| 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 | 89.2 | Confident | 94.8 | Very high | 104 Ų | 104 | 89.9 Ų | 89.9 | 51% | 0.512 | 43% | 0.434 | S | S | . | . | 0 | -50.5 | 0 | -78.4 | -52 | 178.8 | 0 | 0 | 113.6 | H3 R4 I5 V180 Y182 | M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.4Å; M1-R4 WeakPolarHBondContact O-CB 3.39Å; M1-R4 PolarHBondContact O-N 3.29Å; M1-I5 PolarHBondContact O-N 3.38Å; M1-I5 VanDerWaalsContact O-N 3.15Å; M1-V180 WeakPolarHBondContact CE-O 3.32Å; M1-Y182 HydrophobicContact CE-CD2 3.58Å; M1-Y182 HydrophobicContact CE-CE2 3.08Å | |||
| 2 | L | 91.9 | Very high | 95 | Very high | 137 Ų | 137 | 83.3 Ų | 83.3 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -51.3 | -46.2 | -177.3 | -175.8 | 62.9 | 0 | 0 | 0 | 114.2 | R4 I5 L6 | L2-R4 VanDerWaalsContact C-N 3.26Å; L2-R4 PolarHBondContact O-N 3.07Å; L2-I5 WeakPolarHBondContact O-CB 3.44Å; L2-I5 PolarHBondContact O-N 3.44Å; L2-I5 VanDerWaalsContact O-N 3.09Å; L2-L6 PolarHBondContact O-N 3.3Å |
| 3 | H | 94.9 | Very high | 95.1 | Very high | 145 Ų | 145 | 82.5 Ų | 82.5 | 67% | 0.671 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -55.9 | -39.3 | 175.8 | 179.3 | -87.5 | 0 | 0 | 0 | 113 | M1 L6 Y7 | M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.4Å; H3-L6 PolarHBondContact O-N 3.47Å; H3-Y7 VanDerWaalsContact O-CB 3.29Å; H3-Y7 WeakPolarHBondContact O-CB 3.35Å; H3-Y7 PolarHBondContact O-N 3.29Å |
| 4 | R | 94 | Very high | 95.2 | Very high | 116 Ų | 116 | 84.4 Ų | 84.4 | 44% | 0.438 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 177.7 | -61.3 | -175.1 | 175.9 | -176.2 | -4.2 | 111.2 | M1 L2 V8 F181 | M1-R4 WeakPolarHBondContact O-CB 3.39Å; M1-R4 PolarHBondContact O-N 3.29Å; L2-R4 VanDerWaalsContact C-N 3.26Å; L2-R4 PolarHBondContact O-N 3.07Å; R4-V8 WeakPolarHBondContact O-CB 3.49Å; R4-V8 VanDerWaalsContact O-CG2 3.25Å; R4-V8 WeakPolarHBondContact O-CG2 3.36Å; R4-V8 PolarHBondContact O-N 3.48Å; R4-F181 HydrophobicContact CB-CE1 4.33Å; R4-F181 HydrophobicContact CB-CZ 4.15Å |
| 5 | I | 94.5 | Very high | 95.3 | Very high | 64 Ų | 64 | 82.3 Ų | 82.3 | 33% | 0.328 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 175.7 | -64.9 | 171 | 0 | 0 | 0 | 110 | M1 L2 V8 T9 L157 F181 | M1-I5 PolarHBondContact O-N 3.38Å; M1-I5 VanDerWaalsContact O-N 3.15Å; L2-I5 WeakPolarHBondContact O-CB 3.44Å; L2-I5 PolarHBondContact O-N 3.44Å; L2-I5 VanDerWaalsContact O-N 3.09Å; I5-V8 PolarHBondContact O-N 3.11Å; I5-T9 WeakPolarHBondContact O-CB 3.5Å; I5-T9 PolarHBondContact O-N 3.17Å; I5-T9 PolarHBondContact O-OG1 2.9Å; I5-L157 HydrophobicContact CG2-CD2 3.55Å; I5-F181 HydrophobicContact CG1-CE1 3.86Å |
| 6 | L | 95.8 | Very high | 95.4 | Very high | 98 Ų | 98 | 77.4 Ų | 77.4 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 179.5 | -177.5 | 63 | 0 | 0 | 0 | 111.5 | L2 H3 V8 T9 I10 | L2-L6 PolarHBondContact O-N 3.3Å; H3-L6 PolarHBondContact O-N 3.47Å; L6-V8 PolarHBondContact O-N 2.68Å; L6-T9 PolarHBondContact O-N 3.31Å; L6-I10 HydrophobicContact CD1-CD1 3.85Å; L6-I10 HydrophobicContact CD1-CG1 4.26Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.36Å |
| 7 | Y | 96.3 | Very high | 95.5 | Very high | 151 Ų | 151 | 76.5 Ų | 76.5 | 59% | 0.592 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55.2 | -51.8 | 175.9 | 178.6 | -94 | 0 | 0 | 0 | 111.2 | H3 T9 I10 S11 | H3-Y7 VanDerWaalsContact O-CB 3.29Å; H3-Y7 WeakPolarHBondContact O-CB 3.35Å; H3-Y7 PolarHBondContact O-N 3.29Å; Y7-T9 PolarHBondContact O-N 2.98Å; Y7-I10 PolarHBondContact O-N 2.98Å; Y7-S11 WeakPolarHBondContact O-CB 3.48Å; Y7-S11 PolarHBondContact O-N 3.47Å; Y7-S11 PolarHBondContact O-OG 3.32Å |
| 8 | V | 96.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 78.8 Ų | 78.8 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | -180 | 168.8 | 0 | 0 | 0 | 0 | 112.1 | R4 I5 L6 L12 N160 F177 F181 | R4-V8 WeakPolarHBondContact O-CB 3.49Å; R4-V8 VanDerWaalsContact O-CG2 3.25Å; R4-V8 WeakPolarHBondContact O-CG2 3.36Å; R4-V8 PolarHBondContact O-N 3.48Å; I5-V8 PolarHBondContact O-N 3.11Å; L6-V8 PolarHBondContact O-N 2.68Å; V8-L12 HydrophobicContact CG1-CD1 3.51Å; V8-L12 HydrophobicContact CG1-CG 4.32Å; V8-L12 VanDerWaalsContact O-CB 3.27Å; V8-L12 WeakPolarHBondContact O-CB 3.43Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.09Å; V8-L12 PolarHBondContact O-N 3.49Å; V8-N160 HydrophobicContact CG1-CB 4.37Å; V8-F177 HydrophobicContact CG1-CE2 4.27Å; V8-F177 HydrophobicContact CG1-CZ 4.08Å; V8-F177 HydrophobicContact CG2-CE2 3.72Å; V8-F177 HydrophobicContact CG2-CZ 4.25Å; V8-F181 HydrophobicContact CB-CZ 4.37Å; V8-F181 HydrophobicContact CG2-CE2 4.03Å; V8-F181 HydrophobicContact CG2-CZ 3.76Å |
| 9 | T | 96.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 77.2 Ų | 77.2 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 177.4 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | I5 L6 Y7 F13 N160 | I5-T9 WeakPolarHBondContact O-CB 3.5Å; I5-T9 PolarHBondContact O-N 3.17Å; I5-T9 PolarHBondContact O-OG1 2.9Å; L6-T9 PolarHBondContact O-N 3.31Å; Y7-T9 PolarHBondContact O-N 2.98Å; T9-F13 WeakPolarHBondContact O-CB 3.47Å; T9-F13 PolarHBondContact O-N 3.09Å; T9-N160 PolarHBondContact OG1-ND2 3.38Å |
| 10 | I | 96.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 73.9 Ų | 73.9 | 46% | 0.456 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.9 | -50.2 | 179.4 | -65.1 | 170.1 | 0 | 0 | 0 | 110.4 | L6 Y7 L12 F13 L14 | L6-I10 HydrophobicContact CD1-CD1 3.85Å; L6-I10 HydrophobicContact CD1-CG1 4.26Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.36Å; Y7-I10 PolarHBondContact O-N 2.98Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.08Å; I10-F13 PolarHBondContact O-N 3.37Å; I10-L14 HydrophobicContact CG2-CD1 4.11Å; I10-L14 HydrophobicContact CG2-CG 4.5Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.31Å |
| 11 | S | 96.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 77.5 Ų | 77.5 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.4 | -43.6 | -178.2 | -63 | 0 | 0 | 0 | 0 | 112.2 | Y7 L14 I15 | Y7-S11 WeakPolarHBondContact O-CB 3.48Å; Y7-S11 PolarHBondContact O-N 3.47Å; Y7-S11 PolarHBondContact O-OG 3.32Å; S11-L14 PolarHBondContact O-N 3.24Å; S11-I15 WeakPolarHBondContact O-CG1 3.45Å; S11-I15 PolarHBondContact O-N 3.03Å |
| 12 | L | 96.6 | Very high | 96 | Very high | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -77.8 | -31.4 | -178.5 | -67.4 | 173.8 | 0 | 0 | 0 | 112.9 | V8 I10 L14 I15 R16 N160 Q163 A164 H167 | V8-L12 HydrophobicContact CG1-CD1 3.51Å; V8-L12 HydrophobicContact CG1-CG 4.32Å; V8-L12 VanDerWaalsContact O-CB 3.27Å; V8-L12 WeakPolarHBondContact O-CB 3.43Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.09Å; V8-L12 PolarHBondContact O-N 3.49Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.08Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-I15 HydrophobicContact CD2-CD1 4.04Å; L12-I15 PolarHBondContact O-N 3.39Å; L12-R16 WeakPolarHBondContact O-CG 3.4Å; L12-R16 PolarHBondContact O-N 3.4Å; L12-R16 PolarHBondContact O-NH1 3.42Å; L12-N160 VanDerWaalsContact CD1-C 3.43Å; L12-N160 HydrophobicContact CD1-CB 3.94Å; L12-N160 WeakPolarHBondContact CD1-O 3.25Å; L12-Q163 HydrophobicContact CD1-CG 3.91Å; L12-Q163 HydrophobicContact CD2-CG 4Å; L12-Q163 HydrophobicContact CG-CG 4.4Å; L12-A164 HydrophobicContact CD1-CB 4.16Å; L12-H167 VanDerWaalsContact CD2-CD2 3.47Å; L12-H167 WeakPolarHBondContact CD2-CD2 3.49Å |
| 13 | F | 96.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 168.3 | 175.8 | -99.6 | 0 | 0 | 0 | 111.4 | T9 I10 R16 Q17 F57 E61 | T9-F13 WeakPolarHBondContact O-CB 3.47Å; T9-F13 PolarHBondContact O-N 3.09Å; I10-F13 PolarHBondContact O-N 3.37Å; F13-R16 PolarHBondContact O-N 2.96Å; F13-Q17 VanDerWaalsContact CZ-NE2 3.3Å; F13-Q17 WeakPolarHBondContact O-CG 3.45Å; F13-Q17 PolarHBondContact O-N 3.04Å; F13-Q17 PolarHBondContact O-NE2 3.36Å; F13-F57 HydrophobicContact CE2-CE2 4.48Å; F13-F57 HydrophobicContact CE2-CZ 4.19Å; F13-F57 HydrophobicContact CZ-CZ 4.29Å; F13-E61 HydrophobicContact CE2-CG 4.23Å |
| 14 | L | 97 | Very high | 96.2 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 175.9 | -68.4 | 174.9 | 0 | 0 | 0 | 111.9 | I10 S11 L12 R16 Q17 | I10-L14 HydrophobicContact CG2-CD1 4.11Å; I10-L14 HydrophobicContact CG2-CG 4.5Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.31Å; S11-L14 PolarHBondContact O-N 3.24Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.45Å; L14-Q17 WeakPolarHBondContact O-CB 3.39Å; L14-Q17 WeakPolarHBondContact O-CG 3.27Å; L14-Q17 PolarHBondContact O-N 3Å |
| 15 | I | 96.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 63 Ų | 63 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 176.2 | -72.6 | 164 | 0 | 0 | 0 | 111.4 | S11 L12 Q17 K18 Y19 H167 | S11-I15 WeakPolarHBondContact O-CG1 3.45Å; S11-I15 PolarHBondContact O-N 3.03Å; L12-I15 HydrophobicContact CD2-CD1 4.04Å; L12-I15 PolarHBondContact O-N 3.39Å; I15-Q17 PolarHBondContact O-N 2.97Å; I15-K18 HydrophobicContact CG2-CD 4.49Å; I15-K18 WeakPolarHBondContact O-CG 3.44Å; I15-K18 PolarHBondContact O-N 2.89Å; I15-Y19 HydrophobicContact CG2-CE2 4.12Å; I15-H167 WeakPolarHBondContact CG2-CE1 3.32Å |
| 16 | R | 96.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -30.1 | 176.9 | -76.3 | -167.6 | -61.9 | -81 | 11.4 | 113.5 | L12 F13 L14 K18 Y19 Y20 E61 W73 N160 | L12-R16 WeakPolarHBondContact O-CG 3.4Å; L12-R16 PolarHBondContact O-N 3.4Å; L12-R16 PolarHBondContact O-NH1 3.42Å; F13-R16 PolarHBondContact O-N 2.96Å; L14-R16 VanDerWaalsContact C-N 3.29Å; L14-R16 PolarHBondContact O-N 3.45Å; R16-K18 PolarHBondContact O-N 3.14Å; R16-K18 VanDerWaalsContact O-N 3.17Å; R16-Y19 WeakPolarHBondContact O-CB 3.38Å; R16-Y19 PolarHBondContact O-N 3.29Å; R16-Y20 HydrophobicContact CB-CE2 3.91Å; R16-Y20 PolarHBondContact O-N 3.29Å; R16-Y20 VanDerWaalsContact O-N 3.1Å; R16-E61 IonicContact CZ-OE1 3.85Å; R16-E61 IonicContact CZ-OE2 3.29Å; R16-E61 IonicContact NE-OE1 3.93Å; R16-E61 PolarHBondContact NE-OE1 3Å; R16-E61 IonicContact NE-OE2 2.66Å; R16-E61 IonicContact NH2-OE1 2.93Å; R16-E61 PolarHBondContact NH2-OE1 3.18Å; R16-E61 IonicContact NH2-OE2 2.86Å; R16-E61 PolarHBondContact NH2-OE2 2.99Å; R16-W73 HydrophobicContact CB-CH2 4.31Å; R16-W73 HydrophobicContact CB-CZ3 4.27Å; R16-W73 HydrophobicContact CG-CH2 3.78Å; R16-W73 HydrophobicContact CG-CZ3 3.89Å; R16-N160 PolarHBondContact NH1-OD1 3.06Å; R16-N160 PolarHBondContact NH2-OD1 3.3Å |
| 17 | Q | 96.9 | Very high | 96.2 | Very high | 63 Ų | 63 | 59 Ų | 59 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.7 | -34.1 | -178.7 | -54.3 | -48.4 | -51.7 | 0 | 0 | 112.7 | F13 L14 I15 Y19 Y20 F21 | F13-Q17 VanDerWaalsContact CZ-NE2 3.3Å; F13-Q17 WeakPolarHBondContact O-CG 3.45Å; F13-Q17 PolarHBondContact O-N 3.04Å; F13-Q17 PolarHBondContact O-NE2 3.36Å; L14-Q17 WeakPolarHBondContact O-CB 3.39Å; L14-Q17 WeakPolarHBondContact O-CG 3.27Å; L14-Q17 PolarHBondContact O-N 3Å; I15-Q17 PolarHBondContact O-N 2.97Å; Q17-Y19 VanDerWaalsContact C-N 3.27Å; Q17-Y19 PolarHBondContact O-N 3.39Å; Q17-Y20 PolarHBondContact O-N 3.43Å; Q17-F21 WeakPolarHBondContact O-CB 3.28Å; Q17-F21 PolarHBondContact O-N 2.93Å |
| 18 | K | 96.5 | Very high | 96.1 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 176.7 | 84.7 | -164.8 | 175.8 | 169.9 | 0 | 112.5 | I15 R16 A22 | I15-K18 HydrophobicContact CG2-CD 4.49Å; I15-K18 WeakPolarHBondContact O-CG 3.44Å; I15-K18 PolarHBondContact O-N 2.89Å; R16-K18 PolarHBondContact O-N 3.14Å; R16-K18 VanDerWaalsContact O-N 3.17Å; K18-A22 WeakPolarHBondContact O-CB 3.35Å; K18-A22 PolarHBondContact O-N 3.03Å; K18-A22 VanDerWaalsContact O-N 3.08Å |
| 19 | Y | 96.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 60 Ų | 60 | 19% | 0.192 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.6 | -43.5 | 177.3 | -62 | -85.5 | 0 | 0 | 0 | 110.8 | I15 R16 Q17 F21 A22 W23 W73 F166 H167 | I15-Y19 HydrophobicContact CG2-CE2 4.12Å; R16-Y19 WeakPolarHBondContact O-CB 3.38Å; R16-Y19 PolarHBondContact O-N 3.29Å; Q17-Y19 VanDerWaalsContact C-N 3.27Å; Q17-Y19 PolarHBondContact O-N 3.39Å; Y19-F21 VanDerWaalsContact C-N 3.27Å; Y19-F21 PolarHBondContact O-N 3.38Å; Y19-A22 PolarHBondContact O-N 3.45Å; Y19-W23 HydrophobicContact CD1-CH2 4.37Å; Y19-W23 HydrophobicContact CD1-CZ2 4.11Å; Y19-W23 HydrophobicContact CG-CH2 4.44Å; Y19-W23 WeakPolarHBondContact O-CB 3.41Å; Y19-W23 VanDerWaalsContact O-CG 3.28Å; Y19-W23 PolarHBondContact O-N 3.01Å; Y19-W73 HydrophobicContact CD2-CH2 4.03Å; Y19-W73 HydrophobicContact CD2-CZ2 4.45Å; Y19-W73 HydrophobicContact CG-CH2 4.01Å; Y19-W73 HydrophobicContact CG-CZ2 4.28Å; Y19-F166 WeakPolarHBondContact OH-CE1 3.36Å; Y19-H167 AromaticContact CE2-CE1 3.73Å; Y19-H167 AromaticContact CZ-CE1 3.99Å; Y19-H167 PolarHBondContact OH-CE1 3.03Å |
| 20 | Y | 97 | Very high | 95.8 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 174.1 | -60.2 | -34.9 | 0 | 0 | 0 | 111.9 | R16 Q17 G24 F55 F57 V60 E61 W73 | R16-Y20 HydrophobicContact CB-CE2 3.91Å; R16-Y20 PolarHBondContact O-N 3.29Å; R16-Y20 VanDerWaalsContact O-N 3.1Å; Q17-Y20 PolarHBondContact O-N 3.43Å; Y20-G24 WeakPolarHBondContact O-CA 3.31Å; Y20-G24 PolarHBondContact O-N 3.5Å; Y20-F55 AromaticContact CD1-CD2 3.46Å; Y20-F55 HydrophobicContact CD1-CD2 3.46Å; Y20-F55 VanDerWaalsContact CD1-CD2 3.46Å; Y20-F55 AromaticContact CD1-CE2 3.76Å; Y20-F55 HydrophobicContact CD1-CE2 3.76Å; Y20-F55 HydrophobicContact CD1-CG 4.11Å; Y20-F55 HydrophobicContact CE1-CD2 4.04Å; Y20-F55 HydrophobicContact CG-CD2 4.17Å; Y20-F55 AromaticContact CG-CE2 3.99Å; Y20-F55 HydrophobicContact CG-CE2 3.99Å; Y20-F55 WeakPolarHBondContact O-CE1 3.26Å; Y20-F55 WeakPolarHBondContact O-CZ 3.42Å; Y20-F57 AromaticContact CD2-CD2 3.69Å; Y20-F57 HydrophobicContact CD2-CD2 3.69Å; Y20-F57 AromaticContact CD2-CE2 3.8Å; Y20-F57 HydrophobicContact CD2-CE2 3.8Å; Y20-F57 AromaticContact CE2-CD2 3.59Å; Y20-F57 HydrophobicContact CE2-CD2 3.59Å; Y20-F57 AromaticContact CE2-CE2 3.59Å; Y20-F57 HydrophobicContact CE2-CE2 3.59Å; Y20-F57 HydrophobicContact CG-CD2 4.29Å; Y20-V60 HydrophobicContact CE1-CG1 4.46Å; Y20-V60 WeakPolarHBondContact OH-CG1 3.35Å; Y20-E61 PolarHBondContact OH-OE1 3.38Å; Y20-W73 HydrophobicContact CD1-CZ3 4.34Å; Y20-W73 AromaticContact CE1-CE3 3.96Å; Y20-W73 HydrophobicContact CE1-CE3 3.96Å; Y20-W73 AromaticContact CE1-CZ3 3.57Å; Y20-W73 HydrophobicContact CE1-CZ3 3.57Å; Y20-W73 AromaticContact CZ-CZ3 3.98Å |
| 21 | F | 96.8 | Very high | 95.5 | Very high | 149 Ų | 149 | 57.4 Ų | 57.4 | 65% | 0.654 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.9 | -52.3 | 175.4 | -179.9 | -100.1 | 0 | 0 | 0 | 111.9 | Q17 Y19 W23 G24 L25 | Q17-F21 WeakPolarHBondContact O-CB 3.28Å; Q17-F21 PolarHBondContact O-N 2.93Å; Y19-F21 VanDerWaalsContact C-N 3.27Å; Y19-F21 PolarHBondContact O-N 3.38Å; F21-W23 PolarHBondContact O-N 2.87Å; F21-G24 PolarHBondContact O-N 2.99Å; F21-L25 WeakPolarHBondContact O-CB 3.46Å; F21-L25 PolarHBondContact O-N 3.23Å |
| 22 | A | 96.4 | Very high | 95.3 | Very high | 52 Ų | 52 | 59.9 Ų | 59.9 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K18 Y19 A26 | K18-A22 WeakPolarHBondContact O-CB 3.35Å; K18-A22 PolarHBondContact O-N 3.03Å; K18-A22 VanDerWaalsContact O-N 3.08Å; Y19-A22 PolarHBondContact O-N 3.45Å; A22-A26 PolarHBondContact O-N 3.07Å; A22-A26 VanDerWaalsContact O-N 3.11Å |
| 23 | W | 95.7 | Very high | 95.1 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.5 | -36.9 | 177.5 | -65.3 | -26.9 | 0 | 0 | 0 | 112.8 | Y19 F21 L25 A26 E27 N54 F55 W73 N74 | Y19-W23 HydrophobicContact CD1-CH2 4.37Å; Y19-W23 HydrophobicContact CD1-CZ2 4.11Å; Y19-W23 HydrophobicContact CG-CH2 4.44Å; Y19-W23 WeakPolarHBondContact O-CB 3.41Å; Y19-W23 VanDerWaalsContact O-CG 3.28Å; Y19-W23 PolarHBondContact O-N 3.01Å; F21-W23 PolarHBondContact O-N 2.87Å; W23-L25 VanDerWaalsContact C-N 3.35Å; W23-A26 PolarHBondContact O-N 3.21Å; W23-E27 WeakPolarHBondContact O-CG 3.39Å; W23-E27 PolarHBondContact O-N 3.11Å; W23-N54 HydrophobicContact CB-CB 3.91Å; W23-N54 HydrophobicContact CG-CB 4.32Å; W23-F55 HydrophobicContact CB-CD1 3.74Å; W23-F55 HydrophobicContact CB-CE1 4.18Å; W23-F55 HydrophobicContact CE3-CB 4.02Å; W23-F55 HydrophobicContact CE3-CG 4.4Å; W23-W73 AromaticContact CH2-CD2 3.73Å; W23-W73 HydrophobicContact CH2-CD2 3.73Å; W23-W73 AromaticContact CH2-CE2 3.34Å; W23-W73 HydrophobicContact CH2-CE3 4.15Å; W23-W73 HydrophobicContact CH2-CG 4.29Å; W23-W73 AromaticContact CH2-CH2 3.85Å; W23-W73 HydrophobicContact CH2-CH2 3.85Å; W23-W73 AromaticContact CH2-CZ2 3.42Å; W23-W73 HydrophobicContact CH2-CZ2 3.42Å; W23-W73 VanDerWaalsContact CH2-CZ2 3.42Å; W23-W73 HydrophobicContact CH2-CZ3 4.2Å; W23-W73 AromaticContact CH2-NE1 3.65Å; W23-W73 HydrophobicContact CZ2-CZ2 4.49Å; W23-W73 AromaticContact CZ3-CD2 3.71Å; W23-W73 HydrophobicContact CZ3-CD2 3.71Å; W23-W73 AromaticContact CZ3-CE2 3.79Å; W23-W73 AromaticContact CZ3-CE3 3.71Å; W23-W73 HydrophobicContact CZ3-CE3 3.71Å; W23-W73 HydrophobicContact CZ3-CG 4.37Å; W23-W73 AromaticContact CZ3-CH2 3.84Å; W23-W73 HydrophobicContact CZ3-CH2 3.84Å; W23-W73 AromaticContact CZ3-CZ2 3.87Å; W23-W73 HydrophobicContact CZ3-CZ2 3.87Å; W23-W73 AromaticContact CZ3-CZ3 3.77Å; W23-W73 HydrophobicContact CZ3-CZ3 3.77Å; W23-N74 HydrophobicContact CH2-CB 3.69Å; W23-N74 HydrophobicContact CZ2-CB 3.68Å; W23-N74 HydrophobicContact CZ3-CB 4.3Å |
| 24 | G | 95.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y20 F21 A26 E27 V28 | Y20-G24 WeakPolarHBondContact O-CA 3.31Å; Y20-G24 PolarHBondContact O-N 3.5Å; F21-G24 PolarHBondContact O-N 2.99Å; G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 2.98Å; G24-E27 WeakPolarHBondContact O-CB 3.46Å; G24-E27 PolarHBondContact O-N 3.19Å; G24-V28 WeakPolarHBondContact O-CG2 3.4Å; G24-V28 PolarHBondContact O-N 3.39Å |
| 25 | L | 95.6 | Very high | 94.5 | Very high | 88 Ų | 88 | 62 Ų | 62 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.3 | -174.4 | 61.5 | 0 | 0 | 0 | 111.6 | F21 W23 V28 N29 | F21-L25 WeakPolarHBondContact O-CB 3.46Å; F21-L25 PolarHBondContact O-N 3.23Å; W23-L25 VanDerWaalsContact C-N 3.35Å; L25-V28 PolarHBondContact O-N 3.49Å; L25-N29 PolarHBondContact O-N 3.3Å |
| 26 | A | 94 | Very high | 94.1 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 37% | 0.372 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A22 W23 G24 G30 | A22-A26 PolarHBondContact O-N 3.07Å; A22-A26 VanDerWaalsContact O-N 3.11Å; W23-A26 PolarHBondContact O-N 3.21Å; G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 2.98Å; A26-G30 PolarHBondContact O-N 2.94Å |
| 27 | E | 93.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 16% | 0.159 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 173.5 | -74.1 | -174.1 | -156.4 | 0 | 0 | 111.7 | W23 G24 N29 G30 V31 I52 N54 F55 | W23-E27 WeakPolarHBondContact O-CG 3.39Å; W23-E27 PolarHBondContact O-N 3.11Å; G24-E27 WeakPolarHBondContact O-CB 3.46Å; G24-E27 PolarHBondContact O-N 3.19Å; E27-N29 VanDerWaalsContact C-N 3.32Å; E27-N29 PolarHBondContact O-N 3.22Å; E27-G30 PolarHBondContact O-N 2.96Å; E27-V31 WeakPolarHBondContact O-CG2 3.37Å; E27-V31 PolarHBondContact O-N 2.95Å; E27-I52 WeakPolarHBondContact CG-O 3.36Å; E27-N54 HydrophobicContact CG-CB 3.95Å; E27-N54 WeakPolarHBondContact CG-ND2 3.44Å; E27-N54 WeakPolarHBondContact OE1-CA 3.46Å; E27-N54 WeakPolarHBondContact OE1-CB 3.36Å; E27-N54 PolarHBondContact OE1-N 3.27Å; E27-F55 WeakPolarHBondContact OE1-CD1 3.46Å; E27-F55 PolarHBondContact OE1-N 3.18Å |
| 28 | V | 93.6 | Very high | 93.5 | Very high | 92 Ų | 92 | 65.1 Ų | 65.1 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.5 | -45.3 | 179.4 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | G24 L25 G30 V31 A32 | G24-V28 WeakPolarHBondContact O-CG2 3.4Å; G24-V28 PolarHBondContact O-N 3.39Å; L25-V28 PolarHBondContact O-N 3.49Å; V28-G30 PolarHBondContact O-N 3.31Å; V28-V31 PolarHBondContact O-N 2.9Å; V28-A32 WeakPolarHBondContact O-CB 3.48Å; V28-A32 PolarHBondContact O-N 3.45Å |
| 29 | N | 94.1 | Very high | 93.3 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 51% | 0.508 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.3 | -71.3 | -10.7 | 0 | 0 | 0 | 111.8 | L25 E27 A32 V33 | L25-N29 PolarHBondContact O-N 3.3Å; E27-N29 VanDerWaalsContact C-N 3.32Å; E27-N29 PolarHBondContact O-N 3.22Å; N29-A32 PolarHBondContact O-N 2.93Å; N29-V33 WeakPolarHBondContact O-CG2 3.41Å; N29-V33 PolarHBondContact O-N 3.48Å; N29-V33 VanDerWaalsContact O-N 3.14Å |
| 30 | G | 92 | Very high | 93 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.1 | -31.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | A26 E27 V28 G34 A35 G36 | A26-G30 PolarHBondContact O-N 2.94Å; E27-G30 PolarHBondContact O-N 2.96Å; V28-G30 PolarHBondContact O-N 3.31Å; G30-G34 PolarHBondContact O-N 3.28Å; G30-A35 WeakPolarHBondContact O-CB 3.32Å; G30-A35 PolarHBondContact O-N 3.48Å; G30-G36 PolarHBondContact O-N 2.9Å |
| 31 | V | 92.2 | Very high | 92.6 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 170 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | E27 V28 V33 G34 N49 I52 | E27-V31 WeakPolarHBondContact O-CG2 3.37Å; E27-V31 PolarHBondContact O-N 2.95Å; V28-V31 PolarHBondContact O-N 2.9Å; V31-V33 VanDerWaalsContact C-N 3.28Å; V31-V33 PolarHBondContact O-N 3.41Å; V31-G34 PolarHBondContact O-N 2.97Å; V31-N49 HydrophobicContact CG2-CB 4.05Å; V31-I52 HydrophobicContact CG2-CG2 3.79Å |
| 32 | A | 92.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 64 Ų | 64 | 70% | 0.702 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.6 | -34.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V28 N29 G34 | V28-A32 WeakPolarHBondContact O-CB 3.48Å; V28-A32 PolarHBondContact O-N 3.45Å; N29-A32 PolarHBondContact O-N 2.93Å; A32-G34 VanDerWaalsContact C-N 3.29Å |
| 33 | V | 92.9 | Very high | 92.1 | Very high | 128 Ų | 128 | 73 Ų | 73 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -5.3 | 176 | -179 | 0 | 0 | 0 | 0 | 112.3 | N29 V31 A35 | N29-V33 WeakPolarHBondContact O-CG2 3.41Å; N29-V33 PolarHBondContact O-N 3.48Å; N29-V33 VanDerWaalsContact O-N 3.14Å; V31-V33 VanDerWaalsContact C-N 3.28Å; V31-V33 PolarHBondContact O-N 3.41Å; V33-A35 VanDerWaalsContact C-N 3.31Å; V33-A35 PolarHBondContact O-N 3.32Å |
| 34 | G | 90.1 | Very high | 92 | Very high | 46 Ų | 46 | 76.3 Ų | 76.3 | 47% | 0.474 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 3.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G30 V31 A32 G36 Y37 | G30-G34 PolarHBondContact O-N 3.28Å; V31-G34 PolarHBondContact O-N 2.97Å; A32-G34 VanDerWaalsContact C-N 3.29Å; G34-G36 PolarHBondContact O-N 3.15Å; G34-Y37 PolarHBondContact O-N 2.98Å |
| 35 | A | 89.6 | Confident | 91.7 | Very high | 64 Ų | 64 | 77.5 Ų | 77.5 | 53% | 0.529 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | G30 V33 | G30-A35 WeakPolarHBondContact O-CB 3.32Å; G30-A35 PolarHBondContact O-N 3.48Å; V33-A35 VanDerWaalsContact C-N 3.31Å; V33-A35 PolarHBondContact O-N 3.32Å |
| 36 | G | 88.3 | Confident | 91.4 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -25.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G30 G34 T38 N49 | G30-G36 PolarHBondContact O-N 2.9Å; G34-G36 PolarHBondContact O-N 3.15Å; G36-T38 PolarHBondContact O-N 3.49Å; G36-N49 CarbonylContact O-C 3.57Å; G36-N49 WeakPolarHBondContact O-CA 3.5Å |
| 37 | Y | 90.3 | Very high | 91.1 | Very high | 130 Ų | 130 | 77.7 Ų | 77.7 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | trans | -63.6 | 126.3 | -165.7 | -178.1 | -102.4 | 0 | 0 | 0 | 112.3 | G34 G39 T47 N49 | G34-Y37 PolarHBondContact O-N 2.98Å; Y37-G39 WeakPolarHBondContact CE2-O 3.48Å; Y37-T47 HydrophobicContact CE2-CG2 4.45Å; Y37-N49 WeakPolarHBondContact CA-OD1 3.2Å; Y37-N49 PolarHBondContact N-OD1 3.25Å | ||
| 38 | T | 90.5 | Very high | 90.9 | Very high | 55 Ų | 55 | 78.3 Ų | 78.3 | 34% | 0.337 | 47% | 0.472 | S | S | . | . | trans | -121.9 | -6.1 | 179.4 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | G36 L48 H50 N51 | G36-T38 PolarHBondContact O-N 3.49Å; T38-L48 PolarHBondContact N-O 3.14Å; T38-L48 WeakPolarHBondContact OG1-CB 3.46Å; T38-L48 PolarHBondContact OG1-O 3.47Å; T38-H50 HydrophobicContact CG2-CB 4.1Å; T38-H50 PolarHBondContact OG1-N 2.88Å; T38-H50 VanDerWaalsContact OG1-N 3.14Å; T38-N51 HydrophobicContact CG2-CB 3.77Å; T38-N51 VanDerWaalsContact CG2-ND2 3.31Å; T38-N51 WeakPolarHBondContact CG2-ND2 3.12Å; T38-N51 WeakPolarHBondContact CG2-OD1 3.18Å | ||
| 39 | G | 91.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 76 Ų | 76 | 19% | 0.186 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.7 | -163.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y37 L48 | Y37-G39 WeakPolarHBondContact CE2-O 3.48Å; G39-L48 WeakPolarHBondContact O-CB 3.49Å; G39-L48 PolarHBondContact O-N 2.72Å |
| 40 | Q | 91.4 | Very high | 90.3 | Very high | 119 Ų | 119 | 76.6 Ų | 76.6 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.4 | 177.5 | -70.2 | 177.5 | -16.5 | 0 | 0 | 110.4 | P42 A46 | Q40-P42 WeakPolarHBondContact O-CD 3.38Å; Q40-A46 CarbonylContact C-O 3.55Å; Q40-A46 WeakPolarHBondContact CA-O 3.15Å |
| 41 | C | 88.8 | Confident | 90 | Very high | 34 Ų | 34 | 80.5 Ų | 80.5 | 23% | 0.23 | 47% | 0.474 | C | S | . | . | trans | -65.9 | 122.7 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | R43 T44 G45 A46 L48 | C41-R43 PolarHBondContact O-N 2.93Å; C41-T44 VanDerWaalsContact CB-OG1 3.26Å; C41-T44 WeakPolarHBondContact CB-OG1 3.39Å; C41-T44 PolarHBondContact O-N 3.33Å; C41-G45 WeakPolarHBondContact O-CA 3.45Å; C41-G45 PolarHBondContact O-N 3.33Å; C41-A46 PolarHBondContact N-O 3.46Å; C41-L48 HydrophobicContact CB-CD1 4.4Å; C41-L48 HydrophobicContact CB-CD2 4.16Å; C41-L48 HydrophobicContact CB-CG 4.36Å | ||
| 42 | P | 90.3 | Very high | 89.9 | Confident | 132 Ų | 132 | 79.3 Ų | 79.3 | 86% | 0.857 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.2 | -178.2 | -25.4 | 34.4 | 0 | 0 | 0 | 114.2 | Q40 | Q40-P42 WeakPolarHBondContact O-CD 3.38Š|
| 43 | R | 92.4 | Very high | 89.8 | Confident | 241 Ų | 241 | 80.7 Ų | 80.7 | 91% | 0.909 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -35.4 | -177.9 | -67.7 | -172.5 | -178.7 | -172.1 | -0.1 | 114 | C41 | C41-R43 PolarHBondContact O-N 2.93Š|
| 44 | T | 92.2 | Very high | 89.8 | Confident | 106 Ų | 106 | 75.4 Ų | 75.4 | 65% | 0.65 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -11.1 | -172 | 64 | 0 | 0 | 0 | 0 | 113.6 | C41 A46 | C41-T44 VanDerWaalsContact CB-OG1 3.26Å; C41-T44 WeakPolarHBondContact CB-OG1 3.39Å; C41-T44 PolarHBondContact O-N 3.33Å; T44-A46 PolarHBondContact O-N 2.94Å; T44-A46 VanDerWaalsContact O-N 3.11Å; T44-A46 WeakPolarHBondContact OG1-CB 3.4Å; T44-A46 PolarHBondContact OG1-N 3.14Å |
| 45 | G | 89.3 | Confident | 90.1 | Very high | 44 Ų | 44 | 75 Ų | 75 | 45% | 0.454 | 41% | 0.405 | S | S | . | . | trans | 69.3 | -1.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C41 | C41-G45 WeakPolarHBondContact O-CA 3.45Å; C41-G45 PolarHBondContact O-N 3.33Å | ||
| 46 | A | 89.7 | Confident | 90.4 | Very high | 50 Ų | 50 | 73.4 Ų | 73.4 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 141 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q40 C41 T44 L48 | Q40-A46 CarbonylContact C-O 3.55Å; Q40-A46 WeakPolarHBondContact CA-O 3.15Å; C41-A46 PolarHBondContact N-O 3.46Å; T44-A46 PolarHBondContact O-N 2.94Å; T44-A46 VanDerWaalsContact O-N 3.11Å; T44-A46 WeakPolarHBondContact OG1-CB 3.4Å; T44-A46 PolarHBondContact OG1-N 3.14Å; A46-L48 PolarHBondContact O-N 3.03Å |
| 47 | T | 88.6 | Confident | 90.7 | Very high | 88 Ų | 88 | 77.2 Ų | 77.2 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 130.1 | 175.4 | 50 | 0 | 0 | 0 | 0 | 110.5 | Y37 | Y37-T47 HydrophobicContact CE2-CG2 4.45Å |
| 48 | L | 88.9 | Confident | 90.9 | Very high | 46 Ų | 46 | 76.6 Ų | 76.6 | 24% | 0.241 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.6 | 179.2 | -62.6 | 179 | 0 | 0 | 0 | 109.2 | T38 G39 C41 A46 | T38-L48 PolarHBondContact N-O 3.14Å; T38-L48 WeakPolarHBondContact OG1-CB 3.46Å; T38-L48 PolarHBondContact OG1-O 3.47Å; G39-L48 WeakPolarHBondContact O-CB 3.49Å; G39-L48 PolarHBondContact O-N 2.72Å; C41-L48 HydrophobicContact CB-CD1 4.4Å; C41-L48 HydrophobicContact CB-CD2 4.16Å; C41-L48 HydrophobicContact CB-CG 4.36Å; A46-L48 PolarHBondContact O-N 3.03Å |
| 49 | N | 88.2 | Confident | 91.2 | Very high | 43 Ų | 43 | 79.5 Ų | 79.5 | 23% | 0.23 | 42% | 0.417 | C | S | . | . | trans | -113.7 | 48.6 | 178.9 | -66.4 | -48.4 | 0 | 0 | 0 | 112.3 | V31 G36 Y37 N51 I52 | V31-N49 HydrophobicContact CG2-CB 4.05Å; G36-N49 CarbonylContact O-C 3.57Å; G36-N49 WeakPolarHBondContact O-CA 3.5Å; Y37-N49 WeakPolarHBondContact CA-OD1 3.2Å; Y37-N49 PolarHBondContact N-OD1 3.25Å; N49-N51 VanDerWaalsContact C-N 3.31Å; N49-N51 PolarHBondContact O-N 3.07Å; N49-I52 HydrophobicContact CB-CG2 4.31Å | ||
| 50 | H | 86.5 | Confident | 91.4 | Very high | 108 Ų | 108 | 79 Ų | 79 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26 | -170.3 | -67 | -55.3 | 0 | 0 | 0 | 114.1 | T38 I52 | T38-H50 HydrophobicContact CG2-CB 4.1Å; T38-H50 PolarHBondContact OG1-N 2.88Å; T38-H50 VanDerWaalsContact OG1-N 3.14Å; H50-I52 VanDerWaalsContact C-N 3.34Å; H50-I52 PolarHBondContact O-N 3.03Å |
| 51 | N | 85.4 | Confident | 91.6 | Very high | 93 Ų | 93 | 74.7 Ų | 74.7 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -24.6 | -174.4 | -80.2 | -12.3 | 0 | 0 | 0 | 114.1 | T38 N49 | T38-N51 HydrophobicContact CG2-CB 3.77Å; T38-N51 VanDerWaalsContact CG2-ND2 3.31Å; T38-N51 WeakPolarHBondContact CG2-ND2 3.12Å; T38-N51 WeakPolarHBondContact CG2-OD1 3.18Å; N49-N51 VanDerWaalsContact C-N 3.31Å; N49-N51 PolarHBondContact O-N 3.07Å |
| 52 | I | 89.8 | Confident | 91.9 | Very high | 36 Ų | 36 | 76.4 Ų | 76.4 | 19% | 0.185 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -4.7 | -174.8 | -160.8 | 62.5 | 0 | 0 | 0 | 113.5 | E27 V31 N49 H50 N54 | E27-I52 WeakPolarHBondContact CG-O 3.36Å; V31-I52 HydrophobicContact CG2-CG2 3.79Å; N49-I52 HydrophobicContact CB-CG2 4.31Å; H50-I52 VanDerWaalsContact C-N 3.34Å; H50-I52 PolarHBondContact O-N 3.03Å; I52-N54 PolarHBondContact O-N 3.35Å; I52-N54 PolarHBondContact O-ND2 2.89Å |
| 53 | R | 91.5 | Very high | 92.1 | Very high | 114 Ų | 114 | 70.3 Ų | 70.3 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | trans | -59.9 | 123.8 | -179.4 | -79 | -167.7 | 153.4 | -159 | -7.2 | 111 | I75 | R53-I75 HydrophobicContact CB-CD1 4.25Å; R53-I75 VanDerWaalsContact O-CB 3.3Å; R53-I75 WeakPolarHBondContact O-CB 3.42Å; R53-I75 WeakPolarHBondContact O-CG2 3.28Å | ||
| 54 | N | 93.3 | Very high | 92.2 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | trans | -105.4 | -28.6 | 179.1 | -70.4 | -48.6 | 0 | 0 | 0 | 112.2 | W23 E27 I52 N74 I75 S76 | W23-N54 HydrophobicContact CB-CB 3.91Å; W23-N54 HydrophobicContact CG-CB 4.32Å; E27-N54 HydrophobicContact CG-CB 3.95Å; E27-N54 WeakPolarHBondContact CG-ND2 3.44Å; E27-N54 WeakPolarHBondContact OE1-CA 3.46Å; E27-N54 WeakPolarHBondContact OE1-CB 3.36Å; E27-N54 PolarHBondContact OE1-N 3.27Å; I52-N54 PolarHBondContact O-N 3.35Å; I52-N54 PolarHBondContact O-ND2 2.89Å; N54-N74 CarbonylContact O-C 3.34Å; N54-N74 WeakPolarHBondContact O-CA 3.27Å; N54-N74 PolarHBondContact O-N 2.96Å; N54-N74 VanDerWaalsContact O-N 3.13Å; N54-I75 WeakPolarHBondContact O-CG1 3.36Å; N54-I75 PolarHBondContact O-N 3.29Å; N54-S76 VanDerWaalsContact OD1-CB 3.26Å; N54-S76 WeakPolarHBondContact OD1-CB 3.46Å; N54-S76 PolarHBondContact OD1-OG 3.02Å | ||
| 55 | F | 95.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | trans | -149.8 | 160.7 | 175.1 | 74.1 | -72.7 | 0 | 0 | 0 | 114 | Y20 W23 E27 F57 A72 | Y20-F55 AromaticContact CD1-CD2 3.46Å; Y20-F55 HydrophobicContact CD1-CD2 3.46Å; Y20-F55 VanDerWaalsContact CD1-CD2 3.46Å; Y20-F55 AromaticContact CD1-CE2 3.76Å; Y20-F55 HydrophobicContact CD1-CE2 3.76Å; Y20-F55 HydrophobicContact CD1-CG 4.11Å; Y20-F55 HydrophobicContact CE1-CD2 4.04Å; Y20-F55 HydrophobicContact CG-CD2 4.17Å; Y20-F55 AromaticContact CG-CE2 3.99Å; Y20-F55 HydrophobicContact CG-CE2 3.99Å; Y20-F55 WeakPolarHBondContact O-CE1 3.26Å; Y20-F55 WeakPolarHBondContact O-CZ 3.42Å; W23-F55 HydrophobicContact CB-CD1 3.74Å; W23-F55 HydrophobicContact CB-CE1 4.18Å; W23-F55 HydrophobicContact CE3-CB 4.02Å; W23-F55 HydrophobicContact CE3-CG 4.4Å; E27-F55 WeakPolarHBondContact OE1-CD1 3.46Å; E27-F55 PolarHBondContact OE1-N 3.18Å; F55-F57 HydrophobicContact CD2-CB 4.36Å; F55-F57 HydrophobicContact CE2-CB 4.11Å; F55-A72 VanDerWaalsContact CA-O 3.29Å; F55-A72 WeakPolarHBondContact CA-O 3.43Å | ||
| 56 | D | 95.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | trans | -128.5 | 99.7 | 169.6 | -175 | -35.8 | 0 | 0 | 0 | 109 | L58 K59 V60 A72 | D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 2.98Å; D56-L58 PolarHBondContact OD1-N 2.88Å; D56-K59 HydrophobicContact CB-CB 4.05Å; D56-K59 HydrophobicContact CB-CD 4.19Å; D56-K59 HydrophobicContact CB-CG 4.3Å; D56-K59 PolarHBondContact O-N 2.89Å; D56-K59 PolarHBondContact OD1-N 3.25Å; D56-K59 VanDerWaalsContact OD1-N 3.14Å; D56-K59 WeakPolarHBondContact OD2-CD 3.29Å; D56-K59 WeakPolarHBondContact OD2-CE 3.33Å; D56-K59 IonicContact OD2-NZ 2.73Å; D56-K59 PolarHBondContact OD2-NZ 3.01Å; D56-V60 WeakPolarHBondContact O-CG2 3.45Å; D56-V60 PolarHBondContact O-N 3.48Å; D56-A72 HydrophobicContact CB-CB 4.15Å; D56-A72 PolarHBondContact N-O 2.86Å | ||
| 57 | F | 95.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -52.4 | -49.5 | -172.7 | -179.7 | -92.7 | 0 | 0 | 0 | 112.8 | F13 Y20 F55 V60 E61 | F13-F57 HydrophobicContact CE2-CE2 4.48Å; F13-F57 HydrophobicContact CE2-CZ 4.19Å; F13-F57 HydrophobicContact CZ-CZ 4.29Å; Y20-F57 AromaticContact CD2-CD2 3.69Å; Y20-F57 HydrophobicContact CD2-CD2 3.69Å; Y20-F57 AromaticContact CD2-CE2 3.8Å; Y20-F57 HydrophobicContact CD2-CE2 3.8Å; Y20-F57 AromaticContact CE2-CD2 3.59Å; Y20-F57 HydrophobicContact CE2-CD2 3.59Å; Y20-F57 AromaticContact CE2-CE2 3.59Å; Y20-F57 HydrophobicContact CE2-CE2 3.59Å; Y20-F57 HydrophobicContact CG-CD2 4.29Å; F55-F57 HydrophobicContact CD2-CB 4.36Å; F55-F57 HydrophobicContact CE2-CB 4.11Å; F57-V60 PolarHBondContact O-N 2.91Å; F57-E61 HydrophobicContact CE1-CG 4.39Å; F57-E61 HydrophobicContact CE2-CG 4.38Å; F57-E61 HydrophobicContact CZ-CG 4.2Å; F57-E61 PolarHBondContact O-N 3.02Å |
| 58 | L | 95.6 | Very high | 93 | Very high | 117 Ų | 117 | 56 Ų | 56 | 61% | 0.613 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65 | -46.2 | -178 | -69.9 | 174.7 | 0 | 0 | 0 | 110.4 | D56 V60 E61 T62 | D56-L58 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 2.98Å; D56-L58 PolarHBondContact OD1-N 2.88Å; L58-V60 VanDerWaalsContact C-N 3.28Å; L58-V60 PolarHBondContact O-N 3.27Å; L58-E61 PolarHBondContact O-N 3.48Å; L58-T62 WeakPolarHBondContact O-CB 3.5Å; L58-T62 PolarHBondContact O-N 3.28Å; L58-T62 PolarHBondContact O-OG1 3.44Å |
| 59 | K | 95.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 54.2 Ų | 54.2 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.5 | -30.8 | 179.8 | -70.2 | -175.7 | -171.8 | 131.5 | 0 | 113.7 | D56 G63 A72 | D56-K59 HydrophobicContact CB-CB 4.05Å; D56-K59 HydrophobicContact CB-CD 4.19Å; D56-K59 HydrophobicContact CB-CG 4.3Å; D56-K59 PolarHBondContact O-N 2.89Å; D56-K59 PolarHBondContact OD1-N 3.25Å; D56-K59 VanDerWaalsContact OD1-N 3.14Å; D56-K59 WeakPolarHBondContact OD2-CD 3.29Å; D56-K59 WeakPolarHBondContact OD2-CE 3.33Å; D56-K59 IonicContact OD2-NZ 2.73Å; D56-K59 PolarHBondContact OD2-NZ 3.01Å; K59-G63 VanDerWaalsContact O-CA 3.24Å; K59-G63 WeakPolarHBondContact O-CA 3.33Å; K59-G63 PolarHBondContact O-N 2.84Å; K59-G63 VanDerWaalsContact O-N 3.16Å; K59-A72 HydrophobicContact CB-CB 3.55Å; K59-A72 HydrophobicContact CD-CB 4.49Å |
| 60 | V | 96.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.1 | -50.7 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | Y20 D56 F57 L58 V69 A72 W73 | Y20-V60 HydrophobicContact CE1-CG1 4.46Å; Y20-V60 WeakPolarHBondContact OH-CG1 3.35Å; D56-V60 WeakPolarHBondContact O-CG2 3.45Å; D56-V60 PolarHBondContact O-N 3.48Å; F57-V60 PolarHBondContact O-N 2.91Å; L58-V60 VanDerWaalsContact C-N 3.28Å; L58-V60 PolarHBondContact O-N 3.27Å; V60-V69 HydrophobicContact CG1-CG1 4.14Å; V60-A72 HydrophobicContact CG2-CB 3.71Å; V60-A72 WeakPolarHBondContact CG2-O 3.29Å; V60-W73 HydrophobicContact CG1-CE3 3.94Å; V60-W73 HydrophobicContact CG2-CB 4.12Å; V60-W73 HydrophobicContact CG2-CE3 4.38Å |
| 61 | E | 95.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76.6 | -32.2 | -175 | -63.1 | -58.1 | 150.2 | 0 | 0 | 113.1 | F13 R16 Y20 F57 L58 N156 | F13-E61 HydrophobicContact CE2-CG 4.23Å; R16-E61 IonicContact CZ-OE1 3.85Å; R16-E61 IonicContact CZ-OE2 3.29Å; R16-E61 IonicContact NE-OE1 3.93Å; R16-E61 PolarHBondContact NE-OE1 3Å; R16-E61 IonicContact NE-OE2 2.66Å; R16-E61 IonicContact NH2-OE1 2.93Å; R16-E61 PolarHBondContact NH2-OE1 3.18Å; R16-E61 IonicContact NH2-OE2 2.86Å; R16-E61 PolarHBondContact NH2-OE2 2.99Å; Y20-E61 PolarHBondContact OH-OE1 3.38Å; F57-E61 HydrophobicContact CE1-CG 4.39Å; F57-E61 HydrophobicContact CE2-CG 4.38Å; F57-E61 HydrophobicContact CZ-CG 4.2Å; F57-E61 PolarHBondContact O-N 3.02Å; L58-E61 PolarHBondContact O-N 3.48Å; E61-N156 PolarHBondContact O-ND2 3Å; E61-N156 VanDerWaalsContact O-ND2 3.15Å; E61-N156 PolarHBondContact OE2-ND2 3.28Å |
| 62 | T | 95.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 44% | 0.436 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 23.7 | -179.7 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | L58 I64 M152 | L58-T62 WeakPolarHBondContact O-CB 3.5Å; L58-T62 PolarHBondContact O-N 3.28Å; L58-T62 PolarHBondContact O-OG1 3.44Å; T62-I64 PolarHBondContact O-N 3.16Å; T62-M152 HydrophobicContact CG2-SD 4.23Å |
| 63 | G | 94.1 | Very high | 95 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | trans | -66 | 122.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K59 S65 T155 | K59-G63 VanDerWaalsContact O-CA 3.24Å; K59-G63 WeakPolarHBondContact O-CA 3.33Å; K59-G63 PolarHBondContact O-N 2.84Å; K59-G63 VanDerWaalsContact O-N 3.16Å; G63-S65 VanDerWaalsContact C-N 3.28Å; G63-S65 PolarHBondContact O-N 3.37Å; G63-T155 VanDerWaalsContact O-CB 3.28Å; G63-T155 WeakPolarHBondContact O-CB 3.33Å; G63-T155 WeakPolarHBondContact O-CG2 3.36Å | ||
| 64 | I | 94.2 | Very high | 95.1 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -73.7 | -19.6 | 179.8 | -59.9 | 173.4 | 0 | 0 | 0 | 112.3 | T62 T151 T155 | T62-I64 PolarHBondContact O-N 3.16Å; I64-T151 VanDerWaalsContact CG2-OG1 3.25Å; I64-T151 WeakPolarHBondContact CG2-OG1 3.33Å; I64-T151 WeakPolarHBondContact O-CB 3.48Å; I64-T155 PolarHBondContact O-OG1 2.93Å |
| 65 | S | 94.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -144.9 | 157.3 | 176.9 | 71.6 | 0 | 0 | 0 | 0 | 110.5 | G63 K67 H68 V69 | G63-S65 VanDerWaalsContact C-N 3.28Å; G63-S65 PolarHBondContact O-N 3.37Å; S65-K67 PolarHBondContact O-N 3.18Å; S65-H68 WeakPolarHBondContact O-CB 3.4Å; S65-H68 PolarHBondContact O-N 3.48Å; S65-H68 PolarHBondContact OG-CD2 2.94Å; S65-H68 PolarHBondContact OG-N 3.38Å; S65-V69 PolarHBondContact O-N 2.89Å; S65-V69 VanDerWaalsContact O-N 3.16Å |
| 66 | L | 95.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -30.3 | 179.4 | -166.4 | 58.2 | 0 | 0 | 0 | 111.9 | V69 I70 F119 F122 T123 S126 V159 | L66-V69 PolarHBondContact O-N 3.19Å; L66-I70 HydrophobicContact CG-CD1 3.94Å; L66-I70 HydrophobicContact CG-CG1 4.46Å; L66-I70 WeakPolarHBondContact O-CB 3.49Å; L66-I70 WeakPolarHBondContact O-CD1 3.46Å; L66-I70 VanDerWaalsContact O-CG1 3.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 2.99Å; L66-F119 HydrophobicContact CD1-CD1 4.02Å; L66-F119 HydrophobicContact CD1-CE1 3.79Å; L66-F119 HydrophobicContact CD2-CD1 3.96Å; L66-F119 HydrophobicContact CD2-CE1 4.49Å; L66-F119 HydrophobicContact CG-CD1 4.32Å; L66-F122 HydrophobicContact CD2-CB 3.52Å; L66-T123 WeakPolarHBondContact CD2-OG1 3.3Å; L66-S126 PolarHBondContact N-OG 2.7Å; L66-V159 HydrophobicContact CD1-CG2 3.42Å; L66-V159 VanDerWaalsContact CD1-CG2 3.42Å |
| 67 | K | 94.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 37% | 0.365 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -45 | 171.7 | 174 | 169.4 | 170.2 | 49.4 | 0 | 111.8 | S65 V69 I70 D71 | S65-K67 PolarHBondContact O-N 3.18Å; K67-V69 VanDerWaalsContact C-N 3.29Å; K67-V69 PolarHBondContact O-N 2.84Å; K67-I70 PolarHBondContact O-N 3.45Å; K67-D71 WeakPolarHBondContact CE-OD2 3.41Å; K67-D71 VanDerWaalsContact CG-OD2 3.31Å; K67-D71 WeakPolarHBondContact CG-OD2 3.45Å; K67-D71 IonicContact NZ-OD1 3.59Å; K67-D71 PolarHBondContact NZ-OD1 3.44Å; K67-D71 IonicContact NZ-OD2 3.43Å; K67-D71 PolarHBondContact NZ-OD2 2.86Å; K67-D71 WeakPolarHBondContact O-CB 3.34Å; K67-D71 VanDerWaalsContact O-CG 3.29Å; K67-D71 PolarHBondContact O-N 3.41Å |
| 68 | H | 94.3 | Very high | 95.1 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 38% | 0.384 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.8 | -67.4 | -178.3 | 0 | 0 | 0 | 111.6 | S65 A72 | S65-H68 WeakPolarHBondContact O-CB 3.4Å; S65-H68 PolarHBondContact O-N 3.48Å; S65-H68 PolarHBondContact OG-CD2 2.94Å; S65-H68 PolarHBondContact OG-N 3.38Å; H68-A72 WeakPolarHBondContact O-CB 3.45Å; H68-A72 PolarHBondContact O-N 3.4Å |
| 69 | V | 97 | Very high | 95.1 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -48.7 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | V60 S65 L66 K67 D71 A72 W73 T155 V159 | V60-V69 HydrophobicContact CG1-CG1 4.14Å; S65-V69 PolarHBondContact O-N 2.89Å; S65-V69 VanDerWaalsContact O-N 3.16Å; L66-V69 PolarHBondContact O-N 3.19Å; K67-V69 VanDerWaalsContact C-N 3.29Å; K67-V69 PolarHBondContact O-N 2.84Å; V69-D71 PolarHBondContact O-N 3.5Å; V69-A72 CarbonylContact O-C 3.58Å; V69-A72 PolarHBondContact O-N 3.44Å; V69-A72 VanDerWaalsContact O-N 3.12Å; V69-W73 VanDerWaalsContact O-CB 3.23Å; V69-W73 WeakPolarHBondContact O-CB 3.37Å; V69-W73 PolarHBondContact O-N 3.3Å; V69-T155 HydrophobicContact CG2-CG2 3.65Å; V69-V159 HydrophobicContact CB-CG2 4.46Å; V69-V159 HydrophobicContact CG1-CG2 4.01Å; V69-V159 HydrophobicContact CG2-CG2 4.39Å |
| 70 | I | 95.5 | Very high | 95.1 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 21% | 0.205 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 179.5 | -68.5 | 162.6 | 0 | 0 | 0 | 111.7 | L66 K67 A72 W73 F99 T123 | L66-I70 HydrophobicContact CG-CD1 3.94Å; L66-I70 HydrophobicContact CG-CG1 4.46Å; L66-I70 WeakPolarHBondContact O-CB 3.49Å; L66-I70 WeakPolarHBondContact O-CD1 3.46Å; L66-I70 VanDerWaalsContact O-CG1 3.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.37Å; L66-I70 PolarHBondContact O-N 2.99Å; K67-I70 PolarHBondContact O-N 3.45Å; I70-A72 PolarHBondContact O-N 3.41Å; I70-W73 PolarHBondContact O-N 3.35Å; I70-W73 VanDerWaalsContact O-O 3.07Å; I70-F99 HydrophobicContact CD1-CZ 3.85Å; I70-T123 HydrophobicContact CD1-CG2 4.07Å; I70-T123 WeakPolarHBondContact CD1-OG1 3.43Å |
| 71 | D | 94.8 | Very high | 95.1 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.2 | -16.6 | 178.8 | -69.3 | -36.3 | 0 | 0 | 0 | 112.5 | K67 V69 R82 | K67-D71 WeakPolarHBondContact CE-OD2 3.41Å; K67-D71 VanDerWaalsContact CG-OD2 3.31Å; K67-D71 WeakPolarHBondContact CG-OD2 3.45Å; K67-D71 IonicContact NZ-OD1 3.59Å; K67-D71 PolarHBondContact NZ-OD1 3.44Å; K67-D71 IonicContact NZ-OD2 3.43Å; K67-D71 PolarHBondContact NZ-OD2 2.86Å; K67-D71 WeakPolarHBondContact O-CB 3.34Å; K67-D71 VanDerWaalsContact O-CG 3.29Å; K67-D71 PolarHBondContact O-N 3.41Å; V69-D71 PolarHBondContact O-N 3.5Å; D71-R82 IonicContact OD1-NH2 3.34Å; D71-R82 PolarHBondContact OD1-NH2 3.3Å |
| 72 | A | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -103.1 | -12.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | F55 D56 K59 V60 H68 V69 I70 | F55-A72 VanDerWaalsContact CA-O 3.29Å; F55-A72 WeakPolarHBondContact CA-O 3.43Å; D56-A72 HydrophobicContact CB-CB 4.15Å; D56-A72 PolarHBondContact N-O 2.86Å; K59-A72 HydrophobicContact CB-CB 3.55Å; K59-A72 HydrophobicContact CD-CB 4.49Å; V60-A72 HydrophobicContact CG2-CB 3.71Å; V60-A72 WeakPolarHBondContact CG2-O 3.29Å; H68-A72 WeakPolarHBondContact O-CB 3.45Å; H68-A72 PolarHBondContact O-N 3.4Å; V69-A72 CarbonylContact O-C 3.58Å; V69-A72 PolarHBondContact O-N 3.44Å; V69-A72 VanDerWaalsContact O-N 3.12Å; I70-A72 PolarHBondContact O-N 3.41Å |
| 73 | W | 96 | Very high | 95.2 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 27% | 0.269 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -102.3 | 119 | -179.1 | 176.2 | -90.7 | 0 | 0 | 0 | 109.8 | R16 Y19 Y20 W23 V60 V69 I70 T78 | R16-W73 HydrophobicContact CB-CH2 4.31Å; R16-W73 HydrophobicContact CB-CZ3 4.27Å; R16-W73 HydrophobicContact CG-CH2 3.78Å; R16-W73 HydrophobicContact CG-CZ3 3.89Å; Y19-W73 HydrophobicContact CD2-CH2 4.03Å; Y19-W73 HydrophobicContact CD2-CZ2 4.45Å; Y19-W73 HydrophobicContact CG-CH2 4.01Å; Y19-W73 HydrophobicContact CG-CZ2 4.28Å; Y20-W73 HydrophobicContact CD1-CZ3 4.34Å; Y20-W73 AromaticContact CE1-CE3 3.96Å; Y20-W73 HydrophobicContact CE1-CE3 3.96Å; Y20-W73 AromaticContact CE1-CZ3 3.57Å; Y20-W73 HydrophobicContact CE1-CZ3 3.57Å; Y20-W73 AromaticContact CZ-CZ3 3.98Å; W23-W73 AromaticContact CH2-CD2 3.73Å; W23-W73 HydrophobicContact CH2-CD2 3.73Å; W23-W73 AromaticContact CH2-CE2 3.34Å; W23-W73 HydrophobicContact CH2-CE3 4.15Å; W23-W73 HydrophobicContact CH2-CG 4.29Å; W23-W73 AromaticContact CH2-CH2 3.85Å; W23-W73 HydrophobicContact CH2-CH2 3.85Å; W23-W73 AromaticContact CH2-CZ2 3.42Å; W23-W73 HydrophobicContact CH2-CZ2 3.42Å; W23-W73 VanDerWaalsContact CH2-CZ2 3.42Å; W23-W73 HydrophobicContact CH2-CZ3 4.2Å; W23-W73 AromaticContact CH2-NE1 3.65Å; W23-W73 HydrophobicContact CZ2-CZ2 4.49Å; W23-W73 AromaticContact CZ3-CD2 3.71Å; W23-W73 HydrophobicContact CZ3-CD2 3.71Å; W23-W73 AromaticContact CZ3-CE2 3.79Å; W23-W73 AromaticContact CZ3-CE3 3.71Å; W23-W73 HydrophobicContact CZ3-CE3 3.71Å; W23-W73 HydrophobicContact CZ3-CG 4.37Å; W23-W73 AromaticContact CZ3-CH2 3.84Å; W23-W73 HydrophobicContact CZ3-CH2 3.84Å; W23-W73 AromaticContact CZ3-CZ2 3.87Å; W23-W73 HydrophobicContact CZ3-CZ2 3.87Å; W23-W73 AromaticContact CZ3-CZ3 3.77Å; W23-W73 HydrophobicContact CZ3-CZ3 3.77Å; V60-W73 HydrophobicContact CG1-CE3 3.94Å; V60-W73 HydrophobicContact CG2-CB 4.12Å; V60-W73 HydrophobicContact CG2-CE3 4.38Å; V69-W73 VanDerWaalsContact O-CB 3.23Å; V69-W73 WeakPolarHBondContact O-CB 3.37Å; V69-W73 PolarHBondContact O-N 3.3Å; I70-W73 PolarHBondContact O-N 3.35Å; I70-W73 VanDerWaalsContact O-O 3.07Å; W73-T78 PolarHBondContact O-OG1 2.89Å |
| 74 | N | 94.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 53.5 | 55.3 | 179.8 | -162.8 | -2.8 | 0 | 0 | 0 | 112.7 | W23 N54 S76 T77 T78 | W23-N74 HydrophobicContact CH2-CB 3.69Å; W23-N74 HydrophobicContact CZ2-CB 3.68Å; W23-N74 HydrophobicContact CZ3-CB 4.3Å; N54-N74 CarbonylContact O-C 3.34Å; N54-N74 WeakPolarHBondContact O-CA 3.27Å; N54-N74 PolarHBondContact O-N 2.96Å; N54-N74 VanDerWaalsContact O-N 3.13Å; N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 2.89Å; N74-T77 VanDerWaalsContact ND2-CB 3.34Å; N74-T77 WeakPolarHBondContact ND2-CB 3.26Å; N74-T77 PolarHBondContact ND2-OG1 3.09Å; N74-T77 PolarHBondContact O-N 3.42Å; N74-T77 VanDerWaalsContact O-N 3.11Å; N74-T77 VanDerWaalsContact OD1-CB 3.22Å; N74-T77 WeakPolarHBondContact OD1-CB 3.48Å; N74-T77 PolarHBondContact OD1-OG1 3.19Å; N74-T78 PolarHBondContact O-N 2.69Å; N74-T78 PolarHBondContact O-OG1 2.99Å |
| 75 | I | 95.5 | Very high | 95.4 | Very high | 47 Ų | 47 | 51.2 Ų | 51.2 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.8 | -46.9 | -171.8 | -61.8 | 171.6 | 0 | 0 | 0 | 111.6 | R53 N54 T77 T78 R79 | R53-I75 HydrophobicContact CB-CD1 4.25Å; R53-I75 VanDerWaalsContact O-CB 3.3Å; R53-I75 WeakPolarHBondContact O-CB 3.42Å; R53-I75 WeakPolarHBondContact O-CG2 3.28Å; N54-I75 WeakPolarHBondContact O-CG1 3.36Å; N54-I75 PolarHBondContact O-N 3.29Å; I75-T77 PolarHBondContact O-N 3.49Å; I75-T78 PolarHBondContact O-N 2.96Å; I75-R79 WeakPolarHBondContact O-CB 3.46Å; I75-R79 PolarHBondContact O-N 3.07Å |
| 76 | S | 93.5 | Very high | 95.5 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 30% | 0.301 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 179.4 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | N54 N74 R79 W80 | N54-S76 VanDerWaalsContact OD1-CB 3.26Å; N54-S76 WeakPolarHBondContact OD1-CB 3.46Å; N54-S76 PolarHBondContact OD1-OG 3.02Å; N74-S76 VanDerWaalsContact C-N 3.33Å; N74-S76 PolarHBondContact O-N 2.89Å; S76-R79 WeakPolarHBondContact O-CB 3.34Å; S76-R79 PolarHBondContact O-N 2.94Å; S76-W80 PolarHBondContact O-N 3Å |
| 77 | T | 95 | Very high | 95.5 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | N74 I75 R79 W80 L81 | N74-T77 VanDerWaalsContact ND2-CB 3.34Å; N74-T77 WeakPolarHBondContact ND2-CB 3.26Å; N74-T77 PolarHBondContact ND2-OG1 3.09Å; N74-T77 PolarHBondContact O-N 3.42Å; N74-T77 VanDerWaalsContact O-N 3.11Å; N74-T77 VanDerWaalsContact OD1-CB 3.22Å; N74-T77 WeakPolarHBondContact OD1-CB 3.48Å; N74-T77 PolarHBondContact OD1-OG1 3.19Å; I75-T77 PolarHBondContact O-N 3.49Å; T77-R79 VanDerWaalsContact C-N 3.3Å; T77-R79 PolarHBondContact O-N 3.45Å; T77-W80 HydrophobicContact CG2-CE3 4.07Å; T77-W80 HydrophobicContact CG2-CZ3 4.44Å; T77-W80 PolarHBondContact O-N 3.35Å; T77-L81 HydrophobicContact CG2-CD1 4.14Å; T77-L81 HydrophobicContact CG2-CG 4.38Å; T77-L81 WeakPolarHBondContact O-CB 3.42Å; T77-L81 WeakPolarHBondContact O-CG 3.31Å; T77-L81 PolarHBondContact O-N 2.81Å |
| 78 | T | 95.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 175.7 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | W73 N74 I75 R82 | W73-T78 PolarHBondContact O-OG1 2.89Å; N74-T78 PolarHBondContact O-N 2.69Å; N74-T78 PolarHBondContact O-OG1 2.99Å; I75-T78 PolarHBondContact O-N 2.96Å; T78-R82 WeakPolarHBondContact O-CB 3.36Å; T78-R82 PolarHBondContact O-N 3.02Å |
| 79 | R | 94.5 | Very high | 95.6 | Very high | 129 Ų | 129 | 61.9 Ų | 61.9 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.3 | -50 | 173.4 | -179.2 | 179.6 | 178.5 | -179.1 | -0.9 | 111.3 | I75 S76 T77 L81 R82 E83 | I75-R79 WeakPolarHBondContact O-CB 3.46Å; I75-R79 PolarHBondContact O-N 3.07Å; S76-R79 WeakPolarHBondContact O-CB 3.34Å; S76-R79 PolarHBondContact O-N 2.94Å; T77-R79 VanDerWaalsContact C-N 3.3Å; T77-R79 PolarHBondContact O-N 3.45Å; R79-L81 VanDerWaalsContact C-N 3.34Å; R79-L81 PolarHBondContact O-N 2.77Å; R79-R82 WeakPolarHBondContact O-CB 3.4Å; R79-R82 PolarHBondContact O-N 3.31Å; R79-E83 HydrophobicContact CG-CG 4.44Å; R79-E83 VanDerWaalsContact CG-OE1 3.28Å; R79-E83 WeakPolarHBondContact CG-OE1 3.17Å; R79-E83 IonicContact CZ-OE1 2.78Å; R79-E83 IonicContact NE-OE1 3.49Å; R79-E83 PolarHBondContact NE-OE1 3.02Å; R79-E83 IonicContact NE-OE2 3.51Å; R79-E83 IonicContact NH2-OE1 3.9Å; R79-E83 PolarHBondContact NH2-OE1 3.22Å; R79-E83 WeakPolarHBondContact O-CG 3.39Å; R79-E83 PolarHBondContact O-N 3.39Å |
| 80 | W | 95.6 | Very high | 95.5 | Very high | 97 Ų | 97 | 65.3 Ų | 65.3 | 37% | 0.367 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.6 | -46.1 | 176.7 | 166.7 | 71.5 | 0 | 0 | 0 | 112.3 | S76 T77 R82 E83 T84 F85 W105 | S76-W80 PolarHBondContact O-N 3Å; T77-W80 HydrophobicContact CG2-CE3 4.07Å; T77-W80 HydrophobicContact CG2-CZ3 4.44Å; T77-W80 PolarHBondContact O-N 3.35Å; W80-R82 VanDerWaalsContact C-N 3.28Å; W80-R82 PolarHBondContact O-N 3.26Å; W80-E83 PolarHBondContact O-N 2.99Å; W80-T84 VanDerWaalsContact CD1-OG1 3.29Å; W80-T84 PolarHBondContact NE1-OG1 3.49Å; W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 PolarHBondContact O-N 2.83Å; W80-T84 PolarHBondContact O-OG1 3.3Å; W80-F85 AromaticContact CH2-CE2 3.91Å; W80-F85 HydrophobicContact CH2-CE2 3.91Å; W80-F85 AromaticContact CZ2-CE2 3.76Å; W80-F85 HydrophobicContact CZ2-CE2 3.76Å; W80-F85 HydrophobicContact CZ2-CZ 4.43Å; W80-W105 AromaticContact CH2-CD1 3.74Å; W80-W105 HydrophobicContact CH2-CG 4.4Å |
| 81 | L | 96.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176 | -75.1 | 171.3 | 0 | 0 | 0 | 112.1 | T77 R79 F85 Y86 V98 I101 S102 | T77-L81 HydrophobicContact CG2-CD1 4.14Å; T77-L81 HydrophobicContact CG2-CG 4.38Å; T77-L81 WeakPolarHBondContact O-CB 3.42Å; T77-L81 WeakPolarHBondContact O-CG 3.31Å; T77-L81 PolarHBondContact O-N 2.81Å; R79-L81 VanDerWaalsContact C-N 3.34Å; R79-L81 PolarHBondContact O-N 2.77Å; L81-F85 HydrophobicContact CD2-CD2 4.03Å; L81-F85 HydrophobicContact CD2-CE2 4.4Å; L81-F85 PolarHBondContact O-N 2.63Å; L81-F85 VanDerWaalsContact O-N 3.09Å; L81-Y86 PolarHBondContact O-N 3.36Å; L81-V98 HydrophobicContact CB-CG1 4.17Å; L81-V98 HydrophobicContact CD1-CG1 4.24Å; L81-V98 HydrophobicContact CD2-CG1 4.44Å; L81-I101 HydrophobicContact CD2-CG2 4.22Å; L81-S102 WeakPolarHBondContact CD1-OG 3.41Å |
| 82 | R | 95.8 | Very high | 95.2 | Very high | 106 Ų | 106 | 69.3 Ų | 69.3 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.3 | -55.1 | 177.7 | 179.3 | 172.5 | -69.3 | 150.5 | 8 | 111.4 | D71 T78 R79 W80 Y86 D87 | D71-R82 IonicContact OD1-NH2 3.34Å; D71-R82 PolarHBondContact OD1-NH2 3.3Å; T78-R82 WeakPolarHBondContact O-CB 3.36Å; T78-R82 PolarHBondContact O-N 3.02Å; R79-R82 WeakPolarHBondContact O-CB 3.4Å; R79-R82 PolarHBondContact O-N 3.31Å; W80-R82 VanDerWaalsContact C-N 3.28Å; W80-R82 PolarHBondContact O-N 3.26Å; R82-Y86 PolarHBondContact O-N 2.88Å; R82-D87 WeakPolarHBondContact CG-OD2 3.14Å; R82-D87 PolarHBondContact O-N 3.47Å; R82-D87 VanDerWaalsContact O-N 3.15Å |
| 83 | E | 95.8 | Very high | 95 | Very high | 98 Ų | 98 | 76.1 Ų | 76.1 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.4 | -34.6 | -173.5 | -66.7 | 171.6 | 178.1 | 0 | 0 | 112.5 | R79 W80 R88 | R79-E83 HydrophobicContact CG-CG 4.44Å; R79-E83 VanDerWaalsContact CG-OE1 3.28Å; R79-E83 WeakPolarHBondContact CG-OE1 3.17Å; R79-E83 IonicContact CZ-OE1 2.78Å; R79-E83 IonicContact NE-OE1 3.49Å; R79-E83 PolarHBondContact NE-OE1 3.02Å; R79-E83 IonicContact NE-OE2 3.51Å; R79-E83 IonicContact NH2-OE1 3.9Å; R79-E83 PolarHBondContact NH2-OE1 3.22Å; R79-E83 WeakPolarHBondContact O-CG 3.39Å; R79-E83 PolarHBondContact O-N 3.39Å; W80-E83 PolarHBondContact O-N 2.99Å; E83-R88 PolarHBondContact O-NE 3.43Å |
| 84 | T | 96.8 | Very high | 95 | Very high | 44 Ų | 44 | 75.8 Ų | 75.8 | 27% | 0.27 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -84.9 | -40.9 | -176.5 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | W80 R88 | W80-T84 VanDerWaalsContact CD1-OG1 3.29Å; W80-T84 PolarHBondContact NE1-OG1 3.49Å; W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 PolarHBondContact O-N 2.83Å; W80-T84 PolarHBondContact O-OG1 3.3Å; T84-R88 VanDerWaalsContact O-CD 3.29Å; T84-R88 WeakPolarHBondContact O-CD 3.42Å; T84-R88 PolarHBondContact O-NE 2.94Å |
| 85 | F | 96.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 75.5 Ų | 75.5 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -58 | -170.6 | -58 | -73.5 | 0 | 0 | 0 | 112.8 | W80 L81 D87 R88 L89 V98 I101 | W80-F85 AromaticContact CH2-CE2 3.91Å; W80-F85 HydrophobicContact CH2-CE2 3.91Å; W80-F85 AromaticContact CZ2-CE2 3.76Å; W80-F85 HydrophobicContact CZ2-CE2 3.76Å; W80-F85 HydrophobicContact CZ2-CZ 4.43Å; L81-F85 HydrophobicContact CD2-CD2 4.03Å; L81-F85 HydrophobicContact CD2-CE2 4.4Å; L81-F85 PolarHBondContact O-N 2.63Å; L81-F85 VanDerWaalsContact O-N 3.09Å; F85-D87 VanDerWaalsContact C-N 3.31Å; F85-D87 PolarHBondContact O-N 3.08Å; F85-D87 VanDerWaalsContact O-N 3.16Å; F85-R88 PolarHBondContact O-N 3.06Å; F85-L89 HydrophobicContact CB-CD1 4.05Å; F85-L89 WeakPolarHBondContact O-CG 3.15Å; F85-L89 PolarHBondContact O-N 2.87Å; F85-V98 HydrophobicContact CB-CG2 4.29Å; F85-I101 HydrophobicContact CB-CD1 3.97Å; F85-I101 HydrophobicContact CD1-CD1 3.71Å; F85-I101 HydrophobicContact CD2-CD1 4.44Å; F85-I101 HydrophobicContact CD2-CG2 4Å; F85-I101 HydrophobicContact CE1-CD1 4.29Å; F85-I101 HydrophobicContact CE2-CG2 3.84Å; F85-I101 HydrophobicContact CG-CD1 3.79Å; F85-I101 HydrophobicContact CG-CG2 4.4Å; F85-I101 HydrophobicContact CZ-CG2 4.1Å |
| 86 | Y | 95.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 76 Ų | 76 | 31% | 0.31 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -52.1 | -48.1 | -167.5 | -174.4 | -93.4 | 0 | 0 | 0 | 112.8 | L81 R82 R88 L89 R94 V98 | L81-Y86 PolarHBondContact O-N 3.36Å; R82-Y86 PolarHBondContact O-N 2.88Å; Y86-R88 VanDerWaalsContact C-N 3.31Å; Y86-R88 PolarHBondContact O-N 3.09Å; Y86-L89 PolarHBondContact O-N 3.28Å; Y86-R94 HydrophobicContact CD2-CB 3.76Å; Y86-R94 HydrophobicContact CE2-CB 3.58Å; Y86-R94 HydrophobicContact CG-CB 4.37Å; Y86-R94 WeakPolarHBondContact O-CD 3.44Å; Y86-R94 WeakPolarHBondContact O-CG 3.37Å; Y86-R94 PolarHBondContact O-NE 2.78Å; Y86-V98 HydrophobicContact CD2-CG2 3.94Å; Y86-V98 HydrophobicContact CG-CG2 4.4Å |
| 87 | D | 94.9 | Very high | 95.1 | Very high | 84 Ų | 84 | 76.7 Ų | 76.7 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -73.5 | -23.7 | -176.2 | -69.6 | -32.1 | 0 | 0 | 0 | 113.2 | R82 F85 R94 | R82-D87 WeakPolarHBondContact CG-OD2 3.14Å; R82-D87 PolarHBondContact O-N 3.47Å; R82-D87 VanDerWaalsContact O-N 3.15Å; F85-D87 VanDerWaalsContact C-N 3.31Å; F85-D87 PolarHBondContact O-N 3.08Å; F85-D87 VanDerWaalsContact O-N 3.16Å; D87-R94 PolarHBondContact O-NH2 3.29Å; D87-R94 VanDerWaalsContact O-NH2 3.15Å |
| 88 | R | 95.8 | Very high | 95.2 | Very high | 199 Ų | 199 | 76 Ų | 76 | 75% | 0.751 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -88.6 | -14.3 | 179.6 | -53.2 | -173.2 | -168.1 | -170.1 | -2.8 | 113.3 | E83 T84 F85 Y86 | E83-R88 PolarHBondContact O-NE 3.43Å; T84-R88 VanDerWaalsContact O-CD 3.29Å; T84-R88 WeakPolarHBondContact O-CD 3.42Å; T84-R88 PolarHBondContact O-NE 2.94Å; F85-R88 PolarHBondContact O-N 3.06Å; Y86-R88 VanDerWaalsContact C-N 3.31Å; Y86-R88 PolarHBondContact O-N 3.09Å |
| 89 | L | 95.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -84.6 | 156 | -178.4 | -73.4 | 168.6 | 0 | 0 | 0 | 112.6 | F85 Y86 S91 R94 L97 V98 I101 | F85-L89 HydrophobicContact CB-CD1 4.05Å; F85-L89 WeakPolarHBondContact O-CG 3.15Å; F85-L89 PolarHBondContact O-N 2.87Å; Y86-L89 PolarHBondContact O-N 3.28Å; L89-S91 PolarHBondContact O-N 3.45Å; L89-R94 HydrophobicContact CB-CG 4.03Å; L89-R94 WeakPolarHBondContact O-CG 3.23Å; L89-R94 PolarHBondContact O-NE 3.08Å; L89-R94 PolarHBondContact O-NH2 2.86Å; L89-L97 HydrophobicContact CD1-CB 3.71Å; L89-L97 HydrophobicContact CD1-CD1 4.36Å; L89-L97 HydrophobicContact CD2-CD1 3.82Å; L89-L97 HydrophobicContact CG-CD1 4.48Å; L89-V98 HydrophobicContact CD1-CG2 4.01Å; L89-I101 HydrophobicContact CD1-CD1 4.21Å |
| 90 | P | 95.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 73.1 Ų | 73.1 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | trans | -60.4 | 130.8 | 176.4 | -23 | 33.4 | 0 | 0 | 0 | 112.1 | A92 Y93 R94 | P90-A92 PolarHBondContact O-N 3.43Å; P90-Y93 HydrophobicContact CB-CD2 4.45Å; P90-Y93 PolarHBondContact O-N 3.04Å; P90-R94 VanDerWaalsContact O-CG 3.24Å; P90-R94 WeakPolarHBondContact O-CG 3.47Å; P90-R94 PolarHBondContact O-N 2.72Å; P90-R94 VanDerWaalsContact O-N 3.16Å | ||
| 91 | S | 91.7 | Very high | 95.5 | Very high | 100 Ų | 100 | 70.4 Ų | 70.4 | 70% | 0.699 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -39.7 | -172.9 | -173.4 | 0 | 0 | 0 | 0 | 114.1 | L89 Y93 | L89-S91 PolarHBondContact O-N 3.45Å; S91-Y93 VanDerWaalsContact C-N 3.28Å; S91-Y93 PolarHBondContact O-N 3.36Å |
| 92 | A | 91.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 70.2 Ų | 70.2 | 66% | 0.661 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P90 | P90-A92 PolarHBondContact O-N 3.43Š|
| 93 | Y | 92.8 | Very high | 95.6 | Very high | 145 Ų | 145 | 65.3 Ų | 65.3 | 57% | 0.569 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 0.5 | -169.1 | -52.7 | -65.6 | 0 | 0 | 0 | 114.4 | P90 S91 T95 I96 L97 | P90-Y93 HydrophobicContact CB-CD2 4.45Å; P90-Y93 PolarHBondContact O-N 3.04Å; S91-Y93 VanDerWaalsContact C-N 3.28Å; S91-Y93 PolarHBondContact O-N 3.36Å; Y93-T95 VanDerWaalsContact C-N 3.31Å; Y93-T95 PolarHBondContact O-N 3.46Å; Y93-T95 VanDerWaalsContact O-N 3.15Å; Y93-I96 PolarHBondContact O-N 3.04Å; Y93-L97 WeakPolarHBondContact O-CG 3.24Å; Y93-L97 PolarHBondContact O-N 3.48Å |
| 94 | R | 95.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 24% | 0.242 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -48.5 | -47.4 | -175 | -62.7 | -177.1 | 170.6 | -175.6 | -3 | 113.9 | Y86 D87 L89 P90 V98 | Y86-R94 HydrophobicContact CD2-CB 3.76Å; Y86-R94 HydrophobicContact CE2-CB 3.58Å; Y86-R94 HydrophobicContact CG-CB 4.37Å; Y86-R94 WeakPolarHBondContact O-CD 3.44Å; Y86-R94 WeakPolarHBondContact O-CG 3.37Å; Y86-R94 PolarHBondContact O-NE 2.78Å; D87-R94 PolarHBondContact O-NH2 3.29Å; D87-R94 VanDerWaalsContact O-NH2 3.15Å; L89-R94 HydrophobicContact CB-CG 4.03Å; L89-R94 WeakPolarHBondContact O-CG 3.23Å; L89-R94 PolarHBondContact O-NE 3.08Å; L89-R94 PolarHBondContact O-NH2 2.86Å; P90-R94 VanDerWaalsContact O-CG 3.24Å; P90-R94 WeakPolarHBondContact O-CG 3.47Å; P90-R94 PolarHBondContact O-N 2.72Å; P90-R94 VanDerWaalsContact O-N 3.16Å; R94-V98 WeakPolarHBondContact O-CB 3.22Å; R94-V98 VanDerWaalsContact O-CG2 3.3Å; R94-V98 WeakPolarHBondContact O-CG2 3.39Å; R94-V98 PolarHBondContact O-N 3.13Å |
| 95 | T | 93 | Very high | 95.7 | Very high | 18 Ų | 18 | 71.2 Ų | 71.2 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -50.5 | -176.8 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | Y93 V98 F99 M124 R127 | Y93-T95 VanDerWaalsContact C-N 3.31Å; Y93-T95 PolarHBondContact O-N 3.46Å; Y93-T95 VanDerWaalsContact O-N 3.15Å; T95-V98 PolarHBondContact O-N 3.5Å; T95-F99 HydrophobicContact CG2-CD2 3.79Å; T95-F99 HydrophobicContact CG2-CE2 3.68Å; T95-F99 WeakPolarHBondContact O-CD2 3.46Å; T95-F99 PolarHBondContact O-N 2.86Å; T95-M124 HydrophobicContact CG2-CG 4.18Å; T95-R127 PolarHBondContact OG1-NH1 2.76Å; T95-R127 VanDerWaalsContact OG1-NH1 3.16Å; T95-R127 PolarHBondContact OG1-NH2 3.23Å |
| 96 | I | 96.1 | Very high | 95.7 | Very high | 58 Ų | 58 | 71 Ų | 71 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | -176.1 | -64.5 | 168.9 | 0 | 0 | 0 | 109.8 | Y93 V98 F99 I100 M124 | Y93-I96 PolarHBondContact O-N 3.04Å; I96-V98 PolarHBondContact O-N 2.98Å; I96-F99 PolarHBondContact O-N 3.18Å; I96-I100 HydrophobicContact CG2-CD1 3.8Å; I96-I100 HydrophobicContact CG2-CG1 4.43Å; I96-I100 WeakPolarHBondContact O-CG1 3.26Å; I96-I100 PolarHBondContact O-N 3.37Å; I96-M124 HydrophobicContact CD1-SD 4Å; I96-M124 HydrophobicContact CG1-SD 3.9Å |
| 97 | L | 97.3 | Very high | 95.7 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | -179.3 | -68.9 | 176.1 | 0 | 0 | 0 | 112.6 | L89 Y93 F99 I100 I101 | L89-L97 HydrophobicContact CD1-CB 3.71Å; L89-L97 HydrophobicContact CD1-CD1 4.36Å; L89-L97 HydrophobicContact CD2-CD1 3.82Å; L89-L97 HydrophobicContact CG-CD1 4.48Å; Y93-L97 WeakPolarHBondContact O-CG 3.24Å; Y93-L97 PolarHBondContact O-N 3.48Å; L97-F99 VanDerWaalsContact C-N 3.31Å; L97-F99 PolarHBondContact O-N 3.18Å; L97-I100 PolarHBondContact O-N 3.03Å; L97-I101 WeakPolarHBondContact O-CB 3.25Å; L97-I101 WeakPolarHBondContact O-CD1 3.43Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.49Å; L97-I101 PolarHBondContact O-N 3.31Å |
| 98 | V | 97.3 | Very high | 95.8 | Very high | 19 Ų | 19 | 72.2 Ų | 72.2 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 175.5 | 168 | 0 | 0 | 0 | 0 | 112 | L81 F85 Y86 L89 R94 T95 I96 I101 S102 | L81-V98 HydrophobicContact CB-CG1 4.17Å; L81-V98 HydrophobicContact CD1-CG1 4.24Å; L81-V98 HydrophobicContact CD2-CG1 4.44Å; F85-V98 HydrophobicContact CB-CG2 4.29Å; Y86-V98 HydrophobicContact CD2-CG2 3.94Å; Y86-V98 HydrophobicContact CG-CG2 4.4Å; L89-V98 HydrophobicContact CD1-CG2 4.01Å; R94-V98 WeakPolarHBondContact O-CB 3.22Å; R94-V98 VanDerWaalsContact O-CG2 3.3Å; R94-V98 WeakPolarHBondContact O-CG2 3.39Å; R94-V98 PolarHBondContact O-N 3.13Å; T95-V98 PolarHBondContact O-N 3.5Å; I96-V98 PolarHBondContact O-N 2.98Å; V98-I101 PolarHBondContact O-N 3.08Å; V98-S102 WeakPolarHBondContact O-CB 3.39Å; V98-S102 PolarHBondContact O-N 2.93Å; V98-S102 PolarHBondContact O-OG 3.33Å |
| 99 | F | 97.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 174.2 | -81.3 | -60.5 | 0 | 0 | 0 | 112.7 | I70 T95 I96 L97 S102 A103 F116 F119 A120 T123 | I70-F99 HydrophobicContact CD1-CZ 3.85Å; T95-F99 HydrophobicContact CG2-CD2 3.79Å; T95-F99 HydrophobicContact CG2-CE2 3.68Å; T95-F99 WeakPolarHBondContact O-CD2 3.46Å; T95-F99 PolarHBondContact O-N 2.86Å; I96-F99 PolarHBondContact O-N 3.18Å; L97-F99 VanDerWaalsContact C-N 3.31Å; L97-F99 PolarHBondContact O-N 3.18Å; F99-S102 WeakPolarHBondContact O-CB 3.25Å; F99-S102 PolarHBondContact O-N 3.39Å; F99-A103 PolarHBondContact O-N 2.86Å; F99-F116 HydrophobicContact CB-CB 4.39Å; F99-F116 HydrophobicContact CD1-CB 4.48Å; F99-F116 AromaticContact CD1-CD1 3.87Å; F99-F116 HydrophobicContact CD1-CD1 3.87Å; F99-F116 HydrophobicContact CE1-CD1 4.49Å; F99-F116 WeakPolarHBondContact O-CB 3.19Å; F99-F119 HydrophobicContact CD1-CB 4.31Å; F99-F119 HydrophobicContact CE1-CB 3.75Å; F99-F119 HydrophobicContact CZ-CB 4Å; F99-A120 HydrophobicContact CB-CB 3.95Å; F99-A120 HydrophobicContact CD2-CB 3.42Å; F99-A120 VanDerWaalsContact CD2-CB 3.42Å; F99-A120 HydrophobicContact CE2-CB 4.14Å; F99-A120 HydrophobicContact CG-CB 3.89Å; F99-T123 WeakPolarHBondContact CZ-OG1 3.1Å |
| 100 | I | 97.2 | Very high | 96 | Very high | 69 Ų | 69 | 69.6 Ų | 69.6 | 35% | 0.354 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 173 | -70.5 | 169 | 0 | 0 | 0 | 110.6 | I96 L97 S102 A103 F104 | I96-I100 HydrophobicContact CG2-CD1 3.8Å; I96-I100 HydrophobicContact CG2-CG1 4.43Å; I96-I100 WeakPolarHBondContact O-CG1 3.26Å; I96-I100 PolarHBondContact O-N 3.37Å; L97-I100 PolarHBondContact O-N 3.03Å; I100-S102 VanDerWaalsContact C-N 3.26Å; I100-S102 PolarHBondContact O-N 3.5Å; I100-A103 WeakPolarHBondContact O-CB 2.81Å; I100-A103 PolarHBondContact O-N 3.49Å; I100-A103 VanDerWaalsContact O-N 3.08Å; I100-F104 HydrophobicContact CG2-CD2 3.71Å; I100-F104 HydrophobicContact CG2-CE2 3.49Å; I100-F104 VanDerWaalsContact CG2-CE2 3.49Å; I100-F104 VanDerWaalsContact O-CD2 3.23Å; I100-F104 WeakPolarHBondContact O-CD2 3.39Å; I100-F104 PolarHBondContact O-N 3.49Å |
| 101 | I | 97.6 | Very high | 96.1 | Very high | 41 Ų | 41 | 65.8 Ų | 65.8 | 21% | 0.21 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 176.1 | -69.5 | 162 | 0 | 0 | 0 | 110.4 | L81 F85 L89 L97 V98 A103 F104 W105 | L81-I101 HydrophobicContact CD2-CG2 4.22Å; F85-I101 HydrophobicContact CB-CD1 3.97Å; F85-I101 HydrophobicContact CD1-CD1 3.71Å; F85-I101 HydrophobicContact CD2-CD1 4.44Å; F85-I101 HydrophobicContact CD2-CG2 4Å; F85-I101 HydrophobicContact CE1-CD1 4.29Å; F85-I101 HydrophobicContact CE2-CG2 3.84Å; F85-I101 HydrophobicContact CG-CD1 3.79Å; F85-I101 HydrophobicContact CG-CG2 4.4Å; F85-I101 HydrophobicContact CZ-CG2 4.1Å; L89-I101 HydrophobicContact CD1-CD1 4.21Å; L97-I101 WeakPolarHBondContact O-CB 3.25Å; L97-I101 WeakPolarHBondContact O-CD1 3.43Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.49Å; L97-I101 PolarHBondContact O-N 3.31Å; V98-I101 PolarHBondContact O-N 3.08Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 3.22Å; I101-F104 PolarHBondContact O-N 3.03Å; I101-W105 PolarHBondContact O-N 3.16Å |
| 102 | S | 97.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | L81 V98 F99 I100 F104 W105 H106 | L81-S102 WeakPolarHBondContact CD1-OG 3.41Å; V98-S102 WeakPolarHBondContact O-CB 3.39Å; V98-S102 PolarHBondContact O-N 2.93Å; V98-S102 PolarHBondContact O-OG 3.33Å; F99-S102 WeakPolarHBondContact O-CB 3.25Å; F99-S102 PolarHBondContact O-N 3.39Å; I100-S102 VanDerWaalsContact C-N 3.26Å; I100-S102 PolarHBondContact O-N 3.5Å; S102-F104 PolarHBondContact O-N 3.01Å; S102-W105 PolarHBondContact O-N 3.46Å; S102-H106 PolarHBondContact O-N 3.38Å; S102-H106 PolarHBondContact O-ND1 3.28Å |
| 103 | A | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F99 I100 I101 W105 H106 G107 Y113 F116 | F99-A103 PolarHBondContact O-N 2.86Å; I100-A103 WeakPolarHBondContact O-CB 2.81Å; I100-A103 PolarHBondContact O-N 3.49Å; I100-A103 VanDerWaalsContact O-N 3.08Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 3.22Å; A103-W105 VanDerWaalsContact C-N 3.31Å; A103-W105 PolarHBondContact O-N 2.93Å; A103-H106 PolarHBondContact O-N 3.42Å; A103-H106 VanDerWaalsContact O-N 3.13Å; A103-G107 PolarHBondContact O-N 3.24Å; A103-Y113 HydrophobicContact CB-CD1 3.91Å; A103-Y113 HydrophobicContact CB-CE1 4.11Å; A103-Y113 HydrophobicContact CB-CG 4.27Å; A103-F116 HydrophobicContact CB-CB 4.02Å; A103-F116 HydrophobicContact CB-CD2 3.57Å; A103-F116 HydrophobicContact CB-CE2 4.43Å; A103-F116 HydrophobicContact CB-CG 4.1Å |
| 104 | F | 97.6 | Very high | 97 | Very high | 110 Ų | 110 | 56.4 Ų | 56.4 | 48% | 0.482 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 178.2 | -79.2 | -69.2 | 0 | 0 | 0 | 113.1 | I100 I101 S102 H106 G107 F108 Y113 | I100-F104 HydrophobicContact CG2-CD2 3.71Å; I100-F104 HydrophobicContact CG2-CE2 3.49Å; I100-F104 VanDerWaalsContact CG2-CE2 3.49Å; I100-F104 VanDerWaalsContact O-CD2 3.23Å; I100-F104 WeakPolarHBondContact O-CD2 3.39Å; I100-F104 PolarHBondContact O-N 3.49Å; I101-F104 PolarHBondContact O-N 3.03Å; S102-F104 PolarHBondContact O-N 3.01Å; F104-H106 PolarHBondContact O-N 3.15Å; F104-G107 PolarHBondContact O-N 2.94Å; F104-G107 VanDerWaalsContact O-N 3.11Å; F104-F108 HydrophobicContact CD1-CE1 4.09Å; F104-F108 HydrophobicContact CE1-CE1 4.12Å; F104-Y113 HydrophobicContact CD1-CE1 4.27Å; F104-Y113 WeakPolarHBondContact CD1-OH 3.26Å; F104-Y113 HydrophobicContact CE1-CE1 4Å; F104-Y113 WeakPolarHBondContact CE1-OH 3.08Å; F104-Y113 HydrophobicContact CE2-CE1 4.28Å; F104-Y113 HydrophobicContact CZ-CE1 4Å |
| 105 | W | 96.8 | Very high | 97.1 | Very high | 157 Ų | 157 | 54.1 Ų | 54.1 | 60% | 0.595 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.7 | -27.7 | 178.2 | -171.1 | 87.1 | 0 | 0 | 0 | 112.9 | W80 I101 S102 A103 | W80-W105 AromaticContact CH2-CD1 3.74Å; W80-W105 HydrophobicContact CH2-CG 4.4Å; I101-W105 PolarHBondContact O-N 3.16Å; S102-W105 PolarHBondContact O-N 3.46Å; A103-W105 VanDerWaalsContact C-N 3.31Å; A103-W105 PolarHBondContact O-N 2.93Å |
| 106 | H | 96.2 | Very high | 97.4 | Very high | 58 Ų | 58 | 54.3 Ų | 54.3 | 27% | 0.269 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -82.9 | -16.4 | 176.4 | -68.5 | 79.5 | 0 | 0 | 0 | 113.4 | S102 A103 F104 Y112 F116 F166 | S102-H106 PolarHBondContact O-N 3.38Å; S102-H106 PolarHBondContact O-ND1 3.28Å; A103-H106 PolarHBondContact O-N 3.42Å; A103-H106 VanDerWaalsContact O-N 3.13Å; F104-H106 PolarHBondContact O-N 3.15Å; H106-Y112 HydrophobicContact CB-CD1 4.31Å; H106-Y112 HydrophobicContact CB-CD2 3.66Å; H106-Y112 HydrophobicContact CB-CE1 4.45Å; H106-Y112 HydrophobicContact CB-CE2 3.83Å; H106-Y112 HydrophobicContact CB-CG 3.92Å; H106-Y112 WeakPolarHBondContact O-CE2 3.39Å; H106-F116 HydrophobicContact CB-CE2 4.41Å; H106-F116 AromaticContact CE1-CE2 3.89Å; H106-F116 AromaticContact CE1-CZ 3.35Å; H106-F116 WeakPolarHBondContact CE1-CZ 3.14Å; H106-F116 AromaticContact CG-CE2 3.9Å; H106-F116 AromaticContact ND1-CE2 3.41Å; H106-F116 WeakPolarHBondContact ND1-CE2 3.43Å; H106-F116 AromaticContact ND1-CZ 3.36Å; H106-F116 WeakPolarHBondContact ND1-CZ 3.2Å; H106-F166 HydrophobicContact CB-CE2 4.36Å; H106-F166 AromaticContact CD2-CE2 3.33Å; H106-F166 WeakPolarHBondContact CD2-CE2 3.44Å; H106-F166 AromaticContact CD2-CZ 3.4Å; H106-F166 VanDerWaalsContact CD2-CZ 3.4Å; H106-F166 WeakPolarHBondContact CD2-CZ 3.24Å; H106-F166 AromaticContact CG-CE2 3.79Å; H106-F166 AromaticContact NE2-CE2 3.74Å; H106-F166 AromaticContact NE2-CZ 3.85Å |
| 107 | G | 96.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | trans | 114.6 | -167 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A103 F104 | A103-G107 PolarHBondContact O-N 3.24Å; F104-G107 PolarHBondContact O-N 2.94Å; F104-G107 VanDerWaalsContact O-N 3.11Å | ||
| 108 | F | 95.9 | Very high | 97.4 | Very high | 167 Ų | 167 | 54.4 Ų | 54.4 | 73% | 0.732 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -98.3 | 11.3 | -168 | -61.7 | -80.7 | 0 | 0 | 0 | 114.8 | F104 P110 Y113 | F104-F108 HydrophobicContact CD1-CE1 4.09Å; F104-F108 HydrophobicContact CE1-CE1 4.12Å; F108-P110 WeakPolarHBondContact O-CD 3.46Å; F108-Y113 WeakPolarHBondContact CD1-OH 3.34Å |
| 109 | Y | 97.7 | Very high | 97.5 | Very high | 128 Ų | 128 | 54.5 Ų | 54.5 | 50% | 0.502 | 25% | 0.254 | S | S | . | . | trans | -69.4 | 126.3 | 175.5 | -71 | -78 | 0 | 0 | 0 | 110.5 | G111 Y112 Y113 L169 | Y109-G111 PolarHBondContact O-N 3.29Å; Y109-G111 VanDerWaalsContact O-N 3.08Å; Y109-Y112 AromaticContact CD2-CE2 3.77Å; Y109-Y112 HydrophobicContact CD2-CE2 3.77Å; Y109-Y112 HydrophobicContact CG-CE2 4.26Å; Y109-Y112 WeakPolarHBondContact O-CB 3.16Å; Y109-Y112 PolarHBondContact O-N 3.32Å; Y109-Y113 WeakPolarHBondContact O-CD2 3.37Å; Y109-L169 HydrophobicContact CD1-CB 4.12Å; Y109-L169 HydrophobicContact CG-CB 4.27Å; Y109-L169 HydrophobicContact CG-CD2 4.31Å | ||
| 110 | P | 97.5 | Very high | 97.4 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.3 | -30.6 | -175.2 | -28.8 | 35.7 | 0 | 0 | 0 | 114.9 | F108 Y112 Y113 I114 F171 | F108-P110 WeakPolarHBondContact O-CD 3.46Å; P110-Y112 PolarHBondContact O-N 3.05Å; P110-Y113 PolarHBondContact O-N 3.39Å; P110-I114 WeakPolarHBondContact O-CG1 3.33Å; P110-I114 PolarHBondContact O-N 3.11Å; P110-I114 VanDerWaalsContact O-N 3.09Å; P110-F171 HydrophobicContact CB-CB 3.65Å; P110-F171 HydrophobicContact CB-CD2 4.03Å; P110-F171 HydrophobicContact CB-CG 4.32Å; P110-F171 HydrophobicContact CG-CB 4.01Å |
| 111 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.9 | -33.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y109 I114 M115 P165 L169 | Y109-G111 PolarHBondContact O-N 3.29Å; Y109-G111 VanDerWaalsContact O-N 3.08Å; G111-I114 PolarHBondContact O-N 3.09Å; G111-M115 WeakPolarHBondContact O-CB 3.46Å; G111-M115 PolarHBondContact O-N 3.26Å; G111-P165 CarbonylContact C-O 3.58Å; G111-P165 VanDerWaalsContact CA-O 3.28Å; G111-P165 WeakPolarHBondContact CA-O 3.35Å; G111-P165 CarbonylContact O-C 3.42Å; G111-P165 WeakPolarHBondContact O-CB 3.06Å; G111-L169 WeakPolarHBondContact CA-O 3.49Å; G111-L169 PolarHBondContact N-O 2.91Å |
| 112 | Y | 98 | Very high | 97.4 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -47.3 | 175.6 | -59.3 | -32.6 | 0 | 0 | 0 | 111.6 | H106 Y109 P110 I114 M115 F116 F166 L169 | H106-Y112 HydrophobicContact CB-CD1 4.31Å; H106-Y112 HydrophobicContact CB-CD2 3.66Å; H106-Y112 HydrophobicContact CB-CE1 4.45Å; H106-Y112 HydrophobicContact CB-CE2 3.83Å; H106-Y112 HydrophobicContact CB-CG 3.92Å; H106-Y112 WeakPolarHBondContact O-CE2 3.39Å; Y109-Y112 AromaticContact CD2-CE2 3.77Å; Y109-Y112 HydrophobicContact CD2-CE2 3.77Å; Y109-Y112 HydrophobicContact CG-CE2 4.26Å; Y109-Y112 WeakPolarHBondContact O-CB 3.16Å; Y109-Y112 PolarHBondContact O-N 3.32Å; P110-Y112 PolarHBondContact O-N 3.05Å; Y112-I114 PolarHBondContact O-N 2.94Å; Y112-M115 PolarHBondContact O-N 2.98Å; Y112-F116 WeakPolarHBondContact O-CD2 3.42Å; Y112-F116 PolarHBondContact O-N 3.15Å; Y112-F166 HydrophobicContact CD1-CB 4.43Å; Y112-F166 AromaticContact CD1-CD2 3.35Å; Y112-F166 HydrophobicContact CD1-CD2 3.35Å; Y112-F166 AromaticContact CD1-CE2 3.6Å; Y112-F166 HydrophobicContact CD1-CE2 3.6Å; Y112-F166 AromaticContact CD1-CG 3.88Å; Y112-F166 HydrophobicContact CD1-CG 3.88Å; Y112-F166 HydrophobicContact CD1-CZ 4.31Å; Y112-F166 HydrophobicContact CE1-CD1 4.23Å; Y112-F166 AromaticContact CE1-CD2 3.72Å; Y112-F166 HydrophobicContact CE1-CD2 3.72Å; Y112-F166 HydrophobicContact CE1-CE1 4.18Å; Y112-F166 AromaticContact CE1-CE2 3.68Å; Y112-F166 HydrophobicContact CE1-CE2 3.68Å; Y112-F166 AromaticContact CE1-CG 3.99Å; Y112-F166 HydrophobicContact CE1-CG 3.99Å; Y112-F166 AromaticContact CE1-CZ 3.92Å; Y112-F166 HydrophobicContact CE1-CZ 3.92Å; Y112-F166 HydrophobicContact CG-CD2 4.41Å; Y112-L169 HydrophobicContact CD1-CD2 4.32Å; Y112-L169 HydrophobicContact CE1-CD2 3.43Å; Y112-L169 VanDerWaalsContact CE1-CD2 3.43Å; Y112-L169 HydrophobicContact CE2-CD2 4.37Å; Y112-L169 VanDerWaalsContact CZ-CD2 3.47Å; Y112-L169 WeakPolarHBondContact OH-CD2 3.38Å |
| 113 | Y | 98.2 | Very high | 97.4 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 28% | 0.275 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63 | -42.7 | 179.1 | -63.3 | -93.3 | 0 | 0 | 0 | 111.6 | A103 F104 F108 Y109 P110 M115 L117 | A103-Y113 HydrophobicContact CB-CD1 3.91Å; A103-Y113 HydrophobicContact CB-CE1 4.11Å; A103-Y113 HydrophobicContact CB-CG 4.27Å; F104-Y113 HydrophobicContact CD1-CE1 4.27Å; F104-Y113 WeakPolarHBondContact CD1-OH 3.26Å; F104-Y113 HydrophobicContact CE1-CE1 4Å; F104-Y113 WeakPolarHBondContact CE1-OH 3.08Å; F104-Y113 HydrophobicContact CE2-CE1 4.28Å; F104-Y113 HydrophobicContact CZ-CE1 4Å; F108-Y113 WeakPolarHBondContact CD1-OH 3.34Å; Y109-Y113 WeakPolarHBondContact O-CD2 3.37Å; P110-Y113 PolarHBondContact O-N 3.39Å; Y113-M115 VanDerWaalsContact C-N 3.35Å; Y113-M115 PolarHBondContact O-N 3.43Å; Y113-L117 WeakPolarHBondContact O-CB 3.32Å; Y113-L117 PolarHBondContact O-N 3.49Å |
| 114 | I | 98 | Very high | 97.3 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.2 | -65.6 | 171.2 | 0 | 0 | 0 | 110 | P110 G111 Y112 S118 P165 F171 L178 | P110-I114 WeakPolarHBondContact O-CG1 3.33Å; P110-I114 PolarHBondContact O-N 3.11Å; P110-I114 VanDerWaalsContact O-N 3.09Å; G111-I114 PolarHBondContact O-N 3.09Å; Y112-I114 PolarHBondContact O-N 2.94Å; I114-S118 VanDerWaalsContact O-CB 3.26Å; I114-S118 WeakPolarHBondContact O-CB 3.4Å; I114-S118 PolarHBondContact O-N 3.44Å; I114-S118 PolarHBondContact O-OG 2.78Å; I114-P165 HydrophobicContact CB-CB 4.05Å; I114-P165 HydrophobicContact CG2-CB 3.81Å; I114-P165 HydrophobicContact CG2-CG 3.77Å; I114-F171 HydrophobicContact CD1-CD2 3.78Å; I114-F171 HydrophobicContact CD1-CE2 4.17Å; I114-L178 HydrophobicContact CG2-CD1 3.65Å |
| 115 | M | 97.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -59.1 | 179.5 | -166 | -146.1 | 57 | 0 | 0 | 110.9 | G111 Y112 Y113 L117 S118 F119 G162 Q163 P165 F166 | G111-M115 WeakPolarHBondContact O-CB 3.46Å; G111-M115 PolarHBondContact O-N 3.26Å; Y112-M115 PolarHBondContact O-N 2.98Å; Y113-M115 VanDerWaalsContact C-N 3.35Å; Y113-M115 PolarHBondContact O-N 3.43Å; M115-L117 PolarHBondContact O-N 3.3Å; M115-S118 WeakPolarHBondContact O-CA 3.35Å; M115-S118 WeakPolarHBondContact O-CB 3.33Å; M115-S118 PolarHBondContact O-N 3.02Å; M115-S118 VanDerWaalsContact O-N 3.08Å; M115-F119 HydrophobicContact CE-CD2 4.44Å; M115-F119 HydrophobicContact CG-CD2 3.82Å; M115-F119 HydrophobicContact CG-CE2 3.75Å; M115-F119 WeakPolarHBondContact O-CD2 3.47Å; M115-F119 PolarHBondContact O-N 2.76Å; M115-F119 HydrophobicContact SD-CD2 4.24Å; M115-F119 HydrophobicContact SD-CE2 3.95Å; M115-G162 WeakPolarHBondContact CG-O 3.16Å; M115-Q163 HydrophobicContact SD-CB 4.33Å; M115-P165 HydrophobicContact CB-CB 4.32Å; M115-F166 HydrophobicContact CB-CB 3.97Å; M115-F166 HydrophobicContact CE-CB 4.46Å; M115-F166 HydrophobicContact CE-CD2 3.74Å; M115-F166 HydrophobicContact CE-CE2 4.45Å; M115-F166 HydrophobicContact CE-CG 4.44Å; M115-F166 HydrophobicContact CG-CB 3.84Å; M115-F166 HydrophobicContact SD-CB 3.34Å; M115-F166 WeakPolarHBondContact SD-CB 3.33Å; M115-F166 HydrophobicContact SD-CD2 3.65Å; M115-F166 HydrophobicContact SD-CG 3.74Å |
| 116 | F | 98 | Very high | 97.1 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 9% | 0.092 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | -173.2 | -76 | -64.5 | 0 | 0 | 0 | 113 | F99 A103 H106 Y112 S118 F119 A120 F166 | F99-F116 HydrophobicContact CB-CB 4.39Å; F99-F116 HydrophobicContact CD1-CB 4.48Å; F99-F116 AromaticContact CD1-CD1 3.87Å; F99-F116 HydrophobicContact CD1-CD1 3.87Å; F99-F116 HydrophobicContact CE1-CD1 4.49Å; F99-F116 WeakPolarHBondContact O-CB 3.19Å; A103-F116 HydrophobicContact CB-CB 4.02Å; A103-F116 HydrophobicContact CB-CD2 3.57Å; A103-F116 HydrophobicContact CB-CE2 4.43Å; A103-F116 HydrophobicContact CB-CG 4.1Å; H106-F116 HydrophobicContact CB-CE2 4.41Å; H106-F116 AromaticContact CE1-CE2 3.89Å; H106-F116 AromaticContact CE1-CZ 3.35Å; H106-F116 WeakPolarHBondContact CE1-CZ 3.14Å; H106-F116 AromaticContact CG-CE2 3.9Å; H106-F116 AromaticContact ND1-CE2 3.41Å; H106-F116 WeakPolarHBondContact ND1-CE2 3.43Å; H106-F116 AromaticContact ND1-CZ 3.36Å; H106-F116 WeakPolarHBondContact ND1-CZ 3.2Å; Y112-F116 WeakPolarHBondContact O-CD2 3.42Å; Y112-F116 PolarHBondContact O-N 3.15Å; F116-S118 VanDerWaalsContact C-N 3.34Å; F116-F119 PolarHBondContact O-N 3.44Å; F116-A120 PolarHBondContact O-N 2.84Å; F116-F166 HydrophobicContact CE2-CD2 4.18Å; F116-F166 HydrophobicContact CE2-CE2 4.07Å; F116-F166 HydrophobicContact CZ-CD2 4.44Å; F116-F166 HydrophobicContact CZ-CE2 4.17Å |
| 117 | L | 97.3 | Very high | 97 | Very high | 111 Ų | 111 | 42.5 Ų | 42.5 | 58% | 0.581 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -66.8 | -37.7 | 174.1 | -175.3 | 59.8 | 0 | 0 | 0 | 111.6 | Y113 M115 A120 L121 | Y113-L117 WeakPolarHBondContact O-CB 3.32Å; Y113-L117 PolarHBondContact O-N 3.49Å; M115-L117 PolarHBondContact O-N 3.3Å; L117-A120 WeakPolarHBondContact O-CB 3.31Å; L117-A120 PolarHBondContact O-N 3.21Å; L117-L121 PolarHBondContact O-N 3.49Å; L117-L121 VanDerWaalsContact O-N 3.09Å |
| 118 | S | 97.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 173.2 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | I114 M115 F116 A120 L121 F122 H186 | I114-S118 VanDerWaalsContact O-CB 3.26Å; I114-S118 WeakPolarHBondContact O-CB 3.4Å; I114-S118 PolarHBondContact O-N 3.44Å; I114-S118 PolarHBondContact O-OG 2.78Å; M115-S118 WeakPolarHBondContact O-CA 3.35Å; M115-S118 WeakPolarHBondContact O-CB 3.33Å; M115-S118 PolarHBondContact O-N 3.02Å; M115-S118 VanDerWaalsContact O-N 3.08Å; F116-S118 VanDerWaalsContact C-N 3.34Å; S118-A120 VanDerWaalsContact C-N 3.32Å; S118-A120 PolarHBondContact O-N 3.45Å; S118-L121 WeakPolarHBondContact O-CB 3.05Å; S118-L121 PolarHBondContact O-N 3.23Å; S118-F122 WeakPolarHBondContact O-CB 3.35Å; S118-F122 WeakPolarHBondContact O-CD2 3.37Å; S118-F122 WeakPolarHBondContact O-CG 3.41Å; S118-F122 PolarHBondContact O-N 3.11Å; S118-H186 WeakPolarHBondContact CB-NE2 3.43Å; S118-H186 PolarHBondContact OG-NE2 2.86Å |
| 119 | F | 97.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 9% | 0.092 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -32.9 | 175 | -88.3 | -97.7 | 0 | 0 | 0 | 112.6 | L66 F99 M115 F116 F122 T123 V159 Q163 | L66-F119 HydrophobicContact CD1-CD1 4.02Å; L66-F119 HydrophobicContact CD1-CE1 3.79Å; L66-F119 HydrophobicContact CD2-CD1 3.96Å; L66-F119 HydrophobicContact CD2-CE1 4.49Å; L66-F119 HydrophobicContact CG-CD1 4.32Å; F99-F119 HydrophobicContact CD1-CB 4.31Å; F99-F119 HydrophobicContact CE1-CB 3.75Å; F99-F119 HydrophobicContact CZ-CB 4Å; M115-F119 HydrophobicContact CE-CD2 4.44Å; M115-F119 HydrophobicContact CG-CD2 3.82Å; M115-F119 HydrophobicContact CG-CE2 3.75Å; M115-F119 WeakPolarHBondContact O-CD2 3.47Å; M115-F119 PolarHBondContact O-N 2.76Å; M115-F119 HydrophobicContact SD-CD2 4.24Å; M115-F119 HydrophobicContact SD-CE2 3.95Å; F116-F119 PolarHBondContact O-N 3.44Å; F119-F122 PolarHBondContact O-N 3.5Å; F119-T123 WeakPolarHBondContact O-CB 3.34Å; F119-T123 PolarHBondContact O-N 3.04Å; F119-T123 PolarHBondContact O-OG1 3.09Å; F119-V159 HydrophobicContact CE1-CG2 4.44Å; F119-Q163 HydrophobicContact CE2-CB 4.19Å; F119-Q163 HydrophobicContact CZ-CB 4.24Å |
| 120 | A | 96.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F99 F116 L117 S118 T123 M124 | F99-A120 HydrophobicContact CB-CB 3.95Å; F99-A120 HydrophobicContact CD2-CB 3.42Å; F99-A120 VanDerWaalsContact CD2-CB 3.42Å; F99-A120 HydrophobicContact CE2-CB 4.14Å; F99-A120 HydrophobicContact CG-CB 3.89Å; F116-A120 PolarHBondContact O-N 2.84Å; L117-A120 WeakPolarHBondContact O-CB 3.31Å; L117-A120 PolarHBondContact O-N 3.21Å; S118-A120 VanDerWaalsContact C-N 3.32Å; S118-A120 PolarHBondContact O-N 3.45Å; A120-T123 PolarHBondContact O-N 3.5Å; A120-M124 VanDerWaalsContact O-CG 3.31Å; A120-M124 WeakPolarHBondContact O-CG 3.41Å; A120-M124 PolarHBondContact O-N 3Å |
| 121 | L | 97.2 | Very high | 96.1 | Very high | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.209 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.7 | -50.1 | 176 | 177.3 | 67.8 | 0 | 0 | 0 | 111.6 | L117 S118 T123 M124 T125 A189 V190 L193 | L117-L121 PolarHBondContact O-N 3.49Å; L117-L121 VanDerWaalsContact O-N 3.09Å; S118-L121 WeakPolarHBondContact O-CB 3.05Å; S118-L121 PolarHBondContact O-N 3.23Å; L121-T123 VanDerWaalsContact C-N 3.35Å; L121-T123 PolarHBondContact O-N 3.45Å; L121-M124 PolarHBondContact O-N 3.28Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 3.06Å; L121-T125 PolarHBondContact O-OG1 2.8Å; L121-A189 HydrophobicContact CD1-CB 4.41Å; L121-A189 HydrophobicContact CD2-CB 4Å; L121-A189 HydrophobicContact CG-CB 3.89Å; L121-V190 HydrophobicContact CD1-CG2 4.24Å; L121-V190 HydrophobicContact CD2-CG2 4.12Å; L121-L193 HydrophobicContact CD1-CD1 3.44Å; L121-L193 VanDerWaalsContact CD1-CD1 3.44Å |
| 122 | F | 97.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -34.4 | -178.5 | -60.6 | -26.8 | 0 | 0 | 0 | 112.7 | L66 S118 F119 T125 S126 I158 Y161 P185 H186 A189 | L66-F122 HydrophobicContact CD2-CB 3.52Å; S118-F122 WeakPolarHBondContact O-CB 3.35Å; S118-F122 WeakPolarHBondContact O-CD2 3.37Å; S118-F122 WeakPolarHBondContact O-CG 3.41Å; S118-F122 PolarHBondContact O-N 3.11Å; F119-F122 PolarHBondContact O-N 3.5Å; F122-T125 PolarHBondContact O-N 3.19Å; F122-S126 WeakPolarHBondContact O-CB 3.36Å; F122-S126 PolarHBondContact O-N 2.88Å; F122-I158 HydrophobicContact CB-CG2 3.99Å; F122-I158 HydrophobicContact CD2-CG2 3.54Å; F122-I158 HydrophobicContact CE2-CG2 4.18Å; F122-I158 HydrophobicContact CG-CG2 3.8Å; F122-Y161 HydrophobicContact CE2-CD1 4.09Å; F122-Y161 HydrophobicContact CE2-CE1 4.18Å; F122-Y161 HydrophobicContact CZ-CD1 4.17Å; F122-Y161 AromaticContact CZ-CE1 3.88Å; F122-Y161 HydrophobicContact CZ-CE1 3.88Å; F122-P185 HydrophobicContact CE1-CB 4.27Å; F122-P185 WeakPolarHBondContact CE1-O 3.47Å; F122-P185 HydrophobicContact CZ-CB 4.03Å; F122-H186 AromaticContact CZ-CE1 3.76Å; F122-H186 AromaticContact CZ-ND1 3.87Å; F122-H186 AromaticContact CZ-NE2 3.85Å; F122-A189 HydrophobicContact CD1-CB 3.76Å; F122-A189 HydrophobicContact CE1-CB 3.88Å |
| 123 | T | 96.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71 | -42.3 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | L66 I70 F99 F119 A120 L121 T125 S126 R127 | L66-T123 WeakPolarHBondContact CD2-OG1 3.3Å; I70-T123 HydrophobicContact CD1-CG2 4.07Å; I70-T123 WeakPolarHBondContact CD1-OG1 3.43Å; F99-T123 WeakPolarHBondContact CZ-OG1 3.1Å; F119-T123 WeakPolarHBondContact O-CB 3.34Å; F119-T123 PolarHBondContact O-N 3.04Å; F119-T123 PolarHBondContact O-OG1 3.09Å; A120-T123 PolarHBondContact O-N 3.5Å; L121-T123 VanDerWaalsContact C-N 3.35Å; L121-T123 PolarHBondContact O-N 3.45Å; T123-T125 VanDerWaalsContact C-N 3.33Å; T123-T125 PolarHBondContact O-N 3.01Å; T123-S126 PolarHBondContact O-N 3.16Å; T123-R127 VanDerWaalsContact CG2-NH1 3.28Å; T123-R127 WeakPolarHBondContact O-CG 3.37Å; T123-R127 PolarHBondContact O-N 3.32Å |
| 124 | M | 95.2 | Very high | 94.5 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 174.2 | -71 | 177.8 | 70.7 | 0 | 0 | 111 | T95 I96 A120 L121 L128 L193 | T95-M124 HydrophobicContact CG2-CG 4.18Å; I96-M124 HydrophobicContact CD1-SD 4Å; I96-M124 HydrophobicContact CG1-SD 3.9Å; A120-M124 VanDerWaalsContact O-CG 3.31Å; A120-M124 WeakPolarHBondContact O-CG 3.41Å; A120-M124 PolarHBondContact O-N 3Å; L121-M124 PolarHBondContact O-N 3.28Å; M124-L128 WeakPolarHBondContact O-CB 3.47Å; M124-L128 PolarHBondContact O-N 2.79Å; M124-L128 VanDerWaalsContact O-N 3.11Å; M124-L193 HydrophobicContact CB-CD2 4.47Å |
| 125 | T | 96.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 177.8 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | L121 F122 T123 R127 L128 W129 A189 I192 L193 | L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 3.06Å; L121-T125 PolarHBondContact O-OG1 2.8Å; F122-T125 PolarHBondContact O-N 3.19Å; T123-T125 VanDerWaalsContact C-N 3.33Å; T123-T125 PolarHBondContact O-N 3.01Å; T125-R127 PolarHBondContact O-N 3.34Å; T125-L128 WeakPolarHBondContact O-CB 3.29Å; T125-L128 PolarHBondContact O-N 3.33Å; T125-W129 WeakPolarHBondContact O-CB 2.97Å; T125-W129 PolarHBondContact O-N 2.65Å; T125-A189 HydrophobicContact CG2-CB 4.14Å; T125-I192 HydrophobicContact CG2-CB 3.95Å; T125-I192 HydrophobicContact CG2-CD1 3.92Å; T125-I192 HydrophobicContact CG2-CG2 3.87Å; T125-L193 WeakPolarHBondContact OG1-CD1 3.49Å |
| 126 | S | 96 | Very high | 93.2 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | -178.6 | -179 | 0 | 0 | 0 | 0 | 111.9 | L66 F122 T123 L128 W129 H130 | L66-S126 PolarHBondContact N-OG 2.7Å; F122-S126 WeakPolarHBondContact O-CB 3.36Å; F122-S126 PolarHBondContact O-N 2.88Å; T123-S126 PolarHBondContact O-N 3.16Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 2.95Å; S126-W129 PolarHBondContact O-N 2.98Å; S126-H130 VanDerWaalsContact O-CB 3.27Å; S126-H130 WeakPolarHBondContact O-CB 3.24Å; S126-H130 PolarHBondContact O-N 3.44Å |
| 127 | R | 94.2 | Very high | 92.5 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 29% | 0.287 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 175.3 | -72.1 | -174.3 | -54.6 | -125.2 | 8.9 | 112 | T95 T123 T125 R131 | T95-R127 PolarHBondContact OG1-NH1 2.76Å; T95-R127 VanDerWaalsContact OG1-NH1 3.16Å; T95-R127 PolarHBondContact OG1-NH2 3.23Å; T123-R127 VanDerWaalsContact CG2-NH1 3.28Å; T123-R127 WeakPolarHBondContact O-CG 3.37Å; T123-R127 PolarHBondContact O-N 3.32Å; T125-R127 PolarHBondContact O-N 3.34Å; R127-R131 WeakPolarHBondContact O-CB 3.29Å; R127-R131 PolarHBondContact O-N 2.88Å |
| 128 | L | 93 | Very high | 91.8 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -50.9 | 178.2 | 179.5 | 70.7 | 0 | 0 | 0 | 111 | M124 T125 S126 H130 R131 H132 I192 L193 Y196 | M124-L128 WeakPolarHBondContact O-CB 3.47Å; M124-L128 PolarHBondContact O-N 2.79Å; M124-L128 VanDerWaalsContact O-N 3.11Å; T125-L128 WeakPolarHBondContact O-CB 3.29Å; T125-L128 PolarHBondContact O-N 3.33Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 2.95Å; L128-H130 PolarHBondContact O-N 3.27Å; L128-R131 PolarHBondContact O-N 2.96Å; L128-H132 VanDerWaalsContact CD1-CD2 3.42Å; L128-H132 WeakPolarHBondContact CD1-CD2 3.32Å; L128-H132 PolarHBondContact O-CD2 3.02Å; L128-H132 VanDerWaalsContact O-CD2 3.28Å; L128-H132 PolarHBondContact O-N 3.15Å; L128-H132 VanDerWaalsContact O-N 3.09Å; L128-I192 HydrophobicContact CD2-CG2 4.11Å; L128-L193 HydrophobicContact CD2-CD2 3.93Å; L128-Y196 HydrophobicContact CD1-CD1 3.63Å; L128-Y196 HydrophobicContact CD1-CD2 3.5Å; L128-Y196 HydrophobicContact CD1-CE1 3.64Å; L128-Y196 HydrophobicContact CD1-CE2 3.53Å; L128-Y196 HydrophobicContact CD1-CG 3.53Å; L128-Y196 VanDerWaalsContact CD2-CB 3.46Å; L128-Y196 HydrophobicContact CD2-CD1 3.85Å; L128-Y196 HydrophobicContact CD2-CD2 4.24Å; L128-Y196 HydrophobicContact CD2-CG 3.58Å; L128-Y196 HydrophobicContact CG-CD1 4.39Å; L128-Y196 HydrophobicContact CG-CD2 4.34Å; L128-Y196 HydrophobicContact CG-CG 4.12Å |
| 129 | W | 93.2 | Very high | 91.1 | Very high | 97 Ų | 97 | 73.4 Ų | 73.4 | 37% | 0.367 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55 | -51.1 | 175.6 | 178.3 | -91.2 | 0 | 0 | 0 | 111.2 | T125 S126 R131 H132 C133 Y147 I192 | T125-W129 WeakPolarHBondContact O-CB 2.97Å; T125-W129 PolarHBondContact O-N 2.65Å; S126-W129 PolarHBondContact O-N 2.98Å; W129-R131 VanDerWaalsContact C-N 3.29Å; W129-R131 PolarHBondContact O-N 3.16Å; W129-H132 PolarHBondContact O-N 3.09Å; W129-C133 HydrophobicContact CD2-CB 4.09Å; W129-C133 HydrophobicContact CG-CB 4.39Å; W129-C133 HydrophobicContact CZ2-CB 4.12Å; W129-C133 VanDerWaalsContact O-CB 3.23Å; W129-C133 WeakPolarHBondContact O-CB 3.3Å; W129-C133 PolarHBondContact O-N 3.46Å; W129-Y147 AromaticContact NE1-CE2 3.98Å; W129-I192 HydrophobicContact CE3-CD1 4.2Å |
| 130 | H | 91.4 | Very high | 90.7 | Very high | 42 Ų | 42 | 76.7 Ų | 76.7 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | -179.2 | -169.4 | 95 | 0 | 0 | 0 | 112.3 | S126 L128 R134 | S126-H130 VanDerWaalsContact O-CB 3.27Å; S126-H130 WeakPolarHBondContact O-CB 3.24Å; S126-H130 PolarHBondContact O-N 3.44Å; L128-H130 PolarHBondContact O-N 3.27Å; H130-R134 WeakPolarHBondContact CE1-CD 3.39Å; H130-R134 WeakPolarHBondContact NE2-CD 3.34Å; H130-R134 WeakPolarHBondContact O-CB 3.37Å; H130-R134 PolarHBondContact O-N 3.41Å |
| 131 | R | 89.4 | Confident | 90.4 | Very high | 162 Ų | 162 | 85.3 Ų | 85.3 | 61% | 0.611 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 178.9 | -172.1 | -178.1 | -63.6 | 156.5 | -2 | 112.5 | R127 L128 W129 | R127-R131 WeakPolarHBondContact O-CB 3.29Å; R127-R131 PolarHBondContact O-N 2.88Å; L128-R131 PolarHBondContact O-N 2.96Å; W129-R131 VanDerWaalsContact C-N 3.29Å; W129-R131 PolarHBondContact O-N 3.16Å |
| 132 | H | 88.3 | Confident | 90.1 | Very high | 59 Ų | 59 | 89.1 Ų | 89.1 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -93.5 | -33.4 | -173 | -70.8 | -66.7 | 0 | 0 | 0 | 114.1 | L128 W129 Q135 Y136 Y196 | L128-H132 VanDerWaalsContact CD1-CD2 3.42Å; L128-H132 WeakPolarHBondContact CD1-CD2 3.32Å; L128-H132 PolarHBondContact O-CD2 3.02Å; L128-H132 VanDerWaalsContact O-CD2 3.28Å; L128-H132 PolarHBondContact O-N 3.15Å; L128-H132 VanDerWaalsContact O-N 3.09Å; W129-H132 PolarHBondContact O-N 3.09Å; H132-Q135 VanDerWaalsContact O-CG 3.24Å; H132-Q135 WeakPolarHBondContact O-CG 3.31Å; H132-Q135 PolarHBondContact O-NE2 3.15Å; H132-Y136 VanDerWaalsContact O-CD2 3.24Å; H132-Y136 WeakPolarHBondContact O-CD2 3.49Å; H132-Y136 WeakPolarHBondContact O-CE2 3.23Å; H132-Y196 AromaticContact CE1-CE2 3.95Å; H132-Y196 AromaticContact NE2-CD2 3.93Å; H132-Y196 AromaticContact NE2-CE2 3.27Å; H132-Y196 VanDerWaalsContact NE2-CE2 3.27Å; H132-Y196 WeakPolarHBondContact NE2-CE2 3.47Å |
| 133 | C | 87.9 | Confident | 89.8 | Confident | 23 Ų | 23 | 90.6 Ų | 90.6 | 16% | 0.155 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -88.6 | -40.3 | -174.8 | -63 | 0 | 0 | 0 | 0 | 111.9 | W129 Q135 Y136 F137 Y147 | W129-C133 HydrophobicContact CD2-CB 4.09Å; W129-C133 HydrophobicContact CG-CB 4.39Å; W129-C133 HydrophobicContact CZ2-CB 4.12Å; W129-C133 VanDerWaalsContact O-CB 3.23Å; W129-C133 WeakPolarHBondContact O-CB 3.3Å; W129-C133 PolarHBondContact O-N 3.46Å; C133-Q135 PolarHBondContact O-N 3.48Å; C133-Q135 VanDerWaalsContact O-N 3.13Å; C133-Y136 PolarHBondContact O-N 3.25Å; C133-F137 VanDerWaalsContact O-CD2 3.3Å; C133-F137 WeakPolarHBondContact O-CD2 3.33Å; C133-Y147 HydrophobicContact CB-CE2 4.34Å |
| 134 | R | 85.2 | Confident | 89.6 | Confident | 118 Ų | 118 | 91.9 Ų | 91.9 | 45% | 0.445 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.7 | -33.3 | -173.4 | -174.5 | 170 | 178 | -128.3 | -2 | 113.7 | H130 Y136 F137 R138 Y147 | H130-R134 WeakPolarHBondContact CE1-CD 3.39Å; H130-R134 WeakPolarHBondContact NE2-CD 3.34Å; H130-R134 WeakPolarHBondContact O-CB 3.37Å; H130-R134 PolarHBondContact O-N 3.41Å; R134-Y136 PolarHBondContact O-N 3.46Å; R134-F137 PolarHBondContact O-N 2.89Å; R134-R138 PolarHBondContact O-N 3.04Å; R134-Y147 HydrophobicContact CB-CE1 4.03Å; R134-Y147 HydrophobicContact CG-CE1 3.95Å |
| 135 | Q | 84.7 | Confident | 89.5 | Confident | 111 Ų | 111 | 93.2 Ų | 93.2 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.6 | -32.9 | 178.3 | 59.3 | -178.6 | -7.6 | 0 | 0 | 112.9 | H132 C133 F137 | H132-Q135 VanDerWaalsContact O-CG 3.24Å; H132-Q135 WeakPolarHBondContact O-CG 3.31Å; H132-Q135 PolarHBondContact O-NE2 3.15Å; C133-Q135 PolarHBondContact O-N 3.48Å; C133-Q135 VanDerWaalsContact O-N 3.13Å; Q135-F137 VanDerWaalsContact C-N 3.33Å; Q135-F137 PolarHBondContact O-N 2.91Å |
| 136 | Y | 83.5 | Confident | 89.4 | Confident | 167 Ų | 167 | 97.8 Ų | 97.8 | 66% | 0.655 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -73.9 | -24.4 | -178.6 | -61 | -68.5 | 0 | 0 | 0 | 113.1 | H132 C133 R134 | H132-Y136 VanDerWaalsContact O-CD2 3.24Å; H132-Y136 WeakPolarHBondContact O-CD2 3.49Å; H132-Y136 WeakPolarHBondContact O-CE2 3.23Å; C133-Y136 PolarHBondContact O-N 3.25Å; R134-Y136 PolarHBondContact O-N 3.46Å |
| 137 | F | 84 | Confident | 89.2 | Confident | 82 Ų | 82 | 97.1 Ų | 97.1 | 36% | 0.36 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -97.4 | -3.8 | -177.1 | -62.3 | -88.2 | 0 | 0 | 0 | 113.4 | C133 R134 Q135 R139 S143 S144 Y147 | C133-F137 VanDerWaalsContact O-CD2 3.3Å; C133-F137 WeakPolarHBondContact O-CD2 3.33Å; R134-F137 PolarHBondContact O-N 2.89Å; Q135-F137 VanDerWaalsContact C-N 3.33Å; Q135-F137 PolarHBondContact O-N 2.91Å; F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 3.27Å; F137-S143 WeakPolarHBondContact CD1-OG 3.29Å; F137-S144 WeakPolarHBondContact O-CA 3.27Å; F137-S144 WeakPolarHBondContact O-CB 3.24Å; F137-S144 PolarHBondContact O-N 2.85Å; F137-Y147 HydrophobicContact CB-CD2 4.24Å; F137-Y147 HydrophobicContact CB-CG 4Å; F137-Y147 HydrophobicContact CD1-CD2 4.32Å; F137-Y147 AromaticContact CD2-CD2 3.4Å; F137-Y147 HydrophobicContact CD2-CD2 3.4Å; F137-Y147 VanDerWaalsContact CD2-CD2 3.4Å; F137-Y147 AromaticContact CD2-CE2 3.87Å; F137-Y147 HydrophobicContact CD2-CE2 3.87Å; F137-Y147 HydrophobicContact CD2-CG 4.05Å; F137-Y147 AromaticContact CE2-CD2 3.79Å; F137-Y147 HydrophobicContact CE2-CD2 3.79Å; F137-Y147 HydrophobicContact CE2-CE2 4.15Å; F137-Y147 AromaticContact CG-CD2 3.73Å; F137-Y147 HydrophobicContact CG-CD2 3.73Å; F137-Y147 AromaticContact CG-CG 3.95Å; F137-Y147 HydrophobicContact CG-CG 3.95Å; F137-Y147 HydrophobicContact CZ-CD2 4.41Å |
| 138 | R | 82.2 | Confident | 89.2 | Confident | 201 Ų | 201 | 94.7 Ų | 94.7 | 76% | 0.758 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -74.3 | -19.6 | -175.2 | -167.1 | 173.9 | 178.1 | 175.3 | -1 | 113.9 | R134 N140 | R134-R138 PolarHBondContact O-N 3.04Å; R138-N140 PolarHBondContact O-N 3.13Å |
| 139 | R | 83.5 | Confident | 89.3 | Confident | 224 Ų | 224 | 97.4 Ų | 97.4 | 85% | 0.845 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -69.1 | -35 | -171 | -166.9 | 173.1 | 70.5 | 173.3 | 0.3 | 113.7 | F137 | F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 3.27Å |
| 140 | N | 88.4 | Confident | 89.4 | Confident | 89 Ų | 89 | 98 Ų | 98 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -119.1 | 133.9 | -176.5 | -60.5 | 10.4 | 0 | 0 | 0 | 109.5 | R138 L142 S143 S144 | R138-N140 PolarHBondContact O-N 3.13Å; N140-L142 PolarHBondContact O-N 3.43Å; N140-S143 WeakPolarHBondContact O-CB 3.47Å; N140-S143 PolarHBondContact O-N 3.34Å; N140-S144 PolarHBondContact O-N 2.98Å |
| 141 | Y | 90.2 | Very high | 89.6 | Confident | 184 Ų | 184 | 96.4 Ų | 96.4 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -56.1 | -50.4 | -178.8 | 178.3 | -97.8 | 0 | 0 | 0 | 112.4 | S143 S144 Q145 | Y141-S143 VanDerWaalsContact C-N 3.33Å; Y141-S143 PolarHBondContact O-N 3.33Å; Y141-S144 WeakPolarHBondContact O-CB 3.35Å; Y141-S144 PolarHBondContact O-N 2.97Å; Y141-Q145 HydrophobicContact CD1-CG 4.17Å; Y141-Q145 HydrophobicContact CE1-CG 3.73Å; Y141-Q145 HydrophobicContact CE2-CG 4.18Å; Y141-Q145 WeakPolarHBondContact O-CG 3.24Å; Y141-Q145 PolarHBondContact O-N 3.37Å |
| 142 | L | 92.3 | Very high | 89.9 | Confident | 120 Ų | 120 | 91.3 Ų | 91.3 | 63% | 0.628 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.6 | -42.6 | 178.5 | -176.9 | 64.3 | 0 | 0 | 0 | 112 | N140 S144 Q145 L146 | N140-L142 PolarHBondContact O-N 3.43Å; L142-S144 VanDerWaalsContact C-N 3.34Å; L142-S144 PolarHBondContact O-N 3.31Å; L142-Q145 PolarHBondContact O-N 2.88Å; L142-L146 HydrophobicContact CD1-CD1 4.4Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.07Å; L142-L146 HydrophobicContact CG-CG 4.41Å; L142-L146 WeakPolarHBondContact O-CB 3.28Å; L142-L146 VanDerWaalsContact O-CG 3.32Å; L142-L146 WeakPolarHBondContact O-CG 3.27Å; L142-L146 PolarHBondContact O-N 3.46Å |
| 143 | S | 91 | Very high | 90.3 | Very high | 37 Ų | 37 | 92.7 Ų | 92.7 | 26% | 0.259 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | F137 N140 Y141 Y147 | F137-S143 WeakPolarHBondContact CD1-OG 3.29Å; N140-S143 WeakPolarHBondContact O-CB 3.47Å; N140-S143 PolarHBondContact O-N 3.34Å; Y141-S143 VanDerWaalsContact C-N 3.33Å; Y141-S143 PolarHBondContact O-N 3.33Å; S143-Y147 VanDerWaalsContact O-CB 3.3Å; S143-Y147 WeakPolarHBondContact O-CB 3.4Å; S143-Y147 PolarHBondContact O-N 3.26Å |
| 144 | S | 91.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 94.7 Ų | 94.7 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 176 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | F137 N140 Y141 L142 S148 | F137-S144 WeakPolarHBondContact O-CA 3.27Å; F137-S144 WeakPolarHBondContact O-CB 3.24Å; F137-S144 PolarHBondContact O-N 2.85Å; N140-S144 PolarHBondContact O-N 2.98Å; Y141-S144 WeakPolarHBondContact O-CB 3.35Å; Y141-S144 PolarHBondContact O-N 2.97Å; L142-S144 VanDerWaalsContact C-N 3.34Å; L142-S144 PolarHBondContact O-N 3.31Å; S144-S148 WeakPolarHBondContact O-CB 3.34Å; S144-S148 PolarHBondContact O-N 2.99Å; S144-S148 PolarHBondContact O-OG 3.03Å |
| 145 | Q | 93.2 | Very high | 91.2 | Very high | 82 Ų | 82 | 89.5 Ų | 89.5 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.2 | -48.2 | 176.3 | -69.1 | -58.3 | -34.2 | 0 | 0 | 111.6 | Y141 L142 Y147 S148 V149 | Y141-Q145 HydrophobicContact CD1-CG 4.17Å; Y141-Q145 HydrophobicContact CE1-CG 3.73Å; Y141-Q145 HydrophobicContact CE2-CG 4.18Å; Y141-Q145 WeakPolarHBondContact O-CG 3.24Å; Y141-Q145 PolarHBondContact O-N 3.37Å; L142-Q145 PolarHBondContact O-N 2.88Å; Q145-Y147 VanDerWaalsContact C-N 3.31Å; Q145-Y147 PolarHBondContact O-N 2.92Å; Q145-S148 WeakPolarHBondContact O-CA 3.44Å; Q145-S148 WeakPolarHBondContact O-CB 3.42Å; Q145-S148 PolarHBondContact O-N 3.46Å; Q145-V149 PolarHBondContact O-N 3.3Å |
| 146 | L | 93.5 | Very high | 91.8 | Very high | 108 Ų | 108 | 85.9 Ų | 85.9 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 176.8 | -70.8 | 175 | 0 | 0 | 0 | 111.7 | L142 S148 V149 F150 | L142-L146 HydrophobicContact CD1-CD1 4.4Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.07Å; L142-L146 HydrophobicContact CG-CG 4.41Å; L142-L146 WeakPolarHBondContact O-CB 3.28Å; L142-L146 VanDerWaalsContact O-CG 3.32Å; L142-L146 WeakPolarHBondContact O-CG 3.27Å; L142-L146 PolarHBondContact O-N 3.46Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.36Å; L146-V149 PolarHBondContact O-N 3.46Å; L146-F150 VanDerWaalsContact O-CB 3.3Å; L146-F150 WeakPolarHBondContact O-CB 3.31Å; L146-F150 PolarHBondContact O-N 2.87Å |
| 147 | Y | 93.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 81 Ų | 81 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 173.2 | 173.9 | -92.9 | 0 | 0 | 0 | 112.2 | W129 C133 R134 F137 S143 Q145 F150 T151 | W129-Y147 AromaticContact NE1-CE2 3.98Å; C133-Y147 HydrophobicContact CB-CE2 4.34Å; R134-Y147 HydrophobicContact CB-CE1 4.03Å; R134-Y147 HydrophobicContact CG-CE1 3.95Å; F137-Y147 HydrophobicContact CB-CD2 4.24Å; F137-Y147 HydrophobicContact CB-CG 4Å; F137-Y147 HydrophobicContact CD1-CD2 4.32Å; F137-Y147 AromaticContact CD2-CD2 3.4Å; F137-Y147 HydrophobicContact CD2-CD2 3.4Å; F137-Y147 VanDerWaalsContact CD2-CD2 3.4Å; F137-Y147 AromaticContact CD2-CE2 3.87Å; F137-Y147 HydrophobicContact CD2-CE2 3.87Å; F137-Y147 HydrophobicContact CD2-CG 4.05Å; F137-Y147 AromaticContact CE2-CD2 3.79Å; F137-Y147 HydrophobicContact CE2-CD2 3.79Å; F137-Y147 HydrophobicContact CE2-CE2 4.15Å; F137-Y147 AromaticContact CG-CD2 3.73Å; F137-Y147 HydrophobicContact CG-CD2 3.73Å; F137-Y147 AromaticContact CG-CG 3.95Å; F137-Y147 HydrophobicContact CG-CG 3.95Å; F137-Y147 HydrophobicContact CZ-CD2 4.41Å; S143-Y147 VanDerWaalsContact O-CB 3.3Å; S143-Y147 WeakPolarHBondContact O-CB 3.4Å; S143-Y147 PolarHBondContact O-N 3.26Å; Q145-Y147 VanDerWaalsContact C-N 3.31Å; Q145-Y147 PolarHBondContact O-N 2.92Å; Y147-F150 PolarHBondContact O-N 3.47Å; Y147-T151 HydrophobicContact CD1-CG2 4.41Å; Y147-T151 HydrophobicContact CD2-CG2 4.21Å; Y147-T151 HydrophobicContact CE1-CG2 3.94Å; Y147-T151 HydrophobicContact CE2-CG2 3.73Å; Y147-T151 WeakPolarHBondContact O-CB 3.44Å; Y147-T151 WeakPolarHBondContact O-CG2 3.24Å; Y147-T151 PolarHBondContact O-N 3.47Å; Y147-T151 PolarHBondContact O-OG1 2.89Å |
| 148 | S | 93.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 79.3 Ų | 79.3 | 18% | 0.175 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | S144 Q145 L146 T151 M152 | S144-S148 WeakPolarHBondContact O-CB 3.34Å; S144-S148 PolarHBondContact O-N 2.99Å; S144-S148 PolarHBondContact O-OG 3.03Å; Q145-S148 WeakPolarHBondContact O-CA 3.44Å; Q145-S148 WeakPolarHBondContact O-CB 3.42Å; Q145-S148 PolarHBondContact O-N 3.46Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.36Å; S148-T151 PolarHBondContact O-OG1 3Å; S148-M152 WeakPolarHBondContact O-CB 3.42Å; S148-M152 PolarHBondContact O-N 3.09Å |
| 149 | V | 95.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 174.9 | 175 | 0 | 0 | 0 | 0 | 111.1 | Q145 L146 M152 I153 | Q145-V149 PolarHBondContact O-N 3.3Å; L146-V149 PolarHBondContact O-N 3.46Å; V149-M152 HydrophobicContact CG1-CE 4.44Å; V149-M152 WeakPolarHBondContact O-CB 3.49Å; V149-M152 PolarHBondContact O-N 3.43Å; V149-I153 HydrophobicContact CG1-CD1 3.96Å; V149-I153 WeakPolarHBondContact O-CG1 3.16Å; V149-I153 PolarHBondContact O-N 3.29Å |
| 150 | F | 94.9 | Very high | 94.4 | Very high | 110 Ų | 110 | 59.6 Ų | 59.6 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -52 | 177.7 | 172.3 | -101.8 | 0 | 0 | 0 | 111.7 | L146 Y147 M152 I153 I154 | L146-F150 VanDerWaalsContact O-CB 3.3Å; L146-F150 WeakPolarHBondContact O-CB 3.31Å; L146-F150 PolarHBondContact O-N 2.87Å; Y147-F150 PolarHBondContact O-N 3.47Å; F150-M152 VanDerWaalsContact C-N 3.32Å; F150-M152 PolarHBondContact O-N 3.29Å; F150-I153 PolarHBondContact O-N 2.79Å; F150-I154 HydrophobicContact CD1-CG1 4.46Å; F150-I154 HydrophobicContact CD2-CG1 4.31Å; F150-I154 HydrophobicContact CE1-CG1 4.07Å; F150-I154 HydrophobicContact CE2-CD1 4.17Å; F150-I154 HydrophobicContact CE2-CG1 3.91Å; F150-I154 HydrophobicContact CZ-CD1 4.22Å; F150-I154 HydrophobicContact CZ-CG1 3.77Å; F150-I154 WeakPolarHBondContact O-CG1 3.41Å; F150-I154 PolarHBondContact O-N 3.25Å |
| 151 | T | 95.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -30.1 | -179.1 | 48.3 | 0 | 0 | 0 | 0 | 113.2 | I64 Y147 S148 T155 | I64-T151 VanDerWaalsContact CG2-OG1 3.25Å; I64-T151 WeakPolarHBondContact CG2-OG1 3.33Å; I64-T151 WeakPolarHBondContact O-CB 3.48Å; Y147-T151 HydrophobicContact CD1-CG2 4.41Å; Y147-T151 HydrophobicContact CD2-CG2 4.21Å; Y147-T151 HydrophobicContact CE1-CG2 3.94Å; Y147-T151 HydrophobicContact CE2-CG2 3.73Å; Y147-T151 WeakPolarHBondContact O-CB 3.44Å; Y147-T151 WeakPolarHBondContact O-CG2 3.24Å; Y147-T151 PolarHBondContact O-N 3.47Å; Y147-T151 PolarHBondContact O-OG1 2.89Å; S148-T151 PolarHBondContact O-OG1 3Å; T151-T155 WeakPolarHBondContact O-CB 3.45Å; T151-T155 PolarHBondContact O-N 2.76Å; T151-T155 PolarHBondContact O-OG1 3.41Å |
| 152 | M | 96.2 | Very high | 95.1 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 170 | 177.5 | -172.2 | 74.5 | 0 | 0 | 111.5 | T62 S148 V149 F150 I154 T155 N156 | T62-M152 HydrophobicContact CG2-SD 4.23Å; S148-M152 WeakPolarHBondContact O-CB 3.42Å; S148-M152 PolarHBondContact O-N 3.09Å; V149-M152 HydrophobicContact CG1-CE 4.44Å; V149-M152 WeakPolarHBondContact O-CB 3.49Å; V149-M152 PolarHBondContact O-N 3.43Å; F150-M152 VanDerWaalsContact C-N 3.32Å; F150-M152 PolarHBondContact O-N 3.29Å; M152-I154 PolarHBondContact O-N 3.22Å; M152-T155 PolarHBondContact O-N 3.17Å; M152-N156 WeakPolarHBondContact O-CB 3.48Å; M152-N156 PolarHBondContact O-N 2.84Å |
| 153 | I | 96.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 42 Ų | 42 | 45% | 0.446 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 178.4 | -67.3 | 166.8 | 0 | 0 | 0 | 110.4 | V149 F150 T155 N156 L157 | V149-I153 HydrophobicContact CG1-CD1 3.96Å; V149-I153 WeakPolarHBondContact O-CG1 3.16Å; V149-I153 PolarHBondContact O-N 3.29Å; F150-I153 PolarHBondContact O-N 2.79Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.95Å; I153-N156 PolarHBondContact O-N 3.34Å; I153-L157 HydrophobicContact CG2-CD1 4.13Å; I153-L157 WeakPolarHBondContact O-CG 3.44Å; I153-L157 PolarHBondContact O-N 2.87Å |
| 154 | I | 96 | Very high | 95.6 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 34% | 0.338 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 179 | -65.7 | -62 | 0 | 0 | 0 | 111.3 | F150 M152 L157 I158 | F150-I154 HydrophobicContact CD1-CG1 4.46Å; F150-I154 HydrophobicContact CD2-CG1 4.31Å; F150-I154 HydrophobicContact CE1-CG1 4.07Å; F150-I154 HydrophobicContact CE2-CD1 4.17Å; F150-I154 HydrophobicContact CE2-CG1 3.91Å; F150-I154 HydrophobicContact CZ-CD1 4.22Å; F150-I154 HydrophobicContact CZ-CG1 3.77Å; F150-I154 WeakPolarHBondContact O-CG1 3.41Å; F150-I154 PolarHBondContact O-N 3.25Å; M152-I154 PolarHBondContact O-N 3.22Å; I154-L157 PolarHBondContact O-N 3.4Å; I154-I158 HydrophobicContact CG2-CD1 3.67Å; I154-I158 HydrophobicContact CG2-CG1 4.35Å; I154-I158 WeakPolarHBondContact O-CB 3.49Å; I154-I158 VanDerWaalsContact O-CG1 3.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.46Å; I154-I158 PolarHBondContact O-N 3.37Å |
| 155 | T | 97.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 178.2 | -61 | 0 | 0 | 0 | 0 | 110.9 | G63 I64 V69 T151 M152 I153 L157 I158 V159 | G63-T155 VanDerWaalsContact O-CB 3.28Å; G63-T155 WeakPolarHBondContact O-CB 3.33Å; G63-T155 WeakPolarHBondContact O-CG2 3.36Å; I64-T155 PolarHBondContact O-OG1 2.93Å; V69-T155 HydrophobicContact CG2-CG2 3.65Å; T151-T155 WeakPolarHBondContact O-CB 3.45Å; T151-T155 PolarHBondContact O-N 2.76Å; T151-T155 PolarHBondContact O-OG1 3.41Å; M152-T155 PolarHBondContact O-N 3.17Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.95Å; T155-L157 PolarHBondContact O-N 3.19Å; T155-I158 PolarHBondContact O-N 3.48Å; T155-V159 HydrophobicContact CG2-CG2 4.28Å; T155-V159 WeakPolarHBondContact O-CB 3.3Å; T155-V159 VanDerWaalsContact O-CG2 3.24Å; T155-V159 WeakPolarHBondContact O-CG2 3.22Å; T155-V159 PolarHBondContact O-N 2.85Å |
| 156 | N | 96.7 | Very high | 96.1 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 177.6 | -166.8 | -78.7 | 0 | 0 | 0 | 111.4 | E61 M152 I153 I158 V159 N160 | E61-N156 PolarHBondContact O-ND2 3Å; E61-N156 VanDerWaalsContact O-ND2 3.15Å; E61-N156 PolarHBondContact OE2-ND2 3.28Å; M152-N156 WeakPolarHBondContact O-CB 3.48Å; M152-N156 PolarHBondContact O-N 2.84Å; I153-N156 PolarHBondContact O-N 3.34Å; N156-I158 PolarHBondContact O-N 3.04Å; N156-V159 PolarHBondContact O-N 3.4Å; N156-N160 VanDerWaalsContact O-CG 3.25Å; N156-N160 PolarHBondContact O-N 3.45Å; N156-N160 PolarHBondContact O-ND2 2.99Å; N156-N160 VanDerWaalsContact O-ND2 3.17Å; N156-N160 PolarHBondContact OD1-ND2 3.28Å |
| 157 | L | 96.5 | Very high | 96.3 | Very high | 64 Ų | 64 | 33.4 Ų | 33.4 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.7 | -69.1 | 176.8 | 0 | 0 | 0 | 112.7 | I5 I153 I154 T155 N160 Y161 | I5-L157 HydrophobicContact CG2-CD2 3.55Å; I153-L157 HydrophobicContact CG2-CD1 4.13Å; I153-L157 WeakPolarHBondContact O-CG 3.44Å; I153-L157 PolarHBondContact O-N 2.87Å; I154-L157 PolarHBondContact O-N 3.4Å; T155-L157 PolarHBondContact O-N 3.19Å; L157-N160 PolarHBondContact O-N 2.87Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.3Å; L157-Y161 PolarHBondContact O-N 2.93Å |
| 158 | I | 97.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.9 | -71.4 | 168.7 | 0 | 0 | 0 | 110.8 | F122 I154 T155 N156 G162 | F122-I158 HydrophobicContact CB-CG2 3.99Å; F122-I158 HydrophobicContact CD2-CG2 3.54Å; F122-I158 HydrophobicContact CE2-CG2 4.18Å; F122-I158 HydrophobicContact CG-CG2 3.8Å; I154-I158 HydrophobicContact CG2-CD1 3.67Å; I154-I158 HydrophobicContact CG2-CG1 4.35Å; I154-I158 WeakPolarHBondContact O-CB 3.49Å; I154-I158 VanDerWaalsContact O-CG1 3.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.46Å; I154-I158 PolarHBondContact O-N 3.37Å; T155-I158 PolarHBondContact O-N 3.48Å; N156-I158 PolarHBondContact O-N 3.04Å; I158-G162 WeakPolarHBondContact O-CA 3.45Å; I158-G162 PolarHBondContact O-N 3.27Å |
| 159 | V | 97.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 178.3 | 166.8 | 0 | 0 | 0 | 0 | 110.3 | L66 V69 F119 T155 N156 G162 Q163 | L66-V159 HydrophobicContact CD1-CG2 3.42Å; L66-V159 VanDerWaalsContact CD1-CG2 3.42Å; V69-V159 HydrophobicContact CB-CG2 4.46Å; V69-V159 HydrophobicContact CG1-CG2 4.01Å; V69-V159 HydrophobicContact CG2-CG2 4.39Å; F119-V159 HydrophobicContact CE1-CG2 4.44Å; T155-V159 HydrophobicContact CG2-CG2 4.28Å; T155-V159 WeakPolarHBondContact O-CB 3.3Å; T155-V159 VanDerWaalsContact O-CG2 3.24Å; T155-V159 WeakPolarHBondContact O-CG2 3.22Å; T155-V159 PolarHBondContact O-N 2.85Å; N156-V159 PolarHBondContact O-N 3.4Å; V159-G162 PolarHBondContact O-N 3.42Å; V159-Q163 VanDerWaalsContact C-NE2 3.26Å; V159-Q163 VanDerWaalsContact CG1-NE2 3.28Å; V159-Q163 WeakPolarHBondContact O-CB 3.5Å; V159-Q163 WeakPolarHBondContact O-CG 3.19Å; V159-Q163 PolarHBondContact O-N 2.83Å; V159-Q163 PolarHBondContact O-NE2 2.92Å |
| 160 | N | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -54.7 | 175.6 | -66.3 | -30.4 | 0 | 0 | 0 | 110.6 | V8 T9 L12 R16 N156 L157 G162 Q163 | V8-N160 HydrophobicContact CG1-CB 4.37Å; T9-N160 PolarHBondContact OG1-ND2 3.38Å; L12-N160 VanDerWaalsContact CD1-C 3.43Å; L12-N160 HydrophobicContact CD1-CB 3.94Å; L12-N160 WeakPolarHBondContact CD1-O 3.25Å; R16-N160 PolarHBondContact NH1-OD1 3.06Å; R16-N160 PolarHBondContact NH2-OD1 3.3Å; N156-N160 VanDerWaalsContact O-CG 3.25Å; N156-N160 PolarHBondContact O-N 3.45Å; N156-N160 PolarHBondContact O-ND2 2.99Å; N156-N160 VanDerWaalsContact O-ND2 3.17Å; N156-N160 PolarHBondContact OD1-ND2 3.28Å; L157-N160 PolarHBondContact O-N 2.87Å; N160-G162 VanDerWaalsContact C-N 3.32Å; N160-G162 PolarHBondContact O-N 3.39Å; N160-Q163 PolarHBondContact O-N 3.28Å |
| 161 | Y | 97.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.3 | -46.1 | 177.8 | 169.9 | -99.9 | 0 | 0 | 0 | 113 | F122 L157 F177 L178 F181 P185 H186 | F122-Y161 HydrophobicContact CE2-CD1 4.09Å; F122-Y161 HydrophobicContact CE2-CE1 4.18Å; F122-Y161 HydrophobicContact CZ-CD1 4.17Å; F122-Y161 AromaticContact CZ-CE1 3.88Å; F122-Y161 HydrophobicContact CZ-CE1 3.88Å; L157-Y161 VanDerWaalsContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CB 3.3Å; L157-Y161 PolarHBondContact O-N 2.93Å; Y161-F177 AromaticContact CD2-CE1 3.81Å; Y161-F177 HydrophobicContact CD2-CE1 3.81Å; Y161-F177 HydrophobicContact CD2-CZ 4.29Å; Y161-F177 HydrophobicContact CE2-CE1 4.06Å; Y161-F177 WeakPolarHBondContact O-CE1 3.17Å; Y161-L178 HydrophobicContact CE1-CD2 4.11Å; Y161-L178 HydrophobicContact CE2-CD2 3.76Å; Y161-L178 VanDerWaalsContact CZ-CD2 3.47Å; Y161-L178 WeakPolarHBondContact OH-CD2 3.46Å; Y161-F181 HydrophobicContact CD2-CB 4.13Å; Y161-F181 HydrophobicContact CD2-CD2 4.01Å; Y161-F181 HydrophobicContact CD2-CG 4.01Å; Y161-F181 HydrophobicContact CE2-CB 3.65Å; Y161-F181 HydrophobicContact CE2-CD2 4.06Å; Y161-F181 AromaticContact CE2-CG 3.99Å; Y161-F181 HydrophobicContact CE2-CG 3.99Å; Y161-P185 HydrophobicContact CD1-CB 3.71Å; Y161-P185 HydrophobicContact CD1-CG 3.58Å; Y161-P185 HydrophobicContact CD2-CG 4.22Å; Y161-P185 HydrophobicContact CE1-CB 3.62Å; Y161-P185 HydrophobicContact CE1-CG 3.6Å; Y161-P185 HydrophobicContact CE2-CG 4.27Å; Y161-P185 HydrophobicContact CG-CB 4.48Å; Y161-P185 HydrophobicContact CG-CG 3.87Å; Y161-H186 AromaticContact CE1-CE1 3.45Å; Y161-H186 VanDerWaalsContact CE1-CE1 3.45Å; Y161-H186 WeakPolarHBondContact CE1-CE1 3.44Å; Y161-H186 AromaticContact CE1-ND1 3.37Å; Y161-H186 WeakPolarHBondContact CE1-ND1 3.43Å; Y161-H186 AromaticContact CZ-CE1 3.76Å; Y161-H186 AromaticContact CZ-ND1 3.52Å; Y161-H186 PolarHBondContact OH-CE1 3.45Å; Y161-H186 VanDerWaalsContact OH-CE1 3.3Å; Y161-H186 PolarHBondContact OH-ND1 2.9Å |
| 162 | G | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.5 | -32.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M115 I158 V159 N160 P165 | M115-G162 WeakPolarHBondContact CG-O 3.16Å; I158-G162 WeakPolarHBondContact O-CA 3.45Å; I158-G162 PolarHBondContact O-N 3.27Å; V159-G162 PolarHBondContact O-N 3.42Å; N160-G162 VanDerWaalsContact C-N 3.32Å; N160-G162 PolarHBondContact O-N 3.39Å; G162-P165 WeakPolarHBondContact O-CD 3.19Å |
| 163 | Q | 96.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -82 | -19.1 | -176.1 | 81.7 | -165.7 | -101.1 | 0 | 0 | 113.3 | L12 M115 F119 V159 N160 P165 F166 | L12-Q163 HydrophobicContact CD1-CG 3.91Å; L12-Q163 HydrophobicContact CD2-CG 4Å; L12-Q163 HydrophobicContact CG-CG 4.4Å; M115-Q163 HydrophobicContact SD-CB 4.33Å; F119-Q163 HydrophobicContact CE2-CB 4.19Å; F119-Q163 HydrophobicContact CZ-CB 4.24Å; V159-Q163 VanDerWaalsContact C-NE2 3.26Å; V159-Q163 VanDerWaalsContact CG1-NE2 3.28Å; V159-Q163 WeakPolarHBondContact O-CB 3.5Å; V159-Q163 WeakPolarHBondContact O-CG 3.19Å; V159-Q163 PolarHBondContact O-N 2.83Å; V159-Q163 PolarHBondContact O-NE2 2.92Å; N160-Q163 PolarHBondContact O-N 3.28Å; Q163-P165 VanDerWaalsContact C-CD 3.47Å; Q163-F166 VanDerWaalsContact O-CB 3.26Å; Q163-F166 WeakPolarHBondContact O-CB 3.25Å; Q163-F166 PolarHBondContact O-N 2.89Å |
| 164 | A | 97.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.6 | -43.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L12 F166 H167 L168 F177 | L12-A164 HydrophobicContact CD1-CB 4.16Å; A164-F166 PolarHBondContact O-N 2.99Å; A164-H167 PolarHBondContact O-N 3.43Å; A164-L168 WeakPolarHBondContact O-CG 3.21Å; A164-L168 PolarHBondContact O-N 3.04Å; A164-L168 VanDerWaalsContact O-N 3.09Å; A164-F177 HydrophobicContact CB-CD1 3.87Å; A164-F177 HydrophobicContact CB-CD2 4.14Å; A164-F177 HydrophobicContact CB-CE1 3.42Å; A164-F177 VanDerWaalsContact CB-CE1 3.42Å; A164-F177 HydrophobicContact CB-CE2 3.67Å; A164-F177 HydrophobicContact CB-CG 4.23Å; A164-F177 HydrophobicContact CB-CZ 3.3Å |
| 165 | P | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -31.3 | 176.4 | -27.9 | 38.4 | 0 | 0 | 0 | 114.4 | G111 I114 M115 G162 Q163 H167 L168 L169 L178 | G111-P165 CarbonylContact C-O 3.58Å; G111-P165 VanDerWaalsContact CA-O 3.28Å; G111-P165 WeakPolarHBondContact CA-O 3.35Å; G111-P165 CarbonylContact O-C 3.42Å; G111-P165 WeakPolarHBondContact O-CB 3.06Å; I114-P165 HydrophobicContact CB-CB 4.05Å; I114-P165 HydrophobicContact CG2-CB 3.81Å; I114-P165 HydrophobicContact CG2-CG 3.77Å; M115-P165 HydrophobicContact CB-CB 4.32Å; G162-P165 WeakPolarHBondContact O-CD 3.19Å; Q163-P165 VanDerWaalsContact C-CD 3.47Å; P165-H167 VanDerWaalsContact C-N 3.27Å; P165-H167 PolarHBondContact O-N 3.01Å; P165-L168 PolarHBondContact O-N 3.35Å; P165-L169 PolarHBondContact O-N 3.47Å; P165-L178 HydrophobicContact CG-CD2 4.25Å |
| 166 | F | 97.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -31.2 | 178.3 | -177.2 | -80.6 | 0 | 0 | 0 | 112.6 | Y19 H106 Y112 M115 F116 Q163 A164 L169 | Y19-F166 WeakPolarHBondContact OH-CE1 3.36Å; H106-F166 HydrophobicContact CB-CE2 4.36Å; H106-F166 AromaticContact CD2-CE2 3.33Å; H106-F166 WeakPolarHBondContact CD2-CE2 3.44Å; H106-F166 AromaticContact CD2-CZ 3.4Å; H106-F166 VanDerWaalsContact CD2-CZ 3.4Å; H106-F166 WeakPolarHBondContact CD2-CZ 3.24Å; H106-F166 AromaticContact CG-CE2 3.79Å; H106-F166 AromaticContact NE2-CE2 3.74Å; H106-F166 AromaticContact NE2-CZ 3.85Å; Y112-F166 HydrophobicContact CD1-CB 4.43Å; Y112-F166 AromaticContact CD1-CD2 3.35Å; Y112-F166 HydrophobicContact CD1-CD2 3.35Å; Y112-F166 AromaticContact CD1-CE2 3.6Å; Y112-F166 HydrophobicContact CD1-CE2 3.6Å; Y112-F166 AromaticContact CD1-CG 3.88Å; Y112-F166 HydrophobicContact CD1-CG 3.88Å; Y112-F166 HydrophobicContact CD1-CZ 4.31Å; Y112-F166 HydrophobicContact CE1-CD1 4.23Å; Y112-F166 AromaticContact CE1-CD2 3.72Å; Y112-F166 HydrophobicContact CE1-CD2 3.72Å; Y112-F166 HydrophobicContact CE1-CE1 4.18Å; Y112-F166 AromaticContact CE1-CE2 3.68Å; Y112-F166 HydrophobicContact CE1-CE2 3.68Å; Y112-F166 AromaticContact CE1-CG 3.99Å; Y112-F166 HydrophobicContact CE1-CG 3.99Å; Y112-F166 AromaticContact CE1-CZ 3.92Å; Y112-F166 HydrophobicContact CE1-CZ 3.92Å; Y112-F166 HydrophobicContact CG-CD2 4.41Å; M115-F166 HydrophobicContact CB-CB 3.97Å; M115-F166 HydrophobicContact CE-CB 4.46Å; M115-F166 HydrophobicContact CE-CD2 3.74Å; M115-F166 HydrophobicContact CE-CE2 4.45Å; M115-F166 HydrophobicContact CE-CG 4.44Å; M115-F166 HydrophobicContact CG-CB 3.84Å; M115-F166 HydrophobicContact SD-CB 3.34Å; M115-F166 WeakPolarHBondContact SD-CB 3.33Å; M115-F166 HydrophobicContact SD-CD2 3.65Å; M115-F166 HydrophobicContact SD-CG 3.74Å; F116-F166 HydrophobicContact CE2-CD2 4.18Å; F116-F166 HydrophobicContact CE2-CE2 4.07Å; F116-F166 HydrophobicContact CZ-CD2 4.44Å; F116-F166 HydrophobicContact CZ-CE2 4.17Å; Q163-F166 VanDerWaalsContact O-CB 3.26Å; Q163-F166 WeakPolarHBondContact O-CB 3.25Å; Q163-F166 PolarHBondContact O-N 2.89Å; A164-F166 PolarHBondContact O-N 2.99Å; F166-L169 VanDerWaalsContact O-CD2 3.31Å; F166-L169 WeakPolarHBondContact O-CD2 3.45Å |
| 167 | H | 96.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 22% | 0.218 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -87.9 | -24.7 | 176.6 | -55.6 | -52.8 | 0 | 0 | 0 | 112.7 | L12 I15 Y19 A164 P165 | L12-H167 VanDerWaalsContact CD2-CD2 3.47Å; L12-H167 WeakPolarHBondContact CD2-CD2 3.49Å; I15-H167 WeakPolarHBondContact CG2-CE1 3.32Å; Y19-H167 AromaticContact CE2-CE1 3.73Å; Y19-H167 AromaticContact CZ-CE1 3.99Å; Y19-H167 PolarHBondContact OH-CE1 3.03Å; A164-H167 PolarHBondContact O-N 3.43Å; P165-H167 VanDerWaalsContact C-N 3.27Å; P165-H167 PolarHBondContact O-N 3.01Å |
| 168 | L | 96.5 | Very high | 96.9 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -79 | -26 | 177.6 | -69.3 | 172 | 0 | 0 | 0 | 113.1 | A164 P165 D170 F177 | A164-L168 WeakPolarHBondContact O-CG 3.21Å; A164-L168 PolarHBondContact O-N 3.04Å; A164-L168 VanDerWaalsContact O-N 3.09Å; P165-L168 PolarHBondContact O-N 3.35Å; L168-D170 PolarHBondContact O-N 2.71Å; L168-F177 HydrophobicContact CD1-CB 3.67Å; L168-F177 HydrophobicContact CD1-CD2 4.39Å; L168-F177 HydrophobicContact CD1-CG 4.07Å |
| 169 | L | 96.1 | Very high | 96.9 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | trans | 63.1 | -45.8 | 177.8 | -56.2 | 174.5 | 0 | 0 | 0 | 115.5 | Y109 G111 Y112 P165 F166 | Y109-L169 HydrophobicContact CD1-CB 4.12Å; Y109-L169 HydrophobicContact CG-CB 4.27Å; Y109-L169 HydrophobicContact CG-CD2 4.31Å; G111-L169 WeakPolarHBondContact CA-O 3.49Å; G111-L169 PolarHBondContact N-O 2.91Å; Y112-L169 HydrophobicContact CD1-CD2 4.32Å; Y112-L169 HydrophobicContact CE1-CD2 3.43Å; Y112-L169 VanDerWaalsContact CE1-CD2 3.43Å; Y112-L169 HydrophobicContact CE2-CD2 4.37Å; Y112-L169 VanDerWaalsContact CZ-CD2 3.47Å; Y112-L169 WeakPolarHBondContact OH-CD2 3.38Å; P165-L169 PolarHBondContact O-N 3.47Å; F166-L169 VanDerWaalsContact O-CD2 3.31Å; F166-L169 WeakPolarHBondContact O-CD2 3.45Å | ||
| 170 | D | 95.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 49.5 Ų | 49.5 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -76.7 | 143.8 | -176.3 | -62.4 | -32.1 | 0 | 0 | 0 | 112.4 | L168 S174 | L168-D170 PolarHBondContact O-N 2.71Å; D170-S174 WeakPolarHBondContact O-CB 3.4Å; D170-S174 PolarHBondContact O-N 3.38Å; D170-S174 PolarHBondContact O-OG 2.94Å |
| 171 | F | 96.7 | Very high | 96.8 | Very high | 117 Ų | 117 | 50.5 Ų | 50.5 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -50 | 175.5 | -174.7 | -109 | 0 | 0 | 0 | 112.1 | P110 I114 S174 L175 | P110-F171 HydrophobicContact CB-CB 3.65Å; P110-F171 HydrophobicContact CB-CD2 4.03Å; P110-F171 HydrophobicContact CB-CG 4.32Å; P110-F171 HydrophobicContact CG-CB 4.01Å; I114-F171 HydrophobicContact CD1-CD2 3.78Å; I114-F171 HydrophobicContact CD1-CE2 4.17Å; F171-S174 PolarHBondContact O-N 3.4Å; F171-L175 HydrophobicContact CD1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CD1 3.3Å; F171-L175 HydrophobicContact CE1-CG 4.23Å; F171-L175 HydrophobicContact CE2-CD1 4.01Å; F171-L175 HydrophobicContact CE2-CG 4.26Å; F171-L175 HydrophobicContact CZ-CD1 3.36Å; F171-L175 HydrophobicContact CZ-CG 4.11Å; F171-L175 WeakPolarHBondContact O-CB 3.23Å; F171-L175 WeakPolarHBondContact O-CG 3.34Å; F171-L175 PolarHBondContact O-N 3.21Å |
| 172 | Y | 97.3 | Very high | 96.7 | Very high | 162 Ų | 162 | 57.1 Ų | 57.1 | 64% | 0.635 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.8 | -48.3 | -176.6 | 179.6 | -96.4 | 0 | 0 | 0 | 111.9 | S174 L175 K176 | Y172-S174 VanDerWaalsContact C-N 3.32Å; Y172-S174 PolarHBondContact O-N 3.43Å; Y172-L175 PolarHBondContact O-N 3.47Å; Y172-K176 HydrophobicContact CE1-CD 4.25Å; Y172-K176 VanDerWaalsContact O-CB 3.32Å; Y172-K176 WeakPolarHBondContact O-CB 3.43Å; Y172-K176 PolarHBondContact O-N 2.93Å |
| 173 | S | 96.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 178 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | K176 F177 | S173-K176 PolarHBondContact O-N 2.71Å; S173-F177 WeakPolarHBondContact O-CB 3.43Å; S173-F177 PolarHBondContact O-N 3.4Å |
| 174 | S | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 175.3 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | D170 F171 Y172 K176 F177 L178 | D170-S174 WeakPolarHBondContact O-CB 3.4Å; D170-S174 PolarHBondContact O-N 3.38Å; D170-S174 PolarHBondContact O-OG 2.94Å; F171-S174 PolarHBondContact O-N 3.4Å; Y172-S174 VanDerWaalsContact C-N 3.32Å; Y172-S174 PolarHBondContact O-N 3.43Å; S174-K176 PolarHBondContact O-N 3.24Å; S174-F177 WeakPolarHBondContact O-CB 3.22Å; S174-F177 PolarHBondContact O-N 2.97Å; S174-L178 WeakPolarHBondContact O-CG 3.1Å; S174-L178 PolarHBondContact O-N 2.99Å |
| 175 | L | 97.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 65.1 Ų | 65.1 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 178.1 | -75.8 | -172.5 | 0 | 0 | 0 | 112.8 | F171 Y172 F177 L178 R179 F183 | F171-L175 HydrophobicContact CD1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CD1 3.3Å; F171-L175 HydrophobicContact CE1-CG 4.23Å; F171-L175 HydrophobicContact CE2-CD1 4.01Å; F171-L175 HydrophobicContact CE2-CG 4.26Å; F171-L175 HydrophobicContact CZ-CD1 3.36Å; F171-L175 HydrophobicContact CZ-CG 4.11Å; F171-L175 WeakPolarHBondContact O-CB 3.23Å; F171-L175 WeakPolarHBondContact O-CG 3.34Å; F171-L175 PolarHBondContact O-N 3.21Å; Y172-L175 PolarHBondContact O-N 3.47Å; L175-F177 VanDerWaalsContact C-N 3.28Å; L175-F177 PolarHBondContact O-N 2.87Å; L175-L178 HydrophobicContact CD2-CD1 4.48Å; L175-L178 PolarHBondContact O-N 2.93Å; L175-R179 VanDerWaalsContact O-CB 3.28Å; L175-R179 WeakPolarHBondContact O-CB 3.5Å; L175-R179 PolarHBondContact O-N 2.93Å; L175-F183 HydrophobicContact CD2-CZ 4.32Å |
| 176 | K | 97.5 | Very high | 96.7 | Very high | 123 Ų | 123 | 66.5 Ų | 66.5 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.3 | -176.3 | 178 | 178.6 | 179.5 | 0 | 110.4 | Y172 S173 S174 V180 | Y172-K176 HydrophobicContact CE1-CD 4.25Å; Y172-K176 VanDerWaalsContact O-CB 3.32Å; Y172-K176 WeakPolarHBondContact O-CB 3.43Å; Y172-K176 PolarHBondContact O-N 2.93Å; S173-K176 PolarHBondContact O-N 2.71Å; S174-K176 PolarHBondContact O-N 3.24Å; K176-V180 WeakPolarHBondContact O-CG2 3.43Å; K176-V180 PolarHBondContact O-N 3.15Å |
| 177 | F | 97.4 | Very high | 96.7 | Very high | 31 Ų | 31 | 70.7 Ų | 70.7 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 173.8 | 173.3 | -87.1 | 0 | 0 | 0 | 112 | V8 Y161 A164 L168 S173 S174 L175 R179 V180 F181 | V8-F177 HydrophobicContact CG1-CE2 4.27Å; V8-F177 HydrophobicContact CG1-CZ 4.08Å; V8-F177 HydrophobicContact CG2-CE2 3.72Å; V8-F177 HydrophobicContact CG2-CZ 4.25Å; Y161-F177 AromaticContact CD2-CE1 3.81Å; Y161-F177 HydrophobicContact CD2-CE1 3.81Å; Y161-F177 HydrophobicContact CD2-CZ 4.29Å; Y161-F177 HydrophobicContact CE2-CE1 4.06Å; Y161-F177 WeakPolarHBondContact O-CE1 3.17Å; A164-F177 HydrophobicContact CB-CD1 3.87Å; A164-F177 HydrophobicContact CB-CD2 4.14Å; A164-F177 HydrophobicContact CB-CE1 3.42Å; A164-F177 VanDerWaalsContact CB-CE1 3.42Å; A164-F177 HydrophobicContact CB-CE2 3.67Å; A164-F177 HydrophobicContact CB-CG 4.23Å; A164-F177 HydrophobicContact CB-CZ 3.3Å; L168-F177 HydrophobicContact CD1-CB 3.67Å; L168-F177 HydrophobicContact CD1-CD2 4.39Å; L168-F177 HydrophobicContact CD1-CG 4.07Å; S173-F177 WeakPolarHBondContact O-CB 3.43Å; S173-F177 PolarHBondContact O-N 3.4Å; S174-F177 WeakPolarHBondContact O-CB 3.22Å; S174-F177 PolarHBondContact O-N 2.97Å; L175-F177 VanDerWaalsContact C-N 3.28Å; L175-F177 PolarHBondContact O-N 2.87Å; F177-R179 VanDerWaalsContact C-N 3.3Å; F177-R179 PolarHBondContact O-N 3.41Å; F177-V180 WeakPolarHBondContact O-CB 3.47Å; F177-V180 PolarHBondContact O-N 3.16Å; F177-V180 VanDerWaalsContact O-N 3.14Å; F177-F181 HydrophobicContact CD2-CE2 4.21Å; F177-F181 HydrophobicContact CE1-CD2 4.1Å; F177-F181 HydrophobicContact CE1-CE2 4.18Å; F177-F181 HydrophobicContact CE2-CD2 4.24Å; F177-F181 AromaticContact CE2-CE2 3.58Å; F177-F181 HydrophobicContact CE2-CE2 3.58Å; F177-F181 AromaticContact CZ-CD2 3.94Å; F177-F181 HydrophobicContact CZ-CD2 3.94Å; F177-F181 AromaticContact CZ-CE2 3.54Å; F177-F181 HydrophobicContact CZ-CE2 3.54Å; F177-F181 HydrophobicContact CZ-CZ 4.49Å; F177-F181 WeakPolarHBondContact O-CD2 3.34Å; F177-F181 PolarHBondContact O-N 3.29Å |
| 178 | L | 97.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | -179.3 | -61.1 | 179.1 | 0 | 0 | 0 | 112.2 | I114 Y161 P165 S174 L175 V180 F181 Y182 F183 | I114-L178 HydrophobicContact CG2-CD1 3.65Å; Y161-L178 HydrophobicContact CE1-CD2 4.11Å; Y161-L178 HydrophobicContact CE2-CD2 3.76Å; Y161-L178 VanDerWaalsContact CZ-CD2 3.47Å; Y161-L178 WeakPolarHBondContact OH-CD2 3.46Å; P165-L178 HydrophobicContact CG-CD2 4.25Å; S174-L178 WeakPolarHBondContact O-CG 3.1Å; S174-L178 PolarHBondContact O-N 2.99Å; L175-L178 HydrophobicContact CD2-CD1 4.48Å; L175-L178 PolarHBondContact O-N 2.93Å; L178-V180 VanDerWaalsContact C-N 3.33Å; L178-V180 PolarHBondContact O-N 2.97Å; L178-F181 CarbonylContact O-C 3.49Å; L178-F181 PolarHBondContact O-N 2.98Å; L178-Y182 PolarHBondContact O-N 3.42Å; L178-F183 HydrophobicContact CB-CD1 3.83Å; L178-F183 HydrophobicContact CB-CE1 3.38Å; L178-F183 HydrophobicContact CB-CE2 4.35Å; L178-F183 HydrophobicContact CB-CG 4.49Å; L178-F183 HydrophobicContact CB-CZ 3.66Å; L178-F183 HydrophobicContact CD1-CD1 4.35Å; L178-F183 HydrophobicContact CD1-CE1 3.7Å; L178-F183 HydrophobicContact CD1-CZ 4.49Å; L178-F183 HydrophobicContact CG-CE1 4.19Å; L178-F183 PolarHBondContact O-N 3.28Å |
| 179 | R | 96.6 | Very high | 96.8 | Very high | 153 Ų | 153 | 70.1 Ų | 70.1 | 58% | 0.577 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.7 | -35.3 | 175.4 | -170 | -174.3 | -60 | 169.6 | 0.9 | 112.5 | L175 F177 F181 Y182 F183 | L175-R179 VanDerWaalsContact O-CB 3.28Å; L175-R179 WeakPolarHBondContact O-CB 3.5Å; L175-R179 PolarHBondContact O-N 2.93Å; F177-R179 VanDerWaalsContact C-N 3.3Å; F177-R179 PolarHBondContact O-N 3.41Å; R179-F181 PolarHBondContact O-N 3.29Å; R179-Y182 WeakPolarHBondContact O-CA 3.28Å; R179-Y182 PolarHBondContact O-N 3.26Å; R179-F183 HydrophobicContact CB-CE2 4.09Å |
| 180 | V | 96 | Very high | 96.8 | Very high | 48 Ų | 48 | 71 Ų | 71 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -27.3 | 175.4 | 149.6 | 0 | 0 | 0 | 0 | 112.3 | M1 K176 F177 L178 | M1-V180 WeakPolarHBondContact CE-O 3.32Å; K176-V180 WeakPolarHBondContact O-CG2 3.43Å; K176-V180 PolarHBondContact O-N 3.15Å; F177-V180 WeakPolarHBondContact O-CB 3.47Å; F177-V180 PolarHBondContact O-N 3.16Å; F177-V180 VanDerWaalsContact O-N 3.14Å; L178-V180 VanDerWaalsContact C-N 3.33Å; L178-V180 PolarHBondContact O-N 2.97Å |
| 181 | F | 95.7 | Very high | 96.9 | Very high | 22 Ų | 22 | 68.2 Ų | 68.2 | 10% | 0.096 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 13.8 | 172.4 | -70.4 | -82 | 0 | 0 | 0 | 113 | R4 I5 V8 Y161 F177 L178 R179 F183 I184 | R4-F181 HydrophobicContact CB-CE1 4.33Å; R4-F181 HydrophobicContact CB-CZ 4.15Å; I5-F181 HydrophobicContact CG1-CE1 3.86Å; V8-F181 HydrophobicContact CB-CZ 4.37Å; V8-F181 HydrophobicContact CG2-CE2 4.03Å; V8-F181 HydrophobicContact CG2-CZ 3.76Å; Y161-F181 HydrophobicContact CD2-CB 4.13Å; Y161-F181 HydrophobicContact CD2-CD2 4.01Å; Y161-F181 HydrophobicContact CD2-CG 4.01Å; Y161-F181 HydrophobicContact CE2-CB 3.65Å; Y161-F181 HydrophobicContact CE2-CD2 4.06Å; Y161-F181 AromaticContact CE2-CG 3.99Å; Y161-F181 HydrophobicContact CE2-CG 3.99Å; F177-F181 HydrophobicContact CD2-CE2 4.21Å; F177-F181 HydrophobicContact CE1-CD2 4.1Å; F177-F181 HydrophobicContact CE1-CE2 4.18Å; F177-F181 HydrophobicContact CE2-CD2 4.24Å; F177-F181 AromaticContact CE2-CE2 3.58Å; F177-F181 HydrophobicContact CE2-CE2 3.58Å; F177-F181 AromaticContact CZ-CD2 3.94Å; F177-F181 HydrophobicContact CZ-CD2 3.94Å; F177-F181 AromaticContact CZ-CE2 3.54Å; F177-F181 HydrophobicContact CZ-CE2 3.54Å; F177-F181 HydrophobicContact CZ-CZ 4.49Å; F177-F181 WeakPolarHBondContact O-CD2 3.34Å; F177-F181 PolarHBondContact O-N 3.29Å; L178-F181 CarbonylContact O-C 3.49Å; L178-F181 PolarHBondContact O-N 2.98Å; R179-F181 PolarHBondContact O-N 3.29Å; F181-F183 PolarHBondContact O-N 3.34Å; F181-I184 WeakPolarHBondContact O-CD1 3.5Å; F181-I184 VanDerWaalsContact O-CG1 3.29Å; F181-I184 WeakPolarHBondContact O-CG1 3.41Å; F181-I184 PolarHBondContact O-N 3.21Å |
| 182 | Y | 95.4 | Very high | 96.8 | Very high | 150 Ų | 150 | 64.8 Ų | 64.8 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 28.2 | -179.2 | -54.5 | -64.9 | 0 | 0 | 0 | 114.4 | M1 L178 R179 I184 | M1-Y182 HydrophobicContact CE-CD2 3.58Å; M1-Y182 HydrophobicContact CE-CE2 3.08Å; L178-Y182 PolarHBondContact O-N 3.42Å; R179-Y182 WeakPolarHBondContact O-CA 3.28Å; R179-Y182 PolarHBondContact O-N 3.26Å; Y182-I184 HydrophobicContact CD2-CD1 4.38Å; Y182-I184 PolarHBondContact O-N 3.36Å |
| 183 | F | 96.5 | Very high | 96.7 | Very high | 70 Ų | 70 | 58 Ų | 58 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 22.3 | -174.2 | -63.9 | -91.7 | 0 | 0 | 0 | 114.2 | L175 L178 R179 F181 H186 L187 | L175-F183 HydrophobicContact CD2-CZ 4.32Å; L178-F183 HydrophobicContact CB-CD1 3.83Å; L178-F183 HydrophobicContact CB-CE1 3.38Å; L178-F183 HydrophobicContact CB-CE2 4.35Å; L178-F183 HydrophobicContact CB-CG 4.49Å; L178-F183 HydrophobicContact CB-CZ 3.66Å; L178-F183 HydrophobicContact CD1-CD1 4.35Å; L178-F183 HydrophobicContact CD1-CE1 3.7Å; L178-F183 HydrophobicContact CD1-CZ 4.49Å; L178-F183 HydrophobicContact CG-CE1 4.19Å; L178-F183 PolarHBondContact O-N 3.28Å; R179-F183 HydrophobicContact CB-CE2 4.09Å; F181-F183 PolarHBondContact O-N 3.34Å; F183-H186 HydrophobicContact CB-CB 4.32Å; F183-H186 WeakPolarHBondContact O-CA 3.46Å; F183-H186 WeakPolarHBondContact O-CB 3.45Å; F183-H186 PolarHBondContact O-N 3.38Å; F183-L187 HydrophobicContact CB-CG 4.44Å; F183-L187 WeakPolarHBondContact O-CG 3.33Å; F183-L187 PolarHBondContact O-N 3.28Å |
| 184 | I | 96.8 | Very high | 96.7 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 43% | 0.431 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.8 | -49.1 | -173 | -70.6 | 163.1 | 0 | 0 | 0 | 112 | F181 Y182 H186 L187 I188 | F181-I184 WeakPolarHBondContact O-CD1 3.5Å; F181-I184 VanDerWaalsContact O-CG1 3.29Å; F181-I184 WeakPolarHBondContact O-CG1 3.41Å; F181-I184 PolarHBondContact O-N 3.21Å; Y182-I184 HydrophobicContact CD2-CD1 4.38Å; Y182-I184 PolarHBondContact O-N 3.36Å; I184-H186 VanDerWaalsContact C-N 3.31Å; I184-H186 PolarHBondContact O-N 3.31Å; I184-L187 PolarHBondContact O-N 3.35Å; I184-I188 HydrophobicContact CG2-CD1 3.69Å; I184-I188 HydrophobicContact CG2-CG1 4.39Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 2.94Å |
| 185 | P | 96.5 | Very high | 96.6 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 20% | 0.201 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -35.1 | 178.7 | -24.5 | 37.2 | 0 | 0 | 0 | 113.3 | F122 Y161 A189 | F122-P185 HydrophobicContact CE1-CB 4.27Å; F122-P185 WeakPolarHBondContact CE1-O 3.47Å; F122-P185 HydrophobicContact CZ-CB 4.03Å; Y161-P185 HydrophobicContact CD1-CB 3.71Å; Y161-P185 HydrophobicContact CD1-CG 3.58Å; Y161-P185 HydrophobicContact CD2-CG 4.22Å; Y161-P185 HydrophobicContact CE1-CB 3.62Å; Y161-P185 HydrophobicContact CE1-CG 3.6Å; Y161-P185 HydrophobicContact CE2-CG 4.27Å; Y161-P185 HydrophobicContact CG-CB 4.48Å; Y161-P185 HydrophobicContact CG-CG 3.87Å; P185-A189 VanDerWaalsContact O-CB 3.29Å; P185-A189 WeakPolarHBondContact O-CB 3.46Å; P185-A189 PolarHBondContact O-N 3.12Å |
| 186 | H | 98 | Very high | 96.4 | Very high | 29 Ų | 29 | 66.2 Ų | 66.2 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 174.7 | -69.6 | 85 | 0 | 0 | 0 | 111.7 | S118 F122 Y161 F183 I184 I188 A189 V190 | S118-H186 WeakPolarHBondContact CB-NE2 3.43Å; S118-H186 PolarHBondContact OG-NE2 2.86Å; F122-H186 AromaticContact CZ-CE1 3.76Å; F122-H186 AromaticContact CZ-ND1 3.87Å; F122-H186 AromaticContact CZ-NE2 3.85Å; Y161-H186 AromaticContact CE1-CE1 3.45Å; Y161-H186 VanDerWaalsContact CE1-CE1 3.45Å; Y161-H186 WeakPolarHBondContact CE1-CE1 3.44Å; Y161-H186 AromaticContact CE1-ND1 3.37Å; Y161-H186 WeakPolarHBondContact CE1-ND1 3.43Å; Y161-H186 AromaticContact CZ-CE1 3.76Å; Y161-H186 AromaticContact CZ-ND1 3.52Å; Y161-H186 PolarHBondContact OH-CE1 3.45Å; Y161-H186 VanDerWaalsContact OH-CE1 3.3Å; Y161-H186 PolarHBondContact OH-ND1 2.9Å; F183-H186 HydrophobicContact CB-CB 4.32Å; F183-H186 WeakPolarHBondContact O-CA 3.46Å; F183-H186 WeakPolarHBondContact O-CB 3.45Å; F183-H186 PolarHBondContact O-N 3.38Å; I184-H186 VanDerWaalsContact C-N 3.31Å; I184-H186 PolarHBondContact O-N 3.31Å; H186-I188 PolarHBondContact O-N 3.4Å; H186-A189 PolarHBondContact O-N 3.35Å; H186-V190 WeakPolarHBondContact O-CG2 3.45Å; H186-V190 PolarHBondContact O-N 3.17Å |
| 187 | L | 97.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 66 Ų | 66 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 178.9 | -66.9 | 176 | 0 | 0 | 0 | 111.5 | F183 I184 G191 | F183-L187 HydrophobicContact CB-CG 4.44Å; F183-L187 WeakPolarHBondContact O-CG 3.33Å; F183-L187 PolarHBondContact O-N 3.28Å; I184-L187 PolarHBondContact O-N 3.35Å; L187-G191 PolarHBondContact O-N 2.91Å |
| 188 | I | 96.9 | Very high | 96.1 | Very high | 98 Ų | 98 | 71 Ų | 71 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.3 | -68.5 | 170.1 | 0 | 0 | 0 | 110.6 | I184 H186 G191 I192 | I184-I188 HydrophobicContact CG2-CD1 3.69Å; I184-I188 HydrophobicContact CG2-CG1 4.39Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 2.94Å; H186-I188 PolarHBondContact O-N 3.4Å; I188-G191 PolarHBondContact O-N 2.9Å; I188-I192 HydrophobicContact CG2-CD1 3.76Å; I188-I192 HydrophobicContact CG2-CG1 4.41Å; I188-I192 WeakPolarHBondContact O-CG1 3.41Å; I188-I192 PolarHBondContact O-N 3.1Å |
| 189 | A | 97.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 77.3 Ų | 77.3 | 3% | 0.033 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L121 F122 T125 P185 H186 I192 L193 | L121-A189 HydrophobicContact CD1-CB 4.41Å; L121-A189 HydrophobicContact CD2-CB 4Å; L121-A189 HydrophobicContact CG-CB 3.89Å; F122-A189 HydrophobicContact CD1-CB 3.76Å; F122-A189 HydrophobicContact CE1-CB 3.88Å; T125-A189 HydrophobicContact CG2-CB 4.14Å; P185-A189 VanDerWaalsContact O-CB 3.29Å; P185-A189 WeakPolarHBondContact O-CB 3.46Å; P185-A189 PolarHBondContact O-N 3.12Å; H186-A189 PolarHBondContact O-N 3.35Å; A189-I192 PolarHBondContact O-N 3.13Å; A189-L193 WeakPolarHBondContact O-CG 3.42Å; A189-L193 PolarHBondContact O-N 3.48Å; A189-L193 VanDerWaalsContact O-N 3.07Å |
| 190 | V | 97.5 | Very high | 95.7 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L121 H186 I192 L193 S194 | L121-V190 HydrophobicContact CD1-CG2 4.24Å; L121-V190 HydrophobicContact CD2-CG2 4.12Å; H186-V190 WeakPolarHBondContact O-CG2 3.45Å; H186-V190 PolarHBondContact O-N 3.17Å; V190-I192 PolarHBondContact O-N 3.46Å; V190-L193 PolarHBondContact O-N 3.44Å; V190-S194 WeakPolarHBondContact O-CB 3.21Å; V190-S194 PolarHBondContact O-N 3.24Å; V190-S194 PolarHBondContact O-OG 3.43Å |
| 191 | G | 97.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 76.1 Ų | 76.1 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L187 I188 L193 S194 I195 | L187-G191 PolarHBondContact O-N 2.91Å; I188-G191 PolarHBondContact O-N 2.9Å; G191-L193 PolarHBondContact O-N 2.93Å; G191-S194 PolarHBondContact O-N 3.35Å; G191-I195 VanDerWaalsContact O-CG1 3.26Å; G191-I195 WeakPolarHBondContact O-CG1 3.44Å; G191-I195 PolarHBondContact O-N 3.17Å |
| 192 | I | 95.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 78.8 Ų | 78.8 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 177.6 | -68.7 | 168.4 | 0 | 0 | 0 | 111.1 | T125 L128 W129 I188 A189 V190 Y196 | T125-I192 HydrophobicContact CG2-CB 3.95Å; T125-I192 HydrophobicContact CG2-CD1 3.92Å; T125-I192 HydrophobicContact CG2-CG2 3.87Å; L128-I192 HydrophobicContact CD2-CG2 4.11Å; W129-I192 HydrophobicContact CE3-CD1 4.2Å; I188-I192 HydrophobicContact CG2-CD1 3.76Å; I188-I192 HydrophobicContact CG2-CG1 4.41Å; I188-I192 WeakPolarHBondContact O-CG1 3.41Å; I188-I192 PolarHBondContact O-N 3.1Å; A189-I192 PolarHBondContact O-N 3.13Å; V190-I192 PolarHBondContact O-N 3.46Å; I192-Y196 PolarHBondContact O-N 2.7Å; I192-Y196 VanDerWaalsContact O-N 3.16Å |
| 193 | L | 95.2 | Very high | 95.5 | Very high | 20 Ų | 20 | 77.3 Ų | 77.3 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.7 | -73.2 | 172.3 | 0 | 0 | 0 | 111.5 | L121 M124 T125 L128 A189 V190 G191 I195 Y196 F197 | L121-L193 HydrophobicContact CD1-CD1 3.44Å; L121-L193 VanDerWaalsContact CD1-CD1 3.44Å; M124-L193 HydrophobicContact CB-CD2 4.47Å; T125-L193 WeakPolarHBondContact OG1-CD1 3.49Å; L128-L193 HydrophobicContact CD2-CD2 3.93Å; A189-L193 WeakPolarHBondContact O-CG 3.42Å; A189-L193 PolarHBondContact O-N 3.48Å; A189-L193 VanDerWaalsContact O-N 3.07Å; V190-L193 PolarHBondContact O-N 3.44Å; G191-L193 PolarHBondContact O-N 2.93Å; L193-I195 PolarHBondContact O-N 3.34Å; L193-Y196 PolarHBondContact O-N 2.99Å; L193-F197 HydrophobicContact CB-CD2 4.3Å; L193-F197 HydrophobicContact CB-CE2 4.24Å; L193-F197 HydrophobicContact CD2-CE2 4.3Å; L193-F197 WeakPolarHBondContact O-CD2 3.35Å; L193-F197 PolarHBondContact O-N 3.31Å |
| 194 | S | 95.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 80.8 Ų | 80.8 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 178.6 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | V190 G191 Y196 F197 F198 | V190-S194 WeakPolarHBondContact O-CB 3.21Å; V190-S194 PolarHBondContact O-N 3.24Å; V190-S194 PolarHBondContact O-OG 3.43Å; G191-S194 PolarHBondContact O-N 3.35Å; S194-Y196 VanDerWaalsContact C-N 3.28Å; S194-Y196 PolarHBondContact O-N 3.11Å; S194-F197 PolarHBondContact O-N 3.24Å; S194-F198 VanDerWaalsContact O-CB 3.27Å; S194-F198 WeakPolarHBondContact O-CB 3.29Å; S194-F198 PolarHBondContact O-N 2.66Å |
| 195 | I | 95.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 81.1 Ų | 81.1 | 64% | 0.641 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | 176.2 | -69.7 | 166.1 | 0 | 0 | 0 | 110.7 | G191 L193 K199 | G191-I195 VanDerWaalsContact O-CG1 3.26Å; G191-I195 WeakPolarHBondContact O-CG1 3.44Å; G191-I195 PolarHBondContact O-N 3.17Å; L193-I195 PolarHBondContact O-N 3.34Å; I195-K199 WeakPolarHBondContact O-CB 3.5Å; I195-K199 PolarHBondContact O-N 3.47Å |
| 196 | Y | 93.1 | Very high | 95.2 | Very high | 67 Ų | 67 | 82.6 Ų | 82.6 | 26% | 0.263 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.4 | -46.8 | 179.2 | 174.6 | -102.6 | 0 | 0 | 0 | 113 | L128 H132 I192 L193 S194 F198 K199 V200 | L128-Y196 HydrophobicContact CD1-CD1 3.63Å; L128-Y196 HydrophobicContact CD1-CD2 3.5Å; L128-Y196 HydrophobicContact CD1-CE1 3.64Å; L128-Y196 HydrophobicContact CD1-CE2 3.53Å; L128-Y196 HydrophobicContact CD1-CG 3.53Å; L128-Y196 VanDerWaalsContact CD2-CB 3.46Å; L128-Y196 HydrophobicContact CD2-CD1 3.85Å; L128-Y196 HydrophobicContact CD2-CD2 4.24Å; L128-Y196 HydrophobicContact CD2-CG 3.58Å; L128-Y196 HydrophobicContact CG-CD1 4.39Å; L128-Y196 HydrophobicContact CG-CD2 4.34Å; L128-Y196 HydrophobicContact CG-CG 4.12Å; H132-Y196 AromaticContact CE1-CE2 3.95Å; H132-Y196 AromaticContact NE2-CD2 3.93Å; H132-Y196 AromaticContact NE2-CE2 3.27Å; H132-Y196 VanDerWaalsContact NE2-CE2 3.27Å; H132-Y196 WeakPolarHBondContact NE2-CE2 3.47Å; I192-Y196 PolarHBondContact O-N 2.7Å; I192-Y196 VanDerWaalsContact O-N 3.16Å; L193-Y196 PolarHBondContact O-N 2.99Å; S194-Y196 VanDerWaalsContact C-N 3.28Å; S194-Y196 PolarHBondContact O-N 3.11Å; Y196-F198 VanDerWaalsContact C-N 3.27Å; Y196-F198 PolarHBondContact O-N 2.82Å; Y196-K199 WeakPolarHBondContact O-CB 3.37Å; Y196-K199 PolarHBondContact O-N 2.77Å; Y196-V200 HydrophobicContact CD1-CG2 4.25Å; Y196-V200 HydrophobicContact CD2-CG2 4.27Å; Y196-V200 HydrophobicContact CE1-CG2 3.79Å; Y196-V200 HydrophobicContact CE2-CG2 3.81Å; Y196-V200 HydrophobicContact CG-CG2 4.49Å; Y196-V200 WeakPolarHBondContact O-CG2 3.3Å; Y196-V200 PolarHBondContact O-N 3.3Å |
| 197 | F | 93 | Very high | 95.1 | Very high | 118 Ų | 118 | 86.5 Ų | 86.5 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 177.2 | -77.2 | -62.5 | 0 | 0 | 0 | 111.4 | L193 S194 V200 Y201 | L193-F197 HydrophobicContact CB-CD2 4.3Å; L193-F197 HydrophobicContact CB-CE2 4.24Å; L193-F197 HydrophobicContact CD2-CE2 4.3Å; L193-F197 WeakPolarHBondContact O-CD2 3.35Å; L193-F197 PolarHBondContact O-N 3.31Å; S194-F197 PolarHBondContact O-N 3.24Å; F197-V200 PolarHBondContact O-N 2.9Å; F197-Y201 WeakPolarHBondContact O-CB 3.26Å; F197-Y201 PolarHBondContact O-N 3.3Å |
| 198 | F | 94.3 | Very high | 94.9 | Very high | 137 Ų | 137 | 87.2 Ų | 87.2 | 60% | 0.601 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.4 | -47.2 | 172.8 | -174 | -107.1 | 0 | 0 | 0 | 111.7 | S194 Y196 V200 Y201 I202 | S194-F198 VanDerWaalsContact O-CB 3.27Å; S194-F198 WeakPolarHBondContact O-CB 3.29Å; S194-F198 PolarHBondContact O-N 2.66Å; Y196-F198 VanDerWaalsContact C-N 3.27Å; Y196-F198 PolarHBondContact O-N 2.82Å; F198-V200 VanDerWaalsContact C-N 3.34Å; F198-V200 PolarHBondContact O-N 3.32Å; F198-Y201 WeakPolarHBondContact O-CB 3.39Å; F198-Y201 PolarHBondContact O-N 3.41Å; F198-I202 HydrophobicContact CD1-CG1 4.35Å; F198-I202 HydrophobicContact CE1-CG1 4Å; F198-I202 HydrophobicContact CE2-CD1 4.25Å; F198-I202 HydrophobicContact CE2-CG1 4.29Å; F198-I202 HydrophobicContact CZ-CD1 4.01Å; F198-I202 HydrophobicContact CZ-CG1 3.97Å; F198-I202 WeakPolarHBondContact O-CG1 3.37Å; F198-I202 PolarHBondContact O-N 3.22Å |
| 199 | K | 93.4 | Very high | 94.9 | Very high | 135 Ų | 135 | 90 Ų | 90 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.3 | -45.4 | 174.7 | -179.8 | -179.8 | 177.7 | 177.1 | 0 | 112.3 | I195 Y196 Y201 I202 M203 | I195-K199 WeakPolarHBondContact O-CB 3.5Å; I195-K199 PolarHBondContact O-N 3.47Å; Y196-K199 WeakPolarHBondContact O-CB 3.37Å; Y196-K199 PolarHBondContact O-N 2.77Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-I202 PolarHBondContact O-N 3.38Å; K199-M203 WeakPolarHBondContact O-CB 3.32Å; K199-M203 PolarHBondContact O-N 3.27Å |
| 200 | V | 92.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 94.8 Ų | 94.8 | 18% | 0.182 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 178.4 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Y196 F197 F198 M203 K204 | Y196-V200 HydrophobicContact CD1-CG2 4.25Å; Y196-V200 HydrophobicContact CD2-CG2 4.27Å; Y196-V200 HydrophobicContact CE1-CG2 3.79Å; Y196-V200 HydrophobicContact CE2-CG2 3.81Å; Y196-V200 HydrophobicContact CG-CG2 4.49Å; Y196-V200 WeakPolarHBondContact O-CG2 3.3Å; Y196-V200 PolarHBondContact O-N 3.3Å; F197-V200 PolarHBondContact O-N 2.9Å; F198-V200 VanDerWaalsContact C-N 3.34Å; F198-V200 PolarHBondContact O-N 3.32Å; V200-M203 PolarHBondContact O-N 3.46Å; V200-K204 HydrophobicContact CG1-CD 4.35Å; V200-K204 WeakPolarHBondContact O-CG 3.45Å; V200-K204 PolarHBondContact O-N 2.92Å |
| 201 | Y | 94 | Very high | 94.6 | Very high | 146 Ų | 146 | 95.4 Ų | 95.4 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.2 | -50.2 | 176.3 | 176.7 | -99.1 | 0 | 0 | 0 | 111.6 | F197 F198 K199 M203 K204 L205 | F197-Y201 WeakPolarHBondContact O-CB 3.26Å; F197-Y201 PolarHBondContact O-N 3.3Å; F198-Y201 WeakPolarHBondContact O-CB 3.39Å; F198-Y201 PolarHBondContact O-N 3.41Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; Y201-M203 VanDerWaalsContact C-N 3.32Å; Y201-M203 PolarHBondContact O-N 2.89Å; Y201-K204 PolarHBondContact O-N 2.78Å; Y201-L205 PolarHBondContact O-N 3.49Å |
| 202 | I | 94.8 | Very high | 94.5 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 40% | 0.4 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 176.8 | -64.2 | -61 | 0 | 0 | 0 | 111.5 | F198 K199 L205 S206 | F198-I202 HydrophobicContact CD1-CG1 4.35Å; F198-I202 HydrophobicContact CE1-CG1 4Å; F198-I202 HydrophobicContact CE2-CD1 4.25Å; F198-I202 HydrophobicContact CE2-CG1 4.29Å; F198-I202 HydrophobicContact CZ-CD1 4.01Å; F198-I202 HydrophobicContact CZ-CG1 3.97Å; F198-I202 WeakPolarHBondContact O-CG1 3.37Å; F198-I202 PolarHBondContact O-N 3.22Å; K199-I202 PolarHBondContact O-N 3.38Å; I202-L205 PolarHBondContact O-N 3.19Å; I202-S206 WeakPolarHBondContact O-CB 3.35Å; I202-S206 PolarHBondContact O-N 2.95Å |
| 203 | M | 94.1 | Very high | 94.5 | Very high | 120 Ų | 120 | 98.7 Ų | 98.7 | 59% | 0.591 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 177.3 | -171.4 | -179.4 | 76.8 | 0 | 0 | 112.1 | K199 V200 Y201 L205 S206 L207 | K199-M203 WeakPolarHBondContact O-CB 3.32Å; K199-M203 PolarHBondContact O-N 3.27Å; V200-M203 PolarHBondContact O-N 3.46Å; Y201-M203 VanDerWaalsContact C-N 3.32Å; Y201-M203 PolarHBondContact O-N 2.89Å; M203-L205 VanDerWaalsContact C-N 3.35Å; M203-S206 PolarHBondContact O-N 3.22Å; M203-L207 WeakPolarHBondContact O-CB 3.2Å; M203-L207 PolarHBondContact O-N 3.49Å |
| 204 | K | 94.3 | Very high | 94.4 | Very high | 142 Ų | 142 | 104.8 Ų | 104.8 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 175.2 | -75.8 | -178 | 177.5 | -173.4 | 0 | 112 | V200 Y201 L207 K208 | V200-K204 HydrophobicContact CG1-CD 4.35Å; V200-K204 WeakPolarHBondContact O-CG 3.45Å; V200-K204 PolarHBondContact O-N 2.92Å; Y201-K204 PolarHBondContact O-N 2.78Å; K204-L207 PolarHBondContact O-N 2.94Å; K204-K208 WeakPolarHBondContact O-CB 3.45Å; K204-K208 PolarHBondContact O-N 2.95Å |
| 205 | L | 94.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 109.6 Ų | 109.6 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.3 | -173.4 | 68.2 | 0 | 0 | 0 | 111.3 | Y201 I202 M203 K208 Y209 | Y201-L205 PolarHBondContact O-N 3.49Å; I202-L205 PolarHBondContact O-N 3.19Å; M203-L205 VanDerWaalsContact C-N 3.35Å; L205-K208 PolarHBondContact O-N 2.76Å; L205-Y209 PolarHBondContact O-N 3.19Å |
| 206 | S | 94.6 | Very high | 94.3 | Very high | 62 Ų | 62 | 110 Ų | 110 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | I202 M203 K208 Y209 Q210 | I202-S206 WeakPolarHBondContact O-CB 3.35Å; I202-S206 PolarHBondContact O-N 2.95Å; M203-S206 PolarHBondContact O-N 3.22Å; S206-K208 PolarHBondContact O-N 2.82Å; S206-Y209 PolarHBondContact O-N 3.16Å; S206-Q210 WeakPolarHBondContact O-CG 3.42Å; S206-Q210 PolarHBondContact O-N 3.33Å |
| 207 | L | 95.1 | Very high | 94.4 | Very high | 110 Ų | 110 | 111.1 Ų | 111.1 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 175.6 | -168.4 | 93.1 | 0 | 0 | 0 | 111.5 | M203 K204 Y209 Q210 V211 | M203-L207 WeakPolarHBondContact O-CB 3.2Å; M203-L207 PolarHBondContact O-N 3.49Å; K204-L207 PolarHBondContact O-N 2.94Å; L207-Y209 VanDerWaalsContact C-N 3.34Å; L207-Y209 PolarHBondContact O-N 2.84Å; L207-Q210 PolarHBondContact O-N 2.64Å; L207-V211 WeakPolarHBondContact O-CG2 3.47Å; L207-V211 PolarHBondContact O-N 3.41Å |
| 208 | K | 94.7 | Very high | 94.4 | Very high | 131 Ų | 131 | 112.2 Ų | 112.2 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.9 | -47.2 | 176.9 | -176.6 | -179.4 | 176 | -173.9 | 0 | 110.8 | K204 L205 S206 Q210 V211 D212 | K204-K208 WeakPolarHBondContact O-CB 3.45Å; K204-K208 PolarHBondContact O-N 2.95Å; L205-K208 PolarHBondContact O-N 2.76Å; S206-K208 PolarHBondContact O-N 2.82Å; K208-Q210 PolarHBondContact O-N 3.36Å; K208-V211 PolarHBondContact O-N 3.06Å; K208-V211 VanDerWaalsContact O-N 3.15Å; K208-D212 VanDerWaalsContact O-CG 3.29Å; K208-D212 PolarHBondContact O-N 3.33Å |
| 209 | Y | 95.5 | Very high | 94.4 | Very high | 157 Ų | 157 | 109.3 Ų | 109.3 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.7 | -43.5 | 176.7 | -180 | -108.1 | 0 | 0 | 0 | 112.7 | L205 S206 L207 V211 D212 I213 | L205-Y209 PolarHBondContact O-N 3.19Å; S206-Y209 PolarHBondContact O-N 3.16Å; L207-Y209 VanDerWaalsContact C-N 3.34Å; L207-Y209 PolarHBondContact O-N 2.84Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 2.95Å; Y209-D212 PolarHBondContact O-N 3.2Å; Y209-I213 HydrophobicContact CD1-CD1 3.76Å; Y209-I213 HydrophobicContact CE1-CD1 3.24Å; Y209-I213 HydrophobicContact CE1-CG1 4.34Å; Y209-I213 HydrophobicContact CE2-CD1 4.08Å; Y209-I213 HydrophobicContact CE2-CG1 4.4Å; Y209-I213 HydrophobicContact CG-CD1 4.37Å; Y209-I213 VanDerWaalsContact CZ-CD1 3.43Å; Y209-I213 WeakPolarHBondContact O-CG1 3.47Å; Y209-I213 PolarHBondContact O-N 3.37Å |
| 210 | Q | 94.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 108.4 Ų | 108.4 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 175.8 | -72.9 | -174.3 | -12.9 | 0 | 0 | 113.1 | S206 L207 K208 K214 | S206-Q210 WeakPolarHBondContact O-CG 3.42Å; S206-Q210 PolarHBondContact O-N 3.33Å; L207-Q210 PolarHBondContact O-N 2.64Å; K208-Q210 PolarHBondContact O-N 3.36Å; Q210-K214 WeakPolarHBondContact O-CG 3.42Å; Q210-K214 PolarHBondContact O-N 3.33Å; Q210-K214 VanDerWaalsContact O-N 3.14Å |
| 211 | V | 94.4 | Very high | 94.4 | Very high | 84 Ų | 84 | 110 Ų | 110 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L207 K208 Y209 K214 R215 | L207-V211 WeakPolarHBondContact O-CG2 3.47Å; L207-V211 PolarHBondContact O-N 3.41Å; K208-V211 PolarHBondContact O-N 3.06Å; K208-V211 VanDerWaalsContact O-N 3.15Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 2.95Å; V211-K214 PolarHBondContact O-N 2.83Å; V211-R215 WeakPolarHBondContact O-CB 3.36Å; V211-R215 PolarHBondContact O-N 3.32Å |
| 212 | D | 95.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 105.7 Ų | 105.7 | 43% | 0.428 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 179 | -67.7 | -23.8 | 0 | 0 | 0 | 111.4 | K208 Y209 R215 F216 | K208-D212 VanDerWaalsContact O-CG 3.29Å; K208-D212 PolarHBondContact O-N 3.33Å; Y209-D212 PolarHBondContact O-N 3.2Å; D212-R215 PolarHBondContact O-N 3.14Å; D212-F216 WeakPolarHBondContact O-CB 3.44Å; D212-F216 PolarHBondContact O-N 2.9Å |
| 213 | I | 94.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 107.1 Ų | 107.1 | 33% | 0.333 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 173 | -70.3 | 167.5 | 0 | 0 | 0 | 111.2 | Y209 R215 F216 D217 | Y209-I213 HydrophobicContact CD1-CD1 3.76Å; Y209-I213 HydrophobicContact CE1-CD1 3.24Å; Y209-I213 HydrophobicContact CE1-CG1 4.34Å; Y209-I213 HydrophobicContact CE2-CD1 4.08Å; Y209-I213 HydrophobicContact CE2-CG1 4.4Å; Y209-I213 HydrophobicContact CG-CD1 4.37Å; Y209-I213 VanDerWaalsContact CZ-CD1 3.43Å; Y209-I213 WeakPolarHBondContact O-CG1 3.47Å; Y209-I213 PolarHBondContact O-N 3.37Å; I213-R215 PolarHBondContact O-N 3.08Å; I213-F216 WeakPolarHBondContact O-CB 3.45Å; I213-F216 PolarHBondContact O-N 3.29Å; I213-F216 VanDerWaalsContact O-N 3.14Å; I213-D217 PolarHBondContact O-N 3.27Å |
| 214 | K | 94.3 | Very high | 94 | Very high | 147 Ų | 147 | 105 Ų | 105 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -35.5 | -179.3 | -76.1 | -179.7 | 179.7 | -175.9 | 0 | 112.3 | Q210 V211 Y218 | Q210-K214 WeakPolarHBondContact O-CG 3.42Å; Q210-K214 PolarHBondContact O-N 3.33Å; Q210-K214 VanDerWaalsContact O-N 3.14Å; V211-K214 PolarHBondContact O-N 2.83Å; K214-Y218 VanDerWaalsContact O-CB 3.31Å; K214-Y218 WeakPolarHBondContact O-CB 3.49Å; K214-Y218 PolarHBondContact O-N 3.42Å |
| 215 | R | 94.7 | Very high | 93.8 | Very high | 170 Ų | 170 | 104.6 Ų | 104.6 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 175.5 | -168.6 | 177.2 | -168.9 | 172.7 | 4.2 | 111.1 | V211 D212 I213 Y218 D219 | V211-R215 WeakPolarHBondContact O-CB 3.36Å; V211-R215 PolarHBondContact O-N 3.32Å; D212-R215 PolarHBondContact O-N 3.14Å; I213-R215 PolarHBondContact O-N 3.08Å; R215-Y218 PolarHBondContact O-N 3Å; R215-D219 VanDerWaalsContact O-CG 3.29Å; R215-D219 PolarHBondContact O-N 2.87Å |
| 216 | F | 94.4 | Very high | 93.4 | Very high | 134 Ų | 134 | 104.2 Ų | 104.2 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | 175.5 | -179.6 | -95.6 | 0 | 0 | 0 | 112.5 | D212 I213 Y218 D219 K220 | D212-F216 WeakPolarHBondContact O-CB 3.44Å; D212-F216 PolarHBondContact O-N 2.9Å; I213-F216 WeakPolarHBondContact O-CB 3.45Å; I213-F216 PolarHBondContact O-N 3.29Å; I213-F216 VanDerWaalsContact O-N 3.14Å; F216-Y218 VanDerWaalsContact C-N 3.32Å; F216-Y218 PolarHBondContact O-N 3.03Å; F216-D219 PolarHBondContact O-N 3.11Å; F216-K220 HydrophobicContact CE1-CD 4.38Å; F216-K220 WeakPolarHBondContact O-CB 3.38Å; F216-K220 PolarHBondContact O-N 2.88Å |
| 217 | D | 94.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 109.2 Ų | 109.2 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 177.7 | -70.7 | -27 | 0 | 0 | 0 | 112.1 | I213 S221 | I213-D217 PolarHBondContact O-N 3.27Å; D217-S221 WeakPolarHBondContact O-CB 3.47Å; D217-S221 PolarHBondContact O-N 2.73Å |
| 218 | Y | 93.4 | Very high | 92.8 | Very high | 142 Ų | 142 | 111.5 Ų | 111.5 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -49.8 | 175.4 | 178.8 | -98.2 | 0 | 0 | 0 | 111.9 | K214 R215 F216 K220 S221 N222 | K214-Y218 VanDerWaalsContact O-CB 3.31Å; K214-Y218 WeakPolarHBondContact O-CB 3.49Å; K214-Y218 PolarHBondContact O-N 3.42Å; R215-Y218 PolarHBondContact O-N 3Å; F216-Y218 VanDerWaalsContact C-N 3.32Å; F216-Y218 PolarHBondContact O-N 3.03Å; Y218-K220 VanDerWaalsContact C-N 3.32Å; Y218-K220 PolarHBondContact O-N 3.42Å; Y218-S221 PolarHBondContact O-N 2.9Å; Y218-S221 PolarHBondContact O-OG 3.26Å; Y218-N222 WeakPolarHBondContact CE1-ND2 3.31Å; Y218-N222 PolarHBondContact O-N 2.66Å; Y218-N222 VanDerWaalsContact O-N 3.07Å; Y218-N222 PolarHBondContact OH-ND2 3.05Å |
| 219 | D | 94.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 110.4 Ų | 110.4 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 179.3 | -67.6 | -21.5 | 0 | 0 | 0 | 110.6 | R215 F216 S221 N222 D223 | R215-D219 VanDerWaalsContact O-CG 3.29Å; R215-D219 PolarHBondContact O-N 2.87Å; F216-D219 PolarHBondContact O-N 3.11Å; D219-S221 PolarHBondContact O-N 3.3Å; D219-N222 PolarHBondContact O-N 3.2Å; D219-D223 PolarHBondContact O-N 2.65Å |
| 220 | K | 93.3 | Very high | 91.6 | Very high | 116 Ų | 116 | 105.8 Ų | 105.8 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.7 | -171.8 | 174.7 | -178 | 174.3 | 0 | 112.9 | F216 Y218 N222 D223 D224 | F216-K220 HydrophobicContact CE1-CD 4.38Å; F216-K220 WeakPolarHBondContact O-CB 3.38Å; F216-K220 PolarHBondContact O-N 2.88Å; Y218-K220 VanDerWaalsContact C-N 3.32Å; Y218-K220 PolarHBondContact O-N 3.42Å; K220-N222 VanDerWaalsContact C-N 3.32Å; K220-N222 PolarHBondContact O-N 3.4Å; K220-D223 PolarHBondContact O-N 3.45Å; K220-D224 PolarHBondContact O-N 3.37Å |
| 221 | S | 91.8 | Very high | 91 | Very high | 62 Ų | 62 | 105.9 Ų | 105.9 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 178 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | D217 Y218 D219 K225 | D217-S221 WeakPolarHBondContact O-CB 3.47Å; D217-S221 PolarHBondContact O-N 2.73Å; Y218-S221 PolarHBondContact O-N 2.9Å; Y218-S221 PolarHBondContact O-OG 3.26Å; D219-S221 PolarHBondContact O-N 3.3Å; S221-K225 WeakPolarHBondContact O-CB 3.11Å; S221-K225 PolarHBondContact O-N 2.94Å; S221-K225 VanDerWaalsContact O-N 3.11Å |
| 222 | N | 91.2 | Very high | 90.1 | Very high | 57 Ų | 57 | 105 Ų | 105 | 31% | 0.305 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.6 | -41.1 | 175.9 | -84 | -27.7 | 0 | 0 | 0 | 111.8 | Y218 D219 K220 D224 K225 C226 | Y218-N222 WeakPolarHBondContact CE1-ND2 3.31Å; Y218-N222 PolarHBondContact O-N 2.66Å; Y218-N222 VanDerWaalsContact O-N 3.07Å; Y218-N222 PolarHBondContact OH-ND2 3.05Å; D219-N222 PolarHBondContact O-N 3.2Å; K220-N222 VanDerWaalsContact C-N 3.32Å; K220-N222 PolarHBondContact O-N 3.4Å; N222-D224 VanDerWaalsContact C-N 3.34Å; N222-D224 PolarHBondContact O-N 2.86Å; N222-K225 PolarHBondContact O-N 3.48Å; N222-C226 WeakPolarHBondContact O-CB 3.34Å; N222-C226 PolarHBondContact O-N 3.18Å |
| 223 | D | 92.2 | Very high | 89.1 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | 174.8 | -77.5 | -14 | 0 | 0 | 0 | 111.6 | D219 K220 K225 C226 R227 | D219-D223 PolarHBondContact O-N 2.65Å; K220-D223 PolarHBondContact O-N 3.45Å; D223-K225 VanDerWaalsContact C-N 3.33Å; D223-K225 PolarHBondContact O-N 3.46Å; D223-C226 PolarHBondContact O-N 3.41Å; D223-R227 WeakPolarHBondContact O-CB 3.46Å; D223-R227 PolarHBondContact O-N 3.03Å |
| 224 | D | 91.6 | Very high | 88.1 | Confident | 74 Ų | 74 | 105.7 Ų | 105.7 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.1 | -76.8 | -22.2 | 0 | 0 | 0 | 112 | K220 N222 R227 K228 | K220-D224 PolarHBondContact O-N 3.37Å; N222-D224 VanDerWaalsContact C-N 3.34Å; N222-D224 PolarHBondContact O-N 2.86Å; D224-R227 PolarHBondContact O-N 3.44Å; D224-K228 WeakPolarHBondContact O-CG 3.42Å; D224-K228 PolarHBondContact O-N 3.36Å |
| 225 | K | 90.1 | Very high | 86.9 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 59% | 0.587 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | 175.7 | -170.4 | 179.9 | -179.4 | -177.7 | 0 | 111.9 | S221 N222 D223 R227 K228 L229 | S221-K225 WeakPolarHBondContact O-CB 3.11Å; S221-K225 PolarHBondContact O-N 2.94Å; S221-K225 VanDerWaalsContact O-N 3.11Å; N222-K225 PolarHBondContact O-N 3.48Å; D223-K225 VanDerWaalsContact C-N 3.33Å; D223-K225 PolarHBondContact O-N 3.46Å; K225-R227 VanDerWaalsContact C-N 3.31Å; K225-R227 PolarHBondContact O-N 3.44Å; K225-K228 PolarHBondContact O-N 2.82Å; K225-L229 HydrophobicContact CG-CD1 4.38Å; K225-L229 WeakPolarHBondContact O-CG 3.36Å; K225-L229 PolarHBondContact O-N 2.86Å |
| 226 | C | 87.5 | Confident | 85.6 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.3 | -43 | 174.3 | -81 | 0 | 0 | 0 | 0 | 111.4 | N222 D223 L229 S230 | N222-C226 WeakPolarHBondContact O-CB 3.34Å; N222-C226 PolarHBondContact O-N 3.18Å; D223-C226 PolarHBondContact O-N 3.41Å; C226-L229 PolarHBondContact O-N 3.28Å; C226-S230 PolarHBondContact O-N 3.14Å |
| 227 | R | 88.5 | Confident | 84.2 | Confident | 167 Ų | 167 | 104.5 Ų | 104.5 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 176.2 | -163.2 | -177.2 | -68.3 | -175.1 | -0.4 | 111.5 | D223 D224 K225 L229 S230 I231 | D223-R227 WeakPolarHBondContact O-CB 3.46Å; D223-R227 PolarHBondContact O-N 3.03Å; D224-R227 PolarHBondContact O-N 3.44Å; K225-R227 VanDerWaalsContact C-N 3.31Å; K225-R227 PolarHBondContact O-N 3.44Å; R227-L229 PolarHBondContact O-N 2.69Å; R227-S230 PolarHBondContact O-N 3.27Å; R227-S230 PolarHBondContact O-OG 3.24Å; R227-I231 HydrophobicContact CG-CD1 4.34Å; R227-I231 WeakPolarHBondContact O-CG1 3.26Å; R227-I231 PolarHBondContact O-N 2.94Å; R227-I231 VanDerWaalsContact O-N 3.11Å |
| 228 | K | 87.4 | Confident | 82.6 | Confident | 158 Ų | 158 | 103.4 Ų | 103.4 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 176 | -74.6 | 178.6 | -178.3 | 180 | 0 | 113.2 | D224 K225 I231 S232 | D224-K228 WeakPolarHBondContact O-CG 3.42Å; D224-K228 PolarHBondContact O-N 3.36Å; K225-K228 PolarHBondContact O-N 2.82Å; K228-I231 PolarHBondContact O-N 3.5Å; K228-S232 PolarHBondContact O-N 3.33Å |
| 229 | L | 83.8 | Confident | 81.1 | Confident | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 176.4 | -75.3 | 167.6 | 0 | 0 | 0 | 112 | K225 C226 R227 I231 S232 S233 | K225-L229 HydrophobicContact CG-CD1 4.38Å; K225-L229 WeakPolarHBondContact O-CG 3.36Å; K225-L229 PolarHBondContact O-N 2.86Å; C226-L229 PolarHBondContact O-N 3.28Å; R227-L229 PolarHBondContact O-N 2.69Å; L229-I231 VanDerWaalsContact C-N 3.34Å; L229-I231 PolarHBondContact O-N 2.96Å; L229-S232 PolarHBondContact O-N 3.14Å; L229-S233 PolarHBondContact O-N 3.33Å |
| 230 | S | 82.3 | Confident | 79.3 | Confident | 59 Ų | 59 | 102.9 Ų | 102.9 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.4 | -38.1 | 176.6 | 72.7 | 0 | 0 | 0 | 0 | 112.7 | C226 R227 N234 | C226-S230 PolarHBondContact O-N 3.14Å; R227-S230 PolarHBondContact O-N 3.27Å; R227-S230 PolarHBondContact O-OG 3.24Å; S230-N234 PolarHBondContact O-N 3.3Å |
| 231 | I | 81.3 | Confident | 77.3 | Confident | 107 Ų | 107 | 100.1 Ų | 100.1 | 55% | 0.549 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.7 | -44.8 | 176.6 | -65.6 | 165.5 | 0 | 0 | 0 | 110.6 | R227 K228 L229 N234 H235 | R227-I231 HydrophobicContact CG-CD1 4.34Å; R227-I231 WeakPolarHBondContact O-CG1 3.26Å; R227-I231 PolarHBondContact O-N 2.94Å; R227-I231 VanDerWaalsContact O-N 3.11Å; K228-I231 PolarHBondContact O-N 3.5Å; L229-I231 VanDerWaalsContact C-N 3.34Å; L229-I231 PolarHBondContact O-N 2.96Å; I231-N234 PolarHBondContact O-N 3.38Å; I231-H235 PolarHBondContact O-N 3.41Å; I231-H235 VanDerWaalsContact O-N 3.09Å |
| 232 | S | 76.8 | Confident | 75.2 | Confident | 67 Ų | 67 | 110 Ų | 110 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.2 | -45.8 | 177.2 | -165.2 | 0 | 0 | 0 | 0 | 112 | K228 L229 N234 H235 D236 | K228-S232 PolarHBondContact O-N 3.33Å; L229-S232 PolarHBondContact O-N 3.14Å; S232-N234 VanDerWaalsContact C-N 3.31Å; S232-N234 PolarHBondContact O-N 3.38Å; S232-H235 WeakPolarHBondContact O-CB 3.45Å; S232-H235 PolarHBondContact O-N 3.35Å; S232-H235 VanDerWaalsContact O-N 3.08Å; S232-D236 PolarHBondContact O-N 2.83Å |
| 233 | S | 74.5 | Confident | 74.4 | Confident | 50 Ų | 50 | 112.7 Ų | 112.7 | 35% | 0.35 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.7 | -36.5 | 179.3 | 178.9 | 0 | 0 | 0 | 0 | 112.8 | L229 H235 R237 | L229-S233 PolarHBondContact O-N 3.33Å; S233-H235 VanDerWaalsContact C-N 3.34Å; S233-R237 WeakPolarHBondContact O-CG 3.42Å; S233-R237 PolarHBondContact O-N 3.46Å |
| 234 | N | 72.5 | Confident | 73.4 | Confident | 108 Ų | 108 | 112.9 Ų | 112.9 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.6 | -34 | 174.3 | -79.1 | -20 | 0 | 0 | 0 | 112.1 | S230 I231 S232 G238 | S230-N234 PolarHBondContact O-N 3.3Å; I231-N234 PolarHBondContact O-N 3.38Å; S232-N234 VanDerWaalsContact C-N 3.31Å; S232-N234 PolarHBondContact O-N 3.38Å; N234-G238 PolarHBondContact O-N 2.86Å |
| 235 | H | 68.9 | Low | 72.4 | Confident | 129 Ų | 129 | 115.1 Ų | 115.1 | 60% | 0.597 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.5 | -37 | 178.1 | -150.5 | -53 | 0 | 0 | 0 | 112.4 | I231 S232 S233 G238 | I231-H235 PolarHBondContact O-N 3.41Å; I231-H235 VanDerWaalsContact O-N 3.09Å; S232-H235 WeakPolarHBondContact O-CB 3.45Å; S232-H235 PolarHBondContact O-N 3.35Å; S232-H235 VanDerWaalsContact O-N 3.08Å; S233-H235 VanDerWaalsContact C-N 3.34Å; H235-G238 PolarHBondContact O-N 3.11Å |
| 236 | D | 67.9 | Low | 71.4 | Confident | 107 Ų | 107 | 113.9 Ų | 113.9 | 57% | 0.572 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70 | -36.4 | 176.6 | -67.2 | -31 | 0 | 0 | 0 | 112.3 | S232 G238 I239 | S232-D236 PolarHBondContact O-N 2.83Å; D236-G238 PolarHBondContact O-N 2.86Å; D236-I239 PolarHBondContact O-N 3.05Å |
| 237 | R | 63.9 | Low | 70.4 | Confident | 191 Ų | 191 | 115.8 Ų | 115.8 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.6 | -23.6 | 173.7 | -74.1 | -177.2 | -173.3 | 178.6 | 3.4 | 113.1 | S233 | S233-R237 WeakPolarHBondContact O-CG 3.42Å; S233-R237 PolarHBondContact O-N 3.46Å |
| 238 | G | 61.9 | Low | 69.2 | Low | 66 Ų | 66 | 112.4 Ų | 112.4 | 68% | 0.68 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -16.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N234 H235 D236 | N234-G238 PolarHBondContact O-N 2.86Å; H235-G238 PolarHBondContact O-N 3.11Å; D236-G238 PolarHBondContact O-N 2.86Å |
| 239 | I | 61.8 | Low | 67.9 | Low | 135 Ų | 135 | 109.1 Ų | 109.1 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -20.2 | -172.8 | -62.3 | 172 | 0 | 0 | 0 | 112.5 | D236 | D236-I239 PolarHBondContact O-N 3.05Š|
| 240 | G | 56.4 | Low | 66.6 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 75% | 0.753 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -99.1 | 8.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 241 | G | 51.8 | Low | 65.3 | Low | 58 Ų | 58 | 113.3 Ų | 113.3 | 60% | 0.598 | 65% | 0.65 | S | S | * | * | trans | -108.7 | 90.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 242 | H | 46.2 | Very low | 63.9 | Low | 269 Ų | 269 | 113.9 Ų | 113.9 | 100% | 1.245 | 66% | 0.66 | S | S | * | * | trans | 63.4 | 0 | 160.8 | -69.1 | -66.5 | 0 | 0 | 0 | 119.9 |
Retrieved 242 of 242 residues in 54.4 ms
(Link to these results)