBondContact O-CB 3.26Å; Q209-K213 PolarHBondContact O-N 3.3Å |
| 210 | L | 98 | Very high | 94.1 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 175.3 | -67.8 | 176.6 | 0 | 0 | 0 | 111.5 | M174 E175 A178 K206 L207 K213 K214 | M174-L210 HydrophobicContact CB-CD1 3.81Å; E175-L210 HydrophobicContact CG-CD1 4.34Å; E175-L210 WeakPolarHBondContact OE1-CD2 3.37Å; A178-L210 HydrophobicContact CB-CB 3.63Å; K206-L210 WeakPolarHBondContact O-CG 3.27Å; K206-L210 PolarHBondContact O-N 3.29Å; K206-L210 VanDerWaalsContact O-N 3.13Å; L207-L210 PolarHBondContact O-N 3.29Å; L210-K213 PolarHBondContact O-N 3.31Å; L210-K214 WeakPolarHBondContact O-CG 3.3Å; L210-K214 PolarHBondContact O-N 3.32Å |
| 211 | V | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 177 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | A178 I181 V194 L207 K213 K214 L215 L235 I237 | A178-V211 HydrophobicContact CB-CG2 3.81Å; I181-V211 HydrophobicContact CB-CG2 4.06Å; I181-V211 HydrophobicContact CD1-CG2 3.96Å; I181-V211 HydrophobicContact CG2-CG1 3.9Å; I181-V211 HydrophobicContact CG2-CG2 3.98Å; V194-V211 HydrophobicContact CG2-CG1 4.28Å; L207-V211 HydrophobicContact CD1-CG2 4.25Å; L207-V211 HydrophobicContact CG-CG2 4.36Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.41Å; L207-V211 PolarHBondContact O-N 2.92Å; V211-K213 VanDerWaalsContact C-N 3.34Å; V211-K213 PolarHBondContact O-N 2.91Å; V211-K214 PolarHBondContact O-N 2.85Å; V211-L215 HydrophobicContact CG1-CD1 3.75Å; V211-L215 HydrophobicContact CG1-CG 4.13Å; V211-L215 WeakPolarHBondContact O-CB 3.28Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.31Å; V211-L215 PolarHBondContact O-N 3.42Å; V211-L235 HydrophobicContact CG1-CD2 3.71Å; V211-I237 HydrophobicContact CB-CD1 4.47Å; V211-I237 HydrophobicContact CG2-CD1 4.11Å |
| 212 | E | 94.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 178.6 | -174.9 | 70.8 | 173 | 0 | 0 | 111.1 | V194 A208 Q209 K214 L215 E216 K230 C498 S499 | V194-E212 WeakPolarHBondContact CG2-OE2 3.15Å; A208-E212 WeakPolarHBondContact O-CB 3.18Å; A208-E212 PolarHBondContact O-N 3.36Å; Q209-E212 PolarHBondContact O-N 3.16Å; E212-K214 PolarHBondContact O-N 3.45Å; E212-L215 PolarHBondContact O-N 3.23Å; E212-E216 WeakPolarHBondContact O-CG 3.42Å; E212-E216 PolarHBondContact O-N 3.45Å; E212-K230 VanDerWaalsContact OE1-CE 3.27Å; E212-K230 WeakPolarHBondContact OE1-CE 3.37Å; E212-K230 IonicContact OE1-NZ 2.73Å; E212-K230 PolarHBondContact OE1-NZ 3.26Å; E212-K230 IonicContact OE2-NZ 3.69Å; E212-K230 PolarHBondContact OE2-NZ 3.49Å; E212-C498 HydrophobicContact CB-CB 3.89Å; E212-C498 HydrophobicContact CG-CB 3.87Å; E212-S499 WeakPolarHBondContact OE1-CB 3.43Å; E212-S499 PolarHBondContact OE1-OG 3.32Å |
| 213 | K | 94.4 | Very high | 88.9 | Confident | 133 Ų | 133 | 56.4 Ų | 56.4 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -59.3 | -47.8 | 177 | -177.1 | -175.2 | 174.6 | -170 | 0 | 111.8 | Q209 L210 V211 E216 D217 | Q209-K213 WeakPolarHBondContact O-CB 3.26Å; Q209-K213 PolarHBondContact O-N 3.3Å; L210-K213 PolarHBondContact O-N 3.31Å; V211-K213 VanDerWaalsContact C-N 3.34Å; V211-K213 PolarHBondContact O-N 2.91Å; K213-E216 WeakPolarHBondContact O-CB 3.29Å; K213-E216 PolarHBondContact O-N 3.19Å; K213-D217 PolarHBondContact O-N 3.11Å |
| 214 | K | 93.8 | Very high | 86.9 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.8 | -34 | -179.5 | -68.7 | -177 | -166.9 | -80.8 | 0 | 112.5 | E175 A178 E179 V182 L210 V211 E212 D217 Y218 | E175-K214 WeakPolarHBondContact O-CE 3.43Å; E175-K214 WeakPolarHBondContact OE2-CE 3.48Å; E175-K214 IonicContact OE2-NZ 3.37Å; E175-K214 PolarHBondContact OE2-NZ 3.11Å; A178-K214 HydrophobicContact CB-CD 3.85Å; E179-K214 HydrophobicContact CB-CD 4.46Å; E179-K214 HydrophobicContact CG-CD 3.6Å; E179-K214 IonicContact OE1-NZ 2.98Å; E179-K214 PolarHBondContact OE1-NZ 3.37Å; V182-K214 HydrophobicContact CG2-CB 3.57Å; L210-K214 WeakPolarHBondContact O-CG 3.3Å; L210-K214 PolarHBondContact O-N 3.32Å; V211-K214 PolarHBondContact O-N 2.85Å; E212-K214 PolarHBondContact O-N 3.45Å; K214-D217 PolarHBondContact O-N 2.99Å; K214-Y218 VanDerWaalsContact O-CB 3.27Å; K214-Y218 WeakPolarHBondContact O-CB 3.34Å; K214-Y218 PolarHBondContact O-N 3.34Å |
| 215 | L | 92.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 172.2 | -75.7 | 172 | 0 | 0 | 0 | 111.3 | V182 C185 P192 V194 V211 E212 Y218 Y219 | V182-L215 HydrophobicContact CB-CD2 4.41Å; V182-L215 HydrophobicContact CG1-CD2 4.19Å; V182-L215 HydrophobicContact CG2-CD2 3.99Å; V182-L215 HydrophobicContact CG2-CG 3.96Å; C185-L215 HydrophobicContact CB-CD2 3.78Å; P192-L215 HydrophobicContact CG-CD1 4.21Å; V194-L215 HydrophobicContact CG2-CD1 3.73Å; V211-L215 HydrophobicContact CG1-CD1 3.75Å; V211-L215 HydrophobicContact CG1-CG 4.13Å; V211-L215 WeakPolarHBondContact O-CB 3.28Å; V211-L215 VanDerWaalsContact O-CG 3.3Å; V211-L215 WeakPolarHBondContact O-CG 3.31Å; V211-L215 PolarHBondContact O-N 3.42Å; E212-L215 PolarHBondContact O-N 3.23Å; L215-Y218 PolarHBondContact O-N 3.13Å; L215-Y219 HydrophobicContact CD2-CD2 4.45Å; L215-Y219 HydrophobicContact CD2-CE2 3.98Å; L215-Y219 VanDerWaalsContact O-CD2 3.32Å; L215-Y219 WeakPolarHBondContact O-CD2 3.44Å; L215-Y219 PolarHBondContact O-N 3.26Å |
| 216 | E | 90.5 | Very high | 82.6 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.3 | -75.9 | -173.8 | -164.2 | 0 | 0 | 111.6 | E212 K213 K220 | E212-E216 WeakPolarHBondContact O-CG 3.42Å; E212-E216 PolarHBondContact O-N 3.45Å; K213-E216 WeakPolarHBondContact O-CB 3.29Å; K213-E216 PolarHBondContact O-N 3.19Å; E216-K220 VanDerWaalsContact O-CB 3.26Å; E216-K220 WeakPolarHBondContact O-CB 3.36Å; E216-K220 VanDerWaalsContact O-CD 3.32Å; E216-K220 WeakPolarHBondContact O-CD 3.44Å; E216-K220 WeakPolarHBondContact O-CG 3.17Å; E216-K220 PolarHBondContact O-N 3.15Å; E216-K220 IonicContact OE2-NZ 3.76Å; E216-K220 PolarHBondContact OE2-NZ 3.17Å |
| 217 | D | 89.8 | Confident | 81 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | -179.9 | -66.5 | -20.6 | 0 | 0 | 0 | 111.1 | K213 K214 Y219 K220 I221 | K213-D217 PolarHBondContact O-N 3.11Å; K214-D217 PolarHBondContact O-N 2.99Å; D217-Y219 PolarHBondContact O-N 3.48Å; D217-K220 PolarHBondContact O-N 2.95Å; D217-I221 VanDerWaalsContact O-CD1 3.29Å; D217-I221 WeakPolarHBondContact O-CD1 3.19Å; D217-I221 VanDerWaalsContact O-CG1 3.24Å; D217-I221 WeakPolarHBondContact O-CG1 3.46Å; D217-I221 PolarHBondContact O-N 3.05Å |
| 218 | Y | 88.6 | Confident | 79.7 | Confident | 79 Ų | 79 | 74 Ų | 74 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 177.3 | -174.9 | -98.8 | 0 | 0 | 0 | 112.6 | N137 V182 A186 K214 L215 I221 | N137-Y218 HydrophobicContact CB-CE2 4.47Å; V182-Y218 HydrophobicContact CG1-CD1 4.47Å; V182-Y218 HydrophobicContact CG1-CD2 4.23Å; V182-Y218 HydrophobicContact CG1-CG 3.97Å; A186-Y218 HydrophobicContact CB-CD1 4.46Å; A186-Y218 HydrophobicContact CB-CE1 3.6Å; A186-Y218 HydrophobicContact CB-CE2 4.4Å; A186-Y218 WeakPolarHBondContact CB-OH 3.3Å; K214-Y218 VanDerWaalsContact O-CB 3.27Å; K214-Y218 WeakPolarHBondContact O-CB 3.34Å; K214-Y218 PolarHBondContact O-N 3.34Å; L215-Y218 PolarHBondContact O-N 3.13Å; Y218-I221 PolarHBondContact O-N 2.88Å |
| 219 | Y | 84.4 | Confident | 78.9 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 5% | 0.051 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -85.6 | -10.6 | -176.8 | -71.8 | -61.4 | 0 | 0 | 0 | 114.8 | E190 N191 L215 D217 K228 | E190-Y219 PolarHBondContact O-OH 3.15Å; N191-Y219 HydrophobicContact CB-CD2 3.7Å; N191-Y219 HydrophobicContact CB-CE2 3.43Å; N191-Y219 VanDerWaalsContact CB-CE2 3.43Å; N191-Y219 HydrophobicContact CB-CG 4.38Å; L215-Y219 HydrophobicContact CD2-CD2 4.45Å; L215-Y219 HydrophobicContact CD2-CE2 3.98Å; L215-Y219 VanDerWaalsContact O-CD2 3.32Å; L215-Y219 WeakPolarHBondContact O-CD2 3.44Å; L215-Y219 PolarHBondContact O-N 3.26Å; D217-Y219 PolarHBondContact O-N 3.48Å; Y219-K228 HydrophobicContact CD1-CB 3.75Å; Y219-K228 HydrophobicContact CD1-CD 3.85Å; Y219-K228 HydrophobicContact CD1-CG 4.29Å; Y219-K228 HydrophobicContact CE1-CB 4.37Å; Y219-K228 HydrophobicContact CE1-CD 3.56Å; Y219-K228 HydrophobicContact CE1-CG 4.45Å; Y219-K228 HydrophobicContact CG-CB 4.3Å |
| 220 | K | 78.1 | Confident | 78.4 | Confident | 120 Ų | 120 | 73.2 Ų | 73.2 | 52% | 0.522 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -73.7 | -28.3 | 166.5 | -79.3 | 166.2 | -166.7 | 160.5 | 0 | 112.2 | E216 D217 | E216-K220 VanDerWaalsContact O-CB 3.26Å; E216-K220 WeakPolarHBondContact O-CB 3.36Å; E216-K220 VanDerWaalsContact O-CD 3.32Å; E216-K220 WeakPolarHBondContact O-CD 3.44Å; E216-K220 WeakPolarHBondContact O-CG 3.17Å; E216-K220 PolarHBondContact O-N 3.15Å; E216-K220 IonicContact OE2-NZ 3.76Å; E216-K220 PolarHBondContact OE2-NZ 3.17Å; D217-K220 PolarHBondContact O-N 2.95Å |
| 221 | I | 64.7 | Low | 77.9 | Confident | 135 Ų | 135 | 72.2 Ų | 72.2 | 69% | 0.692 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -88.7 | -2 | -172.7 | -64.3 | 167.5 | 0 | 0 | 0 | 112.8 | D217 Y218 E223 | D217-I221 VanDerWaalsContact O-CD1 3.29Å; D217-I221 WeakPolarHBondContact O-CD1 3.19Å; D217-I221 VanDerWaalsContact O-CG1 3.24Å; D217-I221 WeakPolarHBondContact O-CG1 3.46Å; D217-I221 PolarHBondContact O-N 3.05Å; Y218-I221 PolarHBondContact O-N 2.88Å; I221-E223 PolarHBondContact O-N 2.91Å |
| 222 | D | 58.1 | Low | 77.3 | Confident | 65 Ų | 65 | 75 Ų | 75 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | trans | -51.7 | 136.1 | -171.3 | -172.4 | 37.9 | 0 | 0 | 0 | 114.1 | N224 G225 | D222-N224 PolarHBondContact O-N 3.43Å; D222-G225 PolarHBondContact O-N 3.26Å | ||
| 223 | E | 54.1 | Low | 77.1 | Confident | 180 Ų | 180 | 74.6 Ų | 74.6 | 84% | 0.841 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.1 | -166 | -65.5 | -178.4 | 161.4 | 0 | 0 | 113.7 | I221 | I221-E223 PolarHBondContact O-N 2.91Š|
| 224 | N | 55.6 | Low | 77.1 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 66% | 0.658 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.9 | -178.6 | -64.2 | -47.3 | 0 | 0 | 0 | 114.2 | D222 L226 | D222-N224 PolarHBondContact O-N 3.43Å; N224-L226 HydrophobicContact CB-CD1 4.3Å; N224-L226 HydrophobicContact CB-CG 4.42Å; N224-L226 PolarHBondContact O-N 3.33Å; N224-L226 VanDerWaalsContact O-N 3.1Å |
| 225 | G | 52.4 | Low | 77.3 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 65.4 | 7.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D222 | D222-G225 PolarHBondContact O-N 3.26Š|
| 226 | L | 54.7 | Low | 77.6 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | trans | -88.4 | 105.6 | 172.5 | -69.2 | 168.7 | 0 | 0 | 0 | 107.4 | N224 K228 | N224-L226 HydrophobicContact CB-CD1 4.3Å; N224-L226 HydrophobicContact CB-CG 4.42Å; N224-L226 PolarHBondContact O-N 3.33Å; N224-L226 VanDerWaalsContact O-N 3.1Å; L226-K228 PolarHBondContact O-N 3.42Å | ||
| 227 | I | 64.4 | Low | 78 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 70% | 0.697 | 34% | 0.335 | S | S | * | . | trans | -58.8 | 108.4 | 172.1 | -60.1 | 170.1 | 0 | 0 | 0 | 107.6 | G229 | I227-G229 PolarHBondContact O-N 2.76Š| ||
| 228 | K | 72.1 | Confident | 78.4 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | trans | -69.3 | 105 | 175.1 | -169.7 | 178.5 | -177.6 | -176.6 | 0 | 108.4 | D189 N191 Y219 L226 | D189-K228 PolarHBondContact O-NZ 3.19Å; D189-K228 IonicContact OD1-NZ 3.78Å; D189-K228 PolarHBondContact OD1-NZ 3.35Å; D189-K228 IonicContact OD2-NZ 2.68Å; D189-K228 PolarHBondContact OD2-NZ 2.85Å; N191-K228 PolarHBondContact ND2-O 2.92Å; Y219-K228 HydrophobicContact CD1-CB 3.75Å; Y219-K228 HydrophobicContact CD1-CD 3.85Å; Y219-K228 HydrophobicContact CD1-CG 4.29Å; Y219-K228 HydrophobicContact CE1-CB 4.37Å; Y219-K228 HydrophobicContact CE1-CD 3.56Å; Y219-K228 HydrophobicContact CE1-CG 4.45Å; Y219-K228 HydrophobicContact CG-CB 4.3Å; L226-K228 PolarHBondContact O-N 3.42Å | ||
| 229 | G | 80.8 | Confident | 78.9 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 170.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N191 I227 T231 | N191-G229 PolarHBondContact ND2-O 2.82Å; I227-G229 PolarHBondContact O-N 2.76Å; G229-T231 PolarHBondContact O-N 3.09Å |
| 230 | K | 86.6 | Confident | 79.5 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 130.1 | 173.4 | -67.1 | -66.2 | -170.4 | 177.8 | 0 | 109.8 | N191 P192 E212 A503 | N191-K230 CarbonylContact O-C 3.52Å; N191-K230 VanDerWaalsContact O-CA 3.28Å; N191-K230 WeakPolarHBondContact O-CA 3.4Å; N191-K230 WeakPolarHBondContact O-CD 3.47Å; P192-K230 WeakPolarHBondContact O-CD 3.41Å; P192-K230 PolarHBondContact O-NZ 3.05Å; E212-K230 VanDerWaalsContact OE1-CE 3.27Å; E212-K230 WeakPolarHBondContact OE1-CE 3.37Å; E212-K230 IonicContact OE1-NZ 2.73Å; E212-K230 PolarHBondContact OE1-NZ 3.26Å; E212-K230 IonicContact OE2-NZ 3.69Å; E212-K230 PolarHBondContact OE2-NZ 3.49Å; K230-A503 HydrophobicContact CB-CB 4.2Å; K230-A503 WeakPolarHBondContact O-CB 3.47Å |
| 231 | T | 87.2 | Confident | 80.4 | Confident | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 173.4 | 174.4 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | E190 N191 G229 S233 A503 | E190-T231 WeakPolarHBondContact OE2-CB 3.29Å; E190-T231 PolarHBondContact OE2-OG1 3.34Å; N191-T231 HydrophobicContact CB-CG2 4.34Å; N191-T231 PolarHBondContact N-OG1 3.45Å; N191-T231 PolarHBondContact O-N 3.22Å; N191-T231 PolarHBondContact O-OG1 3.29Å; G229-T231 PolarHBondContact O-N 3.09Å; T231-S233 PolarHBondContact O-N 3.41Å; T231-S233 VanDerWaalsContact O-N 3.08Å; T231-S233 PolarHBondContact OG1-OG 2.57Å; T231-A503 WeakPolarHBondContact O-CB 3.2Å |
| 232 | Q | 85.2 | Confident | 81.9 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -76 | 21.5 | 174.4 | -64.1 | -167.7 | 0.9 | 0 | 0 | 113.4 | W505 L522 | Q232-W505 WeakPolarHBondContact O-CZ3 3.22Å; Q232-L522 VanDerWaalsContact NE2-CD2 3.25Å |
| 233 | S | 91.8 | Very high | 83.8 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -95.5 | 157.8 | 173.9 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | E190 P192 G193 T231 R531 | E190-S233 WeakPolarHBondContact OE2-CB 3.22Å; E190-S233 PolarHBondContact OE2-OG 3.24Å; P192-S233 WeakPolarHBondContact CA-O 3.05Å; P192-S233 WeakPolarHBondContact CA-OG 3.25Å; P192-S233 WeakPolarHBondContact CB-OG 3.47Å; G193-S233 PolarHBondContact N-O 2.86Å; T231-S233 PolarHBondContact O-N 3.41Å; T231-S233 VanDerWaalsContact O-N 3.08Å; T231-S233 PolarHBondContact OG1-OG 2.57Å; S233-R531 CarbonylContact C-O 3.59Å; S233-R531 WeakPolarHBondContact CA-O 3.36Å; S233-R531 WeakPolarHBondContact CB-O 3.35Å | ||
| 234 | Q | 94.4 | Very high | 85.8 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.9 | 171.9 | -80.8 | -170.3 | 37.5 | 0 | 0 | 110.8 | G193 R195 Y497 W505 R531 L532 I533 | G193-Q234 WeakPolarHBondContact O-CA 3.36Å; R195-Q234 VanDerWaalsContact CD-OE1 3.23Å; Q234-Y497 PolarHBondContact NE2-OH 3.45Å; Q234-W505 HydrophobicContact CB-CE3 4.19Å; Q234-W505 HydrophobicContact CB-CH2 4.2Å; Q234-W505 HydrophobicContact CB-CZ3 3.94Å; Q234-W505 HydrophobicContact CG-CD2 3.84Å; Q234-W505 HydrophobicContact CG-CE3 3.57Å; Q234-W505 HydrophobicContact CG-CG 4.37Å; Q234-W505 HydrophobicContact CG-CH2 4.37Å; Q234-W505 HydrophobicContact CG-CZ3 3.86Å; Q234-W505 VanDerWaalsContact NE2-CB 3.27Å; Q234-R531 PolarHBondContact N-O 3.48Å; Q234-L532 HydrophobicContact CB-CD1 3.92Å; Q234-I533 PolarHBondContact O-N 3.41Å |
| 235 | L | 97.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.5 | 167.7 | 171.3 | 62.4 | 0 | 0 | 0 | 108.5 | I181 P192 G193 V194 R195 V211 I237 I533 F535 | I181-L235 HydrophobicContact CG2-CD2 3.66Å; P192-L235 HydrophobicContact CB-CB 3.95Å; P192-L235 HydrophobicContact CG-CB 3.81Å; G193-L235 PolarHBondContact O-N 3.5Å; V194-L235 HydrophobicContact CG1-CD2 4.4Å; V194-L235 HydrophobicContact CG2-CB 4.43Å; V194-L235 HydrophobicContact CG2-CD2 4.23Å; R195-L235 PolarHBondContact N-O 3.02Å; V211-L235 HydrophobicContact CG1-CD2 3.71Å; L235-I237 HydrophobicContact CD1-CG1 4.4Å; L235-I237 HydrophobicContact CD2-CD1 4.21Å; L235-I237 HydrophobicContact CD2-CG1 4.33Å; L235-I237 HydrophobicContact CG-CG1 4.08Å; L235-I533 CarbonylContact C-O 3.59Å; L235-I533 VanDerWaalsContact CA-O 3.26Å; L235-I533 WeakPolarHBondContact CA-O 3.47Å; L235-I533 HydrophobicContact CD1-CB 3.96Å; L235-I533 HydrophobicContact CD1-CG2 3.67Å; L235-F535 HydrophobicContact CD1-CB 4.27Å |
| 236 | L | 98.2 | Very high | 90 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.6 | 172.7 | -52.2 | -172.1 | 0 | 0 | 0 | 110.4 | R195 I481 A485 L490 W495 L532 I533 I534 F535 | R195-L236 HydrophobicContact CB-CD2 3.64Å; R195-L236 HydrophobicContact CG-CD2 4.13Å; R195-L236 WeakPolarHBondContact O-CA 3.25Å; L236-I481 HydrophobicContact CD1-CG2 4.07Å; L236-A485 HydrophobicContact CD1-CB 3.77Å; L236-L490 HydrophobicContact CD1-CD1 3.8Å; L236-L490 HydrophobicContact CD2-CD1 4.37Å; L236-W495 HydrophobicContact CB-CZ3 4.48Å; L236-L532 HydrophobicContact CD1-CD1 4.08Å; L236-L532 HydrophobicContact CG-CD1 3.94Å; L236-I533 PolarHBondContact N-O 3.2Å; L236-I534 HydrophobicContact CB-CD1 3.72Å; L236-I534 HydrophobicContact CD1-CD1 3.62Å; L236-I534 HydrophobicContact CG-CD1 3.77Å; L236-F535 PolarHBondContact O-N 3.25Å |
| 237 | I | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.5 | 176.1 | -54.3 | -168 | 0 | 0 | 0 | 110.5 | V194 R195 Y196 K197 A204 L207 A208 V211 L235 F535 I537 | V194-I237 HydrophobicContact CG1-CD1 4.46Å; R195-I237 PolarHBondContact O-N 3.05Å; Y196-I237 CarbonylContact C-O 3.54Å; Y196-I237 VanDerWaalsContact CA-O 3.23Å; Y196-I237 WeakPolarHBondContact CA-O 3.47Å; K197-I237 PolarHBondContact N-O 3.07Å; A204-I237 HydrophobicContact CB-CG2 4.12Å; L207-I237 HydrophobicContact CB-CG2 4.36Å; L207-I237 HydrophobicContact CD2-CD1 4.39Å; L207-I237 HydrophobicContact CD2-CG2 3.94Å; L207-I237 HydrophobicContact CG-CD1 4.09Å; L207-I237 HydrophobicContact CG-CG2 4.35Å; A208-I237 HydrophobicContact CB-CB 4.48Å; A208-I237 HydrophobicContact CB-CD1 3.96Å; A208-I237 HydrophobicContact CB-CG1 4.48Å; V211-I237 HydrophobicContact CB-CD1 4.47Å; V211-I237 HydrophobicContact CG2-CD1 4.11Å; L235-I237 HydrophobicContact CD1-CG1 4.4Å; L235-I237 HydrophobicContact CD2-CD1 4.21Å; L235-I237 HydrophobicContact CD2-CG1 4.33Å; L235-I237 HydrophobicContact CG-CG1 4.08Å; I237-F535 WeakPolarHBondContact CA-O 3.33Å; I237-F535 HydrophobicContact CG1-CB 4.44Å; I237-F535 HydrophobicContact CG2-CD1 4.35Å; I237-I537 HydrophobicContact CG2-CD1 4Å; I237-I537 HydrophobicContact CG2-CG1 4.17Å |
| 238 | I | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.8 | -171.3 | -42.9 | 173.4 | 0 | 0 | 0 | 110.3 | K197 F242 I481 W495 I534 F535 V536 I537 | K197-I238 HydrophobicContact CB-CG2 4.15Å; I238-F242 HydrophobicContact CG2-CB 3.72Å; I238-F242 HydrophobicContact CG2-CD1 3.61Å; I238-F242 HydrophobicContact CG2-CD2 4.32Å; I238-F242 HydrophobicContact CG2-CE1 4.29Å; I238-F242 HydrophobicContact CG2-CG 3.6Å; I238-I481 HydrophobicContact CD1-CD1 4.42Å; I238-I481 HydrophobicContact CD1-CG2 4.35Å; I238-W495 HydrophobicContact CD1-CH2 3.65Å; I238-W495 HydrophobicContact CD1-CZ3 3.98Å; I238-W495 HydrophobicContact CG1-CH2 3.74Å; I238-W495 HydrophobicContact CG1-CZ3 3.71Å; I238-W495 HydrophobicContact CG2-CH2 4.34Å; I238-I534 HydrophobicContact CD1-CG2 4.26Å; I238-F535 PolarHBondContact N-O 2.79Å; I238-V536 CarbonylContact O-C 3.56Å; I238-V536 WeakPolarHBondContact O-CA 3.32Å; I238-I537 PolarHBondContact O-N 3.09Å |
| 239 | D | 98.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 6% | 0.059 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 142.5 | 168.3 | -89.1 | -77 | 0 | 0 | 0 | 112 | Y160 N203 A204 G241 F242 | Y160-D239 WeakPolarHBondContact CE1-OD1 3.44Å; Y160-D239 WeakPolarHBondContact OH-CA 3.42Å; Y160-D239 PolarHBondContact OH-OD1 3.48Å; N203-D239 VanDerWaalsContact CB-OD1 3.26Å; N203-D239 WeakPolarHBondContact CB-OD1 3.47Å; N203-D239 PolarHBondContact ND2-OD1 3.19Å; A204-D239 WeakPolarHBondContact CB-OD2 3.35Å; A204-D239 PolarHBondContact N-OD2 3.41Å; D239-G241 PolarHBondContact O-N 3Å; D239-G241 VanDerWaalsContact O-N 3.08Å; D239-F242 VanDerWaalsContact O-CD1 3.22Å; D239-F242 WeakPolarHBondContact O-CD1 3.22Å; D239-F242 PolarHBondContact O-N 2.78Å |
| 240 | R | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -50.5 | -37.1 | -177.9 | -169.9 | 53.6 | -90.4 | 173.8 | -6.3 | 114.7 | F156 Y160 F242 D243 L445 I537 G539 E544 | F156-R240 HydrophobicContact CE2-CG 4.3Å; Y160-R240 HydrophobicContact CE2-CB 4.18Å; Y160-R240 PolarHBondContact OH-N 2.91Å; R240-F242 PolarHBondContact O-N 3.18Å; R240-D243 PolarHBondContact NH2-O 3.06Å; R240-L445 HydrophobicContact CB-CD2 4.22Å; R240-L445 HydrophobicContact CG-CD2 4.16Å; R240-I537 VanDerWaalsContact CB-O 3.28Å; R240-I537 WeakPolarHBondContact CB-O 3.14Å; R240-I537 PolarHBondContact N-O 2.6Å; R240-I537 VanDerWaalsContact N-O 3.12Å; R240-G539 WeakPolarHBondContact CD-O 3.49Å; R240-G539 PolarHBondContact NH1-O 3.32Å; R240-E544 IonicContact CZ-OE1 2.74Å; R240-E544 VanDerWaalsContact CZ-OE1 3.3Å; R240-E544 IonicContact CZ-OE2 2.7Å; R240-E544 VanDerWaalsContact NH1-CD 3.3Å; R240-E544 IonicContact NH1-OE1 2.65Å; R240-E544 PolarHBondContact NH1-OE1 3.21Å; R240-E544 VanDerWaalsContact NH1-OE1 3.12Å; R240-E544 IonicContact NH1-OE2 2.9Å; R240-E544 PolarHBondContact NH1-OE2 2.85Å; R240-E544 IonicContact NH2-OE1 3.17Å; R240-E544 PolarHBondContact NH2-OE1 2.77Å; R240-E544 IonicContact NH2-OE2 2.92Å |
| 241 | G | 97 | Very high | 96.2 | Very high | 11 Ų | 11 | 10 Ų | 10 | 11% | 0.113 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -64.6 | -1.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D239 D243 V447 | D239-G241 PolarHBondContact O-N 3Å; D239-G241 VanDerWaalsContact O-N 3.08Å; G241-D243 VanDerWaalsContact C-N 3.31Å; G241-D243 PolarHBondContact O-N 3.38Å; G241-V447 WeakPolarHBondContact O-CG2 3.32Å |
| 242 | F | 96.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 9.5 Ų | 9.5 | 15% | 0.149 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -65.5 | -31.3 | 179 | 84 | -80.5 | 0 | 0 | 0 | 113.9 | I238 D239 R240 F477 I478 I481 V536 E544 | I238-F242 HydrophobicContact CG2-CB 3.72Å; I238-F242 HydrophobicContact CG2-CD1 3.61Å; I238-F242 HydrophobicContact CG2-CD2 4.32Å; I238-F242 HydrophobicContact CG2-CE1 4.29Å; I238-F242 HydrophobicContact CG2-CG 3.6Å; D239-F242 VanDerWaalsContact O-CD1 3.22Å; D239-F242 WeakPolarHBondContact O-CD1 3.22Å; D239-F242 PolarHBondContact O-N 2.78Å; R240-F242 PolarHBondContact O-N 3.18Å; F242-F477 HydrophobicContact CD2-CB 4.36Å; F242-F477 HydrophobicContact CE2-CB 4.21Å; F242-I478 HydrophobicContact CE2-CB 3.88Å; F242-I478 HydrophobicContact CE2-CG1 4.11Å; F242-I478 HydrophobicContact CZ-CB 3.88Å; F242-I478 HydrophobicContact CZ-CD1 3.96Å; F242-I478 HydrophobicContact CZ-CG1 3.93Å; F242-I481 HydrophobicContact CD2-CD1 3.74Å; F242-I481 HydrophobicContact CE2-CD1 3.88Å; F242-V536 HydrophobicContact CE1-CG1 4.02Å; F242-V536 HydrophobicContact CE1-CG2 4.24Å; F242-E544 VanDerWaalsContact CZ-OE1 3.25Å; F242-E544 WeakPolarHBondContact CZ-OE1 3.42Å |
| 243 | D | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -138.2 | 82.4 | 179.7 | -172.6 | -6.1 | 0 | 0 | 0 | 110 | R240 G241 V245 S246 P476 F477 | R240-D243 PolarHBondContact NH2-O 3.06Å; G241-D243 VanDerWaalsContact C-N 3.31Å; G241-D243 PolarHBondContact O-N 3.38Å; D243-V245 VanDerWaalsContact C-N 3.31Å; D243-V245 PolarHBondContact OD1-N 3.5Å; D243-S246 VanDerWaalsContact CG-CB 3.5Å; D243-S246 WeakPolarHBondContact OD1-CB 3.43Å; D243-S246 PolarHBondContact OD1-N 3.02Å; D243-S246 PolarHBondContact OD1-OG 2.73Å; D243-S246 VanDerWaalsContact OD2-CB 3.25Å; D243-S246 WeakPolarHBondContact OD2-CB 3.34Å; D243-S246 PolarHBondContact OD2-OG 3.2Å; D243-P476 WeakPolarHBondContact OD2-CA 3.45Å; D243-F477 HydrophobicContact CB-CB 4.06Å; D243-F477 HydrophobicContact CB-CD2 4.11Å; D243-F477 PolarHBondContact OD2-N 3.12Å | ||
| 244 | P | 97.8 | Very high | 97.7 | Very high | 17 Ų | 17 | 7.1 Ų | 7.1 | 11% | 0.11 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -77.5 | -17.1 | 178.8 | 32.4 | -36.6 | 0 | 0 | 0 | 113 | T247 F413 W442 V447 | P244-T247 VanDerWaalsContact C-OG1 3.29Å; P244-T247 PolarHBondContact O-OG1 3.49Å; P244-F413 HydrophobicContact CB-CD1 4.23Å; P244-F413 HydrophobicContact CB-CD2 3.94Å; P244-F413 HydrophobicContact CB-CE1 3.98Å; P244-F413 HydrophobicContact CB-CE2 3.66Å; P244-F413 HydrophobicContact CB-CG 4.22Å; P244-F413 HydrophobicContact CB-CZ 3.68Å; P244-F413 HydrophobicContact CG-CD1 4.18Å; P244-F413 HydrophobicContact CG-CD2 4.19Å; P244-F413 HydrophobicContact CG-CE1 4.39Å; P244-F413 HydrophobicContact CG-CE2 4.39Å; P244-F413 HydrophobicContact CG-CG 4.09Å; P244-F413 HydrophobicContact CG-CZ 4.49Å; P244-F413 VanDerWaalsContact O-CE2 3.22Å; P244-F413 WeakPolarHBondContact O-CE2 3.01Å; P244-W442 HydrophobicContact CB-CE3 3.9Å; P244-W442 HydrophobicContact CB-CH2 4.11Å; P244-W442 HydrophobicContact CB-CZ3 3.49Å; P244-W442 VanDerWaalsContact CB-CZ3 3.49Å; P244-V447 HydrophobicContact CB-CG1 4.05Å; P244-V447 HydrophobicContact CB-CG2 4.01Å; P244-V447 HydrophobicContact CG-CG1 3.87Å; P244-V447 HydrophobicContact CG-CG2 4.11Å |
| 245 | V | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 7.1 Ų | 7.1 | 6% | 0.055 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -74.5 | -50.3 | -178.8 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | D243 T247 V248 L249 A373 L410 F413 W474 | D243-V245 VanDerWaalsContact C-N 3.31Å; D243-V245 PolarHBondContact OD1-N 3.5Å; V245-T247 PolarHBondContact O-N 2.88Å; V245-V248 PolarHBondContact O-N 3.08Å; V245-V248 VanDerWaalsContact O-N 3.12Å; V245-L249 HydrophobicContact CG1-CD1 4.35Å; V245-L249 WeakPolarHBondContact O-CB 3.26Å; V245-L249 PolarHBondContact O-N 3Å; V245-A373 HydrophobicContact CG1-CB 3.7Å; V245-L410 HydrophobicContact CB-CD2 4.41Å; V245-L410 HydrophobicContact CG1-CD2 3.74Å; V245-F413 HydrophobicContact CG2-CB 3.87Å; V245-F413 HydrophobicContact CG2-CD2 4.15Å; V245-F413 HydrophobicContact CG2-CG 4.43Å; V245-W474 HydrophobicContact CB-CH2 3.78Å; V245-W474 HydrophobicContact CB-CZ2 3.46Å; V245-W474 VanDerWaalsContact CB-CZ2 3.46Å; V245-W474 HydrophobicContact CG1-CD2 3.72Å; V245-W474 VanDerWaalsContact CG1-CE2 3.42Å; V245-W474 HydrophobicContact CG1-CE3 3.97Å; V245-W474 HydrophobicContact CG1-CG 4.42Å; V245-W474 HydrophobicContact CG1-CH2 3.68Å; V245-W474 HydrophobicContact CG1-CZ2 3.42Å; V245-W474 VanDerWaalsContact CG1-CZ2 3.42Å; V245-W474 HydrophobicContact CG1-CZ3 3.94Å; V245-W474 HydrophobicContact CG2-CH2 4.01Å; V245-W474 HydrophobicContact CG2-CZ2 4.18Å |
| 246 | S | 98.1 | Very high | 97.9 | Very high | 8 Ų | 8 | 7.6 Ų | 7.6 | 6% | 0.056 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.3 | -179.1 | -65.1 | 0 | 0 | 0 | 0 | 114.2 | D243 W474 P476 | D243-S246 VanDerWaalsContact CG-CB 3.5Å; D243-S246 WeakPolarHBondContact OD1-CB 3.43Å; D243-S246 PolarHBondContact OD1-N 3.02Å; D243-S246 PolarHBondContact OD1-OG 2.73Å; D243-S246 VanDerWaalsContact OD2-CB 3.25Å; D243-S246 WeakPolarHBondContact OD2-CB 3.34Å; D243-S246 PolarHBondContact OD2-OG 3.2Å; S246-W474 PolarHBondContact OG-NE1 3.4Å; S246-P476 VanDerWaalsContact OG-CA 3.27Å; S246-P476 WeakPolarHBondContact OG-CA 3.31Å; S246-P476 WeakPolarHBondContact OG-CB 3.34Å |
| 247 | T | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 1% | 0.012 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -16.3 | -178.7 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | P244 V245 W442 T541 L573 | P244-T247 VanDerWaalsContact C-OG1 3.29Å; P244-T247 PolarHBondContact O-OG1 3.49Å; V245-T247 PolarHBondContact O-N 2.88Å; T247-W442 VanDerWaalsContact OG1-CH2 3.22Å; T247-W442 WeakPolarHBondContact OG1-CH2 3.48Å; T247-T541 HydrophobicContact CG2-CG2 3.78Å; T247-L573 VanDerWaalsContact CB-CD2 3.4Å; T247-L573 HydrophobicContact CG2-CD2 3.93Å |
| 248 | V | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -13.3 | -177.7 | -59.5 | 0 | 0 | 0 | 0 | 113.5 | V245 R406 L409 L410 F413 W442 L574 | V245-V248 PolarHBondContact O-N 3.08Å; V245-V248 VanDerWaalsContact O-N 3.12Å; V248-R406 HydrophobicContact CB-CB 4.44Å; V248-R406 HydrophobicContact CB-CG 4.26Å; V248-R406 VanDerWaalsContact O-CZ 3.29Å; V248-R406 PolarHBondContact O-NE 3.06Å; V248-R406 PolarHBondContact O-NH2 3.47Å; V248-L409 HydrophobicContact CG1-CD1 4.05Å; V248-L409 HydrophobicContact CG2-CB 4.36Å; V248-L410 HydrophobicContact CG2-CD2 3.8Å; V248-L410 HydrophobicContact CG2-CG 3.89Å; V248-F413 HydrophobicContact CG2-CD2 4.37Å; V248-F413 HydrophobicContact CG2-CE2 3.9Å; V248-W442 HydrophobicContact CG1-CZ2 3.91Å; V248-L574 HydrophobicContact CG1-CD2 4.36Å |
| 249 | L | 97.9 | Very high | 97.9 | Very high | 14 Ų | 14 | 8.5 Ų | 8.5 | 7% | 0.073 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -71 | 137.3 | 177.2 | -173.8 | 107.8 | 0 | 0 | 0 | 111.4 | V245 E251 E369 A373 L410 W474 | V245-L249 HydrophobicContact CG1-CD1 4.35Å; V245-L249 WeakPolarHBondContact O-CB 3.26Å; V245-L249 PolarHBondContact O-N 3Å; L249-E251 PolarHBondContact O-N 3.03Å; L249-E369 HydrophobicContact CD1-CB 4.14Å; L249-A373 HydrophobicContact CD1-CB 3.71Å; L249-L410 HydrophobicContact CB-CD2 4.35Å; L249-L410 HydrophobicContact CD1-CD1 4.35Å; L249-L410 HydrophobicContact CD1-CD2 4.16Å; L249-W474 HydrophobicContact CD1-CB 4.39Å; L249-W474 HydrophobicContact CD2-CB 3.66Å; L249-W474 HydrophobicContact CD2-CG 3.85Å |
| 250 | H | 98 | Very high | 97.8 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 2% | 0.019 | 5% | 0.054 | C | C | . | . | trans | -67.4 | 130.1 | 166.1 | -72.7 | 92.2 | 0 | 0 | 0 | 110.4 | D260 I362 E369 D403 R406 | H250-D260 IonicContact CD2-OD2 2.75Å; H250-D260 PolarHBondContact CD2-OD2 3.49Å; H250-D260 IonicContact CG-OD2 2.78Å; H250-D260 IonicContact NE2-OD2 2.85Å; H250-I362 HydrophobicContact CB-CG2 4.37Å; H250-E369 WeakPolarHBondContact CB-OE2 3.23Å; H250-E369 IonicContact CE1-OE1 3.29Å; H250-E369 IonicContact CG-OE1 2.71Å; H250-E369 IonicContact CG-OE2 3.16Å; H250-E369 PolarHBondContact N-OE2 3.25Å; H250-E369 VanDerWaalsContact ND1-CD 3.27Å; H250-E369 IonicContact ND1-OE1 4Å; H250-E369 PolarHBondContact ND1-OE1 2.97Å; H250-E369 IonicContact ND1-OE2 2.68Å; H250-E369 PolarHBondContact ND1-OE2 3.46Å; H250-D403 IonicContact CE1-OD1 2.91Å; H250-D403 IonicContact NE2-OD1 3.56Å; H250-R406 PolarHBondContact CD2-NH2 3.17Å; H250-R406 PolarHBondContact CE1-NH1 3.16Å; H250-R406 VanDerWaalsContact CE1-NH1 3.29Å; H250-R406 PolarHBondContact ND1-NH2 2.81Å; H250-R406 PolarHBondContact NE2-NH1 2.96Å | ||
| 251 | E | 96.7 | Very high | 97.8 | Very high | 23 Ų | 23 | 10.8 Ų | 10.8 | 11% | 0.107 | 6% | 0.06 | C | C | . | . | trans | -115.6 | 135 | 175.9 | -171.5 | -171.1 | 176.9 | 0 | 0 | 110.2 | L249 T253 A256 M257 S543 R546 | L249-E251 PolarHBondContact O-N 3.03Å; E251-T253 HydrophobicContact CG-CG2 4.18Å; E251-T253 VanDerWaalsContact OE1-CG2 3.31Å; E251-T253 WeakPolarHBondContact OE1-CG2 3.39Å; E251-T253 PolarHBondContact OE1-OG1 3.38Å; E251-A256 HydrophobicContact CB-CB 3.91Å; E251-A256 HydrophobicContact CG-CB 4.11Å; E251-A256 WeakPolarHBondContact OE2-CB 3.44Å; E251-M257 WeakPolarHBondContact O-CA 3.45Å; E251-M257 WeakPolarHBondContact O-CB 3.5Å; E251-M257 PolarHBondContact O-N 3.17Å; E251-S543 WeakPolarHBondContact OE2-CA 3.28Å; E251-S543 WeakPolarHBondContact OE2-CB 3.37Å; E251-S543 PolarHBondContact OE2-N 2.87Å; E251-R546 IonicContact OE1-CZ 3.85Å; E251-R546 IonicContact OE1-NE 3.9Å; E251-R546 PolarHBondContact OE1-NE 3.03Å; E251-R546 IonicContact OE1-NH2 2.86Å; E251-R546 PolarHBondContact OE1-NH2 2.81Å | ||
| 252 | L | 97.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 11.1 Ų | 11.1 | 3% | 0.026 | 6% | 0.059 | C | C | . | . | trans | -99.2 | 19.9 | -176.2 | -51.6 | -178.3 | 0 | 0 | 0 | 113.2 | M257 H296 I297 F358 L471 S472 | L252-M257 HydrophobicContact CD2-CE 4.17Å; L252-M257 HydrophobicContact CD2-SD 4.28Å; L252-H296 WeakPolarHBondContact CB-NE2 3.23Å; L252-H296 WeakPolarHBondContact O-CA 3.17Å; L252-I297 HydrophobicContact CB-CG2 4.19Å; L252-I297 PolarHBondContact O-N 2.96Å; L252-F358 HydrophobicContact CD1-CE2 3.87Å; L252-F358 HydrophobicContact CD1-CZ 4.18Å; L252-F358 HydrophobicContact CD2-CD2 3.79Å; L252-F358 HydrophobicContact CD2-CE2 3.69Å; L252-F358 HydrophobicContact CG-CE2 4.46Å; L252-L471 HydrophobicContact CD1-CB 3.86Å; L252-S472 WeakPolarHBondContact CB-OG 3.21Å; L252-S472 WeakPolarHBondContact CG-OG 3.46Å | ||
| 253 | T | 98.2 | Very high | 97.7 | Very high | 10 Ų | 10 | 15 Ų | 15 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -81.1 | 143.5 | 165 | 65 | 0 | 0 | 0 | 0 | 109.5 | E251 Q255 A256 M257 R295 | E251-T253 HydrophobicContact CG-CG2 4.18Å; E251-T253 VanDerWaalsContact OE1-CG2 3.31Å; E251-T253 WeakPolarHBondContact OE1-CG2 3.39Å; E251-T253 PolarHBondContact OE1-OG1 3.38Å; T253-Q255 PolarHBondContact O-N 2.87Å; T253-A256 PolarHBondContact O-N 3.18Å; T253-M257 WeakPolarHBondContact O-CB 3.29Å; T253-M257 PolarHBondContact O-N 3.05Å; T253-R295 WeakPolarHBondContact CA-O 3.35Å |
| 254 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | -159.8 | -175 | -145.6 | 0 | 0 | 0 | 114.2 | A258 W289 V292 R293 R295 I297 V300 H347 L350 A351 | F254-A258 WeakPolarHBondContact O-CB 3.41Å; F254-A258 PolarHBondContact O-N 3.32Å; F254-W289 HydrophobicContact CD1-CE3 4.27Å; F254-W289 AromaticContact CD1-CZ3 3.77Å; F254-W289 HydrophobicContact CD1-CZ3 3.77Å; F254-W289 HydrophobicContact CE1-CE3 4.05Å; F254-W289 AromaticContact CE1-CZ3 3.68Å; F254-W289 HydrophobicContact CE1-CZ3 3.68Å; F254-W289 HydrophobicContact CG-CZ3 4.5Å; F254-W289 HydrophobicContact CZ-CZ3 4.34Å; F254-V292 HydrophobicContact CD1-CB 4.33Å; F254-V292 HydrophobicContact CD1-CG2 3.65Å; F254-V292 HydrophobicContact CE1-CG2 3.74Å; F254-R293 PolarHBondContact N-O 2.98Å; F254-R295 PolarHBondContact N-O 3.35Å; F254-I297 HydrophobicContact CD2-CD1 3.85Å; F254-I297 HydrophobicContact CE2-CD1 4.25Å; F254-V300 HydrophobicContact CB-CG2 3.9Å; F254-V300 HydrophobicContact CD1-CG1 3.9Å; F254-V300 HydrophobicContact CD1-CG2 4.29Å; F254-V300 HydrophobicContact CD2-CG1 4.43Å; F254-V300 HydrophobicContact CE1-CG1 4Å; F254-V300 HydrophobicContact CG-CG1 4.12Å; F254-V300 HydrophobicContact CG-CG2 4.19Å; F254-V300 HydrophobicContact CZ-CG1 4.3Å; F254-H347 HydrophobicContact CE1-CB 4.45Å; F254-L350 HydrophobicContact CE1-CD2 4.16Å; F254-L350 HydrophobicContact CE2-CB 4.26Å; F254-L350 HydrophobicContact CE2-CD2 3.97Å; F254-L350 HydrophobicContact CE2-CG 3.79Å; F254-L350 HydrophobicContact CZ-CB 3.93Å; F254-L350 HydrophobicContact CZ-CD2 3.55Å; F254-L350 HydrophobicContact CZ-CG 3.72Å; F254-A351 HydrophobicContact CE2-CB 3.92Å; F254-A351 HydrophobicContact CZ-CB 4.18Å |
| 255 | Q | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66 | -54.4 | 176.9 | -171.7 | 173 | 22.3 | 0 | 0 | 112.1 | E144 T253 M257 A258 Y259 W289 R293 H294 Y542 | E144-Q255 PolarHBondContact OE1-NE2 2.93Å; T253-Q255 PolarHBondContact O-N 2.87Å; Q255-M257 VanDerWaalsContact C-N 3.28Å; Q255-M257 PolarHBondContact O-N 3.05Å; Q255-A258 PolarHBondContact O-N 2.99Å; Q255-Y259 HydrophobicContact CG-CD2 4.06Å; Q255-Y259 HydrophobicContact CG-CE2 4.09Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.15Å; Q255-Y259 PolarHBondContact O-N 2.95Å; Q255-W289 HydrophobicContact CB-CH2 4.11Å; Q255-W289 HydrophobicContact CB-CZ2 4.17Å; Q255-W289 HydrophobicContact CG-CH2 4.16Å; Q255-W289 HydrophobicContact CG-CZ2 3.83Å; Q255-R293 HydrophobicContact CB-CB 4.04Å; Q255-R293 VanDerWaalsContact CB-O 3.24Å; Q255-R293 WeakPolarHBondContact CB-O 3.45Å; Q255-R293 PolarHBondContact N-O 3.02Å; Q255-H294 PolarHBondContact OE1-CE1 3.39Å; Q255-H294 PolarHBondContact OE1-ND1 3.31Å; Q255-Y542 HydrophobicContact CG-CD1 3.56Å; Q255-Y542 HydrophobicContact CG-CE1 4.07Å; Q255-Y542 HydrophobicContact CG-CG 4.14Å |
| 256 | A | 98.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E251 T253 A258 Y259 D260 | E251-A256 HydrophobicContact CB-CB 3.91Å; E251-A256 HydrophobicContact CG-CB 4.11Å; E251-A256 WeakPolarHBondContact OE2-CB 3.44Å; T253-A256 PolarHBondContact O-N 3.18Å; A256-A258 PolarHBondContact O-N 2.92Å; A256-Y259 PolarHBondContact O-N 3.15Å; A256-D260 VanDerWaalsContact O-CB 3.3Å; A256-D260 WeakPolarHBondContact O-CB 3.42Å; A256-D260 PolarHBondContact O-N 2.8Å |
| 257 | M | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.2 | -170 | 179.8 | -173.3 | 0 | 0 | 112.2 | E251 L252 T253 Q255 D260 L261 I297 C354 M355 F358 | E251-M257 WeakPolarHBondContact O-CA 3.45Å; E251-M257 WeakPolarHBondContact O-CB 3.5Å; E251-M257 PolarHBondContact O-N 3.17Å; L252-M257 HydrophobicContact CD2-CE 4.17Å; L252-M257 HydrophobicContact CD2-SD 4.28Å; T253-M257 WeakPolarHBondContact O-CB 3.29Å; T253-M257 PolarHBondContact O-N 3.05Å; Q255-M257 VanDerWaalsContact C-N 3.28Å; Q255-M257 PolarHBondContact O-N 3.05Å; M257-D260 PolarHBondContact O-N 3.44Å; M257-L261 HydrophobicContact CE-CD1 3.69Å; M257-L261 HydrophobicContact CG-CD1 3.66Å; M257-L261 HydrophobicContact CG-CG 4.3Å; M257-L261 WeakPolarHBondContact O-CB 3.29Å; M257-L261 WeakPolarHBondContact O-CG 3.39Å; M257-L261 PolarHBondContact O-N 3.4Å; M257-I297 HydrophobicContact SD-CB 3.87Å; M257-I297 HydrophobicContact SD-CD1 4.46Å; M257-I297 HydrophobicContact SD-CG1 3.93Å; M257-I297 HydrophobicContact SD-CG2 3.99Å; M257-C354 HydrophobicContact CE-CB 3.92Å; M257-C354 WeakPolarHBondContact CE-O 3.1Å; M257-C354 HydrophobicContact CG-CB 4.21Å; M257-C354 HydrophobicContact SD-CB 3.94Å; M257-M355 HydrophobicContact CE-SD 4.4Å; M257-F358 HydrophobicContact CE-CB 3.48Å; M257-F358 VanDerWaalsContact CE-CB 3.48Å; M257-F358 HydrophobicContact CE-CD2 4.1Å; M257-F358 HydrophobicContact CE-CG 3.92Å |
| 258 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F254 Q255 A256 D260 L262 I264 L350 C354 | F254-A258 WeakPolarHBondContact O-CB 3.41Å; F254-A258 PolarHBondContact O-N 3.32Å; Q255-A258 PolarHBondContact O-N 2.99Å; A256-A258 PolarHBondContact O-N 2.92Å; A258-D260 VanDerWaalsContact C-N 3.32Å; A258-D260 PolarHBondContact O-N 3.17Å; A258-L262 VanDerWaalsContact O-CB 3.26Å; A258-L262 WeakPolarHBondContact O-CB 3.41Å; A258-L262 PolarHBondContact O-N 3.09Å; A258-I264 HydrophobicContact CB-CD1 3.93Å; A258-L350 HydrophobicContact CB-CD1 4.11Å; A258-L350 HydrophobicContact CB-CD2 4.42Å; A258-L350 HydrophobicContact CB-CG 4.37Å; A258-C354 VanDerWaalsContact CA-SG 3.59Å |
| 259 | Y | 98 | Very high | 96.8 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 7% | 0.071 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.3 | -19 | -178.9 | -79 | -95.8 | 0 | 0 | 0 | 113.9 | Q255 A256 I264 D267 L282 W289 Y542 T569 | Q255-Y259 HydrophobicContact CG-CD2 4.06Å; Q255-Y259 HydrophobicContact CG-CE2 4.09Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.15Å; Q255-Y259 PolarHBondContact O-N 2.95Å; A256-Y259 PolarHBondContact O-N 3.15Å; Y259-I264 HydrophobicContact CD1-CB 4.11Å; Y259-I264 HydrophobicContact CD1-CG2 3.94Å; Y259-I264 HydrophobicContact CD2-CD1 4.25Å; Y259-I264 HydrophobicContact CE1-CB 4.22Å; Y259-I264 HydrophobicContact CE1-CG2 3.53Å; Y259-I264 HydrophobicContact CE2-CD1 4.42Å; Y259-I264 HydrophobicContact CG-CD1 4.32Å; Y259-D267 WeakPolarHBondContact CE1-OD1 3.37Å; Y259-D267 PolarHBondContact OH-OD1 3.49Å; Y259-L282 HydrophobicContact CE2-CD1 4.14Å; Y259-W289 HydrophobicContact CE2-CZ2 4.31Å; Y259-Y542 HydrophobicContact CD1-CE1 4.5Å; Y259-Y542 AromaticContact CD1-CE2 3.77Å; Y259-Y542 HydrophobicContact CD1-CE2 3.77Å; Y259-Y542 AromaticContact CD1-CZ 3.53Å; Y259-Y542 WeakPolarHBondContact CD1-OH 3.33Å; Y259-Y542 HydrophobicContact CD2-CE1 4.07Å; Y259-Y542 HydrophobicContact CD2-CE2 4.04Å; Y259-Y542 AromaticContact CD2-CZ 3.77Å; Y259-Y542 AromaticContact CE1-CZ 3.83Å; Y259-Y542 WeakPolarHBondContact CE1-OH 3.39Å; Y259-Y542 HydrophobicContact CE2-CE1 4.16Å; Y259-Y542 HydrophobicContact CG-CD2 4.2Å; Y259-Y542 HydrophobicContact CG-CE1 4.23Å; Y259-Y542 AromaticContact CG-CE2 3.45Å; Y259-Y542 HydrophobicContact CG-CE2 3.45Å; Y259-Y542 VanDerWaalsContact CG-CE2 3.45Å; Y259-Y542 AromaticContact CG-CZ 3.46Å; Y259-Y542 VanDerWaalsContact CG-CZ 3.46Å; Y259-T569 WeakPolarHBondContact O-CG2 3.35Å |
| 260 | D | 97.3 | Very high | 96.7 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -81.9 | -45.9 | 172.7 | -169.6 | 19.4 | 0 | 0 | 0 | 111.6 | H250 A256 M257 A258 R406 P570 | H250-D260 IonicContact CD2-OD2 2.75Å; H250-D260 PolarHBondContact CD2-OD2 3.49Å; H250-D260 IonicContact CG-OD2 2.78Å; H250-D260 IonicContact NE2-OD2 2.85Å; A256-D260 VanDerWaalsContact O-CB 3.3Å; A256-D260 WeakPolarHBondContact O-CB 3.42Å; A256-D260 PolarHBondContact O-N 2.8Å; M257-D260 PolarHBondContact O-N 3.44Å; A258-D260 VanDerWaalsContact C-N 3.32Å; A258-D260 PolarHBondContact O-N 3.17Å; D260-R406 IonicContact OD1-CZ 2.62Å; D260-R406 IonicContact OD1-NH1 2.61Å; D260-R406 PolarHBondContact OD1-NH1 3.41Å; D260-R406 IonicContact OD1-NH2 3.72Å; D260-R406 IonicContact OD2-CZ 2.79Å; D260-R406 IonicContact OD2-NH1 2.62Å; D260-R406 PolarHBondContact OD2-NH1 2.91Å; D260-R406 VanDerWaalsContact OD2-NH1 3.16Å; D260-R406 IonicContact OD2-NH2 3Å; D260-R406 PolarHBondContact OD2-NH2 3.37Å; D260-P570 WeakPolarHBondContact OD1-CG 3.49Å |
| 261 | L | 96.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -92.8 | -21.4 | -169 | -59.6 | -175 | 0 | 0 | 0 | 114.9 | M257 K357 I362 | M257-L261 HydrophobicContact CE-CD1 3.69Å; M257-L261 HydrophobicContact CG-CD1 3.66Å; M257-L261 HydrophobicContact CG-CG 4.3Å; M257-L261 WeakPolarHBondContact O-CB 3.29Å; M257-L261 WeakPolarHBondContact O-CG 3.39Å; M257-L261 PolarHBondContact O-N 3.4Å; L261-K357 HydrophobicContact CB-CB 4.28Å; L261-K357 HydrophobicContact CD1-CB 4.24Å; L261-I362 HydrophobicContact CD2-CG1 4.11Å |
| 262 | L | 97 | Very high | 96.2 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -116.1 | 150.1 | -172.6 | -53.2 | 179 | 0 | 0 | 0 | 111.6 | A258 I264 Y269 L350 D353 K357 | A258-L262 VanDerWaalsContact O-CB 3.26Å; A258-L262 WeakPolarHBondContact O-CB 3.41Å; A258-L262 PolarHBondContact O-N 3.09Å; L262-I264 HydrophobicContact CB-CD1 4.41Å; L262-I264 HydrophobicContact CB-CG1 4.18Å; L262-I264 PolarHBondContact O-N 2.95Å; L262-Y269 HydrophobicContact CD1-CE2 4.14Å; L262-L350 HydrophobicContact CD1-CD1 3.48Å; L262-L350 VanDerWaalsContact CD1-CD1 3.48Å; L262-D353 HydrophobicContact CD1-CB 4.01Å; L262-D353 HydrophobicContact CD2-CB 3.91Å; L262-K357 HydrophobicContact CD2-CG 4.17Å |
| 263 | P | 95.4 | Very high | 95.6 | Very high | 114 Ų | 114 | 45.5 Ų | 45.5 | 74% | 0.74 | 22% | 0.223 | S | C | * | . | trans | -77.9 | 67 | -179.9 | 34 | -36.5 | 0 | 0 | 0 | 111.1 | ||||
| 264 | I | 97.2 | Very high | 94.9 | Very high | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | trans | -86.5 | 120 | 176.6 | -60.6 | 173 | 0 | 0 | 0 | 108.7 | A258 Y259 L262 L282 L350 | A258-I264 HydrophobicContact CB-CD1 3.93Å; Y259-I264 HydrophobicContact CD1-CB 4.11Å; Y259-I264 HydrophobicContact CD1-CG2 3.94Å; Y259-I264 HydrophobicContact CD2-CD1 4.25Å; Y259-I264 HydrophobicContact CE1-CB 4.22Å; Y259-I264 HydrophobicContact CE1-CG2 3.53Å; Y259-I264 HydrophobicContact CE2-CD1 4.42Å; Y259-I264 HydrophobicContact CG-CD1 4.32Å; L262-I264 HydrophobicContact CB-CD1 4.41Å; L262-I264 HydrophobicContact CB-CG1 4.18Å; L262-I264 PolarHBondContact O-N 2.95Å; I264-L282 HydrophobicContact CD1-CD1 3.9Å; I264-L350 HydrophobicContact CD1-CD1 4.37Å | ||
| 265 | E | 92 | Very high | 94.2 | Very high | 142 Ų | 142 | 53.7 Ų | 53.7 | 66% | 0.664 | 28% | 0.284 | S | S | * | . | B | Isolated β-bridge | trans | -119.2 | 128.4 | 178 | -68.7 | -176 | -175.3 | 0 | 0 | 110.1 | D267 T268 | E265-D267 PolarHBondContact O-N 2.73Å; E265-T268 PolarHBondContact N-O 2.58Å; E265-T268 WeakPolarHBondContact O-CA 3.43Å; E265-T268 VanDerWaalsContact O-CB 3.24Å; E265-T268 WeakPolarHBondContact O-CB 3.17Å; E265-T268 PolarHBondContact O-N 3.18Å |
| 266 | K | 90.2 | Very high | 93.7 | Very high | 194 Ų | 194 | 60.7 Ų | 60.7 | 84% | 0.843 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 47.2 | -179.3 | -55.3 | 179.4 | -176.8 | 175.1 | 0 | 111.6 | T268 | K266-T268 PolarHBondContact O-N 3.47Å; K266-T268 PolarHBondContact O-OG1 2.81Å |
| 267 | D | 94.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 67.2 Ų | 67.2 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 12.5 | -178.8 | -49.4 | -42.9 | 0 | 0 | 0 | 114.7 | H143 Y259 E265 V281 L282 | H143-D267 IonicContact CE1-OD2 3.65Å; Y259-D267 WeakPolarHBondContact CE1-OD1 3.37Å; Y259-D267 PolarHBondContact OH-OD1 3.49Å; E265-D267 PolarHBondContact O-N 2.73Å; D267-V281 CarbonylContact O-C 3.52Å; D267-V281 WeakPolarHBondContact O-CA 3.48Å; D267-L282 PolarHBondContact O-N 3.47Å |
| 268 | T | 96.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 71 Ų | 71 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 112.9 | 178.8 | -56 | 0 | 0 | 0 | 0 | 109.9 | E265 K266 E279 A280 | E265-T268 PolarHBondContact N-O 2.58Å; E265-T268 WeakPolarHBondContact O-CA 3.43Å; E265-T268 VanDerWaalsContact O-CB 3.24Å; E265-T268 WeakPolarHBondContact O-CB 3.17Å; E265-T268 PolarHBondContact O-N 3.18Å; K266-T268 PolarHBondContact O-N 3.47Å; K266-T268 PolarHBondContact O-OG1 2.81Å; T268-E279 HydrophobicContact CG2-CB 4.01Å; T268-A280 WeakPolarHBondContact CA-O 3.42Å |
| 269 | Y | 97.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 76.8 Ų | 76.8 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.9 | 173.5 | 168 | -125.3 | 0 | 0 | 0 | 110.2 | L262 Y271 E279 A280 V346 N349 L350 D353 | L262-Y269 HydrophobicContact CD1-CE2 4.14Å; Y269-Y271 AromaticContact CD1-CD1 3.88Å; Y269-Y271 HydrophobicContact CD1-CD1 3.88Å; Y269-Y271 HydrophobicContact CD1-CG 4.38Å; Y269-Y271 AromaticContact CE1-CD1 3.78Å; Y269-Y271 HydrophobicContact CE1-CD1 3.78Å; Y269-Y271 AromaticContact CE1-CG 3.81Å; Y269-Y271 HydrophobicContact CE1-CG 3.81Å; Y269-Y271 VanDerWaalsContact CZ-CB 3.42Å; Y269-Y271 VanDerWaalsContact OH-CB 3.29Å; Y269-Y271 WeakPolarHBondContact OH-CB 3.13Å; Y269-E279 CarbonylContact O-C 3.6Å; Y269-E279 WeakPolarHBondContact O-CA 3.05Å; Y269-A280 PolarHBondContact N-O 3.25Å; Y269-A280 PolarHBondContact O-N 2.87Å; Y269-V346 HydrophobicContact CD1-CG1 4.17Å; Y269-N349 HydrophobicContact CE1-CB 4.45Å; Y269-N349 PolarHBondContact OH-O 2.91Å; Y269-L350 HydrophobicContact CD1-CB 4.22Å; Y269-L350 HydrophobicContact CD1-CD1 3.89Å; Y269-L350 HydrophobicContact CD2-CD1 3.66Å; Y269-L350 HydrophobicContact CE1-CB 3.68Å; Y269-L350 HydrophobicContact CE1-CD1 3.86Å; Y269-L350 HydrophobicContact CE1-CG 4.36Å; Y269-L350 HydrophobicContact CE2-CD1 3.67Å; Y269-L350 HydrophobicContact CG-CD1 3.78Å; Y269-L350 WeakPolarHBondContact OH-CA 3.4Å; Y269-L350 PolarHBondContact OH-N 2.74Å; Y269-D353 PolarHBondContact OH-OD2 3.3Å |
| 270 | K | 96.6 | Very high | 93 | Very high | 132 Ų | 132 | 76.7 Ų | 76.7 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.7 | 177.3 | -51.1 | -165.1 | -176.5 | -151.3 | 0 | 109.9 | K278 E279 | K270-K278 WeakPolarHBondContact CA-O 3.21Å; K270-E279 HydrophobicContact CD-CG 4.36Å; K270-E279 WeakPolarHBondContact CD-OE1 3.37Å; K270-E279 WeakPolarHBondContact CE-OE1 3.05Å; K270-E279 HydrophobicContact CG-CG 4.04Å; K270-E279 IonicContact NZ-OE1 3.75Å; K270-E279 PolarHBondContact NZ-OE1 3.25Å |
| 271 | Y | 93.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 78.8 Ų | 78.8 | 9% | 0.09 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 162 | -174.7 | 68 | -78 | 0 | 0 | 0 | 112.4 | Y269 T273 K278 A280 V345 V346 N349 | Y269-Y271 AromaticContact CD1-CD1 3.88Å; Y269-Y271 HydrophobicContact CD1-CD1 3.88Å; Y269-Y271 HydrophobicContact CD1-CG 4.38Å; Y269-Y271 AromaticContact CE1-CD1 3.78Å; Y269-Y271 HydrophobicContact CE1-CD1 3.78Å; Y269-Y271 AromaticContact CE1-CG 3.81Å; Y269-Y271 HydrophobicContact CE1-CG 3.81Å; Y269-Y271 VanDerWaalsContact CZ-CB 3.42Å; Y269-Y271 VanDerWaalsContact OH-CB 3.29Å; Y269-Y271 WeakPolarHBondContact OH-CB 3.13Å; Y271-T273 WeakPolarHBondContact CD2-OG1 3.26Å; Y271-T273 VanDerWaalsContact CE2-OG1 3.29Å; Y271-T273 WeakPolarHBondContact CE2-OG1 3.46Å; Y271-K278 HydrophobicContact CD1-CB 4.24Å; Y271-K278 HydrophobicContact CE1-CB 3.73Å; Y271-K278 HydrophobicContact CE2-CB 4.07Å; Y271-K278 HydrophobicContact CE2-CD 4.02Å; Y271-K278 PolarHBondContact N-O 3.43Å; Y271-K278 PolarHBondContact O-N 3.48Å; Y271-A280 HydrophobicContact CE1-CB 3.89Å; Y271-V345 HydrophobicContact CE2-CG1 4.31Å; Y271-V346 HydrophobicContact CE1-CG2 3.95Å; Y271-V346 WeakPolarHBondContact OH-CG2 3.44Å; Y271-N349 HydrophobicContact CD2-CB 3.95Å; Y271-N349 HydrophobicContact CG-CB 4.36Å |
| 272 | K | 90 | Very high | 92.8 | Very high | 133 Ų | 133 | 78 Ų | 78 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.7 | 179.6 | -71.7 | -178.3 | 178.6 | -175.5 | 0 | 110.4 | K276 E277 N349 | K272-K276 WeakPolarHBondContact CA-O 3.43Å; K272-E277 HydrophobicContact CD-CG 4.29Å; K272-E277 VanDerWaalsContact CE-CG 3.42Å; K272-E277 WeakPolarHBondContact CE-OE1 3.45Å; K272-E277 HydrophobicContact CG-CG 3.86Å; K272-E277 IonicContact NZ-OE1 3.84Å; K272-E277 PolarHBondContact NZ-OE1 3.06Å; K272-N349 PolarHBondContact O-OD1 3.05Å |
| 273 | T | 84.9 | Confident | 92.5 | Very high | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.012 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 129.2 | 171.1 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | Y271 G275 K276 L324 | Y271-T273 WeakPolarHBondContact CD2-OG1 3.26Å; Y271-T273 VanDerWaalsContact CE2-OG1 3.29Å; Y271-T273 WeakPolarHBondContact CE2-OG1 3.46Å; T273-G275 PolarHBondContact O-N 2.71Å; T273-K276 PolarHBondContact N-O 3.21Å; T273-K276 PolarHBondContact O-N 2.87Å; T273-L324 HydrophobicContact CG2-CD1 4.28Å; T273-L324 HydrophobicContact CG2-CD2 4.13Å; T273-L324 HydrophobicContact CG2-CG 4.22Å |
| 274 | D | 82.7 | Confident | 92.2 | Very high | 103 Ų | 103 | 76.7 Ų | 76.7 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38 | -176.5 | -55.5 | -41.5 | 0 | 0 | 0 | 113.1 | K276 T328 | D274-K276 PolarHBondContact O-N 3.33Å; D274-T328 WeakPolarHBondContact OD2-CG2 3.11Å; D274-T328 PolarHBondContact OD2-OG1 3.14Å |
| 275 | G | 84.5 | Confident | 91.7 | Very high | 78 Ų | 78 | 79.5 Ų | 79.5 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 0.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T273 | T273-G275 PolarHBondContact O-N 2.71Š|
| 276 | K | 88.9 | Confident | 91.7 | Very high | 149 Ų | 149 | 73.4 Ų | 73.4 | 65% | 0.648 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.3 | 177.6 | -63.1 | -175.6 | 179.9 | -174.8 | 0 | 110.9 | K272 T273 D274 | K272-K276 WeakPolarHBondContact CA-O 3.43Å; T273-K276 PolarHBondContact N-O 3.21Å; T273-K276 PolarHBondContact O-N 2.87Å; D274-K276 PolarHBondContact O-N 3.33Å |
| 277 | E | 93.1 | Very high | 91.7 | Very high | 148 Ų | 148 | 69.5 Ų | 69.5 | 69% | 0.692 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.5 | 168.1 | -73.2 | -179.4 | -177.8 | 0 | 0 | 110.1 | K272 | K272-E277 HydrophobicContact CD-CG 4.29Å; K272-E277 VanDerWaalsContact CE-CG 3.42Å; K272-E277 WeakPolarHBondContact CE-OE1 3.45Å; K272-E277 HydrophobicContact CG-CG 3.86Å; K272-E277 IonicContact NZ-OE1 3.84Å; K272-E277 PolarHBondContact NZ-OE1 3.06Å |
| 278 | K | 94.4 | Very high | 91.6 | Very high | 80 Ų | 80 | 68.4 Ų | 68.4 | 35% | 0.348 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157.2 | 178.8 | -66.1 | -179.2 | -175.8 | 171.4 | 0 | 108.6 | K270 Y271 | K270-K278 WeakPolarHBondContact CA-O 3.21Å; Y271-K278 HydrophobicContact CD1-CB 4.24Å; Y271-K278 HydrophobicContact CE1-CB 3.73Å; Y271-K278 HydrophobicContact CE2-CB 4.07Å; Y271-K278 HydrophobicContact CE2-CD 4.02Å; Y271-K278 PolarHBondContact N-O 3.43Å; Y271-K278 PolarHBondContact O-N 3.48Å |
| 279 | E | 95 | Very high | 91.5 | Very high | 121 Ų | 121 | 67 Ų | 67 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 145.7 | 175.9 | -54.2 | -171.6 | 155.5 | 0 | 0 | 108.7 | T268 Y269 K270 | T268-E279 HydrophobicContact CG2-CB 4.01Å; Y269-E279 CarbonylContact O-C 3.6Å; Y269-E279 WeakPolarHBondContact O-CA 3.05Å; K270-E279 HydrophobicContact CD-CG 4.36Å; K270-E279 WeakPolarHBondContact CD-OE1 3.37Å; K270-E279 WeakPolarHBondContact CE-OE1 3.05Å; K270-E279 HydrophobicContact CG-CG 4.04Å; K270-E279 IonicContact NZ-OE1 3.75Å; K270-E279 PolarHBondContact NZ-OE1 3.25Å |
| 280 | A | 95.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 69.1 Ų | 69.1 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T268 Y269 Y271 V346 | T268-A280 WeakPolarHBondContact CA-O 3.42Å; Y269-A280 PolarHBondContact N-O 3.25Å; Y269-A280 PolarHBondContact O-N 2.87Å; Y271-A280 HydrophobicContact CE1-CB 3.89Å; A280-V346 HydrophobicContact CB-CB 4.34Å; A280-V346 HydrophobicContact CB-CG1 3.59Å; A280-V346 HydrophobicContact CB-CG2 3.7Å |
| 281 | V | 94 | Very high | 91.2 | Very high | 78 Ų | 78 | 68.6 Ų | 68.6 | 47% | 0.473 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | D267 E283 | D267-V281 CarbonylContact O-C 3.52Å; D267-V281 WeakPolarHBondContact O-CA 3.48Å; V281-E283 HydrophobicContact CG1-CB 4.36Å; V281-E283 PolarHBondContact O-N 3.27Å |
| 282 | L | 95.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | trans | -87.8 | 102.9 | 176.8 | -56.5 | 179.8 | 0 | 0 | 0 | 108.8 | Y259 I264 D267 W289 L350 | Y259-L282 HydrophobicContact CE2-CD1 4.14Å; I264-L282 HydrophobicContact CD1-CD1 3.9Å; D267-L282 PolarHBondContact O-N 3.47Å; L282-W289 HydrophobicContact CB-CZ2 4.25Å; L282-W289 HydrophobicContact CD1-CH2 4.04Å; L282-W289 HydrophobicContact CD1-CZ2 4.21Å; L282-L350 HydrophobicContact CD1-CD2 4.15Å; L282-L350 HydrophobicContact CD2-CD2 4.04Å | ||
| 283 | E | 90.6 | Very high | 91.7 | Very high | 91 Ų | 91 | 61.3 Ų | 61.3 | 43% | 0.425 | 32% | 0.32 | S | S | . | . | trans | -138.3 | 159.5 | -170.1 | 61.4 | -176.1 | -171.5 | 0 | 0 | 113.5 | V281 D285 D286 | V281-E283 HydrophobicContact CG1-CB 4.36Å; V281-E283 PolarHBondContact O-N 3.27Å; E283-D285 HydrophobicContact CG-CB 4.32Å; E283-D285 PolarHBondContact O-N 2.94Å; E283-D286 WeakPolarHBondContact O-CB 3.32Å; E283-D286 PolarHBondContact O-N 2.63Å | ||
| 284 | E | 89.5 | Confident | 92.3 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.1 | -179 | -75.8 | -79.1 | 83.8 | 0 | 0 | 113.9 | K11 E144 S145 D286 V290 R293 | K11-E284 HydrophobicContact CD-CB 4.34Å; K11-E284 HydrophobicContact CD-CG 4.11Å; E144-E284 HydrophobicContact CB-CG 4.32Å; S145-E284 WeakPolarHBondContact CB-OE2 3.29Å; S145-E284 PolarHBondContact N-OE2 3.14Å; S145-E284 PolarHBondContact OG-OE2 2.92Å; E284-D286 PolarHBondContact O-N 3.12Å; E284-V290 VanDerWaalsContact O-CG2 3.28Å; E284-V290 WeakPolarHBondContact O-CG2 3.36Å; E284-V290 VanDerWaalsContact OE1-CG2 3.31Å; E284-V290 WeakPolarHBondContact OE1-CG2 3.16Å; E284-R293 IonicContact OE1-CZ 2.8Å; E284-R293 IonicContact OE1-NH1 2.69Å; E284-R293 PolarHBondContact OE1-NH1 2.83Å; E284-R293 IonicContact OE1-NH2 3.53Å; E284-R293 PolarHBondContact OE1-NH2 2.95Å; E284-R293 IonicContact OE2-NH2 2.76Å |
| 285 | D | 86.6 | Confident | 93 | Very high | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -4.9 | 175.8 | -73.4 | -0.5 | 0 | 0 | 0 | 112.6 | K50 E283 K343 | K50-D285 WeakPolarHBondContact CE-OD2 3.44Å; K50-D285 IonicContact NZ-OD2 2.74Å; K50-D285 PolarHBondContact NZ-OD2 2.71Å; E283-D285 HydrophobicContact CG-CB 4.32Å; E283-D285 PolarHBondContact O-N 2.94Å; D285-K343 PolarHBondContact O-NZ 2.94Å |
| 286 | D | 91.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | trans | -91.4 | 91.5 | 166.5 | -163.2 | -5.2 | 0 | 0 | 0 | 113.2 | E283 E284 L288 W289 V290 K343 H347 | E283-D286 WeakPolarHBondContact O-CB 3.32Å; E283-D286 PolarHBondContact O-N 2.63Å; E284-D286 PolarHBondContact O-N 3.12Å; D286-L288 PolarHBondContact O-N 2.81Å; D286-L288 PolarHBondContact OD1-N 2.86Å; D286-L288 VanDerWaalsContact OD1-N 3.08Å; D286-W289 HydrophobicContact CB-CB 3.77Å; D286-W289 WeakPolarHBondContact O-CA 3.02Å; D286-W289 VanDerWaalsContact O-CB 3.27Å; D286-W289 WeakPolarHBondContact O-CB 2.96Å; D286-W289 PolarHBondContact O-N 3.21Å; D286-V290 WeakPolarHBondContact O-CG2 3.44Å; D286-V290 PolarHBondContact O-N 3.29Å; D286-K343 VanDerWaalsContact OD1-CD 3.23Å; D286-K343 WeakPolarHBondContact OD1-CD 3.41Å; D286-K343 WeakPolarHBondContact OD1-CE 3.21Å; D286-K343 IonicContact OD1-NZ 2.99Å; D286-K343 PolarHBondContact OD1-NZ 2.83Å; D286-K343 WeakPolarHBondContact OD2-CG 3.36Å; D286-H347 IonicContact OD2-CD2 3.48Å; D286-H347 IonicContact OD2-CE1 2.75Å; D286-H347 IonicContact OD2-NE2 3.33Å; D286-H347 PolarHBondContact OD2-NE2 3.17Å | ||
| 287 | D | 90.6 | Very high | 94 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 60% | 0.599 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -48.5 | -34.6 | 174.8 | -56.3 | -51.5 | 0 | 0 | 0 | 113.7 | R291 | D287-R291 WeakPolarHBondContact O-CB 3.18Å; D287-R291 PolarHBondContact O-N 3.08Å; D287-R291 VanDerWaalsContact O-N 3.1Å |
| 288 | L | 91.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.9 | -46.3 | 177.2 | 178.8 | 54.5 | 0 | 0 | 0 | 110.4 | D286 R291 V292 L307 Q344 H347 | D286-L288 PolarHBondContact O-N 2.81Å; D286-L288 PolarHBondContact OD1-N 2.86Å; D286-L288 VanDerWaalsContact OD1-N 3.08Å; L288-R291 WeakPolarHBondContact O-CB 3.29Å; L288-R291 PolarHBondContact O-N 3.44Å; L288-V292 HydrophobicContact CD1-CG1 4Å; L288-V292 VanDerWaalsContact O-CG2 3.25Å; L288-V292 WeakPolarHBondContact O-CG2 3.37Å; L288-V292 PolarHBondContact O-N 2.97Å; L288-L307 HydrophobicContact CD1-CD1 3.62Å; L288-Q344 HydrophobicContact CD2-CB 4.34Å; L288-Q344 HydrophobicContact CD2-CG 3.6Å; L288-H347 HydrophobicContact CD2-CB 4.46Å |
| 289 | W | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.4 | -54.4 | 175 | 177.9 | -119.3 | 0 | 0 | 0 | 111 | F254 Q255 Y259 L282 D286 R291 V292 R293 H347 L350 | F254-W289 HydrophobicContact CD1-CE3 4.27Å; F254-W289 AromaticContact CD1-CZ3 3.77Å; F254-W289 HydrophobicContact CD1-CZ3 3.77Å; F254-W289 HydrophobicContact CE1-CE3 4.05Å; F254-W289 AromaticContact CE1-CZ3 3.68Å; F254-W289 HydrophobicContact CE1-CZ3 3.68Å; F254-W289 HydrophobicContact CG-CZ3 4.5Å; F254-W289 HydrophobicContact CZ-CZ3 4.34Å; Q255-W289 HydrophobicContact CB-CH2 4.11Å; Q255-W289 HydrophobicContact CB-CZ2 4.17Å; Q255-W289 HydrophobicContact CG-CH2 4.16Å; Q255-W289 HydrophobicContact CG-CZ2 3.83Å; Y259-W289 HydrophobicContact CE2-CZ2 4.31Å; L282-W289 HydrophobicContact CB-CZ2 4.25Å; L282-W289 HydrophobicContact CD1-CH2 4.04Å; L282-W289 HydrophobicContact CD1-CZ2 4.21Å; D286-W289 HydrophobicContact CB-CB 3.77Å; D286-W289 WeakPolarHBondContact O-CA 3.02Å; D286-W289 VanDerWaalsContact O-CB 3.27Å; D286-W289 WeakPolarHBondContact O-CB 2.96Å; D286-W289 PolarHBondContact O-N 3.21Å; W289-R291 PolarHBondContact O-N 3.13Å; W289-R291 VanDerWaalsContact O-N 3.15Å; W289-V292 PolarHBondContact O-N 2.86Å; W289-R293 HydrophobicContact CD2-CB 3.88Å; W289-R293 HydrophobicContact CE3-CB 4.08Å; W289-R293 HydrophobicContact CG-CB 4.48Å; W289-R293 HydrophobicContact CH2-CB 4.13Å; W289-R293 HydrophobicContact CZ2-CB 3.91Å; W289-R293 HydrophobicContact CZ3-CB 4.2Å; W289-R293 WeakPolarHBondContact O-CB 3.28Å; W289-R293 WeakPolarHBondContact O-CG 3.23Å; W289-R293 PolarHBondContact O-N 2.82Å; W289-H347 AromaticContact CE3-CE1 3.59Å; W289-H347 AromaticContact CE3-ND1 3.69Å; W289-L350 HydrophobicContact CH2-CD2 4.33Å; W289-L350 HydrophobicContact CZ3-CD2 3.73Å |
| 290 | V | 94.9 | Very high | 94.3 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 29% | 0.291 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.8 | -38.5 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | E284 D286 | E284-V290 VanDerWaalsContact O-CG2 3.28Å; E284-V290 WeakPolarHBondContact O-CG2 3.36Å; E284-V290 VanDerWaalsContact OE1-CG2 3.31Å; E284-V290 WeakPolarHBondContact OE1-CG2 3.16Å; D286-V290 WeakPolarHBondContact O-CG2 3.44Å; D286-V290 PolarHBondContact O-N 3.29Å |
| 291 | R | 93.5 | Very high | 94.2 | Very high | 122 Ų | 122 | 43.6 Ų | 43.6 | 46% | 0.46 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.6 | -36.2 | 179.6 | 177.8 | 174.8 | 170.9 | 168.6 | -2.4 | 113.8 | D287 L288 W289 R295 E303 | D287-R291 WeakPolarHBondContact O-CB 3.18Å; D287-R291 PolarHBondContact O-N 3.08Å; D287-R291 VanDerWaalsContact O-N 3.1Å; L288-R291 WeakPolarHBondContact O-CB 3.29Å; L288-R291 PolarHBondContact O-N 3.44Å; W289-R291 PolarHBondContact O-N 3.13Å; W289-R291 VanDerWaalsContact O-N 3.15Å; R291-R295 PolarHBondContact O-NE 2.95Å; R291-E303 IonicContact CZ-OE1 3.12Å; R291-E303 IonicContact NE-OE1 3.72Å; R291-E303 PolarHBondContact NE-OE1 2.9Å; R291-E303 IonicContact NH2-OE1 3.13Å; R291-E303 PolarHBondContact NH2-OE1 3.02Å |
| 292 | V | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -106.9 | -20.5 | -171.3 | -60.1 | 0 | 0 | 0 | 0 | 115.2 | F254 L288 W289 H294 R295 V300 | F254-V292 HydrophobicContact CD1-CB 4.33Å; F254-V292 HydrophobicContact CD1-CG2 3.65Å; F254-V292 HydrophobicContact CE1-CG2 3.74Å; L288-V292 HydrophobicContact CD1-CG1 4Å; L288-V292 VanDerWaalsContact O-CG2 3.25Å; L288-V292 WeakPolarHBondContact O-CG2 3.37Å; L288-V292 PolarHBondContact O-N 2.97Å; W289-V292 PolarHBondContact O-N 2.86Å; V292-H294 PolarHBondContact O-N 2.77Å; V292-H294 VanDerWaalsContact O-N 3.11Å; V292-R295 WeakPolarHBondContact O-CB 2.97Å; V292-R295 PolarHBondContact O-N 3.48Å; V292-V300 HydrophobicContact CB-CG1 4.29Å; V292-V300 HydrophobicContact CB-CG2 3.98Å; V292-V300 HydrophobicContact CG2-CG1 4.4Å |
| 293 | R | 97.2 | Very high | 94 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -31.5 | -170 | 71.3 | 172.4 | -179.7 | -155.2 | -18.3 | 114.7 | E144 F254 Q255 E284 W289 Y549 | E144-R293 IonicContact OE1-CZ 3.69Å; E144-R293 IonicContact OE1-NE 3.56Å; E144-R293 IonicContact OE1-NH1 3.67Å; E144-R293 PolarHBondContact OE1-NH1 2.68Å; E144-R293 IonicContact OE2-CZ 3.42Å; E144-R293 IonicContact OE2-NE 3.89Å; E144-R293 IonicContact OE2-NH1 2.75Å; E144-R293 IonicContact OE2-NH2 3.05Å; E144-R293 PolarHBondContact OE2-NH2 3.08Å; F254-R293 PolarHBondContact N-O 2.98Å; Q255-R293 HydrophobicContact CB-CB 4.04Å; Q255-R293 VanDerWaalsContact CB-O 3.24Å; Q255-R293 WeakPolarHBondContact CB-O 3.45Å; Q255-R293 PolarHBondContact N-O 3.02Å; E284-R293 IonicContact OE1-CZ 2.8Å; E284-R293 IonicContact OE1-NH1 2.69Å; E284-R293 PolarHBondContact OE1-NH1 2.83Å; E284-R293 IonicContact OE1-NH2 3.53Å; E284-R293 PolarHBondContact OE1-NH2 2.95Å; E284-R293 IonicContact OE2-NH2 2.76Å; W289-R293 HydrophobicContact CD2-CB 3.88Å; W289-R293 HydrophobicContact CE3-CB 4.08Å; W289-R293 HydrophobicContact CG-CB 4.48Å; W289-R293 HydrophobicContact CH2-CB 4.13Å; W289-R293 HydrophobicContact CZ2-CB 3.91Å; W289-R293 HydrophobicContact CZ3-CB 4.2Å; W289-R293 WeakPolarHBondContact O-CB 3.28Å; W289-R293 WeakPolarHBondContact O-CG 3.23Å; W289-R293 PolarHBondContact O-N 2.82Å; R293-Y549 PolarHBondContact NH2-OH 2.83Å |
| 294 | H | 97.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 2.1 | -179.9 | -63.8 | -40.8 | 0 | 0 | 0 | 113.4 | Q255 V292 R546 Y549 | Q255-H294 PolarHBondContact OE1-CE1 3.39Å; Q255-H294 PolarHBondContact OE1-ND1 3.31Å; V292-H294 PolarHBondContact O-N 2.77Å; V292-H294 VanDerWaalsContact O-N 3.11Å; H294-R546 HydrophobicContact CB-CG 3.96Å; H294-R546 WeakPolarHBondContact O-CD 3.48Å; H294-Y549 AromaticContact CD2-CD2 3.83Å; H294-Y549 AromaticContact CD2-CG 3.92Å; H294-Y549 AromaticContact CE1-CD2 3.8Å; H294-Y549 AromaticContact CE1-CE2 3.9Å; H294-Y549 AromaticContact NE2-CD2 3.19Å; H294-Y549 WeakPolarHBondContact NE2-CD2 3.43Å; H294-Y549 AromaticContact NE2-CE2 3.32Å; H294-Y549 VanDerWaalsContact NE2-CE2 3.32Å; H294-Y549 WeakPolarHBondContact NE2-CE2 3.36Å; H294-Y549 AromaticContact NE2-CG 3.7Å; H294-Y549 AromaticContact NE2-CZ 3.92Å |
| 295 | R | 97.5 | Very high | 93.7 | Very high | 109 Ų | 109 | 41.8 Ų | 41.8 | 41% | 0.411 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -90 | 151.9 | 179.6 | -61.7 | -174.9 | 175.2 | -125.6 | -15.6 | 110.7 | T253 F254 R291 V292 V300 E303 | T253-R295 WeakPolarHBondContact CA-O 3.35Å; F254-R295 PolarHBondContact N-O 3.35Å; R291-R295 PolarHBondContact O-NE 2.95Å; V292-R295 WeakPolarHBondContact O-CB 2.97Å; V292-R295 PolarHBondContact O-N 3.48Å; R295-V300 HydrophobicContact CB-CG2 3.85Å; R295-E303 WeakPolarHBondContact CD-OE2 3.43Å; R295-E303 IonicContact CZ-OE1 3.99Å; R295-E303 IonicContact CZ-OE2 3.86Å; R295-E303 IonicContact NE-OE2 3.92Å; R295-E303 PolarHBondContact NE-OE2 3.33Å; R295-E303 IonicContact NH1-OE1 3.33Å; R295-E303 IonicContact NH1-OE2 2.91Å; R295-E303 PolarHBondContact NH1-OE2 3Å |
| 296 | H | 98 | Very high | 93.7 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -62 | 140.8 | 172.8 | -172.4 | -93.4 | 0 | 0 | 0 | 111 | L252 A298 V299 V300 F469 S472 | L252-H296 WeakPolarHBondContact CB-NE2 3.23Å; L252-H296 WeakPolarHBondContact O-CA 3.17Å; H296-A298 WeakPolarHBondContact ND1-CB 3.37Å; H296-A298 PolarHBondContact ND1-N 3.25Å; H296-A298 PolarHBondContact O-N 2.93Å; H296-A298 VanDerWaalsContact O-N 3.12Å; H296-V299 HydrophobicContact CB-CG2 4.43Å; H296-V299 WeakPolarHBondContact O-CA 2.94Å; H296-V299 WeakPolarHBondContact O-CB 3.49Å; H296-V299 PolarHBondContact O-N 3.24Å; H296-V300 PolarHBondContact O-N 3.44Å; H296-V300 VanDerWaalsContact O-N 3.11Å; H296-F469 HydrophobicContact CB-CD2 4.1Å; H296-F469 HydrophobicContact CB-CE2 3.64Å; H296-F469 HydrophobicContact CB-CZ 4.16Å; H296-F469 AromaticContact CD2-CD2 3.77Å; H296-F469 AromaticContact CE1-CD1 3.64Å; H296-F469 AromaticContact CE1-CE1 3.95Å; H296-F469 AromaticContact CE1-CG 3.7Å; H296-F469 AromaticContact CG-CD2 3.64Å; H296-F469 AromaticContact CG-CE2 3.57Å; H296-F469 AromaticContact CG-CZ 3.96Å; H296-F469 AromaticContact ND1-CD1 3.79Å; H296-F469 AromaticContact ND1-CD2 3.81Å; H296-F469 AromaticContact ND1-CE1 3.65Å; H296-F469 AromaticContact ND1-CE2 3.68Å; H296-F469 AromaticContact ND1-CG 3.87Å; H296-F469 AromaticContact ND1-CZ 3.6Å; H296-F469 AromaticContact NE2-CG 3.8Å; H296-S472 PolarHBondContact NE2-OG 3.31Å |
| 297 | I | 97.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.4 | -35.3 | -174.2 | -172.1 | 59.4 | 0 | 0 | 0 | 113.1 | L252 F254 M257 V299 V300 L301 A351 M355 | L252-I297 HydrophobicContact CB-CG2 4.19Å; L252-I297 PolarHBondContact O-N 2.96Å; F254-I297 HydrophobicContact CD2-CD1 3.85Å; F254-I297 HydrophobicContact CE2-CD1 4.25Å; M257-I297 HydrophobicContact SD-CB 3.87Å; M257-I297 HydrophobicContact SD-CD1 4.46Å; M257-I297 HydrophobicContact SD-CG1 3.93Å; M257-I297 HydrophobicContact SD-CG2 3.99Å; I297-V299 VanDerWaalsContact C-N 3.3Å; I297-V299 PolarHBondContact O-N 3.16Å; I297-V300 HydrophobicContact CD1-CB 4.44Å; I297-V300 PolarHBondContact O-N 3.42Å; I297-L301 HydrophobicContact CD1-CG 4.37Å; I297-L301 HydrophobicContact CG1-CD1 4.19Å; I297-L301 HydrophobicContact CG1-CG 4.34Å; I297-L301 VanDerWaalsContact O-CG 3.3Å; I297-L301 WeakPolarHBondContact O-CG 3.1Å; I297-L301 PolarHBondContact O-N 3.26Å; I297-A351 HydrophobicContact CD1-CB 3.97Å; I297-M355 HydrophobicContact CG1-CG 4.1Å; I297-M355 HydrophobicContact CG1-SD 3.55Å; I297-M355 VanDerWaalsContact CG1-SD 3.55Å; I297-M355 HydrophobicContact CG2-SD 4.09Å |
| 298 | A | 95.3 | Very high | 92.5 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 31% | 0.314 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H296 E302 F469 | H296-A298 WeakPolarHBondContact ND1-CB 3.37Å; H296-A298 PolarHBondContact ND1-N 3.25Å; H296-A298 PolarHBondContact O-N 2.93Å; H296-A298 VanDerWaalsContact O-N 3.12Å; A298-E302 PolarHBondContact O-N 3.35Å; A298-F469 HydrophobicContact CB-CE1 3.82Å; A298-F469 HydrophobicContact CB-CZ 4.26Å |
| 299 | V | 96.2 | Very high | 91.8 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 32% | 0.315 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -70.2 | -41.8 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | H296 I297 L301 E302 E303 F469 | H296-V299 HydrophobicContact CB-CG2 4.43Å; H296-V299 WeakPolarHBondContact O-CA 2.94Å; H296-V299 WeakPolarHBondContact O-CB 3.49Å; H296-V299 PolarHBondContact O-N 3.24Å; I297-V299 VanDerWaalsContact C-N 3.3Å; I297-V299 PolarHBondContact O-N 3.16Å; V299-L301 PolarHBondContact O-N 3.23Å; V299-E302 PolarHBondContact O-N 3Å; V299-E302 VanDerWaalsContact O-N 3.16Å; V299-E303 VanDerWaalsContact O-CB 3.26Å; V299-E303 WeakPolarHBondContact O-CB 3.25Å; V299-E303 PolarHBondContact O-N 3.47Å; V299-F469 HydrophobicContact CG2-CZ 4.06Å |
| 300 | V | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | F254 V292 R295 H296 I297 E302 E303 I304 | F254-V300 HydrophobicContact CB-CG2 3.9Å; F254-V300 HydrophobicContact CD1-CG1 3.9Å; F254-V300 HydrophobicContact CD1-CG2 4.29Å; F254-V300 HydrophobicContact CD2-CG1 4.43Å; F254-V300 HydrophobicContact CE1-CG1 4Å; F254-V300 HydrophobicContact CG-CG1 4.12Å; F254-V300 HydrophobicContact CG-CG2 4.19Å; F254-V300 HydrophobicContact CZ-CG1 4.3Å; V292-V300 HydrophobicContact CB-CG1 4.29Å; V292-V300 HydrophobicContact CB-CG2 3.98Å; V292-V300 HydrophobicContact CG2-CG1 4.4Å; R295-V300 HydrophobicContact CB-CG2 3.85Å; H296-V300 PolarHBondContact O-N 3.44Å; H296-V300 VanDerWaalsContact O-N 3.11Å; I297-V300 HydrophobicContact CD1-CB 4.44Å; I297-V300 PolarHBondContact O-N 3.42Å; V300-E302 PolarHBondContact O-N 3.29Å; V300-E303 PolarHBondContact O-N 2.85Å; V300-I304 HydrophobicContact CG1-CD1 3.45Å; V300-I304 VanDerWaalsContact CG1-CD1 3.45Å; V300-I304 HydrophobicContact CG1-CG1 4.02Å; V300-I304 PolarHBondContact O-N 2.84Å |
| 301 | L | 93.9 | Very high | 89.8 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.2 | -26.6 | 177.1 | -71.9 | 167.1 | 0 | 0 | 0 | 113.1 | I297 V299 P305 A351 M355 | I297-L301 HydrophobicContact CD1-CG 4.37Å; I297-L301 HydrophobicContact CG1-CD1 4.19Å; I297-L301 HydrophobicContact CG1-CG 4.34Å; I297-L301 VanDerWaalsContact O-CG 3.3Å; I297-L301 WeakPolarHBondContact O-CG 3.1Å; I297-L301 PolarHBondContact O-N 3.26Å; V299-L301 PolarHBondContact O-N 3.23Å; L301-P305 WeakPolarHBondContact O-CD 3.32Å; L301-P305 VanDerWaalsContact O-CG 3.26Å; L301-P305 WeakPolarHBondContact O-CG 3.5Å; L301-A351 HydrophobicContact CD2-CB 3.95Å; L301-M355 HydrophobicContact CD1-CE 4.43Å; L301-M355 HydrophobicContact CD1-CG 3.69Å; L301-M355 HydrophobicContact CD1-SD 3.88Å; L301-M355 HydrophobicContact CD2-CG 4.23Å; L301-M355 HydrophobicContact CG-CG 4.44Å |
| 302 | E | 92.6 | Very high | 88.6 | Confident | 114 Ų | 114 | 42.1 Ų | 42.1 | 53% | 0.533 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -85.6 | -39.3 | 172.3 | -69.7 | -170.3 | -165.4 | 0 | 0 | 112.9 | A298 V299 V300 K306 | A298-E302 PolarHBondContact O-N 3.35Å; V299-E302 PolarHBondContact O-N 3Å; V299-E302 VanDerWaalsContact O-N 3.16Å; V300-E302 PolarHBondContact O-N 3.29Å; E302-K306 WeakPolarHBondContact O-CD 3.31Å; E302-K306 WeakPolarHBondContact O-CG 3.46Å; E302-K306 PolarHBondContact O-N 3.01Å; E302-K306 IonicContact OE2-NZ 2.79Å; E302-K306 PolarHBondContact OE2-NZ 3.22Å |
| 303 | E | 91 | Very high | 87.1 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74 | -42.4 | -170.3 | -173.5 | 164.9 | -178.4 | 0 | 0 | 112.4 | R291 R295 V299 V300 K306 L307 | R291-E303 IonicContact CZ-OE1 3.12Å; R291-E303 IonicContact NE-OE1 3.72Å; R291-E303 PolarHBondContact NE-OE1 2.9Å; R291-E303 IonicContact NH2-OE1 3.13Å; R291-E303 PolarHBondContact NH2-OE1 3.02Å; R295-E303 WeakPolarHBondContact CD-OE2 3.43Å; R295-E303 IonicContact CZ-OE1 3.99Å; R295-E303 IonicContact CZ-OE2 3.86Å; R295-E303 IonicContact NE-OE2 3.92Å; R295-E303 PolarHBondContact NE-OE2 3.33Å; R295-E303 IonicContact NH1-OE1 3.33Å; R295-E303 IonicContact NH1-OE2 2.91Å; R295-E303 PolarHBondContact NH1-OE2 3Å; V299-E303 VanDerWaalsContact O-CB 3.26Å; V299-E303 WeakPolarHBondContact O-CB 3.25Å; V299-E303 PolarHBondContact O-N 3.47Å; V300-E303 PolarHBondContact O-N 2.85Å; E303-K306 PolarHBondContact O-N 2.82Å; E303-K306 VanDerWaalsContact O-N 3.15Å; E303-L307 HydrophobicContact CG-CD1 4.06Å; E303-L307 HydrophobicContact CG-CG 4.41Å; E303-L307 WeakPolarHBondContact O-CG 3.19Å; E303-L307 PolarHBondContact O-N 3.03Å |
| 304 | I | 89.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 179.3 | -67.5 | 172.1 | 0 | 0 | 0 | 111.1 | V300 K306 L307 M308 H347 L348 | V300-I304 HydrophobicContact CG1-CD1 3.45Å; V300-I304 VanDerWaalsContact CG1-CD1 3.45Å; V300-I304 HydrophobicContact CG1-CG1 4.02Å; V300-I304 PolarHBondContact O-N 2.84Å; I304-K306 PolarHBondContact O-N 2.91Å; I304-L307 PolarHBondContact O-N 3.24Å; I304-M308 PolarHBondContact O-N 2.58Å; I304-H347 HydrophobicContact CD1-CB 3.7Å; I304-L348 HydrophobicContact CG2-CB 4.27Å; I304-L348 HydrophobicContact CG2-CD1 4.42Å |
| 305 | P | 85.5 | Confident | 83.1 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.6 | -41.3 | 171.1 | -33.7 | 41.3 | 0 | 0 | 0 | 115.4 | L301 M308 K309 T322 | L301-P305 WeakPolarHBondContact O-CD 3.32Å; L301-P305 VanDerWaalsContact O-CG 3.26Å; L301-P305 WeakPolarHBondContact O-CG 3.5Å; P305-M308 WeakPolarHBondContact O-CB 3.36Å; P305-M308 PolarHBondContact O-N 3.5Å; P305-K309 PolarHBondContact O-N 3.16Å; P305-K309 VanDerWaalsContact O-N 3.11Å; P305-T322 WeakPolarHBondContact CB-OG1 3.45Å |
| 306 | K | 87.2 | Confident | 80.8 | Confident | 111 Ų | 111 | 61.7 Ų | 61.7 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | -179.9 | -75.1 | 169.2 | -168.2 | 168.6 | 0 | 110.9 | E302 E303 I304 M308 K309 E310 | E302-K306 WeakPolarHBondContact O-CD 3.31Å; E302-K306 WeakPolarHBondContact O-CG 3.46Å; E302-K306 PolarHBondContact O-N 3.01Å; E302-K306 IonicContact OE2-NZ 2.79Å; E302-K306 PolarHBondContact OE2-NZ 3.22Å; E303-K306 PolarHBondContact O-N 2.82Å; E303-K306 VanDerWaalsContact O-N 3.15Å; I304-K306 PolarHBondContact O-N 2.91Å; K306-M308 PolarHBondContact O-N 3.18Å; K306-K309 WeakPolarHBondContact O-CB 3.38Å; K306-K309 PolarHBondContact O-N 3.15Å; K306-K309 VanDerWaalsContact O-N 3.1Å; K306-E310 PolarHBondContact O-N 3Å; K306-E310 VanDerWaalsContact O-N 3.15Å |
| 307 | L | 82.1 | Confident | 78.6 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -32.3 | 176.5 | -67.7 | 170.8 | 0 | 0 | 0 | 112.9 | L288 E303 I304 E310 I311 | L288-L307 HydrophobicContact CD1-CD1 3.62Å; E303-L307 HydrophobicContact CG-CD1 4.06Å; E303-L307 HydrophobicContact CG-CG 4.41Å; E303-L307 WeakPolarHBondContact O-CG 3.19Å; E303-L307 PolarHBondContact O-N 3.03Å; I304-L307 PolarHBondContact O-N 3.24Å; L307-E310 PolarHBondContact O-N 3.03Å; L307-I311 WeakPolarHBondContact O-CG1 3.37Å; L307-I311 PolarHBondContact O-N 2.86Å |
| 308 | M | 73.9 | Confident | 76.5 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 174.7 | -169.3 | -165.9 | -45.4 | 0 | 0 | 112.3 | I304 P305 K306 E310 I311 S312 T322 L327 | I304-M308 PolarHBondContact O-N 2.58Å; P305-M308 WeakPolarHBondContact O-CB 3.36Å; P305-M308 PolarHBondContact O-N 3.5Å; K306-M308 PolarHBondContact O-N 3.18Å; M308-E310 VanDerWaalsContact C-N 3.28Å; M308-E310 PolarHBondContact O-N 3.34Å; M308-I311 PolarHBondContact O-N 3Å; M308-S312 PolarHBondContact O-N 3.11Å; M308-S312 VanDerWaalsContact O-N 3.16Å; M308-S312 PolarHBondContact O-OG 3.04Å; M308-T322 HydrophobicContact CB-CG2 4.25Å; M308-T322 HydrophobicContact CE-CG2 3.96Å; M308-T322 HydrophobicContact CG-CG2 4.2Å; M308-T322 VanDerWaalsContact SD-CB 3.53Å; M308-T322 HydrophobicContact SD-CG2 3.31Å; M308-T322 WeakPolarHBondContact SD-CG2 3.21Å; M308-L327 HydrophobicContact CE-CD1 3.5Å; M308-L327 VanDerWaalsContact CE-CD1 3.5Å; M308-L327 HydrophobicContact CE-CD2 3.45Å; M308-L327 VanDerWaalsContact CE-CD2 3.45Å; M308-L327 HydrophobicContact CE-CG 3.55Å; M308-L327 HydrophobicContact CG-CD2 3.81Å; M308-L327 HydrophobicContact SD-CD1 4.2Å; M308-L327 HydrophobicContact SD-CD2 3.22Å; M308-L327 WeakPolarHBondContact SD-CD2 3.25Å; M308-L327 HydrophobicContact SD-CG 3.53Å; M308-L327 VanDerWaalsContact SD-CG 3.53Å |
| 309 | K | 77.9 | Confident | 74.2 | Confident | 118 Ų | 118 | 75.8 Ų | 75.8 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -34.2 | 174.4 | -71.8 | -177.5 | -179.7 | -179.2 | 0 | 112 | P305 K306 S312 S313 T322 | P305-K309 PolarHBondContact O-N 3.16Å; P305-K309 VanDerWaalsContact O-N 3.11Å; K306-K309 WeakPolarHBondContact O-CB 3.38Å; K306-K309 PolarHBondContact O-N 3.15Å; K306-K309 VanDerWaalsContact O-N 3.1Å; K309-S312 VanDerWaalsContact CA-OG 3.31Å; K309-S312 WeakPolarHBondContact CA-OG 3.28Å; K309-S312 PolarHBondContact O-N 3.04Å; K309-S312 PolarHBondContact O-OG 2.84Å; K309-S313 VanDerWaalsContact O-CB 3.24Å; K309-S313 WeakPolarHBondContact O-CB 3.45Å; K309-S313 PolarHBondContact O-N 2.67Å; K309-S313 PolarHBondContact O-OG 3.35Å; K309-T322 HydrophobicContact CG-CG2 4.23Å |
| 310 | E | 77.3 | Confident | 72 | Confident | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175.4 | -68.7 | 171.8 | -168.3 | 0 | 0 | 112.5 | K306 L307 M308 S312 S313 T314 | K306-E310 PolarHBondContact O-N 3Å; K306-E310 VanDerWaalsContact O-N 3.15Å; L307-E310 PolarHBondContact O-N 3.03Å; M308-E310 VanDerWaalsContact C-N 3.28Å; M308-E310 PolarHBondContact O-N 3.34Å; E310-S312 VanDerWaalsContact C-N 3.3Å; E310-S312 PolarHBondContact O-N 3.18Å; E310-S313 PolarHBondContact O-OG 2.86Å; E310-T314 PolarHBondContact O-N 3.23Å; E310-T314 PolarHBondContact O-OG1 3.47Å |
| 311 | I | 71.2 | Confident | 70 | Confident | 23 Ų | 23 | 84.8 Ų | 84.8 | 12% | 0.118 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 175.6 | -64.1 | 173.3 | 0 | 0 | 0 | 110.9 | L307 M308 F337 Q340 Q344 | L307-I311 WeakPolarHBondContact O-CG1 3.37Å; L307-I311 PolarHBondContact O-N 2.86Å; M308-I311 PolarHBondContact O-N 3Å; I311-F337 HydrophobicContact CG2-CB 4.19Å; I311-F337 HydrophobicContact CG2-CD1 3.97Å; I311-F337 HydrophobicContact CG2-CD2 4.42Å; I311-F337 HydrophobicContact CG2-CE1 4.47Å; I311-F337 HydrophobicContact CG2-CG 3.94Å; I311-Q340 HydrophobicContact CD1-CB 4.17Å; I311-Q344 VanDerWaalsContact CD1-NE2 3.28Å |
| 312 | S | 67.1 | Low | 68.5 | Low | 14 Ų | 14 | 83.8 Ų | 83.8 | 10% | 0.098 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -81.9 | -33.4 | -178.1 | 37.3 | 0 | 0 | 0 | 0 | 113.7 | M308 K309 E310 T314 K315 | M308-S312 PolarHBondContact O-N 3.11Å; M308-S312 VanDerWaalsContact O-N 3.16Å; M308-S312 PolarHBondContact O-OG 3.04Å; K309-S312 VanDerWaalsContact CA-OG 3.31Å; K309-S312 WeakPolarHBondContact CA-OG 3.28Å; K309-S312 PolarHBondContact O-N 3.04Å; K309-S312 PolarHBondContact O-OG 2.84Å; E310-S312 VanDerWaalsContact C-N 3.3Å; E310-S312 PolarHBondContact O-N 3.18Å; S312-T314 VanDerWaalsContact C-N 3.28Å; S312-T314 PolarHBondContact O-N 3.2Å; S312-K315 CarbonylContact O-C 3.58Å; S312-K315 VanDerWaalsContact O-C 3.29Å; S312-K315 PolarHBondContact O-N 3.17Å; S312-K315 VanDerWaalsContact O-N 3.15Å |
| 313 | S | 64 | Low | 67.4 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.9 | -25.8 | 176.3 | 68.6 | 0 | 0 | 0 | 0 | 113 | K309 E310 K315 K316 | K309-S313 VanDerWaalsContact O-CB 3.24Å; K309-S313 WeakPolarHBondContact O-CB 3.45Å; K309-S313 PolarHBondContact O-N 2.67Å; K309-S313 PolarHBondContact O-OG 3.35Å; E310-S313 PolarHBondContact O-OG 2.86Å; S313-K315 PolarHBondContact O-N 2.93Å; S313-K316 PolarHBondContact O-N 2.78Å |
| 314 | T | 60 | Low | 66.5 | Low | 100 Ų | 100 | 81.6 Ų | 81.6 | 61% | 0.613 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -19.8 | 170.8 | -56.1 | 0 | 0 | 0 | 0 | 112 | E310 S312 | E310-T314 PolarHBondContact O-N 3.23Å; E310-T314 PolarHBondContact O-OG1 3.47Å; S312-T314 VanDerWaalsContact C-N 3.28Å; S312-T314 PolarHBondContact O-N 3.2Å |
| 315 | K | 50.9 | Low | 65.9 | Low | 159 Ų | 159 | 84.9 Ų | 84.9 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.9 | 77.2 | 164.4 | -67.2 | -168.2 | 178 | -176.1 | 0 | 112.7 | S312 S313 A317 | S312-K315 CarbonylContact O-C 3.58Å; S312-K315 VanDerWaalsContact O-C 3.29Å; S312-K315 PolarHBondContact O-N 3.17Å; S312-K315 VanDerWaalsContact O-N 3.15Å; S313-K315 PolarHBondContact O-N 2.93Å; K315-A317 VanDerWaalsContact O-CB 3.26Å; K315-A317 WeakPolarHBondContact O-CB 3.36Å; K315-A317 PolarHBondContact O-N 3.01Å |
| 316 | K | 50.3 | Low | 65.4 | Low | 213 Ų | 213 | 85.6 Ų | 85.6 | 93% | 0.926 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 23.2 | 49.7 | 160.9 | -76.3 | -169 | 175.9 | -177.3 | 0 | 116.8 | S313 | S313-K316 PolarHBondContact O-N 2.78Š|
| 317 | A | 51.7 | Low | 64.5 | Low | 46 Ų | 46 | 80.3 Ų | 80.3 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | trans | -137.2 | 110.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K315 | K315-A317 VanDerWaalsContact O-CB 3.26Å; K315-A317 WeakPolarHBondContact O-CB 3.36Å; K315-A317 PolarHBondContact O-N 3.01Å | ||
| 318 | T | 52.3 | Low | 64.1 | Low | 112 Ų | 112 | 80.7 Ų | 80.7 | 69% | 0.687 | 44% | 0.437 | S | S | * | . | trans | 85.5 | 92.1 | 162.3 | -8.3 | 0 | 0 | 0 | 0 | 116.6 | G320 | T318-G320 PolarHBondContact O-N 3.32Š| ||
| 319 | E | 47.1 | Very low | 64.2 | Low | 208 Ų | 208 | 86.2 Ų | 86.2 | 97% | 0.972 | 46% | 0.463 | S | S | * | . | trans | -73.6 | 103.1 | 152.9 | -71.2 | 179.5 | 172.5 | 0 | 0 | 108.3 | ||||
| 320 | G | 50 | Low | 63.9 | Low | 42 Ų | 42 | 81.5 Ų | 81.5 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -164 | 155.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T318 T322 | T318-G320 PolarHBondContact O-N 3.32Å; G320-T322 PolarHBondContact O-N 3.46Å |
| 321 | K | 54.4 | Low | 63.5 | Low | 200 Ų | 200 | 77.9 Ų | 77.9 | 87% | 0.87 | 43% | 0.427 | S | S | * | . | trans | -57.1 | 129.4 | 169.5 | -76.9 | -177.7 | 177.8 | 179.2 | 0 | 108.4 | S323 | K321-S323 PolarHBondContact O-N 3.13Š| ||
| 322 | T | 63.1 | Low | 63.7 | Low | 39 Ų | 39 | 85.1 Ų | 85.1 | 24% | 0.239 | 46% | 0.457 | C | S | . | . | trans | -71.1 | 95.3 | 177.4 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | P305 M308 K309 G320 | P305-T322 WeakPolarHBondContact CB-OG1 3.45Å; M308-T322 HydrophobicContact CB-CG2 4.25Å; M308-T322 HydrophobicContact CE-CG2 3.96Å; M308-T322 HydrophobicContact CG-CG2 4.2Å; M308-T322 VanDerWaalsContact SD-CB 3.53Å; M308-T322 HydrophobicContact SD-CG2 3.31Å; M308-T322 WeakPolarHBondContact SD-CG2 3.21Å; K309-T322 HydrophobicContact CG-CG2 4.23Å; G320-T322 PolarHBondContact O-N 3.46Å | ||
| 323 | S | 68.6 | Low | 64.1 | Low | 48 Ų | 48 | 92.2 Ų | 92.2 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | trans | -98.6 | 157.7 | 172.1 | 65.7 | 0 | 0 | 0 | 0 | 111 | K321 S325 A326 L327 | K321-S323 PolarHBondContact O-N 3.13Å; S323-S325 PolarHBondContact O-N 3.01Å; S323-S325 PolarHBondContact OG-OG 3.33Å; S323-A326 WeakPolarHBondContact O-CB 3.33Å; S323-A326 PolarHBondContact O-N 2.58Å; S323-A326 WeakPolarHBondContact OG-CB 3.36Å; S323-A326 PolarHBondContact OG-N 3.22Å; S323-A326 VanDerWaalsContact OG-N 3.15Å; S323-L327 PolarHBondContact O-N 2.87Å | ||
| 324 | L | 73.6 | Confident | 64.7 | Low | 34 Ų | 34 | 89.8 Ų | 89.8 | 18% | 0.178 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -56.2 | -35.7 | 173.7 | -172.9 | 63 | 0 | 0 | 0 | 112.6 | T273 L327 T328 V345 N349 | T273-L324 HydrophobicContact CG2-CD1 4.28Å; T273-L324 HydrophobicContact CG2-CD2 4.13Å; T273-L324 HydrophobicContact CG2-CG 4.22Å; L324-L327 HydrophobicContact CD1-CD1 4.44Å; L324-L327 WeakPolarHBondContact O-CB 3.41Å; L324-L327 PolarHBondContact O-N 2.95Å; L324-T328 PolarHBondContact O-N 3.09Å; L324-T328 VanDerWaalsContact O-N 3.13Å; L324-T328 PolarHBondContact O-OG1 3.33Å; L324-V345 HydrophobicContact CD1-CB 4.48Å; L324-V345 HydrophobicContact CD1-CG1 3.84Å; L324-V345 HydrophobicContact CD1-CG2 4.32Å; L324-N349 VanDerWaalsContact CD1-ND2 3.28Å; L324-N349 WeakPolarHBondContact CD1-ND2 3.43Å |
| 325 | S | 75.7 | Confident | 65.5 | Low | 70 Ų | 70 | 89.1 Ų | 89.1 | 49% | 0.49 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 175 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | S323 L327 T328 Q329 | S323-S325 PolarHBondContact O-N 3.01Å; S323-S325 PolarHBondContact OG-OG 3.33Å; S325-L327 VanDerWaalsContact C-N 3.3Å; S325-L327 PolarHBondContact O-N 2.67Å; S325-T328 PolarHBondContact O-N 2.69Å; S325-Q329 WeakPolarHBondContact O-CG 3.26Å; S325-Q329 PolarHBondContact O-N 2.69Å; S325-Q329 VanDerWaalsContact O-N 3.16Å |
| 326 | A | 74.5 | Confident | 66.8 | Low | 39 Ų | 39 | 90 Ų | 90 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | S323 Q329 L330 | S323-A326 WeakPolarHBondContact O-CB 3.33Å; S323-A326 PolarHBondContact O-N 2.58Å; S323-A326 WeakPolarHBondContact OG-CB 3.36Å; S323-A326 PolarHBondContact OG-N 3.22Å; S323-A326 VanDerWaalsContact OG-N 3.15Å; A326-Q329 PolarHBondContact O-N 3.09Å; A326-L330 WeakPolarHBondContact O-CB 3.28Å; A326-L330 PolarHBondContact O-N 3.18Å |
| 327 | L | 68.8 | Low | 68.3 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.9 | -51 | 174.7 | -85.5 | 172.6 | 0 | 0 | 0 | 112.6 | M308 S323 L324 S325 Q329 L330 M331 I341 V345 L348 | M308-L327 HydrophobicContact CE-CD1 3.5Å; M308-L327 VanDerWaalsContact CE-CD1 3.5Å; M308-L327 HydrophobicContact CE-CD2 3.45Å; M308-L327 VanDerWaalsContact CE-CD2 3.45Å; M308-L327 HydrophobicContact CE-CG 3.55Å; M308-L327 HydrophobicContact CG-CD2 3.81Å; M308-L327 HydrophobicContact SD-CD1 4.2Å; M308-L327 HydrophobicContact SD-CD2 3.22Å; M308-L327 WeakPolarHBondContact SD-CD2 3.25Å; M308-L327 HydrophobicContact SD-CG 3.53Å; M308-L327 VanDerWaalsContact SD-CG 3.53Å; S323-L327 PolarHBondContact O-N 2.87Å; L324-L327 HydrophobicContact CD1-CD1 4.44Å; L324-L327 WeakPolarHBondContact O-CB 3.41Å; L324-L327 PolarHBondContact O-N 2.95Å; S325-L327 VanDerWaalsContact C-N 3.3Å; S325-L327 PolarHBondContact O-N 2.67Å; L327-Q329 PolarHBondContact O-N 3.22Å; L327-L330 WeakPolarHBondContact O-CB 3.44Å; L327-L330 PolarHBondContact O-N 2.87Å; L327-L330 VanDerWaalsContact O-N 3.11Å; L327-M331 WeakPolarHBondContact O-CG 3.43Å; L327-M331 PolarHBondContact O-N 3.17Å; L327-I341 HydrophobicContact CD2-CG2 3.72Å; L327-V345 HydrophobicContact CB-CG2 3.83Å; L327-V345 HydrophobicContact CD1-CG2 3.81Å; L327-V345 HydrophobicContact CD2-CG2 4.38Å; L327-V345 HydrophobicContact CG-CG2 4.27Å; L327-L348 HydrophobicContact CD1-CD2 3.71Å |
| 328 | T | 74.3 | Confident | 69.7 | Low | 28 Ų | 28 | 88.2 Ų | 88.2 | 17% | 0.172 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | D274 L324 S325 | D274-T328 WeakPolarHBondContact OD2-CG2 3.11Å; D274-T328 PolarHBondContact OD2-OG1 3.14Å; L324-T328 PolarHBondContact O-N 3.09Å; L324-T328 VanDerWaalsContact O-N 3.13Å; L324-T328 PolarHBondContact O-OG1 3.33Å; S325-T328 PolarHBondContact O-N 2.69Å |
| 329 | Q | 76.1 | Confident | 71.3 | Confident | 120 Ų | 120 | 90.2 Ų | 90.2 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69 | -39.8 | 174.5 | -70.6 | -179.6 | 1.9 | 0 | 0 | 112.5 | S325 A326 L327 M331 K332 K333 | S325-Q329 WeakPolarHBondContact O-CG 3.26Å; S325-Q329 PolarHBondContact O-N 2.69Å; S325-Q329 VanDerWaalsContact O-N 3.16Å; A326-Q329 PolarHBondContact O-N 3.09Å; L327-Q329 PolarHBondContact O-N 3.22Å; Q329-M331 VanDerWaalsContact C-N 3.31Å; Q329-M331 PolarHBondContact O-N 2.98Å; Q329-K332 WeakPolarHBondContact O-CB 3.1Å; Q329-K332 PolarHBondContact O-N 2.85Å; Q329-K332 VanDerWaalsContact O-N 3.16Å; Q329-K333 PolarHBondContact O-N 3.45Å |
| 330 | L | 71.6 | Confident | 73 | Confident | 20 Ų | 20 | 85 Ų | 85 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 176.7 | -160.3 | 72.8 | 0 | 0 | 0 | 111.3 | A326 L327 K332 K333 M334 I341 | A326-L330 WeakPolarHBondContact O-CB 3.28Å; A326-L330 PolarHBondContact O-N 3.18Å; L327-L330 WeakPolarHBondContact O-CB 3.44Å; L327-L330 PolarHBondContact O-N 2.87Å; L327-L330 VanDerWaalsContact O-N 3.11Å; L330-K332 VanDerWaalsContact C-N 3.27Å; L330-K332 PolarHBondContact O-N 2.55Å; L330-K333 PolarHBondContact O-N 3.26Å; L330-K333 VanDerWaalsContact O-N 3.11Å; L330-M334 HydrophobicContact CD1-CE 3.32Å; L330-M334 HydrophobicContact CD2-CE 3.73Å; L330-M334 HydrophobicContact CG-CE 3.36Å; L330-M334 PolarHBondContact O-N 3.18Å; L330-I341 HydrophobicContact CB-CD1 4.41Å; L330-I341 HydrophobicContact CD2-CD1 4.03Å; L330-I341 HydrophobicContact CD2-CG1 4.48Å; L330-I341 HydrophobicContact CG-CD1 4.1Å |
| 331 | M | 68.4 | Low | 74.6 | Confident | 37 Ų | 37 | 83 Ų | 83 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.3 | -38.6 | 174.3 | -68.7 | -177.7 | 70.4 | 0 | 0 | 112.9 | L327 Q329 R338 I341 S342 | L327-M331 WeakPolarHBondContact O-CG 3.43Å; L327-M331 PolarHBondContact O-N 3.17Å; Q329-M331 VanDerWaalsContact C-N 3.31Å; Q329-M331 PolarHBondContact O-N 2.98Å; M331-R338 HydrophobicContact CE-CG 3.59Å; M331-I341 HydrophobicContact CB-CG2 4.5Å; M331-I341 HydrophobicContact CG-CB 3.76Å; M331-I341 HydrophobicContact CG-CD1 4.37Å; M331-I341 HydrophobicContact CG-CG2 3.23Å; M331-I341 HydrophobicContact SD-CG2 4.1Å; M331-S342 WeakPolarHBondContact CE-OG 3.38Å |
| 332 | K | 75.9 | Confident | 76.2 | Confident | 175 Ų | 175 | 75.6 Ų | 75.6 | 76% | 0.761 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.3 | -34.7 | 177.8 | -68.1 | -179.9 | 179.4 | 179.3 | 0 | 111.9 | Q329 L330 | Q329-K332 WeakPolarHBondContact O-CB 3.1Å; Q329-K332 PolarHBondContact O-N 2.85Å; Q329-K332 VanDerWaalsContact O-N 3.16Å; L330-K332 VanDerWaalsContact C-N 3.27Å; L330-K332 PolarHBondContact O-N 2.55Å |
| 333 | K | 75.6 | Confident | 77.5 | Confident | 163 Ų | 163 | 75.8 Ų | 75.8 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -82.6 | -27.5 | -178.7 | -68.7 | -176 | 179.3 | 179.9 | 0 | 113.7 | Q329 L330 | Q329-K333 PolarHBondContact O-N 3.45Å; L330-K333 PolarHBondContact O-N 3.26Å; L330-K333 VanDerWaalsContact O-N 3.11Å |
| 334 | M | 76.3 | Confident | 78.5 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | trans | -127.2 | 77.6 | -175 | -70.8 | -164.4 | -71.8 | 0 | 0 | 112.2 | L330 H336 F337 R338 | L330-M334 HydrophobicContact CD1-CE 3.32Å; L330-M334 HydrophobicContact CD2-CE 3.73Å; L330-M334 HydrophobicContact CG-CE 3.36Å; L330-M334 PolarHBondContact O-N 3.18Å; M334-H336 VanDerWaalsContact C-N 3.26Å; M334-H336 PolarHBondContact O-N 3.21Å; M334-F337 HydrophobicContact CB-CB 4.49Å; M334-F337 HydrophobicContact CB-CD2 4.31Å; M334-F337 PolarHBondContact O-N 3.24Å; M334-F337 VanDerWaalsContact O-N 3.17Å; M334-F337 HydrophobicContact SD-CD2 4.08Å; M334-R338 PolarHBondContact O-N 2.79Å | ||
| 335 | P | 76.5 | Confident | 79.3 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -62.8 | -30.7 | -177.5 | 24.1 | -33.5 | 0 | 0 | 0 | 113.1 | F337 R338 | P335-F337 VanDerWaalsContact C-N 3.27Å; P335-F337 PolarHBondContact O-N 3.24Å; P335-R338 WeakPolarHBondContact O-CB 3.37Å; P335-R338 PolarHBondContact O-N 2.99Å |
| 336 | H | 78.8 | Confident | 80.2 | Confident | 179 Ų | 179 | 69.8 Ų | 69.8 | 83% | 0.829 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -63.3 | -30.7 | 177.6 | -60.8 | -68.5 | 0 | 0 | 0 | 113.3 | M334 | M334-H336 VanDerWaalsContact C-N 3.26Å; M334-H336 PolarHBondContact O-N 3.21Å |
| 337 | F | 80 | Confident | 81.2 | Confident | 65 Ų | 65 | 68 Ų | 68 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -96.7 | 5 | 178.9 | -68.7 | -73 | 0 | 0 | 0 | 113.1 | I311 M334 P335 K339 Q340 I341 | I311-F337 HydrophobicContact CG2-CB 4.19Å; I311-F337 HydrophobicContact CG2-CD1 3.97Å; I311-F337 HydrophobicContact CG2-CD2 4.42Å; I311-F337 HydrophobicContact CG2-CE1 4.47Å; I311-F337 HydrophobicContact CG2-CG 3.94Å; M334-F337 HydrophobicContact CB-CB 4.49Å; M334-F337 HydrophobicContact CB-CD2 4.31Å; M334-F337 PolarHBondContact O-N 3.24Å; M334-F337 VanDerWaalsContact O-N 3.17Å; M334-F337 HydrophobicContact SD-CD2 4.08Å; P335-F337 VanDerWaalsContact C-N 3.27Å; P335-F337 PolarHBondContact O-N 3.24Å; F337-K339 VanDerWaalsContact C-N 3.28Å; F337-K339 PolarHBondContact O-N 2.97Å; F337-K339 VanDerWaalsContact O-N 3.15Å; F337-Q340 PolarHBondContact O-N 3.19Å; F337-I341 HydrophobicContact CB-CD1 3.93Å; F337-I341 HydrophobicContact CB-CG1 4.22Å; F337-I341 WeakPolarHBondContact O-CG1 2.88Å; F337-I341 PolarHBondContact O-N 2.96Å |
| 338 | R | 82.2 | Confident | 82.4 | Confident | 156 Ų | 156 | 68.5 Ų | 68.5 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -53.2 | -41.6 | -173.1 | -172.6 | -179.4 | 179.5 | -172 | -0.5 | 113.1 | M331 M334 P335 I341 S342 | M331-R338 HydrophobicContact CE-CG 3.59Å; M334-R338 PolarHBondContact O-N 2.79Å; P335-R338 WeakPolarHBondContact O-CB 3.37Å; P335-R338 PolarHBondContact O-N 2.99Å; R338-I341 PolarHBondContact O-N 2.81Å; R338-S342 WeakPolarHBondContact O-CB 3.27Å; R338-S342 PolarHBondContact O-N 3.01Å; R338-S342 PolarHBondContact O-OG 3.38Å |
| 339 | K | 85 | Confident | 83.3 | Confident | 154 Ų | 154 | 67.6 Ų | 67.6 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 179 | -171.9 | -179.4 | -179.4 | -176.3 | 0 | 112.1 | F337 K343 | F337-K339 VanDerWaalsContact C-N 3.28Å; F337-K339 PolarHBondContact O-N 2.97Å; F337-K339 VanDerWaalsContact O-N 3.15Å; K339-K343 WeakPolarHBondContact O-CG 3.07Å; K339-K343 PolarHBondContact O-N 3.01Å |
| 340 | Q | 83.8 | Confident | 84.4 | Confident | 99 Ų | 99 | 61.9 Ų | 61.9 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 178.4 | -69 | 179.8 | -6.1 | 0 | 0 | 111.3 | I311 F337 S342 K343 Q344 | I311-Q340 HydrophobicContact CD1-CB 4.17Å; F337-Q340 PolarHBondContact O-N 3.19Å; Q340-S342 PolarHBondContact O-N 2.72Å; Q340-K343 PolarHBondContact O-N 3.33Å; Q340-Q344 PolarHBondContact O-N 2.78Å |
| 341 | I | 84.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.1 | -59 | 167.5 | 0 | 0 | 0 | 110.6 | L327 L330 M331 F337 R338 K343 Q344 V345 | L327-I341 HydrophobicContact CD2-CG2 3.72Å; L330-I341 HydrophobicContact CB-CD1 4.41Å; L330-I341 HydrophobicContact CD2-CD1 4.03Å; L330-I341 HydrophobicContact CD2-CG1 4.48Å; L330-I341 HydrophobicContact CG-CD1 4.1Å; M331-I341 HydrophobicContact CB-CG2 4.5Å; M331-I341 HydrophobicContact CG-CB 3.76Å; M331-I341 HydrophobicContact CG-CD1 4.37Å; M331-I341 HydrophobicContact CG-CG2 3.23Å; M331-I341 HydrophobicContact SD-CG2 4.1Å; F337-I341 HydrophobicContact CB-CD1 3.93Å; F337-I341 HydrophobicContact CB-CG1 4.22Å; F337-I341 WeakPolarHBondContact O-CG1 2.88Å; F337-I341 PolarHBondContact O-N 2.96Å; R338-I341 PolarHBondContact O-N 2.81Å; I341-K343 VanDerWaalsContact C-N 3.34Å; I341-K343 PolarHBondContact O-N 3.12Å; I341-Q344 PolarHBondContact O-N 3.11Å; I341-V345 WeakPolarHBondContact O-CG2 3.49Å; I341-V345 PolarHBondContact O-N 2.92Å |
| 342 | S | 88.3 | Confident | 86.8 | Confident | 44 Ų | 44 | 63 Ų | 63 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 174.1 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | M331 R338 Q340 V345 V346 | M331-S342 WeakPolarHBondContact CE-OG 3.38Å; R338-S342 WeakPolarHBondContact O-CB 3.27Å; R338-S342 PolarHBondContact O-N 3.01Å; R338-S342 PolarHBondContact O-OG 3.38Å; Q340-S342 PolarHBondContact O-N 2.72Å; S342-V345 WeakPolarHBondContact O-CB 3.24Å; S342-V345 PolarHBondContact O-N 2.97Å; S342-V346 WeakPolarHBondContact O-CG2 3.4Å; S342-V346 PolarHBondContact O-N 3.48Å; S342-V346 VanDerWaalsContact O-N 3.09Å |
| 343 | K | 90 | Very high | 87.8 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 18% | 0.183 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.8 | -72.2 | 171.3 | 153.6 | -159.4 | 0 | 111.5 | D285 D286 K339 Q340 I341 V345 V346 H347 | D285-K343 PolarHBondContact O-NZ 2.94Å; D286-K343 VanDerWaalsContact OD1-CD 3.23Å; D286-K343 WeakPolarHBondContact OD1-CD 3.41Å; D286-K343 WeakPolarHBondContact OD1-CE 3.21Å; D286-K343 IonicContact OD1-NZ 2.99Å; D286-K343 PolarHBondContact OD1-NZ 2.83Å; D286-K343 WeakPolarHBondContact OD2-CG 3.36Å; K339-K343 WeakPolarHBondContact O-CG 3.07Å; K339-K343 PolarHBondContact O-N 3.01Å; Q340-K343 PolarHBondContact O-N 3.33Å; I341-K343 VanDerWaalsContact C-N 3.34Å; I341-K343 PolarHBondContact O-N 3.12Å; K343-V345 VanDerWaalsContact C-N 3.34Å; K343-V345 PolarHBondContact O-N 2.85Å; K343-V346 WeakPolarHBondContact O-CB 3.47Å; K343-V346 PolarHBondContact O-N 2.7Å; K343-H347 PolarHBondContact O-CD2 2.75Å; K343-H347 PolarHBondContact O-N 2.84Å; K343-H347 VanDerWaalsContact O-N 3.07Å |
| 344 | Q | 89.7 | Confident | 88.9 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 175 | -74.8 | 179.9 | -13.9 | 0 | 0 | 112.8 | L288 I311 Q340 I341 V346 H347 L348 | L288-Q344 HydrophobicContact CD2-CB 4.34Å; L288-Q344 HydrophobicContact CD2-CG 3.6Å; I311-Q344 VanDerWaalsContact CD1-NE2 3.28Å; Q340-Q344 PolarHBondContact O-N 2.78Å; I341-Q344 PolarHBondContact O-N 3.11Å; Q344-V346 VanDerWaalsContact C-N 3.34Å; Q344-V346 PolarHBondContact O-N 2.63Å; Q344-H347 PolarHBondContact O-N 2.88Å; Q344-L348 VanDerWaalsContact O-CB 3.3Å; Q344-L348 WeakPolarHBondContact O-CB 3.1Å; Q344-L348 PolarHBondContact O-N 3.4Å |
| 345 | V | 90.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.5 | -47.8 | 174.6 | 164.3 | 0 | 0 | 0 | 0 | 110.5 | Y271 L324 L327 I341 S342 K343 L348 N349 | Y271-V345 HydrophobicContact CE2-CG1 4.31Å; L324-V345 HydrophobicContact CD1-CB 4.48Å; L324-V345 HydrophobicContact CD1-CG1 3.84Å; L324-V345 HydrophobicContact CD1-CG2 4.32Å; L327-V345 HydrophobicContact CB-CG2 3.83Å; L327-V345 HydrophobicContact CD1-CG2 3.81Å; L327-V345 HydrophobicContact CD2-CG2 4.38Å; L327-V345 HydrophobicContact CG-CG2 4.27Å; I341-V345 WeakPolarHBondContact O-CG2 3.49Å; I341-V345 PolarHBondContact O-N 2.92Å; S342-V345 WeakPolarHBondContact O-CB 3.24Å; S342-V345 PolarHBondContact O-N 2.97Å; K343-V345 VanDerWaalsContact C-N 3.34Å; K343-V345 PolarHBondContact O-N 2.85Å; V345-L348 PolarHBondContact O-N 3.49Å; V345-N349 PolarHBondContact O-N 2.88Å; V345-N349 PolarHBondContact O-ND2 2.99Å |
| 346 | V | 94.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.6 | -54.5 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | Y269 Y271 A280 S342 K343 Q344 L348 N349 L350 | Y269-V346 HydrophobicContact CD1-CG1 4.17Å; Y271-V346 HydrophobicContact CE1-CG2 3.95Å; Y271-V346 WeakPolarHBondContact OH-CG2 3.44Å; A280-V346 HydrophobicContact CB-CB 4.34Å; A280-V346 HydrophobicContact CB-CG1 3.59Å; A280-V346 HydrophobicContact CB-CG2 3.7Å; S342-V346 WeakPolarHBondContact O-CG2 3.4Å; S342-V346 PolarHBondContact O-N 3.48Å; S342-V346 VanDerWaalsContact O-N 3.09Å; K343-V346 WeakPolarHBondContact O-CB 3.47Å; K343-V346 PolarHBondContact O-N 2.7Å; Q344-V346 VanDerWaalsContact C-N 3.34Å; Q344-V346 PolarHBondContact O-N 2.63Å; V346-L348 VanDerWaalsContact C-N 3.32Å; V346-L348 PolarHBondContact O-N 3.28Å; V346-N349 PolarHBondContact O-N 3.33Å; V346-L350 WeakPolarHBondContact O-CB 2.83Å; V346-L350 PolarHBondContact O-N 2.68Å |
| 347 | H | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.9 | -29.5 | -175.1 | -65.2 | -53.8 | 0 | 0 | 0 | 113.5 | F254 D286 L288 W289 I304 K343 Q344 A351 | F254-H347 HydrophobicContact CE1-CB 4.45Å; D286-H347 IonicContact OD2-CD2 3.48Å; D286-H347 IonicContact OD2-CE1 2.75Å; D286-H347 IonicContact OD2-NE2 3.33Å; D286-H347 PolarHBondContact OD2-NE2 3.17Å; L288-H347 HydrophobicContact CD2-CB 4.46Å; W289-H347 AromaticContact CE3-CE1 3.59Å; W289-H347 AromaticContact CE3-ND1 3.69Å; I304-H347 HydrophobicContact CD1-CB 3.7Å; K343-H347 PolarHBondContact O-CD2 2.75Å; K343-H347 PolarHBondContact O-N 2.84Å; K343-H347 VanDerWaalsContact O-N 3.07Å; Q344-H347 PolarHBondContact O-N 2.88Å; H347-A351 WeakPolarHBondContact O-CB 3.45Å; H347-A351 PolarHBondContact O-N 2.94Å |
| 348 | L | 93.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -46.1 | 172.9 | -174.1 | 65.5 | 0 | 0 | 0 | 111.4 | I304 L327 Q344 V345 V346 L350 A351 E352 | I304-L348 HydrophobicContact CG2-CB 4.27Å; I304-L348 HydrophobicContact CG2-CD1 4.42Å; L327-L348 HydrophobicContact CD1-CD2 3.71Å; Q344-L348 VanDerWaalsContact O-CB 3.3Å; Q344-L348 WeakPolarHBondContact O-CB 3.1Å; Q344-L348 PolarHBondContact O-N 3.4Å; V345-L348 PolarHBondContact O-N 3.49Å; V346-L348 VanDerWaalsContact C-N 3.32Å; V346-L348 PolarHBondContact O-N 3.28Å; L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.37Å; L348-A351 PolarHBondContact O-N 3.06Å; L348-E352 WeakPolarHBondContact O-CB 3.44Å; L348-E352 WeakPolarHBondContact O-CG 3.15Å; L348-E352 PolarHBondContact O-N 3.3Å |
| 349 | N | 95.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 174.7 | -78.2 | -92.5 | 0 | 0 | 0 | 110.6 | Y269 Y271 K272 L324 V345 V346 A351 E352 D353 | Y269-N349 HydrophobicContact CE1-CB 4.45Å; Y269-N349 PolarHBondContact OH-O 2.91Å; Y271-N349 HydrophobicContact CD2-CB 3.95Å; Y271-N349 HydrophobicContact CG-CB 4.36Å; K272-N349 PolarHBondContact O-OD1 3.05Å; L324-N349 VanDerWaalsContact CD1-ND2 3.28Å; L324-N349 WeakPolarHBondContact CD1-ND2 3.43Å; V345-N349 PolarHBondContact O-N 2.88Å; V345-N349 PolarHBondContact O-ND2 2.99Å; V346-N349 PolarHBondContact O-N 3.33Å; N349-A351 VanDerWaalsContact C-N 3.34Å; N349-A351 PolarHBondContact O-N 3.41Å; N349-E352 PolarHBondContact O-N 3.01Å; N349-D353 WeakPolarHBondContact O-CB 3.39Å; N349-D353 PolarHBondContact O-N 2.88Å |
| 350 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 178.2 | -175.1 | 65.2 | 0 | 0 | 0 | 111.5 | F254 A258 L262 I264 Y269 L282 W289 V346 L348 D353 C354 | F254-L350 HydrophobicContact CE1-CD2 4.16Å; F254-L350 HydrophobicContact CE2-CB 4.26Å; F254-L350 HydrophobicContact CE2-CD2 3.97Å; F254-L350 HydrophobicContact CE2-CG 3.79Å; F254-L350 HydrophobicContact CZ-CB 3.93Å; F254-L350 HydrophobicContact CZ-CD2 3.55Å; F254-L350 HydrophobicContact CZ-CG 3.72Å; A258-L350 HydrophobicContact CB-CD1 4.11Å; A258-L350 HydrophobicContact CB-CD2 4.42Å; A258-L350 HydrophobicContact CB-CG 4.37Å; L262-L350 HydrophobicContact CD1-CD1 3.48Å; L262-L350 VanDerWaalsContact CD1-CD1 3.48Å; I264-L350 HydrophobicContact CD1-CD1 4.37Å; Y269-L350 HydrophobicContact CD1-CB 4.22Å; Y269-L350 HydrophobicContact CD1-CD1 3.89Å; Y269-L350 HydrophobicContact CD2-CD1 3.66Å; Y269-L350 HydrophobicContact CE1-CB 3.68Å; Y269-L350 HydrophobicContact CE1-CD1 3.86Å; Y269-L350 HydrophobicContact CE1-CG 4.36Å; Y269-L350 HydrophobicContact CE2-CD1 3.67Å; Y269-L350 HydrophobicContact CG-CD1 3.78Å; Y269-L350 WeakPolarHBondContact OH-CA 3.4Å; Y269-L350 PolarHBondContact OH-N 2.74Å; L282-L350 HydrophobicContact CD1-CD2 4.15Å; L282-L350 HydrophobicContact CD2-CD2 4.04Å; W289-L350 HydrophobicContact CH2-CD2 4.33Å; W289-L350 HydrophobicContact CZ3-CD2 3.73Å; V346-L350 WeakPolarHBondContact O-CB 2.83Å; V346-L350 PolarHBondContact O-N 2.68Å; L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.37Å; L350-D353 PolarHBondContact O-N 3.03Å; L350-C354 PolarHBondContact O-N 2.79Å; L350-C354 PolarHBondContact O-SG 3.39Å |
| 351 | A | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F254 I297 L301 H347 L348 N349 C354 M355 | F254-A351 HydrophobicContact CE2-CB 3.92Å; F254-A351 HydrophobicContact CZ-CB 4.18Å; I297-A351 HydrophobicContact CD1-CB 3.97Å; L301-A351 HydrophobicContact CD2-CB 3.95Å; H347-A351 WeakPolarHBondContact O-CB 3.45Å; H347-A351 PolarHBondContact O-N 2.94Å; L348-A351 PolarHBondContact O-N 3.06Å; N349-A351 VanDerWaalsContact C-N 3.34Å; N349-A351 PolarHBondContact O-N 3.41Å; A351-C354 PolarHBondContact O-N 3.4Å; A351-M355 WeakPolarHBondContact O-CB 3.39Å; A351-M355 VanDerWaalsContact O-CG 3.3Å; A351-M355 WeakPolarHBondContact O-CG 3.41Å; A351-M355 PolarHBondContact O-N 2.87Å |
| 352 | E | 95.2 | Very high | 93.5 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 176.5 | -75.3 | 179.2 | -179.8 | 0 | 0 | 111.7 | L348 N349 M355 N356 | L348-E352 WeakPolarHBondContact O-CB 3.44Å; L348-E352 WeakPolarHBondContact O-CG 3.15Å; L348-E352 PolarHBondContact O-N 3.3Å; N349-E352 PolarHBondContact O-N 3.01Å; E352-M355 PolarHBondContact O-N 2.61Å; E352-N356 WeakPolarHBondContact O-CB 3.3Å; E352-N356 PolarHBondContact O-N 3.3Å; E352-N356 PolarHBondContact O-ND2 3.33Å; E352-N356 VanDerWaalsContact O-ND2 3.16Å |
| 353 | D | 96.7 | Very high | 93.7 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.5 | -77.1 | -15 | 0 | 0 | 0 | 112 | L262 Y269 N349 L350 M355 N356 K357 | L262-D353 HydrophobicContact CD1-CB 4.01Å; L262-D353 HydrophobicContact CD2-CB 3.91Å; Y269-D353 PolarHBondContact OH-OD2 3.3Å; N349-D353 WeakPolarHBondContact O-CB 3.39Å; N349-D353 PolarHBondContact O-N 2.88Å; L350-D353 PolarHBondContact O-N 3.03Å; D353-M355 VanDerWaalsContact C-N 3.33Å; D353-M355 PolarHBondContact O-N 3Å; D353-N356 PolarHBondContact O-N 2.96Å; D353-K357 PolarHBondContact O-N 2.62Å; D353-K357 VanDerWaalsContact O-N 3.11Å |
| 354 | C | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.6 | -48.5 | 171.4 | -75.6 | 0 | 0 | 0 | 0 | 111.2 | M257 A258 L350 A351 N356 K357 F358 | M257-C354 HydrophobicContact CE-CB 3.92Å; M257-C354 WeakPolarHBondContact CE-O 3.1Å; M257-C354 HydrophobicContact CG-CB 4.21Å; M257-C354 HydrophobicContact SD-CB 3.94Å; A258-C354 VanDerWaalsContact CA-SG 3.59Å; L350-C354 PolarHBondContact O-N 2.79Å; L350-C354 PolarHBondContact O-SG 3.39Å; A351-C354 PolarHBondContact O-N 3.4Å; C354-N356 PolarHBondContact O-N 2.87Å; C354-K357 PolarHBondContact O-N 3.45Å; C354-F358 VanDerWaalsContact O-CB 3.31Å; C354-F358 WeakPolarHBondContact O-CB 3.16Å; C354-F358 PolarHBondContact O-N 2.8Å |
| 355 | M | 96.8 | Very high | 93.9 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -33.7 | -178.8 | -73 | -52.9 | -57.9 | 0 | 0 | 113.5 | M257 I297 L301 A351 E352 D353 F358 K359 | M257-M355 HydrophobicContact CE-SD 4.4Å; I297-M355 HydrophobicContact CG1-CG 4.1Å; I297-M355 HydrophobicContact CG1-SD 3.55Å; I297-M355 VanDerWaalsContact CG1-SD 3.55Å; I297-M355 HydrophobicContact CG2-SD 4.09Å; L301-M355 HydrophobicContact CD1-CE 4.43Å; L301-M355 HydrophobicContact CD1-CG 3.69Å; L301-M355 HydrophobicContact CD1-SD 3.88Å; L301-M355 HydrophobicContact CD2-CG 4.23Å; L301-M355 HydrophobicContact CG-CG 4.44Å; A351-M355 WeakPolarHBondContact O-CB 3.39Å; A351-M355 VanDerWaalsContact O-CG 3.3Å; A351-M355 WeakPolarHBondContact O-CG 3.41Å; A351-M355 PolarHBondContact O-N 2.87Å; E352-M355 PolarHBondContact O-N 2.61Å; D353-M355 VanDerWaalsContact C-N 3.33Å; D353-M355 PolarHBondContact O-N 3Å; M355-F358 HydrophobicContact CE-CD1 3.72Å; M355-F358 HydrophobicContact CE-CE1 4.27Å; M355-F358 PolarHBondContact O-N 3.46Å; M355-F358 HydrophobicContact SD-CD1 4.39Å; M355-K359 HydrophobicContact CE-CG 4.35Å; M355-K359 WeakPolarHBondContact O-CB 3.43Å; M355-K359 VanDerWaalsContact O-CG 3.31Å; M355-K359 WeakPolarHBondContact O-CG 3.46Å; M355-K359 PolarHBondContact O-N 2.79Å |
| 356 | N | 95.8 | Very high | 94.2 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64 | -47.8 | 175.6 | -71.7 | -28.8 | 0 | 0 | 0 | 110.4 | E352 D353 C354 F358 L360 | E352-N356 WeakPolarHBondContact O-CB 3.3Å; E352-N356 PolarHBondContact O-N 3.3Å; E352-N356 PolarHBondContact O-ND2 3.33Å; E352-N356 VanDerWaalsContact O-ND2 3.16Å; D353-N356 PolarHBondContact O-N 2.96Å; C354-N356 PolarHBondContact O-N 2.87Å; N356-F358 VanDerWaalsContact C-N 3.34Å; N356-F358 PolarHBondContact O-N 3.21Å; N356-L360 VanDerWaalsContact O-CD1 3.31Å; N356-L360 WeakPolarHBondContact O-CD1 3.44Å; N356-L360 WeakPolarHBondContact O-CG 3.19Å; N356-L360 PolarHBondContact O-N 2.62Å |
| 357 | K | 94.3 | Very high | 94.2 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61 | -44 | 173.8 | -72.1 | -69.8 | -170 | 169.6 | 0 | 111.9 | L261 L262 D353 C354 L360 | L261-K357 HydrophobicContact CB-CB 4.28Å; L261-K357 HydrophobicContact CD1-CB 4.24Å; L262-K357 HydrophobicContact CD2-CG 4.17Å; D353-K357 PolarHBondContact O-N 2.62Å; D353-K357 VanDerWaalsContact O-N 3.11Å; C354-K357 PolarHBondContact O-N 3.45Å; K357-L360 PolarHBondContact O-N 3.24Å |
| 358 | F | 95.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 7% | 0.066 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -59.7 | -53 | -178.8 | 174.3 | -101.4 | 0 | 0 | 0 | 113.1 | L252 M257 C354 M355 N356 L360 I362 E363 L471 | L252-F358 HydrophobicContact CD1-CE2 3.87Å; L252-F358 HydrophobicContact CD1-CZ 4.18Å; L252-F358 HydrophobicContact CD2-CD2 3.79Å; L252-F358 HydrophobicContact CD2-CE2 3.69Å; L252-F358 HydrophobicContact CG-CE2 4.46Å; M257-F358 HydrophobicContact CE-CB 3.48Å; M257-F358 VanDerWaalsContact CE-CB 3.48Å; M257-F358 HydrophobicContact CE-CD2 4.1Å; M257-F358 HydrophobicContact CE-CG 3.92Å; C354-F358 VanDerWaalsContact O-CB 3.31Å; C354-F358 WeakPolarHBondContact O-CB 3.16Å; C354-F358 PolarHBondContact O-N 2.8Å; M355-F358 HydrophobicContact CE-CD1 3.72Å; M355-F358 HydrophobicContact CE-CE1 4.27Å; M355-F358 PolarHBondContact O-N 3.46Å; M355-F358 HydrophobicContact SD-CD1 4.39Å; N356-F358 VanDerWaalsContact C-N 3.34Å; N356-F358 PolarHBondContact O-N 3.21Å; F358-L360 VanDerWaalsContact C-N 3.31Å; F358-L360 PolarHBondContact O-N 3.46Å; F358-I362 HydrophobicContact CD2-CB 4.25Å; F358-I362 HydrophobicContact CD2-CG2 4.24Å; F358-I362 PolarHBondContact O-N 3.36Å; F358-E363 HydrophobicContact CD1-CB 4.29Å; F358-E363 HydrophobicContact CE1-CB 3.77Å; F358-E363 HydrophobicContact CE1-CG 3.86Å; F358-E363 HydrophobicContact CE2-CB 4.06Å; F358-E363 HydrophobicContact CZ-CB 3.65Å; F358-E363 HydrophobicContact CZ-CG 3.7Å; F358-E363 PolarHBondContact O-N 2.95Å; F358-L471 HydrophobicContact CZ-CD1 3.81Å |
| 359 | K | 94.3 | Very high | 94.5 | Very high | 135 Ų | 135 | 53 Ų | 53 | 59% | 0.587 | 25% | 0.251 | S | S | * | . | I | π-helix | trans | -67 | -30.3 | -176.7 | -72.6 | 175.9 | 179.2 | 176.3 | 0 | 113.6 | M355 | M355-K359 HydrophobicContact CE-CG 4.35Å; M355-K359 WeakPolarHBondContact O-CB 3.43Å; M355-K359 VanDerWaalsContact O-CG 3.31Å; M355-K359 WeakPolarHBondContact O-CG 3.46Å; M355-K359 PolarHBondContact O-N 2.79Å |
| 360 | L | 89.2 | Confident | 94.6 | Very high | 131 Ų | 131 | 52.7 Ų | 52.7 | 69% | 0.686 | 25% | 0.25 | S | C | * | . | I | π-helix | trans | -65.2 | -54.8 | -178.3 | -76.9 | 167.6 | 0 | 0 | 0 | 110.7 | N356 K357 F358 | N356-L360 VanDerWaalsContact O-CD1 3.31Å; N356-L360 WeakPolarHBondContact O-CD1 3.44Å; N356-L360 WeakPolarHBondContact O-CG 3.19Å; N356-L360 PolarHBondContact O-N 2.62Å; K357-L360 PolarHBondContact O-N 3.24Å; F358-L360 VanDerWaalsContact C-N 3.31Å; F358-L360 PolarHBondContact O-N 3.46Å |
| 361 | N | 85.4 | Confident | 94.5 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -136.5 | -25.1 | -169.6 | -69.2 | -20.3 | 0 | 0 | 0 | 114.8 | N398 H399 | N361-N398 PolarHBondContact ND2-O 3.31Å; N361-N398 WeakPolarHBondContact OD1-CB 3.38Å; N361-H399 PolarHBondContact O-CE1 2.96Å |
| 362 | I | 92.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -88.9 | -26.2 | -166.7 | -52.4 | -59.4 | 0 | 0 | 0 | 113 | H250 L261 F358 K364 L365 C366 | H250-I362 HydrophobicContact CB-CG2 4.37Å; L261-I362 HydrophobicContact CD2-CG1 4.11Å; F358-I362 HydrophobicContact CD2-CB 4.25Å; F358-I362 HydrophobicContact CD2-CG2 4.24Å; F358-I362 PolarHBondContact O-N 3.36Å; I362-K364 PolarHBondContact O-N 3.46Å; I362-L365 HydrophobicContact CD1-CD2 4.23Å; I362-L365 CarbonylContact O-C 3.36Å; I362-L365 WeakPolarHBondContact O-CA 3.27Å; I362-L365 WeakPolarHBondContact O-CB 3.49Å; I362-L365 PolarHBondContact O-N 2.92Å; I362-C366 VanDerWaalsContact CG2-SG 3.58Å; I362-C366 PolarHBondContact O-N 3.5Å |
| 363 | E | 92.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 50.1 Ų | 50.1 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.4 | -48.1 | -176.9 | -179.8 | 174.4 | -167.8 | 0 | 0 | 113.5 | F358 L365 K367 L471 | F358-E363 HydrophobicContact CD1-CB 4.29Å; F358-E363 HydrophobicContact CE1-CB 3.77Å; F358-E363 HydrophobicContact CE1-CG 3.86Å; F358-E363 HydrophobicContact CE2-CB 4.06Å; F358-E363 HydrophobicContact CZ-CB 3.65Å; F358-E363 HydrophobicContact CZ-CG 3.7Å; F358-E363 PolarHBondContact O-N 2.95Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-K367 PolarHBondContact O-N 3.39Å; E363-L471 HydrophobicContact CG-CD1 4.15Å |
| 364 | K | 90 | Very high | 94.5 | Very high | 169 Ų | 169 | 49.3 Ų | 49.3 | 74% | 0.735 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -68 | -36.3 | 177.3 | -67.6 | -178.1 | -178.3 | 176.5 | 0 | 112.1 | I362 K367 T368 | I362-K364 PolarHBondContact O-N 3.46Å; K364-K367 PolarHBondContact O-N 2.84Å; K364-T368 PolarHBondContact O-N 3.24Å |
| 365 | L | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -49 | 177 | 175.6 | 59.5 | 0 | 0 | 0 | 110.5 | I362 E363 K367 T368 E369 V393 D403 A407 | I362-L365 HydrophobicContact CD1-CD2 4.23Å; I362-L365 CarbonylContact O-C 3.36Å; I362-L365 WeakPolarHBondContact O-CA 3.27Å; I362-L365 WeakPolarHBondContact O-CB 3.49Å; I362-L365 PolarHBondContact O-N 2.92Å; E363-L365 VanDerWaalsContact C-N 3.34Å; L365-K367 PolarHBondContact O-N 3.17Å; L365-K367 VanDerWaalsContact O-N 3.17Å; L365-T368 WeakPolarHBondContact O-CB 3.2Å; L365-T368 PolarHBondContact O-N 2.86Å; L365-E369 HydrophobicContact CD1-CG 3.89Å; L365-E369 HydrophobicContact CG-CG 4.01Å; L365-E369 WeakPolarHBondContact CG-OE1 3.46Å; L365-E369 WeakPolarHBondContact O-CG 3.49Å; L365-E369 PolarHBondContact O-N 3.17Å; L365-V393 HydrophobicContact CD1-CB 4.43Å; L365-V393 HydrophobicContact CD1-CG1 3.57Å; L365-V393 HydrophobicContact CD1-CG2 3.95Å; L365-D403 HydrophobicContact CD2-CB 3.79Å; L365-A407 HydrophobicContact CD1-CB 4.26Å |
| 366 | C | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.3 | -41.6 | 177.9 | -75.7 | 0 | 0 | 0 | 0 | 112.3 | I362 E369 Q370 L471 | I362-C366 VanDerWaalsContact CG2-SG 3.58Å; I362-C366 PolarHBondContact O-N 3.5Å; C366-E369 PolarHBondContact O-N 3.34Å; C366-Q370 VanDerWaalsContact O-CG 3.29Å; C366-Q370 WeakPolarHBondContact O-CG 3.43Å; C366-Q370 PolarHBondContact O-N 3.12Å; C366-L471 HydrophobicContact CB-CB 4.45Å |
| 367 | K | 94.8 | Very high | 94.1 | Very high | 112 Ų | 112 | 48.8 Ų | 48.8 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.9 | -54.5 | 176.6 | -175.3 | -179.5 | 177.2 | 177 | 0 | 111 | E363 K364 L365 E369 Q370 D371 L471 | E363-K367 PolarHBondContact O-N 3.39Å; K364-K367 PolarHBondContact O-N 2.84Å; L365-K367 PolarHBondContact O-N 3.17Å; L365-K367 VanDerWaalsContact O-N 3.17Å; K367-E369 VanDerWaalsContact C-N 3.31Å; K367-E369 PolarHBondContact O-N 3.1Å; K367-Q370 PolarHBondContact O-N 2.83Å; K367-D371 VanDerWaalsContact O-CG 3.22Å; K367-D371 PolarHBondContact O-N 3.02Å; K367-D371 VanDerWaalsContact O-N 3.11Å; K367-L471 HydrophobicContact CB-CD2 3.74Å; K367-L471 HydrophobicContact CG-CD2 4.36Å |
| 368 | T | 95.8 | Very high | 94 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58 | -43 | 176.9 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | K364 L365 D371 L372 V389 V393 | K364-T368 PolarHBondContact O-N 3.24Å; L365-T368 WeakPolarHBondContact O-CB 3.2Å; L365-T368 PolarHBondContact O-N 2.86Å; T368-D371 PolarHBondContact O-N 3.03Å; T368-L372 HydrophobicContact CG2-CD1 3.64Å; T368-L372 HydrophobicContact CG2-CG 4.15Å; T368-L372 WeakPolarHBondContact O-CB 3.2Å; T368-L372 VanDerWaalsContact O-CG 3.23Å; T368-L372 WeakPolarHBondContact O-CG 3.34Å; T368-L372 PolarHBondContact O-N 3.45Å; T368-V389 HydrophobicContact CG2-CG1 4.01Å; T368-V389 WeakPolarHBondContact CG2-O 3.39Å; T368-V389 PolarHBondContact OG1-O 3.42Å; T368-V393 HydrophobicContact CG2-CG2 3.58Å |
| 369 | E | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 179.6 | -68.6 | -173.3 | 168.8 | 0 | 0 | 112.7 | L249 H250 L365 C366 K367 L372 A373 L410 | L249-E369 HydrophobicContact CD1-CB 4.14Å; H250-E369 WeakPolarHBondContact CB-OE2 3.23Å; H250-E369 IonicContact CE1-OE1 3.29Å; H250-E369 IonicContact CG-OE1 2.71Å; H250-E369 IonicContact CG-OE2 3.16Å; H250-E369 PolarHBondContact N-OE2 3.25Å; H250-E369 VanDerWaalsContact ND1-CD 3.27Å; H250-E369 IonicContact ND1-OE1 4Å; H250-E369 PolarHBondContact ND1-OE1 2.97Å; H250-E369 IonicContact ND1-OE2 2.68Å; H250-E369 PolarHBondContact ND1-OE2 3.46Å; L365-E369 HydrophobicContact CD1-CG 3.89Å; L365-E369 HydrophobicContact CG-CG 4.01Å; L365-E369 WeakPolarHBondContact CG-OE1 3.46Å; L365-E369 WeakPolarHBondContact O-CG 3.49Å; L365-E369 PolarHBondContact O-N 3.17Å; C366-E369 PolarHBondContact O-N 3.34Å; K367-E369 VanDerWaalsContact C-N 3.31Å; K367-E369 PolarHBondContact O-N 3.1Å; E369-L372 PolarHBondContact O-N 3Å; E369-A373 WeakPolarHBondContact O-CB 3.49Å; E369-A373 PolarHBondContact O-N 3.37Å; E369-L410 HydrophobicContact CB-CD1 3.61Å; E369-L410 HydrophobicContact CG-CD1 3.44Å; E369-L410 VanDerWaalsContact CG-CD1 3.44Å |
| 370 | Q | 96.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.7 | -64.4 | -55.8 | -59.7 | 0 | 0 | 111.2 | C366 K367 L372 A373 L374 | C366-Q370 VanDerWaalsContact O-CG 3.29Å; C366-Q370 WeakPolarHBondContact O-CG 3.43Å; C366-Q370 PolarHBondContact O-N 3.12Å; K367-Q370 PolarHBondContact O-N 2.83Å; Q370-L372 PolarHBondContact O-N 3.42Å; Q370-A373 PolarHBondContact O-N 2.82Å; Q370-L374 WeakPolarHBondContact O-CB 3.39Å; Q370-L374 PolarHBondContact O-N 2.92Å |
| 371 | D | 96.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | -179.6 | -64.1 | -7.9 | 0 | 0 | 0 | 111.3 | K367 T368 G375 V383 V389 R473 | K367-D371 VanDerWaalsContact O-CG 3.22Å; K367-D371 PolarHBondContact O-N 3.02Å; K367-D371 VanDerWaalsContact O-N 3.11Å; T368-D371 PolarHBondContact O-N 3.03Å; D371-G375 VanDerWaalsContact O-CA 3.3Å; D371-G375 WeakPolarHBondContact O-CA 3.25Å; D371-G375 PolarHBondContact O-N 3.45Å; D371-V383 HydrophobicContact CB-CG2 4.29Å; D371-V389 HydrophobicContact CB-CG1 4.15Å; D371-R473 IonicContact OD1-NH2 2.76Å; D371-R473 PolarHBondContact OD1-NH2 3.16Å |
| 372 | L | 97.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 176 | -70.2 | 174.8 | 0 | 0 | 0 | 112.3 | T368 E369 Q370 V389 L390 L410 Y411 | T368-L372 HydrophobicContact CG2-CD1 3.64Å; T368-L372 HydrophobicContact CG2-CG 4.15Å; T368-L372 WeakPolarHBondContact O-CB 3.2Å; T368-L372 VanDerWaalsContact O-CG 3.23Å; T368-L372 WeakPolarHBondContact O-CG 3.34Å; T368-L372 PolarHBondContact O-N 3.45Å; E369-L372 PolarHBondContact O-N 3Å; Q370-L372 PolarHBondContact O-N 3.42Å; L372-V389 HydrophobicContact CD2-CB 4.38Å; L372-V389 HydrophobicContact CG-CG1 4.48Å; L372-L390 HydrophobicContact CD1-CD1 4.16Å; L372-L410 HydrophobicContact CB-CB 4.23Å; L372-L410 HydrophobicContact CD1-CB 4.4Å; L372-Y411 HydrophobicContact CD2-CD2 4.47Å |
| 373 | A | 96.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V245 L249 E369 Q370 L410 W474 | V245-A373 HydrophobicContact CG1-CB 3.7Å; L249-A373 HydrophobicContact CD1-CB 3.71Å; E369-A373 WeakPolarHBondContact O-CB 3.49Å; E369-A373 PolarHBondContact O-N 3.37Å; Q370-A373 PolarHBondContact O-N 2.82Å; A373-L410 HydrophobicContact CB-CD2 4.45Å; A373-W474 HydrophobicContact CB-CD2 4.3Å; A373-W474 HydrophobicContact CB-CE3 3.71Å; A373-W474 HydrophobicContact CB-CZ3 4.13Å; A373-W474 WeakPolarHBondContact O-CZ3 3.17Å |
| 374 | L | 94.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -85.8 | -27.3 | -177.8 | -67 | 173 | 0 | 0 | 0 | 113.3 | Q370 T376 R460 R473 W474 | Q370-L374 WeakPolarHBondContact O-CB 3.39Å; Q370-L374 PolarHBondContact O-N 2.92Å; L374-T376 PolarHBondContact O-N 2.97Å; L374-R460 VanDerWaalsContact CD2-NH1 3.25Å; L374-R473 HydrophobicContact CD1-CB 3.44Å; L374-R473 VanDerWaalsContact CD1-CB 3.44Å; L374-W474 HydrophobicContact CD2-CE3 3.81Å; L374-W474 HydrophobicContact CD2-CZ3 4.29Å; L374-W474 HydrophobicContact CG-CE3 4.35Å |
| 375 | G | 94.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 54 Ų | 54 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 73.2 | 12.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D371 V383 | D371-G375 VanDerWaalsContact O-CA 3.3Å; D371-G375 WeakPolarHBondContact O-CA 3.25Å; D371-G375 PolarHBondContact O-N 3.45Å; G375-V383 PolarHBondContact O-N 2.89Å |
| 376 | T | 94.6 | Very high | 94.7 | Very high | 43 Ų | 43 | 55 Ų | 55 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -134.8 | 142.6 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | L374 Q381 R473 | L374-T376 PolarHBondContact O-N 2.97Å; T376-Q381 CarbonylContact C-O 3.5Å; T376-Q381 WeakPolarHBondContact CA-O 3.41Å; T376-R473 PolarHBondContact O-NH2 3.41Å |
| 377 | D | 94.2 | Very high | 94.7 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | trans | -74.9 | 175.8 | 172.2 | 65.8 | 17.7 | 0 | 0 | 0 | 111.9 | E379 G380 Q381 R473 | D377-E379 PolarHBondContact O-N 3.43Å; D377-E379 VanDerWaalsContact O-N 3.13Å; D377-E379 WeakPolarHBondContact OD1-CA 3.49Å; D377-E379 WeakPolarHBondContact OD1-CB 3.41Å; D377-E379 PolarHBondContact OD1-N 3.01Å; D377-E379 VanDerWaalsContact OD1-N 3.1Å; D377-G380 PolarHBondContact O-N 2.87Å; D377-G380 PolarHBondContact OD1-N 3.19Å; D377-G380 VanDerWaalsContact OD1-N 3.17Å; D377-Q381 PolarHBondContact N-O 3.22Å; D377-Q381 WeakPolarHBondContact OD1-CA 3.37Å; D377-Q381 WeakPolarHBondContact OD1-CB 3.47Å; D377-Q381 PolarHBondContact OD1-N 3.16Å; D377-Q381 WeakPolarHBondContact OD2-CB 3.21Å; D377-R473 VanDerWaalsContact C-NH2 3.3Å; D377-R473 PolarHBondContact O-NH1 3.01Å | ||
| 378 | A | 91.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G380 Q470 | A378-G380 VanDerWaalsContact C-N 3.33Å; A378-Q470 HydrophobicContact CB-CB 4.22Å; A378-Q470 HydrophobicContact CB-CG 4.15Å |
| 379 | E | 91.8 | Very high | 94.7 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 58% | 0.579 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.6 | 176.5 | -63.3 | 70.7 | -150.3 | 0 | 0 | 112.5 | D377 Q381 | D377-E379 PolarHBondContact O-N 3.43Å; D377-E379 VanDerWaalsContact O-N 3.13Å; D377-E379 WeakPolarHBondContact OD1-CA 3.49Å; D377-E379 WeakPolarHBondContact OD1-CB 3.41Å; D377-E379 PolarHBondContact OD1-N 3.01Å; D377-E379 VanDerWaalsContact OD1-N 3.1Å; E379-Q381 HydrophobicContact CB-CG 4.31Å; E379-Q381 PolarHBondContact O-N 3.26Å |
| 380 | G | 90.9 | Very high | 94.7 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 75.6 | 8.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D377 A378 | D377-G380 PolarHBondContact O-N 2.87Å; D377-G380 PolarHBondContact OD1-N 3.19Å; D377-G380 VanDerWaalsContact OD1-N 3.17Å; A378-G380 VanDerWaalsContact C-N 3.33Å |
| 381 | Q | 94.7 | Very high | 94.6 | Very high | 123 Ų | 123 | 60.9 Ų | 60.9 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | trans | -79 | 138.9 | 177.7 | -54.7 | -60.3 | -60.9 | 0 | 0 | 110.1 | T376 D377 E379 V383 | T376-Q381 CarbonylContact C-O 3.5Å; T376-Q381 WeakPolarHBondContact CA-O 3.41Å; D377-Q381 PolarHBondContact N-O 3.22Å; D377-Q381 WeakPolarHBondContact OD1-CA 3.37Å; D377-Q381 WeakPolarHBondContact OD1-CB 3.47Å; D377-Q381 PolarHBondContact OD1-N 3.16Å; D377-Q381 WeakPolarHBondContact OD2-CB 3.21Å; E379-Q381 HydrophobicContact CB-CG 4.31Å; E379-Q381 PolarHBondContact O-N 3.26Å; Q381-V383 PolarHBondContact O-N 2.72Å | ||
| 382 | R | 94.9 | Very high | 94.5 | Very high | 209 Ų | 209 | 64 Ų | 64 | 79% | 0.789 | 34% | 0.337 | S | S | * | . | B | Isolated β-bridge | trans | -63.2 | 128.6 | 178.1 | -174.9 | 177.8 | 177.2 | -175.8 | 0.2 | 110.8 | K384 | R382-K384 PolarHBondContact O-N 3.35Å; R382-K384 VanDerWaalsContact O-N 3.14Å |
| 383 | V | 94.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 64.1 Ų | 64.1 | 13% | 0.127 | 34% | 0.338 | C | S | . | . | trans | -65.5 | 112.9 | 170.8 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | D371 G375 Q381 V389 | D371-V383 HydrophobicContact CB-CG2 4.29Å; G375-V383 PolarHBondContact O-N 2.89Å; Q381-V383 PolarHBondContact O-N 2.72Å; V383-V389 HydrophobicContact CG1-CG2 3.67Å | ||
| 384 | K | 92.5 | Very high | 94.2 | Very high | 209 Ų | 209 | 64.5 Ų | 64.5 | 91% | 0.909 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -77.3 | -39 | -177.3 | -68.1 | -178.5 | -179.7 | 175.6 | 0 | 112.7 | R382 | R382-K384 PolarHBondContact O-N 3.35Å; R382-K384 VanDerWaalsContact O-N 3.14Å |
| 385 | D | 94.6 | Very high | 94.1 | Very high | 76 Ų | 76 | 69.2 Ų | 69.2 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | trans | -134.6 | 96.2 | -178.8 | -172.3 | -22.3 | 0 | 0 | 0 | 109.3 | M387 L388 | D385-M387 PolarHBondContact O-N 2.93Å; D385-M387 WeakPolarHBondContact OD1-CA 3.1Å; D385-M387 VanDerWaalsContact OD1-CB 3.26Å; D385-M387 WeakPolarHBondContact OD1-CB 3.34Å; D385-M387 PolarHBondContact OD1-N 3.15Å; D385-L388 HydrophobicContact CB-CB 4.27Å; D385-L388 HydrophobicContact CB-CD1 3.95Å; D385-L388 HydrophobicContact CB-CG 4.05Å; D385-L388 PolarHBondContact O-N 2.95Å; D385-L388 PolarHBondContact OD1-N 3.4Å; D385-L388 WeakPolarHBondContact OD2-CG 3.44Å | ||
| 386 | S | 95.5 | Very high | 94 | Very high | 22 Ų | 22 | 70.5 Ų | 70.5 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.9 | -24.6 | 179.7 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | V389 L390 | S386-V389 PolarHBondContact O-N 3.2Å; S386-L390 WeakPolarHBondContact O-CB 3.29Å; S386-L390 PolarHBondContact O-N 3.43Å; S386-L390 VanDerWaalsContact O-N 3.09Å |
| 387 | M | 95.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 77.7 Ų | 77.7 | 19% | 0.187 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 177.4 | -172.9 | 59 | 67 | 0 | 0 | 110.9 | D385 V389 L390 L391 Y411 L426 | D385-M387 PolarHBondContact O-N 2.93Å; D385-M387 WeakPolarHBondContact OD1-CA 3.1Å; D385-M387 VanDerWaalsContact OD1-CB 3.26Å; D385-M387 WeakPolarHBondContact OD1-CB 3.34Å; D385-M387 PolarHBondContact OD1-N 3.15Å; M387-V389 PolarHBondContact O-N 3.04Å; M387-L390 PolarHBondContact O-N 3.15Å; M387-L390 VanDerWaalsContact O-N 3.11Å; M387-L390 HydrophobicContact SD-CD2 4.12Å; M387-L391 HydrophobicContact CG-CD1 4.34Å; M387-L391 HydrophobicContact CG-CG 4.27Å; M387-L391 WeakPolarHBondContact O-CG 3.42Å; M387-L391 PolarHBondContact O-N 3.35Å; M387-L391 HydrophobicContact SD-CG 4.41Å; M387-Y411 HydrophobicContact CE-CE1 3.92Å; M387-Y411 HydrophobicContact CE-CE2 3.94Å; M387-L426 HydrophobicContact CE-CD1 4.22Å; M387-L426 HydrophobicContact CE-CD2 4.02Å; M387-L426 HydrophobicContact CE-CG 4.44Å; M387-L426 HydrophobicContact SD-CD2 4.04Å |
| 388 | L | 95.1 | Very high | 93.5 | Very high | 113 Ų | 113 | 80.6 Ų | 80.6 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.2 | -31.2 | 175.3 | -71.1 | -179.9 | 0 | 0 | 0 | 112.8 | D385 L391 P392 | D385-L388 HydrophobicContact CB-CB 4.27Å; D385-L388 HydrophobicContact CB-CD1 3.95Å; D385-L388 HydrophobicContact CB-CG 4.05Å; D385-L388 PolarHBondContact O-N 2.95Å; D385-L388 PolarHBondContact OD1-N 3.4Å; D385-L388 WeakPolarHBondContact OD2-CG 3.44Å; L388-L391 HydrophobicContact CD2-CD1 4.41Å; L388-P392 WeakPolarHBondContact O-CD 3.4Å |
| 389 | V | 95.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 79.7 Ų | 79.7 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -74.1 | -34.4 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | T368 D371 L372 V383 S386 M387 | T368-V389 HydrophobicContact CG2-CG1 4.01Å; T368-V389 WeakPolarHBondContact CG2-O 3.39Å; T368-V389 PolarHBondContact OG1-O 3.42Å; D371-V389 HydrophobicContact CB-CG1 4.15Å; L372-V389 HydrophobicContact CD2-CB 4.38Å; L372-V389 HydrophobicContact CG-CG1 4.48Å; V383-V389 HydrophobicContact CG1-CG2 3.67Å; S386-V389 PolarHBondContact O-N 3.2Å; M387-V389 PolarHBondContact O-N 3.04Å |
| 390 | L | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75.3 | -41.9 | -179.6 | 178.7 | 63.5 | 0 | 0 | 0 | 113.3 | L372 S386 M387 P392 V393 L394 A407 Y411 L426 | L372-L390 HydrophobicContact CD1-CD1 4.16Å; S386-L390 WeakPolarHBondContact O-CB 3.29Å; S386-L390 PolarHBondContact O-N 3.43Å; S386-L390 VanDerWaalsContact O-N 3.09Å; M387-L390 PolarHBondContact O-N 3.15Å; M387-L390 VanDerWaalsContact O-N 3.11Å; M387-L390 HydrophobicContact SD-CD2 4.12Å; L390-P392 VanDerWaalsContact C-CD 3.48Å; L390-V393 WeakPolarHBondContact O-CB 3.32Å; L390-V393 PolarHBondContact O-N 3.5Å; L390-L394 HydrophobicContact CD1-CD1 4.38Å; L390-L394 HydrophobicContact CD1-CD2 4.03Å; L390-L394 HydrophobicContact CD1-CG 4.09Å; L390-L394 HydrophobicContact CD2-CD1 3.88Å; L390-L394 HydrophobicContact CD2-CG 4.48Å; L390-L394 HydrophobicContact CG-CD1 3.76Å; L390-L394 HydrophobicContact CG-CD2 4.32Å; L390-L394 HydrophobicContact CG-CG 3.88Å; L390-L394 PolarHBondContact O-N 3.07Å; L390-A407 HydrophobicContact CD1-CB 3.7Å; L390-Y411 HydrophobicContact CD2-CD1 4.12Å; L390-Y411 HydrophobicContact CD2-CD2 4.23Å; L390-Y411 HydrophobicContact CD2-CG 3.76Å; L390-L426 HydrophobicContact CD2-CD2 4.27Å |
| 391 | L | 95.2 | Very high | 93.7 | Very high | 68 Ų | 68 | 77.8 Ų | 77.8 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -52.1 | -43.3 | -172 | -78 | 171.1 | 0 | 0 | 0 | 114.9 | M387 L388 V393 L394 L395 | M387-L391 HydrophobicContact CG-CD1 4.34Å; M387-L391 HydrophobicContact CG-CG 4.27Å; M387-L391 WeakPolarHBondContact O-CG 3.42Å; M387-L391 PolarHBondContact O-N 3.35Å; M387-L391 HydrophobicContact SD-CG 4.41Å; L388-L391 HydrophobicContact CD2-CD1 4.41Å; L391-V393 PolarHBondContact O-N 2.91Å; L391-L394 PolarHBondContact O-N 3.43Å; L391-L394 VanDerWaalsContact O-N 3.17Å; L391-L395 WeakPolarHBondContact O-CB 3.3Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.39Å; L391-L395 PolarHBondContact O-N 3.24Å |
| 392 | P | 94 | Very high | 93.7 | Very high | 81 Ų | 81 | 73 Ų | 73 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.9 | -34.3 | 177.3 | -26.6 | 35.6 | 0 | 0 | 0 | 113.8 | L388 L390 N396 | L388-P392 WeakPolarHBondContact O-CD 3.4Å; L390-P392 VanDerWaalsContact C-CD 3.48Å; P392-N396 WeakPolarHBondContact O-CB 3.14Å; P392-N396 PolarHBondContact O-N 2.71Å |
| 393 | V | 94.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.8 | -46.5 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | L365 T368 L390 L391 L395 N396 H399 A407 | L365-V393 HydrophobicContact CD1-CB 4.43Å; L365-V393 HydrophobicContact CD1-CG1 3.57Å; L365-V393 HydrophobicContact CD1-CG2 3.95Å; T368-V393 HydrophobicContact CG2-CG2 3.58Å; L390-V393 WeakPolarHBondContact O-CB 3.32Å; L390-V393 PolarHBondContact O-N 3.5Å; L391-V393 PolarHBondContact O-N 2.91Å; V393-L395 VanDerWaalsContact C-N 3.31Å; V393-L395 PolarHBondContact O-N 2.61Å; V393-N396 PolarHBondContact O-N 3.07Å; V393-H399 PolarHBondContact O-CD2 3.42Å; V393-A407 HydrophobicContact CG1-CB 3.77Å |
| 394 | L | 94.3 | Very high | 93.8 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -36.6 | -177.9 | -58.3 | -174.2 | 0 | 0 | 0 | 112.7 | L390 L391 K404 V408 L426 V430 | L390-L394 HydrophobicContact CD1-CD1 4.38Å; L390-L394 HydrophobicContact CD1-CD2 4.03Å; L390-L394 HydrophobicContact CD1-CG 4.09Å; L390-L394 HydrophobicContact CD2-CD1 3.88Å; L390-L394 HydrophobicContact CD2-CG 4.48Å; L390-L394 HydrophobicContact CG-CD1 3.76Å; L390-L394 HydrophobicContact CG-CD2 4.32Å; L390-L394 HydrophobicContact CG-CG 3.88Å; L390-L394 PolarHBondContact O-N 3.07Å; L391-L394 PolarHBondContact O-N 3.43Å; L391-L394 VanDerWaalsContact O-N 3.17Å; L394-K404 HydrophobicContact CD2-CB 4.24Å; L394-K404 HydrophobicContact CD2-CG 4.48Å; L394-K404 PolarHBondContact O-NZ 3.29Å; L394-V408 HydrophobicContact CD1-CG2 4.5Å; L394-V408 HydrophobicContact CD2-CG2 3.8Å; L394-L426 HydrophobicContact CD1-CD2 3.83Å; L394-V430 HydrophobicContact CB-CG2 4.1Å; L394-V430 HydrophobicContact CD1-CG2 3.81Å; L394-V430 HydrophobicContact CD2-CG2 3.86Å; L394-V430 HydrophobicContact CG-CG2 4.12Å |
| 395 | L | 92.6 | Very high | 94 | Very high | 133 Ų | 133 | 54 Ų | 54 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -79.7 | -18.5 | -179.2 | -65.9 | 174 | 0 | 0 | 0 | 113.6 | L391 V393 K397 | L391-L395 WeakPolarHBondContact O-CB 3.3Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.39Å; L391-L395 PolarHBondContact O-N 3.24Å; V393-L395 VanDerWaalsContact C-N 3.31Å; V393-L395 PolarHBondContact O-N 2.61Å; L395-K397 PolarHBondContact O-N 2.88Å |
| 396 | N | 91.6 | Very high | 94.2 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | trans | -74.8 | 119.6 | -179.3 | 179.1 | 6.4 | 0 | 0 | 0 | 110.6 | P392 V393 N398 H399 K404 | P392-N396 WeakPolarHBondContact O-CB 3.14Å; P392-N396 PolarHBondContact O-N 2.71Å; V393-N396 PolarHBondContact O-N 3.07Å; N396-N398 PolarHBondContact O-N 3.43Å; N396-N398 WeakPolarHBondContact OD1-CB 3.32Å; N396-N398 PolarHBondContact OD1-N 3.32Å; N396-H399 PolarHBondContact ND2-CD2 2.83Å; N396-H399 PolarHBondContact ND2-NE2 3.01Å; N396-H399 PolarHBondContact O-N 3.25Å; N396-K404 WeakPolarHBondContact O-CE 3.43Å | ||
| 397 | K | 89.5 | Confident | 94.3 | Very high | 193 Ų | 193 | 49.6 Ų | 49.6 | 84% | 0.839 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14 | -178.5 | -65 | -178.6 | 179.9 | 179.2 | 0 | 113.6 | L395 | L395-K397 PolarHBondContact O-N 2.88Š|
| 398 | N | 89.3 | Confident | 94.4 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 55% | 0.551 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.1 | -179.6 | -64.8 | -7.7 | 0 | 0 | 0 | 113.3 | N361 N396 | N361-N398 PolarHBondContact ND2-O 3.31Å; N361-N398 WeakPolarHBondContact OD1-CB 3.38Å; N396-N398 PolarHBondContact O-N 3.43Å; N396-N398 WeakPolarHBondContact OD1-CB 3.32Å; N396-N398 PolarHBondContact OD1-N 3.32Å |
| 399 | H | 91.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -83.8 | 136.1 | 173.5 | -62.4 | -55.7 | 0 | 0 | 0 | 110.4 | N361 V393 N396 D403 K404 | N361-H399 PolarHBondContact O-CE1 2.96Å; V393-H399 PolarHBondContact O-CD2 3.42Å; N396-H399 PolarHBondContact ND2-CD2 2.83Å; N396-H399 PolarHBondContact ND2-NE2 3.01Å; N396-H399 PolarHBondContact O-N 3.25Å; H399-D403 HydrophobicContact CB-CB 4.16Å; H399-K404 HydrophobicContact CB-CG 4.16Å; H399-K404 WeakPolarHBondContact O-CE 3.48Å |
| 400 | D | 92.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | trans | -74 | 171.8 | 172.9 | 76 | 13.8 | 0 | 0 | 0 | 111.1 | C402 D403 K404 R571 | D400-C402 PolarHBondContact O-N 2.89Å; D400-C402 WeakPolarHBondContact OD1-CA 3.05Å; D400-C402 WeakPolarHBondContact OD1-CB 3.46Å; D400-C402 PolarHBondContact OD1-N 3.3Å; D400-D403 PolarHBondContact O-N 3.13Å; D400-D403 PolarHBondContact OD1-N 2.97Å; D400-K404 WeakPolarHBondContact O-CG 3.47Å; D400-K404 PolarHBondContact O-N 3.29Å; D400-R571 IonicContact OD2-NH2 2.65Å; D400-R571 PolarHBondContact OD2-NH2 2.7Å | ||
| 401 | N | 93.8 | Very high | 94.7 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.9 | -30.9 | 179.9 | -75.6 | 0.8 | 0 | 0 | 0 | 112.2 | K404 I405 I432 | N401-K404 PolarHBondContact O-N 3.42Å; N401-I405 WeakPolarHBondContact O-CB 3.41Å; N401-I405 WeakPolarHBondContact O-CD1 3.47Å; N401-I405 WeakPolarHBondContact O-CG1 3.48Å; N401-I405 PolarHBondContact O-N 3.48Å; N401-I432 HydrophobicContact CB-CG2 4.04Å |
| 402 | C | 94.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -48 | 179.7 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | D400 K404 I405 R406 | D400-C402 PolarHBondContact O-N 2.89Å; D400-C402 WeakPolarHBondContact OD1-CA 3.05Å; D400-C402 WeakPolarHBondContact OD1-CB 3.46Å; D400-C402 PolarHBondContact OD1-N 3.3Å; C402-K404 VanDerWaalsContact C-N 3.3Å; C402-K404 PolarHBondContact O-N 2.92Å; C402-I405 PolarHBondContact O-N 3.29Å; C402-R406 VanDerWaalsContact O-CG 3.26Å; C402-R406 WeakPolarHBondContact O-CG 3.42Å; C402-R406 PolarHBondContact O-N 2.95Å |
| 403 | D | 95.5 | Very high | 94.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -41.2 | 175 | -73.4 | -19.1 | 0 | 0 | 0 | 111.7 | H250 L365 H399 D400 R406 A407 | H250-D403 IonicContact CE1-OD1 2.91Å; H250-D403 IonicContact NE2-OD1 3.56Å; L365-D403 HydrophobicContact CD2-CB 3.79Å; H399-D403 HydrophobicContact CB-CB 4.16Å; D400-D403 PolarHBondContact O-N 3.13Å; D400-D403 PolarHBondContact OD1-N 2.97Å; D403-R406 PolarHBondContact O-N 3.47Å; D403-A407 PolarHBondContact O-N 3Å |
| 404 | K | 96 | Very high | 94.9 | Very high | 25 Ų | 25 | 36 Ų | 36 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -42.4 | 176 | -68.4 | 177.5 | -174.3 | -178.6 | 0 | 112 | L394 N396 H399 D400 N401 C402 A407 V408 V430 | L394-K404 HydrophobicContact CD2-CB 4.24Å; L394-K404 HydrophobicContact CD2-CG 4.48Å; L394-K404 PolarHBondContact O-NZ 3.29Å; N396-K404 WeakPolarHBondContact O-CE 3.43Å; H399-K404 HydrophobicContact CB-CG 4.16Å; H399-K404 WeakPolarHBondContact O-CE 3.48Å; D400-K404 WeakPolarHBondContact O-CG 3.47Å; D400-K404 PolarHBondContact O-N 3.29Å; N401-K404 PolarHBondContact O-N 3.42Å; C402-K404 VanDerWaalsContact C-N 3.3Å; C402-K404 PolarHBondContact O-N 2.92Å; K404-A407 PolarHBondContact O-N 3.41Å; K404-V408 WeakPolarHBondContact O-CG2 3.37Å; K404-V408 PolarHBondContact O-N 3.05Å; K404-V430 HydrophobicContact CB-CG1 3.94Å; K404-V430 HydrophobicContact CD-CG1 3.83Å; K404-V430 HydrophobicContact CG-CG1 4.48Å |
| 405 | I | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.2 | -72.4 | 163.1 | 0 | 0 | 0 | 110.3 | N401 C402 A407 V408 L409 I432 D435 M438 I439 L574 | N401-I405 WeakPolarHBondContact O-CB 3.41Å; N401-I405 WeakPolarHBondContact O-CD1 3.47Å; N401-I405 WeakPolarHBondContact O-CG1 3.48Å; N401-I405 PolarHBondContact O-N 3.48Å; C402-I405 PolarHBondContact O-N 3.29Å; I405-A407 VanDerWaalsContact C-N 3.34Å; I405-A407 PolarHBondContact O-N 2.94Å; I405-V408 PolarHBondContact O-N 3.01Å; I405-L409 HydrophobicContact CG2-CD1 3.91Å; I405-L409 HydrophobicContact CG2-CG 4.36Å; I405-L409 WeakPolarHBondContact O-CB 3.39Å; I405-L409 VanDerWaalsContact O-CG 3.3Å; I405-L409 WeakPolarHBondContact O-CG 3.03Å; I405-L409 PolarHBondContact O-N 2.94Å; I405-I432 HydrophobicContact CD1-CG2 4.32Å; I405-I432 HydrophobicContact CG1-CB 4.5Å; I405-I432 HydrophobicContact CG1-CD1 3.7Å; I405-I432 HydrophobicContact CG1-CG2 4.3Å; I405-D435 HydrophobicContact CD1-CB 3.65Å; I405-M438 HydrophobicContact CD1-SD 3.85Å; I405-M438 HydrophobicContact CG2-CB 4.18Å; I405-I439 HydrophobicContact CG2-CG1 4.09Å; I405-L574 HydrophobicContact CG2-CD1 4.28Å; I405-L574 HydrophobicContact CG2-CD2 4.35Å |
| 406 | R | 97.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.2 | -46 | 175.2 | -68.3 | 165.9 | 68 | 158.5 | 11.8 | 111.4 | V248 H250 D260 C402 D403 L409 L410 L574 | V248-R406 HydrophobicContact CB-CB 4.44Å; V248-R406 HydrophobicContact CB-CG 4.26Å; V248-R406 VanDerWaalsContact O-CZ 3.29Å; V248-R406 PolarHBondContact O-NE 3.06Å; V248-R406 PolarHBondContact O-NH2 3.47Å; H250-R406 PolarHBondContact CD2-NH2 3.17Å; H250-R406 PolarHBondContact CE1-NH1 3.16Å; H250-R406 VanDerWaalsContact CE1-NH1 3.29Å; H250-R406 PolarHBondContact ND1-NH2 2.81Å; H250-R406 PolarHBondContact NE2-NH1 2.96Å; D260-R406 IonicContact OD1-CZ 2.62Å; D260-R406 IonicContact OD1-NH1 2.61Å; D260-R406 PolarHBondContact OD1-NH1 3.41Å; D260-R406 IonicContact OD1-NH2 3.72Å; D260-R406 IonicContact OD2-CZ 2.79Å; D260-R406 IonicContact OD2-NH1 2.62Å; D260-R406 PolarHBondContact OD2-NH1 2.91Å; D260-R406 VanDerWaalsContact OD2-NH1 3.16Å; D260-R406 IonicContact OD2-NH2 3Å; D260-R406 PolarHBondContact OD2-NH2 3.37Å; C402-R406 VanDerWaalsContact O-CG 3.26Å; C402-R406 WeakPolarHBondContact O-CG 3.42Å; C402-R406 PolarHBondContact O-N 2.95Å; D403-R406 PolarHBondContact O-N 3.47Å; R406-L409 WeakPolarHBondContact O-CB 3.42Å; R406-L409 PolarHBondContact O-N 3.35Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 3.46Å; R406-L574 HydrophobicContact CG-CD1 4.03Å |
| 407 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L365 L390 V393 D403 K404 I405 L410 Y411 | L365-A407 HydrophobicContact CD1-CB 4.26Å; L390-A407 HydrophobicContact CD1-CB 3.7Å; V393-A407 HydrophobicContact CG1-CB 3.77Å; D403-A407 PolarHBondContact O-N 3Å; K404-A407 PolarHBondContact O-N 3.41Å; I405-A407 VanDerWaalsContact C-N 3.34Å; I405-A407 PolarHBondContact O-N 2.94Å; A407-L410 PolarHBondContact O-N 3.28Å; A407-Y411 PolarHBondContact O-N 2.84Å |
| 408 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62 | -44 | 173.9 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L394 K404 I405 Y411 I412 L426 I439 | L394-V408 HydrophobicContact CD1-CG2 4.5Å; L394-V408 HydrophobicContact CD2-CG2 3.8Å; K404-V408 WeakPolarHBondContact O-CG2 3.37Å; K404-V408 PolarHBondContact O-N 3.05Å; I405-V408 PolarHBondContact O-N 3.01Å; V408-Y411 WeakPolarHBondContact O-CB 3.43Å; V408-Y411 PolarHBondContact O-N 2.74Å; V408-I412 HydrophobicContact CG1-CD1 3.86Å; V408-I412 HydrophobicContact CG1-CG1 4.45Å; V408-I412 WeakPolarHBondContact O-CG1 3.15Å; V408-I412 PolarHBondContact O-N 3.49Å; V408-L426 HydrophobicContact CG1-CD1 4.36Å; V408-I439 HydrophobicContact CB-CD1 4.49Å; V408-I439 HydrophobicContact CG1-CD1 3.92Å |
| 409 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 176.3 | -75.3 | 172.2 | 0 | 0 | 0 | 111.6 | V248 I405 R406 Y411 I412 F413 I439 W442 L574 | V248-L409 HydrophobicContact CG1-CD1 4.05Å; V248-L409 HydrophobicContact CG2-CB 4.36Å; I405-L409 HydrophobicContact CG2-CD1 3.91Å; I405-L409 HydrophobicContact CG2-CG 4.36Å; I405-L409 WeakPolarHBondContact O-CB 3.39Å; I405-L409 VanDerWaalsContact O-CG 3.3Å; I405-L409 WeakPolarHBondContact O-CG 3.03Å; I405-L409 PolarHBondContact O-N 2.94Å; R406-L409 WeakPolarHBondContact O-CB 3.42Å; R406-L409 PolarHBondContact O-N 3.35Å; L409-Y411 VanDerWaalsContact C-N 3.29Å; L409-Y411 PolarHBondContact O-N 3.22Å; L409-I412 PolarHBondContact O-N 2.77Å; L409-I412 VanDerWaalsContact O-N 3.12Å; L409-F413 HydrophobicContact CB-CD2 4.39Å; L409-F413 HydrophobicContact CB-CE2 3.77Å; L409-F413 HydrophobicContact CB-CZ 3.93Å; L409-F413 HydrophobicContact CD2-CE1 4.14Å; L409-F413 HydrophobicContact CD2-CE2 4.43Å; L409-F413 HydrophobicContact CD2-CZ 3.72Å; L409-F413 HydrophobicContact CG-CZ 4.32Å; L409-F413 WeakPolarHBondContact O-CB 3.13Å; L409-F413 VanDerWaalsContact O-CD2 3.23Å; L409-F413 WeakPolarHBondContact O-CD2 3.34Å; L409-F413 WeakPolarHBondContact O-CG 3.29Å; L409-F413 PolarHBondContact O-N 3.2Å; L409-I439 HydrophobicContact CD2-CB 4.3Å; L409-I439 HydrophobicContact CD2-CG1 4.22Å; L409-I439 HydrophobicContact CD2-CG2 4.05Å; L409-I439 HydrophobicContact CG-CG1 4.38Å; L409-W442 VanDerWaalsContact CD2-CD1 3.49Å; L409-W442 HydrophobicContact CD2-CG 4.3Å; L409-L574 HydrophobicContact CD1-CD2 3.53Å |
| 410 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 176.1 | -71.8 | 169.4 | 0 | 0 | 0 | 112.5 | V245 V248 L249 E369 L372 A373 R406 A407 G414 | V245-L410 HydrophobicContact CB-CD2 4.41Å; V245-L410 HydrophobicContact CG1-CD2 3.74Å; V248-L410 HydrophobicContact CG2-CD2 3.8Å; V248-L410 HydrophobicContact CG2-CG 3.89Å; L249-L410 HydrophobicContact CB-CD2 4.35Å; L249-L410 HydrophobicContact CD1-CD1 4.35Å; L249-L410 HydrophobicContact CD1-CD2 4.16Å; E369-L410 HydrophobicContact CB-CD1 3.61Å; E369-L410 HydrophobicContact CG-CD1 3.44Å; E369-L410 VanDerWaalsContact CG-CD1 3.44Å; L372-L410 HydrophobicContact CB-CB 4.23Å; L372-L410 HydrophobicContact CD1-CB 4.4Å; A373-L410 HydrophobicContact CB-CD2 4.45Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 3.46Å; A407-L410 PolarHBondContact O-N 3.28Å; L410-G414 WeakPolarHBondContact O-CA 3.38Å; L410-G414 PolarHBondContact O-N 2.9Å |
| 411 | Y | 97.5 | Very high | 96.2 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 11% | 0.106 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -51.9 | 170.6 | 162.3 | -96.9 | 0 | 0 | 0 | 111.3 | L372 M387 L390 A407 V408 L409 F413 G414 V415 N422 L426 | L372-Y411 HydrophobicContact CD2-CD2 4.47Å; M387-Y411 HydrophobicContact CE-CE1 3.92Å; M387-Y411 HydrophobicContact CE-CE2 3.94Å; L390-Y411 HydrophobicContact CD2-CD1 4.12Å; L390-Y411 HydrophobicContact CD2-CD2 4.23Å; L390-Y411 HydrophobicContact CD2-CG 3.76Å; A407-Y411 PolarHBondContact O-N 2.84Å; V408-Y411 WeakPolarHBondContact O-CB 3.43Å; V408-Y411 PolarHBondContact O-N 2.74Å; L409-Y411 VanDerWaalsContact C-N 3.29Å; L409-Y411 PolarHBondContact O-N 3.22Å; Y411-F413 PolarHBondContact O-N 3.17Å; Y411-G414 CarbonylContact O-C 3.29Å; Y411-G414 WeakPolarHBondContact O-CA 3.38Å; Y411-G414 PolarHBondContact O-N 3.04Å; Y411-G414 VanDerWaalsContact O-N 3.15Å; Y411-V415 HydrophobicContact CE1-CG2 4.32Å; Y411-V415 HydrophobicContact CE2-CG1 4.2Å; Y411-V415 HydrophobicContact CE2-CG2 4.46Å; Y411-V415 VanDerWaalsContact O-CG2 3.31Å; Y411-V415 WeakPolarHBondContact O-CG2 3.39Å; Y411-V415 PolarHBondContact O-N 3.1Å; Y411-N422 PolarHBondContact OH-ND2 3.34Å; Y411-L426 HydrophobicContact CD1-CD1 4.25Å; Y411-L426 HydrophobicContact CE1-CD1 4.06Å |
| 412 | I | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | -178.4 | -65.9 | 169.3 | 0 | 0 | 0 | 111 | V408 L409 G414 V415 N416 G417 T418 L423 I439 I449 | V408-I412 HydrophobicContact CG1-CD1 3.86Å; V408-I412 HydrophobicContact CG1-CG1 4.45Å; V408-I412 WeakPolarHBondContact O-CG1 3.15Å; V408-I412 PolarHBondContact O-N 3.49Å; L409-I412 PolarHBondContact O-N 2.77Å; L409-I412 VanDerWaalsContact O-N 3.12Å; I412-G414 VanDerWaalsContact C-N 3.31Å; I412-G414 PolarHBondContact O-N 2.95Å; I412-V415 CarbonylContact O-C 3.53Å; I412-V415 PolarHBondContact O-N 3.12Å; I412-N416 WeakPolarHBondContact O-CA 3.45Å; I412-N416 PolarHBondContact O-N 3.27Å; I412-G417 PolarHBondContact O-N 3.2Å; I412-T418 HydrophobicContact CD1-CG2 4.13Å; I412-T418 HydrophobicContact CG1-CG2 4Å; I412-T418 HydrophobicContact CG2-CG2 4.46Å; I412-L423 HydrophobicContact CD1-CD1 3.98Å; I412-I439 HydrophobicContact CD1-CG2 3.67Å; I412-I449 HydrophobicContact CG2-CD1 3.84Å |
| 413 | F | 96.5 | Very high | 96.4 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 175.7 | -55.6 | -25.4 | 0 | 0 | 0 | 111 | P244 V245 V248 L409 Y411 V415 N416 W442 V447 I449 | P244-F413 HydrophobicContact CB-CD1 4.23Å; P244-F413 HydrophobicContact CB-CD2 3.94Å; P244-F413 HydrophobicContact CB-CE1 3.98Å; P244-F413 HydrophobicContact CB-CE2 3.66Å; P244-F413 HydrophobicContact CB-CG 4.22Å; P244-F413 HydrophobicContact CB-CZ 3.68Å; P244-F413 HydrophobicContact CG-CD1 4.18Å; P244-F413 HydrophobicContact CG-CD2 4.19Å; P244-F413 HydrophobicContact CG-CE1 4.39Å; P244-F413 HydrophobicContact CG-CE2 4.39Å; P244-F413 HydrophobicContact CG-CG 4.09Å; P244-F413 HydrophobicContact CG-CZ 4.49Å; P244-F413 VanDerWaalsContact O-CE2 3.22Å; P244-F413 WeakPolarHBondContact O-CE2 3.01Å; V245-F413 HydrophobicContact CG2-CB 3.87Å; V245-F413 HydrophobicContact CG2-CD2 4.15Å; V245-F413 HydrophobicContact CG2-CG 4.43Å; V248-F413 HydrophobicContact CG2-CD2 4.37Å; V248-F413 HydrophobicContact CG2-CE2 3.9Å; L409-F413 HydrophobicContact CB-CD2 4.39Å; L409-F413 HydrophobicContact CB-CE2 3.77Å; L409-F413 HydrophobicContact CB-CZ 3.93Å; L409-F413 HydrophobicContact CD2-CE1 4.14Å; L409-F413 HydrophobicContact CD2-CE2 4.43Å; L409-F413 HydrophobicContact CD2-CZ 3.72Å; L409-F413 HydrophobicContact CG-CZ 4.32Å; L409-F413 WeakPolarHBondContact O-CB 3.13Å; L409-F413 VanDerWaalsContact O-CD2 3.23Å; L409-F413 WeakPolarHBondContact O-CD2 3.34Å; L409-F413 WeakPolarHBondContact O-CG 3.29Å; L409-F413 PolarHBondContact O-N 3.2Å; Y411-F413 PolarHBondContact O-N 3.17Å; F413-V415 VanDerWaalsContact C-N 3.26Å; F413-V415 PolarHBondContact O-N 3.01Å; F413-N416 PolarHBondContact O-N 3.13Å; F413-N416 VanDerWaalsContact O-N 3.13Å; F413-W442 HydrophobicContact CE1-CD2 4.25Å; F413-W442 HydrophobicContact CE1-CE3 4.47Å; F413-W442 HydrophobicContact CE1-CG 4.35Å; F413-W442 AromaticContact CZ-CD2 3.71Å; F413-W442 HydrophobicContact CZ-CD2 3.71Å; F413-W442 AromaticContact CZ-CE2 3.77Å; F413-W442 HydrophobicContact CZ-CE3 4.02Å; F413-W442 HydrophobicContact CZ-CG 4.13Å; F413-W442 HydrophobicContact CZ-CH2 4.44Å; F413-W442 HydrophobicContact CZ-CZ2 4.14Å; F413-W442 HydrophobicContact CZ-CZ3 4.37Å; F413-V447 HydrophobicContact CD1-CG1 3.75Å; F413-V447 HydrophobicContact CE1-CG1 3.54Å; F413-V447 HydrophobicContact CZ-CG1 4.49Å; F413-I449 HydrophobicContact CE1-CD1 3.94Å |
| 414 | G | 93.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -20.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L410 Y411 I412 K457 | L410-G414 WeakPolarHBondContact O-CA 3.38Å; L410-G414 PolarHBondContact O-N 2.9Å; Y411-G414 CarbonylContact O-C 3.29Å; Y411-G414 WeakPolarHBondContact O-CA 3.38Å; Y411-G414 PolarHBondContact O-N 3.04Å; Y411-G414 VanDerWaalsContact O-N 3.15Å; I412-G414 VanDerWaalsContact C-N 3.31Å; I412-G414 PolarHBondContact O-N 2.95Å; G414-K457 WeakPolarHBondContact O-CE 3.29Å; G414-K457 PolarHBondContact O-NZ 3.47Å |
| 415 | V | 92.9 | Very high | 96.6 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -109.3 | 0.7 | 170.2 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | Y411 I412 F413 G417 | Y411-V415 HydrophobicContact CE1-CG2 4.32Å; Y411-V415 HydrophobicContact CE2-CG1 4.2Å; Y411-V415 HydrophobicContact CE2-CG2 4.46Å; Y411-V415 VanDerWaalsContact O-CG2 3.31Å; Y411-V415 WeakPolarHBondContact O-CG2 3.39Å; Y411-V415 PolarHBondContact O-N 3.1Å; I412-V415 CarbonylContact O-C 3.53Å; I412-V415 PolarHBondContact O-N 3.12Å; F413-V415 VanDerWaalsContact C-N 3.26Å; F413-V415 PolarHBondContact O-N 3.01Å; V415-G417 WeakPolarHBondContact CG2-O 3.43Å |
| 416 | N | 94 | Very high | 96.5 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 40.7 | -177.1 | -153.8 | 37.8 | 0 | 0 | 0 | 113.8 | I412 F413 P448 Q455 K457 | I412-N416 WeakPolarHBondContact O-CA 3.45Å; I412-N416 PolarHBondContact O-N 3.27Å; F413-N416 PolarHBondContact O-N 3.13Å; F413-N416 VanDerWaalsContact O-N 3.13Å; N416-P448 WeakPolarHBondContact OD1-CG 3.08Å; N416-Q455 PolarHBondContact ND2-O 2.93Å; N416-K457 HydrophobicContact CB-CG 3.84Å |
| 417 | G | 95.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | trans | 118.2 | 163.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I412 V415 I449 | I412-G417 PolarHBondContact O-N 3.2Å; V415-G417 WeakPolarHBondContact CG2-O 3.43Å; G417-I449 CarbonylContact C-O 3.58Å; G417-I449 WeakPolarHBondContact CA-O 3.28Å | ||
| 418 | T | 95.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | trans | -137 | 169.9 | 179.2 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | I412 N422 L423 I449 V450 | I412-T418 HydrophobicContact CD1-CG2 4.13Å; I412-T418 HydrophobicContact CG1-CG2 4Å; I412-T418 HydrophobicContact CG2-CG2 4.46Å; T418-N422 WeakPolarHBondContact OG1-CB 3.11Å; T418-N422 PolarHBondContact OG1-ND2 3.25Å; T418-L423 HydrophobicContact CG2-CB 3.91Å; T418-I449 WeakPolarHBondContact CG2-O 3.46Å; T418-I449 PolarHBondContact N-O 2.91Å; T418-V450 WeakPolarHBondContact O-CA 3.46Å | ||
| 419 | T | 96 | Very high | 96.1 | Very high | 78 Ų | 78 | 46 Ų | 46 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | trans | -80.4 | 159.2 | 168 | 80.8 | 0 | 0 | 0 | 0 | 111 | E421 N422 L423 | T419-E421 VanDerWaalsContact C-N 3.32Å; T419-E421 VanDerWaalsContact CB-OE2 3.22Å; T419-E421 WeakPolarHBondContact CB-OE2 3.34Å; T419-E421 PolarHBondContact O-N 2.99Å; T419-E421 PolarHBondContact OG1-OE2 3.21Å; T419-N422 PolarHBondContact O-N 2.73Å; T419-N422 PolarHBondContact OG1-N 3.28Å; T419-L423 WeakPolarHBondContact O-CB 3.34Å; T419-L423 PolarHBondContact O-N 2.65Å | ||
| 420 | E | 96.8 | Very high | 95.9 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 177.4 | -168.2 | 62.9 | -154.2 | 0 | 0 | 110.9 | N422 L423 D424 R440 V450 | E420-N422 VanDerWaalsContact C-N 3.34Å; E420-N422 PolarHBondContact O-N 3.46Å; E420-L423 PolarHBondContact O-N 3.24Å; E420-D424 PolarHBondContact O-N 2.63Å; E420-R440 IonicContact OE1-CZ 3.11Å; E420-R440 IonicContact OE1-NH1 3.94Å; E420-R440 PolarHBondContact OE1-NH1 3.14Å; E420-R440 IonicContact OE1-NH2 3.83Å; E420-R440 PolarHBondContact OE1-NH2 2.73Å; E420-R440 IonicContact OE2-NH1 2.85Å; E420-R440 PolarHBondContact OE2-NH1 2.85Å; E420-V450 HydrophobicContact CB-CG1 4.27Å; E420-V450 WeakPolarHBondContact OE2-CG2 3.36Å |
| 421 | E | 96.8 | Very high | 95.7 | Very high | 127 Ų | 127 | 54.3 Ų | 54.3 | 59% | 0.593 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | -179 | -53.5 | 76.2 | -167.2 | 0 | 0 | 111.7 | T419 R425 | T419-E421 VanDerWaalsContact C-N 3.32Å; T419-E421 VanDerWaalsContact CB-OE2 3.22Å; T419-E421 WeakPolarHBondContact CB-OE2 3.34Å; T419-E421 PolarHBondContact O-N 2.99Å; T419-E421 PolarHBondContact OG1-OE2 3.21Å; E421-R425 WeakPolarHBondContact O-CB 3.39Å; E421-R425 WeakPolarHBondContact O-CD 3.42Å; E421-R425 WeakPolarHBondContact O-CG 3.45Å; E421-R425 PolarHBondContact O-N 2.93Å; E421-R425 VanDerWaalsContact O-N 3.09Å |
| 422 | N | 96.1 | Very high | 95.6 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 17% | 0.171 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.3 | -37.4 | 177.3 | -175.8 | 61.5 | 0 | 0 | 0 | 111.4 | Y411 T418 T419 E420 R425 L426 | Y411-N422 PolarHBondContact OH-ND2 3.34Å; T418-N422 WeakPolarHBondContact OG1-CB 3.11Å; T418-N422 PolarHBondContact OG1-ND2 3.25Å; T419-N422 PolarHBondContact O-N 2.73Å; T419-N422 PolarHBondContact OG1-N 3.28Å; E420-N422 VanDerWaalsContact C-N 3.34Å; E420-N422 PolarHBondContact O-N 3.46Å; N422-R425 PolarHBondContact O-N 2.98Å; N422-L426 WeakPolarHBondContact O-CG 3.29Å; N422-L426 PolarHBondContact O-N 2.87Å |
| 423 | L | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 175.5 | 179.3 | 56.4 | 0 | 0 | 0 | 111.4 | I412 T418 T419 E420 R425 L426 I427 I439 R440 I449 V450 | I412-L423 HydrophobicContact CD1-CD1 3.98Å; T418-L423 HydrophobicContact CG2-CB 3.91Å; T419-L423 WeakPolarHBondContact O-CB 3.34Å; T419-L423 PolarHBondContact O-N 2.65Å; E420-L423 PolarHBondContact O-N 3.24Å; L423-R425 VanDerWaalsContact C-N 3.29Å; L423-R425 PolarHBondContact O-N 3.47Å; L423-L426 WeakPolarHBondContact O-CB 3.4Å; L423-L426 PolarHBondContact O-N 3.45Å; L423-L426 VanDerWaalsContact O-N 3.12Å; L423-I427 HydrophobicContact CD1-CD1 3.83Å; L423-I427 HydrophobicContact CD1-CG1 4.14Å; L423-I427 HydrophobicContact CG-CD1 3.79Å; L423-I427 HydrophobicContact CG-CG1 4.5Å; L423-I427 WeakPolarHBondContact O-CG1 3.3Å; L423-I427 PolarHBondContact O-N 3.03Å; L423-I439 HydrophobicContact CD1-CG2 3.83Å; L423-R440 HydrophobicContact CD2-CG 4.18Å; L423-I449 HydrophobicContact CD2-CG2 3.92Å; L423-V450 HydrophobicContact CD2-CG2 3.78Å |
| 424 | D | 97.8 | Very high | 95.5 | Very high | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 177.7 | -76.3 | -27.2 | 0 | 0 | 0 | 111.8 | E420 L426 I427 H428 R440 | E420-D424 PolarHBondContact O-N 2.63Å; D424-L426 PolarHBondContact O-N 3.16Å; D424-I427 PolarHBondContact O-N 3.04Å; D424-H428 VanDerWaalsContact O-CB 3.3Å; D424-H428 WeakPolarHBondContact O-CB 3.4Å; D424-H428 PolarHBondContact O-N 3.28Å; D424-R440 IonicContact OD1-CZ 2.79Å; D424-R440 IonicContact OD1-NH2 3.49Å; D424-R440 PolarHBondContact OD1-NH2 2.62Å |
| 425 | R | 96.4 | Very high | 95.6 | Very high | 161 Ų | 161 | 64 Ų | 64 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 174.5 | -76.1 | 173.3 | 66.6 | -152.9 | -2.2 | 112.4 | E421 N422 L423 N429 | E421-R425 WeakPolarHBondContact O-CB 3.39Å; E421-R425 WeakPolarHBondContact O-CD 3.42Å; E421-R425 WeakPolarHBondContact O-CG 3.45Å; E421-R425 PolarHBondContact O-N 2.93Å; E421-R425 VanDerWaalsContact O-N 3.09Å; N422-R425 PolarHBondContact O-N 2.98Å; L423-R425 VanDerWaalsContact C-N 3.29Å; L423-R425 PolarHBondContact O-N 3.47Å; R425-N429 VanDerWaalsContact O-CB 3.25Å; R425-N429 WeakPolarHBondContact O-CB 3.46Å; R425-N429 PolarHBondContact O-N 2.97Å; R425-N429 PolarHBondContact O-ND2 3.5Å; R425-N429 VanDerWaalsContact O-ND2 3.13Å |
| 426 | L | 96.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 176.7 | -75.5 | 169.9 | 0 | 0 | 0 | 110.9 | M387 L390 L394 V408 Y411 N422 L423 D424 H428 N429 V430 | M387-L426 HydrophobicContact CE-CD1 4.22Å; M387-L426 HydrophobicContact CE-CD2 4.02Å; M387-L426 HydrophobicContact CE-CG 4.44Å; M387-L426 HydrophobicContact SD-CD2 4.04Å; L390-L426 HydrophobicContact CD2-CD2 4.27Å; L394-L426 HydrophobicContact CD1-CD2 3.83Å; V408-L426 HydrophobicContact CG1-CD1 4.36Å; Y411-L426 HydrophobicContact CD1-CD1 4.25Å; Y411-L426 HydrophobicContact CE1-CD1 4.06Å; N422-L426 WeakPolarHBondContact O-CG 3.29Å; N422-L426 PolarHBondContact O-N 2.87Å; L423-L426 WeakPolarHBondContact O-CB 3.4Å; L423-L426 PolarHBondContact O-N 3.45Å; L423-L426 VanDerWaalsContact O-N 3.12Å; D424-L426 PolarHBondContact O-N 3.16Å; L426-H428 VanDerWaalsContact C-N 3.32Å; L426-H428 PolarHBondContact O-N 2.98Å; L426-N429 PolarHBondContact O-N 3.2Å; L426-V430 VanDerWaalsContact O-CB 3.29Å; L426-V430 WeakPolarHBondContact O-CB 3.32Å; L426-V430 WeakPolarHBondContact O-CG2 3.46Å; L426-V430 PolarHBondContact O-N 3.29Å |
| 427 | I | 96.8 | Very high | 96 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 179.5 | -70.6 | 168.1 | 0 | 0 | 0 | 110.5 | L423 D424 K431 I432 E433 I439 | L423-I427 HydrophobicContact CD1-CD1 3.83Å; L423-I427 HydrophobicContact CD1-CG1 4.14Å; L423-I427 HydrophobicContact CG-CD1 3.79Å; L423-I427 HydrophobicContact CG-CG1 4.5Å; L423-I427 WeakPolarHBondContact O-CG1 3.3Å; L423-I427 PolarHBondContact O-N 3.03Å; D424-I427 PolarHBondContact O-N 3.04Å; I427-K431 PolarHBondContact O-N 3.35Å; I427-I432 HydrophobicContact CB-CG1 4.49Å; I427-I432 HydrophobicContact CG2-CG1 4.32Å; I427-I432 PolarHBondContact O-N 3.12Å; I427-I432 VanDerWaalsContact O-N 3.17Å; I427-E433 HydrophobicContact CG2-CB 4.43Å; I427-E433 HydrophobicContact CG2-CG 4.09Å; I427-I439 HydrophobicContact CG1-CD1 4.36Å |
| 428 | H | 96 | Very high | 96.1 | Very high | 121 Ų | 121 | 62.9 Ų | 62.9 | 56% | 0.56 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.6 | -46.7 | -178.3 | -174.8 | 57 | 0 | 0 | 0 | 113.1 | D424 L426 V430 K431 E433 | D424-H428 VanDerWaalsContact O-CB 3.3Å; D424-H428 WeakPolarHBondContact O-CB 3.4Å; D424-H428 PolarHBondContact O-N 3.28Å; L426-H428 VanDerWaalsContact C-N 3.32Å; L426-H428 PolarHBondContact O-N 2.98Å; H428-V430 VanDerWaalsContact C-N 3.25Å; H428-V430 PolarHBondContact O-N 3.36Å; H428-K431 PolarHBondContact O-N 2.84Å; H428-K431 VanDerWaalsContact O-N 3.17Å; H428-E433 WeakPolarHBondContact CA-OE1 3.45Å; H428-E433 IonicContact CE1-OE1 2.8Å; H428-E433 IonicContact CG-OE1 3.38Å; H428-E433 IonicContact ND1-OE1 3.69Å; H428-E433 PolarHBondContact ND1-OE1 2.92Å |
| 429 | N | 92.9 | Very high | 96.3 | Very high | 117 Ų | 117 | 62.1 Ų | 62.1 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.9 | -32.3 | -178.7 | -72.6 | -22.9 | 0 | 0 | 0 | 112.4 | R425 L426 | R425-N429 VanDerWaalsContact O-CB 3.25Å; R425-N429 WeakPolarHBondContact O-CB 3.46Å; R425-N429 PolarHBondContact O-N 2.97Å; R425-N429 PolarHBondContact O-ND2 3.5Å; R425-N429 VanDerWaalsContact O-ND2 3.13Å; L426-N429 PolarHBondContact O-N 3.2Å |
| 430 | V | 93.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -84.5 | -16 | 179.6 | -179.6 | 0 | 0 | 0 | 0 | 112 | L394 K404 L426 H428 I432 | L394-V430 HydrophobicContact CB-CG2 4.1Å; L394-V430 HydrophobicContact CD1-CG2 3.81Å; L394-V430 HydrophobicContact CD2-CG2 3.86Å; L394-V430 HydrophobicContact CG-CG2 4.12Å; K404-V430 HydrophobicContact CB-CG1 3.94Å; K404-V430 HydrophobicContact CD-CG1 3.83Å; K404-V430 HydrophobicContact CG-CG1 4.48Å; L426-V430 VanDerWaalsContact O-CB 3.29Å; L426-V430 WeakPolarHBondContact O-CB 3.32Å; L426-V430 WeakPolarHBondContact O-CG2 3.46Å; L426-V430 PolarHBondContact O-N 3.29Å; H428-V430 VanDerWaalsContact C-N 3.25Å; H428-V430 PolarHBondContact O-N 3.36Å; V430-I432 HydrophobicContact CB-CD1 4.29Å; V430-I432 HydrophobicContact CB-CG1 4.05Å; V430-I432 HydrophobicContact CG1-CD1 4.06Å; V430-I432 HydrophobicContact CG1-CG1 4.03Å; V430-I432 HydrophobicContact CG1-CG2 3.85Å |
| 431 | K | 93.8 | Very high | 96.4 | Very high | 162 Ų | 162 | 58 Ų | 58 | 70% | 0.704 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 50.2 | -177.7 | -54.7 | 179.3 | 177.3 | -175.3 | 0 | 113.1 | I427 H428 E433 | I427-K431 PolarHBondContact O-N 3.35Å; H428-K431 PolarHBondContact O-N 2.84Å; H428-K431 VanDerWaalsContact O-N 3.17Å; K431-E433 WeakPolarHBondContact CA-OE2 3.45Å |
| 432 | I | 94.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -121.1 | 29.9 | -179.6 | 54.3 | 167.6 | 0 | 0 | 0 | 111.5 | N401 I405 I427 V430 D434 D435 S436 I439 | N401-I432 HydrophobicContact CB-CG2 4.04Å; I405-I432 HydrophobicContact CD1-CG2 4.32Å; I405-I432 HydrophobicContact CG1-CB 4.5Å; I405-I432 HydrophobicContact CG1-CD1 3.7Å; I405-I432 HydrophobicContact CG1-CG2 4.3Å; I427-I432 HydrophobicContact CB-CG1 4.49Å; I427-I432 HydrophobicContact CG2-CG1 4.32Å; I427-I432 PolarHBondContact O-N 3.12Å; I427-I432 VanDerWaalsContact O-N 3.17Å; V430-I432 HydrophobicContact CB-CD1 4.29Å; V430-I432 HydrophobicContact CB-CG1 4.05Å; V430-I432 HydrophobicContact CG1-CD1 4.06Å; V430-I432 HydrophobicContact CG1-CG1 4.03Å; V430-I432 HydrophobicContact CG1-CG2 3.85Å; I432-D434 VanDerWaalsContact C-N 3.28Å; I432-D434 PolarHBondContact O-N 2.85Å; I432-D435 HydrophobicContact CB-CB 4.45Å; I432-D435 CarbonylContact O-C 3.52Å; I432-D435 PolarHBondContact O-N 3.27Å; I432-S436 PolarHBondContact O-N 2.99Å; I432-I439 HydrophobicContact CD1-CD1 3.77Å | ||
| 433 | E | 96.2 | Very high | 96.6 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -54 | -44.2 | 179.8 | -67.4 | 86.5 | 163.2 | 0 | 0 | 112 | I427 H428 K431 D435 S436 | I427-E433 HydrophobicContact CG2-CB 4.43Å; I427-E433 HydrophobicContact CG2-CG 4.09Å; H428-E433 WeakPolarHBondContact CA-OE1 3.45Å; H428-E433 IonicContact CE1-OE1 2.8Å; H428-E433 IonicContact CG-OE1 3.38Å; H428-E433 IonicContact ND1-OE1 3.69Å; H428-E433 PolarHBondContact ND1-OE1 2.92Å; K431-E433 WeakPolarHBondContact CA-OE2 3.45Å; E433-D435 PolarHBondContact O-N 2.87Å; E433-S436 VanDerWaalsContact O-CB 3.29Å; E433-S436 WeakPolarHBondContact O-CB 3.48Å; E433-S436 PolarHBondContact O-N 2.83Å; E433-S436 PolarHBondContact O-OG 2.84Å |
| 434 | D | 95.4 | Very high | 96.6 | Very high | 142 Ų | 142 | 56.1 Ų | 56.1 | 76% | 0.759 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -67.6 | -17.7 | 179.5 | -64.6 | -28.1 | 0 | 0 | 0 | 113.8 | I432 K578 | I432-D434 VanDerWaalsContact C-N 3.28Å; I432-D434 PolarHBondContact O-N 2.85Å; D434-K578 WeakPolarHBondContact O-CE 3.42Å; D434-K578 PolarHBondContact O-NZ 3.27Å |
| 435 | D | 96.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.171 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -110.5 | 7 | 179.7 | -65.4 | -47.3 | 0 | 0 | 0 | 112.1 | I405 I432 E433 D437 M438 K578 | I405-D435 HydrophobicContact CD1-CB 3.65Å; I432-D435 HydrophobicContact CB-CB 4.45Å; I432-D435 CarbonylContact O-C 3.52Å; I432-D435 PolarHBondContact O-N 3.27Å; E433-D435 PolarHBondContact O-N 2.87Å; D435-D437 PolarHBondContact O-N 3.4Å; D435-D437 VanDerWaalsContact O-N 3.11Å; D435-M438 HydrophobicContact CB-CG 4.44Å; D435-M438 HydrophobicContact CB-SD 4.13Å; D435-M438 WeakPolarHBondContact O-CB 2.93Å; D435-M438 PolarHBondContact O-N 3.18Å; D435-K578 IonicContact OD1-NZ 2.81Å; D435-K578 PolarHBondContact OD1-NZ 3.04Å |
| 436 | S | 97.2 | Very high | 96.6 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.3 | -177.6 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | I432 E433 M438 I439 R440 | I432-S436 PolarHBondContact O-N 2.99Å; E433-S436 VanDerWaalsContact O-CB 3.29Å; E433-S436 WeakPolarHBondContact O-CB 3.48Å; E433-S436 PolarHBondContact O-N 2.83Å; E433-S436 PolarHBondContact O-OG 2.84Å; S436-M438 PolarHBondContact O-N 3.47Å; S436-I439 PolarHBondContact O-N 2.81Å; S436-R440 PolarHBondContact O-N 3.08Å |
| 437 | D | 97.9 | Very high | 96.6 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.9 | -31.3 | 172.7 | -73.1 | -37.2 | 0 | 0 | 0 | 112.7 | D435 I439 N441 K578 N581 K582 | D435-D437 PolarHBondContact O-N 3.4Å; D435-D437 VanDerWaalsContact O-N 3.11Å; D437-I439 PolarHBondContact O-N 3.07Å; D437-N441 VanDerWaalsContact O-CB 3.23Å; D437-N441 WeakPolarHBondContact O-CB 3.38Å; D437-N441 VanDerWaalsContact O-CG 3.31Å; D437-N441 PolarHBondContact O-N 2.89Å; D437-N441 VanDerWaalsContact O-N 3.13Å; D437-N441 PolarHBondContact O-ND2 3.41Å; D437-K578 HydrophobicContact CB-CG 3.88Å; D437-N581 PolarHBondContact OD1-ND2 3.33Å; D437-K582 WeakPolarHBondContact OD2-CE 3.5Å; D437-K582 IonicContact OD2-NZ 3.46Å; D437-K582 PolarHBondContact OD2-NZ 3.39Å |
| 438 | M | 98.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.069 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -20.7 | 175 | -66 | -174.1 | 167.6 | 0 | 0 | 112.4 | I405 D435 S436 W442 L574 D575 K578 | I405-M438 HydrophobicContact CD1-SD 3.85Å; I405-M438 HydrophobicContact CG2-CB 4.18Å; D435-M438 HydrophobicContact CB-CG 4.44Å; D435-M438 HydrophobicContact CB-SD 4.13Å; D435-M438 WeakPolarHBondContact O-CB 2.93Å; D435-M438 PolarHBondContact O-N 3.18Å; S436-M438 PolarHBondContact O-N 3.47Å; M438-W442 PolarHBondContact O-NE1 3.35Å; M438-L574 HydrophobicContact CB-CD2 4.48Å; M438-L574 HydrophobicContact CE-CB 4.32Å; M438-L574 HydrophobicContact CG-CB 4.4Å; M438-L574 HydrophobicContact SD-CB 3.97Å; M438-D575 WeakPolarHBondContact CE-OD1 3.45Å; M438-K578 HydrophobicContact CE-CB 4.35Å; M438-K578 HydrophobicContact CE-CD 3.8Å; M438-K578 HydrophobicContact CG-CB 3.75Å; M438-K578 HydrophobicContact CG-CD 4.08Å; M438-K578 HydrophobicContact CG-CG 3.97Å |
| 439 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -99.1 | -51.2 | 178.2 | -59.7 | 168.2 | 0 | 0 | 0 | 110.7 | I405 V408 L409 I412 L423 I427 I432 S436 D437 N441 I449 | I405-I439 HydrophobicContact CG2-CG1 4.09Å; V408-I439 HydrophobicContact CB-CD1 4.49Å; V408-I439 HydrophobicContact CG1-CD1 3.92Å; L409-I439 HydrophobicContact CD2-CB 4.3Å; L409-I439 HydrophobicContact CD2-CG1 4.22Å; L409-I439 HydrophobicContact CD2-CG2 4.05Å; L409-I439 HydrophobicContact CG-CG1 4.38Å; I412-I439 HydrophobicContact CD1-CG2 3.67Å; L423-I439 HydrophobicContact CD1-CG2 3.83Å; I427-I439 HydrophobicContact CG1-CD1 4.36Å; I432-I439 HydrophobicContact CD1-CD1 3.77Å; S436-I439 PolarHBondContact O-N 2.81Å; D437-I439 PolarHBondContact O-N 3.07Å; I439-N441 PolarHBondContact O-N 3.41Å; I439-I449 HydrophobicContact CG2-CG2 4.28Å |
| 440 | R | 98.3 | Very high | 96.9 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 22% | 0.223 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.3 | -36.6 | -171.7 | -67.5 | 175.7 | 173.3 | -77.3 | 3 | 113.2 | E420 L423 D424 S436 W442 S443 | E420-R440 IonicContact OE1-CZ 3.11Å; E420-R440 IonicContact OE1-NH1 3.94Å; E420-R440 PolarHBondContact OE1-NH1 3.14Å; E420-R440 IonicContact OE1-NH2 3.83Å; E420-R440 PolarHBondContact OE1-NH2 2.73Å; E420-R440 IonicContact OE2-NH1 2.85Å; E420-R440 PolarHBondContact OE2-NH1 2.85Å; L423-R440 HydrophobicContact CD2-CG 4.18Å; D424-R440 IonicContact OD1-CZ 2.79Å; D424-R440 IonicContact OD1-NH2 3.49Å; D424-R440 PolarHBondContact OD1-NH2 2.62Å; S436-R440 PolarHBondContact O-N 3.08Å; R440-W442 PolarHBondContact O-N 3.36Å; R440-S443 WeakPolarHBondContact O-CB 3.48Å; R440-S443 PolarHBondContact O-N 3Å; R440-S443 PolarHBondContact O-OG 3.34Å |
| 441 | N | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -72.3 | -10.1 | -173.5 | -69.1 | -11.8 | 0 | 0 | 0 | 113.9 | D437 I439 S443 H444 I577 L580 N581 | D437-N441 VanDerWaalsContact O-CB 3.23Å; D437-N441 WeakPolarHBondContact O-CB 3.38Å; D437-N441 VanDerWaalsContact O-CG 3.31Å; D437-N441 PolarHBondContact O-N 2.89Å; D437-N441 VanDerWaalsContact O-N 3.13Å; D437-N441 PolarHBondContact O-ND2 3.41Å; I439-N441 PolarHBondContact O-N 3.41Å; N441-S443 PolarHBondContact O-N 3.09Å; N441-H444 VanDerWaalsContact O-CB 3.32Å; N441-H444 WeakPolarHBondContact O-CB 3.27Å; N441-H444 PolarHBondContact O-N 3.09Å; N441-I577 HydrophobicContact CB-CG2 3.72Å; N441-I577 VanDerWaalsContact CB-O 3.3Å; N441-I577 WeakPolarHBondContact CB-O 3.34Å; N441-I577 PolarHBondContact ND2-O 3.07Å; N441-L580 HydrophobicContact CB-CB 4.3Å; N441-L580 HydrophobicContact CB-CD1 4.27Å; N441-N581 VanDerWaalsContact ND2-CG 3.31Å; N441-N581 PolarHBondContact ND2-OD1 3.02Å; N441-N581 VanDerWaalsContact ND2-OD1 3.1Å; N441-N581 PolarHBondContact OD1-ND2 3.35Å |
| 442 | W | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -57.1 | -26.6 | 168.9 | -82.3 | 94.9 | 0 | 0 | 0 | 113.1 | P244 T247 V248 L409 F413 M438 R440 H444 L445 V447 I449 L573 I577 | P244-W442 HydrophobicContact CB-CE3 3.9Å; P244-W442 HydrophobicContact CB-CH2 4.11Å; P244-W442 HydrophobicContact CB-CZ3 3.49Å; P244-W442 VanDerWaalsContact CB-CZ3 3.49Å; T247-W442 VanDerWaalsContact OG1-CH2 3.22Å; T247-W442 WeakPolarHBondContact OG1-CH2 3.48Å; V248-W442 HydrophobicContact CG1-CZ2 3.91Å; L409-W442 VanDerWaalsContact CD2-CD1 3.49Å; L409-W442 HydrophobicContact CD2-CG 4.3Å; F413-W442 HydrophobicContact CE1-CD2 4.25Å; F413-W442 HydrophobicContact CE1-CE3 4.47Å; F413-W442 HydrophobicContact CE1-CG 4.35Å; F413-W442 AromaticContact CZ-CD2 3.71Å; F413-W442 HydrophobicContact CZ-CD2 3.71Å; F413-W442 AromaticContact CZ-CE2 3.77Å; F413-W442 HydrophobicContact CZ-CE3 4.02Å; F413-W442 HydrophobicContact CZ-CG 4.13Å; F413-W442 HydrophobicContact CZ-CH2 4.44Å; F413-W442 HydrophobicContact CZ-CZ2 4.14Å; F413-W442 HydrophobicContact CZ-CZ3 4.37Å; M438-W442 PolarHBondContact O-NE1 3.35Å; R440-W442 PolarHBondContact O-N 3.36Å; W442-H444 PolarHBondContact O-N 3.34Å; W442-L445 HydrophobicContact CE3-CD2 4.07Å; W442-L445 HydrophobicContact CZ3-CD2 3.97Å; W442-L445 WeakPolarHBondContact O-CA 3.38Å; W442-L445 WeakPolarHBondContact O-CB 3.43Å; W442-L445 PolarHBondContact O-N 2.9Å; W442-V447 HydrophobicContact CB-CB 4.31Å; W442-V447 HydrophobicContact CE3-CB 4.27Å; W442-V447 HydrophobicContact CE3-CG2 3.92Å; W442-V447 HydrophobicContact CZ3-CG2 4.45Å; W442-V447 WeakPolarHBondContact O-CB 3.29Å; W442-V447 PolarHBondContact O-N 3.47Å; W442-I449 HydrophobicContact CB-CD1 3.64Å; W442-I449 HydrophobicContact CB-CG1 3.73Å; W442-I449 HydrophobicContact CG-CD1 4.37Å; W442-L573 HydrophobicContact CH2-CD2 3.84Å; W442-L573 HydrophobicContact CZ2-CD2 4.06Å; W442-I577 HydrophobicContact CD2-CD1 3.72Å; W442-I577 HydrophobicContact CE3-CD1 4.23Å; W442-I577 HydrophobicContact CG-CD1 4.28Å; W442-I577 HydrophobicContact CH2-CD1 3.8Å; W442-I577 HydrophobicContact CZ2-CD1 3.25Å; W442-I577 HydrophobicContact CZ3-CD1 4.27Å |
| 443 | S | 97.7 | Very high | 96.4 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -56.6 | -32 | 171.9 | 61.1 | 0 | 0 | 0 | 0 | 113 | R440 N441 L445 G446 V447 | R440-S443 WeakPolarHBondContact O-CB 3.48Å; R440-S443 PolarHBondContact O-N 3Å; R440-S443 PolarHBondContact O-OG 3.34Å; N441-S443 PolarHBondContact O-N 3.09Å; S443-L445 PolarHBondContact O-N 3.21Å; S443-G446 PolarHBondContact O-N 2.95Å; S443-V447 WeakPolarHBondContact CA-O 3.24Å |
| 444 | H | 97.9 | Very high | 95.6 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 27% | 0.269 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -72.1 | -18.2 | 176.2 | -58.3 | -46.4 | 0 | 0 | 0 | 113.6 | Y160 N441 W442 L580 | Y160-H444 WeakPolarHBondContact O-CB 3.47Å; N441-H444 VanDerWaalsContact O-CB 3.32Å; N441-H444 WeakPolarHBondContact O-CB 3.27Å; N441-H444 PolarHBondContact O-N 3.09Å; W442-H444 PolarHBondContact O-N 3.34Å; H444-L580 HydrophobicContact CB-CD1 4.44Å |
| 445 | L | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -86.7 | 5 | 170.3 | -76.2 | 70.2 | 0 | 0 | 0 | 111.7 | F156 Y160 R240 W442 S443 V447 L580 | F156-L445 HydrophobicContact CE2-CD2 4.06Å; F156-L445 HydrophobicContact CZ-CD1 4.18Å; F156-L445 HydrophobicContact CZ-CD2 4.03Å; Y160-L445 HydrophobicContact CD1-CD1 4.45Å; Y160-L445 HydrophobicContact CD1-CG 4.06Å; Y160-L445 HydrophobicContact CD2-CG 4.37Å; Y160-L445 HydrophobicContact CE1-CG 4.42Å; Y160-L445 HydrophobicContact CG-CD1 4.14Å; Y160-L445 HydrophobicContact CG-CG 4.07Å; R240-L445 HydrophobicContact CB-CD2 4.22Å; R240-L445 HydrophobicContact CG-CD2 4.16Å; W442-L445 HydrophobicContact CE3-CD2 4.07Å; W442-L445 HydrophobicContact CZ3-CD2 3.97Å; W442-L445 WeakPolarHBondContact O-CA 3.38Å; W442-L445 WeakPolarHBondContact O-CB 3.43Å; W442-L445 PolarHBondContact O-N 2.9Å; S443-L445 PolarHBondContact O-N 3.21Å; L445-V447 VanDerWaalsContact C-N 3.3Å; L445-V447 HydrophobicContact CB-CG2 4.28Å; L445-L580 HydrophobicContact CD1-CD1 3.5Å; L445-L580 VanDerWaalsContact CD1-CD1 3.5Å |
| 446 | G | 96.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 27% | 0.268 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 16.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P200 S443 | P200-G446 WeakPolarHBondContact CG-O 3.26Å; S443-G446 PolarHBondContact O-N 2.95Å |
| 447 | V | 96.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | trans | -92.2 | 126.3 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | G241 P244 F413 W442 S443 L445 I449 | G241-V447 WeakPolarHBondContact O-CG2 3.32Å; P244-V447 HydrophobicContact CB-CG1 4.05Å; P244-V447 HydrophobicContact CB-CG2 4.01Å; P244-V447 HydrophobicContact CG-CG1 3.87Å; P244-V447 HydrophobicContact CG-CG2 4.11Å; F413-V447 HydrophobicContact CD1-CG1 3.75Å; F413-V447 HydrophobicContact CE1-CG1 3.54Å; F413-V447 HydrophobicContact CZ-CG1 4.49Å; W442-V447 HydrophobicContact CB-CB 4.31Å; W442-V447 HydrophobicContact CE3-CB 4.27Å; W442-V447 HydrophobicContact CE3-CG2 3.92Å; W442-V447 HydrophobicContact CZ3-CG2 4.45Å; W442-V447 WeakPolarHBondContact O-CB 3.29Å; W442-V447 PolarHBondContact O-N 3.47Å; S443-V447 WeakPolarHBondContact CA-O 3.24Å; L445-V447 VanDerWaalsContact C-N 3.3Å; L445-V447 HydrophobicContact CB-CG2 4.28Å; V447-I449 PolarHBondContact O-N 3.47Å | ||
| 448 | P | 95.9 | Very high | 93 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | trans | -70 | 113.7 | -177.2 | 26.8 | -33.2 | 0 | 0 | 0 | 111.5 | N416 P451 | N416-P448 WeakPolarHBondContact OD1-CG 3.08Å; P448-P451 HydrophobicContact CB-CB 3.95Å; P448-P451 HydrophobicContact CB-CG 4.08Å | ||
| 449 | I | 97.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -101.9 | -58.1 | 173.3 | -58.2 | -59 | 0 | 0 | 0 | 110.6 | I412 F413 G417 T418 L423 I439 W442 V447 P451 | I412-I449 HydrophobicContact CG2-CD1 3.84Å; F413-I449 HydrophobicContact CE1-CD1 3.94Å; G417-I449 CarbonylContact C-O 3.58Å; G417-I449 WeakPolarHBondContact CA-O 3.28Å; T418-I449 WeakPolarHBondContact CG2-O 3.46Å; T418-I449 PolarHBondContact N-O 2.91Å; L423-I449 HydrophobicContact CD2-CG2 3.92Å; I439-I449 HydrophobicContact CG2-CG2 4.28Å; W442-I449 HydrophobicContact CB-CD1 3.64Å; W442-I449 HydrophobicContact CB-CG1 3.73Å; W442-I449 HydrophobicContact CG-CD1 4.37Å; V447-I449 PolarHBondContact O-N 3.47Å; I449-P451 VanDerWaalsContact C-CD 3.49Å; I449-P451 WeakPolarHBondContact O-CD 3.49Å |
| 450 | V | 97.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -122.6 | 73.5 | 170.9 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | T418 E420 L423 | T418-V450 WeakPolarHBondContact O-CA 3.46Å; E420-V450 HydrophobicContact CB-CG1 4.27Å; E420-V450 WeakPolarHBondContact OE2-CG2 3.36Å; L423-V450 HydrophobicContact CD2-CG2 3.78Å |
| 451 | P | 94.2 | Very high | 92 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | trans | -70.9 | 146.4 | -177 | 31.7 | -35.9 | 0 | 0 | 0 | 110.7 | P448 I449 S453 | P448-P451 HydrophobicContact CB-CB 3.95Å; P448-P451 HydrophobicContact CB-CG 4.08Å; I449-P451 VanDerWaalsContact C-CD 3.49Å; I449-P451 WeakPolarHBondContact O-CD 3.49Å; P451-S453 WeakPolarHBondContact CB-O 3.43Å; P451-S453 PolarHBondContact O-N 3.23Å | ||
| 452 | P | 89.4 | Confident | 91.6 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 87% | 0.87 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -68.3 | -20.7 | 179.2 | 28.2 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 453 | S | 88.2 | Confident | 91.3 | Very high | 74 Ų | 74 | 70.3 Ų | 70.3 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -148 | 153.1 | 175.6 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | P451 Q455 | P451-S453 WeakPolarHBondContact CB-O 3.43Å; P451-S453 PolarHBondContact O-N 3.23Å; S453-Q455 PolarHBondContact O-N 3.17Å |
| 454 | Q | 80.8 | Confident | 90.8 | Very high | 199 Ų | 199 | 70.6 Ų | 70.6 | 93% | 0.93 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 121.5 | 177.2 | -72 | -178.6 | -3.1 | 0 | 0 | 110.1 | ||
| 455 | Q | 80.3 | Confident | 90.3 | Very high | 112 Ų | 112 | 72.7 Ų | 72.7 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 148.5 | 174.5 | -65.4 | -177.4 | 1 | 0 | 0 | 110 | N416 S453 | N416-Q455 PolarHBondContact ND2-O 2.93Å; S453-Q455 PolarHBondContact O-N 3.17Å |
| 456 | A | 83.2 | Confident | 89.7 | Confident | 96 Ų | 96 | 77.8 Ų | 77.8 | 79% | 0.793 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 142.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 457 | K | 84.1 | Confident | 89.2 | Confident | 100 Ų | 100 | 80 Ų | 80 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 148.2 | 173 | -69.9 | -178.2 | 179.6 | -179 | 0 | 110.6 | G414 N416 | G414-K457 WeakPolarHBondContact O-CE 3.29Å; G414-K457 PolarHBondContact O-NZ 3.47Å; N416-K457 HydrophobicContact CB-CG 3.84Å |
| 458 | P | 83.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 85.1 Ų | 85.1 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 136.2 | 167.1 | -21.9 | 32.9 | 0 | 0 | 0 | 110.6 | F477 | P458-F477 HydrophobicContact CB-CE1 4.03Å; P458-F477 HydrophobicContact CB-CZ 4.45Å |
| 459 | P | 88.4 | Confident | 88.7 | Confident | 122 Ų | 122 | 87 Ų | 87 | 79% | 0.792 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 149 | 174.6 | 29 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 460 | R | 91.6 | Very high | 88.5 | Confident | 77 Ų | 77 | 92.9 Ų | 92.9 | 29% | 0.291 | 52% | 0.524 | S | S | . | . | trans | -122.6 | 151.1 | 173 | -70.8 | 179.4 | 72.3 | -118.6 | -2.2 | 109.2 | L374 W474 T475 F477 | L374-R460 VanDerWaalsContact CD2-NH1 3.25Å; R460-W474 VanDerWaalsContact CZ-CZ3 3.5Å; R460-T475 PolarHBondContact NH2-O 3.25Å; R460-F477 HydrophobicContact CB-CE1 4.46Å; R460-F477 HydrophobicContact CG-CD1 3.79Å; R460-F477 HydrophobicContact CG-CE1 3.1Å; R460-F477 HydrophobicContact CG-CE2 4.19Å; R460-F477 HydrophobicContact CG-CZ 3.36Å | ||
| 461 | K | 94 | Very high | 88.4 | Confident | 61 Ų | 61 | 92.1 Ų | 92.1 | 27% | 0.265 | 52% | 0.517 | S | S | . | . | trans | -66 | 141.2 | 169.6 | -66.4 | -176.8 | -175.9 | -179.2 | 0 | 109.9 | R463 D480 E483 D484 | K461-R463 PolarHBondContact O-N 3.04Å; K461-D480 HydrophobicContact CD-CB 4.18Å; K461-D480 HydrophobicContact CG-CB 4.24Å; K461-D480 PolarHBondContact N-OD2 3.41Å; K461-E483 WeakPolarHBondContact CD-OE2 3.47Å; K461-E483 VanDerWaalsContact NZ-CB 3.31Å; K461-E483 IonicContact NZ-OE2 3.68Å; K461-E483 PolarHBondContact NZ-OE2 2.68Å; K461-D484 WeakPolarHBondContact CE-OD1 3.28Å; K461-D484 IonicContact NZ-OD1 2.63Å; K461-D484 PolarHBondContact NZ-OD1 3.41Å | ||
| 462 | D | 91 | Very high | 88.5 | Confident | 136 Ų | 136 | 92.1 Ų | 92.1 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | trans | -72.4 | 120.7 | 169.9 | -178 | 6.7 | 0 | 0 | 0 | 108.9 | S464 | D462-S464 VanDerWaalsContact OD1-CB 3.27Å; D462-S464 WeakPolarHBondContact OD1-CB 3.46Å; D462-S464 PolarHBondContact OD1-N 2.89Å; D462-S464 PolarHBondContact OD1-OG 2.98Å; D462-S464 PolarHBondContact OD2-OG 3.01Å | ||
| 463 | R | 92.5 | Very high | 88.8 | Confident | 15 Ų | 15 | 86.2 Ų | 86.2 | 6% | 0.057 | 48% | 0.479 | C | S | . | . | trans | -121.7 | 14.7 | -179 | -64.6 | -176.4 | 178 | -84.2 | 1.7 | 112.2 | K461 A465 E466 T475 D480 E483 | K461-R463 PolarHBondContact O-N 3.04Å; R463-A465 PolarHBondContact O-N 2.96Å; R463-A465 VanDerWaalsContact O-N 3.09Å; R463-E466 IonicContact NH1-OE1 3.88Å; R463-E466 PolarHBondContact NH1-OE1 3.42Å; R463-E466 IonicContact NH1-OE2 3.51Å; R463-E466 PolarHBondContact NH1-OE2 3.43Å; R463-E466 WeakPolarHBondContact O-CB 3.47Å; R463-E466 PolarHBondContact O-N 2.95Å; R463-T475 WeakPolarHBondContact CD-OG1 3.38Å; R463-D480 IonicContact CZ-OD1 3.34Å; R463-D480 VanDerWaalsContact CZ-OD1 3.29Å; R463-D480 IonicContact NE-OD1 3.98Å; R463-D480 PolarHBondContact NE-OD1 2.94Å; R463-D480 IonicContact NH2-OD1 3.25Å; R463-D480 PolarHBondContact NH2-OD1 3.46Å; R463-E483 IonicContact CZ-OE1 2.71Å; R463-E483 IonicContact CZ-OE2 3.72Å; R463-E483 IonicContact NH1-OE1 3.22Å; R463-E483 PolarHBondContact NH1-OE1 3.49Å; R463-E483 IonicContact NH2-OE1 3.3Å; R463-E483 PolarHBondContact NH2-OE1 3.29Å; R463-E483 IonicContact NH2-OE2 3.6Å; R463-E483 PolarHBondContact NH2-OE2 3.35Å | ||
| 464 | S | 86.5 | Confident | 89.2 | Confident | 66 Ų | 66 | 83.6 Ų | 83.6 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -53.6 | -33.3 | -178.5 | 53 | 0 | 0 | 0 | 0 | 113.3 | D462 E466 E467 | D462-S464 VanDerWaalsContact OD1-CB 3.27Å; D462-S464 WeakPolarHBondContact OD1-CB 3.46Å; D462-S464 PolarHBondContact OD1-N 2.89Å; D462-S464 PolarHBondContact OD1-OG 2.98Å; D462-S464 PolarHBondContact OD2-OG 3.01Å; S464-E466 VanDerWaalsContact C-N 3.31Å; S464-E466 PolarHBondContact O-N 3.41Å; S464-E467 PolarHBondContact O-N 3.46Å |
| 465 | A | 87 | Confident | 90 | Very high | 102 Ų | 102 | 75.1 Ų | 75.1 | 84% | 0.843 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -72.2 | -18.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R463 | R463-A465 PolarHBondContact O-N 2.96Å; R463-A465 VanDerWaalsContact O-N 3.09Å |
| 466 | E | 86.4 | Confident | 90.8 | Very high | 108 Ų | 108 | 69.8 Ų | 69.8 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -90.7 | -11.3 | 177.9 | -62.2 | 174.5 | -156.3 | 0 | 0 | 112.1 | R463 S464 T468 K479 | R463-E466 IonicContact NH1-OE1 3.88Å; R463-E466 PolarHBondContact NH1-OE1 3.42Å; R463-E466 IonicContact NH1-OE2 3.51Å; R463-E466 PolarHBondContact NH1-OE2 3.43Å; R463-E466 WeakPolarHBondContact O-CB 3.47Å; R463-E466 PolarHBondContact O-N 2.95Å; S464-E466 VanDerWaalsContact C-N 3.31Å; S464-E466 PolarHBondContact O-N 3.41Å; E466-T468 PolarHBondContact O-N 2.94Å; E466-K479 IonicContact OE2-NZ 2.81Å |
| 467 | E | 84.9 | Confident | 91.5 | Very high | 73 Ų | 73 | 66.7 Ų | 66.7 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | trans | -69.7 | 113.8 | -175.5 | -66.4 | 178.8 | -167.8 | 0 | 0 | 111.3 | S464 R473 | S464-E467 PolarHBondContact O-N 3.46Å; E467-R473 HydrophobicContact CG-CB 4.19Å; E467-R473 HydrophobicContact CG-CG 4.23Å; E467-R473 VanDerWaalsContact OE2-CD 3.23Å; E467-R473 WeakPolarHBondContact OE2-CD 3.44Å | ||
| 468 | T | 88.8 | Confident | 92.1 | Very high | 115 Ų | 115 | 61.9 Ų | 61.9 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | trans | -107.9 | -24.7 | 179.1 | 45.6 | 0 | 0 | 0 | 0 | 112.9 | E466 | E466-T468 PolarHBondContact O-N 2.94Š| ||
| 469 | F | 93.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -127.9 | 124.3 | -176.7 | -59.7 | -77.7 | 0 | 0 | 0 | 110.5 | H296 A298 V299 L471 S472 R473 | H296-F469 HydrophobicContact CB-CD2 4.1Å; H296-F469 HydrophobicContact CB-CE2 3.64Å; H296-F469 HydrophobicContact CB-CZ 4.16Å; H296-F469 AromaticContact CD2-CD2 3.77Å; H296-F469 AromaticContact CE1-CD1 3.64Å; H296-F469 AromaticContact CE1-CE1 3.95Å; H296-F469 AromaticContact CE1-CG 3.7Å; H296-F469 AromaticContact CG-CD2 3.64Å; H296-F469 AromaticContact CG-CE2 3.57Å; H296-F469 AromaticContact CG-CZ 3.96Å; H296-F469 AromaticContact ND1-CD1 3.79Å; H296-F469 AromaticContact ND1-CD2 3.81Å; H296-F469 AromaticContact ND1-CE1 3.65Å; H296-F469 AromaticContact ND1-CE2 3.68Å; H296-F469 AromaticContact ND1-CG 3.87Å; H296-F469 AromaticContact ND1-CZ 3.6Å; H296-F469 AromaticContact NE2-CG 3.8Å; A298-F469 HydrophobicContact CB-CE1 3.82Å; A298-F469 HydrophobicContact CB-CZ 4.26Å; V299-F469 HydrophobicContact CG2-CZ 4.06Å; F469-L471 PolarHBondContact O-N 3.1Å; F469-S472 CarbonylContact O-C 3.57Å; F469-S472 PolarHBondContact O-N 2.98Å; F469-R473 WeakPolarHBondContact O-CG 3.42Å |
| 470 | Q | 93.1 | Very high | 93.3 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 61% | 0.607 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.2 | -178.2 | -67.6 | -177.5 | -28.1 | 0 | 0 | 113.6 | A378 R473 | A378-Q470 HydrophobicContact CB-CB 4.22Å; A378-Q470 HydrophobicContact CB-CG 4.15Å; Q470-R473 WeakPolarHBondContact O-CD 3.36Å; Q470-R473 WeakPolarHBondContact O-CG 3.37Å; Q470-R473 PolarHBondContact O-NE 3.47Å; Q470-R473 VanDerWaalsContact O-NE 3.08Å |
| 471 | L | 95.5 | Very high | 93.6 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 7.2 | 179 | -57.6 | -178 | 0 | 0 | 0 | 113.4 | L252 F358 E363 C366 K367 F469 | L252-L471 HydrophobicContact CD1-CB 3.86Å; F358-L471 HydrophobicContact CZ-CD1 3.81Å; E363-L471 HydrophobicContact CG-CD1 4.15Å; C366-L471 HydrophobicContact CB-CB 4.45Å; K367-L471 HydrophobicContact CB-CD2 3.74Å; K367-L471 HydrophobicContact CG-CD2 4.36Å; F469-L471 PolarHBondContact O-N 3.1Å |
| 472 | S | 95.8 | Very high | 93.7 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -147.9 | 71.2 | -179.8 | -69.4 | 0 | 0 | 0 | 0 | 110.3 | L252 H296 F469 | L252-S472 WeakPolarHBondContact CB-OG 3.21Å; L252-S472 WeakPolarHBondContact CG-OG 3.46Å; H296-S472 PolarHBondContact NE2-OG 3.31Å; F469-S472 CarbonylContact O-C 3.57Å; F469-S472 PolarHBondContact O-N 2.98Å |
| 473 | R | 95.7 | Very high | 94 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 3% | 0.034 | 24% | 0.237 | C | C | . | . | trans | -107.5 | -27.6 | -176.3 | -60.2 | -175.4 | -69.4 | 146.8 | -0.4 | 111.8 | D371 L374 T376 D377 E467 F469 Q470 T475 | D371-R473 IonicContact OD1-NH2 2.76Å; D371-R473 PolarHBondContact OD1-NH2 3.16Å; L374-R473 HydrophobicContact CD1-CB 3.44Å; L374-R473 VanDerWaalsContact CD1-CB 3.44Å; T376-R473 PolarHBondContact O-NH2 3.41Å; D377-R473 VanDerWaalsContact C-NH2 3.3Å; D377-R473 PolarHBondContact O-NH1 3.01Å; E467-R473 HydrophobicContact CG-CB 4.19Å; E467-R473 HydrophobicContact CG-CG 4.23Å; E467-R473 VanDerWaalsContact OE2-CD 3.23Å; E467-R473 WeakPolarHBondContact OE2-CD 3.44Å; F469-R473 WeakPolarHBondContact O-CG 3.42Å; Q470-R473 WeakPolarHBondContact O-CD 3.36Å; Q470-R473 WeakPolarHBondContact O-CG 3.37Å; Q470-R473 PolarHBondContact O-NE 3.47Å; Q470-R473 VanDerWaalsContact O-NE 3.08Å; R473-T475 PolarHBondContact O-N 3.37Å | ||
| 474 | W | 96.2 | Very high | 94.2 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 8% | 0.076 | 24% | 0.244 | C | C | . | . | trans | -61.1 | 134.1 | 175.4 | -176.4 | -100.3 | 0 | 0 | 0 | 111.9 | V245 S246 L249 A373 L374 R460 F477 | V245-W474 HydrophobicContact CB-CH2 3.78Å; V245-W474 HydrophobicContact CB-CZ2 3.46Å; V245-W474 VanDerWaalsContact CB-CZ2 3.46Å; V245-W474 HydrophobicContact CG1-CD2 3.72Å; V245-W474 VanDerWaalsContact CG1-CE2 3.42Å; V245-W474 HydrophobicContact CG1-CE3 3.97Å; V245-W474 HydrophobicContact CG1-CG 4.42Å; V245-W474 HydrophobicContact CG1-CH2 3.68Å; V245-W474 HydrophobicContact CG1-CZ2 3.42Å; V245-W474 VanDerWaalsContact CG1-CZ2 3.42Å; V245-W474 HydrophobicContact CG1-CZ3 3.94Å; V245-W474 HydrophobicContact CG2-CH2 4.01Å; V245-W474 HydrophobicContact CG2-CZ2 4.18Å; S246-W474 PolarHBondContact OG-NE1 3.4Å; L249-W474 HydrophobicContact CD1-CB 4.39Å; L249-W474 HydrophobicContact CD2-CB 3.66Å; L249-W474 HydrophobicContact CD2-CG 3.85Å; A373-W474 HydrophobicContact CB-CD2 4.3Å; A373-W474 HydrophobicContact CB-CE3 3.71Å; A373-W474 HydrophobicContact CB-CZ3 4.13Å; A373-W474 WeakPolarHBondContact O-CZ3 3.17Å; L374-W474 HydrophobicContact CD2-CE3 3.81Å; L374-W474 HydrophobicContact CD2-CZ3 4.29Å; L374-W474 HydrophobicContact CG-CE3 4.35Å; R460-W474 VanDerWaalsContact CZ-CZ3 3.5Å; W474-F477 HydrophobicContact CH2-CD2 4.06Å; W474-F477 AromaticContact CH2-CE2 3.56Å; W474-F477 HydrophobicContact CH2-CE2 3.56Å; W474-F477 HydrophobicContact CH2-CZ 4.41Å; W474-F477 AromaticContact CZ2-CD2 3.77Å; W474-F477 HydrophobicContact CZ2-CD2 3.77Å; W474-F477 AromaticContact CZ2-CE2 3.74Å; W474-F477 HydrophobicContact CZ2-CE2 3.74Å | ||
| 475 | T | 97 | Very high | 94.6 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | trans | -121.7 | 125.9 | 171.6 | -63 | 0 | 0 | 0 | 0 | 108.3 | R460 R463 R473 K479 | R460-T475 PolarHBondContact NH2-O 3.25Å; R463-T475 WeakPolarHBondContact CD-OG1 3.38Å; R473-T475 PolarHBondContact O-N 3.37Å; T475-K479 HydrophobicContact CG2-CB 4Å; T475-K479 HydrophobicContact CG2-CD 3.57Å; T475-K479 HydrophobicContact CG2-CG 4.38Å | ||
| 476 | P | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -54.7 | 138.9 | 178.4 | -27.9 | 35.2 | 0 | 0 | 0 | 113.3 | D243 S246 I478 K479 E544 | D243-P476 WeakPolarHBondContact OD2-CA 3.45Å; S246-P476 VanDerWaalsContact OG-CA 3.27Å; S246-P476 WeakPolarHBondContact OG-CA 3.31Å; S246-P476 WeakPolarHBondContact OG-CB 3.34Å; P476-I478 HydrophobicContact CB-CG2 4.26Å; P476-I478 PolarHBondContact O-N 3.19Å; P476-I478 VanDerWaalsContact O-N 3.11Å; P476-K479 WeakPolarHBondContact O-CB 3.48Å; P476-K479 PolarHBondContact O-N 3.3Å; P476-E544 HydrophobicContact CB-CG 4.24Å | ||
| 477 | F | 97.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -28.2 | 180 | -84.4 | -91.2 | 0 | 0 | 0 | 112.5 | F242 D243 P458 R460 W474 K479 D480 I481 | F242-F477 HydrophobicContact CD2-CB 4.36Å; F242-F477 HydrophobicContact CE2-CB 4.21Å; D243-F477 HydrophobicContact CB-CB 4.06Å; D243-F477 HydrophobicContact CB-CD2 4.11Å; D243-F477 PolarHBondContact OD2-N 3.12Å; P458-F477 HydrophobicContact CB-CE1 4.03Å; P458-F477 HydrophobicContact CB-CZ 4.45Å; R460-F477 HydrophobicContact CB-CE1 4.46Å; R460-F477 HydrophobicContact CG-CD1 3.79Å; R460-F477 HydrophobicContact CG-CE1 3.1Å; R460-F477 HydrophobicContact CG-CE2 4.19Å; R460-F477 HydrophobicContact CG-CZ 3.36Å; W474-F477 HydrophobicContact CH2-CD2 4.06Å; W474-F477 AromaticContact CH2-CE2 3.56Å; W474-F477 HydrophobicContact CH2-CE2 3.56Å; W474-F477 HydrophobicContact CH2-CZ 4.41Å; W474-F477 AromaticContact CZ2-CD2 3.77Å; W474-F477 HydrophobicContact CZ2-CD2 3.77Å; W474-F477 AromaticContact CZ2-CE2 3.74Å; W474-F477 HydrophobicContact CZ2-CE2 3.74Å; F477-K479 PolarHBondContact O-N 3.01Å; F477-D480 WeakPolarHBondContact O-CB 3.13Å; F477-D480 PolarHBondContact O-N 2.97Å; F477-D480 VanDerWaalsContact O-N 3.14Å; F477-I481 WeakPolarHBondContact O-CG1 3.39Å; F477-I481 PolarHBondContact O-N 3.39Å; F477-I481 VanDerWaalsContact O-N 3.13Å |
| 478 | I | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -28.3 | 179.8 | -147.5 | 175.1 | 0 | 0 | 0 | 112.2 | F242 P476 I481 M482 I534 V536 E544 C547 I562 | F242-I478 HydrophobicContact CE2-CB 3.88Å; F242-I478 HydrophobicContact CE2-CG1 4.11Å; F242-I478 HydrophobicContact CZ-CB 3.88Å; F242-I478 HydrophobicContact CZ-CD1 3.96Å; F242-I478 HydrophobicContact CZ-CG1 3.93Å; P476-I478 HydrophobicContact CB-CG2 4.26Å; P476-I478 PolarHBondContact O-N 3.19Å; P476-I478 VanDerWaalsContact O-N 3.11Å; I478-I481 PolarHBondContact O-N 3.05Å; I478-M482 HydrophobicContact CD1-CE 3.94Å; I478-M482 HydrophobicContact CG1-CE 3.93Å; I478-M482 HydrophobicContact CG2-CE 4Å; I478-M482 HydrophobicContact CG2-SD 4.44Å; I478-M482 WeakPolarHBondContact O-CB 3.34Å; I478-M482 WeakPolarHBondContact O-CG 3.24Å; I478-M482 PolarHBondContact O-N 3.28Å; I478-I534 HydrophobicContact CD1-CG2 4.02Å; I478-V536 HydrophobicContact CD1-CG2 4Å; I478-E544 HydrophobicContact CB-CG 4.42Å; I478-E544 HydrophobicContact CD1-CB 4.44Å; I478-E544 HydrophobicContact CG2-CB 3.93Å; I478-E544 HydrophobicContact CG2-CG 3.83Å; I478-C547 HydrophobicContact CG2-CB 3.94Å; I478-I562 HydrophobicContact CD1-CD1 3.58Å |
| 479 | K | 98.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 176.8 | -165.8 | 177.6 | 177.9 | 174.4 | 0 | 111 | E466 T475 P476 F477 I481 M482 E483 C547 E550 V551 | E466-K479 IonicContact OE2-NZ 2.81Å; T475-K479 HydrophobicContact CG2-CB 4Å; T475-K479 HydrophobicContact CG2-CD 3.57Å; T475-K479 HydrophobicContact CG2-CG 4.38Å; P476-K479 WeakPolarHBondContact O-CB 3.48Å; P476-K479 PolarHBondContact O-N 3.3Å; F477-K479 PolarHBondContact O-N 3.01Å; K479-I481 VanDerWaalsContact C-N 3.28Å; K479-I481 PolarHBondContact O-N 2.93Å; K479-M482 PolarHBondContact O-N 3.32Å; K479-E483 WeakPolarHBondContact O-CG 3.29Å; K479-E483 PolarHBondContact O-N 2.65Å; K479-C547 HydrophobicContact CB-CB 4.03Å; K479-C547 HydrophobicContact CG-CB 4.33Å; K479-E550 WeakPolarHBondContact CE-OE2 3.41Å; K479-E550 IonicContact NZ-OE2 2.69Å; K479-E550 PolarHBondContact NZ-OE2 2.74Å; K479-V551 HydrophobicContact CG-CG2 3.74Å |
| 480 | D | 97.7 | Very high | 95.6 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 175.4 | -65.3 | 0.4 | 0 | 0 | 0 | 110.3 | K461 R463 F477 E483 D484 | K461-D480 HydrophobicContact CD-CB 4.18Å; K461-D480 HydrophobicContact CG-CB 4.24Å; K461-D480 PolarHBondContact N-OD2 3.41Å; R463-D480 IonicContact CZ-OD1 3.34Å; R463-D480 VanDerWaalsContact CZ-OD1 3.29Å; R463-D480 IonicContact NE-OD1 3.98Å; R463-D480 PolarHBondContact NE-OD1 2.94Å; R463-D480 IonicContact NH2-OD1 3.25Å; R463-D480 PolarHBondContact NH2-OD1 3.46Å; F477-D480 WeakPolarHBondContact O-CB 3.13Å; F477-D480 PolarHBondContact O-N 2.97Å; F477-D480 VanDerWaalsContact O-N 3.14Å; D480-E483 PolarHBondContact O-N 2.97Å; D480-D484 WeakPolarHBondContact O-CB 3.26Å; D480-D484 PolarHBondContact O-N 3.15Å |
| 481 | I | 97.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 178 | -65 | 166.6 | 0 | 0 | 0 | 111.2 | L236 I238 F242 F477 I478 K479 A485 L490 W495 | L236-I481 HydrophobicContact CD1-CG2 4.07Å; I238-I481 HydrophobicContact CD1-CD1 4.42Å; I238-I481 HydrophobicContact CD1-CG2 4.35Å; F242-I481 HydrophobicContact CD2-CD1 3.74Å; F242-I481 HydrophobicContact CE2-CD1 3.88Å; F477-I481 WeakPolarHBondContact O-CG1 3.39Å; F477-I481 PolarHBondContact O-N 3.39Å; F477-I481 VanDerWaalsContact O-N 3.13Å; I478-I481 PolarHBondContact O-N 3.05Å; K479-I481 VanDerWaalsContact C-N 3.28Å; K479-I481 PolarHBondContact O-N 2.93Å; I481-A485 VanDerWaalsContact O-CB 3.27Å; I481-A485 WeakPolarHBondContact O-CB 3.42Å; I481-A485 PolarHBondContact O-N 2.92Å; I481-L490 HydrophobicContact CG2-CD2 4.34Å; I481-W495 HydrophobicContact CD1-CH2 3.94Å; I481-W495 HydrophobicContact CD1-CZ2 3.8Å; I481-W495 HydrophobicContact CG1-CH2 4.34Å; I481-W495 HydrophobicContact CG1-CZ2 3.93Å; I481-W495 HydrophobicContact CG2-CH2 3.67Å; I481-W495 HydrophobicContact CG2-CZ2 3.83Å; I481-W495 HydrophobicContact CG2-CZ3 4.3Å |
| 482 | M | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 179.7 | -70.6 | 163.8 | 178.2 | 0 | 0 | 111.6 | I478 K479 A485 I486 L532 I534 C547 A548 V551 V560 I562 | I478-M482 HydrophobicContact CD1-CE 3.94Å; I478-M482 HydrophobicContact CG1-CE 3.93Å; I478-M482 HydrophobicContact CG2-CE 4Å; I478-M482 HydrophobicContact CG2-SD 4.44Å; I478-M482 WeakPolarHBondContact O-CB 3.34Å; I478-M482 WeakPolarHBondContact O-CG 3.24Å; I478-M482 PolarHBondContact O-N 3.28Å; K479-M482 PolarHBondContact O-N 3.32Å; M482-A485 WeakPolarHBondContact O-CB 3.34Å; M482-A485 PolarHBondContact O-N 2.97Å; M482-I486 VanDerWaalsContact O-CG1 3.31Å; M482-I486 WeakPolarHBondContact O-CG1 3.28Å; M482-I486 PolarHBondContact O-N 2.8Å; M482-L532 HydrophobicContact CB-CD2 4.19Å; M482-L532 HydrophobicContact CG-CD2 4.36Å; M482-I534 HydrophobicContact CE-CG1 4.16Å; M482-I534 HydrophobicContact CG-CD1 4.46Å; M482-I534 HydrophobicContact CG-CG1 4.33Å; M482-C547 HydrophobicContact SD-CB 4.43Å; M482-A548 HydrophobicContact CE-CB 3.89Å; M482-A548 HydrophobicContact SD-CB 4.41Å; M482-V551 HydrophobicContact CB-CB 4.49Å; M482-V551 HydrophobicContact CB-CG1 4.08Å; M482-V551 HydrophobicContact CB-CG2 4.13Å; M482-V551 HydrophobicContact SD-CG2 4.21Å; M482-V560 HydrophobicContact CE-CG1 3.98Å; M482-V560 HydrophobicContact CG-CG1 4.14Å; M482-V560 HydrophobicContact SD-CG1 3.97Å; M482-I562 HydrophobicContact CE-CB 4.44Å; M482-I562 HydrophobicContact CE-CD1 3.87Å |
| 483 | E | 96.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 177.5 | -70.4 | 168.7 | -177.8 | 0 | 0 | 111.4 | K461 R463 K479 D480 A485 I486 D487 V551 | K461-E483 WeakPolarHBondContact CD-OE2 3.47Å; K461-E483 VanDerWaalsContact NZ-CB 3.31Å; K461-E483 IonicContact NZ-OE2 3.68Å; K461-E483 PolarHBondContact NZ-OE2 2.68Å; R463-E483 IonicContact CZ-OE1 2.71Å; R463-E483 IonicContact CZ-OE2 3.72Å; R463-E483 IonicContact NH1-OE1 3.22Å; R463-E483 PolarHBondContact NH1-OE1 3.49Å; R463-E483 IonicContact NH2-OE1 3.3Å; R463-E483 PolarHBondContact NH2-OE1 3.29Å; R463-E483 IonicContact NH2-OE2 3.6Å; R463-E483 PolarHBondContact NH2-OE2 3.35Å; K479-E483 WeakPolarHBondContact O-CG 3.29Å; K479-E483 PolarHBondContact O-N 2.65Å; D480-E483 PolarHBondContact O-N 2.97Å; E483-A485 VanDerWaalsContact C-N 3.26Å; E483-A485 PolarHBondContact O-N 3.36Å; E483-I486 PolarHBondContact O-N 3.22Å; E483-D487 WeakPolarHBondContact O-CB 3.43Å; E483-D487 PolarHBondContact O-N 2.83Å; E483-V551 HydrophobicContact CG-CG2 4.21Å |
| 484 | D | 95.6 | Very high | 95.3 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -29.1 | 177.8 | -73.3 | -13.7 | 0 | 0 | 0 | 112.1 | K461 D480 N488 R489 L490 | K461-D484 WeakPolarHBondContact CE-OD1 3.28Å; K461-D484 IonicContact NZ-OD1 2.63Å; K461-D484 PolarHBondContact NZ-OD1 3.41Å; D480-D484 WeakPolarHBondContact O-CB 3.26Å; D480-D484 PolarHBondContact O-N 3.15Å; D484-N488 CarbonylContact O-C 3.54Å; D484-N488 PolarHBondContact O-N 3.19Å; D484-N488 VanDerWaalsContact O-N 3.12Å; D484-R489 HydrophobicContact CB-CB 4.1Å; D484-R489 PolarHBondContact O-N 3.06Å; D484-L490 HydrophobicContact CB-CD2 3.72Å; D484-L490 HydrophobicContact CB-CG 4.14Å; D484-L490 PolarHBondContact O-N 2.68Å |
| 485 | A | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -49.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L236 I481 M482 E483 D487 N488 L490 W505 L532 | L236-A485 HydrophobicContact CD1-CB 3.77Å; I481-A485 VanDerWaalsContact O-CB 3.27Å; I481-A485 WeakPolarHBondContact O-CB 3.42Å; I481-A485 PolarHBondContact O-N 2.92Å; M482-A485 WeakPolarHBondContact O-CB 3.34Å; M482-A485 PolarHBondContact O-N 2.97Å; E483-A485 VanDerWaalsContact C-N 3.26Å; E483-A485 PolarHBondContact O-N 3.36Å; A485-D487 VanDerWaalsContact C-N 3.33Å; A485-D487 PolarHBondContact O-N 3.43Å; A485-N488 PolarHBondContact O-N 3.45Å; A485-N488 VanDerWaalsContact O-N 3.07Å; A485-L490 HydrophobicContact CB-CD1 3.66Å; A485-L490 HydrophobicContact CB-CG 4.22Å; A485-W505 PolarHBondContact O-NE1 3.48Å; A485-L532 HydrophobicContact CB-CD1 4.02Å; A485-L532 HydrophobicContact CB-CD2 3.77Å |
| 486 | I | 94.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 179.2 | -68.2 | 169.8 | 0 | 0 | 0 | 111.1 | M482 E483 N488 W505 S508 L532 V551 H555 C558 V560 | M482-I486 VanDerWaalsContact O-CG1 3.31Å; M482-I486 WeakPolarHBondContact O-CG1 3.28Å; M482-I486 PolarHBondContact O-N 2.8Å; E483-I486 PolarHBondContact O-N 3.22Å; I486-N488 PolarHBondContact O-N 3.11Å; I486-W505 PolarHBondContact O-NE1 2.83Å; I486-S508 PolarHBondContact O-N 3.48Å; I486-L532 HydrophobicContact CG1-CD2 4.06Å; I486-V551 HydrophobicContact CD1-CG1 3.39Å; I486-H555 HydrophobicContact CD1-CB 3.99Å; I486-H555 HydrophobicContact CG2-CB 4.29Å; I486-C558 HydrophobicContact CD1-CB 4.18Å; I486-C558 HydrophobicContact CG1-CB 4.17Å; I486-C558 HydrophobicContact CG2-CB 4.33Å; I486-V560 HydrophobicContact CD1-CG2 4.06Å |
| 487 | D | 92.1 | Very high | 95 | Very high | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -0 | 179.3 | -71.7 | -14 | 0 | 0 | 0 | 113.7 | E483 A485 R489 H555 | E483-D487 WeakPolarHBondContact O-CB 3.43Å; E483-D487 PolarHBondContact O-N 2.83Å; A485-D487 VanDerWaalsContact C-N 3.33Å; A485-D487 PolarHBondContact O-N 3.43Å; D487-R489 VanDerWaalsContact C-N 3.31Å; D487-R489 HydrophobicContact CB-CG 3.99Å; D487-R489 PolarHBondContact O-N 3.18Å; D487-H555 IonicContact OD1-CE1 3.04Å |
| 488 | N | 90.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 49.5 Ų | 49.5 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.4 | -177.6 | -163.2 | 43.3 | 0 | 0 | 0 | 113.7 | D484 A485 I486 | D484-N488 CarbonylContact O-C 3.54Å; D484-N488 PolarHBondContact O-N 3.19Å; D484-N488 VanDerWaalsContact O-N 3.12Å; A485-N488 PolarHBondContact O-N 3.45Å; A485-N488 VanDerWaalsContact O-N 3.07Å; I486-N488 PolarHBondContact O-N 3.11Å |
| 489 | R | 93.9 | Very high | 93.7 | Very high | 177 Ų | 177 | 50.7 Ų | 50.7 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | trans | -104.4 | -5.9 | -179.6 | -67.2 | 179.9 | 178.3 | 175.6 | 1.9 | 114.4 | D484 D487 D491 | D484-R489 HydrophobicContact CB-CB 4.1Å; D484-R489 PolarHBondContact O-N 3.06Å; D487-R489 VanDerWaalsContact C-N 3.31Å; D487-R489 HydrophobicContact CB-CG 3.99Å; D487-R489 PolarHBondContact O-N 3.18Å; R489-D491 PolarHBondContact O-N 2.9Å | ||
| 490 | L | 93.3 | Very high | 92 | Very high | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -61.4 | 122 | 175.2 | -70 | -178.3 | 0 | 0 | 0 | 111.9 | R195 L236 I481 D484 A485 S492 W495 | R195-L490 PolarHBondContact NH2-O 2.69Å; R195-L490 VanDerWaalsContact NH2-O 3.14Å; L236-L490 HydrophobicContact CD1-CD1 3.8Å; L236-L490 HydrophobicContact CD2-CD1 4.37Å; I481-L490 HydrophobicContact CG2-CD2 4.34Å; D484-L490 HydrophobicContact CB-CD2 3.72Å; D484-L490 HydrophobicContact CB-CG 4.14Å; D484-L490 PolarHBondContact O-N 2.68Å; A485-L490 HydrophobicContact CB-CD1 3.66Å; A485-L490 HydrophobicContact CB-CG 4.22Å; L490-S492 PolarHBondContact O-N 2.61Å; L490-W495 HydrophobicContact CB-CB 4.18Å; L490-W495 HydrophobicContact CB-CG 4.13Å; L490-W495 HydrophobicContact CD1-CB 4.46Å; L490-W495 HydrophobicContact CD1-CD2 4.19Å; L490-W495 HydrophobicContact CD1-CE3 4.45Å; L490-W495 HydrophobicContact CD1-CG 4.19Å; L490-W495 HydrophobicContact CD2-CD2 4.45Å; L490-W495 HydrophobicContact CD2-CG 4.37Å; L490-W495 HydrophobicContact CG-CG 4.48Å |
| 491 | D | 93.1 | Very high | 90 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 43% | 0.428 | 33% | 0.327 | S | S | . | . | trans | -54.8 | 130 | 177.8 | 178.5 | -85 | 0 | 0 | 0 | 111.8 | R489 K493 E494 W495 | R489-D491 PolarHBondContact O-N 2.9Å; D491-K493 VanDerWaalsContact C-N 3.31Å; D491-K493 PolarHBondContact O-N 3.24Å; D491-K493 VanDerWaalsContact OD1-CA 3.31Å; D491-K493 WeakPolarHBondContact OD1-CA 3.5Å; D491-K493 VanDerWaalsContact OD1-CB 3.24Å; D491-K493 WeakPolarHBondContact OD1-CB 3.15Å; D491-K493 PolarHBondContact OD1-N 3.04Å; D491-E494 HydrophobicContact CB-CB 4.26Å; D491-E494 HydrophobicContact CB-CG 4.35Å; D491-E494 PolarHBondContact O-N 2.94Å; D491-E494 PolarHBondContact OD1-N 3.46Å; D491-W495 WeakPolarHBondContact O-CA 3.37Å; D491-W495 WeakPolarHBondContact O-CB 3.15Å; D491-W495 PolarHBondContact O-N 2.96Å | ||
| 492 | S | 91.6 | Very high | 88.4 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 58% | 0.58 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16 | -173.6 | -58.9 | 0 | 0 | 0 | 0 | 114.4 | L490 P496 | L490-S492 PolarHBondContact O-N 2.61Å; S492-P496 WeakPolarHBondContact O-CA 3.19Å |
| 493 | K | 93.5 | Very high | 86.8 | Confident | 178 Ų | 178 | 69.3 Ų | 69.3 | 77% | 0.774 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -37.7 | 174.2 | -58.5 | 178.2 | 179.4 | 174.8 | 0 | 111 | S198 D491 | S198-K493 PolarHBondContact OG-O 3.35Å; D491-K493 VanDerWaalsContact C-N 3.31Å; D491-K493 PolarHBondContact O-N 3.24Å; D491-K493 VanDerWaalsContact OD1-CA 3.31Å; D491-K493 WeakPolarHBondContact OD1-CA 3.5Å; D491-K493 VanDerWaalsContact OD1-CB 3.24Å; D491-K493 WeakPolarHBondContact OD1-CB 3.15Å; D491-K493 PolarHBondContact OD1-N 3.04Å |
| 494 | E | 94.7 | Very high | 85.4 | Confident | 93 Ų | 93 | 72.3 Ų | 72.3 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -33.6 | 174.9 | -67.5 | -162 | 177.1 | 0 | 0 | 112.9 | K197 S198 D491 P496 | K197-E494 IonicContact NZ-OE2 3.67Å; K197-E494 PolarHBondContact NZ-OE2 2.88Å; S198-E494 PolarHBondContact N-O 3.04Å; S198-E494 PolarHBondContact OG-O 3.36Å; D491-E494 HydrophobicContact CB-CB 4.26Å; D491-E494 HydrophobicContact CB-CG 4.35Å; D491-E494 PolarHBondContact O-N 2.94Å; D491-E494 PolarHBondContact OD1-N 3.46Å; E494-P496 VanDerWaalsContact C-CD 3.4Å; E494-P496 WeakPolarHBondContact O-CD 3.48Å |
| 495 | W | 95.8 | Very high | 84.5 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 4% | 0.038 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -126.7 | 61.8 | -175.7 | -60.1 | 91.1 | 0 | 0 | 0 | 111.6 | R195 Y196 K197 L236 I238 I481 L490 D491 | R195-W495 VanDerWaalsContact CZ-O 3.31Å; R195-W495 PolarHBondContact NE-O 2.78Å; R195-W495 PolarHBondContact NH2-O 3.46Å; Y196-W495 WeakPolarHBondContact O-CA 3.49Å; K197-W495 HydrophobicContact CB-CE3 4.17Å; K197-W495 HydrophobicContact CB-CH2 3.88Å; K197-W495 HydrophobicContact CB-CZ2 4.31Å; K197-W495 HydrophobicContact CB-CZ3 3.82Å; K197-W495 HydrophobicContact CD-CD2 4.24Å; K197-W495 HydrophobicContact CD-CH2 4.2Å; K197-W495 HydrophobicContact CD-CZ2 3.74Å; K197-W495 HydrophobicContact CG-CH2 4.38Å; K197-W495 HydrophobicContact CG-CZ2 4.39Å; L236-W495 HydrophobicContact CB-CZ3 4.48Å; I238-W495 HydrophobicContact CD1-CH2 3.65Å; I238-W495 HydrophobicContact CD1-CZ3 3.98Å; I238-W495 HydrophobicContact CG1-CH2 3.74Å; I238-W495 HydrophobicContact CG1-CZ3 3.71Å; I238-W495 HydrophobicContact CG2-CH2 4.34Å; I481-W495 HydrophobicContact CD1-CH2 3.94Å; I481-W495 HydrophobicContact CD1-CZ2 3.8Å; I481-W495 HydrophobicContact CG1-CH2 4.34Å; I481-W495 HydrophobicContact CG1-CZ2 3.93Å; I481-W495 HydrophobicContact CG2-CH2 3.67Å; I481-W495 HydrophobicContact CG2-CZ2 3.83Å; I481-W495 HydrophobicContact CG2-CZ3 4.3Å; L490-W495 HydrophobicContact CB-CB 4.18Å; L490-W495 HydrophobicContact CB-CG 4.13Å; L490-W495 HydrophobicContact CD1-CB 4.46Å; L490-W495 HydrophobicContact CD1-CD2 4.19Å; L490-W495 HydrophobicContact CD1-CE3 4.45Å; L490-W495 HydrophobicContact CD1-CG 4.19Å; L490-W495 HydrophobicContact CD2-CD2 4.45Å; L490-W495 HydrophobicContact CD2-CG 4.37Å; L490-W495 HydrophobicContact CG-CG 4.48Å; D491-W495 WeakPolarHBondContact O-CA 3.37Å; D491-W495 WeakPolarHBondContact O-CB 3.15Å; D491-W495 PolarHBondContact O-N 2.96Å |
| 496 | P | 95.5 | Very high | 83.3 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 17% | 0.169 | 37% | 0.368 | C | S | . | . | trans | -63.7 | 152.2 | 179.4 | 29 | -37.8 | 0 | 0 | 0 | 112 | R195 Y196 S492 E494 | R195-P496 VanDerWaalsContact CA-O 3.29Å; R195-P496 WeakPolarHBondContact CA-O 3.32Å; R195-P496 WeakPolarHBondContact CB-O 3.32Å; Y196-P496 HydrophobicContact CD2-CG 4.14Å; Y196-P496 HydrophobicContact CE1-CG 3.96Å; Y196-P496 HydrophobicContact CE2-CG 3.51Å; Y196-P496 VanDerWaalsContact CZ-CG 3.41Å; Y196-P496 PolarHBondContact N-O 2.72Å; Y196-P496 WeakPolarHBondContact O-CD 3.44Å; S492-P496 WeakPolarHBondContact O-CA 3.19Å; E494-P496 VanDerWaalsContact C-CD 3.4Å; E494-P496 WeakPolarHBondContact O-CD 3.48Å | ||
| 497 | Y | 92.9 | Very high | 82 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 25% | 0.247 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -80.8 | 146 | 165.9 | -72 | -89.8 | 0 | 0 | 0 | 110.4 | V194 R195 Q234 S499 P502 | V194-Y497 WeakPolarHBondContact O-CA 3.42Å; R195-Y497 VanDerWaalsContact CD-CZ 3.49Å; R195-Y497 HydrophobicContact CG-CD1 3.37Å; R195-Y497 HydrophobicContact CG-CD2 4.25Å; R195-Y497 HydrophobicContact CG-CE1 3.41Å; R195-Y497 VanDerWaalsContact CG-CE1 3.41Å; R195-Y497 HydrophobicContact CG-CE2 4.29Å; R195-Y497 HydrophobicContact CG-CG 3.82Å; Q234-Y497 PolarHBondContact NE2-OH 3.45Å; Y497-S499 WeakPolarHBondContact CB-O 3.49Å; Y497-P502 HydrophobicContact CD1-CB 3.98Å; Y497-P502 HydrophobicContact CD1-CG 3.93Å; Y497-P502 HydrophobicContact CE1-CB 3.79Å; Y497-P502 HydrophobicContact CE1-CG 3.87Å; Y497-P502 HydrophobicContact CE2-CG 4.48Å; Y497-P502 HydrophobicContact CG-CG 4.27Å |
| 498 | C | 91.1 | Very high | 80.8 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 28% | 0.277 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -66.8 | -40.8 | 169.1 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | V194 A208 E212 | V194-C498 HydrophobicContact CB-CB 4.39Å; V194-C498 PolarHBondContact O-N 2.91Å; A208-C498 VanDerWaalsContact C-SG 3.54Å; A208-C498 VanDerWaalsContact CB-SG 3.53Å; A208-C498 PolarHBondContact O-SG 3.07Å; A208-C498 VanDerWaalsContact O-SG 3.4Å; E212-C498 HydrophobicContact CB-CB 3.89Å; E212-C498 HydrophobicContact CG-CB 3.87Å |
| 499 | S | 77.2 | Confident | 79.4 | Confident | 26 Ų | 26 | 70.1 Ų | 70.1 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -112.3 | 153.3 | -178 | 53.3 | 0 | 0 | 0 | 0 | 113 | E212 Y497 C501 | E212-S499 WeakPolarHBondContact OE1-CB 3.43Å; E212-S499 PolarHBondContact OE1-OG 3.32Å; Y497-S499 WeakPolarHBondContact CB-O 3.49Å; S499-C501 VanDerWaalsContact C-N 3.31Å; S499-C501 PolarHBondContact O-N 3.04Å |
| 500 | R | 61.7 | Low | 77.6 | Confident | 260 Ų | 260 | 65.1 Ų | 65.1 | 98% | 0.981 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -77.1 | -12 | -176.6 | -68.9 | -173 | 179.6 | -171.4 | 0.7 | 114.2 | P502 | R500-P502 VanDerWaalsContact C-CD 3.48Š|
| 501 | C | 56 | Low | 75.6 | Confident | 109 Ų | 109 | 68.7 Ų | 68.7 | 74% | 0.736 | 39% | 0.387 | S | S | * | . | trans | -130.9 | 58.7 | -170.3 | -145.8 | 0 | 0 | 0 | 0 | 112.5 | S499 | S499-C501 VanDerWaalsContact C-N 3.31Å; S499-C501 PolarHBondContact O-N 3.04Å | ||
| 502 | P | 64.7 | Low | 73.5 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | trans | -61.6 | 148.9 | 167.5 | 28.7 | -33.2 | 0 | 0 | 0 | 109.4 | Y497 R500 | Y497-P502 HydrophobicContact CD1-CB 3.98Å; Y497-P502 HydrophobicContact CD1-CG 3.93Å; Y497-P502 HydrophobicContact CE1-CB 3.79Å; Y497-P502 HydrophobicContact CE1-CG 3.87Å; Y497-P502 HydrophobicContact CE2-CG 4.48Å; Y497-P502 HydrophobicContact CG-CG 4.27Å; R500-P502 VanDerWaalsContact C-CD 3.48Å | ||
| 503 | A | 65.1 | Low | 71.4 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | trans | -56.3 | 154.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | K230 T231 W505 | K230-A503 HydrophobicContact CB-CB 4.2Å; K230-A503 WeakPolarHBondContact O-CB 3.47Å; T231-A503 WeakPolarHBondContact O-CB 3.2Å; A503-W505 PolarHBondContact O-N 2.81Å | ||
| 504 | V | 67.6 | Low | 69.2 | Low | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | trans | -60.4 | 106.9 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 505 | W | 76.4 | Confident | 66.8 | Low | 22 Ų | 22 | 72.9 Ų | 72.9 | 8% | 0.083 | 42% | 0.415 | C | S | . | . | trans | -71.2 | 129.8 | 175.5 | 170.9 | -108.9 | 0 | 0 | 0 | 110 | Q232 Q234 A485 I486 A503 L532 | Q232-W505 WeakPolarHBondContact O-CZ3 3.22Å; Q234-W505 HydrophobicContact CB-CE3 4.19Å; Q234-W505 HydrophobicContact CB-CH2 4.2Å; Q234-W505 HydrophobicContact CB-CZ3 3.94Å; Q234-W505 HydrophobicContact CG-CD2 3.84Å; Q234-W505 HydrophobicContact CG-CE3 3.57Å; Q234-W505 HydrophobicContact CG-CG 4.37Å; Q234-W505 HydrophobicContact CG-CH2 4.37Å; Q234-W505 HydrophobicContact CG-CZ3 3.86Å; Q234-W505 VanDerWaalsContact NE2-CB 3.27Å; A485-W505 PolarHBondContact O-NE1 3.48Å; I486-W505 PolarHBondContact O-NE1 2.83Å; A503-W505 PolarHBondContact O-N 2.81Å; W505-L532 HydrophobicContact CH2-CB 4.15Å; W505-L532 HydrophobicContact CH2-CD1 4.41Å | ||
| 506 | N | 69.8 | Low | 64.1 | Low | 26 Ų | 26 | 81.6 Ų | 81.6 | 14% | 0.139 | 45% | 0.453 | C | S | . | . | trans | -141.2 | 62.8 | 176.1 | -171.4 | 15.2 | 0 | 0 | 0 | 110.3 | S508 G509 A510 | N506-S508 PolarHBondContact O-N 3.06Å; N506-S508 VanDerWaalsContact O-N 3.16Å; N506-S508 PolarHBondContact OD1-OG 3.44Å; N506-G509 PolarHBondContact O-N 3.15Å; N506-G509 PolarHBondContact OD1-N 2.81Å; N506-A510 PolarHBondContact ND2-N 3.03Å; N506-A510 PolarHBondContact ND2-O 2.99Å; N506-A510 PolarHBondContact OD1-N 2.95Å; N506-A510 PolarHBondContact OD1-O 2.67Å | ||
| 507 | G | 65.5 | Low | 61.5 | Low | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G509 S557 | G507-G509 VanDerWaalsContact C-N 3.33Å; G507-G509 PolarHBondContact O-N 2.74Å; G507-S557 PolarHBondContact O-OG 3.15Å |
| 508 | S | 66.9 | Low | 59.1 | Low | 56 Ų | 56 | 93.9 Ų | 93.9 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.5 | 176.5 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | I486 N506 A510 | I486-S508 PolarHBondContact O-N 3.48Å; N506-S508 PolarHBondContact O-N 3.06Å; N506-S508 VanDerWaalsContact O-N 3.16Å; N506-S508 PolarHBondContact OD1-OG 3.44Å; S508-A510 PolarHBondContact O-N 3.3Å |
| 509 | G | 61.8 | Low | 56.7 | Low | 43 Ų | 43 | 96.2 Ų | 96.2 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | trans | 73.2 | 4.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N506 G507 V511 | N506-G509 PolarHBondContact O-N 3.15Å; N506-G509 PolarHBondContact OD1-N 2.81Å; G507-G509 VanDerWaalsContact C-N 3.33Å; G507-G509 PolarHBondContact O-N 2.74Å; G509-V511 PolarHBondContact O-N 3.19Å | ||
| 510 | A | 55.5 | Low | 55 | Low | 72 Ų | 72 | 101.6 Ų | 101.6 | 60% | 0.595 | 55% | 0.55 | S | S | * | . | trans | -75.4 | 109.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N506 S508 | N506-A510 PolarHBondContact ND2-N 3.03Å; N506-A510 PolarHBondContact ND2-O 2.99Å; N506-A510 PolarHBondContact OD1-N 2.95Å; N506-A510 PolarHBondContact OD1-O 2.67Å; S508-A510 PolarHBondContact O-N 3.3Å | ||
| 511 | V | 52.4 | Low | 54.2 | Low | 89 Ų | 89 | 96.8 Ų | 96.8 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | trans | -89.5 | 132.3 | -179.4 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | G509 | G509-V511 PolarHBondContact O-N 3.19Š| ||
| 512 | S | 48.9 | Very low | 53.6 | Low | 72 Ų | 72 | 94 Ų | 94 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | trans | -71 | 133 | 165.3 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | R514 Q515 | S512-R514 PolarHBondContact O-N 3.38Å; S512-Q515 PolarHBondContact O-N 2.83Å; S512-Q515 VanDerWaalsContact O-N 3.11Å | ||
| 513 | A | 45.9 | Very low | 52.5 | Low | 111 Ų | 111 | 99 Ų | 99 | 92% | 0.917 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -10.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 514 | R | 47.1 | Very low | 51.5 | Low | 235 Ų | 235 | 103.9 Ų | 103.9 | 89% | 0.887 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -8.9 | 179.2 | -68.8 | -175.8 | 179.5 | -177 | 0.4 | 114.7 | S512 K516 | S512-R514 PolarHBondContact O-N 3.38Å; R514-K516 PolarHBondContact O-N 2.89Å |
| 515 | Q | 45.6 | Very low | 50.5 | Low | 105 Ų | 105 | 102.1 Ų | 102.1 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | trans | -86.7 | 99.3 | 178.4 | -73.3 | -179.9 | -23.9 | 0 | 0 | 110.9 | S512 | S512-Q515 PolarHBondContact O-N 2.83Å; S512-Q515 VanDerWaalsContact O-N 3.11Å | ||
| 516 | K | 38.4 | Very low | 49.1 | Very low | 193 Ų | 193 | 109.8 Ų | 109.8 | 84% | 0.839 | 57% | 0.567 | S | S | * | * | trans | -69.7 | 133.2 | 165.3 | -76.8 | -174.1 | 176.7 | -178.5 | 0 | 109.1 | R514 R518 | R514-K516 PolarHBondContact O-N 2.89Å; K516-R518 PolarHBondContact O-N 3.46Å | ||
| 517 | P | 40.9 | Very low | 48.1 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 73% | 0.734 | 60% | 0.599 | S | S | * | * | trans | -71.3 | 106.9 | -178 | 26.2 | -26.8 | 0 | 0 | 0 | 108.7 | ||||
| 518 | R | 42.5 | Very low | 47.7 | Very low | 233 Ų | 233 | 122.9 Ų | 122.9 | 88% | 0.879 | 63% | 0.629 | S | S | * | * | trans | -111.6 | 66.5 | 178.1 | -127.1 | -172.5 | 177.5 | 157.5 | -1.6 | 108.2 | K516 | K516-R518 PolarHBondContact O-N 3.46Š| ||
| 519 | T | 40.2 | Very low | 47.8 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | trans | 157 | 140.2 | 155.9 | 36.9 | 0 | 0 | 0 | 0 | 111.7 | Y521 L522 | T519-Y521 PolarHBondContact O-N 2.92Å; T519-Y521 VanDerWaalsContact O-N 3.16Å; T519-L522 PolarHBondContact O-N 3.21Å | ||
| 520 | N | 43.1 | Very low | 49 | Very low | 140 Ų | 140 | 120 Ų | 120 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -19 | 178.7 | -71.9 | -4.2 | 0 | 0 | 0 | 114.3 | L522 E523 | N520-L522 VanDerWaalsContact C-N 3.25Å; N520-L522 PolarHBondContact O-N 3.41Å; N520-E523 PolarHBondContact O-N 3.12Å |
| 521 | Y | 44.2 | Very low | 50.8 | Low | 158 Ų | 158 | 118.2 Ų | 118.2 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.8 | -31.9 | 176.2 | -76.7 | -86.4 | 0 | 0 | 0 | 112.6 | T519 E523 L524 D525 | T519-Y521 PolarHBondContact O-N 2.92Å; T519-Y521 VanDerWaalsContact O-N 3.16Å; Y521-E523 VanDerWaalsContact C-N 3.28Å; Y521-E523 PolarHBondContact O-N 3.37Å; Y521-L524 PolarHBondContact O-N 3.11Å; Y521-D525 PolarHBondContact O-N 2.99Å |
| 522 | L | 43.6 | Very low | 52.9 | Low | 52 Ų | 52 | 114 Ų | 114 | 27% | 0.272 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.9 | -25.7 | 179.1 | -68.4 | 169.1 | 0 | 0 | 0 | 113.5 | Q232 T519 N520 R526 | Q232-L522 VanDerWaalsContact NE2-CD2 3.25Å; T519-L522 PolarHBondContact O-N 3.21Å; N520-L522 VanDerWaalsContact C-N 3.25Å; N520-L522 PolarHBondContact O-N 3.41Å; L522-R526 WeakPolarHBondContact O-CD 3.36Å; L522-R526 WeakPolarHBondContact O-CG 3.49Å; L522-R526 PolarHBondContact O-N 2.98Å |
| 523 | E | 40.7 | Very low | 55.3 | Low | 146 Ų | 146 | 110.6 Ų | 110.6 | 68% | 0.682 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -78.3 | -30.7 | 179 | -70.9 | -169.5 | 159.7 | 0 | 0 | 112.6 | N520 Y521 | N520-E523 PolarHBondContact O-N 3.12Å; Y521-E523 VanDerWaalsContact C-N 3.28Å; Y521-E523 PolarHBondContact O-N 3.37Å |
| 524 | L | 44.5 | Very low | 57.8 | Low | 133 Ų | 133 | 105.3 Ų | 105.3 | 70% | 0.696 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73.1 | -44 | 176 | -130.9 | 82.2 | 0 | 0 | 0 | 110.9 | Y521 R526 K527 | Y521-L524 PolarHBondContact O-N 3.11Å; L524-R526 VanDerWaalsContact C-N 3.27Å; L524-R526 PolarHBondContact O-N 2.61Å; L524-K527 PolarHBondContact O-N 2.91Å |
| 525 | D | 45.9 | Very low | 60.3 | Low | 55 Ų | 55 | 94.1 Ų | 94.1 | 29% | 0.294 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -35.6 | 176.1 | -75.5 | -13.9 | 0 | 0 | 0 | 111.9 | Y521 K527 N528 G529 | Y521-D525 PolarHBondContact O-N 2.99Å; D525-K527 PolarHBondContact O-N 3.35Å; D525-N528 PolarHBondContact O-N 2.79Å; D525-G529 PolarHBondContact O-N 2.73Å; D525-G529 VanDerWaalsContact O-N 3.09Å |
| 526 | R | 47.6 | Very low | 62.8 | Low | 183 Ų | 183 | 89.1 Ų | 89.1 | 69% | 0.691 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.6 | -24.3 | 178.1 | -79.9 | 174.2 | 90.1 | 121.6 | 7.9 | 114.3 | L522 L524 | L522-R526 WeakPolarHBondContact O-CD 3.36Å; L522-R526 WeakPolarHBondContact O-CG 3.49Å; L522-R526 PolarHBondContact O-N 2.98Å; L524-R526 VanDerWaalsContact C-N 3.27Å; L524-R526 PolarHBondContact O-N 2.61Å |
| 527 | K | 48.6 | Very low | 65.7 | Low | 183 Ų | 183 | 79.9 Ų | 79.9 | 80% | 0.796 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -78.4 | -26.2 | 177.6 | -79.1 | -175.2 | 179.1 | 175 | 0 | 112.8 | L524 D525 | L524-K527 PolarHBondContact O-N 2.91Å; D525-K527 PolarHBondContact O-N 3.35Å |
| 528 | N | 56.9 | Low | 68.4 | Low | 119 Ų | 119 | 74.5 Ų | 74.5 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -103.6 | -13.1 | -175.1 | -70.9 | -9.4 | 0 | 0 | 0 | 113.9 | D525 | D525-N528 PolarHBondContact O-N 2.79Å |
| 529 | G | 70.5 | Confident | 71 | Confident | 25 Ų | 25 | 63.4 Ų | 63.4 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | trans | 79.4 | 165.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D525 S557 | D525-G529 PolarHBondContact O-N 2.73Å; D525-G529 VanDerWaalsContact O-N 3.09Å; G529-S557 CarbonylContact C-O 3.5Å; G529-S557 WeakPolarHBondContact CA-O 3.46Å | ||
| 530 | S | 87 | Confident | 73.8 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 154.6 | 174.9 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | S557 C558 E559 | S530-S557 PolarHBondContact N-O 3.2Å; S530-C558 CarbonylContact O-C 3.56Å; S530-C558 WeakPolarHBondContact O-CA 3.19Å; S530-C558 PolarHBondContact O-SG 3.39Å; S530-E559 PolarHBondContact O-N 2.89Å |
| 531 | R | 93 | Very high | 76.4 | Confident | 35 Ų | 35 | 52.9 Ų | 52.9 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.2 | 174.6 | -65.2 | -168.1 | -178.4 | 116.9 | -12.7 | 112.3 | L188 E190 S233 Q234 E559 | L188-R531 PolarHBondContact O-NH1 3.33Å; E190-R531 IonicContact OE1-CZ 3.51Å; E190-R531 IonicContact OE1-NE 3.05Å; E190-R531 IonicContact OE1-NH1 2.68Å; E190-R531 PolarHBondContact OE1-NH1 3.18Å; S233-R531 CarbonylContact C-O 3.59Å; S233-R531 WeakPolarHBondContact CA-O 3.36Å; S233-R531 WeakPolarHBondContact CB-O 3.35Å; Q234-R531 PolarHBondContact N-O 3.48Å; R531-E559 WeakPolarHBondContact CA-O 3.4Å; R531-E559 HydrophobicContact CG-CB 4.43Å; R531-E559 IonicContact NE-OE2 3.12Å; R531-E559 PolarHBondContact NE-OE2 2.86Å; R531-E559 VanDerWaalsContact NE-OE2 3.13Å |
| 532 | L | 96.6 | Very high | 79 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 108.2 | 168.4 | 179.6 | 63 | 0 | 0 | 0 | 108.6 | Q234 L236 M482 A485 I486 W505 I534 E559 V560 I561 | Q234-L532 HydrophobicContact CB-CD1 3.92Å; L236-L532 HydrophobicContact CD1-CD1 4.08Å; L236-L532 HydrophobicContact CG-CD1 3.94Å; M482-L532 HydrophobicContact CB-CD2 4.19Å; M482-L532 HydrophobicContact CG-CD2 4.36Å; A485-L532 HydrophobicContact CB-CD1 4.02Å; A485-L532 HydrophobicContact CB-CD2 3.77Å; I486-L532 HydrophobicContact CG1-CD2 4.06Å; W505-L532 HydrophobicContact CH2-CB 4.15Å; W505-L532 HydrophobicContact CH2-CD1 4.41Å; L532-I534 HydrophobicContact CD1-CD1 3.98Å; L532-I534 HydrophobicContact CD2-CD1 4.01Å; L532-I534 HydrophobicContact CG-CD1 3.74Å; L532-I534 HydrophobicContact CG-CG1 4.29Å; L532-E559 PolarHBondContact N-O 2.78Å; L532-V560 HydrophobicContact CB-CG2 4.33Å; L532-V560 HydrophobicContact CD2-CG1 4.45Å; L532-V560 HydrophobicContact CD2-CG2 4.29Å; L532-V560 CarbonylContact O-C 3.59Å; L532-V560 VanDerWaalsContact O-CA 3.32Å; L532-V560 WeakPolarHBondContact O-CA 2.98Å; L532-I561 PolarHBondContact O-N 2.85Å |
| 533 | I | 98.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.7 | 177.2 | -51.9 | 170.4 | 0 | 0 | 0 | 107.7 | Y148 L188 E190 Q234 L235 L236 I561 | Y148-I533 HydrophobicContact CE1-CG2 4.17Å; L188-I533 HydrophobicContact CD1-CD1 3.71Å; L188-I533 HydrophobicContact CD1-CG1 4.1Å; E190-I533 HydrophobicContact CB-CD1 4.38Å; Q234-I533 PolarHBondContact O-N 3.41Å; L235-I533 CarbonylContact C-O 3.59Å; L235-I533 VanDerWaalsContact CA-O 3.26Å; L235-I533 WeakPolarHBondContact CA-O 3.47Å; L235-I533 HydrophobicContact CD1-CB 3.96Å; L235-I533 HydrophobicContact CD1-CG2 3.67Å; L236-I533 PolarHBondContact N-O 3.2Å; I533-I561 CarbonylContact C-O 3.55Å; I533-I561 WeakPolarHBondContact CA-O 3.45Å |
| 534 | I | 98.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.6 | 179.2 | -53.4 | -63 | 0 | 0 | 0 | 108.9 | Y148 L236 I238 I478 M482 L532 V536 V560 I561 I562 G563 | Y148-I534 PolarHBondContact OH-O 3.04Å; L236-I534 HydrophobicContact CB-CD1 3.72Å; L236-I534 HydrophobicContact CD1-CD1 3.62Å; L236-I534 HydrophobicContact CG-CD1 3.77Å; I238-I534 HydrophobicContact CD1-CG2 4.26Å; I478-I534 HydrophobicContact CD1-CG2 4.02Å; M482-I534 HydrophobicContact CE-CG1 4.16Å; M482-I534 HydrophobicContact CG-CD1 4.46Å; M482-I534 HydrophobicContact CG-CG1 4.33Å; L532-I534 HydrophobicContact CD1-CD1 3.98Å; L532-I534 HydrophobicContact CD2-CD1 4.01Å; L532-I534 HydrophobicContact CG-CD1 3.74Å; L532-I534 HydrophobicContact CG-CG1 4.29Å; I534-V536 HydrophobicContact CG2-CG2 4.38Å; I534-V560 HydrophobicContact CG1-CG1 4.15Å; I534-I561 PolarHBondContact N-O 3.26Å; I534-I562 HydrophobicContact CB-CB 4.36Å; I534-I562 HydrophobicContact CB-CG1 4.14Å; I534-I562 HydrophobicContact CG2-CG1 4.23Å; I534-I562 CarbonylContact O-C 3.59Å; I534-G563 PolarHBondContact O-N 3.49Å |
| 535 | F | 98.9 | Very high | 87 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 116.9 | 172 | -170.5 | -102.6 | 0 | 0 | 0 | 111.3 | Y148 L150 M177 I181 L207 L235 L236 I237 I238 I537 G563 S564 T565 | Y148-F535 AromaticContact CE2-CD2 3.94Å; Y148-F535 HydrophobicContact CE2-CD2 3.94Å; Y148-F535 HydrophobicContact CE2-CE2 4.35Å; L150-F535 HydrophobicContact CD1-CE1 4.38Å; L150-F535 HydrophobicContact CD1-CE2 3.45Å; L150-F535 VanDerWaalsContact CD1-CE2 3.45Å; L150-F535 HydrophobicContact CD1-CZ 3.35Å; L150-F535 HydrophobicContact CD2-CE2 4.37Å; L150-F535 HydrophobicContact CG-CE2 3.63Å; L150-F535 HydrophobicContact CG-CZ 3.99Å; M177-F535 HydrophobicContact SD-CE1 4.34Å; M177-F535 HydrophobicContact SD-CZ 4.28Å; I181-F535 HydrophobicContact CD1-CD1 3.62Å; I181-F535 HydrophobicContact CD1-CD2 4.16Å; I181-F535 HydrophobicContact CD1-CE1 3.8Å; I181-F535 HydrophobicContact CD1-CE2 4.32Å; I181-F535 HydrophobicContact CD1-CG 3.81Å; I181-F535 HydrophobicContact CD1-CZ 4.14Å; I181-F535 HydrophobicContact CG1-CD2 4.23Å; I181-F535 HydrophobicContact CG1-CE2 4.37Å; I181-F535 HydrophobicContact CG1-CG 4.31Å; L207-F535 HydrophobicContact CD2-CD1 3.78Å; L207-F535 HydrophobicContact CD2-CE1 3.6Å; L235-F535 HydrophobicContact CD1-CB 4.27Å; L236-F535 PolarHBondContact O-N 3.25Å; I237-F535 WeakPolarHBondContact CA-O 3.33Å; I237-F535 HydrophobicContact CG1-CB 4.44Å; I237-F535 HydrophobicContact CG2-CD1 4.35Å; I238-F535 PolarHBondContact N-O 2.79Å; F535-I537 HydrophobicContact CD1-CG1 4.25Å; F535-I537 HydrophobicContact CE1-CG1 4.03Å; F535-G563 WeakPolarHBondContact CA-O 3.2Å; F535-S564 VanDerWaalsContact CE2-C 3.43Å; F535-S564 VanDerWaalsContact CE2-CA 3.42Å; F535-T565 HydrophobicContact CZ-CG2 4.02Å |
| 536 | V | 98.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.5 | 172.7 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | I238 F242 I478 I534 G539 I540 G563 S564 | I238-V536 CarbonylContact O-C 3.56Å; I238-V536 WeakPolarHBondContact O-CA 3.32Å; F242-V536 HydrophobicContact CE1-CG1 4.02Å; F242-V536 HydrophobicContact CE1-CG2 4.24Å; I478-V536 HydrophobicContact CD1-CG2 4Å; I534-V536 HydrophobicContact CG2-CG2 4.38Å; V536-G539 WeakPolarHBondContact CG1-O 3.41Å; V536-I540 HydrophobicContact CB-CG2 3.68Å; V536-I540 HydrophobicContact CG1-CG2 4.48Å; V536-I540 HydrophobicContact CG2-CG2 3.63Å; V536-G563 PolarHBondContact N-O 3.2Å; V536-S564 WeakPolarHBondContact O-CA 3.25Å; V536-S564 WeakPolarHBondContact O-CB 3.38Å; V536-S564 PolarHBondContact O-OG 3.2Å |
| 537 | I | 98.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.3 | 173.8 | -57.1 | 173.4 | 0 | 0 | 0 | 107.8 | C159 Y160 N203 A204 L207 I237 I238 R240 F535 | C159-I537 HydrophobicContact CB-CG2 4.12Å; Y160-I537 HydrophobicContact CE2-CG2 4.45Å; Y160-I537 PolarHBondContact OH-O 2.8Å; Y160-I537 VanDerWaalsContact OH-O 3.11Å; N203-I537 HydrophobicContact CB-CD1 3.9Å; A204-I537 HydrophobicContact CB-CD1 4.4Å; L207-I537 HydrophobicContact CB-CD1 4.14Å; L207-I537 HydrophobicContact CD2-CD1 3.73Å; L207-I537 HydrophobicContact CD2-CG1 3.72Å; I237-I537 HydrophobicContact CG2-CD1 4Å; I237-I537 HydrophobicContact CG2-CG1 4.17Å; I238-I537 PolarHBondContact O-N 3.09Å; R240-I537 VanDerWaalsContact CB-O 3.28Å; R240-I537 WeakPolarHBondContact CB-O 3.14Å; R240-I537 PolarHBondContact N-O 2.6Å; R240-I537 VanDerWaalsContact N-O 3.12Å; F535-I537 HydrophobicContact CD1-CG1 4.25Å; F535-I537 HydrophobicContact CE1-CG1 4.03Å |
| 538 | G | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 17.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | F156 T565 | F156-G538 WeakPolarHBondContact CD2-O 3.44Å; G538-T565 WeakPolarHBondContact CA-OG1 3.48Å; G538-T565 PolarHBondContact N-OG1 3.44Å |
| 539 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | trans | 110.4 | 152.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R240 V536 S564 T565 H566 | R240-G539 WeakPolarHBondContact CD-O 3.49Å; R240-G539 PolarHBondContact NH1-O 3.32Å; V536-G539 WeakPolarHBondContact CG1-O 3.41Å; G539-S564 WeakPolarHBondContact CA-OG 3.4Å; G539-S564 PolarHBondContact N-OG 3.45Å; G539-T565 PolarHBondContact N-OG1 2.81Å; G539-H566 VanDerWaalsContact CA-O 3.25Å; G539-H566 WeakPolarHBondContact CA-O 3.45Å | ||
| 540 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151.9 | 172.6 | 51.6 | 177.6 | 0 | 0 | 0 | 110.6 | V147 V536 E544 M545 I562 S564 H566 I567 L568 | V147-I540 HydrophobicContact CG1-CD1 3.87Å; V536-I540 HydrophobicContact CB-CG2 3.68Å; V536-I540 HydrophobicContact CG1-CG2 4.48Å; V536-I540 HydrophobicContact CG2-CG2 3.63Å; I540-E544 WeakPolarHBondContact CA-OE2 3.36Å; I540-M545 HydrophobicContact CD1-CG 3.83Å; I540-M545 HydrophobicContact CD1-SD 4.43Å; I540-M545 HydrophobicContact CG1-CG 4.41Å; I540-I562 HydrophobicContact CD1-CG1 4.25Å; I540-I562 HydrophobicContact CG2-CD1 4.07Å; I540-I562 HydrophobicContact CG2-CG1 4.29Å; I540-S564 PolarHBondContact N-OG 2.96Å; I540-H566 PolarHBondContact N-O 2.97Å; I540-H566 VanDerWaalsContact N-O 3.17Å; I540-I567 HydrophobicContact CG1-CG1 4.27Å; I540-I567 CarbonylContact O-C 3.56Å; I540-I567 WeakPolarHBondContact O-CA 3.42Å; I540-L568 PolarHBondContact O-N 3.23Å |
| 541 | T | 98.5 | Very high | 98 | Very high | 9 Ų | 9 | 8.2 Ų | 8.2 | 6% | 0.055 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 161.9 | 175.5 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | T247 S543 E544 M545 | T247-T541 HydrophobicContact CG2-CG2 3.78Å; T541-S543 PolarHBondContact O-N 2.9Å; T541-S543 PolarHBondContact OG1-N 2.86Å; T541-S543 PolarHBondContact OG1-OG 2.81Å; T541-E544 PolarHBondContact N-OE2 2.75Å; T541-E544 PolarHBondContact O-N 3.34Å; T541-E544 WeakPolarHBondContact OG1-CG 3.27Å; T541-E544 PolarHBondContact OG1-N 3.35Å; T541-E544 VanDerWaalsContact OG1-N 3.14Å; T541-E544 PolarHBondContact OG1-OE2 2.83Å; T541-M545 WeakPolarHBondContact O-CG 3.28Å; T541-M545 PolarHBondContact O-N 2.82Å |
| 542 | Y | 98.5 | Very high | 98.1 | Very high | 21 Ų | 21 | 7.4 Ų | 7.4 | 8% | 0.082 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.9 | -28.9 | 169.2 | -66.9 | -73.3 | 0 | 0 | 0 | 112.9 | Q255 Y259 M545 R546 I567 T569 | Q255-Y542 HydrophobicContact CG-CD1 3.56Å; Q255-Y542 HydrophobicContact CG-CE1 4.07Å; Q255-Y542 HydrophobicContact CG-CG 4.14Å; Y259-Y542 HydrophobicContact CD1-CE1 4.5Å; Y259-Y542 AromaticContact CD1-CE2 3.77Å; Y259-Y542 HydrophobicContact CD1-CE2 3.77Å; Y259-Y542 AromaticContact CD1-CZ 3.53Å; Y259-Y542 WeakPolarHBondContact CD1-OH 3.33Å; Y259-Y542 HydrophobicContact CD2-CE1 4.07Å; Y259-Y542 HydrophobicContact CD2-CE2 4.04Å; Y259-Y542 AromaticContact CD2-CZ 3.77Å; Y259-Y542 AromaticContact CE1-CZ 3.83Å; Y259-Y542 WeakPolarHBondContact CE1-OH 3.39Å; Y259-Y542 HydrophobicContact CE2-CE1 4.16Å; Y259-Y542 HydrophobicContact CG-CD2 4.2Å; Y259-Y542 HydrophobicContact CG-CE1 4.23Å; Y259-Y542 AromaticContact CG-CE2 3.45Å; Y259-Y542 HydrophobicContact CG-CE2 3.45Å; Y259-Y542 VanDerWaalsContact CG-CE2 3.45Å; Y259-Y542 AromaticContact CG-CZ 3.46Å; Y259-Y542 VanDerWaalsContact CG-CZ 3.46Å; Y542-M545 HydrophobicContact CD1-CE 3.87Å; Y542-M545 HydrophobicContact CD1-SD 3.74Å; Y542-M545 HydrophobicContact CE1-CE 4.09Å; Y542-M545 HydrophobicContact CE1-SD 4.13Å; Y542-M545 HydrophobicContact CG-SD 4.45Å; Y542-M545 PolarHBondContact O-N 3.12Å; Y542-R546 PolarHBondContact O-N 2.77Å; Y542-I567 HydrophobicContact CD1-CG2 4.4Å; Y542-I567 HydrophobicContact CD2-CG2 4.3Å; Y542-I567 HydrophobicContact CE1-CG2 3.9Å; Y542-I567 HydrophobicContact CE2-CG2 3.77Å; Y542-T569 HydrophobicContact CE2-CG2 4.2Å |
| 543 | S | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 14.1 Ų | 14.1 | 4% | 0.042 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 175.3 | 75.9 | 0 | 0 | 0 | 0 | 111.9 | E251 T541 R546 C547 | E251-S543 WeakPolarHBondContact OE2-CA 3.28Å; E251-S543 WeakPolarHBondContact OE2-CB 3.37Å; E251-S543 PolarHBondContact OE2-N 2.87Å; T541-S543 PolarHBondContact O-N 2.9Å; T541-S543 PolarHBondContact OG1-N 2.86Å; T541-S543 PolarHBondContact OG1-OG 2.81Å; S543-R546 WeakPolarHBondContact O-CB 3.49Å; S543-C547 PolarHBondContact O-N 3.21Å; S543-C547 PolarHBondContact O-SG 3.21Å |
| 544 | E | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75.4 | -36.6 | 179.4 | -67.8 | 170 | 147.3 | 0 | 0 | 112.4 | R240 F242 P476 I478 I540 T541 R546 C547 A548 I562 | R240-E544 IonicContact CZ-OE1 2.74Å; R240-E544 VanDerWaalsContact CZ-OE1 3.3Å; R240-E544 IonicContact CZ-OE2 2.7Å; R240-E544 VanDerWaalsContact NH1-CD 3.3Å; R240-E544 IonicContact NH1-OE1 2.65Å; R240-E544 PolarHBondContact NH1-OE1 3.21Å; R240-E544 VanDerWaalsContact NH1-OE1 3.12Å; R240-E544 IonicContact NH1-OE2 2.9Å; R240-E544 PolarHBondContact NH1-OE2 2.85Å; R240-E544 IonicContact NH2-OE1 3.17Å; R240-E544 PolarHBondContact NH2-OE1 2.77Å; R240-E544 IonicContact NH2-OE2 2.92Å; F242-E544 VanDerWaalsContact CZ-OE1 3.25Å; F242-E544 WeakPolarHBondContact CZ-OE1 3.42Å; P476-E544 HydrophobicContact CB-CG 4.24Å; I478-E544 HydrophobicContact CB-CG 4.42Å; I478-E544 HydrophobicContact CD1-CB 4.44Å; I478-E544 HydrophobicContact CG2-CB 3.93Å; I478-E544 HydrophobicContact CG2-CG 3.83Å; I540-E544 WeakPolarHBondContact CA-OE2 3.36Å; T541-E544 PolarHBondContact N-OE2 2.75Å; T541-E544 PolarHBondContact O-N 3.34Å; T541-E544 WeakPolarHBondContact OG1-CG 3.27Å; T541-E544 PolarHBondContact OG1-N 3.35Å; T541-E544 VanDerWaalsContact OG1-N 3.14Å; T541-E544 PolarHBondContact OG1-OE2 2.83Å; E544-R546 VanDerWaalsContact C-N 3.32Å; E544-R546 PolarHBondContact O-N 2.78Å; E544-C547 WeakPolarHBondContact O-CB 3.33Å; E544-C547 PolarHBondContact O-N 3.07Å; E544-A548 PolarHBondContact O-N 2.95Å; E544-I562 HydrophobicContact CB-CD1 4.14Å |
| 545 | M | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 171.4 | -71 | 166.5 | 54.7 | 0 | 0 | 110.2 | E144 V147 I540 T541 Y542 C547 A548 Y549 I567 | E144-M545 VanDerWaalsContact CD-CE 3.48Å; E144-M545 HydrophobicContact CG-CE 4.22Å; E144-M545 WeakPolarHBondContact OE1-CE 3.36Å; V147-M545 HydrophobicContact CB-CE 4.3Å; V147-M545 HydrophobicContact CG1-CE 3.97Å; V147-M545 HydrophobicContact CG1-CG 3.9Å; V147-M545 HydrophobicContact CG1-SD 4.11Å; V147-M545 HydrophobicContact CG2-CB 4.03Å; V147-M545 HydrophobicContact CG2-CE 3.96Å; V147-M545 HydrophobicContact CG2-CG 3.9Å; I540-M545 HydrophobicContact CD1-CG 3.83Å; I540-M545 HydrophobicContact CD1-SD 4.43Å; I540-M545 HydrophobicContact CG1-CG 4.41Å; T541-M545 WeakPolarHBondContact O-CG 3.28Å; T541-M545 PolarHBondContact O-N 2.82Å; Y542-M545 HydrophobicContact CD1-CE 3.87Å; Y542-M545 HydrophobicContact CD1-SD 3.74Å; Y542-M545 HydrophobicContact CE1-CE 4.09Å; Y542-M545 HydrophobicContact CE1-SD 4.13Å; Y542-M545 HydrophobicContact CG-SD 4.45Å; Y542-M545 PolarHBondContact O-N 3.12Å; M545-C547 VanDerWaalsContact C-N 3.32Å; M545-C547 PolarHBondContact O-N 2.85Å; M545-A548 WeakPolarHBondContact O-CB 3.44Å; M545-A548 PolarHBondContact O-N 3.43Å; M545-A548 VanDerWaalsContact O-N 3.15Å; M545-Y549 VanDerWaalsContact O-CD2 3.25Å; M545-Y549 WeakPolarHBondContact O-CD2 3.17Å; M545-I567 HydrophobicContact CE-CD1 4.2Å; M545-I567 HydrophobicContact SD-CD1 3.89Å; M545-I567 HydrophobicContact SD-CG1 4.14Å; M545-I567 HydrophobicContact SD-CG2 4.07Å |
| 546 | R | 98.2 | Very high | 96.8 | Very high | 34 Ų | 34 | 29 Ų | 29 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.3 | -45.5 | 175.2 | 171.4 | -179.4 | 65.7 | 119 | -9.3 | 112.3 | E251 H294 Y542 S543 E544 A548 Y549 E550 | E251-R546 IonicContact OE1-CZ 3.85Å; E251-R546 IonicContact OE1-NE 3.9Å; E251-R546 PolarHBondContact OE1-NE 3.03Å; E251-R546 IonicContact OE1-NH2 2.86Å; E251-R546 PolarHBondContact OE1-NH2 2.81Å; H294-R546 HydrophobicContact CB-CG 3.96Å; H294-R546 WeakPolarHBondContact O-CD 3.48Å; Y542-R546 PolarHBondContact O-N 2.77Å; S543-R546 WeakPolarHBondContact O-CB 3.49Å; E544-R546 VanDerWaalsContact C-N 3.32Å; E544-R546 PolarHBondContact O-N 2.78Å; R546-A548 PolarHBondContact O-N 3.11Å; R546-Y549 WeakPolarHBondContact O-CB 3.33Å; R546-Y549 PolarHBondContact O-N 3.18Å; R546-E550 WeakPolarHBondContact CD-OE1 3.36Å; R546-E550 HydrophobicContact CG-CG 4.09Å; R546-E550 WeakPolarHBondContact CG-OE1 3.33Å; R546-E550 IonicContact CZ-OE1 2.67Å; R546-E550 IonicContact NE-OE1 3.12Å; R546-E550 IonicContact NH1-OE1 2.69Å; R546-E550 PolarHBondContact NH1-OE1 2.97Å; R546-E550 PolarHBondContact O-N 3.15Å |
| 547 | C | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56 | -38.1 | -179.9 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | I478 K479 M482 S543 E544 M545 Y549 E550 V551 | I478-C547 HydrophobicContact CG2-CB 3.94Å; K479-C547 HydrophobicContact CB-CB 4.03Å; K479-C547 HydrophobicContact CG-CB 4.33Å; M482-C547 HydrophobicContact SD-CB 4.43Å; S543-C547 PolarHBondContact O-N 3.21Å; S543-C547 PolarHBondContact O-SG 3.21Å; E544-C547 WeakPolarHBondContact O-CB 3.33Å; E544-C547 PolarHBondContact O-N 3.07Å; M545-C547 VanDerWaalsContact C-N 3.32Å; M545-C547 PolarHBondContact O-N 2.85Å; C547-Y549 VanDerWaalsContact C-N 3.34Å; C547-Y549 PolarHBondContact O-N 3.23Å; C547-E550 PolarHBondContact O-N 3.36Å; C547-V551 WeakPolarHBondContact O-CB 3.33Å; C547-V551 VanDerWaalsContact O-CG2 3.25Å; C547-V551 WeakPolarHBondContact O-CG2 3.44Å; C547-V551 PolarHBondContact O-N 2.7Å |
| 548 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M482 E544 M545 R546 S552 V560 I562 | M482-A548 HydrophobicContact CE-CB 3.89Å; M482-A548 HydrophobicContact SD-CB 4.41Å; E544-A548 PolarHBondContact O-N 2.95Å; M545-A548 WeakPolarHBondContact O-CB 3.44Å; M545-A548 PolarHBondContact O-N 3.43Å; M545-A548 VanDerWaalsContact O-N 3.15Å; R546-A548 PolarHBondContact O-N 3.11Å; A548-S552 WeakPolarHBondContact O-CB 3.4Å; A548-S552 PolarHBondContact O-N 2.85Å; A548-S552 PolarHBondContact O-OG 2.74Å; A548-V560 HydrophobicContact CB-CB 4.33Å; A548-V560 HydrophobicContact CB-CG1 3.95Å; A548-I562 HydrophobicContact CB-CB 4.03Å; A548-I562 HydrophobicContact CB-CG2 3.57Å |
| 549 | Y | 97.7 | Very high | 95.8 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -46.6 | 174.5 | -70.3 | -87.5 | 0 | 0 | 0 | 111.9 | E144 S145 Q146 V147 R293 H294 M545 R546 C547 V551 S552 Q553 | E144-Y549 WeakPolarHBondContact CB-OH 3.48Å; E144-Y549 WeakPolarHBondContact OE2-CE2 3.48Å; E144-Y549 PolarHBondContact OE2-OH 3.49Å; S145-Y549 PolarHBondContact N-OH 2.94Å; Q146-Y549 HydrophobicContact CB-CD1 4.41Å; Q146-Y549 HydrophobicContact CB-CE1 3.86Å; Q146-Y549 HydrophobicContact CB-CE2 4.25Å; Q146-Y549 HydrophobicContact CG-CD1 4.11Å; Q146-Y549 HydrophobicContact CG-CE1 3.68Å; Q146-Y549 PolarHBondContact N-OH 3.08Å; Q146-Y549 VanDerWaalsContact OE1-CE1 3.3Å; V147-Y549 HydrophobicContact CG2-CE2 3.94Å; R293-Y549 PolarHBondContact NH2-OH 2.83Å; H294-Y549 AromaticContact CD2-CD2 3.83Å; H294-Y549 AromaticContact CD2-CG 3.92Å; H294-Y549 AromaticContact CE1-CD2 3.8Å; H294-Y549 AromaticContact CE1-CE2 3.9Å; H294-Y549 AromaticContact NE2-CD2 3.19Å; H294-Y549 WeakPolarHBondContact NE2-CD2 3.43Å; H294-Y549 AromaticContact NE2-CE2 3.32Å; H294-Y549 VanDerWaalsContact NE2-CE2 3.32Å; H294-Y549 WeakPolarHBondContact NE2-CE2 3.36Å; H294-Y549 AromaticContact NE2-CG 3.7Å; H294-Y549 AromaticContact NE2-CZ 3.92Å; M545-Y549 VanDerWaalsContact O-CD2 3.25Å; M545-Y549 WeakPolarHBondContact O-CD2 3.17Å; R546-Y549 WeakPolarHBondContact O-CB 3.33Å; R546-Y549 PolarHBondContact O-N 3.18Å; C547-Y549 VanDerWaalsContact C-N 3.34Å; C547-Y549 PolarHBondContact O-N 3.23Å; Y549-V551 VanDerWaalsContact C-N 3.34Å; Y549-V551 PolarHBondContact O-N 3.46Å; Y549-S552 PolarHBondContact O-N 3.41Å; Y549-Q553 WeakPolarHBondContact O-CB 3.22Å; Y549-Q553 VanDerWaalsContact O-CG 3.24Å; Y549-Q553 WeakPolarHBondContact O-CG 3.14Å; Y549-Q553 PolarHBondContact O-N 2.99Å |
| 550 | E | 97.1 | Very high | 95.8 | Very high | 51 Ų | 51 | 33.6 Ų | 33.6 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 179 | -70.5 | -178.9 | -179 | 0 | 0 | 111.3 | K479 R546 C547 Q553 A554 | K479-E550 WeakPolarHBondContact CE-OE2 3.41Å; K479-E550 IonicContact NZ-OE2 2.69Å; K479-E550 PolarHBondContact NZ-OE2 2.74Å; R546-E550 WeakPolarHBondContact CD-OE1 3.36Å; R546-E550 HydrophobicContact CG-CG 4.09Å; R546-E550 WeakPolarHBondContact CG-OE1 3.33Å; R546-E550 IonicContact CZ-OE1 2.67Å; R546-E550 IonicContact NE-OE1 3.12Å; R546-E550 IonicContact NH1-OE1 2.69Å; R546-E550 PolarHBondContact NH1-OE1 2.97Å; R546-E550 PolarHBondContact O-N 3.15Å; C547-E550 PolarHBondContact O-N 3.36Å; E550-Q553 PolarHBondContact O-N 3.32Å; E550-A554 WeakPolarHBondContact O-CB 3.38Å; E550-A554 PolarHBondContact O-N 2.8Å |
| 551 | V | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | K479 M482 E483 I486 C547 Y549 Q553 A554 H555 V560 | K479-V551 HydrophobicContact CG-CG2 3.74Å; M482-V551 HydrophobicContact CB-CB 4.49Å; M482-V551 HydrophobicContact CB-CG1 4.08Å; M482-V551 HydrophobicContact CB-CG2 4.13Å; M482-V551 HydrophobicContact SD-CG2 4.21Å; E483-V551 HydrophobicContact CG-CG2 4.21Å; I486-V551 HydrophobicContact CD1-CG1 3.39Å; C547-V551 WeakPolarHBondContact O-CB 3.33Å; C547-V551 VanDerWaalsContact O-CG2 3.25Å; C547-V551 WeakPolarHBondContact O-CG2 3.44Å; C547-V551 PolarHBondContact O-N 2.7Å; Y549-V551 VanDerWaalsContact C-N 3.34Å; Y549-V551 PolarHBondContact O-N 3.46Å; V551-Q553 VanDerWaalsContact C-N 3.3Å; V551-Q553 PolarHBondContact O-N 3.22Å; V551-A554 PolarHBondContact O-N 2.96Å; V551-H555 WeakPolarHBondContact O-CB 3.39Å; V551-H555 PolarHBondContact O-CD2 2.63Å; V551-H555 PolarHBondContact O-N 3.39Å; V551-V560 HydrophobicContact CB-CG2 4.23Å; V551-V560 HydrophobicContact CG1-CG2 3.76Å |
| 552 | S | 95.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 12% | 0.119 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | Q146 A548 Y549 H555 V560 | Q146-S552 VanDerWaalsContact NE2-CB 3.32Å; Q146-S552 PolarHBondContact NE2-OG 2.94Å; A548-S552 WeakPolarHBondContact O-CB 3.4Å; A548-S552 PolarHBondContact O-N 2.85Å; A548-S552 PolarHBondContact O-OG 2.74Å; Y549-S552 PolarHBondContact O-N 3.41Å; S552-H555 CarbonylContact O-C 3.57Å; S552-V560 WeakPolarHBondContact OG-CB 3.26Å; S552-V560 PolarHBondContact OG-N 2.6Å |
| 553 | Q | 94.2 | Very high | 95.8 | Very high | 142 Ų | 142 | 32.3 Ų | 32.3 | 66% | 0.664 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -69.4 | -38.2 | 175.4 | -72.9 | 174.3 | 11.7 | 0 | 0 | 112 | Y549 E550 V551 | Y549-Q553 WeakPolarHBondContact O-CB 3.22Å; Y549-Q553 VanDerWaalsContact O-CG 3.24Å; Y549-Q553 WeakPolarHBondContact O-CG 3.14Å; Y549-Q553 PolarHBondContact O-N 2.99Å; E550-Q553 PolarHBondContact O-N 3.32Å; V551-Q553 VanDerWaalsContact C-N 3.3Å; V551-Q553 PolarHBondContact O-N 3.22Å |
| 554 | A | 93.8 | Very high | 95.8 | Very high | 76 Ų | 76 | 32 Ų | 32 | 63% | 0.628 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -71.4 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E550 V551 | E550-A554 WeakPolarHBondContact O-CB 3.38Å; E550-A554 PolarHBondContact O-N 2.8Å; V551-A554 PolarHBondContact O-N 2.96Å |
| 555 | H | 91.5 | Very high | 95.8 | Very high | 42 Ų | 42 | 32 Ų | 32 | 19% | 0.194 | 16% | 0.164 | C | C | . | . | trans | -106.6 | 74.5 | -177.5 | -63.4 | -94.3 | 0 | 0 | 0 | 111.4 | I486 D487 V551 S552 S557 C558 | I486-H555 HydrophobicContact CD1-CB 3.99Å; I486-H555 HydrophobicContact CG2-CB 4.29Å; D487-H555 IonicContact OD1-CE1 3.04Å; V551-H555 WeakPolarHBondContact O-CB 3.39Å; V551-H555 PolarHBondContact O-CD2 2.63Å; V551-H555 PolarHBondContact O-N 3.39Å; S552-H555 CarbonylContact O-C 3.57Å; H555-S557 PolarHBondContact O-N 3.42Å; H555-C558 CarbonylContact O-C 3.45Å; H555-C558 PolarHBondContact O-N 3.45Å | ||
| 556 | K | 86.3 | Confident | 95.7 | Very high | 195 Ų | 195 | 33.2 Ų | 33.2 | 85% | 0.848 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15.7 | -176.6 | -61.9 | -177.4 | -178.2 | 176.1 | 0 | 115.5 | ||
| 557 | S | 87.3 | Confident | 95.7 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -17.2 | 174.5 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | G507 G529 S530 H555 | G507-S557 PolarHBondContact O-OG 3.15Å; G529-S557 CarbonylContact C-O 3.5Å; G529-S557 WeakPolarHBondContact CA-O 3.46Å; S530-S557 PolarHBondContact N-O 3.2Å; H555-S557 PolarHBondContact O-N 3.42Å |
| 558 | C | 92 | Very high | 95.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 119.4 | -175.7 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | I486 S530 H555 | I486-C558 HydrophobicContact CD1-CB 4.18Å; I486-C558 HydrophobicContact CG1-CB 4.17Å; I486-C558 HydrophobicContact CG2-CB 4.33Å; S530-C558 CarbonylContact O-C 3.56Å; S530-C558 WeakPolarHBondContact O-CA 3.19Å; S530-C558 PolarHBondContact O-SG 3.39Å; H555-C558 CarbonylContact O-C 3.45Å; H555-C558 PolarHBondContact O-N 3.45Å |
| 559 | E | 94.6 | Very high | 95.6 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.3 | 171.3 | 178.6 | 179.3 | -136.7 | 0 | 0 | 109.7 | S530 R531 L532 I561 | S530-E559 PolarHBondContact O-N 2.89Å; R531-E559 WeakPolarHBondContact CA-O 3.4Å; R531-E559 HydrophobicContact CG-CB 4.43Å; R531-E559 IonicContact NE-OE2 3.12Å; R531-E559 PolarHBondContact NE-OE2 2.86Å; R531-E559 VanDerWaalsContact NE-OE2 3.13Å; L532-E559 PolarHBondContact N-O 2.78Å; E559-I561 HydrophobicContact CG-CG1 4.13Å |
| 560 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.9 | 174 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | Q146 M482 I486 L532 I534 A548 V551 S552 | Q146-V560 PolarHBondContact NE2-O 3.05Å; M482-V560 HydrophobicContact CE-CG1 3.98Å; M482-V560 HydrophobicContact CG-CG1 4.14Å; M482-V560 HydrophobicContact SD-CG1 3.97Å; I486-V560 HydrophobicContact CD1-CG2 4.06Å; L532-V560 HydrophobicContact CB-CG2 4.33Å; L532-V560 HydrophobicContact CD2-CG1 4.45Å; L532-V560 HydrophobicContact CD2-CG2 4.29Å; L532-V560 CarbonylContact O-C 3.59Å; L532-V560 VanDerWaalsContact O-CA 3.32Å; L532-V560 WeakPolarHBondContact O-CA 2.98Å; I534-V560 HydrophobicContact CG1-CG1 4.15Å; A548-V560 HydrophobicContact CB-CB 4.33Å; A548-V560 HydrophobicContact CB-CG1 3.95Å; V551-V560 HydrophobicContact CB-CG2 4.23Å; V551-V560 HydrophobicContact CG1-CG2 3.76Å; S552-V560 WeakPolarHBondContact OG-CB 3.26Å; S552-V560 PolarHBondContact OG-N 2.6Å |
| 561 | I | 98.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.2 | 174.5 | -59.6 | 178.2 | 0 | 0 | 0 | 107.4 | L10 Q146 Y148 L188 L532 I533 I534 E559 | L10-I561 HydrophobicContact CD2-CG2 4.34Å; Q146-I561 WeakPolarHBondContact O-CA 3.16Å; Y148-I561 HydrophobicContact CD1-CG2 3.67Å; Y148-I561 HydrophobicContact CE1-CG2 3.89Å; L188-I561 HydrophobicContact CD1-CD1 3.7Å; L188-I561 HydrophobicContact CD2-CD1 3.56Å; L188-I561 HydrophobicContact CG-CD1 4.29Å; L532-I561 PolarHBondContact O-N 2.85Å; I533-I561 CarbonylContact C-O 3.55Å; I533-I561 WeakPolarHBondContact CA-O 3.45Å; I534-I561 PolarHBondContact N-O 3.26Å; E559-I561 HydrophobicContact CG-CG1 4.13Å |
| 562 | I | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.1 | -177.6 | -173.9 | 173.8 | 0 | 0 | 0 | 110.7 | Q146 V147 Y148 I478 M482 I534 I540 E544 A548 | Q146-I562 PolarHBondContact O-N 3.41Å; V147-I562 CarbonylContact C-O 3.4Å; V147-I562 VanDerWaalsContact CA-O 3.23Å; V147-I562 WeakPolarHBondContact CA-O 3.38Å; V147-I562 HydrophobicContact CG2-CG2 3.94Å; Y148-I562 VanDerWaalsContact CD1-O 3.31Å; Y148-I562 WeakPolarHBondContact CD1-O 3.26Å; Y148-I562 PolarHBondContact N-O 2.99Å; I478-I562 HydrophobicContact CD1-CD1 3.58Å; M482-I562 HydrophobicContact CE-CB 4.44Å; M482-I562 HydrophobicContact CE-CD1 3.87Å; I534-I562 HydrophobicContact CB-CB 4.36Å; I534-I562 HydrophobicContact CB-CG1 4.14Å; I534-I562 HydrophobicContact CG2-CG1 4.23Å; I534-I562 CarbonylContact O-C 3.59Å; I540-I562 HydrophobicContact CD1-CG1 4.25Å; I540-I562 HydrophobicContact CG2-CD1 4.07Å; I540-I562 HydrophobicContact CG2-CG1 4.29Å; E544-I562 HydrophobicContact CB-CD1 4.14Å; A548-I562 HydrophobicContact CB-CB 4.03Å; A548-I562 HydrophobicContact CB-CG2 3.57Å |
| 563 | G | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y148 I534 F535 V536 | Y148-G563 VanDerWaalsContact CE1-N 3.35Å; Y148-G563 WeakPolarHBondContact O-CA 3.32Å; I534-G563 PolarHBondContact O-N 3.49Å; F535-G563 WeakPolarHBondContact CA-O 3.2Å; V536-G563 PolarHBondContact N-O 3.2Å |
| 564 | S | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | -177.4 | -174.7 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | Y148 T149 L150 F535 V536 G539 I540 H566 | Y148-S564 PolarHBondContact O-N 3.32Å; T149-S564 CarbonylContact C-O 3.55Å; T149-S564 VanDerWaalsContact CA-O 3.27Å; T149-S564 WeakPolarHBondContact CA-O 3.19Å; L150-S564 PolarHBondContact N-O 3.06Å; F535-S564 VanDerWaalsContact CE2-C 3.43Å; F535-S564 VanDerWaalsContact CE2-CA 3.42Å; V536-S564 WeakPolarHBondContact O-CA 3.25Å; V536-S564 WeakPolarHBondContact O-CB 3.38Å; V536-S564 PolarHBondContact O-OG 3.2Å; G539-S564 WeakPolarHBondContact CA-OG 3.4Å; G539-S564 PolarHBondContact N-OG 3.45Å; I540-S564 PolarHBondContact N-OG 2.96Å; S564-H566 VanDerWaalsContact C-N 3.3Å |
| 565 | T | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -64.5 | -37.1 | 173 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | D151 V152 A155 M177 F535 G538 G539 | D151-T565 WeakPolarHBondContact CA-O 3.37Å; D151-T565 PolarHBondContact N-O 3.33Å; V152-T565 HydrophobicContact CG2-CG2 3.91Å; V152-T565 PolarHBondContact N-O 2.85Å; A155-T565 HydrophobicContact CB-CG2 3.73Å; M177-T565 HydrophobicContact SD-CG2 3.46Å; M177-T565 WeakPolarHBondContact SD-CG2 3.26Å; F535-T565 HydrophobicContact CZ-CG2 4.02Å; G538-T565 WeakPolarHBondContact CA-OG1 3.48Å; G538-T565 PolarHBondContact N-OG1 3.44Å; G539-T565 PolarHBondContact N-OG1 2.81Å |
| 566 | H | 97.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -165.3 | -179.6 | 177.5 | 63 | -63.3 | 0 | 0 | 0 | 110.6 | P153 G539 I540 S564 L568 | P153-H566 HydrophobicContact CB-CB 4.26Å; G539-H566 VanDerWaalsContact CA-O 3.25Å; G539-H566 WeakPolarHBondContact CA-O 3.45Å; I540-H566 PolarHBondContact N-O 2.97Å; I540-H566 VanDerWaalsContact N-O 3.17Å; S564-H566 VanDerWaalsContact C-N 3.3Å; H566-L568 WeakPolarHBondContact NE2-CD2 3.42Å |
| 567 | I | 98 | Very high | 96.8 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 13% | 0.133 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.9 | 175.3 | -61.6 | 168 | 0 | 0 | 0 | 109.7 | H143 T149 I540 Y542 M545 | H143-I567 HydrophobicContact CB-CD1 4.31Å; H143-I567 WeakPolarHBondContact CD2-CD1 2.99Å; H143-I567 WeakPolarHBondContact NE2-CD1 3.32Å; T149-I567 HydrophobicContact CG2-CD1 4.15Å; T149-I567 HydrophobicContact CG2-CG1 3.87Å; I540-I567 HydrophobicContact CG1-CG1 4.27Å; I540-I567 CarbonylContact O-C 3.56Å; I540-I567 WeakPolarHBondContact O-CA 3.42Å; Y542-I567 HydrophobicContact CD1-CG2 4.4Å; Y542-I567 HydrophobicContact CD2-CG2 4.3Å; Y542-I567 HydrophobicContact CE1-CG2 3.9Å; Y542-I567 HydrophobicContact CE2-CG2 3.77Å; M545-I567 HydrophobicContact CE-CD1 4.2Å; M545-I567 HydrophobicContact SD-CD1 3.89Å; M545-I567 HydrophobicContact SD-CG1 4.14Å; M545-I567 HydrophobicContact SD-CG2 4.07Å |
| 568 | L | 97 | Very high | 97.3 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 142 | -176.4 | -64.7 | 169.7 | 0 | 0 | 0 | 111.6 | I540 H566 L573 | I540-L568 PolarHBondContact O-N 3.23Å; H566-L568 WeakPolarHBondContact NE2-CD2 3.42Å; L568-L573 HydrophobicContact CD1-CD1 4.06Å; L568-L573 HydrophobicContact CD1-CD2 4.38Å; L568-L573 HydrophobicContact CD2-CB 4.13Å; L568-L573 HydrophobicContact CD2-CD1 4.05Å |
| 569 | T | 97.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | trans | -112.5 | 150.6 | 156.2 | 56.5 | 0 | 0 | 0 | 0 | 107.5 | Y259 Y542 R571 K572 L573 | Y259-T569 WeakPolarHBondContact O-CG2 3.35Å; Y542-T569 HydrophobicContact CE2-CG2 4.2Å; T569-R571 VanDerWaalsContact C-N 3.26Å; T569-R571 PolarHBondContact O-N 3.31Å; T569-R571 VanDerWaalsContact O-N 3.15Å; T569-K572 PolarHBondContact O-N 3.36Å; T569-K572 WeakPolarHBondContact OG1-CB 3.49Å; T569-K572 WeakPolarHBondContact OG1-CD 3.49Å; T569-K572 VanDerWaalsContact OG1-CG 3.29Å; T569-K572 WeakPolarHBondContact OG1-CG 3.26Å; T569-L573 PolarHBondContact O-N 3.42Å | ||
| 570 | P | 97.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 10% | 0.104 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -49.7 | -45.4 | -178.9 | -30.7 | 37.2 | 0 | 0 | 0 | 113.5 | D260 L573 L574 | D260-P570 WeakPolarHBondContact OD1-CG 3.49Å; P570-L573 PolarHBondContact O-N 3.48Å; P570-L574 WeakPolarHBondContact O-CG 3.38Å; P570-L574 PolarHBondContact O-N 2.88Å |
| 571 | R | 96.3 | Very high | 97.5 | Very high | 136 Ų | 136 | 30.4 Ų | 30.4 | 51% | 0.513 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.2 | -53.5 | 179.4 | -170 | 173.1 | -66 | -119.4 | -6.7 | 113.1 | D400 T569 L573 L574 D575 | D400-R571 IonicContact OD2-NH2 2.65Å; D400-R571 PolarHBondContact OD2-NH2 2.7Å; T569-R571 VanDerWaalsContact C-N 3.26Å; T569-R571 PolarHBondContact O-N 3.31Å; T569-R571 VanDerWaalsContact O-N 3.15Å; R571-L573 VanDerWaalsContact C-N 3.29Å; R571-L573 PolarHBondContact O-N 2.74Å; R571-L574 PolarHBondContact O-N 3.19Å; R571-L574 VanDerWaalsContact O-N 3.16Å; R571-D575 PolarHBondContact O-N 3.16Å |
| 572 | K | 96.1 | Very high | 97.2 | Very high | 117 Ų | 117 | 33.5 Ų | 33.5 | 51% | 0.509 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.5 | -41.6 | 177.3 | -69.9 | 178.1 | -176.3 | 173.1 | 0 | 112.4 | T569 D575 D576 | T569-K572 PolarHBondContact O-N 3.36Å; T569-K572 WeakPolarHBondContact OG1-CB 3.49Å; T569-K572 WeakPolarHBondContact OG1-CD 3.49Å; T569-K572 VanDerWaalsContact OG1-CG 3.29Å; T569-K572 WeakPolarHBondContact OG1-CG 3.26Å; K572-D575 PolarHBondContact O-N 3.31Å; K572-D576 PolarHBondContact O-N 2.83Å |
| 573 | L | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.4 | 177.7 | 63.5 | 0 | 0 | 0 | 111.6 | F156 T247 W442 L568 T569 P570 R571 D575 D576 I577 | F156-L573 HydrophobicContact CE2-CD1 3.67Å; F156-L573 HydrophobicContact CZ-CD1 3.66Å; T247-L573 VanDerWaalsContact CB-CD2 3.4Å; T247-L573 HydrophobicContact CG2-CD2 3.93Å; W442-L573 HydrophobicContact CH2-CD2 3.84Å; W442-L573 HydrophobicContact CZ2-CD2 4.06Å; L568-L573 HydrophobicContact CD1-CD1 4.06Å; L568-L573 HydrophobicContact CD1-CD2 4.38Å; L568-L573 HydrophobicContact CD2-CB 4.13Å; L568-L573 HydrophobicContact CD2-CD1 4.05Å; T569-L573 PolarHBondContact O-N 3.42Å; P570-L573 PolarHBondContact O-N 3.48Å; R571-L573 VanDerWaalsContact C-N 3.29Å; R571-L573 PolarHBondContact O-N 2.74Å; L573-D575 VanDerWaalsContact C-N 3.3Å; L573-D575 PolarHBondContact O-N 3.1Å; L573-D576 PolarHBondContact O-N 3.48Å; L573-I577 HydrophobicContact CD1-CD1 3.92Å; L573-I577 HydrophobicContact CD1-CG1 4.09Å; L573-I577 HydrophobicContact CD2-CD1 4.35Å; L573-I577 HydrophobicContact CG-CD1 3.8Å; L573-I577 HydrophobicContact CG-CG1 4.32Å; L573-I577 WeakPolarHBondContact O-CB 3.44Å; L573-I577 VanDerWaalsContact O-CG1 3.28Å; L573-I577 WeakPolarHBondContact O-CG1 3.22Å; L573-I577 PolarHBondContact O-N 2.95Å |
| 574 | L | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 178.9 | -68.7 | 175.7 | 0 | 0 | 0 | 111.4 | V248 I405 R406 L409 M438 P570 R571 I577 K578 | V248-L574 HydrophobicContact CG1-CD2 4.36Å; I405-L574 HydrophobicContact CG2-CD1 4.28Å; I405-L574 HydrophobicContact CG2-CD2 4.35Å; R406-L574 HydrophobicContact CG-CD1 4.03Å; L409-L574 HydrophobicContact CD1-CD2 3.53Å; M438-L574 HydrophobicContact CB-CD2 4.48Å; M438-L574 HydrophobicContact CE-CB 4.32Å; M438-L574 HydrophobicContact CG-CB 4.4Å; M438-L574 HydrophobicContact SD-CB 3.97Å; P570-L574 WeakPolarHBondContact O-CG 3.38Å; P570-L574 PolarHBondContact O-N 2.88Å; R571-L574 PolarHBondContact O-N 3.19Å; R571-L574 VanDerWaalsContact O-N 3.16Å; L574-I577 PolarHBondContact O-N 3.41Å; L574-K578 WeakPolarHBondContact O-CB 3.38Å; L574-K578 PolarHBondContact O-N 2.88Å |
| 575 | D | 97 | Very high | 93.4 | Very high | 77 Ų | 77 | 42 Ų | 42 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.3 | -66.1 | -30.4 | 0 | 0 | 0 | 111.5 | M438 R571 K572 L573 I577 K578 M579 | M438-D575 WeakPolarHBondContact CE-OD1 3.45Å; R571-D575 PolarHBondContact O-N 3.16Å; K572-D575 PolarHBondContact O-N 3.31Å; L573-D575 VanDerWaalsContact C-N 3.3Å; L573-D575 PolarHBondContact O-N 3.1Å; D575-I577 PolarHBondContact O-N 3.32Å; D575-K578 WeakPolarHBondContact O-CB 3.37Å; D575-K578 PolarHBondContact O-N 3.07Å; D575-M579 WeakPolarHBondContact O-CG 3.28Å; D575-M579 PolarHBondContact O-N 3.19Å |
| 576 | D | 97.3 | Very high | 90.9 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 177.9 | -73.1 | -26.1 | 0 | 0 | 0 | 112.1 | F156 K572 L573 M579 L580 | F156-D576 HydrophobicContact CD1-CB 3.67Å; F156-D576 HydrophobicContact CE1-CB 3.72Å; F156-D576 HydrophobicContact CG-CB 4.5Å; K572-D576 PolarHBondContact O-N 2.83Å; L573-D576 PolarHBondContact O-N 3.48Å; D576-M579 PolarHBondContact O-N 3.35Å; D576-L580 PolarHBondContact O-N 3.09Å |
| 577 | I | 98.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.5 | -72.4 | 176.6 | 0 | 0 | 0 | 110.8 | F156 N441 W442 L573 L574 D575 M579 L580 | F156-I577 HydrophobicContact CE1-CG1 3.98Å; F156-I577 HydrophobicContact CZ-CD1 4.43Å; F156-I577 HydrophobicContact CZ-CG1 3.62Å; N441-I577 HydrophobicContact CB-CG2 3.72Å; N441-I577 VanDerWaalsContact CB-O 3.3Å; N441-I577 WeakPolarHBondContact CB-O 3.34Å; N441-I577 PolarHBondContact ND2-O 3.07Å; W442-I577 HydrophobicContact CD2-CD1 3.72Å; W442-I577 HydrophobicContact CE3-CD1 4.23Å; W442-I577 HydrophobicContact CG-CD1 4.28Å; W442-I577 HydrophobicContact CH2-CD1 3.8Å; W442-I577 HydrophobicContact CZ2-CD1 3.25Å; W442-I577 HydrophobicContact CZ3-CD1 4.27Å; L573-I577 HydrophobicContact CD1-CD1 3.92Å; L573-I577 HydrophobicContact CD1-CG1 4.09Å; L573-I577 HydrophobicContact CD2-CD1 4.35Å; L573-I577 HydrophobicContact CG-CD1 3.8Å; L573-I577 HydrophobicContact CG-CG1 4.32Å; L573-I577 WeakPolarHBondContact O-CB 3.44Å; L573-I577 VanDerWaalsContact O-CG1 3.28Å; L573-I577 WeakPolarHBondContact O-CG1 3.22Å; L573-I577 PolarHBondContact O-N 2.95Å; L574-I577 PolarHBondContact O-N 3.41Å; D575-I577 PolarHBondContact O-N 3.32Å; I577-M579 PolarHBondContact O-N 2.89Å; I577-M579 VanDerWaalsContact O-N 3.12Å; I577-L580 HydrophobicContact CG1-CD1 4.48Å; I577-L580 PolarHBondContact O-N 3.43Å; I577-L580 VanDerWaalsContact O-N 3.17Å |
| 578 | K | 97.4 | Very high | 85.8 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.5 | -28.5 | 176.4 | -163.3 | -179.4 | 176.8 | 168.7 | 0 | 112.5 | D434 D435 D437 M438 L574 D575 K582 | D434-K578 WeakPolarHBondContact O-CE 3.42Å; D434-K578 PolarHBondContact O-NZ 3.27Å; D435-K578 IonicContact OD1-NZ 2.81Å; D435-K578 PolarHBondContact OD1-NZ 3.04Å; D437-K578 HydrophobicContact CB-CG 3.88Å; M438-K578 HydrophobicContact CE-CB 4.35Å; M438-K578 HydrophobicContact CE-CD 3.8Å; M438-K578 HydrophobicContact CG-CB 3.75Å; M438-K578 HydrophobicContact CG-CD 4.08Å; M438-K578 HydrophobicContact CG-CG 3.97Å; L574-K578 WeakPolarHBondContact O-CB 3.38Å; L574-K578 PolarHBondContact O-N 2.88Å; D575-K578 WeakPolarHBondContact O-CB 3.37Å; D575-K578 PolarHBondContact O-N 3.07Å; K578-K582 WeakPolarHBondContact O-CE 3.47Å |
| 579 | M | 96 | Very high | 82.6 | Confident | 52 Ų | 52 | 59 Ų | 59 | 26% | 0.256 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -90.4 | -10.4 | -176.1 | -64.5 | -59.1 | 116.9 | 0 | 0 | 114.3 | Y157 D575 D576 I577 N581 K582 V587 | Y157-M579 WeakPolarHBondContact CE2-O 3.49Å; D575-M579 WeakPolarHBondContact O-CG 3.28Å; D575-M579 PolarHBondContact O-N 3.19Å; D576-M579 PolarHBondContact O-N 3.35Å; I577-M579 PolarHBondContact O-N 2.89Å; I577-M579 VanDerWaalsContact O-N 3.12Å; M579-N581 VanDerWaalsContact C-N 3.33Å; M579-N581 PolarHBondContact O-N 3.02Å; M579-K582 HydrophobicContact CE-CD 4Å; M579-K582 WeakPolarHBondContact O-CB 3.45Å; M579-K582 PolarHBondContact O-N 3.19Å; M579-K582 HydrophobicContact SD-CD 3.87Å; M579-V587 HydrophobicContact SD-CG2 4.39Å |
| 580 | L | 97.1 | Very high | 79.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -39.2 | -170.9 | -73.1 | 176.3 | 0 | 0 | 0 | 114.4 | F156 Y157 P162 N441 H444 L445 D576 I577 K582 | F156-L580 HydrophobicContact CD1-CD2 3.97Å; F156-L580 HydrophobicContact CE1-CD1 3.99Å; F156-L580 HydrophobicContact CE1-CD2 3.78Å; F156-L580 HydrophobicContact CE1-CG 4.05Å; F156-L580 HydrophobicContact CZ-CD1 4.39Å; Y157-L580 HydrophobicContact CD2-CD2 4.46Å; P162-L580 WeakPolarHBondContact CD-O 3.39Å; N441-L580 HydrophobicContact CB-CB 4.3Å; N441-L580 HydrophobicContact CB-CD1 4.27Å; H444-L580 HydrophobicContact CB-CD1 4.44Å; L445-L580 HydrophobicContact CD1-CD1 3.5Å; L445-L580 VanDerWaalsContact CD1-CD1 3.5Å; D576-L580 PolarHBondContact O-N 3.09Å; I577-L580 HydrophobicContact CG1-CD1 4.48Å; I577-L580 PolarHBondContact O-N 3.43Å; I577-L580 VanDerWaalsContact O-N 3.17Å; L580-K582 VanDerWaalsContact C-N 3.32Å |
| 581 | N | 94.6 | Very high | 76.4 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 5.9 | 178.9 | 63.8 | -9.1 | 0 | 0 | 0 | 113.4 | D437 N441 M579 | D437-N581 PolarHBondContact OD1-ND2 3.33Å; N441-N581 VanDerWaalsContact ND2-CG 3.31Å; N441-N581 PolarHBondContact ND2-OD1 3.02Å; N441-N581 VanDerWaalsContact ND2-OD1 3.1Å; N441-N581 PolarHBondContact OD1-ND2 3.35Å; M579-N581 VanDerWaalsContact C-N 3.33Å; M579-N581 PolarHBondContact O-N 3.02Å |
| 582 | K | 91.9 | Very high | 73.2 | Confident | 67 Ų | 67 | 72 Ų | 72 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -104 | 137.3 | 180 | -59.2 | 179.8 | -175 | 172.3 | 0 | 109.7 | Y157 D437 K578 M579 L580 K584 | Y157-K582 VanDerWaalsContact CE2-O 3.29Å; Y157-K582 WeakPolarHBondContact CE2-O 3.46Å; Y157-K582 PolarHBondContact OH-O 3.27Å; D437-K582 WeakPolarHBondContact OD2-CE 3.5Å; D437-K582 IonicContact OD2-NZ 3.46Å; D437-K582 PolarHBondContact OD2-NZ 3.39Å; K578-K582 WeakPolarHBondContact O-CE 3.47Å; M579-K582 HydrophobicContact CE-CD 4Å; M579-K582 WeakPolarHBondContact O-CB 3.45Å; M579-K582 PolarHBondContact O-N 3.19Å; M579-K582 HydrophobicContact SD-CD 3.87Å; L580-K582 VanDerWaalsContact C-N 3.32Å; K582-K584 PolarHBondContact O-N 3.04Å |
| 583 | S | 81.3 | Confident | 70 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | trans | -68.4 | 124.5 | 177 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | D585 K586 | S583-D585 PolarHBondContact O-N 3.47Å; S583-K586 WeakPolarHBondContact O-CB 3.35Å; S583-K586 PolarHBondContact O-N 3.29Å | ||
| 584 | K | 71.9 | Confident | 68.6 | Low | 42 Ų | 42 | 80.9 Ų | 80.9 | 18% | 0.183 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.8 | -30.4 | 178.6 | -106 | -172.8 | 177 | -174.7 | 0 | 113.7 | D154 Y157 Y158 K582 K586 V587 S588 | D154-K584 IonicContact OD1-NZ 2.96Å; D154-K584 PolarHBondContact OD1-NZ 3.13Å; D154-K584 IonicContact OD2-NZ 3.73Å; Y157-K584 HydrophobicContact CD1-CD 3.52Å; Y157-K584 HydrophobicContact CD1-CG 3.95Å; Y157-K584 HydrophobicContact CD2-CG 4.39Å; Y157-K584 HydrophobicContact CE1-CB 4Å; Y157-K584 HydrophobicContact CE1-CD 3.63Å; Y157-K584 HydrophobicContact CE1-CG 3.65Å; Y157-K584 HydrophobicContact CE2-CG 4.13Å; Y157-K584 HydrophobicContact CG-CD 4.05Å; Y157-K584 HydrophobicContact CG-CG 4.3Å; Y157-K584 PolarHBondContact OH-N 3.01Å; Y157-K584 VanDerWaalsContact OH-N 3.15Å; Y158-K584 HydrophobicContact CE1-CD 4.19Å; K582-K584 PolarHBondContact O-N 3.04Å; K584-K586 PolarHBondContact O-N 3.32Å; K584-V587 WeakPolarHBondContact O-CB 3.12Å; K584-V587 PolarHBondContact O-N 3.41Å; K584-S588 PolarHBondContact O-N 2.74Å |
| 585 | D | 63.6 | Low | 67 | Low | 98 Ų | 98 | 85.1 Ų | 85.1 | 52% | 0.524 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.7 | -18.6 | 177.8 | -61.4 | -18.6 | 0 | 0 | 0 | 111.8 | R169 S583 F589 | R169-D585 IonicContact NH1-OD1 3.96Å; R169-D585 IonicContact NH2-OD1 2.81Å; S583-D585 PolarHBondContact O-N 3.47Å; D585-F589 WeakPolarHBondContact O-CD2 3.21Å; D585-F589 VanDerWaalsContact O-CE2 3.32Å; D585-F589 WeakPolarHBondContact O-CE2 3.3Å |
| 586 | K | 46.8 | Very low | 65.4 | Low | 155 Ų | 155 | 85.6 Ų | 85.6 | 67% | 0.674 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -88.4 | -16.6 | 170 | -63.4 | -176.2 | 177.2 | -178.5 | 0 | 113.3 | S583 K584 | S583-K586 WeakPolarHBondContact O-CB 3.35Å; S583-K586 PolarHBondContact O-N 3.29Å; K584-K586 PolarHBondContact O-N 3.32Å |
| 587 | V | 46.1 | Very low | 63.5 | Low | 28 Ų | 28 | 87.2 Ų | 87.2 | 17% | 0.17 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -86 | -29.1 | -172.6 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | M579 K584 F589 L590 | M579-V587 HydrophobicContact SD-CG2 4.39Å; K584-V587 WeakPolarHBondContact O-CB 3.12Å; K584-V587 PolarHBondContact O-N 3.41Å; V587-F589 PolarHBondContact O-N 3.41Å; V587-F589 VanDerWaalsContact O-N 3.16Å; V587-L590 PolarHBondContact O-N 3.27Å |
| 588 | S | 41.5 | Very low | 61.3 | Low | 74 Ų | 74 | 92.7 Ų | 92.7 | 52% | 0.517 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.4 | 169.6 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | K584 | K584-S588 PolarHBondContact O-N 2.74Š|
| 589 | F | 29.7 | Very low | 58.9 | Low | 153 Ų | 153 | 96.3 Ų | 96.3 | 67% | 0.671 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -17 | 175.3 | -65.3 | -81.6 | 0 | 0 | 0 | 114.3 | D585 V587 | D585-F589 WeakPolarHBondContact O-CD2 3.21Å; D585-F589 VanDerWaalsContact O-CE2 3.32Å; D585-F589 WeakPolarHBondContact O-CE2 3.3Å; V587-F589 PolarHBondContact O-N 3.41Å; V587-F589 VanDerWaalsContact O-N 3.16Å |
| 590 | L | 33.1 | Very low | 56.3 | Low | 114 Ų | 114 | 99.5 Ų | 99.5 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -9.5 | -177.5 | -72.4 | 169.6 | 0 | 0 | 0 | 113.9 | V587 | V587-L590 PolarHBondContact O-N 3.27Š|
| 591 | K | 32.1 | Very low | 53.1 | Low | 177 Ų | 177 | 107.1 Ų | 107.1 | 77% | 0.77 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -95 | -9 | 175 | -78.2 | -173.3 | 175.5 | 179.9 | 0 | 113.6 | ||
| 592 | D | 28.4 | Very low | 49.7 | Very low | 151 Ų | 151 | 110.3 Ų | 110.3 | 81% | 0.807 | 54% | 0.544 | S | S | * | . | trans | -104.7 | 6.3 | 179.9 | -73.5 | -14.5 | 0 | 0 | 0 | 113.1 | ||||
| 593 | E | 29.8 | Very low | 45.8 | Very low | 225 Ų | 225 | 114.2 Ų | 114.2 | 100% | 1.051 | 57% | 0.567 | S | S | * | * | trans | -108.2 | 0 | 163.8 | -68.9 | -172.6 | 166.4 | 0 | 0 | 109.8 |
Retrieved 593 of 593 residues in 1405.3 ms
(Link to these results)