| 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 | 78.7 | Confident | 95.7 | Very high | 200 Ų | 200 | 66.2 Ų | 66.2 | 99% | 0.985 | 36% | 0.358 | S | S | * | . | 0 | 139.3 | 0 | -74.4 | -176.6 | -114.5 | 0 | 0 | 108.2 | |||||
| 2 | S | 93.6 | Very high | 95.9 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | trans | -62.1 | 146.5 | 177 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | D4 E7 Q104 | S2-D4 PolarHBondContact OG-N 3.19Å; S2-D4 VanDerWaalsContact OG-N 3.07Å; S2-E7 VanDerWaalsContact CB-OE2 3.3Å; S2-E7 WeakPolarHBondContact CB-OE2 3.46Å; S2-E7 PolarHBondContact OG-OE2 3.45Å; S2-Q104 PolarHBondContact O-NE2 2.82Å | ||
| 3 | Q | 96.8 | Very high | 96 | Very high | 102 Ų | 102 | 60.7 Ų | 60.7 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -88.5 | -11.6 | 171.5 | -64.4 | 174.1 | 20.7 | 0 | 0 | 111.7 | L5 K103 A107 | Q3-L5 PolarHBondContact O-N 3.4Å; Q3-K103 HydrophobicContact CG-CB 4.34Å; Q3-A107 HydrophobicContact CB-CB 4.18Å |
| 4 | D | 97.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | trans | -82.7 | 114.6 | 177.3 | -169.5 | -23.4 | 0 | 0 | 0 | 110.2 | S2 K6 E7 V8 | S2-D4 PolarHBondContact OG-N 3.19Å; S2-D4 VanDerWaalsContact OG-N 3.07Å; D4-K6 PolarHBondContact O-N 3.47Å; D4-K6 WeakPolarHBondContact OD1-CB 3.46Å; D4-K6 PolarHBondContact OD1-N 3.32Å; D4-E7 HydrophobicContact CB-CB 4.14Å; D4-E7 HydrophobicContact CB-CG 3.88Å; D4-E7 PolarHBondContact O-N 3.4Å; D4-V8 WeakPolarHBondContact O-CG2 3.38Å; D4-V8 PolarHBondContact O-N 3.35Å; D4-V8 VanDerWaalsContact O-N 3.14Å | ||
| 5 | L | 98.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.6 | -36 | 177.5 | 177.6 | 62.4 | 0 | 0 | 0 | 111.8 | Q3 V8 M9 F91 W92 C95 T96 L108 Y170 | Q3-L5 PolarHBondContact O-N 3.4Å; L5-V8 PolarHBondContact O-N 3.03Å; L5-M9 HydrophobicContact CD1-CG 4.03Å; L5-M9 HydrophobicContact CD1-SD 4.43Å; L5-M9 HydrophobicContact CG-CG 4.29Å; L5-M9 HydrophobicContact CG-SD 4.33Å; L5-M9 WeakPolarHBondContact O-CB 3.23Å; L5-M9 VanDerWaalsContact O-CG 3.27Å; L5-M9 WeakPolarHBondContact O-CG 3.35Å; L5-M9 PolarHBondContact O-N 3.41Å; L5-F91 HydrophobicContact CD2-CD1 4.16Å; L5-F91 HydrophobicContact CD2-CE1 3.9Å; L5-W92 HydrophobicContact CB-CE3 4.03Å; L5-W92 HydrophobicContact CB-CH2 4.18Å; L5-W92 HydrophobicContact CB-CZ3 3.66Å; L5-W92 HydrophobicContact CD1-CD2 3.85Å; L5-W92 HydrophobicContact CD1-CE3 3.8Å; L5-W92 HydrophobicContact CD1-CG 4.33Å; L5-W92 HydrophobicContact CD1-CH2 4.36Å; L5-W92 HydrophobicContact CD1-CZ2 4.42Å; L5-W92 HydrophobicContact CD1-CZ3 4.08Å; L5-W92 HydrophobicContact CG-CE3 4.38Å; L5-W92 HydrophobicContact CG-CZ3 4.44Å; L5-C95 HydrophobicContact CD1-CB 4.01Å; L5-T96 HydrophobicContact CD1-CG2 3.48Å; L5-T96 VanDerWaalsContact CD1-CG2 3.48Å; L5-L108 HydrophobicContact CD2-CD1 4.18Å; L5-Y170 HydrophobicContact CB-CE2 4.47Å; L5-Y170 WeakPolarHBondContact CB-OH 3.31Å; L5-Y170 HydrophobicContact CD2-CE2 3.93Å; L5-Y170 HydrophobicContact CG-CE2 3.94Å |
| 6 | K | 98.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.6 | -43 | -178.6 | -165.4 | 175.6 | -174.6 | 171 | 0 | 111.4 | D4 M9 A10 W166 Y170 E171 | D4-K6 PolarHBondContact O-N 3.47Å; D4-K6 WeakPolarHBondContact OD1-CB 3.46Å; D4-K6 PolarHBondContact OD1-N 3.32Å; K6-M9 PolarHBondContact O-N 3.26Å; K6-A10 WeakPolarHBondContact O-CB 3.46Å; K6-A10 PolarHBondContact O-N 3.2Å; K6-W166 HydrophobicContact CG-CH2 4.08Å; K6-W166 HydrophobicContact CG-CZ3 4.19Å; K6-Y170 HydrophobicContact CB-CD1 4.34Å; K6-Y170 HydrophobicContact CB-CE1 3.69Å; K6-Y170 HydrophobicContact CB-CE2 4.4Å; K6-Y170 HydrophobicContact CD-CD1 3.93Å; K6-Y170 HydrophobicContact CD-CE1 3.87Å; K6-Y170 HydrophobicContact CG-CD1 4.01Å; K6-Y170 HydrophobicContact CG-CE1 3.86Å; K6-Y170 PolarHBondContact N-OH 3.06Å; K6-E171 IonicContact NZ-OE1 3.83Å; K6-E171 PolarHBondContact NZ-OE1 2.99Å |
| 7 | E | 98 | Very high | 96.3 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.3 | -67.1 | -177.8 | 164.7 | 0 | 0 | 111.5 | S2 D4 A10 S11 | S2-E7 VanDerWaalsContact CB-OE2 3.3Å; S2-E7 WeakPolarHBondContact CB-OE2 3.46Å; S2-E7 PolarHBondContact OG-OE2 3.45Å; D4-E7 HydrophobicContact CB-CB 4.14Å; D4-E7 HydrophobicContact CB-CG 3.88Å; D4-E7 PolarHBondContact O-N 3.4Å; E7-A10 PolarHBondContact O-N 3.33Å; E7-S11 PolarHBondContact O-N 3.34Å |
| 8 | V | 98.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 67.7 Ų | 67.7 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | D4 L5 S11 K12 W92 T96 | D4-V8 WeakPolarHBondContact O-CG2 3.38Å; D4-V8 PolarHBondContact O-N 3.35Å; D4-V8 VanDerWaalsContact O-N 3.14Å; L5-V8 PolarHBondContact O-N 3.03Å; V8-S11 PolarHBondContact O-N 2.93Å; V8-K12 WeakPolarHBondContact O-CG 3.23Å; V8-K12 PolarHBondContact O-N 3.39Å; V8-K12 VanDerWaalsContact O-N 3.1Å; V8-W92 HydrophobicContact CB-CZ2 4.19Å; V8-W92 HydrophobicContact CG1-CZ2 4.2Å; V8-W92 HydrophobicContact CG2-CH2 4.14Å; V8-W92 HydrophobicContact CG2-CZ2 3.93Å; V8-T96 HydrophobicContact CG1-CG2 3.8Å |
| 9 | M | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.7 | -76.3 | -164.2 | 72.9 | 0 | 0 | 112.4 | L5 K6 S11 K12 I13 C95 T96 W166 Y170 I408 | L5-M9 HydrophobicContact CD1-CG 4.03Å; L5-M9 HydrophobicContact CD1-SD 4.43Å; L5-M9 HydrophobicContact CG-CG 4.29Å; L5-M9 HydrophobicContact CG-SD 4.33Å; L5-M9 WeakPolarHBondContact O-CB 3.23Å; L5-M9 VanDerWaalsContact O-CG 3.27Å; L5-M9 WeakPolarHBondContact O-CG 3.35Å; L5-M9 PolarHBondContact O-N 3.41Å; K6-M9 PolarHBondContact O-N 3.26Å; M9-S11 VanDerWaalsContact C-N 3.27Å; M9-S11 PolarHBondContact O-N 2.9Å; M9-K12 PolarHBondContact O-N 3.31Å; M9-K12 VanDerWaalsContact O-N 3.15Å; M9-I13 HydrophobicContact CB-CD1 4.42Å; M9-I13 WeakPolarHBondContact O-CB 3.43Å; M9-I13 WeakPolarHBondContact O-CD1 3.38Å; M9-I13 WeakPolarHBondContact O-CG1 3.34Å; M9-I13 PolarHBondContact O-N 3.48Å; M9-C95 HydrophobicContact CE-CB 4.26Å; M9-C95 HydrophobicContact CG-CB 4.33Å; M9-C95 HydrophobicContact SD-CB 3.75Å; M9-T96 HydrophobicContact CG-CG2 4.28Å; M9-W166 HydrophobicContact CB-CZ3 4.18Å; M9-Y170 HydrophobicContact SD-CD2 3.85Å; M9-Y170 HydrophobicContact SD-CE2 3.98Å; M9-I408 HydrophobicContact CE-CB 4.21Å; M9-I408 HydrophobicContact CE-CG2 3.38Å; M9-I408 HydrophobicContact SD-CG2 4.31Å |
| 10 | A | 98 | Very high | 96.4 | Very high | 38 Ų | 38 | 69.9 Ų | 69.9 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.9 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K6 E7 V14 W166 | K6-A10 WeakPolarHBondContact O-CB 3.46Å; K6-A10 PolarHBondContact O-N 3.2Å; E7-A10 PolarHBondContact O-N 3.33Å; A10-V14 WeakPolarHBondContact O-CG2 3.48Å; A10-V14 PolarHBondContact O-N 3.29Å; A10-W166 HydrophobicContact CB-CH2 3.87Å; A10-W166 HydrophobicContact CB-CZ2 3.93Å |
| 11 | S | 97.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 69.4 Ų | 69.4 | 57% | 0.566 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.6 | -49.2 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | E7 V8 M9 I13 V14 E15 | E7-S11 PolarHBondContact O-N 3.34Å; V8-S11 PolarHBondContact O-N 2.93Å; M9-S11 VanDerWaalsContact C-N 3.27Å; M9-S11 PolarHBondContact O-N 2.9Å; S11-I13 VanDerWaalsContact C-N 3.32Å; S11-I13 PolarHBondContact O-N 2.95Å; S11-V14 PolarHBondContact O-N 3.24Å; S11-E15 PolarHBondContact O-N 2.91Å |
| 12 | K | 97.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 21% | 0.213 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 179.5 | -67.9 | -70.3 | -175.3 | 169.2 | 0 | 112.8 | V8 M9 E15 H16 D98 W409 | V8-K12 WeakPolarHBondContact O-CG 3.23Å; V8-K12 PolarHBondContact O-N 3.39Å; V8-K12 VanDerWaalsContact O-N 3.1Å; M9-K12 PolarHBondContact O-N 3.31Å; M9-K12 VanDerWaalsContact O-N 3.15Å; K12-E15 PolarHBondContact O-N 3.3Å; K12-H16 WeakPolarHBondContact O-CB 3.49Å; K12-H16 PolarHBondContact O-N 3.35Å; K12-D98 WeakPolarHBondContact CE-OD2 3.23Å; K12-D98 IonicContact NZ-OD1 3.61Å; K12-D98 PolarHBondContact NZ-OD1 3.48Å; K12-D98 IonicContact NZ-OD2 2.74Å; K12-D98 PolarHBondContact NZ-OD2 3Å; K12-W409 HydrophobicContact CB-CH2 4.18Å; K12-W409 HydrophobicContact CB-CZ2 4.26Å |
| 13 | I | 97.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 178.8 | -73.6 | 165.2 | 0 | 0 | 0 | 110.5 | M9 S11 S17 W166 W409 A412 | M9-I13 HydrophobicContact CB-CD1 4.42Å; M9-I13 WeakPolarHBondContact O-CB 3.43Å; M9-I13 WeakPolarHBondContact O-CD1 3.38Å; M9-I13 WeakPolarHBondContact O-CG1 3.34Å; M9-I13 PolarHBondContact O-N 3.48Å; S11-I13 VanDerWaalsContact C-N 3.32Å; S11-I13 PolarHBondContact O-N 2.95Å; I13-S17 WeakPolarHBondContact O-CB 3.4Å; I13-S17 PolarHBondContact O-N 2.96Å; I13-S17 PolarHBondContact O-OG 3.2Å; I13-W166 HydrophobicContact CD1-CD2 3.43Å; I13-W166 VanDerWaalsContact CD1-CD2 3.43Å; I13-W166 HydrophobicContact CD1-CE3 3.51Å; I13-W166 HydrophobicContact CD1-CG 4Å; I13-W166 HydrophobicContact CD1-CH2 4.04Å; I13-W166 HydrophobicContact CD1-CZ2 3.98Å; I13-W166 HydrophobicContact CD1-CZ3 3.82Å; I13-W409 HydrophobicContact CG1-CE3 4.44Å; I13-W409 HydrophobicContact CG1-CH2 4.02Å; I13-W409 HydrophobicContact CG1-CZ3 3.95Å; I13-A412 HydrophobicContact CB-CB 4.43Å; I13-A412 HydrophobicContact CD1-CB 3.59Å; I13-A412 HydrophobicContact CG1-CB 3.7Å; I13-A412 HydrophobicContact CG2-CB 3.86Å |
| 14 | V | 97.2 | Very high | 97.6 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | A10 S11 K18 | A10-V14 WeakPolarHBondContact O-CG2 3.48Å; A10-V14 PolarHBondContact O-N 3.29Å; S11-V14 PolarHBondContact O-N 3.24Å; V14-K18 WeakPolarHBondContact O-CG 3.41Å; V14-K18 PolarHBondContact O-N 3.21Å |
| 15 | E | 97.2 | Very high | 97.6 | Very high | 130 Ų | 130 | 75.9 Ų | 75.9 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.7 | -52.8 | 179 | -172.4 | -173.5 | 165.2 | 0 | 0 | 111.8 | S11 K12 S17 K18 K19 | S11-E15 PolarHBondContact O-N 2.91Å; K12-E15 PolarHBondContact O-N 3.3Å; E15-S17 PolarHBondContact O-N 3.01Å; E15-K18 WeakPolarHBondContact O-CB 3.45Å; E15-K18 PolarHBondContact O-N 3.18Å; E15-K19 PolarHBondContact O-N 3.16Å; E15-K19 VanDerWaalsContact O-N 3.14Å |
| 16 | H | 97.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 82.4 Ų | 82.4 | 15% | 0.153 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.1 | -35.8 | -175.7 | -166.8 | 66.3 | 0 | 0 | 0 | 112 | K12 K18 K19 V20 E53 W409 | K12-H16 WeakPolarHBondContact O-CB 3.49Å; K12-H16 PolarHBondContact O-N 3.35Å; H16-K18 VanDerWaalsContact C-N 3.29Å; H16-K18 PolarHBondContact O-N 2.85Å; H16-K19 WeakPolarHBondContact O-CB 3.3Å; H16-K19 PolarHBondContact O-N 3.2Å; H16-V20 WeakPolarHBondContact O-CG2 3.25Å; H16-V20 PolarHBondContact O-N 3.48Å; H16-E53 IonicContact CD2-OE1 2.68Å; H16-E53 IonicContact CE1-OE1 2.69Å; H16-E53 IonicContact CE1-OE2 3.17Å; H16-E53 IonicContact NE2-OE1 3.99Å; H16-E53 PolarHBondContact NE2-OE1 3.42Å; H16-E53 IonicContact NE2-OE2 3.94Å; H16-W409 HydrophobicContact CB-CH2 3.81Å; H16-W409 HydrophobicContact CB-CZ3 3.75Å; H16-W409 AromaticContact CD2-CZ3 3.59Å; H16-W409 AromaticContact CG-CZ3 3.98Å |
| 17 | S | 96.3 | Very high | 97.6 | Very high | 38 Ų | 38 | 83.3 Ų | 83.3 | 27% | 0.266 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 174.9 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | I13 E15 A21 | I13-S17 WeakPolarHBondContact O-CB 3.4Å; I13-S17 PolarHBondContact O-N 2.96Å; I13-S17 PolarHBondContact O-OG 3.2Å; E15-S17 PolarHBondContact O-N 3.01Å; S17-A21 VanDerWaalsContact O-CB 3.26Å; S17-A21 WeakPolarHBondContact O-CB 3.27Å; S17-A21 PolarHBondContact O-N 3.15Å |
| 18 | K | 97.3 | Very high | 97.5 | Very high | 146 Ų | 146 | 83.3 Ų | 83.3 | 64% | 0.635 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 173.8 | -71.3 | 174.2 | -171.5 | 179 | 0 | 111.4 | V14 E15 H16 A21 S22 | V14-K18 WeakPolarHBondContact O-CG 3.41Å; V14-K18 PolarHBondContact O-N 3.21Å; E15-K18 WeakPolarHBondContact O-CB 3.45Å; E15-K18 PolarHBondContact O-N 3.18Å; H16-K18 VanDerWaalsContact C-N 3.29Å; H16-K18 PolarHBondContact O-N 2.85Å; K18-A21 PolarHBondContact O-N 2.91Å; K18-S22 WeakPolarHBondContact O-CB 3.02Å; K18-S22 PolarHBondContact O-N 2.91Å |
| 19 | K | 97.7 | Very high | 97.4 | Very high | 144 Ų | 144 | 91.3 Ų | 91.3 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.9 | -50.7 | 175.3 | 178.2 | -175.6 | 173.7 | -175.1 | 0 | 111.3 | E15 H16 A21 S22 F23 | E15-K19 PolarHBondContact O-N 3.16Å; E15-K19 VanDerWaalsContact O-N 3.14Å; H16-K19 WeakPolarHBondContact O-CB 3.3Å; H16-K19 PolarHBondContact O-N 3.2Å; K19-A21 PolarHBondContact O-N 3.03Å; K19-S22 PolarHBondContact O-N 3.44Å; K19-F23 WeakPolarHBondContact O-CB 3.4Å; K19-F23 PolarHBondContact O-N 3.29Å |
| 20 | V | 96.9 | Very high | 97.4 | Very high | 34 Ų | 34 | 94.3 Ų | 94.3 | 21% | 0.206 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | H16 F23 R24 L413 | H16-V20 WeakPolarHBondContact O-CG2 3.25Å; H16-V20 PolarHBondContact O-N 3.48Å; V20-F23 PolarHBondContact O-N 3.01Å; V20-R24 HydrophobicContact CG1-CG 4.33Å; V20-R24 WeakPolarHBondContact O-CB 2.89Å; V20-R24 VanDerWaalsContact O-CG 3.3Å; V20-R24 WeakPolarHBondContact O-CG 3.2Å; V20-R24 PolarHBondContact O-N 3.4Å; V20-L413 HydrophobicContact CG2-CD2 4.18Å |
| 21 | A | 96.7 | Very high | 97.4 | Very high | 61 Ų | 61 | 98.5 Ų | 98.5 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S17 K18 K19 K25 | S17-A21 VanDerWaalsContact O-CB 3.26Å; S17-A21 WeakPolarHBondContact O-CB 3.27Å; S17-A21 PolarHBondContact O-N 3.15Å; K18-A21 PolarHBondContact O-N 2.91Å; K19-A21 PolarHBondContact O-N 3.03Å; A21-K25 WeakPolarHBondContact O-CB 3.38Å; A21-K25 PolarHBondContact O-N 3.46Å |
| 22 | S | 98.3 | Very high | 97.4 | Very high | 75 Ų | 75 | 100.1 Ų | 100.1 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 176.3 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | K18 K19 R24 K25 E26 | K18-S22 WeakPolarHBondContact O-CB 3.02Å; K18-S22 PolarHBondContact O-N 2.91Å; K19-S22 PolarHBondContact O-N 3.44Å; S22-R24 VanDerWaalsContact C-N 3.33Å; S22-R24 PolarHBondContact O-N 3.42Å; S22-K25 WeakPolarHBondContact O-CB 2.96Å; S22-K25 PolarHBondContact O-N 3.33Å; S22-K25 VanDerWaalsContact O-N 3.12Å; S22-E26 PolarHBondContact O-N 2.95Å; S22-E26 VanDerWaalsContact O-N 3.15Å |
| 23 | F | 98.3 | Very high | 97.3 | Very high | 127 Ų | 127 | 100.2 Ų | 100.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.1 | -44.4 | 179.3 | 177 | -106.9 | 0 | 0 | 0 | 111.9 | K19 V20 K25 E26 H27 | K19-F23 WeakPolarHBondContact O-CB 3.4Å; K19-F23 PolarHBondContact O-N 3.29Å; V20-F23 PolarHBondContact O-N 3.01Å; F23-K25 PolarHBondContact O-N 2.98Å; F23-E26 PolarHBondContact O-N 2.97Å; F23-H27 AromaticContact CD2-CD2 3.63Å; F23-H27 HydrophobicContact CE2-CB 4.15Å; F23-H27 AromaticContact CE2-CD2 3.54Å; F23-H27 HydrophobicContact CZ-CB 4.23Å; F23-H27 WeakPolarHBondContact O-CB 3.28Å; F23-H27 PolarHBondContact O-N 3.49Å |
| 24 | R | 97 | Very high | 97.2 | Very high | 165 Ų | 165 | 107.5 Ų | 107.5 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.1 | -33.9 | 177.3 | -71.5 | -177.8 | 68.2 | -164 | 0.4 | 112.6 | V20 S22 E26 N28 | V20-R24 HydrophobicContact CG1-CG 4.33Å; V20-R24 WeakPolarHBondContact O-CB 2.89Å; V20-R24 VanDerWaalsContact O-CG 3.3Å; V20-R24 WeakPolarHBondContact O-CG 3.2Å; V20-R24 PolarHBondContact O-N 3.4Å; S22-R24 VanDerWaalsContact C-N 3.33Å; S22-R24 PolarHBondContact O-N 3.42Å; R24-E26 VanDerWaalsContact C-N 3.27Å; R24-E26 PolarHBondContact O-N 3.27Å; R24-N28 WeakPolarHBondContact O-CA 3.22Å; R24-N28 WeakPolarHBondContact O-CB 3.39Å; R24-N28 PolarHBondContact O-N 3.38Å |
| 25 | K | 97.6 | Very high | 97.2 | Very high | 182 Ų | 182 | 109.4 Ų | 109.4 | 79% | 0.791 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.6 | -38.2 | 175.7 | -175.3 | -179.1 | 176.2 | -174.8 | 0 | 111.4 | A21 S22 F23 | A21-K25 WeakPolarHBondContact O-CB 3.38Å; A21-K25 PolarHBondContact O-N 3.46Å; S22-K25 WeakPolarHBondContact O-CB 2.96Å; S22-K25 PolarHBondContact O-N 3.33Å; S22-K25 VanDerWaalsContact O-N 3.12Å; F23-K25 PolarHBondContact O-N 2.98Å |
| 26 | E | 98.1 | Very high | 97.2 | Very high | 143 Ų | 143 | 106 Ų | 106 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -81.3 | -40.6 | -179.1 | -170.9 | 174.1 | -179.9 | 0 | 0 | 112.9 | S22 F23 R24 | S22-E26 PolarHBondContact O-N 2.95Å; S22-E26 VanDerWaalsContact O-N 3.15Å; F23-E26 PolarHBondContact O-N 2.97Å; R24-E26 VanDerWaalsContact C-N 3.27Å; R24-E26 PolarHBondContact O-N 3.27Å |
| 27 | H | 97.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 107.6 Ų | 107.6 | 33% | 0.333 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -118.2 | 11.9 | -166.5 | -66.5 | -71.2 | 0 | 0 | 0 | 115.7 | F23 K29 S30 | F23-H27 AromaticContact CD2-CD2 3.63Å; F23-H27 HydrophobicContact CE2-CB 4.15Å; F23-H27 AromaticContact CE2-CD2 3.54Å; F23-H27 HydrophobicContact CZ-CB 4.23Å; F23-H27 WeakPolarHBondContact O-CB 3.28Å; F23-H27 PolarHBondContact O-N 3.49Å; H27-K29 PolarHBondContact O-N 2.62Å; H27-S30 WeakPolarHBondContact CB-OG 3.25Å; H27-S30 PolarHBondContact ND1-OG 2.9Å; H27-S30 WeakPolarHBondContact O-CB 2.95Å; H27-S30 PolarHBondContact O-N 3.18Å; H27-S30 PolarHBondContact O-OG 2.91Å |
| 28 | N | 95.8 | Very high | 97.2 | Very high | 115 Ų | 115 | 112.1 Ų | 112.1 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -22.5 | -177 | 57.2 | 7.7 | 0 | 0 | 0 | 116 | R24 | R24-N28 WeakPolarHBondContact O-CA 3.22Å; R24-N28 WeakPolarHBondContact O-CB 3.39Å; R24-N28 PolarHBondContact O-N 3.38Å |
| 29 | K | 97 | Very high | 97.2 | Very high | 189 Ų | 189 | 107.1 Ų | 107.1 | 82% | 0.822 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 3.4 | 178.5 | -67.7 | -179.1 | -178 | -176.7 | 0 | 113.9 | H27 V31 | H27-K29 PolarHBondContact O-N 2.62Å; K29-V31 PolarHBondContact O-N 3.14Å |
| 30 | S | 98 | Very high | 97.1 | Very high | 64 Ų | 64 | 103.3 Ų | 103.3 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | trans | -69.2 | 130.4 | 179.7 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | H27 | H27-S30 WeakPolarHBondContact CB-OG 3.25Å; H27-S30 PolarHBondContact ND1-OG 2.9Å; H27-S30 WeakPolarHBondContact O-CB 2.95Å; H27-S30 PolarHBondContact O-N 3.18Å; H27-S30 PolarHBondContact O-OG 2.91Å | ||
| 31 | V | 97.8 | Very high | 97.2 | Very high | 126 Ų | 126 | 108 Ų | 108 | 76% | 0.764 | 56% | 0.556 | S | S | * | * | trans | -84.5 | 127.5 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | K29 | K29-V31 PolarHBondContact O-N 3.14Š| ||
| 32 | I | 96.5 | Very high | 97.2 | Very high | 115 Ų | 115 | 106.7 Ų | 106.7 | 59% | 0.59 | 55% | 0.549 | S | S | * | . | trans | -110.8 | -1.2 | -176.8 | 64 | 170.2 | 0 | 0 | 0 | 114.3 | K48 | I32-K48 HydrophobicContact CD1-CB 3.94Å; I32-K48 PolarHBondContact O-NZ 2.97Å | ||
| 33 | G | 96.3 | Very high | 97.1 | Very high | 51 Ų | 51 | 106.1 Ų | 106.1 | 53% | 0.526 | 56% | 0.555 | S | S | . | * | trans | 166.8 | 168.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 34 | E | 96.2 | Very high | 97 | Very high | 164 Ų | 164 | 103.8 Ų | 103.8 | 77% | 0.766 | 55% | 0.547 | S | S | * | . | trans | -102.5 | 160.3 | 174 | -62.5 | -177.6 | 162.5 | 0 | 0 | 110.4 | ||||
| 35 | I | 96.9 | Very high | 96.8 | Very high | 124 Ų | 124 | 105 Ų | 105 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | trans | -112 | 123.1 | 172.7 | -61.4 | 172.4 | 0 | 0 | 0 | 107.5 | V40 M47 | I35-V40 HydrophobicContact CG2-CG2 4.19Å; I35-M47 HydrophobicContact CG1-CE 4.22Å; I35-M47 HydrophobicContact CG2-CE 3.93Å | ||
| 36 | T | 96.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 101.4 Ų | 101.4 | 36% | 0.362 | 55% | 0.549 | S | S | . | . | trans | -108.6 | 161.5 | 176.2 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | D38 M39 V40 | T36-D38 VanDerWaalsContact C-N 3.25Å; T36-D38 PolarHBondContact O-N 3.11Å; T36-M39 HydrophobicContact CG2-CE 4.32Å; T36-M39 WeakPolarHBondContact O-CB 3.43Å; T36-M39 PolarHBondContact O-N 2.79Å; T36-M39 VanDerWaalsContact O-N 3.09Å; T36-M39 WeakPolarHBondContact OG1-CG 3.45Å; T36-M39 PolarHBondContact OG1-N 2.59Å; T36-V40 PolarHBondContact O-N 3.01Å | ||
| 37 | I | 96.7 | Very high | 96.3 | Very high | 65 Ų | 65 | 97.1 Ų | 97.1 | 33% | 0.333 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.2 | -40.8 | 175.1 | -67.4 | 174.1 | 0 | 0 | 0 | 111 | M39 V40 Y41 V432 | I37-M39 VanDerWaalsContact C-N 3.28Å; I37-M39 PolarHBondContact O-N 3.46Å; I37-V40 WeakPolarHBondContact O-CB 3.2Å; I37-V40 PolarHBondContact O-N 3.08Å; I37-Y41 HydrophobicContact CG2-CD2 3.63Å; I37-Y41 HydrophobicContact CG2-CE2 3.58Å; I37-Y41 WeakPolarHBondContact O-CD2 3.19Å; I37-Y41 PolarHBondContact O-N 3.32Å; I37-V432 HydrophobicContact CD1-CG1 3.91Å |
| 38 | D | 97.2 | Very high | 96.2 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 71% | 0.711 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -32 | 177.1 | -75.8 | -21.9 | 0 | 0 | 0 | 112.9 | T36 V40 G42 | T36-D38 VanDerWaalsContact C-N 3.25Å; T36-D38 PolarHBondContact O-N 3.11Å; D38-V40 VanDerWaalsContact C-N 3.33Å; D38-G42 VanDerWaalsContact O-CA 3.27Å; D38-G42 WeakPolarHBondContact O-CA 3.28Å; D38-G42 PolarHBondContact O-N 3.14Å |
| 39 | M | 97.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 98.3 Ų | 98.3 | 20% | 0.202 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -68.8 | -34.1 | 173.8 | -66.9 | 174.9 | -175.4 | 0 | 0 | 111.7 | T36 I37 M44 M47 | T36-M39 HydrophobicContact CG2-CE 4.32Å; T36-M39 WeakPolarHBondContact O-CB 3.43Å; T36-M39 PolarHBondContact O-N 2.79Å; T36-M39 VanDerWaalsContact O-N 3.09Å; T36-M39 WeakPolarHBondContact OG1-CG 3.45Å; T36-M39 PolarHBondContact OG1-N 2.59Å; I37-M39 VanDerWaalsContact C-N 3.28Å; I37-M39 PolarHBondContact O-N 3.46Å; M39-M44 WeakPolarHBondContact O-CA 3.49Å; M39-M44 PolarHBondContact O-N 3.05Å; M39-M47 HydrophobicContact CB-CE 3.91Å |
| 40 | V | 96.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 92.1 Ų | 92.1 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -49.2 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | I35 T36 I37 D38 L428 | I35-V40 HydrophobicContact CG2-CG2 4.19Å; T36-V40 PolarHBondContact O-N 3.01Å; I37-V40 WeakPolarHBondContact O-CB 3.2Å; I37-V40 PolarHBondContact O-N 3.08Å; D38-V40 VanDerWaalsContact C-N 3.33Å; V40-L428 HydrophobicContact CG1-CD1 4.36Å |
| 41 | Y | 97.7 | Very high | 96.3 | Very high | 133 Ų | 133 | 92.5 Ų | 92.5 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.7 | -32.8 | 175.6 | -76.3 | -73.1 | 0 | 0 | 0 | 113 | I37 G43 T425 L428 | I37-Y41 HydrophobicContact CG2-CD2 3.63Å; I37-Y41 HydrophobicContact CG2-CE2 3.58Å; I37-Y41 WeakPolarHBondContact O-CD2 3.19Å; I37-Y41 PolarHBondContact O-N 3.32Å; Y41-G43 PolarHBondContact O-N 3.22Å; Y41-T425 WeakPolarHBondContact OH-CB 3.31Å; Y41-T425 WeakPolarHBondContact OH-CG2 3.39Å; Y41-T425 PolarHBondContact OH-OG1 3.26Å; Y41-L428 HydrophobicContact CE2-CD1 3.94Å |
| 42 | G | 96.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 87.9 Ų | 87.9 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 13.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D38 R45 | D38-G42 VanDerWaalsContact O-CA 3.27Å; D38-G42 WeakPolarHBondContact O-CA 3.28Å; D38-G42 PolarHBondContact O-N 3.14Å; G42-R45 WeakPolarHBondContact O-CB 3.45Å |
| 43 | G | 96.6 | Very high | 96.4 | Very high | 63 Ų | 63 | 84.4 Ų | 84.4 | 65% | 0.649 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 46.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y41 R45 | Y41-G43 PolarHBondContact O-N 3.22Å; G43-R45 PolarHBondContact O-N 3.09Å |
| 44 | M | 97.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 82 Ų | 82 | 38% | 0.384 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 61.6 | 24.2 | 179.7 | -50.8 | -174.3 | -172.9 | 0 | 0 | 114.3 | M39 S46 M47 P420 | M39-M44 WeakPolarHBondContact O-CA 3.49Å; M39-M44 PolarHBondContact O-N 3.05Å; M44-S46 PolarHBondContact O-N 3.3Å; M44-M47 HydrophobicContact CB-CB 4.07Å; M44-M47 HydrophobicContact CB-CE 4.35Å; M44-M47 HydrophobicContact CB-SD 4.29Å; M44-M47 HydrophobicContact CG-CE 4.3Å; M44-M47 HydrophobicContact CG-SD 4.26Å; M44-M47 VanDerWaalsContact O-CB 3.24Å; M44-M47 WeakPolarHBondContact O-CB 3.43Å; M44-M47 PolarHBondContact O-N 3.45Å; M44-M47 HydrophobicContact SD-SD 4.49Å; M44-P420 HydrophobicContact CE-CB 4.32Å; M44-P420 HydrophobicContact CE-CG 4.35Å |
| 45 | R | 92.7 | Very high | 96.6 | Very high | 189 Ų | 189 | 74.4 Ų | 74.4 | 71% | 0.713 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 123.6 | 179.2 | -173.8 | -179.9 | -63.3 | -144 | -0.6 | 111.1 | G42 G43 M47 | G42-R45 WeakPolarHBondContact O-CB 3.45Å; G43-R45 PolarHBondContact O-N 3.09Å; R45-M47 PolarHBondContact O-N 3.14Å |
| 46 | S | 89.5 | Confident | 96.7 | Very high | 108 Ų | 108 | 73.4 Ų | 73.4 | 76% | 0.755 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 8.1 | -178.4 | -42.3 | 0 | 0 | 0 | 0 | 115.8 | M44 | M44-S46 PolarHBondContact O-N 3.3Š|
| 47 | M | 95.9 | Very high | 96.7 | Very high | 52 Ų | 52 | 71.8 Ų | 71.8 | 26% | 0.256 | 39% | 0.387 | S | S | . | . | trans | -80.1 | 125.1 | 176.4 | -169.5 | -175 | -63.5 | 0 | 0 | 110.3 | I35 M39 M44 R45 A49 | I35-M47 HydrophobicContact CG1-CE 4.22Å; I35-M47 HydrophobicContact CG2-CE 3.93Å; M39-M47 HydrophobicContact CB-CE 3.91Å; M44-M47 HydrophobicContact CB-CB 4.07Å; M44-M47 HydrophobicContact CB-CE 4.35Å; M44-M47 HydrophobicContact CB-SD 4.29Å; M44-M47 HydrophobicContact CG-CE 4.3Å; M44-M47 HydrophobicContact CG-SD 4.26Å; M44-M47 VanDerWaalsContact O-CB 3.24Å; M44-M47 WeakPolarHBondContact O-CB 3.43Å; M44-M47 PolarHBondContact O-N 3.45Å; M44-M47 HydrophobicContact SD-SD 4.49Å; R45-M47 PolarHBondContact O-N 3.14Å; M47-A49 HydrophobicContact CG-CB 4.26Å; M47-A49 PolarHBondContact O-N 3.15Å; M47-A49 VanDerWaalsContact O-N 3.09Å; M47-A49 HydrophobicContact SD-CB 4.32Å | ||
| 48 | K | 96.1 | Very high | 96.5 | Very high | 151 Ų | 151 | 70.5 Ų | 70.5 | 66% | 0.657 | 38% | 0.381 | S | S | * | . | trans | -79.1 | 89.8 | 172.8 | -59.5 | -171.9 | -168.2 | 77.1 | 0 | 109.4 | I32 | I32-K48 HydrophobicContact CD1-CB 3.94Å; I32-K48 PolarHBondContact O-NZ 2.97Å | ||
| 49 | A | 95.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 66.7 Ų | 66.7 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | trans | -111.1 | -20.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116 | M47 | M47-A49 HydrophobicContact CG-CB 4.26Å; M47-A49 PolarHBondContact O-N 3.15Å; M47-A49 VanDerWaalsContact O-N 3.09Å; M47-A49 HydrophobicContact SD-CB 4.32Å | ||
| 50 | L | 97.9 | Very high | 95.8 | Very high | 60 Ų | 60 | 68.3 Ų | 68.3 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | trans | -141 | 161.1 | -174.2 | 65.6 | 135.5 | 0 | 0 | 0 | 113 | W52 | L50-W52 HydrophobicContact CD1-CE3 4.27Š| ||
| 51 | L | 97.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | trans | -98.1 | 126.3 | 174.5 | -179.3 | 68.8 | 0 | 0 | 0 | 109.8 | E53 L413 L415 | L51-E53 HydrophobicContact CD1-CG 4.4Å; L51-E53 HydrophobicContact CD2-CG 4.32Å; L51-E53 HydrophobicContact CG-CG 4.14Å; L51-L413 HydrophobicContact CD2-CD1 4.19Å; L51-L415 HydrophobicContact CD2-CD2 4.32Å | ||
| 52 | W | 98.7 | Very high | 95.5 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 11% | 0.106 | 35% | 0.35 | C | S | . | . | trans | -136.1 | 118.2 | 173.3 | -161.4 | -93.2 | 0 | 0 | 0 | 108.5 | L50 T54 D235 A243 H247 V403 Q406 | L50-W52 HydrophobicContact CD1-CE3 4.27Å; W52-T54 PolarHBondContact NE1-OG1 2.86Å; W52-D235 WeakPolarHBondContact CZ2-OD1 3.43Å; W52-D235 PolarHBondContact NE1-OD1 2.61Å; W52-D235 VanDerWaalsContact NE1-OD1 3.17Å; W52-D235 PolarHBondContact NE1-OD2 3Å; W52-A243 HydrophobicContact CH2-CB 3.69Å; W52-A243 HydrophobicContact CZ2-CB 3.98Å; W52-A243 HydrophobicContact CZ3-CB 4.04Å; W52-H247 HydrophobicContact CZ3-CB 4.18Å; W52-V403 HydrophobicContact CH2-CB 4.18Å; W52-V403 HydrophobicContact CH2-CG1 3.95Å; W52-V403 HydrophobicContact CZ2-CG1 4.14Å; W52-Q406 HydrophobicContact CD2-CB 4.19Å; W52-Q406 HydrophobicContact CD2-CG 3.66Å; W52-Q406 HydrophobicContact CE3-CB 4.29Å; W52-Q406 HydrophobicContact CE3-CG 3.48Å; W52-Q406 VanDerWaalsContact CE3-CG 3.48Å; W52-Q406 HydrophobicContact CG-CG 4.44Å; W52-Q406 HydrophobicContact CH2-CB 3.61Å; W52-Q406 HydrophobicContact CH2-CG 3.63Å; W52-Q406 HydrophobicContact CZ2-CB 3.53Å; W52-Q406 HydrophobicContact CZ2-CG 3.84Å; W52-Q406 HydrophobicContact CZ3-CB 4.03Å; W52-Q406 HydrophobicContact CZ3-CG 3.47Å; W52-Q406 VanDerWaalsContact CZ3-CG 3.47Å | ||
| 53 | E | 98.3 | Very high | 95.5 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | trans | -100.6 | -17.8 | -165.6 | -67.5 | -86 | -157.9 | 0 | 0 | 112.8 | H16 L51 R66 | H16-E53 IonicContact CD2-OE1 2.68Å; H16-E53 IonicContact CE1-OE1 2.69Å; H16-E53 IonicContact CE1-OE2 3.17Å; H16-E53 IonicContact NE2-OE1 3.99Å; H16-E53 PolarHBondContact NE2-OE1 3.42Å; H16-E53 IonicContact NE2-OE2 3.94Å; L51-E53 HydrophobicContact CD1-CG 4.4Å; L51-E53 HydrophobicContact CD2-CG 4.32Å; L51-E53 HydrophobicContact CG-CG 4.14Å; E53-R66 WeakPolarHBondContact O-CD 3.41Å; E53-R66 PolarHBondContact O-NE 2.89Å; E53-R66 PolarHBondContact O-NH1 3.05Å | ||
| 54 | T | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -84.9 | -29.9 | -170.7 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | W52 R66 L94 D235 A405 Q406 | W52-T54 PolarHBondContact NE1-OG1 2.86Å; T54-R66 PolarHBondContact O-N 2.72Å; T54-L94 HydrophobicContact CG2-CB 4.33Å; T54-L94 WeakPolarHBondContact O-CD2 3.44Å; T54-D235 WeakPolarHBondContact CB-OD2 3.5Å; T54-D235 PolarHBondContact OG1-OD2 3.18Å; T54-A405 HydrophobicContact CG2-CB 3.88Å; T54-Q406 HydrophobicContact CG2-CB 4.12Å |
| 55 | S | 98.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 154 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | K64 D235 E237 | S55-K64 WeakPolarHBondContact CA-O 3.5Å; S55-K64 WeakPolarHBondContact CB-O 3.33Å; S55-D235 VanDerWaalsContact CB-OD2 3.27Å; S55-D235 WeakPolarHBondContact CB-OD2 3.44Å; S55-D235 PolarHBondContact N-OD2 3.2Å; S55-D235 PolarHBondContact OG-OD2 3.5Å; S55-E237 PolarHBondContact OG-N 3.46Å |
| 56 | L | 97.9 | Very high | 95.9 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 137.1 | 177.1 | -171.7 | 72 | 0 | 0 | 0 | 109.6 | K64 E237 | L56-K64 PolarHBondContact N-O 2.85Å; L56-K64 VanDerWaalsContact N-O 3.12Å; L56-K64 PolarHBondContact O-N 3.34Å; L56-E237 WeakPolarHBondContact CD1-OE1 3.27Å |
| 57 | L | 96 | Very high | 96.3 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.4 | 178.8 | -177.9 | 68.7 | 0 | 0 | 0 | 110.7 | I63 E237 V320 L321 | L57-I63 HydrophobicContact CB-CD1 4.38Å; L57-I63 HydrophobicContact CD1-CB 4.4Å; L57-E237 HydrophobicContact CB-CG 4.27Å; L57-E237 PolarHBondContact N-OE1 3.49Å; L57-V320 HydrophobicContact CD2-CB 4.09Å; L57-V320 HydrophobicContact CD2-CG1 3.69Å; L57-L321 HydrophobicContact CD1-CD1 4.3Å; L57-L321 HydrophobicContact CD1-CG 4.22Å |
| 58 | D | 94.4 | Very high | 96.4 | Very high | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.2 | 165.2 | -170.5 | -58.4 | 0 | 0 | 0 | 109.1 | E60 L61 G62 K64 | D58-E60 PolarHBondContact O-N 2.89Å; D58-E60 PolarHBondContact OD1-N 3.32Å; D58-L61 HydrophobicContact CB-CB 3.97Å; D58-L61 PolarHBondContact OD1-N 3.32Å; D58-G62 WeakPolarHBondContact CB-O 3.48Å; D58-G62 PolarHBondContact N-O 3.28Å; D58-G62 VanDerWaalsContact O-CA 3.26Å; D58-G62 WeakPolarHBondContact O-CA 3.39Å; D58-G62 PolarHBondContact O-N 3.35Å; D58-K64 HydrophobicContact CB-CD 4.09Å; D58-K64 HydrophobicContact CB-CG 4.41Å; D58-K64 WeakPolarHBondContact OD2-CE 3.45Å; D58-K64 IonicContact OD2-NZ 3.64Å; D58-K64 PolarHBondContact OD2-NZ 2.85Å |
| 59 | P | 89.6 | Confident | 96.5 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 34% | 0.344 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.8 | -178.4 | -25.4 | 35 | 0 | 0 | 0 | 115 | R322 | P59-R322 PolarHBondContact O-N 3.21Å; P59-R322 VanDerWaalsContact O-N 3.14Å |
| 60 | E | 89.5 | Confident | 96.6 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 35% | 0.346 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -41.3 | -178.6 | -60 | -60.4 | 152.3 | 0 | 0 | 111.7 | D58 R322 Q323 | D58-E60 PolarHBondContact O-N 2.89Å; D58-E60 PolarHBondContact OD1-N 3.32Å; E60-R322 WeakPolarHBondContact OE1-CD 3.42Å; E60-R322 IonicContact OE1-CZ 3.96Å; E60-R322 IonicContact OE1-NE 3.31Å; E60-R322 IonicContact OE1-NH1 2.82Å; E60-R322 PolarHBondContact OE1-NH1 2.84Å; E60-Q323 PolarHBondContact OE2-NE2 3.02Å |
| 61 | L | 91.7 | Very high | 96.5 | Very high | 92 Ų | 92 | 42.8 Ų | 42.8 | 48% | 0.482 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -5.1 | -174.4 | -60.7 | 175.5 | 0 | 0 | 0 | 114.2 | D58 P326 | D58-L61 HydrophobicContact CB-CB 3.97Å; D58-L61 PolarHBondContact OD1-N 3.32Å; L61-P326 WeakPolarHBondContact O-CG 3.4Å |
| 62 | G | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | -162 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D58 K64 | D58-G62 WeakPolarHBondContact CB-O 3.48Å; D58-G62 PolarHBondContact N-O 3.28Å; D58-G62 VanDerWaalsContact O-CA 3.26Å; D58-G62 WeakPolarHBondContact O-CA 3.39Å; D58-G62 PolarHBondContact O-N 3.35Å; G62-K64 PolarHBondContact O-N 3.09Å |
| 63 | I | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132.8 | -174 | -168.5 | 65.3 | 0 | 0 | 0 | 110.8 | L57 F65 I70 H236 E237 R327 | L57-I63 HydrophobicContact CB-CD1 4.38Å; L57-I63 HydrophobicContact CD1-CB 4.4Å; I63-F65 HydrophobicContact CG1-CE1 3.99Å; I63-F65 HydrophobicContact CG2-CE1 4.37Å; I63-F65 HydrophobicContact CG2-CZ 4.18Å; I63-I70 HydrophobicContact CG2-CD1 3.55Å; I63-I70 HydrophobicContact CG2-CG1 4.24Å; I63-H236 HydrophobicContact CD1-CB 4.47Å; I63-E237 HydrophobicContact CD1-CG 4Å; I63-R327 HydrophobicContact CG2-CG 4.36Å |
| 64 | K | 98.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 41.6 Ų | 41.6 | 18% | 0.183 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.9 | 173.8 | -69.2 | 176.5 | 171.6 | 169 | 0 | 110.3 | S55 L56 D58 G62 R68 | S55-K64 WeakPolarHBondContact CA-O 3.5Å; S55-K64 WeakPolarHBondContact CB-O 3.33Å; L56-K64 PolarHBondContact N-O 2.85Å; L56-K64 VanDerWaalsContact N-O 3.12Å; L56-K64 PolarHBondContact O-N 3.34Å; D58-K64 HydrophobicContact CB-CD 4.09Å; D58-K64 HydrophobicContact CB-CG 4.41Å; D58-K64 WeakPolarHBondContact OD2-CE 3.45Å; D58-K64 IonicContact OD2-NZ 3.64Å; D58-K64 PolarHBondContact OD2-NZ 2.85Å; G62-K64 PolarHBondContact O-N 3.09Å; K64-R68 CarbonylContact C-O 3.53Å; K64-R68 WeakPolarHBondContact CA-O 3.26Å |
| 65 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.6 | 172.1 | -55.8 | -47.6 | 0 | 0 | 0 | 108.7 | I63 D67 R68 I70 V73 I90 L93 L94 D235 | I63-F65 HydrophobicContact CG1-CE1 3.99Å; I63-F65 HydrophobicContact CG2-CE1 4.37Å; I63-F65 HydrophobicContact CG2-CZ 4.18Å; F65-D67 VanDerWaalsContact C-N 3.34Å; F65-D67 PolarHBondContact O-N 2.77Å; F65-R68 PolarHBondContact N-O 3.27Å; F65-R68 PolarHBondContact O-N 3.23Å; F65-R68 VanDerWaalsContact O-N 3.12Å; F65-I70 HydrophobicContact CD2-CG1 4.48Å; F65-I70 HydrophobicContact CE2-CG1 3.85Å; F65-I70 HydrophobicContact CZ-CG1 4.44Å; F65-V73 HydrophobicContact CB-CG2 4.26Å; F65-V73 HydrophobicContact CD2-CG1 4.38Å; F65-V73 HydrophobicContact CD2-CG2 4.15Å; F65-I90 HydrophobicContact CB-CD1 4.01Å; F65-I90 HydrophobicContact CD2-CD1 3.81Å; F65-I90 HydrophobicContact CG-CD1 4.03Å; F65-L93 HydrophobicContact CB-CD2 4.37Å; F65-L94 HydrophobicContact CB-CD2 4Å; F65-L94 HydrophobicContact CD1-CD2 4.16Å; F65-L94 HydrophobicContact CG-CD2 4.32Å; F65-D235 HydrophobicContact CD1-CB 4.44Å; F65-D235 HydrophobicContact CE1-CB 4.15Å; F65-D235 WeakPolarHBondContact CE1-O 3.34Å |
| 66 | R | 98.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 57.8 | -173.1 | -64.1 | -69.1 | -164.2 | 172.7 | 3.5 | 111.9 | E53 T54 R68 L93 L94 W409 | E53-R66 WeakPolarHBondContact O-CD 3.41Å; E53-R66 PolarHBondContact O-NE 2.89Å; E53-R66 PolarHBondContact O-NH1 3.05Å; T54-R66 PolarHBondContact O-N 2.72Å; R66-R68 PolarHBondContact O-N 2.77Å; R66-R68 VanDerWaalsContact O-N 3.15Å; R66-R68 PolarHBondContact O-NH1 3.01Å; R66-L93 HydrophobicContact CB-CD1 4.13Å; R66-L93 HydrophobicContact CB-CG 4.35Å; R66-L93 HydrophobicContact CG-CG 4.49Å; R66-L93 WeakPolarHBondContact CG-O 3.31Å; R66-L94 VanDerWaalsContact CZ-O 3.29Å; R66-L94 PolarHBondContact NE-O 3.05Å; R66-L94 PolarHBondContact NH2-O 2.84Å; R66-W409 VanDerWaalsContact NH2-CD1 3.3Å |
| 67 | D | 97.5 | Very high | 96.4 | Very high | 133 Ų | 133 | 49.7 Ų | 49.7 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 11.4 | 179.8 | -59.1 | -44.7 | 0 | 0 | 0 | 116.7 | F65 | F65-D67 VanDerWaalsContact C-N 3.34Å; F65-D67 PolarHBondContact O-N 2.77Å |
| 68 | R | 98.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.6 | 177.1 | -64 | 167.3 | -179.9 | 84.3 | -9.2 | 110.9 | K64 F65 R66 E72 V73 G97 | K64-R68 CarbonylContact C-O 3.53Å; K64-R68 WeakPolarHBondContact CA-O 3.26Å; F65-R68 PolarHBondContact N-O 3.27Å; F65-R68 PolarHBondContact O-N 3.23Å; F65-R68 VanDerWaalsContact O-N 3.12Å; R66-R68 PolarHBondContact O-N 2.77Å; R66-R68 VanDerWaalsContact O-N 3.15Å; R66-R68 PolarHBondContact O-NH1 3.01Å; R68-E72 HydrophobicContact CB-CB 4.36Å; R68-V73 HydrophobicContact CB-CG2 3.69Å; R68-G97 PolarHBondContact NH1-O 3.33Å; R68-G97 PolarHBondContact NH2-O 3Å |
| 69 | S | 97.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 160.8 | 173.5 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | E72 V73 | S69-E72 WeakPolarHBondContact CB-OE2 3.48Å; S69-E72 PolarHBondContact N-OE2 2.83Å; S69-E72 WeakPolarHBondContact O-CB 3.46Å; S69-E72 PolarHBondContact O-N 2.91Å; S69-E72 VanDerWaalsContact O-N 3.13Å; S69-E72 VanDerWaalsContact OG-CD 3.26Å; S69-E72 VanDerWaalsContact OG-CG 3.28Å; S69-E72 WeakPolarHBondContact OG-CG 3.4Å; S69-E72 PolarHBondContact OG-OE2 2.76Å; S69-V73 WeakPolarHBondContact O-CG2 3.46Å; S69-V73 PolarHBondContact O-N 3.29Å |
| 70 | I | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 178.1 | -72.3 | 162.4 | 0 | 0 | 0 | 113 | I63 F65 E72 V73 L74 I232 P326 R327 C330 | I63-I70 HydrophobicContact CG2-CD1 3.55Å; I63-I70 HydrophobicContact CG2-CG1 4.24Å; F65-I70 HydrophobicContact CD2-CG1 4.48Å; F65-I70 HydrophobicContact CE2-CG1 3.85Å; F65-I70 HydrophobicContact CZ-CG1 4.44Å; I70-E72 VanDerWaalsContact C-N 3.28Å; I70-E72 PolarHBondContact O-N 3.23Å; I70-V73 PolarHBondContact O-N 3.3Å; I70-L74 HydrophobicContact CG2-CD1 3.84Å; I70-L74 HydrophobicContact CG2-CG 4.23Å; I70-L74 WeakPolarHBondContact O-CG 3.4Å; I70-L74 PolarHBondContact O-N 3.18Å; I70-I232 HydrophobicContact CG2-CG2 4.28Å; I70-P326 HydrophobicContact CB-CB 4.2Å; I70-P326 HydrophobicContact CD1-CB 4.11Å; I70-R327 HydrophobicContact CD1-CB 4.25Å; I70-R327 HydrophobicContact CD1-CG 3.13Å; I70-C330 HydrophobicContact CG2-CB 4.49Å |
| 71 | P | 96.7 | Very high | 97.2 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.5 | -25.7 | 35.7 | 0 | 0 | 0 | 113.3 | K75 | P71-K75 VanDerWaalsContact O-CB 3.29Å; P71-K75 WeakPolarHBondContact O-CB 3.21Å; P71-K75 PolarHBondContact O-N 3.32Å; P71-K75 VanDerWaalsContact O-N 3.16Å |
| 72 | E | 97.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 48 Ų | 48 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 175.9 | -69.2 | 167.7 | 130.8 | 0 | 0 | 111.3 | R68 S69 I70 K75 Q76 | R68-E72 HydrophobicContact CB-CB 4.36Å; S69-E72 WeakPolarHBondContact CB-OE2 3.48Å; S69-E72 PolarHBondContact N-OE2 2.83Å; S69-E72 WeakPolarHBondContact O-CB 3.46Å; S69-E72 PolarHBondContact O-N 2.91Å; S69-E72 VanDerWaalsContact O-N 3.13Å; S69-E72 VanDerWaalsContact OG-CD 3.26Å; S69-E72 VanDerWaalsContact OG-CG 3.28Å; S69-E72 WeakPolarHBondContact OG-CG 3.4Å; S69-E72 PolarHBondContact OG-OE2 2.76Å; I70-E72 VanDerWaalsContact C-N 3.28Å; I70-E72 PolarHBondContact O-N 3.23Å; E72-K75 PolarHBondContact O-N 3.45Å; E72-Q76 VanDerWaalsContact O-CB 3.25Å; E72-Q76 WeakPolarHBondContact O-CB 3.44Å; E72-Q76 WeakPolarHBondContact O-CG 3.2Å; E72-Q76 PolarHBondContact O-N 3.01Å |
| 73 | V | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -52.2 | 178.3 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | F65 R68 S69 I70 K75 Q76 L77 I90 L93 | F65-V73 HydrophobicContact CB-CG2 4.26Å; F65-V73 HydrophobicContact CD2-CG1 4.38Å; F65-V73 HydrophobicContact CD2-CG2 4.15Å; R68-V73 HydrophobicContact CB-CG2 3.69Å; S69-V73 WeakPolarHBondContact O-CG2 3.46Å; S69-V73 PolarHBondContact O-N 3.29Å; I70-V73 PolarHBondContact O-N 3.3Å; V73-K75 PolarHBondContact O-N 2.98Å; V73-Q76 PolarHBondContact O-N 2.59Å; V73-Q76 VanDerWaalsContact O-N 3.16Å; V73-L77 HydrophobicContact CG1-CD1 3.64Å; V73-L77 HydrophobicContact CG1-CG 4.01Å; V73-L77 WeakPolarHBondContact O-CB 3.27Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.35Å; V73-L77 PolarHBondContact O-N 2.89Å; V73-I90 HydrophobicContact CG1-CD1 3.87Å; V73-L93 HydrophobicContact CG1-CD2 4.38Å; V73-L93 HydrophobicContact CG2-CD2 3.84Å |
| 74 | L | 97.9 | Very high | 97.5 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -33.7 | -179.5 | -67 | 175.7 | 0 | 0 | 0 | 112.2 | I70 P85 L228 I231 C330 | I70-L74 HydrophobicContact CG2-CD1 3.84Å; I70-L74 HydrophobicContact CG2-CG 4.23Å; I70-L74 WeakPolarHBondContact O-CG 3.4Å; I70-L74 PolarHBondContact O-N 3.18Å; L74-P85 HydrophobicContact CD2-CG 3.98Å; L74-L228 HydrophobicContact CD1-CD1 3.82Å; L74-L228 HydrophobicContact CD2-CD1 3.95Å; L74-I231 HydrophobicContact CD2-CD1 4.39Å; L74-I231 HydrophobicContact CD2-CG2 4.1Å; L74-C330 HydrophobicContact CD1-CB 4.03Å |
| 75 | K | 97.6 | Very high | 97.5 | Very high | 188 Ų | 188 | 50.5 Ų | 50.5 | 82% | 0.817 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -74.5 | -34.9 | 176.4 | -176.9 | 177.4 | 178.2 | -179.5 | 0 | 113.4 | P71 E72 V73 | P71-K75 VanDerWaalsContact O-CB 3.29Å; P71-K75 WeakPolarHBondContact O-CB 3.21Å; P71-K75 PolarHBondContact O-N 3.32Å; P71-K75 VanDerWaalsContact O-N 3.16Å; E72-K75 PolarHBondContact O-N 3.45Å; V73-K75 PolarHBondContact O-N 2.98Å |
| 76 | Q | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -88.2 | -30.1 | -173.3 | -72.8 | 175.1 | 5 | 0 | 0 | 113.2 | E72 V73 V99 | E72-Q76 VanDerWaalsContact O-CB 3.25Å; E72-Q76 WeakPolarHBondContact O-CB 3.44Å; E72-Q76 WeakPolarHBondContact O-CG 3.2Å; E72-Q76 PolarHBondContact O-N 3.01Å; V73-Q76 PolarHBondContact O-N 2.59Å; V73-Q76 VanDerWaalsContact O-N 3.16Å; Q76-V99 HydrophobicContact CB-CG1 4.04Å; Q76-V99 HydrophobicContact CB-CG2 4.07Å; Q76-V99 VanDerWaalsContact O-CG1 3.3Å; Q76-V99 WeakPolarHBondContact O-CG1 3.23Å; Q76-V99 VanDerWaalsContact OE1-CG2 3.31Å |
| 77 | L | 98.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -67.9 | 135 | -179.2 | -71.3 | -177.1 | 0 | 0 | 0 | 111.5 | V73 T79 P85 G89 I90 P100 I231 | V73-L77 HydrophobicContact CG1-CD1 3.64Å; V73-L77 HydrophobicContact CG1-CG 4.01Å; V73-L77 WeakPolarHBondContact O-CB 3.27Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.35Å; V73-L77 PolarHBondContact O-N 2.89Å; L77-T79 PolarHBondContact O-N 3.38Å; L77-P85 HydrophobicContact CB-CB 3.61Å; L77-P85 HydrophobicContact CB-CG 3.95Å; L77-P85 HydrophobicContact CD1-CB 4.39Å; L77-P85 HydrophobicContact CD1-CG 4.34Å; L77-G89 WeakPolarHBondContact CD2-O 3.35Å; L77-I90 HydrophobicContact CD1-CB 4.01Å; L77-P100 HydrophobicContact CD2-CG 4.05Å; L77-I231 HydrophobicContact CD1-CD1 4.23Å |
| 78 | P | 98.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 43 Ų | 43 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | trans | -62.1 | 130.5 | 176 | -21.7 | 32 | 0 | 0 | 0 | 112 | L80 P86 P100 A102 V105 | P78-L80 HydrophobicContact CB-CD2 4.27Å; P78-P86 VanDerWaalsContact O-CD 3.28Å; P78-P86 WeakPolarHBondContact O-CD 3.49Å; P78-P100 WeakPolarHBondContact CD-O 3.3Å; P78-P100 WeakPolarHBondContact CG-O 3.25Å; P78-A102 HydrophobicContact CB-CB 4.2Å; P78-V105 HydrophobicContact CB-CG2 4.2Å; P78-V105 HydrophobicContact CG-CG2 3.87Å | ||
| 79 | T | 97.7 | Very high | 97.6 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 33% | 0.331 | 23% | 0.229 | S | C | . | . | trans | -85.1 | -18.2 | 177.3 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | L77 G81 S82 P85 | L77-T79 PolarHBondContact O-N 3.38Å; T79-G81 PolarHBondContact O-N 3.27Å; T79-S82 VanDerWaalsContact CB-O 3.28Å; T79-S82 WeakPolarHBondContact CB-O 3.37Å; T79-S82 PolarHBondContact O-N 3.49Å; T79-S82 VanDerWaalsContact O-N 3.11Å; T79-S82 PolarHBondContact O-OG 3.36Å; T79-S82 PolarHBondContact OG1-O 3.07Å; T79-P85 HydrophobicContact CG2-CB 4.49Å | ||
| 80 | L | 95 | Very high | 97.6 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 38% | 0.377 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 27.9 | -174.9 | -50.9 | -173.7 | 0 | 0 | 0 | 113.6 | P78 P86 A102 V105 | P78-L80 HydrophobicContact CB-CD2 4.27Å; L80-P86 HydrophobicContact CD1-CG 4.32Å; L80-P86 HydrophobicContact CG-CG 4.44Å; L80-A102 HydrophobicContact CD2-CB 3.63Å; L80-V105 HydrophobicContact CD1-CB 4.18Å; L80-V105 HydrophobicContact CD1-CG1 3.7Å; L80-V105 HydrophobicContact CG-CG1 4.29Å |
| 81 | G | 94.4 | Very high | 97.7 | Very high | 78 Ų | 78 | 39.4 Ų | 39.4 | 80% | 0.804 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -2.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T79 | T79-G81 PolarHBondContact O-N 3.27Š|
| 82 | S | 96.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -81.7 | 172.8 | 169.2 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | T79 E84 E224 | T79-S82 VanDerWaalsContact CB-O 3.28Å; T79-S82 WeakPolarHBondContact CB-O 3.37Å; T79-S82 PolarHBondContact O-N 3.49Å; T79-S82 VanDerWaalsContact O-N 3.11Å; T79-S82 PolarHBondContact O-OG 3.36Å; T79-S82 PolarHBondContact OG1-O 3.07Å; S82-E84 WeakPolarHBondContact CB-O 3.41Å; S82-E84 PolarHBondContact OG-O 3.11Å; S82-E224 WeakPolarHBondContact CB-OE1 3.44Å |
| 83 | N | 96.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 31.5 Ų | 31.5 | 43% | 0.433 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -79.2 | -40.4 | 173 | -69.2 | -56.1 | 0 | 0 | 0 | 111.9 | E224 F338 | N83-E224 HydrophobicContact CB-CG 4.04Å; N83-E224 WeakPolarHBondContact CB-OE2 3.49Å; N83-E224 PolarHBondContact N-OE1 2.88Å; N83-E224 PolarHBondContact N-OE2 3.32Å; N83-F338 HydrophobicContact CB-CE2 4.48Å; N83-F338 HydrophobicContact CB-CZ 3.95Å |
| 84 | E | 98 | Very high | 97.9 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -113 | 139.4 | 178 | -59.9 | -56.9 | 149.4 | 0 | 0 | 110 | S82 E224 R227 L228 F334 R337 | S82-E84 WeakPolarHBondContact CB-O 3.41Å; S82-E84 PolarHBondContact OG-O 3.11Å; E84-E224 HydrophobicContact CG-CB 4.25Å; E84-E224 PolarHBondContact N-OE2 3.45Å; E84-R227 HydrophobicContact CB-CB 4.07Å; E84-R227 WeakPolarHBondContact O-CD 2.9Å; E84-L228 HydrophobicContact CB-CB 4.48Å; E84-L228 HydrophobicContact CG-CB 4.19Å; E84-F334 HydrophobicContact CG-CD2 4.2Å; E84-F334 HydrophobicContact CG-CE2 4.23Å; E84-R337 IonicContact OE1-CZ 2.59Å; E84-R337 IonicContact OE1-NH1 3.13Å; E84-R337 PolarHBondContact OE1-NH1 3.39Å; E84-R337 IonicContact OE1-NH2 2.7Å |
| 85 | P | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.013 | 17% | 0.172 | C | C | . | . | trans | -64.9 | 146.3 | -174.3 | 22.3 | -29.1 | 0 | 0 | 0 | 112.7 | L74 L77 T79 I231 | L74-P85 HydrophobicContact CD2-CG 3.98Å; L77-P85 HydrophobicContact CB-CB 3.61Å; L77-P85 HydrophobicContact CB-CG 3.95Å; L77-P85 HydrophobicContact CD1-CB 4.39Å; L77-P85 HydrophobicContact CD1-CG 4.34Å; T79-P85 HydrophobicContact CG2-CB 4.49Å; P85-I231 HydrophobicContact CB-CD1 4.2Å; P85-I231 HydrophobicContact CG-CD1 3.69Å; P85-I231 WeakPolarHBondContact O-CD1 3.28Å | ||
| 86 | P | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | trans | -63.4 | 146 | 173 | -21 | 32.9 | 0 | 0 | 0 | 112.7 | P78 L80 E88 G89 V105 D206 | P78-P86 VanDerWaalsContact O-CD 3.28Å; P78-P86 WeakPolarHBondContact O-CD 3.49Å; L80-P86 HydrophobicContact CD1-CG 4.32Å; L80-P86 HydrophobicContact CG-CG 4.44Å; P86-E88 WeakPolarHBondContact CB-OE2 3.41Å; P86-E88 PolarHBondContact O-N 3.48Å; P86-G89 PolarHBondContact O-N 3.17Å; P86-V105 HydrophobicContact CB-CG1 4.33Å; P86-V105 HydrophobicContact CG-CG1 4.42Å; P86-D206 HydrophobicContact CB-CB 3.99Å; P86-D206 HydrophobicContact CG-CB 4.35Å | ||
| 87 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.9 | -18.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | G89 I90 F91 W207 L230 I231 L401 | A87-G89 PolarHBondContact O-N 3.07Å; A87-I90 HydrophobicContact CB-CG2 4.47Å; A87-I90 WeakPolarHBondContact O-CG2 3.12Å; A87-I90 PolarHBondContact O-N 3.4Å; A87-F91 PolarHBondContact O-N 3Å; A87-W207 HydrophobicContact CB-CE3 3.99Å; A87-W207 HydrophobicContact CB-CZ3 4.36Å; A87-L230 HydrophobicContact CB-CB 3.98Å; A87-L230 HydrophobicContact CB-CD1 4.48Å; A87-I231 HydrophobicContact CB-CG1 4.44Å; A87-L401 HydrophobicContact CB-CD1 4.08Å |
| 88 | E | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.2 | -38 | 170 | -63.6 | 93.4 | 145.3 | 0 | 0 | 111.1 | P86 I90 F91 W92 V105 L108 R109 F112 D206 W207 | P86-E88 WeakPolarHBondContact CB-OE2 3.41Å; P86-E88 PolarHBondContact O-N 3.48Å; E88-I90 PolarHBondContact O-N 2.99Å; E88-F91 PolarHBondContact O-N 3.05Å; E88-W92 PolarHBondContact O-N 3.25Å; E88-W92 VanDerWaalsContact O-N 3.09Å; E88-V105 HydrophobicContact CB-CG1 4.03Å; E88-L108 HydrophobicContact CB-CB 4.26Å; E88-L108 HydrophobicContact CB-CD2 3.91Å; E88-L108 HydrophobicContact CB-CG 4.06Å; E88-L108 HydrophobicContact CG-CG 4.31Å; E88-L108 WeakPolarHBondContact O-CD2 3.38Å; E88-R109 HydrophobicContact CG-CB 4.38Å; E88-F112 HydrophobicContact CG-CD2 3.74Å; E88-F112 HydrophobicContact CG-CE2 3.92Å; E88-D206 WeakPolarHBondContact OE1-CA 3.47Å; E88-D206 WeakPolarHBondContact OE1-CB 3.28Å; E88-W207 WeakPolarHBondContact OE1-CB 3.46Å; E88-W207 PolarHBondContact OE1-N 3.23Å |
| 89 | G | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L77 P86 A87 W92 L93 | L77-G89 WeakPolarHBondContact CD2-O 3.35Å; P86-G89 PolarHBondContact O-N 3.17Å; A87-G89 PolarHBondContact O-N 3.07Å; G89-W92 PolarHBondContact O-N 2.97Å; G89-L93 PolarHBondContact O-N 3.42Å; G89-L93 VanDerWaalsContact O-N 3.14Å |
| 90 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.4 | -172.6 | 54.8 | 0 | 0 | 0 | 111.2 | F65 V73 L77 A87 E88 W92 L93 L94 I231 L401 | F65-I90 HydrophobicContact CB-CD1 4.01Å; F65-I90 HydrophobicContact CD2-CD1 3.81Å; F65-I90 HydrophobicContact CG-CD1 4.03Å; V73-I90 HydrophobicContact CG1-CD1 3.87Å; L77-I90 HydrophobicContact CD1-CB 4.01Å; A87-I90 HydrophobicContact CB-CG2 4.47Å; A87-I90 WeakPolarHBondContact O-CG2 3.12Å; A87-I90 PolarHBondContact O-N 3.4Å; E88-I90 PolarHBondContact O-N 2.99Å; I90-W92 VanDerWaalsContact C-N 3.32Å; I90-W92 PolarHBondContact O-N 3.28Å; I90-L93 HydrophobicContact CD1-CB 4.35Å; I90-L93 HydrophobicContact CD1-CD2 3.89Å; I90-L93 HydrophobicContact CD1-CG 4.49Å; I90-L93 WeakPolarHBondContact O-CB 3.38Å; I90-L93 PolarHBondContact O-N 3.39Å; I90-L93 VanDerWaalsContact O-N 3.14Å; I90-L94 HydrophobicContact CD1-CD2 4.41Å; I90-L94 HydrophobicContact CD1-CG 4.19Å; I90-L94 HydrophobicContact CG1-CD1 4.08Å; I90-L94 HydrophobicContact CG1-CG 4.19Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 3.12Å; I90-I231 HydrophobicContact CB-CG1 4.2Å; I90-I231 HydrophobicContact CB-CG2 4.34Å; I90-I231 HydrophobicContact CG1-CG2 4.34Å; I90-I231 HydrophobicContact CG2-CB 4.38Å; I90-I231 HydrophobicContact CG2-CG1 3.75Å; I90-L401 HydrophobicContact CG2-CD1 3.98Å |
| 91 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.4 | -174.2 | -110.2 | 0 | 0 | 0 | 112 | L5 A87 E88 L93 L94 C95 L108 F112 L174 I177 L401 M404 A405 I408 | L5-F91 HydrophobicContact CD2-CD1 4.16Å; L5-F91 HydrophobicContact CD2-CE1 3.9Å; A87-F91 PolarHBondContact O-N 3Å; E88-F91 PolarHBondContact O-N 3.05Å; F91-L93 PolarHBondContact O-N 2.83Å; F91-L94 PolarHBondContact O-N 3.22Å; F91-C95 VanDerWaalsContact CZ-SG 3.52Å; F91-C95 WeakPolarHBondContact O-CB 3.43Å; F91-C95 PolarHBondContact O-N 3.26Å; F91-C95 PolarHBondContact O-SG 3.04Å; F91-C95 VanDerWaalsContact O-SG 3.41Å; F91-L108 HydrophobicContact CB-CD2 4.4Å; F91-L108 HydrophobicContact CD1-CD2 3.97Å; F91-F112 HydrophobicContact CD1-CE1 4.46Å; F91-F112 AromaticContact CD1-CZ 3.87Å; F91-F112 HydrophobicContact CD1-CZ 3.87Å; F91-F112 HydrophobicContact CE1-CZ 4.33Å; F91-F112 HydrophobicContact CG-CZ 4.28Å; F91-L174 HydrophobicContact CE1-CD1 3.85Å; F91-L174 HydrophobicContact CE1-CG 4.48Å; F91-L174 HydrophobicContact CZ-CD1 4.12Å; F91-I177 HydrophobicContact CD2-CD1 3.88Å; F91-I177 HydrophobicContact CE1-CD1 4.22Å; F91-I177 HydrophobicContact CE2-CD1 3.31Å; F91-I177 HydrophobicContact CZ-CD1 3.5Å; F91-I177 VanDerWaalsContact CZ-CD1 3.5Å; F91-L401 HydrophobicContact CB-CD2 4.2Å; F91-L401 HydrophobicContact CD2-CB 4.16Å; F91-L401 HydrophobicContact CD2-CD2 4.09Å; F91-L401 WeakPolarHBondContact CD2-O 3.29Å; F91-L401 WeakPolarHBondContact CE2-O 3.46Å; F91-L401 HydrophobicContact CG-CD2 4.35Å; F91-M404 HydrophobicContact CE2-CB 4.49Å; F91-A405 HydrophobicContact CD2-CB 4.49Å; F91-A405 HydrophobicContact CE2-CB 4.08Å; F91-I408 HydrophobicContact CZ-CD1 4.43Å |
| 92 | W | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 173.1 | -174.8 | -71.1 | 0 | 0 | 0 | 111.8 | L5 V8 E88 G89 I90 C95 T96 P100 Q104 L108 | L5-W92 HydrophobicContact CB-CE3 4.03Å; L5-W92 HydrophobicContact CB-CH2 4.18Å; L5-W92 HydrophobicContact CB-CZ3 3.66Å; L5-W92 HydrophobicContact CD1-CD2 3.85Å; L5-W92 HydrophobicContact CD1-CE3 3.8Å; L5-W92 HydrophobicContact CD1-CG 4.33Å; L5-W92 HydrophobicContact CD1-CH2 4.36Å; L5-W92 HydrophobicContact CD1-CZ2 4.42Å; L5-W92 HydrophobicContact CD1-CZ3 4.08Å; L5-W92 HydrophobicContact CG-CE3 4.38Å; L5-W92 HydrophobicContact CG-CZ3 4.44Å; V8-W92 HydrophobicContact CB-CZ2 4.19Å; V8-W92 HydrophobicContact CG1-CZ2 4.2Å; V8-W92 HydrophobicContact CG2-CH2 4.14Å; V8-W92 HydrophobicContact CG2-CZ2 3.93Å; E88-W92 PolarHBondContact O-N 3.25Å; E88-W92 VanDerWaalsContact O-N 3.09Å; G89-W92 PolarHBondContact O-N 2.97Å; I90-W92 VanDerWaalsContact C-N 3.32Å; I90-W92 PolarHBondContact O-N 3.28Å; W92-C95 PolarHBondContact O-N 2.95Å; W92-T96 VanDerWaalsContact CD1-OG1 3.23Å; W92-T96 PolarHBondContact NE1-OG1 3.17Å; W92-T96 WeakPolarHBondContact O-CB 3.4Å; W92-T96 WeakPolarHBondContact O-CG2 3.36Å; W92-T96 PolarHBondContact O-N 3.44Å; W92-T96 PolarHBondContact O-OG1 3.08Å; W92-P100 HydrophobicContact CB-CB 4Å; W92-P100 HydrophobicContact CB-CG 3.97Å; W92-P100 HydrophobicContact CD2-CB 4.01Å; W92-P100 HydrophobicContact CG-CB 3.6Å; W92-P100 HydrophobicContact CG-CG 4.05Å; W92-Q104 HydrophobicContact CD2-CB 4.2Å; W92-Q104 HydrophobicContact CE3-CB 3.89Å; W92-Q104 HydrophobicContact CE3-CG 4.44Å; W92-Q104 HydrophobicContact CH2-CB 3.85Å; W92-Q104 HydrophobicContact CH2-CG 3.47Å; W92-Q104 VanDerWaalsContact CH2-CG 3.47Å; W92-Q104 HydrophobicContact CZ2-CB 4.12Å; W92-Q104 HydrophobicContact CZ2-CG 3.71Å; W92-Q104 HydrophobicContact CZ3-CB 3.7Å; W92-Q104 HydrophobicContact CZ3-CG 3.85Å; W92-L108 HydrophobicContact CB-CD2 4.4Å |
| 93 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -49.9 | 177.8 | 174.6 | 63.2 | 0 | 0 | 0 | 110.8 | F65 R66 V73 G89 I90 F91 C95 T96 G97 D98 | F65-L93 HydrophobicContact CB-CD2 4.37Å; R66-L93 HydrophobicContact CB-CD1 4.13Å; R66-L93 HydrophobicContact CB-CG 4.35Å; R66-L93 HydrophobicContact CG-CG 4.49Å; R66-L93 WeakPolarHBondContact CG-O 3.31Å; V73-L93 HydrophobicContact CG1-CD2 4.38Å; V73-L93 HydrophobicContact CG2-CD2 3.84Å; G89-L93 PolarHBondContact O-N 3.42Å; G89-L93 VanDerWaalsContact O-N 3.14Å; I90-L93 HydrophobicContact CD1-CB 4.35Å; I90-L93 HydrophobicContact CD1-CD2 3.89Å; I90-L93 HydrophobicContact CD1-CG 4.49Å; I90-L93 WeakPolarHBondContact O-CB 3.38Å; I90-L93 PolarHBondContact O-N 3.39Å; I90-L93 VanDerWaalsContact O-N 3.14Å; F91-L93 PolarHBondContact O-N 2.83Å; L93-C95 VanDerWaalsContact C-N 3.3Å; L93-C95 PolarHBondContact O-N 3.01Å; L93-T96 PolarHBondContact O-N 3.41Å; L93-G97 WeakPolarHBondContact O-CA 3.37Å; L93-G97 PolarHBondContact O-N 2.98Å; L93-D98 WeakPolarHBondContact CA-O 3.3Å |
| 94 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -39.9 | 179.6 | -63.1 | 170.4 | 0 | 0 | 0 | 111.7 | T54 F65 R66 I90 F91 C234 L401 A405 | T54-L94 HydrophobicContact CG2-CB 4.33Å; T54-L94 WeakPolarHBondContact O-CD2 3.44Å; F65-L94 HydrophobicContact CB-CD2 4Å; F65-L94 HydrophobicContact CD1-CD2 4.16Å; F65-L94 HydrophobicContact CG-CD2 4.32Å; R66-L94 VanDerWaalsContact CZ-O 3.29Å; R66-L94 PolarHBondContact NE-O 3.05Å; R66-L94 PolarHBondContact NH2-O 2.84Å; I90-L94 HydrophobicContact CD1-CD2 4.41Å; I90-L94 HydrophobicContact CD1-CG 4.19Å; I90-L94 HydrophobicContact CG1-CD1 4.08Å; I90-L94 HydrophobicContact CG1-CG 4.19Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 3.12Å; F91-L94 PolarHBondContact O-N 3.22Å; L94-C234 HydrophobicContact CD1-CB 4.46Å; L94-L401 HydrophobicContact CD1-CB 4.47Å; L94-A405 HydrophobicContact CB-CB 3.78Å |
| 95 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.6 | -35.8 | 178.3 | -77.8 | 0 | 0 | 0 | 0 | 113.7 | L5 M9 F91 W92 L93 W409 | L5-C95 HydrophobicContact CD1-CB 4.01Å; M9-C95 HydrophobicContact CE-CB 4.26Å; M9-C95 HydrophobicContact CG-CB 4.33Å; M9-C95 HydrophobicContact SD-CB 3.75Å; F91-C95 VanDerWaalsContact CZ-SG 3.52Å; F91-C95 WeakPolarHBondContact O-CB 3.43Å; F91-C95 PolarHBondContact O-N 3.26Å; F91-C95 PolarHBondContact O-SG 3.04Å; F91-C95 VanDerWaalsContact O-SG 3.41Å; W92-C95 PolarHBondContact O-N 2.95Å; L93-C95 VanDerWaalsContact C-N 3.3Å; L93-C95 PolarHBondContact O-N 3.01Å; C95-W409 PolarHBondContact O-NE1 3.42Å |
| 96 | T | 98.5 | Very high | 98.5 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -115.1 | -20.9 | -166.4 | 64.9 | 0 | 0 | 0 | 0 | 115.3 | L5 V8 M9 W92 L93 D98 | L5-T96 HydrophobicContact CD1-CG2 3.48Å; L5-T96 VanDerWaalsContact CD1-CG2 3.48Å; V8-T96 HydrophobicContact CG1-CG2 3.8Å; M9-T96 HydrophobicContact CG-CG2 4.28Å; W92-T96 VanDerWaalsContact CD1-OG1 3.23Å; W92-T96 PolarHBondContact NE1-OG1 3.17Å; W92-T96 WeakPolarHBondContact O-CB 3.4Å; W92-T96 WeakPolarHBondContact O-CG2 3.36Å; W92-T96 PolarHBondContact O-N 3.44Å; W92-T96 PolarHBondContact O-OG1 3.08Å; L93-T96 PolarHBondContact O-N 3.41Å; T96-D98 PolarHBondContact O-N 3.32Å; T96-D98 PolarHBondContact OG1-N 3.32Å; T96-D98 VanDerWaalsContact OG1-N 3.14Å; T96-D98 PolarHBondContact OG1-O 3.07Å |
| 97 | G | 98.3 | Very high | 98.5 | Very high | 18 Ų | 18 | 24.5 Ų | 24.5 | 19% | 0.186 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 78.2 | -6.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R68 L93 | R68-G97 PolarHBondContact NH1-O 3.33Å; R68-G97 PolarHBondContact NH2-O 3Å; L93-G97 WeakPolarHBondContact O-CA 3.37Å; L93-G97 PolarHBondContact O-N 2.98Å |
| 98 | D | 98 | Very high | 98.5 | Very high | 57 Ų | 57 | 24.8 Ų | 24.8 | 31% | 0.305 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -106.2 | 145.6 | -175.6 | -61.2 | -23.5 | 0 | 0 | 0 | 111.3 | K12 L93 T96 | K12-D98 WeakPolarHBondContact CE-OD2 3.23Å; K12-D98 IonicContact NZ-OD1 3.61Å; K12-D98 PolarHBondContact NZ-OD1 3.48Å; K12-D98 IonicContact NZ-OD2 2.74Å; K12-D98 PolarHBondContact NZ-OD2 3Å; L93-D98 WeakPolarHBondContact CA-O 3.3Å; T96-D98 PolarHBondContact O-N 3.32Å; T96-D98 PolarHBondContact OG1-N 3.32Å; T96-D98 VanDerWaalsContact OG1-N 3.14Å; T96-D98 PolarHBondContact OG1-O 3.07Å |
| 99 | V | 98.4 | Very high | 98.5 | Very high | 48 Ų | 48 | 26 Ų | 26 | 29% | 0.291 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 124.2 | 170.6 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | Q76 | Q76-V99 HydrophobicContact CB-CG1 4.04Å; Q76-V99 HydrophobicContact CB-CG2 4.07Å; Q76-V99 VanDerWaalsContact O-CG1 3.3Å; Q76-V99 WeakPolarHBondContact O-CG1 3.23Å; Q76-V99 VanDerWaalsContact OE1-CG2 3.31Å |
| 100 | P | 98.5 | Very high | 98.5 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 150.8 | 179.2 | 27.2 | -33.4 | 0 | 0 | 0 | 112.3 | L77 P78 W92 Q104 V105 | L77-P100 HydrophobicContact CD2-CG 4.05Å; P78-P100 WeakPolarHBondContact CD-O 3.3Å; P78-P100 WeakPolarHBondContact CG-O 3.25Å; W92-P100 HydrophobicContact CB-CB 4Å; W92-P100 HydrophobicContact CB-CG 3.97Å; W92-P100 HydrophobicContact CD2-CB 4.01Å; W92-P100 HydrophobicContact CG-CB 3.6Å; W92-P100 HydrophobicContact CG-CG 4.05Å; P100-Q104 HydrophobicContact CB-CB 3.99Å; P100-V105 HydrophobicContact CB-CG2 3.85Å; P100-V105 HydrophobicContact CG-CG2 3.72Å |
| 101 | T | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 31.1 Ų | 31.1 | 39% | 0.387 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 159.6 | 163 | 64.5 | 0 | 0 | 0 | 0 | 111 | K103 Q104 V105 | T101-K103 PolarHBondContact O-N 3.44Å; T101-Q104 WeakPolarHBondContact O-CB 3.44Å; T101-Q104 PolarHBondContact O-N 2.96Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.47Å; T101-Q104 PolarHBondContact OG1-N 2.84Å; T101-Q104 PolarHBondContact OG1-OE1 3.4Å; T101-V105 PolarHBondContact O-N 3.15Å |
| 102 | A | 98.1 | Very high | 98.4 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 41% | 0.405 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -53.8 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P78 L80 V105 Q106 | P78-A102 HydrophobicContact CB-CB 4.2Å; L80-A102 HydrophobicContact CD2-CB 3.63Å; A102-V105 PolarHBondContact O-N 3.4Å; A102-Q106 WeakPolarHBondContact O-CB 3.37Å; A102-Q106 PolarHBondContact O-N 3.41Å |
| 103 | K | 98.3 | Very high | 98.4 | Very high | 137 Ų | 137 | 31.8 Ų | 31.8 | 60% | 0.596 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -66.2 | -36.3 | 176.9 | -66.3 | -174.6 | 178.9 | -178.6 | 0 | 112.6 | Q3 T101 Q106 A107 | Q3-K103 HydrophobicContact CG-CB 4.34Å; T101-K103 PolarHBondContact O-N 3.44Å; K103-Q106 PolarHBondContact O-N 2.7Å; K103-A107 WeakPolarHBondContact O-CB 3.5Å; K103-A107 PolarHBondContact O-N 3.25Å |
| 104 | Q | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.2 | -41.8 | 175.9 | -77.3 | 163.7 | -35.8 | 0 | 0 | 111.6 | S2 W92 P100 T101 Q106 A107 L108 | S2-Q104 PolarHBondContact O-NE2 2.82Å; W92-Q104 HydrophobicContact CD2-CB 4.2Å; W92-Q104 HydrophobicContact CE3-CB 3.89Å; W92-Q104 HydrophobicContact CE3-CG 4.44Å; W92-Q104 HydrophobicContact CH2-CB 3.85Å; W92-Q104 HydrophobicContact CH2-CG 3.47Å; W92-Q104 VanDerWaalsContact CH2-CG 3.47Å; W92-Q104 HydrophobicContact CZ2-CB 4.12Å; W92-Q104 HydrophobicContact CZ2-CG 3.71Å; W92-Q104 HydrophobicContact CZ3-CB 3.7Å; W92-Q104 HydrophobicContact CZ3-CG 3.85Å; P100-Q104 HydrophobicContact CB-CB 3.99Å; T101-Q104 WeakPolarHBondContact O-CB 3.44Å; T101-Q104 PolarHBondContact O-N 2.96Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.47Å; T101-Q104 PolarHBondContact OG1-N 2.84Å; T101-Q104 PolarHBondContact OG1-OE1 3.4Å; Q104-Q106 VanDerWaalsContact C-N 3.33Å; Q104-Q106 PolarHBondContact O-N 3.41Å; Q104-A107 PolarHBondContact O-N 3.11Å; Q104-L108 WeakPolarHBondContact O-CB 3.1Å; Q104-L108 PolarHBondContact O-N 3.32Å |
| 105 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | P78 L80 P86 E88 P100 T101 A102 A107 L108 R109 | P78-V105 HydrophobicContact CB-CG2 4.2Å; P78-V105 HydrophobicContact CG-CG2 3.87Å; L80-V105 HydrophobicContact CD1-CB 4.18Å; L80-V105 HydrophobicContact CD1-CG1 3.7Å; L80-V105 HydrophobicContact CG-CG1 4.29Å; P86-V105 HydrophobicContact CB-CG1 4.33Å; P86-V105 HydrophobicContact CG-CG1 4.42Å; E88-V105 HydrophobicContact CB-CG1 4.03Å; P100-V105 HydrophobicContact CB-CG2 3.85Å; P100-V105 HydrophobicContact CG-CG2 3.72Å; T101-V105 PolarHBondContact O-N 3.15Å; A102-V105 PolarHBondContact O-N 3.4Å; V105-A107 PolarHBondContact O-N 3.26Å; V105-L108 PolarHBondContact O-N 3.43Å; V105-R109 PolarHBondContact O-N 3.44Å |
| 106 | Q | 98.1 | Very high | 98.3 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 177.7 | -168.2 | 171.9 | 20.7 | 0 | 0 | 112.9 | A102 K103 Q104 L108 R109 T110 | A102-Q106 WeakPolarHBondContact O-CB 3.37Å; A102-Q106 PolarHBondContact O-N 3.41Å; K103-Q106 PolarHBondContact O-N 2.7Å; Q104-Q106 VanDerWaalsContact C-N 3.33Å; Q104-Q106 PolarHBondContact O-N 3.41Å; Q106-L108 VanDerWaalsContact C-N 3.35Å; Q106-R109 WeakPolarHBondContact O-CB 3.46Å; Q106-R109 PolarHBondContact O-N 3.18Å; Q106-T110 PolarHBondContact O-N 2.9Å; Q106-T110 PolarHBondContact O-OG1 2.86Å |
| 107 | A | 98.2 | Very high | 98.2 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q3 K103 Q104 V105 T110 Q111 | Q3-A107 HydrophobicContact CB-CB 4.18Å; K103-A107 WeakPolarHBondContact O-CB 3.5Å; K103-A107 PolarHBondContact O-N 3.25Å; Q104-A107 PolarHBondContact O-N 3.11Å; V105-A107 PolarHBondContact O-N 3.26Å; A107-T110 PolarHBondContact O-N 3.49Å; A107-Q111 WeakPolarHBondContact O-CG 3.4Å; A107-Q111 PolarHBondContact O-N 2.96Å |
| 108 | L | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 177.3 | -174 | 58.3 | 0 | 0 | 0 | 112.2 | L5 E88 F91 W92 Q104 V105 Q106 T110 Q111 F112 | L5-L108 HydrophobicContact CD2-CD1 4.18Å; E88-L108 HydrophobicContact CB-CB 4.26Å; E88-L108 HydrophobicContact CB-CD2 3.91Å; E88-L108 HydrophobicContact CB-CG 4.06Å; E88-L108 HydrophobicContact CG-CG 4.31Å; E88-L108 WeakPolarHBondContact O-CD2 3.38Å; F91-L108 HydrophobicContact CB-CD2 4.4Å; F91-L108 HydrophobicContact CD1-CD2 3.97Å; W92-L108 HydrophobicContact CB-CD2 4.4Å; Q104-L108 WeakPolarHBondContact O-CB 3.1Å; Q104-L108 PolarHBondContact O-N 3.32Å; V105-L108 PolarHBondContact O-N 3.43Å; Q106-L108 VanDerWaalsContact C-N 3.35Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 2.9Å; L108-Q111 HydrophobicContact CD1-CB 4.47Å; L108-Q111 WeakPolarHBondContact O-CB 3.41Å; L108-Q111 PolarHBondContact O-N 3.28Å; L108-Q111 VanDerWaalsContact O-N 3.1Å; L108-F112 HydrophobicContact CD1-CD1 4.14Å; L108-F112 HydrophobicContact CD1-CE1 3.73Å; L108-F112 HydrophobicContact CD1-CZ 4.05Å; L108-F112 HydrophobicContact CD2-CZ 4.39Å; L108-F112 HydrophobicContact CG-CE1 4.28Å; L108-F112 HydrophobicContact CG-CE2 4.42Å; L108-F112 HydrophobicContact CG-CZ 4.17Å; L108-F112 PolarHBondContact O-N 2.89Å |
| 109 | R | 98.2 | Very high | 98.2 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.3 | -50.2 | 169.1 | 175.6 | -175.6 | 82.5 | 165.4 | 15.2 | 111.1 | E88 V105 Q106 Q111 F112 N113 E204 K205 | E88-R109 HydrophobicContact CG-CB 4.38Å; V105-R109 PolarHBondContact O-N 3.44Å; Q106-R109 WeakPolarHBondContact O-CB 3.46Å; Q106-R109 PolarHBondContact O-N 3.18Å; R109-Q111 VanDerWaalsContact C-N 3.28Å; R109-Q111 PolarHBondContact O-N 2.91Å; R109-F112 PolarHBondContact O-N 2.87Å; R109-N113 WeakPolarHBondContact O-CB 3.37Å; R109-N113 VanDerWaalsContact O-CG 3.32Å; R109-N113 PolarHBondContact O-N 3.06Å; R109-E204 PolarHBondContact NH1-O 3.42Å; R109-E204 IonicContact NH2-OE2 3.59Å; R109-E204 PolarHBondContact NH2-OE2 3.41Å; R109-K205 WeakPolarHBondContact CD-O 3.24Å |
| 110 | T | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 177.4 | -61.5 | 0 | 0 | 0 | 0 | 112 | Q106 A107 L108 R114 | Q106-T110 PolarHBondContact O-N 2.9Å; Q106-T110 PolarHBondContact O-OG1 2.86Å; A107-T110 PolarHBondContact O-N 3.49Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 2.9Å; T110-R114 HydrophobicContact CG2-CG 4.5Å; T110-R114 WeakPolarHBondContact O-CB 3.32Å; T110-R114 VanDerWaalsContact O-CG 3.26Å; T110-R114 WeakPolarHBondContact O-CG 3.27Å; T110-R114 PolarHBondContact O-N 3.03Å; T110-R114 VanDerWaalsContact O-N 3.08Å |
| 111 | Q | 98.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 175.8 | -72.7 | -70.6 | -28.3 | 0 | 0 | 112 | A107 L108 R109 R114 R115 | A107-Q111 WeakPolarHBondContact O-CG 3.4Å; A107-Q111 PolarHBondContact O-N 2.96Å; L108-Q111 HydrophobicContact CD1-CB 4.47Å; L108-Q111 WeakPolarHBondContact O-CB 3.41Å; L108-Q111 PolarHBondContact O-N 3.28Å; L108-Q111 VanDerWaalsContact O-N 3.1Å; R109-Q111 VanDerWaalsContact C-N 3.28Å; R109-Q111 PolarHBondContact O-N 2.91Å; Q111-R114 PolarHBondContact O-N 3.13Å; Q111-R115 WeakPolarHBondContact O-CB 3.39Å; Q111-R115 WeakPolarHBondContact O-CD 3.34Å; Q111-R115 WeakPolarHBondContact O-CG 3.48Å; Q111-R115 PolarHBondContact O-N 2.91Å; Q111-R115 VanDerWaalsContact O-N 3.13Å; Q111-R115 VanDerWaalsContact OE1-NH2 3.15Å |
| 112 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.3 | -74 | -3.9 | 0 | 0 | 0 | 111.3 | E88 F91 L108 R109 R114 R115 A116 L174 I177 A178 W207 | E88-F112 HydrophobicContact CG-CD2 3.74Å; E88-F112 HydrophobicContact CG-CE2 3.92Å; F91-F112 HydrophobicContact CD1-CE1 4.46Å; F91-F112 AromaticContact CD1-CZ 3.87Å; F91-F112 HydrophobicContact CD1-CZ 3.87Å; F91-F112 HydrophobicContact CE1-CZ 4.33Å; F91-F112 HydrophobicContact CG-CZ 4.28Å; L108-F112 HydrophobicContact CD1-CD1 4.14Å; L108-F112 HydrophobicContact CD1-CE1 3.73Å; L108-F112 HydrophobicContact CD1-CZ 4.05Å; L108-F112 HydrophobicContact CD2-CZ 4.39Å; L108-F112 HydrophobicContact CG-CE1 4.28Å; L108-F112 HydrophobicContact CG-CE2 4.42Å; L108-F112 HydrophobicContact CG-CZ 4.17Å; L108-F112 PolarHBondContact O-N 2.89Å; R109-F112 PolarHBondContact O-N 2.87Å; F112-R114 VanDerWaalsContact C-N 3.3Å; F112-R114 PolarHBondContact O-N 3.25Å; F112-R115 PolarHBondContact O-N 3.22Å; F112-R115 VanDerWaalsContact O-N 3.1Å; F112-A116 WeakPolarHBondContact O-CB 3.28Å; F112-A116 PolarHBondContact O-N 3.45Å; F112-A116 VanDerWaalsContact O-N 3.15Å; F112-L174 HydrophobicContact CE1-CG 4.28Å; F112-I177 HydrophobicContact CD2-CG2 4.41Å; F112-I177 HydrophobicContact CE1-CB 4.45Å; F112-I177 HydrophobicContact CE1-CG2 4Å; F112-I177 HydrophobicContact CE2-CG2 3.81Å; F112-I177 HydrophobicContact CZ-CB 4.42Å; F112-I177 HydrophobicContact CZ-CG2 3.58Å; F112-A178 HydrophobicContact CB-CB 4.44Å; F112-A178 VanDerWaalsContact O-CB 3.31Å; F112-A178 WeakPolarHBondContact O-CB 3.28Å; F112-W207 HydrophobicContact CD2-CB 4.11Å; F112-W207 AromaticContact CD2-CD1 3.99Å; F112-W207 HydrophobicContact CD2-CD2 4.47Å; F112-W207 AromaticContact CD2-CG 3.95Å; F112-W207 HydrophobicContact CD2-CG 3.95Å |
| 113 | N | 98.4 | Very high | 98 | Very high | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 179.6 | -70.8 | -12.6 | 0 | 0 | 0 | 112.3 | R109 R115 I201 D202 P203 K205 N210 | R109-N113 WeakPolarHBondContact O-CB 3.37Å; R109-N113 VanDerWaalsContact O-CG 3.32Å; R109-N113 PolarHBondContact O-N 3.06Å; N113-R115 VanDerWaalsContact C-N 3.34Å; N113-R115 PolarHBondContact O-N 3.49Å; N113-I201 HydrophobicContact CB-CG2 3.73Å; N113-D202 PolarHBondContact ND2-O 3.17Å; N113-P203 PolarHBondContact ND2-O 3.47Å; N113-K205 PolarHBondContact ND2-O 3.31Å; N113-N210 PolarHBondContact OD1-ND2 2.94Å; N113-N210 VanDerWaalsContact OD1-ND2 3.11Å |
| 114 | R | 98.1 | Very high | 98 | Very high | 183 Ų | 183 | 48.1 Ų | 48.1 | 69% | 0.691 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.2 | -27.4 | 178 | -73.9 | 175.2 | -178.6 | 176.5 | 2.5 | 114 | T110 Q111 F112 | T110-R114 HydrophobicContact CG2-CG 4.5Å; T110-R114 WeakPolarHBondContact O-CB 3.32Å; T110-R114 VanDerWaalsContact O-CG 3.26Å; T110-R114 WeakPolarHBondContact O-CG 3.27Å; T110-R114 PolarHBondContact O-N 3.03Å; T110-R114 VanDerWaalsContact O-N 3.08Å; Q111-R114 PolarHBondContact O-N 3.13Å; F112-R114 VanDerWaalsContact C-N 3.3Å; F112-R114 PolarHBondContact O-N 3.25Å |
| 115 | R | 98.5 | Very high | 97.9 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -92.1 | -11.6 | -174.9 | -69.1 | 169.8 | -175.8 | -97.5 | 4.8 | 113.3 | Q111 F112 N113 V117 E171 N175 A178 K179 | Q111-R115 WeakPolarHBondContact O-CB 3.39Å; Q111-R115 WeakPolarHBondContact O-CD 3.34Å; Q111-R115 WeakPolarHBondContact O-CG 3.48Å; Q111-R115 PolarHBondContact O-N 2.91Å; Q111-R115 VanDerWaalsContact O-N 3.13Å; Q111-R115 VanDerWaalsContact OE1-NH2 3.15Å; F112-R115 PolarHBondContact O-N 3.22Å; F112-R115 VanDerWaalsContact O-N 3.1Å; N113-R115 VanDerWaalsContact C-N 3.34Å; N113-R115 PolarHBondContact O-N 3.49Å; R115-V117 PolarHBondContact O-N 2.96Å; R115-E171 IonicContact CZ-OE2 2.79Å; R115-E171 IonicContact NH1-OE2 3.58Å; R115-E171 PolarHBondContact NH1-OE2 2.75Å; R115-E171 IonicContact NH2-OE2 2.83Å; R115-E171 PolarHBondContact NH2-OE2 3.23Å; R115-N175 WeakPolarHBondContact CD-OD1 3.45Å; R115-N175 WeakPolarHBondContact CG-OD1 3.3Å; R115-N175 PolarHBondContact NH1-OD1 3.16Å; R115-A178 HydrophobicContact CB-CB 3.47Å; R115-A178 VanDerWaalsContact CB-CB 3.47Å; R115-K179 WeakPolarHBondContact O-CG 3.36Å |
| 116 | A | 98.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | trans | -77.2 | 42.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F112 A178 P182 I201 | F112-A116 WeakPolarHBondContact O-CB 3.28Å; F112-A116 PolarHBondContact O-N 3.45Å; F112-A116 VanDerWaalsContact O-N 3.15Å; A116-A178 HydrophobicContact CB-CB 4.25Å; A116-A178 VanDerWaalsContact CB-O 3.25Å; A116-A178 WeakPolarHBondContact CB-O 3.48Å; A116-P182 HydrophobicContact CB-CG 4.38Å; A116-I201 HydrophobicContact CB-CD1 3.94Å; A116-I201 HydrophobicContact CB-CG1 3.91Å | ||
| 117 | V | 97.2 | Very high | 97.6 | Very high | 101 Ų | 101 | 49 Ų | 49 | 61% | 0.612 | 24% | 0.243 | S | C | * | . | trans | -105.8 | 122.7 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | R115 K179 | R115-V117 PolarHBondContact O-N 2.96Å; V117-K179 WeakPolarHBondContact O-CD 3.48Å; V117-K179 WeakPolarHBondContact O-CE 3.48Å | ||
| 118 | L | 97.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | trans | -87.3 | 135.1 | 173.8 | -64.1 | 176.5 | 0 | 0 | 0 | 110.1 | V123 L146 K179 P182 L183 M186 | L118-V123 HydrophobicContact CB-CG2 3.85Å; L118-V123 HydrophobicContact CD1-CG2 4.47Å; L118-L146 HydrophobicContact CD2-CD1 4.42Å; L118-L146 HydrophobicContact CD2-CD2 4.2Å; L118-K179 HydrophobicContact CD2-CB 3.88Å; L118-K179 HydrophobicContact CD2-CG 4.24Å; L118-P182 HydrophobicContact CD1-CB 4.21Å; L118-P182 HydrophobicContact CD1-CG 4.48Å; L118-P182 HydrophobicContact CG-CB 4.48Å; L118-P182 HydrophobicContact CG-CG 4.32Å; L118-L183 HydrophobicContact CD1-CB 4.25Å; L118-L183 HydrophobicContact CD2-CB 4.21Å; L118-M186 HydrophobicContact CD1-CE 3.82Å | ||
| 119 | P | 97.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 13% | 0.13 | 26% | 0.264 | C | S | . | . | trans | -71.1 | 148.5 | 172.7 | 32.6 | -35.4 | 0 | 0 | 0 | 110.3 | H121 V122 V123 L146 E149 | P119-H121 VanDerWaalsContact C-N 3.28Å; P119-H121 VanDerWaalsContact CG-CE1 3.42Å; P119-H121 WeakPolarHBondContact CG-CE1 3.48Å; P119-H121 PolarHBondContact O-N 3.49Å; P119-V122 HydrophobicContact CG-CB 4.07Å; P119-V122 HydrophobicContact CG-CG2 3.74Å; P119-V122 PolarHBondContact O-N 3.45Å; P119-V123 PolarHBondContact O-N 3.37Å; P119-L146 HydrophobicContact CG-CD2 3.9Å; P119-E149 HydrophobicContact CG-CG 4.07Å | ||
| 120 | E | 97.4 | Very high | 97.2 | Very high | 123 Ų | 123 | 54.2 Ų | 54.2 | 58% | 0.575 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.2 | -39.4 | -171.6 | -174.8 | 58.4 | -151.1 | 0 | 0 | 112.9 | V122 V123 Q124 | E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 3.04Å; E120-V123 WeakPolarHBondContact O-CB 3.25Å; E120-V123 PolarHBondContact O-N 3.11Å; E120-V123 VanDerWaalsContact O-N 3.16Å; E120-Q124 HydrophobicContact CG-CG 4.33Å; E120-Q124 WeakPolarHBondContact O-CG 3.37Å; E120-Q124 PolarHBondContact O-N 3.2Å; E120-Q124 PolarHBondContact OE1-NE2 3.36Å |
| 121 | H | 98 | Very high | 96.6 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -31.6 | -179.8 | 69.8 | -77 | 0 | 0 | 0 | 112.9 | P119 L125 A145 S148 | P119-H121 VanDerWaalsContact C-N 3.28Å; P119-H121 VanDerWaalsContact CG-CE1 3.42Å; P119-H121 WeakPolarHBondContact CG-CE1 3.48Å; P119-H121 PolarHBondContact O-N 3.49Å; H121-L125 VanDerWaalsContact O-CB 3.29Å; H121-L125 WeakPolarHBondContact O-CB 3.37Å; H121-L125 PolarHBondContact O-N 2.69Å; H121-A145 PolarHBondContact NE2-O 3.28Å; H121-S148 PolarHBondContact CE1-OG 3.5Å; H121-S148 PolarHBondContact NE2-OG 3.12Å |
| 122 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.2 | -37.9 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | P119 E120 L125 V126 A142 A145 L146 L183 | P119-V122 HydrophobicContact CG-CB 4.07Å; P119-V122 HydrophobicContact CG-CG2 3.74Å; P119-V122 PolarHBondContact O-N 3.45Å; E120-V122 VanDerWaalsContact C-N 3.28Å; E120-V122 PolarHBondContact O-N 3.04Å; V122-L125 PolarHBondContact O-N 3.19Å; V122-V126 WeakPolarHBondContact O-CG2 3.19Å; V122-V126 PolarHBondContact O-N 3.02Å; V122-V126 VanDerWaalsContact O-N 3.08Å; V122-A142 HydrophobicContact CG1-CB 4.16Å; V122-A145 HydrophobicContact CG2-CB 3.93Å; V122-L146 HydrophobicContact CB-CD2 4.32Å; V122-L146 HydrophobicContact CG1-CD2 4.2Å; V122-L146 HydrophobicContact CG1-CG 4.19Å; V122-L146 HydrophobicContact CG2-CD2 3.86Å; V122-L146 HydrophobicContact CG2-CG 4.08Å; V122-L183 HydrophobicContact CG1-CD1 4.49Å |
| 123 | V | 96.9 | Very high | 96.3 | Very high | 33 Ų | 33 | 68.4 Ų | 68.4 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -54.7 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | L118 P119 E120 L125 V126 L127 M186 | L118-V123 HydrophobicContact CB-CG2 3.85Å; L118-V123 HydrophobicContact CD1-CG2 4.47Å; P119-V123 PolarHBondContact O-N 3.37Å; E120-V123 WeakPolarHBondContact O-CB 3.25Å; E120-V123 PolarHBondContact O-N 3.11Å; E120-V123 VanDerWaalsContact O-N 3.16Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.33Å; V123-V126 PolarHBondContact O-N 2.94Å; V123-V126 VanDerWaalsContact O-N 3.1Å; V123-L127 HydrophobicContact CG1-CD1 4Å; V123-L127 HydrophobicContact CG1-CG 4.35Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.44Å; V123-L127 PolarHBondContact O-N 3.09Å; V123-M186 HydrophobicContact CG1-SD 4.07Å |
| 124 | Q | 96.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 71 Ų | 71 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 179.1 | -66.3 | -57.3 | -34.8 | 0 | 0 | 112.9 | E120 V126 L127 S128 | E120-Q124 HydrophobicContact CG-CG 4.33Å; E120-Q124 WeakPolarHBondContact O-CG 3.37Å; E120-Q124 PolarHBondContact O-N 3.2Å; E120-Q124 PolarHBondContact OE1-NE2 3.36Å; Q124-V126 PolarHBondContact O-N 3.09Å; Q124-L127 PolarHBondContact O-N 3.01Å; Q124-S128 WeakPolarHBondContact O-CB 3.45Å; Q124-S128 PolarHBondContact O-N 3.25Å |
| 125 | L | 97.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 174.9 | 177.3 | 63 | 0 | 0 | 0 | 111.3 | H121 V122 V123 L127 S128 F129 A145 | H121-L125 VanDerWaalsContact O-CB 3.29Å; H121-L125 WeakPolarHBondContact O-CB 3.37Å; H121-L125 PolarHBondContact O-N 2.69Å; V122-L125 PolarHBondContact O-N 3.19Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.33Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-L127 PolarHBondContact O-N 3.37Å; L125-S128 PolarHBondContact O-N 3.18Å; L125-S128 VanDerWaalsContact O-N 3.14Å; L125-S128 PolarHBondContact O-OG 3.46Å; L125-F129 HydrophobicContact CD1-CE1 3.93Å; L125-F129 HydrophobicContact CD1-CZ 3.9Å; L125-F129 HydrophobicContact CD2-CZ 4.21Å; L125-F129 HydrophobicContact CG-CE1 4.23Å; L125-F129 HydrophobicContact CG-CE2 4.26Å; L125-F129 HydrophobicContact CG-CZ 3.69Å; L125-F129 PolarHBondContact O-N 3.36Å; L125-A145 HydrophobicContact CD2-CB 3.61Å |
| 126 | V | 96.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | V122 V123 Q124 S128 F129 A142 L183 M186 I187 N190 | V122-V126 WeakPolarHBondContact O-CG2 3.19Å; V122-V126 PolarHBondContact O-N 3.02Å; V122-V126 VanDerWaalsContact O-N 3.08Å; V123-V126 PolarHBondContact O-N 2.94Å; V123-V126 VanDerWaalsContact O-N 3.1Å; Q124-V126 PolarHBondContact O-N 3.09Å; V126-S128 PolarHBondContact O-N 3.12Å; V126-F129 HydrophobicContact CB-CD2 4.41Å; V126-F129 HydrophobicContact CB-CE2 4.5Å; V126-F129 HydrophobicContact CG1-CD2 4.49Å; V126-F129 HydrophobicContact CG2-CD2 4.49Å; V126-F129 HydrophobicContact CG2-CE2 4.14Å; V126-F129 PolarHBondContact O-N 2.91Å; V126-A142 HydrophobicContact CG2-CB 3.67Å; V126-L183 HydrophobicContact CG2-CD1 3.73Å; V126-M186 HydrophobicContact CB-CE 3.55Å; V126-M186 HydrophobicContact CB-SD 4.18Å; V126-M186 HydrophobicContact CG1-CE 3.77Å; V126-M186 HydrophobicContact CG1-CG 3.95Å; V126-M186 HydrophobicContact CG1-SD 4.17Å; V126-M186 HydrophobicContact CG2-CE 3.66Å; V126-I187 HydrophobicContact CG1-CG1 3.86Å; V126-N190 PolarHBondContact O-ND2 3.17Å |
| 127 | L | 94.3 | Very high | 96.3 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -29.4 | 175.1 | -63.1 | -179.7 | 0 | 0 | 0 | 112.7 | V123 Q124 L125 F129 | V123-L127 HydrophobicContact CG1-CD1 4Å; V123-L127 HydrophobicContact CG1-CG 4.35Å; V123-L127 VanDerWaalsContact O-CG 3.31Å; V123-L127 WeakPolarHBondContact O-CG 3.44Å; V123-L127 PolarHBondContact O-N 3.09Å; Q124-L127 PolarHBondContact O-N 3.01Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-L127 PolarHBondContact O-N 3.37Å; L127-F129 VanDerWaalsContact C-N 3.33Å |
| 128 | S | 96 | Very high | 96.4 | Very high | 85 Ų | 85 | 57 Ų | 57 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -78.3 | -14.1 | -179.7 | 79.5 | 0 | 0 | 0 | 0 | 114.1 | Q124 L125 V126 | Q124-S128 WeakPolarHBondContact O-CB 3.45Å; Q124-S128 PolarHBondContact O-N 3.25Å; L125-S128 PolarHBondContact O-N 3.18Å; L125-S128 VanDerWaalsContact O-N 3.14Å; L125-S128 PolarHBondContact O-OG 3.46Å; V126-S128 PolarHBondContact O-N 3.12Å |
| 129 | F | 96.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -67.4 | 137.9 | -177.8 | -69.3 | -42.2 | 0 | 0 | 0 | 112.4 | L125 V126 L127 L133 Q138 | L125-F129 HydrophobicContact CD1-CE1 3.93Å; L125-F129 HydrophobicContact CD1-CZ 3.9Å; L125-F129 HydrophobicContact CD2-CZ 4.21Å; L125-F129 HydrophobicContact CG-CE1 4.23Å; L125-F129 HydrophobicContact CG-CE2 4.26Å; L125-F129 HydrophobicContact CG-CZ 3.69Å; L125-F129 PolarHBondContact O-N 3.36Å; V126-F129 HydrophobicContact CB-CD2 4.41Å; V126-F129 HydrophobicContact CB-CE2 4.5Å; V126-F129 HydrophobicContact CG1-CD2 4.49Å; V126-F129 HydrophobicContact CG2-CD2 4.49Å; V126-F129 HydrophobicContact CG2-CE2 4.14Å; V126-F129 PolarHBondContact O-N 2.91Å; L127-F129 VanDerWaalsContact C-N 3.33Å; F129-L133 HydrophobicContact CB-CD2 4.14Å; F129-L133 HydrophobicContact CD1-CD2 3.58Å; F129-L133 HydrophobicContact CE1-CD2 4.1Å; F129-L133 HydrophobicContact CG-CD2 3.85Å; F129-Q138 HydrophobicContact CB-CG 4.12Å; F129-Q138 HydrophobicContact CD2-CB 3.65Å; F129-Q138 HydrophobicContact CD2-CG 3.55Å; F129-Q138 HydrophobicContact CE2-CB 3.84Å; F129-Q138 HydrophobicContact CE2-CG 4.18Å; F129-Q138 HydrophobicContact CG-CG 3.96Å |
| 130 | P | 93.6 | Very high | 96.5 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | trans | -69.4 | 139.4 | 173.8 | 30.4 | -33.4 | 0 | 0 | 0 | 109.5 | R132 L133 | P130-R132 HydrophobicContact CB-CG 4.27Å; P130-R132 HydrophobicContact CG-CG 4.48Å; P130-R132 PolarHBondContact O-N 3.19Å; P130-L133 HydrophobicContact CG-CB 4.12Å; P130-L133 VanDerWaalsContact O-CB 3.28Å; P130-L133 WeakPolarHBondContact O-CB 3.39Å; P130-L133 PolarHBondContact O-N 3.5Å | ||
| 131 | K | 86.5 | Confident | 96.6 | Very high | 126 Ų | 126 | 52.7 Ų | 52.7 | 55% | 0.548 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -26.7 | -178.8 | -66.7 | -173.1 | 178.5 | -180 | 0 | 114.8 | L133 D194 | K131-L133 VanDerWaalsContact C-N 3.28Å; K131-L133 PolarHBondContact O-N 2.9Å; K131-D194 IonicContact NZ-OD1 3Å; K131-D194 PolarHBondContact NZ-OD1 3.37Å |
| 132 | R | 92.5 | Very high | 96.6 | Very high | 226 Ų | 226 | 48.4 Ų | 48.4 | 85% | 0.853 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.5 | 177.1 | 70.2 | 175.8 | -178.1 | -95 | -1.3 | 114.3 | P130 H134 | P130-R132 HydrophobicContact CB-CG 4.27Å; P130-R132 HydrophobicContact CG-CG 4.48Å; P130-R132 PolarHBondContact O-N 3.19Å; R132-H134 PolarHBondContact O-N 2.97Å |
| 133 | L | 97.1 | Very high | 96.6 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 29% | 0.288 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -71.5 | 125.9 | 179.5 | -178.2 | 59.2 | 0 | 0 | 0 | 109.4 | F129 P130 K131 A137 Q138 | F129-L133 HydrophobicContact CB-CD2 4.14Å; F129-L133 HydrophobicContact CD1-CD2 3.58Å; F129-L133 HydrophobicContact CE1-CD2 4.1Å; F129-L133 HydrophobicContact CG-CD2 3.85Å; P130-L133 HydrophobicContact CG-CB 4.12Å; P130-L133 VanDerWaalsContact O-CB 3.28Å; P130-L133 WeakPolarHBondContact O-CB 3.39Å; P130-L133 PolarHBondContact O-N 3.5Å; K131-L133 VanDerWaalsContact C-N 3.28Å; K131-L133 PolarHBondContact O-N 2.9Å; L133-A137 HydrophobicContact CD1-CB 3.66Å; L133-A137 HydrophobicContact CG-CB 4.05Å; L133-Q138 HydrophobicContact CB-CG 4.2Å; L133-Q138 HydrophobicContact CD2-CG 3.78Å; L133-Q138 HydrophobicContact CG-CG 3.83Å; L133-Q138 PolarHBondContact O-NE2 3.46Å |
| 134 | H | 98.1 | Very high | 96.7 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | trans | -54.4 | 137.4 | -176.5 | -168.9 | -85.3 | 0 | 0 | 0 | 111.7 | R132 M136 A137 Q138 | R132-H134 PolarHBondContact O-N 2.97Å; H134-M136 VanDerWaalsContact C-N 3.28Å; H134-M136 PolarHBondContact ND1-N 2.93Å; H134-M136 PolarHBondContact O-N 2.68Å; H134-A137 HydrophobicContact CB-CB 4.44Å; H134-A137 WeakPolarHBondContact O-CA 3.47Å; H134-A137 WeakPolarHBondContact O-CB 3.47Å; H134-A137 PolarHBondContact O-N 2.92Å; H134-Q138 PolarHBondContact O-N 3.2Å; H134-Q138 VanDerWaalsContact O-N 3.17Å | ||
| 135 | P | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.5 | -40.5 | -177 | -29.1 | 35.1 | 0 | 0 | 0 | 114.1 | A137 Q138 F139 I187 F192 N389 F390 V393 | P135-A137 VanDerWaalsContact C-N 3.33Å; P135-A137 PolarHBondContact O-N 3.16Å; P135-Q138 WeakPolarHBondContact O-CB 3.45Å; P135-Q138 PolarHBondContact O-N 3.2Å; P135-F139 WeakPolarHBondContact O-CB 3.19Å; P135-F139 PolarHBondContact O-N 2.79Å; P135-I187 HydrophobicContact CB-CG2 4.03Å; P135-F192 HydrophobicContact CG-CE2 4.15Å; P135-F192 HydrophobicContact CG-CZ 3.73Å; P135-N389 HydrophobicContact CG-CB 4.29Å; P135-F390 HydrophobicContact CB-CD2 4.12Å; P135-V393 HydrophobicContact CB-CG2 3.82Å |
| 136 | M | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -38 | 174.1 | -75.5 | -63.2 | -68.9 | 0 | 0 | 113.2 | H134 Q138 F139 I140 M264 L267 A268 T392 V393 | H134-M136 VanDerWaalsContact C-N 3.28Å; H134-M136 PolarHBondContact ND1-N 2.93Å; H134-M136 PolarHBondContact O-N 2.68Å; M136-Q138 VanDerWaalsContact C-N 3.34Å; M136-F139 PolarHBondContact O-N 3.13Å; M136-F139 HydrophobicContact SD-CD1 4.38Å; M136-I140 WeakPolarHBondContact O-CB 3.11Å; M136-I140 VanDerWaalsContact O-CD1 3.26Å; M136-I140 WeakPolarHBondContact O-CD1 3.49Å; M136-I140 WeakPolarHBondContact O-CG1 3.13Å; M136-I140 PolarHBondContact O-N 3.34Å; M136-M264 HydrophobicContact CE-CB 3.87Å; M136-M264 HydrophobicContact CE-CG 4.49Å; M136-M264 WeakPolarHBondContact CE-O 3.1Å; M136-M264 HydrophobicContact CE-SD 4.18Å; M136-L267 HydrophobicContact CE-CB 4.21Å; M136-L267 HydrophobicContact CE-CD2 4.46Å; M136-A268 HydrophobicContact CB-CB 3.96Å; M136-A268 HydrophobicContact CE-CB 4.06Å; M136-A268 HydrophobicContact CG-CB 4.27Å; M136-T392 HydrophobicContact CE-CG2 4.01Å; M136-T392 HydrophobicContact CG-CG2 3.96Å; M136-T392 HydrophobicContact SD-CG2 3.82Å; M136-V393 HydrophobicContact CG-CG2 4.23Å; M136-V393 HydrophobicContact SD-CB 4.41Å; M136-V393 HydrophobicContact SD-CG2 3.77Å |
| 137 | A | 98.7 | Very high | 97 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.1 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L133 H134 P135 S141 | L133-A137 HydrophobicContact CD1-CB 3.66Å; L133-A137 HydrophobicContact CG-CB 4.05Å; H134-A137 HydrophobicContact CB-CB 4.44Å; H134-A137 WeakPolarHBondContact O-CA 3.47Å; H134-A137 WeakPolarHBondContact O-CB 3.47Å; H134-A137 PolarHBondContact O-N 2.92Å; P135-A137 VanDerWaalsContact C-N 3.33Å; P135-A137 PolarHBondContact O-N 3.16Å; A137-S141 WeakPolarHBondContact O-CB 3.31Å; A137-S141 PolarHBondContact O-N 2.92Å; A137-S141 VanDerWaalsContact O-N 3.13Å; A137-S141 PolarHBondContact O-OG 3.13Å |
| 138 | Q | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 171.6 | -59.3 | -171.5 | 33.5 | 0 | 0 | 111 | F129 L133 H134 P135 M136 S141 A142 I187 C191 | F129-Q138 HydrophobicContact CB-CG 4.12Å; F129-Q138 HydrophobicContact CD2-CB 3.65Å; F129-Q138 HydrophobicContact CD2-CG 3.55Å; F129-Q138 HydrophobicContact CE2-CB 3.84Å; F129-Q138 HydrophobicContact CE2-CG 4.18Å; F129-Q138 HydrophobicContact CG-CG 3.96Å; L133-Q138 HydrophobicContact CB-CG 4.2Å; L133-Q138 HydrophobicContact CD2-CG 3.78Å; L133-Q138 HydrophobicContact CG-CG 3.83Å; L133-Q138 PolarHBondContact O-NE2 3.46Å; H134-Q138 PolarHBondContact O-N 3.2Å; H134-Q138 VanDerWaalsContact O-N 3.17Å; P135-Q138 WeakPolarHBondContact O-CB 3.45Å; P135-Q138 PolarHBondContact O-N 3.2Å; M136-Q138 VanDerWaalsContact C-N 3.34Å; Q138-S141 PolarHBondContact O-N 3.45Å; Q138-A142 WeakPolarHBondContact O-CB 3.49Å; Q138-A142 PolarHBondContact O-N 3.39Å; Q138-I187 HydrophobicContact CB-CD1 4.04Å; Q138-I187 HydrophobicContact CB-CG1 4.14Å; Q138-I187 HydrophobicContact CB-CG2 4.21Å; Q138-C191 PolarHBondContact NE2-SG 3.03Å |
| 139 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -49.1 | -179.8 | -166.9 | -132.1 | 0 | 0 | 0 | 112 | P135 M136 S141 A142 I143 L180 L183 A184 I187 F260 M264 V393 V397 | P135-F139 WeakPolarHBondContact O-CB 3.19Å; P135-F139 PolarHBondContact O-N 2.79Å; M136-F139 PolarHBondContact O-N 3.13Å; M136-F139 HydrophobicContact SD-CD1 4.38Å; F139-S141 VanDerWaalsContact C-N 3.34Å; F139-S141 PolarHBondContact O-N 3.02Å; F139-A142 PolarHBondContact O-N 2.82Å; F139-I143 HydrophobicContact CD1-CD1 3.65Å; F139-I143 HydrophobicContact CD2-CD1 3.85Å; F139-I143 HydrophobicContact CD2-CG1 4.3Å; F139-I143 HydrophobicContact CE1-CD1 3.61Å; F139-I143 HydrophobicContact CE2-CD1 3.81Å; F139-I143 HydrophobicContact CE2-CG1 4.31Å; F139-I143 HydrophobicContact CG-CD1 3.78Å; F139-I143 HydrophobicContact CZ-CD1 3.71Å; F139-I143 WeakPolarHBondContact O-CB 3.49Å; F139-I143 WeakPolarHBondContact O-CD1 3.43Å; F139-I143 WeakPolarHBondContact O-CG1 3.45Å; F139-I143 PolarHBondContact O-N 3.12Å; F139-L180 HydrophobicContact CE2-CD2 3.88Å; F139-L180 HydrophobicContact CZ-CD2 3.69Å; F139-L180 HydrophobicContact CZ-CG 4.48Å; F139-L183 HydrophobicContact CD2-CD2 3.93Å; F139-L183 HydrophobicContact CD2-CG 4.07Å; F139-L183 HydrophobicContact CE2-CD2 3.99Å; F139-L183 HydrophobicContact CE2-CG 4.2Å; F139-A184 HydrophobicContact CE2-CB 4.19Å; F139-I187 HydrophobicContact CB-CD1 3.87Å; F139-I187 HydrophobicContact CD2-CD1 3.92Å; F139-I187 HydrophobicContact CG-CD1 4.39Å; F139-F260 HydrophobicContact CE1-CE1 4.35Å; F139-F260 HydrophobicContact CZ-CE1 4.48Å; F139-M264 HydrophobicContact CD1-CG 4.03Å; F139-M264 HydrophobicContact CD1-SD 4.23Å; F139-M264 HydrophobicContact CE1-CG 4.02Å; F139-M264 HydrophobicContact CE1-SD 3.88Å; F139-V393 HydrophobicContact CD1-CG1 4.16Å; F139-V393 HydrophobicContact CD2-CG1 4.23Å; F139-V393 HydrophobicContact CE1-CG1 4.26Å; F139-V393 HydrophobicContact CE2-CG1 4.34Å; F139-V393 HydrophobicContact CG-CG1 4.13Å; F139-V393 HydrophobicContact CZ-CG1 4.33Å; F139-V397 HydrophobicContact CZ-CG2 3.95Å |
| 140 | I | 98.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.8 | -49 | 176.4 | -69.1 | 158.4 | 0 | 0 | 0 | 110.9 | M136 I143 A144 S261 M264 A265 A268 | M136-I140 WeakPolarHBondContact O-CB 3.11Å; M136-I140 VanDerWaalsContact O-CD1 3.26Å; M136-I140 WeakPolarHBondContact O-CD1 3.49Å; M136-I140 WeakPolarHBondContact O-CG1 3.13Å; M136-I140 PolarHBondContact O-N 3.34Å; I140-I143 PolarHBondContact O-N 3.15Å; I140-A144 PolarHBondContact O-N 2.93Å; I140-S261 WeakPolarHBondContact CG2-OG 3.32Å; I140-S261 PolarHBondContact O-OG 3.21Å; I140-M264 HydrophobicContact CD1-CB 4.43Å; I140-M264 HydrophobicContact CG1-CB 3.57Å; I140-A265 HydrophobicContact CD1-CB 4.08Å; I140-A268 HydrophobicContact CD1-CB 4.37Å |
| 141 | S | 98.8 | Very high | 97.7 | Very high | 49 Ų | 49 | 45 Ų | 45 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.5 | -45 | -177 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | A137 Q138 F139 A144 A145 | A137-S141 WeakPolarHBondContact O-CB 3.31Å; A137-S141 PolarHBondContact O-N 2.92Å; A137-S141 VanDerWaalsContact O-N 3.13Å; A137-S141 PolarHBondContact O-OG 3.13Å; Q138-S141 PolarHBondContact O-N 3.45Å; F139-S141 VanDerWaalsContact C-N 3.34Å; F139-S141 PolarHBondContact O-N 3.02Å; S141-A144 PolarHBondContact O-N 3.34Å; S141-A145 PolarHBondContact O-N 2.86Å |
| 142 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V122 V126 Q138 F139 A145 L146 L183 | V122-A142 HydrophobicContact CG1-CB 4.16Å; V126-A142 HydrophobicContact CG2-CB 3.67Å; Q138-A142 WeakPolarHBondContact O-CB 3.49Å; Q138-A142 PolarHBondContact O-N 3.39Å; F139-A142 PolarHBondContact O-N 2.82Å; A142-A145 PolarHBondContact O-N 3.35Å; A142-L146 WeakPolarHBondContact O-CG 3.41Å; A142-L146 PolarHBondContact O-N 3.03Å; A142-L183 HydrophobicContact CB-CD1 3.51Å; A142-L183 HydrophobicContact CB-CD2 3.87Å; A142-L183 HydrophobicContact CB-CG 4.28Å |
| 143 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.3 | -68.4 | 161.3 | 0 | 0 | 0 | 110.6 | F139 I140 A145 L146 L176 L180 L183 Y257 F260 M264 | F139-I143 HydrophobicContact CD1-CD1 3.65Å; F139-I143 HydrophobicContact CD2-CD1 3.85Å; F139-I143 HydrophobicContact CD2-CG1 4.3Å; F139-I143 HydrophobicContact CE1-CD1 3.61Å; F139-I143 HydrophobicContact CE2-CD1 3.81Å; F139-I143 HydrophobicContact CE2-CG1 4.31Å; F139-I143 HydrophobicContact CG-CD1 3.78Å; F139-I143 HydrophobicContact CZ-CD1 3.71Å; F139-I143 WeakPolarHBondContact O-CB 3.49Å; F139-I143 WeakPolarHBondContact O-CD1 3.43Å; F139-I143 WeakPolarHBondContact O-CG1 3.45Å; F139-I143 PolarHBondContact O-N 3.12Å; I140-I143 PolarHBondContact O-N 3.15Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.25Å; I143-L146 WeakPolarHBondContact O-CB 3.24Å; I143-L146 PolarHBondContact O-N 3.5Å; I143-L176 HydrophobicContact CG2-CD1 4.17Å; I143-L180 HydrophobicContact CD1-CD2 3.99Å; I143-L180 HydrophobicContact CG1-CD2 3.98Å; I143-L183 HydrophobicContact CG1-CD2 3.88Å; I143-Y257 VanDerWaalsContact CG2-O 3.31Å; I143-Y257 WeakPolarHBondContact CG2-O 3.37Å; I143-F260 HydrophobicContact CD1-CD1 3.75Å; I143-F260 HydrophobicContact CD1-CE1 3.72Å; I143-F260 HydrophobicContact CG1-CD1 4.45Å; I143-F260 HydrophobicContact CG2-CB 4.42Å; I143-F260 HydrophobicContact CG2-CD1 3.99Å; I143-M264 HydrophobicContact CD1-CG 3.99Å |
| 144 | A | 98.9 | Very high | 98.7 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 30% | 0.298 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I140 S141 L146 S147 | I140-A144 PolarHBondContact O-N 2.93Å; S141-A144 PolarHBondContact O-N 3.34Å; A144-L146 PolarHBondContact O-N 3.14Å; A144-S147 WeakPolarHBondContact O-CB 3.39Å; A144-S147 PolarHBondContact O-N 2.96Å |
| 145 | A | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -24.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H121 V122 L125 S141 A142 I143 S147 S148 | H121-A145 PolarHBondContact NE2-O 3.28Å; V122-A145 HydrophobicContact CG2-CB 3.93Å; L125-A145 HydrophobicContact CD2-CB 3.61Å; S141-A145 PolarHBondContact O-N 2.86Å; A142-A145 PolarHBondContact O-N 3.35Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.25Å; A145-S147 PolarHBondContact O-N 2.88Å; A145-S148 PolarHBondContact O-N 3.32Å; A145-S148 PolarHBondContact O-OG 2.87Å |
| 146 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -69.6 | -13.9 | 172.4 | -74.2 | 170.6 | 0 | 0 | 0 | 113.5 | L118 P119 V122 A142 I143 A144 S148 E149 K179 L183 Y257 | L118-L146 HydrophobicContact CD2-CD1 4.42Å; L118-L146 HydrophobicContact CD2-CD2 4.2Å; P119-L146 HydrophobicContact CG-CD2 3.9Å; V122-L146 HydrophobicContact CB-CD2 4.32Å; V122-L146 HydrophobicContact CG1-CD2 4.2Å; V122-L146 HydrophobicContact CG1-CG 4.19Å; V122-L146 HydrophobicContact CG2-CD2 3.86Å; V122-L146 HydrophobicContact CG2-CG 4.08Å; A142-L146 WeakPolarHBondContact O-CG 3.41Å; A142-L146 PolarHBondContact O-N 3.03Å; I143-L146 WeakPolarHBondContact O-CB 3.24Å; I143-L146 PolarHBondContact O-N 3.5Å; A144-L146 PolarHBondContact O-N 3.14Å; L146-S148 PolarHBondContact O-N 2.92Å; L146-S148 VanDerWaalsContact O-N 3.11Å; L146-E149 WeakPolarHBondContact O-CB 3.32Å; L146-E149 PolarHBondContact O-N 3.16Å; L146-K179 HydrophobicContact CD1-CB 4.33Å; L146-K179 HydrophobicContact CD2-CD 4Å; L146-L183 HydrophobicContact CD1-CD2 4.19Å; L146-Y257 HydrophobicContact CB-CD1 3.42Å; L146-Y257 VanDerWaalsContact CB-CD1 3.42Å; L146-Y257 HydrophobicContact CB-CE1 3.72Å; L146-Y257 HydrophobicContact CB-CG 4.26Å; L146-Y257 HydrophobicContact CD1-CD1 4.47Å; L146-Y257 HydrophobicContact CD1-CE1 4.5Å |
| 147 | S | 98.6 | Very high | 98.6 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -59.4 | -20.4 | 174.5 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | A144 A145 E149 S150 D255 | A144-S147 WeakPolarHBondContact O-CB 3.39Å; A144-S147 PolarHBondContact O-N 2.96Å; A145-S147 PolarHBondContact O-N 2.88Å; S147-E149 PolarHBondContact O-N 3.45Å; S147-S150 WeakPolarHBondContact O-CB 3.37Å; S147-S150 PolarHBondContact O-N 2.94Å; S147-D255 PolarHBondContact OG-OD2 3.25Å |
| 148 | S | 98.5 | Very high | 98.6 | Very high | 74 Ų | 74 | 41 Ų | 41 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -55.5 | -23.9 | 170.1 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | H121 A145 L146 | H121-S148 PolarHBondContact CE1-OG 3.5Å; H121-S148 PolarHBondContact NE2-OG 3.12Å; A145-S148 PolarHBondContact O-N 3.32Å; A145-S148 PolarHBondContact O-OG 2.87Å; L146-S148 PolarHBondContact O-N 2.92Å; L146-S148 VanDerWaalsContact O-N 3.11Å |
| 149 | E | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -94.1 | 4.3 | -179.8 | -56.1 | -74 | 103 | 0 | 0 | 112.7 | P119 L146 S147 K151 K179 | P119-E149 HydrophobicContact CG-CG 4.07Å; L146-E149 WeakPolarHBondContact O-CB 3.32Å; L146-E149 PolarHBondContact O-N 3.16Å; S147-E149 PolarHBondContact O-N 3.45Å; E149-K151 PolarHBondContact O-N 2.95Å; E149-K179 IonicContact OE2-NZ 3.87Å |
| 150 | S | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | trans | -68.6 | 115.2 | -173.5 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | S147 F152 S153 A154 D172 D255 | S147-S150 WeakPolarHBondContact O-CB 3.37Å; S147-S150 PolarHBondContact O-N 2.94Å; S150-F152 PolarHBondContact OG-N 2.93Å; S150-S153 WeakPolarHBondContact OG-CB 3.47Å; S150-S153 PolarHBondContact OG-N 3.5Å; S150-A154 PolarHBondContact O-N 3.37Å; S150-D172 WeakPolarHBondContact CA-OD2 3.39Å; S150-D172 WeakPolarHBondContact CB-OD2 3.43Å; S150-D172 PolarHBondContact OG-OD2 3.27Å; S150-D255 WeakPolarHBondContact OG-CB 3.42Å | ||
| 151 | K | 98.7 | Very high | 98.4 | Very high | 93 Ų | 93 | 47.2 Ų | 47.2 | 40% | 0.404 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.5 | -34.2 | 170.9 | -61.5 | -175.1 | -175.2 | 176.6 | 0 | 111.4 | E149 A155 Y168 E171 D172 | E149-K151 PolarHBondContact O-N 2.95Å; K151-A155 WeakPolarHBondContact O-CB 3.04Å; K151-A155 PolarHBondContact O-N 2.95Å; K151-Y168 HydrophobicContact CB-CD1 4.32Å; K151-E171 HydrophobicContact CD-CB 3.81Å; K151-E171 HydrophobicContact CD-CG 4.27Å; K151-E171 IonicContact NZ-OE2 3.37Å; K151-D172 WeakPolarHBondContact CB-OD1 3.44Å; K151-D172 PolarHBondContact N-OD1 3.44Å; K151-D172 PolarHBondContact N-OD2 2.94Å; K151-D172 VanDerWaalsContact N-OD2 3.13Å |
| 152 | F | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 178 | 178.2 | -104.9 | 0 | 0 | 0 | 111.6 | S150 A154 A155 Y156 Y165 V169 D172 L253 D255 | S150-F152 PolarHBondContact OG-N 2.93Å; F152-A154 PolarHBondContact O-N 3.36Å; F152-A155 PolarHBondContact O-N 3.42Å; F152-Y156 HydrophobicContact CZ-CD2 4.13Å; F152-Y156 WeakPolarHBondContact O-CB 3.31Å; F152-Y156 PolarHBondContact O-N 3.15Å; F152-Y165 HydrophobicContact CE2-CD1 4.06Å; F152-Y165 HydrophobicContact CE2-CD2 4.27Å; F152-Y165 AromaticContact CE2-CG 3.79Å; F152-Y165 HydrophobicContact CE2-CG 3.79Å; F152-Y165 HydrophobicContact CZ-CD2 4.34Å; F152-Y165 HydrophobicContact CZ-CG 4.31Å; F152-V169 HydrophobicContact CB-CG2 4.2Å; F152-V169 HydrophobicContact CD1-CG2 4.19Å; F152-V169 HydrophobicContact CD2-CG2 3.62Å; F152-V169 HydrophobicContact CE2-CG2 4.03Å; F152-V169 HydrophobicContact CG-CG2 3.71Å; F152-V169 HydrophobicContact CZ-CG2 4.47Å; F152-D172 WeakPolarHBondContact CB-OD2 3.48Å; F152-D172 PolarHBondContact N-OD2 3Å; F152-L253 HydrophobicContact CE1-CB 4.32Å; F152-L253 WeakPolarHBondContact CE1-O 3.34Å; F152-L253 HydrophobicContact CZ-CB 4.35Å; F152-L253 HydrophobicContact CZ-CD2 4.49Å; F152-D255 HydrophobicContact CD1-CB 4.24Å |
| 153 | S | 98.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | S150 T157 | S150-S153 WeakPolarHBondContact OG-CB 3.47Å; S150-S153 PolarHBondContact OG-N 3.5Å; S153-T157 PolarHBondContact O-N 2.95Å; S153-T157 VanDerWaalsContact O-N 3.13Å; S153-T157 PolarHBondContact O-OG1 2.89Å |
| 154 | A | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.5 | -47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S150 F152 T157 G158 | S150-A154 PolarHBondContact O-N 3.37Å; F152-A154 PolarHBondContact O-N 3.36Å; A154-T157 PolarHBondContact O-N 3.49Å; A154-G158 PolarHBondContact O-N 3.15Å; A154-G158 VanDerWaalsContact O-N 3.16Å |
| 155 | A | 98.6 | Very high | 98.1 | Very high | 14 Ų | 14 | 56.3 Ų | 56.3 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.1 | -38.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K151 F152 T157 G158 G159 I160 Y168 | K151-A155 WeakPolarHBondContact O-CB 3.04Å; K151-A155 PolarHBondContact O-N 2.95Å; F152-A155 PolarHBondContact O-N 3.42Å; A155-T157 VanDerWaalsContact C-N 3.34Å; A155-T157 PolarHBondContact O-N 2.74Å; A155-G158 CarbonylContact O-C 3.46Å; A155-G158 WeakPolarHBondContact O-CA 3.47Å; A155-G158 PolarHBondContact O-N 3.47Å; A155-G158 VanDerWaalsContact O-N 3.08Å; A155-G159 PolarHBondContact O-N 3.27Å; A155-I160 HydrophobicContact CB-CD1 3.8Å; A155-I160 HydrophobicContact CB-CG1 4.29Å; A155-I160 HydrophobicContact CB-CG2 3.93Å; A155-I160 WeakPolarHBondContact O-CG1 3.41Å; A155-I160 WeakPolarHBondContact O-CG2 3.16Å; A155-I160 PolarHBondContact O-N 2.74Å; A155-Y168 HydrophobicContact CB-CD1 3.48Å; A155-Y168 VanDerWaalsContact CB-CD1 3.48Å; A155-Y168 HydrophobicContact CB-CD2 4.21Å; A155-Y168 HydrophobicContact CB-CE1 3.4Å; A155-Y168 VanDerWaalsContact CB-CE1 3.4Å; A155-Y168 HydrophobicContact CB-CE2 4.14Å; A155-Y168 HydrophobicContact CB-CG 3.89Å |
| 156 | Y | 98.5 | Very high | 98.1 | Very high | 108 Ų | 108 | 56 Ų | 56 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.8 | -176.8 | -90.2 | 0 | 0 | 0 | 111.2 | F152 G158 G159 Y165 L253 | F152-Y156 HydrophobicContact CZ-CD2 4.13Å; F152-Y156 WeakPolarHBondContact O-CB 3.31Å; F152-Y156 PolarHBondContact O-N 3.15Å; Y156-G158 PolarHBondContact O-N 3.24Å; Y156-G159 PolarHBondContact O-N 3.19Å; Y156-Y165 HydrophobicContact CD2-CE1 4.03Å; Y156-Y165 HydrophobicContact CD2-CE2 4.35Å; Y156-Y165 AromaticContact CD2-CZ 3.77Å; Y156-Y165 HydrophobicContact CE2-CE1 4.37Å; Y156-Y165 HydrophobicContact CE2-CE2 4.13Å; Y156-Y165 AromaticContact CE2-CZ 3.66Å; Y156-Y165 VanDerWaalsContact CE2-OH 3.24Å; Y156-Y165 WeakPolarHBondContact CE2-OH 3.25Å; Y156-L253 HydrophobicContact CD2-CD1 4.46Å; Y156-L253 HydrophobicContact CE2-CD1 3.58Å |
| 157 | T | 97.5 | Very high | 98.1 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 72% | 0.724 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.7 | -34 | 174.3 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | S153 A154 A155 G159 | S153-T157 PolarHBondContact O-N 2.95Å; S153-T157 VanDerWaalsContact O-N 3.13Å; S153-T157 PolarHBondContact O-OG1 2.89Å; A154-T157 PolarHBondContact O-N 3.49Å; A155-T157 VanDerWaalsContact C-N 3.34Å; A155-T157 PolarHBondContact O-N 2.74Å; T157-G159 PolarHBondContact O-N 2.99Å |
| 158 | G | 97.2 | Very high | 98.1 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -3.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A154 A155 Y156 | A154-G158 PolarHBondContact O-N 3.15Å; A154-G158 VanDerWaalsContact O-N 3.16Å; A155-G158 CarbonylContact O-C 3.46Å; A155-G158 WeakPolarHBondContact O-CA 3.47Å; A155-G158 PolarHBondContact O-N 3.47Å; A155-G158 VanDerWaalsContact O-N 3.08Å; Y156-G158 PolarHBondContact O-N 3.24Å |
| 159 | G | 97.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 34.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A155 Y156 T157 | A155-G159 PolarHBondContact O-N 3.27Å; Y156-G159 PolarHBondContact O-N 3.19Å; T157-G159 PolarHBondContact O-N 2.99Å |
| 160 | I | 98 | Very high | 98.2 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 14% | 0.138 | 33% | 0.328 | C | S | . | . | trans | -60.2 | 149.4 | 174.4 | 57.3 | 167.1 | 0 | 0 | 0 | 112.7 | A155 Y165 Y168 | A155-I160 HydrophobicContact CB-CD1 3.8Å; A155-I160 HydrophobicContact CB-CG1 4.29Å; A155-I160 HydrophobicContact CB-CG2 3.93Å; A155-I160 WeakPolarHBondContact O-CG1 3.41Å; A155-I160 WeakPolarHBondContact O-CG2 3.16Å; A155-I160 PolarHBondContact O-N 2.74Å; I160-Y165 HydrophobicContact CD1-CD1 3.73Å; I160-Y165 HydrophobicContact CD1-CE1 4.14Å; I160-Y165 HydrophobicContact CG1-CD1 3.94Å; I160-Y165 HydrophobicContact CG1-CE1 3.85Å; I160-Y165 WeakPolarHBondContact O-CE1 3.29Å; I160-Y168 HydrophobicContact CB-CE2 4.42Å; I160-Y168 HydrophobicContact CD1-CD2 3.4Å; I160-Y168 HydrophobicContact CD1-CE2 3.55Å; I160-Y168 HydrophobicContact CD1-CG 4.17Å; I160-Y168 HydrophobicContact CG2-CE2 3.96Å | ||
| 161 | P | 97.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 55.7 Ų | 55.7 | 49% | 0.494 | 33% | 0.331 | S | S | . | . | trans | -68.3 | 146.9 | 177.6 | 27.3 | -33.9 | 0 | 0 | 0 | 112.1 | S163 T164 Y165 | P161-S163 PolarHBondContact O-N 3.49Å; P161-S163 VanDerWaalsContact O-N 3.09Å; P161-T164 HydrophobicContact CG-CG2 3.9Å; P161-T164 PolarHBondContact O-N 2.96Å; P161-T164 PolarHBondContact O-OG1 2.91Å; P161-Y165 WeakPolarHBondContact O-CD1 3.17Å | ||
| 162 | K | 97.2 | Very high | 98.2 | Very high | 122 Ų | 122 | 51.3 Ų | 51.3 | 53% | 0.53 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -53.5 | -34.9 | -179.5 | -174 | 177.3 | 178.6 | -176.4 | 0 | 113.6 | T164 Y165 G414 | K162-T164 PolarHBondContact O-N 3.5Å; K162-Y165 HydrophobicContact CB-CE2 4.22Å; K162-Y165 HydrophobicContact CG-CD2 4.08Å; K162-Y165 HydrophobicContact CG-CE2 3.9Å; K162-Y165 PolarHBondContact O-N 3.43Å; K162-G414 PolarHBondContact NZ-O 3.36Å |
| 163 | S | 96.2 | Very high | 98.2 | Very high | 93 Ų | 93 | 51.1 Ų | 51.1 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -65.9 | -19.3 | -179.3 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | P161 W166 | P161-S163 PolarHBondContact O-N 3.49Å; P161-S163 VanDerWaalsContact O-N 3.09Å; S163-W166 VanDerWaalsContact O-CD1 3.3Å |
| 164 | T | 97.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -103.6 | -0.3 | -179.4 | 64 | 0 | 0 | 0 | 0 | 113.1 | P161 K162 W166 E167 | P161-T164 HydrophobicContact CG-CG2 3.9Å; P161-T164 PolarHBondContact O-N 2.96Å; P161-T164 PolarHBondContact O-OG1 2.91Å; K162-T164 PolarHBondContact O-N 3.5Å; T164-W166 PolarHBondContact O-N 3.06Å; T164-W166 VanDerWaalsContact O-N 3.12Å; T164-E167 WeakPolarHBondContact O-CB 3.32Å; T164-E167 PolarHBondContact O-N 3.15Å |
| 165 | Y | 98.7 | Very high | 98.2 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 12% | 0.122 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.2 | -39.7 | 179.7 | -74.8 | 2.4 | 0 | 0 | 0 | 112.8 | F152 Y156 I160 P161 K162 E167 Y168 V169 L253 | F152-Y165 HydrophobicContact CE2-CD1 4.06Å; F152-Y165 HydrophobicContact CE2-CD2 4.27Å; F152-Y165 AromaticContact CE2-CG 3.79Å; F152-Y165 HydrophobicContact CE2-CG 3.79Å; F152-Y165 HydrophobicContact CZ-CD2 4.34Å; F152-Y165 HydrophobicContact CZ-CG 4.31Å; Y156-Y165 HydrophobicContact CD2-CE1 4.03Å; Y156-Y165 HydrophobicContact CD2-CE2 4.35Å; Y156-Y165 AromaticContact CD2-CZ 3.77Å; Y156-Y165 HydrophobicContact CE2-CE1 4.37Å; Y156-Y165 HydrophobicContact CE2-CE2 4.13Å; Y156-Y165 AromaticContact CE2-CZ 3.66Å; Y156-Y165 VanDerWaalsContact CE2-OH 3.24Å; Y156-Y165 WeakPolarHBondContact CE2-OH 3.25Å; I160-Y165 HydrophobicContact CD1-CD1 3.73Å; I160-Y165 HydrophobicContact CD1-CE1 4.14Å; I160-Y165 HydrophobicContact CG1-CD1 3.94Å; I160-Y165 HydrophobicContact CG1-CE1 3.85Å; I160-Y165 WeakPolarHBondContact O-CE1 3.29Å; P161-Y165 WeakPolarHBondContact O-CD1 3.17Å; K162-Y165 HydrophobicContact CB-CE2 4.22Å; K162-Y165 HydrophobicContact CG-CD2 4.08Å; K162-Y165 HydrophobicContact CG-CE2 3.9Å; K162-Y165 PolarHBondContact O-N 3.43Å; Y165-E167 PolarHBondContact O-N 3.27Å; Y165-Y168 PolarHBondContact O-N 3.19Å; Y165-V169 PolarHBondContact O-N 3.01Å; Y165-V169 VanDerWaalsContact O-N 3.08Å; Y165-L253 HydrophobicContact CD2-CD2 4.15Å; Y165-L253 HydrophobicContact CE2-CD1 3.83Å; Y165-L253 HydrophobicContact CE2-CD2 4.17Å |
| 166 | W | 98.7 | Very high | 98.2 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -29.2 | -179.2 | 78.5 | -91.7 | 0 | 0 | 0 | 112.8 | K6 M9 A10 I13 S163 T164 Y170 I408 R411 A412 | K6-W166 HydrophobicContact CG-CH2 4.08Å; K6-W166 HydrophobicContact CG-CZ3 4.19Å; M9-W166 HydrophobicContact CB-CZ3 4.18Å; A10-W166 HydrophobicContact CB-CH2 3.87Å; A10-W166 HydrophobicContact CB-CZ2 3.93Å; I13-W166 HydrophobicContact CD1-CD2 3.43Å; I13-W166 VanDerWaalsContact CD1-CD2 3.43Å; I13-W166 HydrophobicContact CD1-CE3 3.51Å; I13-W166 HydrophobicContact CD1-CG 4Å; I13-W166 HydrophobicContact CD1-CH2 4.04Å; I13-W166 HydrophobicContact CD1-CZ2 3.98Å; I13-W166 HydrophobicContact CD1-CZ3 3.82Å; S163-W166 VanDerWaalsContact O-CD1 3.3Å; T164-W166 PolarHBondContact O-N 3.06Å; T164-W166 VanDerWaalsContact O-N 3.12Å; W166-Y170 WeakPolarHBondContact O-CB 3.3Å; W166-Y170 PolarHBondContact O-N 3.32Å; W166-I408 HydrophobicContact CE3-CG2 4.16Å; W166-R411 HydrophobicContact CB-CB 4.04Å; W166-A412 HydrophobicContact CB-CB 3.81Å; W166-A412 HydrophobicContact CG-CB 4.06Å |
| 167 | E | 98.8 | Very high | 98.3 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.2 | -38.7 | -177.8 | -62.6 | 177.8 | -149.5 | 0 | 0 | 111.7 | T164 Y165 Y170 E171 | T164-E167 WeakPolarHBondContact O-CB 3.32Å; T164-E167 PolarHBondContact O-N 3.15Å; Y165-E167 PolarHBondContact O-N 3.27Å; E167-Y170 WeakPolarHBondContact O-CB 3.45Å; E167-E171 WeakPolarHBondContact O-CG 3.48Å; E167-E171 PolarHBondContact O-N 3.46Å |
| 168 | Y | 98.8 | Very high | 98.3 | Very high | 80 Ų | 80 | 34.7 Ų | 34.7 | 31% | 0.314 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -81.5 | -36.6 | 178.4 | -63.5 | -91 | 0 | 0 | 0 | 111.5 | K151 A155 I160 Y165 Y170 E171 D172 | K151-Y168 HydrophobicContact CB-CD1 4.32Å; A155-Y168 HydrophobicContact CB-CD1 3.48Å; A155-Y168 VanDerWaalsContact CB-CD1 3.48Å; A155-Y168 HydrophobicContact CB-CD2 4.21Å; A155-Y168 HydrophobicContact CB-CE1 3.4Å; A155-Y168 VanDerWaalsContact CB-CE1 3.4Å; A155-Y168 HydrophobicContact CB-CE2 4.14Å; A155-Y168 HydrophobicContact CB-CG 3.89Å; I160-Y168 HydrophobicContact CB-CE2 4.42Å; I160-Y168 HydrophobicContact CD1-CD2 3.4Å; I160-Y168 HydrophobicContact CD1-CE2 3.55Å; I160-Y168 HydrophobicContact CD1-CG 4.17Å; I160-Y168 HydrophobicContact CG2-CE2 3.96Å; Y165-Y168 PolarHBondContact O-N 3.19Å; Y168-Y170 VanDerWaalsContact C-N 3.26Å; Y168-Y170 PolarHBondContact O-N 2.74Å; Y168-E171 PolarHBondContact O-N 2.99Å; Y168-D172 PolarHBondContact O-N 3.28Å |
| 169 | V | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 170.2 | 165 | 0 | 0 | 0 | 0 | 111.4 | F152 Y165 D172 A173 P256 L407 I408 R411 | F152-V169 HydrophobicContact CB-CG2 4.2Å; F152-V169 HydrophobicContact CD1-CG2 4.19Å; F152-V169 HydrophobicContact CD2-CG2 3.62Å; F152-V169 HydrophobicContact CE2-CG2 4.03Å; F152-V169 HydrophobicContact CG-CG2 3.71Å; F152-V169 HydrophobicContact CZ-CG2 4.47Å; Y165-V169 PolarHBondContact O-N 3.01Å; Y165-V169 VanDerWaalsContact O-N 3.08Å; V169-D172 PolarHBondContact O-N 3.27Å; V169-A173 WeakPolarHBondContact O-CB 3.5Å; V169-A173 PolarHBondContact O-N 3.19Å; V169-P256 HydrophobicContact CB-CG 4.38Å; V169-P256 HydrophobicContact CG1-CG 3.97Å; V169-P256 HydrophobicContact CG2-CG 4.36Å; V169-L407 HydrophobicContact CG1-CD2 4.43Å; V169-L407 HydrophobicContact CG1-CG 4.03Å; V169-I408 HydrophobicContact CG1-CG1 4.11Å; V169-R411 HydrophobicContact CB-CG 4.16Å; V169-R411 HydrophobicContact CG1-CG 4.19Å; V169-R411 HydrophobicContact CG2-CG 3.74Å |
| 170 | Y | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -49 | 170.9 | 169 | -88.2 | 0 | 0 | 0 | 111.7 | L5 K6 M9 W166 E167 Y168 D172 A173 L174 I408 | L5-Y170 HydrophobicContact CB-CE2 4.47Å; L5-Y170 WeakPolarHBondContact CB-OH 3.31Å; L5-Y170 HydrophobicContact CD2-CE2 3.93Å; L5-Y170 HydrophobicContact CG-CE2 3.94Å; K6-Y170 HydrophobicContact CB-CD1 4.34Å; K6-Y170 HydrophobicContact CB-CE1 3.69Å; K6-Y170 HydrophobicContact CB-CE2 4.4Å; K6-Y170 HydrophobicContact CD-CD1 3.93Å; K6-Y170 HydrophobicContact CD-CE1 3.87Å; K6-Y170 HydrophobicContact CG-CD1 4.01Å; K6-Y170 HydrophobicContact CG-CE1 3.86Å; K6-Y170 PolarHBondContact N-OH 3.06Å; M9-Y170 HydrophobicContact SD-CD2 3.85Å; M9-Y170 HydrophobicContact SD-CE2 3.98Å; W166-Y170 WeakPolarHBondContact O-CB 3.3Å; W166-Y170 PolarHBondContact O-N 3.32Å; E167-Y170 WeakPolarHBondContact O-CB 3.45Å; Y168-Y170 VanDerWaalsContact C-N 3.26Å; Y168-Y170 PolarHBondContact O-N 2.74Å; Y170-D172 PolarHBondContact O-N 3.22Å; Y170-A173 PolarHBondContact O-N 3.02Å; Y170-L174 HydrophobicContact CD1-CD1 4.41Å; Y170-L174 HydrophobicContact CD2-CD1 3.76Å; Y170-L174 HydrophobicContact CE1-CD1 4.17Å; Y170-L174 HydrophobicContact CE1-CD2 3.84Å; Y170-L174 HydrophobicContact CE2-CD1 3.48Å; Y170-L174 VanDerWaalsContact CE2-CD1 3.48Å; Y170-L174 HydrophobicContact CE2-CD2 4.17Å; Y170-L174 HydrophobicContact CE2-CG 4.49Å; Y170-L174 HydrophobicContact CG-CD1 4.21Å; Y170-L174 VanDerWaalsContact O-CD1 3.31Å; Y170-L174 WeakPolarHBondContact O-CD1 3.4Å; Y170-L174 PolarHBondContact O-N 3.27Å; Y170-L174 WeakPolarHBondContact OH-CD2 3.46Å; Y170-I408 HydrophobicContact CD2-CD1 4.08Å |
| 171 | E | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 13% | 0.131 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 178.6 | -66.8 | -59.5 | 148.1 | 0 | 0 | 112.3 | K6 R115 K151 E167 Y168 N175 | K6-E171 IonicContact NZ-OE1 3.83Å; K6-E171 PolarHBondContact NZ-OE1 2.99Å; R115-E171 IonicContact CZ-OE2 2.79Å; R115-E171 IonicContact NH1-OE2 3.58Å; R115-E171 PolarHBondContact NH1-OE2 2.75Å; R115-E171 IonicContact NH2-OE2 2.83Å; R115-E171 PolarHBondContact NH2-OE2 3.23Å; K151-E171 HydrophobicContact CD-CB 3.81Å; K151-E171 HydrophobicContact CD-CG 4.27Å; K151-E171 IonicContact NZ-OE2 3.37Å; E167-E171 WeakPolarHBondContact O-CG 3.48Å; E167-E171 PolarHBondContact O-N 3.46Å; Y168-E171 PolarHBondContact O-N 2.99Å; E171-N175 WeakPolarHBondContact O-CB 3.4Å; E171-N175 PolarHBondContact O-N 2.97Å; E171-N175 PolarHBondContact O-ND2 3.13Å; E171-N175 PolarHBondContact O-OD1 2.91Å |
| 172 | D | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.7 | -39.1 | 179.2 | -78.4 | -8.4 | 0 | 0 | 0 | 111.9 | S150 K151 F152 Y168 V169 Y170 N175 L176 P256 Y257 | S150-D172 WeakPolarHBondContact CA-OD2 3.39Å; S150-D172 WeakPolarHBondContact CB-OD2 3.43Å; S150-D172 PolarHBondContact OG-OD2 3.27Å; K151-D172 WeakPolarHBondContact CB-OD1 3.44Å; K151-D172 PolarHBondContact N-OD1 3.44Å; K151-D172 PolarHBondContact N-OD2 2.94Å; K151-D172 VanDerWaalsContact N-OD2 3.13Å; F152-D172 WeakPolarHBondContact CB-OD2 3.48Å; F152-D172 PolarHBondContact N-OD2 3Å; Y168-D172 PolarHBondContact O-N 3.28Å; V169-D172 PolarHBondContact O-N 3.27Å; Y170-D172 PolarHBondContact O-N 3.22Å; D172-N175 PolarHBondContact O-N 2.9Å; D172-L176 VanDerWaalsContact O-CB 3.23Å; D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 PolarHBondContact O-N 2.95Å; D172-P256 HydrophobicContact CB-CB 4.11Å; D172-P256 HydrophobicContact CB-CG 3.61Å; D172-Y257 HydrophobicContact CB-CE2 3.95Å |
| 173 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.1 | -48.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V169 Y170 L176 I177 M404 I408 | V169-A173 WeakPolarHBondContact O-CB 3.5Å; V169-A173 PolarHBondContact O-N 3.19Å; Y170-A173 PolarHBondContact O-N 3.02Å; A173-L176 PolarHBondContact O-N 3.24Å; A173-I177 VanDerWaalsContact O-CG1 3.31Å; A173-I177 WeakPolarHBondContact O-CG1 3.27Å; A173-I177 PolarHBondContact O-N 3.25Å; A173-M404 HydrophobicContact CB-CB 3.94Å; A173-M404 HydrophobicContact CB-CG 4.32Å; A173-M404 HydrophobicContact CB-SD 4.16Å; A173-I408 HydrophobicContact CB-CD1 3.86Å; A173-I408 HydrophobicContact CB-CG1 4.07Å |
| 174 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 177.6 | -93.3 | 69.7 | 0 | 0 | 0 | 111.7 | F91 F112 Y170 A178 | F91-L174 HydrophobicContact CE1-CD1 3.85Å; F91-L174 HydrophobicContact CE1-CG 4.48Å; F91-L174 HydrophobicContact CZ-CD1 4.12Å; F112-L174 HydrophobicContact CE1-CG 4.28Å; Y170-L174 HydrophobicContact CD1-CD1 4.41Å; Y170-L174 HydrophobicContact CD2-CD1 3.76Å; Y170-L174 HydrophobicContact CE1-CD1 4.17Å; Y170-L174 HydrophobicContact CE1-CD2 3.84Å; Y170-L174 HydrophobicContact CE2-CD1 3.48Å; Y170-L174 VanDerWaalsContact CE2-CD1 3.48Å; Y170-L174 HydrophobicContact CE2-CD2 4.17Å; Y170-L174 HydrophobicContact CE2-CG 4.49Å; Y170-L174 HydrophobicContact CG-CD1 4.21Å; Y170-L174 VanDerWaalsContact O-CD1 3.31Å; Y170-L174 WeakPolarHBondContact O-CD1 3.4Å; Y170-L174 PolarHBondContact O-N 3.27Å; Y170-L174 WeakPolarHBondContact OH-CD2 3.46Å; L174-A178 VanDerWaalsContact O-CB 3.28Å; L174-A178 WeakPolarHBondContact O-CB 3.43Å; L174-A178 PolarHBondContact O-N 2.74Å; L174-A178 VanDerWaalsContact O-N 3.07Å |
| 175 | N | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 12.8 Ų | 12.8 | 9% | 0.091 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.4 | -72.7 | -14.1 | 0 | 0 | 0 | 111.4 | R115 E171 D172 A178 K179 Y257 | R115-N175 WeakPolarHBondContact CD-OD1 3.45Å; R115-N175 WeakPolarHBondContact CG-OD1 3.3Å; R115-N175 PolarHBondContact NH1-OD1 3.16Å; E171-N175 WeakPolarHBondContact O-CB 3.4Å; E171-N175 PolarHBondContact O-N 2.97Å; E171-N175 PolarHBondContact O-ND2 3.13Å; E171-N175 PolarHBondContact O-OD1 2.91Å; D172-N175 PolarHBondContact O-N 2.9Å; N175-A178 PolarHBondContact O-N 3.12Å; N175-K179 WeakPolarHBondContact O-CB 3.28Å; N175-K179 WeakPolarHBondContact O-CG 3.37Å; N175-K179 PolarHBondContact O-N 3.15Å; N175-Y257 WeakPolarHBondContact CB-OH 3.43Å |
| 176 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.1 | -57.5 | 177.3 | 173.7 | 58.7 | 0 | 0 | 0 | 110.4 | I143 D172 A173 A178 K179 L180 P256 Y257 F260 M404 | I143-L176 HydrophobicContact CG2-CD1 4.17Å; D172-L176 VanDerWaalsContact O-CB 3.23Å; D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 PolarHBondContact O-N 2.95Å; A173-L176 PolarHBondContact O-N 3.24Å; L176-A178 VanDerWaalsContact C-N 3.27Å; L176-A178 PolarHBondContact O-N 3.37Å; L176-K179 CarbonylContact O-C 3.53Å; L176-K179 PolarHBondContact O-N 2.94Å; L176-L180 HydrophobicContact CD1-CD2 3.61Å; L176-L180 HydrophobicContact CD1-CG 4.1Å; L176-L180 HydrophobicContact CG-CD2 4.35Å; L176-L180 HydrophobicContact CG-CG 4.37Å; L176-L180 WeakPolarHBondContact O-CG 3.4Å; L176-L180 PolarHBondContact O-N 3.26Å; L176-P256 HydrophobicContact CD2-CB 4.49Å; L176-Y257 HydrophobicContact CB-CD1 4.16Å; L176-Y257 HydrophobicContact CB-CE1 3.89Å; L176-Y257 HydrophobicContact CD1-CD1 3.77Å; L176-Y257 HydrophobicContact CD1-CE1 4.09Å; L176-Y257 HydrophobicContact CG-CD1 4.39Å; L176-F260 HydrophobicContact CD1-CD1 4.26Å; L176-F260 HydrophobicContact CD2-CB 3.6Å; L176-F260 HydrophobicContact CD2-CD1 3.88Å; L176-F260 HydrophobicContact CD2-CG 3.84Å; L176-F260 HydrophobicContact CG-CD1 4.4Å; L176-M404 HydrophobicContact CD2-CE 4.42Å; L176-M404 HydrophobicContact CD2-CG 4.44Å; L176-M404 HydrophobicContact CD2-SD 3.75Å |
| 177 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -51.8 | -48.3 | -179.6 | -70.2 | 163.3 | 0 | 0 | 0 | 110.8 | F91 F112 A173 K179 L180 W207 A400 L401 M404 | F91-I177 HydrophobicContact CD2-CD1 3.88Å; F91-I177 HydrophobicContact CE1-CD1 4.22Å; F91-I177 HydrophobicContact CE2-CD1 3.31Å; F91-I177 HydrophobicContact CZ-CD1 3.5Å; F91-I177 VanDerWaalsContact CZ-CD1 3.5Å; F112-I177 HydrophobicContact CD2-CG2 4.41Å; F112-I177 HydrophobicContact CE1-CB 4.45Å; F112-I177 HydrophobicContact CE1-CG2 4Å; F112-I177 HydrophobicContact CE2-CG2 3.81Å; F112-I177 HydrophobicContact CZ-CB 4.42Å; F112-I177 HydrophobicContact CZ-CG2 3.58Å; A173-I177 VanDerWaalsContact O-CG1 3.31Å; A173-I177 WeakPolarHBondContact O-CG1 3.27Å; A173-I177 PolarHBondContact O-N 3.25Å; I177-K179 VanDerWaalsContact C-N 3.31Å; I177-K179 PolarHBondContact O-N 3.2Å; I177-L180 PolarHBondContact O-N 3.35Å; I177-W207 HydrophobicContact CG2-CH2 4.19Å; I177-W207 HydrophobicContact CG2-CZ2 3.73Å; I177-W207 VanDerWaalsContact O-CZ2 3.25Å; I177-W207 WeakPolarHBondContact O-CZ2 3.38Å; I177-W207 PolarHBondContact O-NE1 2.92Å; I177-A400 HydrophobicContact CG1-CB 4.34Å; I177-L401 HydrophobicContact CD1-CD2 4.27Å; I177-L401 HydrophobicContact CG1-CD2 4.48Å; I177-L401 HydrophobicContact CG2-CD2 3.79Å; I177-M404 HydrophobicContact CD1-CB 3.93Å; I177-M404 HydrophobicContact CD1-CG 4.21Å; I177-M404 HydrophobicContact CG1-CB 4.47Å; I177-M404 HydrophobicContact CG1-CG 4.2Å |
| 178 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -59.1 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F112 R115 A116 L174 N175 L176 P182 | F112-A178 HydrophobicContact CB-CB 4.44Å; F112-A178 VanDerWaalsContact O-CB 3.31Å; F112-A178 WeakPolarHBondContact O-CB 3.28Å; R115-A178 HydrophobicContact CB-CB 3.47Å; R115-A178 VanDerWaalsContact CB-CB 3.47Å; A116-A178 HydrophobicContact CB-CB 4.25Å; A116-A178 VanDerWaalsContact CB-O 3.25Å; A116-A178 WeakPolarHBondContact CB-O 3.48Å; L174-A178 VanDerWaalsContact O-CB 3.28Å; L174-A178 WeakPolarHBondContact O-CB 3.43Å; L174-A178 PolarHBondContact O-N 2.74Å; L174-A178 VanDerWaalsContact O-N 3.07Å; N175-A178 PolarHBondContact O-N 3.12Å; L176-A178 VanDerWaalsContact C-N 3.27Å; L176-A178 PolarHBondContact O-N 3.37Å; A178-P182 WeakPolarHBondContact O-CD 3.44Å |
| 179 | K | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 6.8 Ų | 6.8 | 4% | 0.039 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -78.3 | -16.7 | -178.9 | -69.5 | 174.5 | -170.2 | -173.6 | 0 | 113.7 | R115 V117 L118 L146 E149 N175 L176 I177 T181 P182 L183 | R115-K179 WeakPolarHBondContact O-CG 3.36Å; V117-K179 WeakPolarHBondContact O-CD 3.48Å; V117-K179 WeakPolarHBondContact O-CE 3.48Å; L118-K179 HydrophobicContact CD2-CB 3.88Å; L118-K179 HydrophobicContact CD2-CG 4.24Å; L146-K179 HydrophobicContact CD1-CB 4.33Å; L146-K179 HydrophobicContact CD2-CD 4Å; E149-K179 IonicContact OE2-NZ 3.87Å; N175-K179 WeakPolarHBondContact O-CB 3.28Å; N175-K179 WeakPolarHBondContact O-CG 3.37Å; N175-K179 PolarHBondContact O-N 3.15Å; L176-K179 CarbonylContact O-C 3.53Å; L176-K179 PolarHBondContact O-N 2.94Å; I177-K179 VanDerWaalsContact C-N 3.31Å; I177-K179 PolarHBondContact O-N 3.2Å; K179-T181 PolarHBondContact O-N 3.47Å; K179-P182 WeakPolarHBondContact O-CD 3.45Å; K179-P182 WeakPolarHBondContact O-CG 3.34Å; K179-L183 VanDerWaalsContact O-CB 3.24Å; K179-L183 WeakPolarHBondContact O-CB 3.48Å; K179-L183 PolarHBondContact O-N 2.88Å |
| 180 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | -177.6 | -71.5 | -175.8 | 0 | 0 | 0 | 113.1 | F139 I143 L176 I177 L183 A184 F260 V397 A400 | F139-L180 HydrophobicContact CE2-CD2 3.88Å; F139-L180 HydrophobicContact CZ-CD2 3.69Å; F139-L180 HydrophobicContact CZ-CG 4.48Å; I143-L180 HydrophobicContact CD1-CD2 3.99Å; I143-L180 HydrophobicContact CG1-CD2 3.98Å; L176-L180 HydrophobicContact CD1-CD2 3.61Å; L176-L180 HydrophobicContact CD1-CG 4.1Å; L176-L180 HydrophobicContact CG-CD2 4.35Å; L176-L180 HydrophobicContact CG-CG 4.37Å; L176-L180 WeakPolarHBondContact O-CG 3.4Å; L176-L180 PolarHBondContact O-N 3.26Å; I177-L180 PolarHBondContact O-N 3.35Å; L180-L183 PolarHBondContact O-N 3.31Å; L180-A184 WeakPolarHBondContact O-CB 3.25Å; L180-A184 PolarHBondContact O-N 2.91Å; L180-F260 HydrophobicContact CD1-CD1 4.4Å; L180-F260 HydrophobicContact CD1-CE1 3.59Å; L180-F260 HydrophobicContact CD1-CZ 3.91Å; L180-F260 HydrophobicContact CD2-CD1 4.25Å; L180-F260 HydrophobicContact CD2-CE1 3.79Å; L180-F260 HydrophobicContact CG-CE1 4.35Å; L180-V397 HydrophobicContact CB-CG2 4.4Å; L180-A400 HydrophobicContact CD1-CB 3.24Å |
| 181 | T | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.006 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -70.9 | -47.1 | -177.8 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | K179 L183 A185 W207 F211 V397 | K179-T181 PolarHBondContact O-N 3.47Å; T181-L183 VanDerWaalsContact C-N 3.29Å; T181-L183 PolarHBondContact O-N 3.47Å; T181-A185 VanDerWaalsContact O-CB 3.26Å; T181-A185 WeakPolarHBondContact O-CB 3.24Å; T181-A185 PolarHBondContact O-N 2.98Å; T181-W207 HydrophobicContact CG2-CD2 3.91Å; T181-W207 HydrophobicContact CG2-CG 4.36Å; T181-W207 HydrophobicContact CG2-CH2 4.23Å; T181-W207 HydrophobicContact CG2-CZ2 3.47Å; T181-W207 VanDerWaalsContact CG2-CZ2 3.47Å; T181-W207 PolarHBondContact OG1-NE1 2.93Å; T181-F211 HydrophobicContact CG2-CB 3.64Å; T181-F211 HydrophobicContact CG2-CD1 3.82Å; T181-F211 HydrophobicContact CG2-CD2 3.96Å; T181-F211 HydrophobicContact CG2-CE1 4.47Å; T181-F211 HydrophobicContact CG2-CG 3.55Å; T181-F211 WeakPolarHBondContact O-CD2 3.45Å; T181-F211 WeakPolarHBondContact O-CE2 3.43Å; T181-V397 HydrophobicContact CG2-CG1 3.99Å |
| 182 | P | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 10 Ų | 10 | 5% | 0.045 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.6 | -36.4 | 172.5 | 23.8 | -32.7 | 0 | 0 | 0 | 111.8 | A116 L118 A178 K179 M186 M214 | A116-P182 HydrophobicContact CB-CG 4.38Å; L118-P182 HydrophobicContact CD1-CB 4.21Å; L118-P182 HydrophobicContact CD1-CG 4.48Å; L118-P182 HydrophobicContact CG-CB 4.48Å; L118-P182 HydrophobicContact CG-CG 4.32Å; A178-P182 WeakPolarHBondContact O-CD 3.44Å; K179-P182 WeakPolarHBondContact O-CD 3.45Å; K179-P182 WeakPolarHBondContact O-CG 3.34Å; P182-M186 WeakPolarHBondContact O-CB 3.44Å; P182-M186 PolarHBondContact O-N 2.83Å; P182-M214 HydrophobicContact CB-CE 4.2Å; P182-M214 HydrophobicContact CB-SD 3.72Å |
| 183 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.8 | -51.8 | 177.5 | 174.6 | 58.9 | 0 | 0 | 0 | 112 | L118 V122 V126 F139 A142 I143 L146 K179 L180 T181 A185 M186 I187 | L118-L183 HydrophobicContact CD1-CB 4.25Å; L118-L183 HydrophobicContact CD2-CB 4.21Å; V122-L183 HydrophobicContact CG1-CD1 4.49Å; V126-L183 HydrophobicContact CG2-CD1 3.73Å; F139-L183 HydrophobicContact CD2-CD2 3.93Å; F139-L183 HydrophobicContact CD2-CG 4.07Å; F139-L183 HydrophobicContact CE2-CD2 3.99Å; F139-L183 HydrophobicContact CE2-CG 4.2Å; A142-L183 HydrophobicContact CB-CD1 3.51Å; A142-L183 HydrophobicContact CB-CD2 3.87Å; A142-L183 HydrophobicContact CB-CG 4.28Å; I143-L183 HydrophobicContact CG1-CD2 3.88Å; L146-L183 HydrophobicContact CD1-CD2 4.19Å; K179-L183 VanDerWaalsContact O-CB 3.24Å; K179-L183 WeakPolarHBondContact O-CB 3.48Å; K179-L183 PolarHBondContact O-N 2.88Å; L180-L183 PolarHBondContact O-N 3.31Å; T181-L183 VanDerWaalsContact C-N 3.29Å; T181-L183 PolarHBondContact O-N 3.47Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.92Å; L183-M186 HydrophobicContact CD1-CE 3.97Å; L183-M186 PolarHBondContact O-N 3.48Å; L183-I187 HydrophobicContact CD1-CD1 4.1Å; L183-I187 HydrophobicContact CG-CD1 4.22Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 2.58Å |
| 184 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F139 L180 I187 Y188 F211 F390 V393 V397 | F139-A184 HydrophobicContact CE2-CB 4.19Å; L180-A184 WeakPolarHBondContact O-CB 3.25Å; L180-A184 PolarHBondContact O-N 2.91Å; A184-I187 PolarHBondContact O-N 3.03Å; A184-Y188 PolarHBondContact O-N 3Å; A184-F211 HydrophobicContact CB-CE2 3.83Å; A184-F211 HydrophobicContact CB-CZ 3.81Å; A184-F390 HydrophobicContact CB-CZ 4.24Å; A184-F390 WeakPolarHBondContact O-CE2 3.23Å; A184-F390 WeakPolarHBondContact O-CZ 3.17Å; A184-V393 HydrophobicContact CB-CG1 3.73Å; A184-V397 HydrophobicContact CB-CG2 3.79Å |
| 185 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T181 L183 I187 Y188 R189 V198 F211 M214 L215 | T181-A185 VanDerWaalsContact O-CB 3.26Å; T181-A185 WeakPolarHBondContact O-CB 3.24Å; T181-A185 PolarHBondContact O-N 2.98Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.92Å; A185-I187 VanDerWaalsContact C-N 3.32Å; A185-I187 PolarHBondContact O-N 2.59Å; A185-Y188 WeakPolarHBondContact O-CB 3.27Å; A185-Y188 PolarHBondContact O-N 3.27Å; A185-R189 WeakPolarHBondContact O-CG 3.31Å; A185-R189 PolarHBondContact O-N 3.45Å; A185-V198 HydrophobicContact CB-CG1 3.85Å; A185-F211 HydrophobicContact CB-CD2 4.26Å; A185-F211 HydrophobicContact CB-CE2 4.13Å; A185-M214 HydrophobicContact CB-CB 3.46Å; A185-M214 VanDerWaalsContact CB-CB 3.46Å; A185-L215 HydrophobicContact CB-CD2 4.21Å; A185-L215 HydrophobicContact CB-CG 4.32Å |
| 186 | M | 97 | Very high | 94.4 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.034 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.1 | -179 | 174.9 | 51.1 | 0 | 0 | 111.3 | L118 V123 V126 P182 L183 N190 V198 | L118-M186 HydrophobicContact CD1-CE 3.82Å; V123-M186 HydrophobicContact CG1-SD 4.07Å; V126-M186 HydrophobicContact CB-CE 3.55Å; V126-M186 HydrophobicContact CB-SD 4.18Å; V126-M186 HydrophobicContact CG1-CE 3.77Å; V126-M186 HydrophobicContact CG1-CG 3.95Å; V126-M186 HydrophobicContact CG1-SD 4.17Å; V126-M186 HydrophobicContact CG2-CE 3.66Å; P182-M186 WeakPolarHBondContact O-CB 3.44Å; P182-M186 PolarHBondContact O-N 2.83Å; L183-M186 HydrophobicContact CD1-CE 3.97Å; L183-M186 PolarHBondContact O-N 3.48Å; M186-N190 VanDerWaalsContact O-CB 3.23Å; M186-N190 WeakPolarHBondContact O-CB 3.43Å; M186-N190 PolarHBondContact O-N 2.89Å; M186-V198 HydrophobicContact CB-CG1 4.17Å |
| 187 | I | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 174.5 | -67.8 | 165.5 | 0 | 0 | 0 | 110.7 | V126 P135 Q138 F139 L183 A184 A185 R189 N190 C191 F390 | V126-I187 HydrophobicContact CG1-CG1 3.86Å; P135-I187 HydrophobicContact CB-CG2 4.03Å; Q138-I187 HydrophobicContact CB-CD1 4.04Å; Q138-I187 HydrophobicContact CB-CG1 4.14Å; Q138-I187 HydrophobicContact CB-CG2 4.21Å; F139-I187 HydrophobicContact CB-CD1 3.87Å; F139-I187 HydrophobicContact CD2-CD1 3.92Å; F139-I187 HydrophobicContact CG-CD1 4.39Å; L183-I187 HydrophobicContact CD1-CD1 4.1Å; L183-I187 HydrophobicContact CG-CD1 4.22Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 2.58Å; A184-I187 PolarHBondContact O-N 3.03Å; A185-I187 VanDerWaalsContact C-N 3.32Å; A185-I187 PolarHBondContact O-N 2.59Å; I187-R189 PolarHBondContact O-N 3.3Å; I187-N190 PolarHBondContact O-N 2.87Å; I187-C191 WeakPolarHBondContact O-CB 3.36Å; I187-C191 PolarHBondContact O-N 3.21Å; I187-C191 PolarHBondContact O-SG 3.27Å; I187-F390 HydrophobicContact CG2-CE2 4.41Å |
| 188 | Y | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.5 | -51.8 | 178.9 | -179.1 | -104.8 | 0 | 0 | 0 | 111.8 | A184 A185 N190 C191 F192 K193 L215 Y217 M385 E387 F390 | A184-Y188 PolarHBondContact O-N 3Å; A185-Y188 WeakPolarHBondContact O-CB 3.27Å; A185-Y188 PolarHBondContact O-N 3.27Å; Y188-N190 PolarHBondContact O-N 3.38Å; Y188-C191 PolarHBondContact O-N 2.99Å; Y188-F192 AromaticContact CD2-CD2 3.51Å; Y188-F192 HydrophobicContact CD2-CD2 3.51Å; Y188-F192 HydrophobicContact CD2-CE2 4.01Å; Y188-F192 AromaticContact CE2-CD2 3.79Å; Y188-F192 HydrophobicContact CE2-CD2 3.79Å; Y188-F192 HydrophobicContact CE2-CE2 4.45Å; Y188-F192 HydrophobicContact CG-CD2 4.18Å; Y188-F192 WeakPolarHBondContact O-CB 3.24Å; Y188-F192 WeakPolarHBondContact O-CD2 3.39Å; Y188-F192 PolarHBondContact O-N 3.43Å; Y188-K193 HydrophobicContact CD1-CG 4.45Å; Y188-K193 HydrophobicContact CE1-CD 4.4Å; Y188-K193 HydrophobicContact CE1-CG 4.09Å; Y188-K193 WeakPolarHBondContact OH-CE 3.41Å; Y188-K193 PolarHBondContact OH-NZ 3.14Å; Y188-L215 HydrophobicContact CD1-CB 4.36Å; Y188-L215 HydrophobicContact CD1-CD2 3.59Å; Y188-L215 HydrophobicContact CD2-CD2 4.29Å; Y188-L215 HydrophobicContact CE1-CD2 4.36Å; Y188-L215 HydrophobicContact CG-CD2 3.55Å; Y188-Y217 HydrophobicContact CE1-CE2 4.09Å; Y188-Y217 PolarHBondContact OH-OH 3.25Å; Y188-M385 HydrophobicContact CE2-CG 4.43Å; Y188-M385 HydrophobicContact CE2-SD 4.17Å; Y188-E387 HydrophobicContact CE2-CB 4.28Å; Y188-E387 HydrophobicContact CE2-CG 4.32Å; Y188-E387 WeakPolarHBondContact CE2-OE2 3.47Å; Y188-E387 PolarHBondContact OH-OE1 3.39Å; Y188-E387 PolarHBondContact OH-OE2 2.8Å; Y188-F390 HydrophobicContact CD2-CB 4.24Å; Y188-F390 AromaticContact CD2-CD1 3.5Å; Y188-F390 HydrophobicContact CD2-CD1 3.5Å; Y188-F390 VanDerWaalsContact CD2-CD1 3.5Å; Y188-F390 AromaticContact CD2-CD2 3.97Å; Y188-F390 HydrophobicContact CD2-CD2 3.97Å; Y188-F390 AromaticContact CD2-CE1 3.76Å; Y188-F390 HydrophobicContact CD2-CE1 3.76Å; Y188-F390 HydrophobicContact CD2-CE2 4.21Å; Y188-F390 AromaticContact CD2-CG 3.62Å; Y188-F390 HydrophobicContact CD2-CG 3.62Å; Y188-F390 HydrophobicContact CD2-CZ 4.13Å; Y188-F390 HydrophobicContact CE2-CD1 4.12Å; Y188-F390 HydrophobicContact CE2-CG 4.35Å; Y188-F390 HydrophobicContact CG-CD1 4.34Å; Y188-F390 HydrophobicContact CG-CE1 4.16Å; Y188-F390 HydrophobicContact CG-CE2 4.42Å; Y188-F390 HydrophobicContact CG-CZ 4.22Å |
| 189 | R | 95.6 | Very high | 93 | Very high | 64 Ų | 64 | 32.5 Ų | 32.5 | 24% | 0.242 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | -178 | -63.7 | -165.7 | 76.2 | 148 | 3.3 | 111.3 | A185 I187 C191 F192 K193 D194 A195 T197 M214 | A185-R189 WeakPolarHBondContact O-CG 3.31Å; A185-R189 PolarHBondContact O-N 3.45Å; I187-R189 PolarHBondContact O-N 3.3Å; R189-C191 VanDerWaalsContact C-N 3.33Å; R189-C191 PolarHBondContact O-N 2.99Å; R189-F192 PolarHBondContact O-N 3.5Å; R189-K193 HydrophobicContact CB-CB 4.49Å; R189-K193 CarbonylContact O-C 2.78Å; R189-K193 WeakPolarHBondContact O-CA 3.45Å; R189-K193 PolarHBondContact O-N 2.96Å; R189-D194 PolarHBondContact O-N 3.3Å; R189-A195 CarbonylContact C-O 3.49Å; R189-A195 WeakPolarHBondContact CA-O 3.43Å; R189-A195 WeakPolarHBondContact CB-O 3.48Å; R189-T197 WeakPolarHBondContact CD-O 3.18Å; R189-T197 PolarHBondContact NE-O 3.49Å; R189-T197 PolarHBondContact NH1-O 2.88Å; R189-M214 WeakPolarHBondContact CD-O 3.26Å |
| 190 | N | 93.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | -179.2 | -170.2 | 25.9 | 0 | 0 | 0 | 111.7 | V126 M186 I187 Y188 A195 | V126-N190 PolarHBondContact O-ND2 3.17Å; M186-N190 VanDerWaalsContact O-CB 3.23Å; M186-N190 WeakPolarHBondContact O-CB 3.43Å; M186-N190 PolarHBondContact O-N 2.89Å; I187-N190 PolarHBondContact O-N 2.87Å; Y188-N190 PolarHBondContact O-N 3.38Å; N190-A195 WeakPolarHBondContact CA-O 3.3Å; N190-A195 PolarHBondContact N-O 2.95Å |
| 191 | C | 94 | Very high | 92.8 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74 | -37.8 | -179.9 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | Q138 I187 Y188 R189 | Q138-C191 PolarHBondContact NE2-SG 3.03Å; I187-C191 WeakPolarHBondContact O-CB 3.36Å; I187-C191 PolarHBondContact O-N 3.21Å; I187-C191 PolarHBondContact O-SG 3.27Å; Y188-C191 PolarHBondContact O-N 2.99Å; R189-C191 VanDerWaalsContact C-N 3.33Å; R189-C191 PolarHBondContact O-N 2.99Å |
| 192 | F | 94.6 | Very high | 92.7 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -126.7 | -15.7 | -160.8 | -52.3 | -60.4 | 0 | 0 | 0 | 115.6 | P135 Y188 R189 E387 F390 | P135-F192 HydrophobicContact CG-CE2 4.15Å; P135-F192 HydrophobicContact CG-CZ 3.73Å; Y188-F192 AromaticContact CD2-CD2 3.51Å; Y188-F192 HydrophobicContact CD2-CD2 3.51Å; Y188-F192 HydrophobicContact CD2-CE2 4.01Å; Y188-F192 AromaticContact CE2-CD2 3.79Å; Y188-F192 HydrophobicContact CE2-CD2 3.79Å; Y188-F192 HydrophobicContact CE2-CE2 4.45Å; Y188-F192 HydrophobicContact CG-CD2 4.18Å; Y188-F192 WeakPolarHBondContact O-CB 3.24Å; Y188-F192 WeakPolarHBondContact O-CD2 3.39Å; Y188-F192 PolarHBondContact O-N 3.43Å; R189-F192 PolarHBondContact O-N 3.5Å; F192-E387 HydrophobicContact CB-CG 3.93Å; F192-E387 HydrophobicContact CD1-CB 4.07Å; F192-E387 HydrophobicContact CD1-CG 3.75Å; F192-E387 HydrophobicContact CD2-CB 4.01Å; F192-E387 HydrophobicContact CD2-CG 4.02Å; F192-E387 HydrophobicContact CE1-CB 4.06Å; F192-E387 HydrophobicContact CE1-CG 4.25Å; F192-E387 HydrophobicContact CE2-CB 4.02Å; F192-E387 HydrophobicContact CG-CB 4.04Å; F192-E387 HydrophobicContact CG-CG 3.62Å; F192-E387 HydrophobicContact CZ-CB 4.03Å; F192-F390 HydrophobicContact CE2-CB 3.84Å; F192-F390 HydrophobicContact CE2-CD2 4.1Å; F192-F390 HydrophobicContact CE2-CG 4.22Å; F192-F390 HydrophobicContact CZ-CB 4.38Å |
| 193 | K | 92.1 | Very high | 92.7 | Very high | 87 Ų | 87 | 46 Ų | 46 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -119.8 | 8.7 | -174 | -53.3 | -58.4 | -178 | -159.8 | 0 | 113.6 | Y188 R189 A195 E387 | Y188-K193 HydrophobicContact CD1-CG 4.45Å; Y188-K193 HydrophobicContact CE1-CD 4.4Å; Y188-K193 HydrophobicContact CE1-CG 4.09Å; Y188-K193 WeakPolarHBondContact OH-CE 3.41Å; Y188-K193 PolarHBondContact OH-NZ 3.14Å; R189-K193 HydrophobicContact CB-CB 4.49Å; R189-K193 CarbonylContact O-C 2.78Å; R189-K193 WeakPolarHBondContact O-CA 3.45Å; R189-K193 PolarHBondContact O-N 2.96Å; K193-A195 PolarHBondContact O-N 3.26Å; K193-E387 IonicContact NZ-OE1 3.2Å; K193-E387 PolarHBondContact NZ-OE1 3.1Å |
| 194 | D | 81.9 | Confident | 92.5 | Very high | 129 Ų | 129 | 52.1 Ų | 52.1 | 69% | 0.69 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 48.3 | 30.3 | -175.8 | -67.2 | -37 | 0 | 0 | 0 | 113.5 | K131 R189 | K131-D194 IonicContact NZ-OD1 3Å; K131-D194 PolarHBondContact NZ-OD1 3.37Å; R189-D194 PolarHBondContact O-N 3.3Å |
| 195 | A | 80.3 | Confident | 92.5 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | trans | -134 | 137.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108 | R189 N190 K193 | R189-A195 CarbonylContact C-O 3.49Å; R189-A195 WeakPolarHBondContact CA-O 3.43Å; R189-A195 WeakPolarHBondContact CB-O 3.48Å; N190-A195 WeakPolarHBondContact CA-O 3.3Å; N190-A195 PolarHBondContact N-O 2.95Å; K193-A195 PolarHBondContact O-N 3.26Å | ||
| 196 | S | 73.2 | Confident | 92.5 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 33% | 0.329 | 31% | 0.31 | S | S | . | . | trans | -108.3 | -16.6 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 197 | T | 83.6 | Confident | 92.6 | Very high | 110 Ų | 110 | 56.3 Ų | 56.3 | 68% | 0.675 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 129.8 | -178.5 | -23.4 | 0 | 0 | 0 | 0 | 111 | R189 | R189-T197 WeakPolarHBondContact CD-O 3.18Å; R189-T197 PolarHBondContact NE-O 3.49Å; R189-T197 PolarHBondContact NH1-O 2.88Å |
| 198 | V | 91 | Very high | 92.6 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 151.2 | 168.1 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | A185 M186 M214 | A185-V198 HydrophobicContact CB-CG1 3.85Å; M186-V198 HydrophobicContact CB-CG1 4.17Å; V198-M214 HydrophobicContact CB-CB 4.13Å; V198-M214 HydrophobicContact CB-CG 4.15Å; V198-M214 HydrophobicContact CB-SD 4.44Å; V198-M214 HydrophobicContact CG1-CB 4.33Å; V198-M214 HydrophobicContact CG2-SD 4.37Å |
| 199 | C | 93.1 | Very high | 92.7 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 154.2 | 173.4 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 200 | P | 95.4 | Very high | 92.8 | Very high | 117 Ų | 117 | 53.7 Ų | 53.7 | 76% | 0.76 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 157.1 | 174.7 | 28.3 | -35.3 | 0 | 0 | 0 | 111.3 | D202 | P200-D202 PolarHBondContact O-N 3.33Š|
| 201 | I | 97.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 23% | 0.226 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 127.2 | 172.5 | -64.4 | -67 | 0 | 0 | 0 | 109.5 | N113 A116 N210 M214 | N113-I201 HydrophobicContact CB-CG2 3.73Å; A116-I201 HydrophobicContact CB-CD1 3.94Å; A116-I201 HydrophobicContact CB-CG1 3.91Å; I201-N210 HydrophobicContact CD1-CB 4.22Å; I201-M214 HydrophobicContact CD1-CE 3.75Å; I201-M214 HydrophobicContact CD1-SD 3.84Å |
| 202 | D | 97.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 117.8 | 171.1 | -177 | -19.6 | 0 | 0 | 0 | 108.9 | N113 P200 E204 K205 N210 | N113-D202 PolarHBondContact ND2-O 3.17Å; P200-D202 PolarHBondContact O-N 3.33Å; D202-E204 PolarHBondContact O-N 3.48Å; D202-E204 VanDerWaalsContact O-N 3.17Å; D202-E204 WeakPolarHBondContact OD1-CB 3.42Å; D202-E204 PolarHBondContact OD1-N 3.38Å; D202-K205 HydrophobicContact CB-CB 4.13Å; D202-K205 HydrophobicContact CB-CD 3.82Å; D202-K205 HydrophobicContact CB-CG 3.9Å; D202-K205 PolarHBondContact O-N 2.97Å; D202-K205 VanDerWaalsContact OD2-CE 3.28Å; D202-K205 WeakPolarHBondContact OD2-CE 3.46Å; D202-K205 IonicContact OD2-NZ 3.71Å; D202-N210 PolarHBondContact N-OD1 2.97Å; D202-N210 PolarHBondContact O-ND2 3.48Å; D202-N210 PolarHBondContact O-OD1 3.44Å |
| 203 | P | 96.7 | Very high | 93.4 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 53% | 0.532 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.4 | -177.6 | 27.1 | -34.9 | 0 | 0 | 0 | 113.7 | N113 | N113-P203 PolarHBondContact ND2-O 3.47Š|
| 204 | E | 95.5 | Very high | 93.7 | Very high | 130 Ų | 130 | 45.5 Ų | 45.5 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -16.2 | 179.4 | -64.2 | -50.5 | 128.8 | 0 | 0 | 113.6 | R109 D202 | R109-E204 PolarHBondContact NH1-O 3.42Å; R109-E204 IonicContact NH2-OE2 3.59Å; R109-E204 PolarHBondContact NH2-OE2 3.41Å; D202-E204 PolarHBondContact O-N 3.48Å; D202-E204 VanDerWaalsContact O-N 3.17Å; D202-E204 WeakPolarHBondContact OD1-CB 3.42Å; D202-E204 PolarHBondContact OD1-N 3.38Å |
| 205 | K | 97.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 39.5 Ų | 39.5 | 34% | 0.335 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -84.8 | 144.4 | 175.9 | -71.1 | -178.4 | -169.4 | 169.1 | 0 | 111.5 | R109 N113 D202 A209 N210 | R109-K205 WeakPolarHBondContact CD-O 3.24Å; N113-K205 PolarHBondContact ND2-O 3.31Å; D202-K205 HydrophobicContact CB-CB 4.13Å; D202-K205 HydrophobicContact CB-CD 3.82Å; D202-K205 HydrophobicContact CB-CG 3.9Å; D202-K205 PolarHBondContact O-N 2.97Å; D202-K205 VanDerWaalsContact OD2-CE 3.28Å; D202-K205 WeakPolarHBondContact OD2-CE 3.46Å; D202-K205 IonicContact OD2-NZ 3.71Å; K205-A209 HydrophobicContact CB-CB 3.89Å; K205-A209 HydrophobicContact CD-CB 4.29Å; K205-A209 HydrophobicContact CG-CB 4.15Å; K205-N210 HydrophobicContact CB-CB 4.48Å; K205-N210 PolarHBondContact O-ND2 2.96Å |
| 206 | D | 98.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.08 | 25% | 0.246 | C | C | . | . | trans | -71.3 | 169.8 | 165.9 | 62.9 | 88.5 | 0 | 0 | 0 | 111.9 | P86 E88 A208 A209 N210 R227 | P86-D206 HydrophobicContact CB-CB 3.99Å; P86-D206 HydrophobicContact CG-CB 4.35Å; E88-D206 WeakPolarHBondContact OE1-CA 3.47Å; E88-D206 WeakPolarHBondContact OE1-CB 3.28Å; D206-A208 VanDerWaalsContact C-N 3.3Å; D206-A208 PolarHBondContact O-N 2.86Å; D206-A208 WeakPolarHBondContact OD1-CB 3.36Å; D206-A208 PolarHBondContact OD1-N 3.45Å; D206-A209 PolarHBondContact O-N 3.26Å; D206-A209 PolarHBondContact OD1-N 3.19Å; D206-A209 WeakPolarHBondContact OD2-CB 3.47Å; D206-N210 PolarHBondContact O-N 2.57Å; D206-R227 IonicContact OD1-CZ 2.74Å; D206-R227 IonicContact OD1-NE 2.74Å; D206-R227 PolarHBondContact OD1-NE 3.14Å; D206-R227 IonicContact OD1-NH2 3.71Å; D206-R227 IonicContact OD2-CZ 3.19Å; D206-R227 IonicContact OD2-NE 3.89Å; D206-R227 PolarHBondContact OD2-NE 3.38Å; D206-R227 IonicContact OD2-NH2 3.54Å; D206-R227 PolarHBondContact OD2-NH2 3.37Å | ||
| 207 | W | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.6 | -40.5 | -174.4 | -168.9 | 62.1 | 0 | 0 | 0 | 113.1 | A87 E88 F112 I177 T181 F211 L230 V397 L401 | A87-W207 HydrophobicContact CB-CE3 3.99Å; A87-W207 HydrophobicContact CB-CZ3 4.36Å; E88-W207 WeakPolarHBondContact OE1-CB 3.46Å; E88-W207 PolarHBondContact OE1-N 3.23Å; F112-W207 HydrophobicContact CD2-CB 4.11Å; F112-W207 AromaticContact CD2-CD1 3.99Å; F112-W207 HydrophobicContact CD2-CD2 4.47Å; F112-W207 AromaticContact CD2-CG 3.95Å; F112-W207 HydrophobicContact CD2-CG 3.95Å; I177-W207 HydrophobicContact CG2-CH2 4.19Å; I177-W207 HydrophobicContact CG2-CZ2 3.73Å; I177-W207 VanDerWaalsContact O-CZ2 3.25Å; I177-W207 WeakPolarHBondContact O-CZ2 3.38Å; I177-W207 PolarHBondContact O-NE1 2.92Å; T181-W207 HydrophobicContact CG2-CD2 3.91Å; T181-W207 HydrophobicContact CG2-CG 4.36Å; T181-W207 HydrophobicContact CG2-CH2 4.23Å; T181-W207 HydrophobicContact CG2-CZ2 3.47Å; T181-W207 VanDerWaalsContact CG2-CZ2 3.47Å; T181-W207 PolarHBondContact OG1-NE1 2.93Å; W207-F211 WeakPolarHBondContact O-CB 3.14Å; W207-F211 PolarHBondContact O-N 3.47Å; W207-L230 HydrophobicContact CE3-CD1 3.85Å; W207-L230 HydrophobicContact CZ3-CD1 3.84Å; W207-L230 HydrophobicContact CZ3-CD2 4.01Å; W207-L230 HydrophobicContact CZ3-CG 4.36Å; W207-V397 HydrophobicContact CH2-CG1 3.37Å; W207-V397 HydrophobicContact CZ2-CG1 3.81Å; W207-V397 HydrophobicContact CZ3-CG1 4.12Å; W207-L401 HydrophobicContact CH2-CD2 4.16Å; W207-L401 HydrophobicContact CZ3-CD1 4.19Å; W207-L401 HydrophobicContact CZ3-CD2 4.07Å; W207-L401 HydrophobicContact CZ3-CG 4.35Å |
| 208 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.7 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D206 N210 F211 A212 L226 R227 L230 | D206-A208 VanDerWaalsContact C-N 3.3Å; D206-A208 PolarHBondContact O-N 2.86Å; D206-A208 WeakPolarHBondContact OD1-CB 3.36Å; D206-A208 PolarHBondContact OD1-N 3.45Å; A208-N210 PolarHBondContact O-N 3.41Å; A208-F211 WeakPolarHBondContact O-CB 3.4Å; A208-F211 PolarHBondContact O-N 3.43Å; A208-F211 VanDerWaalsContact O-N 3.14Å; A208-A212 PolarHBondContact O-N 3.03Å; A208-L226 HydrophobicContact CB-CG 4.36Å; A208-R227 HydrophobicContact CB-CB 4.36Å; A208-R227 HydrophobicContact CB-CG 3.47Å; A208-R227 VanDerWaalsContact CB-CG 3.47Å; A208-L230 HydrophobicContact CB-CD1 3.78Å |
| 209 | A | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K205 D206 A213 I223 | K205-A209 HydrophobicContact CB-CB 3.89Å; K205-A209 HydrophobicContact CD-CB 4.29Å; K205-A209 HydrophobicContact CG-CB 4.15Å; D206-A209 PolarHBondContact O-N 3.26Å; D206-A209 PolarHBondContact OD1-N 3.19Å; D206-A209 WeakPolarHBondContact OD2-CB 3.47Å; A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 3.33Å; A209-A213 VanDerWaalsContact O-N 3.13Å; A209-I223 HydrophobicContact CB-CG2 3.77Å |
| 210 | N | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 170.8 | -89.8 | -46.3 | 0 | 0 | 0 | 111.3 | N113 I201 D202 K205 D206 A208 A213 M214 | N113-N210 PolarHBondContact OD1-ND2 2.94Å; N113-N210 VanDerWaalsContact OD1-ND2 3.11Å; I201-N210 HydrophobicContact CD1-CB 4.22Å; D202-N210 PolarHBondContact N-OD1 2.97Å; D202-N210 PolarHBondContact O-ND2 3.48Å; D202-N210 PolarHBondContact O-OD1 3.44Å; K205-N210 HydrophobicContact CB-CB 4.48Å; K205-N210 PolarHBondContact O-ND2 2.96Å; D206-N210 PolarHBondContact O-N 2.57Å; A208-N210 PolarHBondContact O-N 3.41Å; N210-A213 PolarHBondContact O-N 3.22Å; N210-M214 HydrophobicContact CB-CE 4.42Å; N210-M214 WeakPolarHBondContact O-CE 3.39Å; N210-M214 WeakPolarHBondContact O-CG 3.26Å; N210-M214 PolarHBondContact O-N 3.25Å |
| 211 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -47.7 | 179.2 | -171.7 | -156.4 | 0 | 0 | 0 | 112.6 | T181 A184 A185 W207 A208 A213 M214 L215 L226 L394 V397 | T181-F211 HydrophobicContact CG2-CB 3.64Å; T181-F211 HydrophobicContact CG2-CD1 3.82Å; T181-F211 HydrophobicContact CG2-CD2 3.96Å; T181-F211 HydrophobicContact CG2-CE1 4.47Å; T181-F211 HydrophobicContact CG2-CG 3.55Å; T181-F211 WeakPolarHBondContact O-CD2 3.45Å; T181-F211 WeakPolarHBondContact O-CE2 3.43Å; A184-F211 HydrophobicContact CB-CE2 3.83Å; A184-F211 HydrophobicContact CB-CZ 3.81Å; A185-F211 HydrophobicContact CB-CD2 4.26Å; A185-F211 HydrophobicContact CB-CE2 4.13Å; W207-F211 WeakPolarHBondContact O-CB 3.14Å; W207-F211 PolarHBondContact O-N 3.47Å; A208-F211 WeakPolarHBondContact O-CB 3.4Å; A208-F211 PolarHBondContact O-N 3.43Å; A208-F211 VanDerWaalsContact O-N 3.14Å; F211-A213 VanDerWaalsContact C-N 3.34Å; F211-A213 PolarHBondContact O-N 2.78Å; F211-M214 PolarHBondContact O-N 2.67Å; F211-L215 HydrophobicContact CD1-CD1 4.36Å; F211-L215 HydrophobicContact CD2-CD1 3.89Å; F211-L215 HydrophobicContact CD2-CG 3.91Å; F211-L215 HydrophobicContact CE1-CD1 4.2Å; F211-L215 HydrophobicContact CE2-CD1 3.72Å; F211-L215 HydrophobicContact CE2-CD2 3.88Å; F211-L215 HydrophobicContact CE2-CG 3.71Å; F211-L215 HydrophobicContact CG-CD1 4.21Å; F211-L215 HydrophobicContact CZ-CD1 3.88Å; F211-L215 HydrophobicContact CZ-CD2 4.34Å; F211-L215 HydrophobicContact CZ-CG 4.32Å; F211-L215 WeakPolarHBondContact O-CG 3.19Å; F211-L215 PolarHBondContact O-N 2.89Å; F211-L226 HydrophobicContact CB-CD2 4.1Å; F211-L226 HydrophobicContact CD1-CD1 4.28Å; F211-L226 HydrophobicContact CD1-CD2 3.76Å; F211-L226 HydrophobicContact CD1-CG 4.36Å; F211-L226 HydrophobicContact CE1-CD1 4.45Å; F211-L226 HydrophobicContact CG-CD2 4.17Å; F211-L394 HydrophobicContact CE1-CD2 3.68Å; F211-L394 HydrophobicContact CZ-CD2 3.8Å; F211-V397 HydrophobicContact CD1-CG1 4.43Å; F211-V397 HydrophobicContact CE1-CB 4.44Å; F211-V397 HydrophobicContact CE1-CG1 4.05Å; F211-V397 HydrophobicContact CE1-CG2 4.36Å; F211-V397 HydrophobicContact CZ-CG2 4.26Å |
| 212 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A208 M214 L215 G216 Y217 F222 I223 L226 | A208-A212 PolarHBondContact O-N 3.03Å; A212-M214 PolarHBondContact O-N 3.39Å; A212-L215 WeakPolarHBondContact O-CB 3.43Å; A212-L215 PolarHBondContact O-N 3.24Å; A212-G216 PolarHBondContact O-N 2.89Å; A212-G216 VanDerWaalsContact O-N 3.11Å; A212-Y217 CarbonylContact C-O 3.58Å; A212-Y217 PolarHBondContact O-N 2.6Å; A212-F222 HydrophobicContact CB-CD1 4.03Å; A212-F222 HydrophobicContact CB-CE1 4.06Å; A212-I223 HydrophobicContact CB-CG1 3.69Å; A212-L226 HydrophobicContact CB-CD2 3.94Å |
| 213 | A | 97.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 44 Ų | 44 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A209 N210 F211 L215 G216 | A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 3.33Å; A209-A213 VanDerWaalsContact O-N 3.13Å; N210-A213 PolarHBondContact O-N 3.22Å; F211-A213 VanDerWaalsContact C-N 3.34Å; F211-A213 PolarHBondContact O-N 2.78Å; A213-L215 VanDerWaalsContact C-N 3.32Å; A213-L215 PolarHBondContact O-N 3.11Å; A213-G216 PolarHBondContact O-N 3.22Å |
| 214 | M | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -31.9 | 177.4 | -70.6 | -174.9 | -69.2 | 0 | 0 | 112.7 | P182 A185 R189 V198 I201 N210 F211 A212 G216 | P182-M214 HydrophobicContact CB-CE 4.2Å; P182-M214 HydrophobicContact CB-SD 3.72Å; A185-M214 HydrophobicContact CB-CB 3.46Å; A185-M214 VanDerWaalsContact CB-CB 3.46Å; R189-M214 WeakPolarHBondContact CD-O 3.26Å; V198-M214 HydrophobicContact CB-CB 4.13Å; V198-M214 HydrophobicContact CB-CG 4.15Å; V198-M214 HydrophobicContact CB-SD 4.44Å; V198-M214 HydrophobicContact CG1-CB 4.33Å; V198-M214 HydrophobicContact CG2-SD 4.37Å; I201-M214 HydrophobicContact CD1-CE 3.75Å; I201-M214 HydrophobicContact CD1-SD 3.84Å; N210-M214 HydrophobicContact CB-CE 4.42Å; N210-M214 WeakPolarHBondContact O-CE 3.39Å; N210-M214 WeakPolarHBondContact O-CG 3.26Å; N210-M214 PolarHBondContact O-N 3.25Å; F211-M214 PolarHBondContact O-N 2.67Å; A212-M214 PolarHBondContact O-N 3.39Å; M214-G216 PolarHBondContact O-N 3.27Å |
| 215 | L | 97.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.7 | -19.2 | 171.9 | -70.4 | 166.4 | 0 | 0 | 0 | 112.8 | A185 Y188 F211 A212 A213 Y217 F390 | A185-L215 HydrophobicContact CB-CD2 4.21Å; A185-L215 HydrophobicContact CB-CG 4.32Å; Y188-L215 HydrophobicContact CD1-CB 4.36Å; Y188-L215 HydrophobicContact CD1-CD2 3.59Å; Y188-L215 HydrophobicContact CD2-CD2 4.29Å; Y188-L215 HydrophobicContact CE1-CD2 4.36Å; Y188-L215 HydrophobicContact CG-CD2 3.55Å; F211-L215 HydrophobicContact CD1-CD1 4.36Å; F211-L215 HydrophobicContact CD2-CD1 3.89Å; F211-L215 HydrophobicContact CD2-CG 3.91Å; F211-L215 HydrophobicContact CE1-CD1 4.2Å; F211-L215 HydrophobicContact CE2-CD1 3.72Å; F211-L215 HydrophobicContact CE2-CD2 3.88Å; F211-L215 HydrophobicContact CE2-CG 3.71Å; F211-L215 HydrophobicContact CG-CD1 4.21Å; F211-L215 HydrophobicContact CZ-CD1 3.88Å; F211-L215 HydrophobicContact CZ-CD2 4.34Å; F211-L215 HydrophobicContact CZ-CG 4.32Å; F211-L215 WeakPolarHBondContact O-CG 3.19Å; F211-L215 PolarHBondContact O-N 2.89Å; A212-L215 WeakPolarHBondContact O-CB 3.43Å; A212-L215 PolarHBondContact O-N 3.24Å; A213-L215 VanDerWaalsContact C-N 3.32Å; A213-L215 PolarHBondContact O-N 3.11Å; L215-Y217 HydrophobicContact CB-CD2 3.8Å; L215-Y217 HydrophobicContact CB-CE2 4.29Å; L215-F390 HydrophobicContact CD2-CE1 3.9Å; L215-F390 HydrophobicContact CD2-CZ 4.08Å |
| 216 | G | 96.5 | Very high | 97.9 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 51% | 0.505 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 21.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A212 A213 M214 | A212-G216 PolarHBondContact O-N 2.89Å; A212-G216 VanDerWaalsContact O-N 3.11Å; A213-G216 PolarHBondContact O-N 3.22Å; M214-G216 PolarHBondContact O-N 3.27Å |
| 217 | Y | 96.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | trans | -106 | 121.7 | 176.3 | -69.3 | -94.6 | 0 | 0 | 0 | 110.7 | Y188 A212 L215 F222 F383 G384 M385 | Y188-Y217 HydrophobicContact CE1-CE2 4.09Å; Y188-Y217 PolarHBondContact OH-OH 3.25Å; A212-Y217 CarbonylContact C-O 3.58Å; A212-Y217 PolarHBondContact O-N 2.6Å; L215-Y217 HydrophobicContact CB-CD2 3.8Å; L215-Y217 HydrophobicContact CB-CE2 4.29Å; Y217-F222 AromaticContact CD1-CD1 3.99Å; Y217-F222 HydrophobicContact CD1-CD1 3.99Å; Y217-F222 HydrophobicContact CD1-CE1 4.09Å; Y217-F222 HydrophobicContact CD1-CG 4.19Å; Y217-F222 HydrophobicContact CD1-CZ 4.38Å; Y217-F222 HydrophobicContact CD2-CD1 4.38Å; Y217-F222 AromaticContact CD2-CE1 3.8Å; Y217-F222 HydrophobicContact CD2-CE1 3.8Å; Y217-F222 HydrophobicContact CD2-CZ 4.19Å; Y217-F222 AromaticContact CG-CD1 3.64Å; Y217-F222 HydrophobicContact CG-CD1 3.64Å; Y217-F222 AromaticContact CG-CE1 3.52Å; Y217-F222 HydrophobicContact CG-CE1 3.52Å; Y217-F222 HydrophobicContact CG-CG 4.3Å; Y217-F222 HydrophobicContact CG-CZ 4.11Å; Y217-F383 VanDerWaalsContact CE1-O 3.23Å; Y217-F383 WeakPolarHBondContact CE1-O 3.48Å; Y217-G384 VanDerWaalsContact OH-C 3.26Å; Y217-G384 PolarHBondContact OH-O 3.04Å; Y217-M385 WeakPolarHBondContact OH-CA 3.4Å; Y217-M385 WeakPolarHBondContact OH-CB 3.37Å; Y217-M385 PolarHBondContact OH-N 3.38Å | ||
| 218 | E | 93.3 | Very high | 97.9 | Very high | 182 Ų | 182 | 31.4 Ų | 31.4 | 85% | 0.85 | 17% | 0.165 | S | C | * | . | trans | -106.1 | -9.2 | 179.4 | -61.3 | -173.5 | 169.4 | 0 | 0 | 113.3 | K220 | E218-K220 PolarHBondContact O-N 3.12Š| ||
| 219 | D | 97.2 | Very high | 97.9 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | trans | -61.2 | 120.3 | 178 | -170.7 | -28.4 | 0 | 0 | 0 | 110 | L221 F222 I223 | D219-L221 PolarHBondContact O-N 3.07Å; D219-L221 WeakPolarHBondContact OD1-CB 3.46Å; D219-L221 PolarHBondContact OD1-N 2.96Å; D219-F222 HydrophobicContact CB-CB 4.03Å; D219-F222 WeakPolarHBondContact O-CB 3.05Å; D219-F222 PolarHBondContact O-N 3.08Å; D219-F222 VanDerWaalsContact O-N 3.1Å; D219-I223 PolarHBondContact O-N 3.48Å; D219-I223 VanDerWaalsContact O-N 3.15Å | ||
| 220 | K | 97.6 | Very high | 97.9 | Very high | 171 Ų | 171 | 31.4 Ų | 31.4 | 74% | 0.743 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -58 | -36.8 | 179.1 | -66.4 | -177.9 | 179.9 | 178.8 | 0 | 111.8 | E218 I223 E224 | E218-K220 PolarHBondContact O-N 3.12Å; K220-I223 WeakPolarHBondContact O-CB 3.26Å; K220-I223 PolarHBondContact O-N 3.13Å; K220-E224 WeakPolarHBondContact O-CG 3.39Å; K220-E224 PolarHBondContact O-N 2.84Å; K220-E224 VanDerWaalsContact O-N 3.12Å |
| 221 | L | 98.1 | Very high | 98 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -72.7 | -31.9 | 178.9 | -65.3 | 177.3 | 0 | 0 | 0 | 112 | D219 I223 E224 L225 F334 F338 F383 | D219-L221 PolarHBondContact O-N 3.07Å; D219-L221 WeakPolarHBondContact OD1-CB 3.46Å; D219-L221 PolarHBondContact OD1-N 2.96Å; L221-I223 VanDerWaalsContact C-N 3.29Å; L221-I223 PolarHBondContact O-N 3.41Å; L221-E224 PolarHBondContact O-N 2.89Å; L221-L225 PolarHBondContact O-N 2.87Å; L221-F334 WeakPolarHBondContact O-CZ 3.45Å; L221-F338 HydrophobicContact CD1-CB 4.24Å; L221-F338 HydrophobicContact CD2-CB 4.13Å; L221-F338 HydrophobicContact CD2-CD1 3.65Å; L221-F338 HydrophobicContact CD2-CE1 4.14Å; L221-F338 HydrophobicContact CD2-CG 3.86Å; L221-F383 HydrophobicContact CB-CE1 3.57Å; L221-F383 HydrophobicContact CB-CZ 3.6Å |
| 222 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -36.6 | 171 | 179.9 | -104.7 | 0 | 0 | 0 | 111.7 | A212 Y217 D219 L225 L226 L380 F383 M385 | A212-F222 HydrophobicContact CB-CD1 4.03Å; A212-F222 HydrophobicContact CB-CE1 4.06Å; Y217-F222 AromaticContact CD1-CD1 3.99Å; Y217-F222 HydrophobicContact CD1-CD1 3.99Å; Y217-F222 HydrophobicContact CD1-CE1 4.09Å; Y217-F222 HydrophobicContact CD1-CG 4.19Å; Y217-F222 HydrophobicContact CD1-CZ 4.38Å; Y217-F222 HydrophobicContact CD2-CD1 4.38Å; Y217-F222 AromaticContact CD2-CE1 3.8Å; Y217-F222 HydrophobicContact CD2-CE1 3.8Å; Y217-F222 HydrophobicContact CD2-CZ 4.19Å; Y217-F222 AromaticContact CG-CD1 3.64Å; Y217-F222 HydrophobicContact CG-CD1 3.64Å; Y217-F222 AromaticContact CG-CE1 3.52Å; Y217-F222 HydrophobicContact CG-CE1 3.52Å; Y217-F222 HydrophobicContact CG-CG 4.3Å; Y217-F222 HydrophobicContact CG-CZ 4.11Å; D219-F222 HydrophobicContact CB-CB 4.03Å; D219-F222 WeakPolarHBondContact O-CB 3.05Å; D219-F222 PolarHBondContact O-N 3.08Å; D219-F222 VanDerWaalsContact O-N 3.1Å; F222-L225 HydrophobicContact CD2-CD2 4.32Å; F222-L225 WeakPolarHBondContact O-CB 3.33Å; F222-L225 PolarHBondContact O-N 3.14Å; F222-L226 HydrophobicContact CE1-CD2 4.42Å; F222-L226 WeakPolarHBondContact O-CB 3.15Å; F222-L226 PolarHBondContact O-N 2.79Å; F222-L380 HydrophobicContact CE2-CD2 4.45Å; F222-F383 HydrophobicContact CB-CB 4.07Å; F222-F383 HydrophobicContact CB-CD1 3.87Å; F222-F383 HydrophobicContact CB-CD2 4.45Å; F222-F383 HydrophobicContact CB-CE1 4.47Å; F222-F383 HydrophobicContact CB-CG 3.87Å; F222-F383 HydrophobicContact CD2-CB 3.41Å; F222-F383 VanDerWaalsContact CD2-CB 3.41Å; F222-F383 HydrophobicContact CD2-CD2 4.06Å; F222-F383 AromaticContact CD2-CG 3.8Å; F222-F383 HydrophobicContact CD2-CG 3.8Å; F222-F383 HydrophobicContact CE2-CB 4.22Å; F222-F383 HydrophobicContact CG-CB 4.09Å; F222-F383 HydrophobicContact CG-CG 4.31Å; F222-M385 HydrophobicContact CE2-CE 3.79Å; F222-M385 HydrophobicContact CZ-CE 3.49Å; F222-M385 VanDerWaalsContact CZ-CE 3.49Å |
| 223 | I | 98.6 | Very high | 98 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 14% | 0.138 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.7 | -62.4 | 167.8 | 0 | 0 | 0 | 110.6 | A209 A212 D219 K220 L221 L225 L226 R227 | A209-I223 HydrophobicContact CB-CG2 3.77Å; A212-I223 HydrophobicContact CB-CG1 3.69Å; D219-I223 PolarHBondContact O-N 3.48Å; D219-I223 VanDerWaalsContact O-N 3.15Å; K220-I223 WeakPolarHBondContact O-CB 3.26Å; K220-I223 PolarHBondContact O-N 3.13Å; L221-I223 VanDerWaalsContact C-N 3.29Å; L221-I223 PolarHBondContact O-N 3.41Å; I223-L225 PolarHBondContact O-N 3.42Å; I223-L226 PolarHBondContact O-N 3.36Å; I223-R227 WeakPolarHBondContact O-CG 3.46Å; I223-R227 PolarHBondContact O-N 3.44Å |
| 224 | E | 98.7 | Very high | 98 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 175 | -59.6 | -57 | 152.5 | 0 | 0 | 111.8 | S82 N83 E84 K220 L221 L226 R227 L228 F334 | S82-E224 WeakPolarHBondContact CB-OE1 3.44Å; N83-E224 HydrophobicContact CB-CG 4.04Å; N83-E224 WeakPolarHBondContact CB-OE2 3.49Å; N83-E224 PolarHBondContact N-OE1 2.88Å; N83-E224 PolarHBondContact N-OE2 3.32Å; E84-E224 HydrophobicContact CG-CB 4.25Å; E84-E224 PolarHBondContact N-OE2 3.45Å; K220-E224 WeakPolarHBondContact O-CG 3.39Å; K220-E224 PolarHBondContact O-N 2.84Å; K220-E224 VanDerWaalsContact O-N 3.12Å; L221-E224 PolarHBondContact O-N 2.89Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.01Å; E224-R227 PolarHBondContact O-N 3.17Å; E224-R227 IonicContact OE1-CZ 3.36Å; E224-R227 IonicContact OE1-NH1 3.96Å; E224-R227 PolarHBondContact OE1-NH1 3.2Å; E224-R227 IonicContact OE2-NH1 2.59Å; E224-R227 PolarHBondContact OE2-NH1 2.75Å; E224-R227 VanDerWaalsContact OE2-NH1 3.08Å; E224-L228 PolarHBondContact O-N 3.37Å; E224-L228 VanDerWaalsContact O-N 3.1Å; E224-F334 HydrophobicContact CB-CE2 3.75Å; E224-F334 HydrophobicContact CB-CZ 4.15Å |
| 225 | L | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.3 | 174.2 | 63.1 | 0 | 0 | 0 | 111.2 | L221 F222 I223 R227 L228 Y229 F334 L379 L380 F383 | L221-L225 PolarHBondContact O-N 2.87Å; F222-L225 HydrophobicContact CD2-CD2 4.32Å; F222-L225 WeakPolarHBondContact O-CB 3.33Å; F222-L225 PolarHBondContact O-N 3.14Å; I223-L225 PolarHBondContact O-N 3.42Å; L225-R227 VanDerWaalsContact C-N 3.35Å; L225-R227 PolarHBondContact O-N 3.38Å; L225-L228 PolarHBondContact O-N 3.4Å; L225-Y229 VanDerWaalsContact O-CB 3.28Å; L225-Y229 WeakPolarHBondContact O-CB 3.47Å; L225-Y229 PolarHBondContact O-N 2.92Å; L225-F334 HydrophobicContact CB-CE1 3.97Å; L225-F334 HydrophobicContact CB-CE2 4.36Å; L225-F334 HydrophobicContact CB-CZ 3.73Å; L225-F334 HydrophobicContact CD1-CD1 4.3Å; L225-F334 HydrophobicContact CD1-CE1 4.23Å; L225-L379 HydrophobicContact CD1-CB 3.85Å; L225-L379 HydrophobicContact CD1-CD1 3.68Å; L225-L379 HydrophobicContact CD1-CG 4.4Å; L225-L379 HydrophobicContact CD2-CB 3.77Å; L225-L379 HydrophobicContact CG-CB 4.49Å; L225-L380 HydrophobicContact CD2-CD2 4.18Å; L225-F383 HydrophobicContact CB-CE2 4.26Å; L225-F383 HydrophobicContact CD2-CD2 3.54Å; L225-F383 HydrophobicContact CD2-CE2 3.85Å |
| 226 | L | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.8 | -37.3 | -178.1 | -168.3 | 59 | 0 | 0 | 0 | 111.5 | A208 F211 A212 F222 I223 E224 Y229 L230 L394 | A208-L226 HydrophobicContact CB-CG 4.36Å; F211-L226 HydrophobicContact CB-CD2 4.1Å; F211-L226 HydrophobicContact CD1-CD1 4.28Å; F211-L226 HydrophobicContact CD1-CD2 3.76Å; F211-L226 HydrophobicContact CD1-CG 4.36Å; F211-L226 HydrophobicContact CE1-CD1 4.45Å; F211-L226 HydrophobicContact CG-CD2 4.17Å; A212-L226 HydrophobicContact CB-CD2 3.94Å; F222-L226 HydrophobicContact CE1-CD2 4.42Å; F222-L226 WeakPolarHBondContact O-CB 3.15Å; F222-L226 PolarHBondContact O-N 2.79Å; I223-L226 PolarHBondContact O-N 3.36Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.01Å; L226-Y229 PolarHBondContact O-N 2.9Å; L226-L230 HydrophobicContact CD1-CD1 4.43Å; L226-L230 HydrophobicContact CD1-CG 4.29Å; L226-L230 HydrophobicContact CG-CD1 4.06Å; L226-L230 HydrophobicContact CG-CG 4.38Å; L226-L230 WeakPolarHBondContact O-CB 3.36Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.02Å; L226-L394 HydrophobicContact CD1-CD2 4.5Å |
| 227 | R | 98.8 | Very high | 98.2 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.4 | -51.2 | 171.3 | -73.8 | -177.8 | -168.5 | 128.4 | -6.6 | 111.5 | E84 D206 A208 I223 E224 L225 L230 I231 | E84-R227 HydrophobicContact CB-CB 4.07Å; E84-R227 WeakPolarHBondContact O-CD 2.9Å; D206-R227 IonicContact OD1-CZ 2.74Å; D206-R227 IonicContact OD1-NE 2.74Å; D206-R227 PolarHBondContact OD1-NE 3.14Å; D206-R227 IonicContact OD1-NH2 3.71Å; D206-R227 IonicContact OD2-CZ 3.19Å; D206-R227 IonicContact OD2-NE 3.89Å; D206-R227 PolarHBondContact OD2-NE 3.38Å; D206-R227 IonicContact OD2-NH2 3.54Å; D206-R227 PolarHBondContact OD2-NH2 3.37Å; A208-R227 HydrophobicContact CB-CB 4.36Å; A208-R227 HydrophobicContact CB-CG 3.47Å; A208-R227 VanDerWaalsContact CB-CG 3.47Å; I223-R227 WeakPolarHBondContact O-CG 3.46Å; I223-R227 PolarHBondContact O-N 3.44Å; E224-R227 PolarHBondContact O-N 3.17Å; E224-R227 IonicContact OE1-CZ 3.36Å; E224-R227 IonicContact OE1-NH1 3.96Å; E224-R227 PolarHBondContact OE1-NH1 3.2Å; E224-R227 IonicContact OE2-NH1 2.59Å; E224-R227 PolarHBondContact OE2-NH1 2.75Å; E224-R227 VanDerWaalsContact OE2-NH1 3.08Å; L225-R227 VanDerWaalsContact C-N 3.35Å; L225-R227 PolarHBondContact O-N 3.38Å; R227-L230 PolarHBondContact O-N 2.8Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.34Å |
| 228 | L | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 177.3 | 178.5 | 63.1 | 0 | 0 | 0 | 111.5 | L74 E84 E224 L225 L230 I231 I232 C330 F334 | L74-L228 HydrophobicContact CD1-CD1 3.82Å; L74-L228 HydrophobicContact CD2-CD1 3.95Å; E84-L228 HydrophobicContact CB-CB 4.48Å; E84-L228 HydrophobicContact CG-CB 4.19Å; E224-L228 PolarHBondContact O-N 3.37Å; E224-L228 VanDerWaalsContact O-N 3.1Å; L225-L228 PolarHBondContact O-N 3.4Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 3.2Å; L228-I231 PolarHBondContact O-N 3.44Å; L228-I231 VanDerWaalsContact O-N 3.14Å; L228-I232 HydrophobicContact CD1-CG2 3.76Å; L228-I232 HydrophobicContact CG-CD1 4.4Å; L228-I232 HydrophobicContact CG-CG2 4.43Å; L228-I232 WeakPolarHBondContact O-CG1 3.11Å; L228-I232 WeakPolarHBondContact O-CG2 3.12Å; L228-I232 PolarHBondContact O-N 3.38Å; L228-C330 HydrophobicContact CD1-CB 4.32Å; L228-F334 HydrophobicContact CD2-CB 3.78Å; L228-F334 HydrophobicContact CD2-CD2 4Å; L228-F334 HydrophobicContact CD2-CG 4.09Å |
| 229 | Y | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.9 | -48.2 | -179.7 | -179 | -82.3 | 0 | 0 | 0 | 111.5 | L225 L226 I231 I232 H233 L394 F395 | L225-Y229 VanDerWaalsContact O-CB 3.28Å; L225-Y229 WeakPolarHBondContact O-CB 3.47Å; L225-Y229 PolarHBondContact O-N 2.92Å; L226-Y229 PolarHBondContact O-N 2.9Å; Y229-I231 VanDerWaalsContact C-N 3.27Å; Y229-I231 PolarHBondContact O-N 2.89Å; Y229-I232 PolarHBondContact O-N 3.14Å; Y229-H233 AromaticContact CD2-CE1 3.56Å; Y229-H233 AromaticContact CD2-ND1 3.73Å; Y229-H233 AromaticContact CE2-CE1 3.43Å; Y229-H233 VanDerWaalsContact CE2-CE1 3.43Å; Y229-H233 WeakPolarHBondContact CE2-CE1 3.41Å; Y229-H233 AromaticContact CE2-ND1 3.74Å; Y229-H233 AromaticContact CE2-NE2 3.91Å; Y229-H233 AromaticContact CG-ND1 3.93Å; Y229-H233 AromaticContact CZ-CE1 3.99Å; Y229-H233 AromaticContact CZ-ND1 3.93Å; Y229-H233 PolarHBondContact O-N 3.49Å; Y229-H233 PolarHBondContact O-ND1 3.49Å; Y229-L394 HydrophobicContact CE1-CB 3.67Å; Y229-F395 WeakPolarHBondContact OH-CA 3.49Å; Y229-F395 PolarHBondContact OH-N 2.99Å |
| 230 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.7 | -29.6 | -179.1 | -70.3 | 171.7 | 0 | 0 | 0 | 112.5 | A87 W207 A208 L226 R227 L228 C234 V397 S398 | A87-L230 HydrophobicContact CB-CB 3.98Å; A87-L230 HydrophobicContact CB-CD1 4.48Å; W207-L230 HydrophobicContact CE3-CD1 3.85Å; W207-L230 HydrophobicContact CZ3-CD1 3.84Å; W207-L230 HydrophobicContact CZ3-CD2 4.01Å; W207-L230 HydrophobicContact CZ3-CG 4.36Å; A208-L230 HydrophobicContact CB-CD1 3.78Å; L226-L230 HydrophobicContact CD1-CD1 4.43Å; L226-L230 HydrophobicContact CD1-CG 4.29Å; L226-L230 HydrophobicContact CG-CD1 4.06Å; L226-L230 HydrophobicContact CG-CG 4.38Å; L226-L230 WeakPolarHBondContact O-CB 3.36Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.02Å; R227-L230 PolarHBondContact O-N 2.8Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 3.2Å; L230-C234 WeakPolarHBondContact O-CB 3.36Å; L230-V397 HydrophobicContact CD2-CB 4.43Å; L230-V397 HydrophobicContact CD2-CG1 3.86Å; L230-S398 PolarHBondContact O-OG 3.27Å |
| 231 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -75.2 | -49.7 | 175.2 | -70.3 | 175.4 | 0 | 0 | 0 | 111.3 | L74 L77 P85 A87 I90 R227 L228 Y229 H233 C234 | L74-I231 HydrophobicContact CD2-CD1 4.39Å; L74-I231 HydrophobicContact CD2-CG2 4.1Å; L77-I231 HydrophobicContact CD1-CD1 4.23Å; P85-I231 HydrophobicContact CB-CD1 4.2Å; P85-I231 HydrophobicContact CG-CD1 3.69Å; P85-I231 WeakPolarHBondContact O-CD1 3.28Å; A87-I231 HydrophobicContact CB-CG1 4.44Å; I90-I231 HydrophobicContact CB-CG1 4.2Å; I90-I231 HydrophobicContact CB-CG2 4.34Å; I90-I231 HydrophobicContact CG1-CG2 4.34Å; I90-I231 HydrophobicContact CG2-CB 4.38Å; I90-I231 HydrophobicContact CG2-CG1 3.75Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.34Å; L228-I231 PolarHBondContact O-N 3.44Å; L228-I231 VanDerWaalsContact O-N 3.14Å; Y229-I231 VanDerWaalsContact C-N 3.27Å; Y229-I231 PolarHBondContact O-N 2.89Å; I231-H233 VanDerWaalsContact C-N 3.33Å; I231-H233 PolarHBondContact O-N 3.48Å; I231-C234 VanDerWaalsContact O-CB 3.28Å; I231-C234 WeakPolarHBondContact O-CB 3.43Å; I231-C234 PolarHBondContact O-N 2.89Å; I231-C234 PolarHBondContact O-SG 3.08Å |
| 232 | I | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -78.8 | -17.2 | -167.7 | 69.4 | -179.9 | 0 | 0 | 0 | 113.8 | I70 L228 Y229 R327 Q331 V372 | I70-I232 HydrophobicContact CG2-CG2 4.28Å; L228-I232 HydrophobicContact CD1-CG2 3.76Å; L228-I232 HydrophobicContact CG-CD1 4.4Å; L228-I232 HydrophobicContact CG-CG2 4.43Å; L228-I232 WeakPolarHBondContact O-CG1 3.11Å; L228-I232 WeakPolarHBondContact O-CG2 3.12Å; L228-I232 PolarHBondContact O-N 3.38Å; Y229-I232 PolarHBondContact O-N 3.14Å; I232-R327 HydrophobicContact CB-CB 4.43Å; I232-R327 HydrophobicContact CB-CG 4.15Å; I232-R327 HydrophobicContact CD1-CB 4.4Å; I232-R327 WeakPolarHBondContact O-CD 3.4Å; I232-Q331 HydrophobicContact CD1-CG 3.63Å; I232-V372 HydrophobicContact CD1-CG2 4.09Å; I232-V372 HydrophobicContact CG1-CG2 4.46Å |
| 233 | H | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.3 | 174.6 | -63.7 | 84.9 | 0 | 0 | 0 | 113.1 | Y229 I231 D235 V372 F395 S398 R399 | Y229-H233 AromaticContact CD2-CE1 3.56Å; Y229-H233 AromaticContact CD2-ND1 3.73Å; Y229-H233 AromaticContact CE2-CE1 3.43Å; Y229-H233 VanDerWaalsContact CE2-CE1 3.43Å; Y229-H233 WeakPolarHBondContact CE2-CE1 3.41Å; Y229-H233 AromaticContact CE2-ND1 3.74Å; Y229-H233 AromaticContact CE2-NE2 3.91Å; Y229-H233 AromaticContact CG-ND1 3.93Å; Y229-H233 AromaticContact CZ-CE1 3.99Å; Y229-H233 AromaticContact CZ-ND1 3.93Å; Y229-H233 PolarHBondContact O-N 3.49Å; Y229-H233 PolarHBondContact O-ND1 3.49Å; I231-H233 VanDerWaalsContact C-N 3.33Å; I231-H233 PolarHBondContact O-N 3.48Å; H233-D235 VanDerWaalsContact C-N 3.29Å; H233-D235 PolarHBondContact O-N 2.67Å; H233-V372 VanDerWaalsContact CE1-CG2 3.45Å; H233-V372 WeakPolarHBondContact CE1-CG2 3.37Å; H233-V372 WeakPolarHBondContact NE2-CG2 3.31Å; H233-F395 HydrophobicContact CB-CD2 3.85Å; H233-F395 HydrophobicContact CB-CE2 3.92Å; H233-S398 WeakPolarHBondContact CA-OG 3.43Å; H233-S398 VanDerWaalsContact CB-OG 3.24Å; H233-S398 WeakPolarHBondContact CB-OG 3.37Å; H233-S398 PolarHBondContact O-OG 3.14Å; H233-R399 PolarHBondContact O-NE 3.39Å |
| 234 | C | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -62.7 | -33.5 | -165.7 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | L94 L230 I231 S398 R399 L401 G402 | L94-C234 HydrophobicContact CD1-CB 4.46Å; L230-C234 WeakPolarHBondContact O-CB 3.36Å; I231-C234 VanDerWaalsContact O-CB 3.28Å; I231-C234 WeakPolarHBondContact O-CB 3.43Å; I231-C234 PolarHBondContact O-N 2.89Å; I231-C234 PolarHBondContact O-SG 3.08Å; C234-S398 WeakPolarHBondContact CA-O 3.39Å; C234-S398 WeakPolarHBondContact CA-OG 3.23Å; C234-S398 PolarHBondContact N-OG 3.31Å; C234-R399 WeakPolarHBondContact O-CA 3.4Å; C234-L401 HydrophobicContact CB-CB 4.02Å; C234-L401 HydrophobicContact CB-CD1 4.12Å; C234-G402 VanDerWaalsContact O-CA 3.25Å; C234-G402 WeakPolarHBondContact O-CA 3.48Å; C234-G402 PolarHBondContact O-N 3.43Å |
| 235 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -157.4 | 154.1 | -179 | -157.3 | 23.9 | 0 | 0 | 0 | 111 | W52 T54 S55 F65 H233 | W52-D235 WeakPolarHBondContact CZ2-OD1 3.43Å; W52-D235 PolarHBondContact NE1-OD1 2.61Å; W52-D235 VanDerWaalsContact NE1-OD1 3.17Å; W52-D235 PolarHBondContact NE1-OD2 3Å; T54-D235 WeakPolarHBondContact CB-OD2 3.5Å; T54-D235 PolarHBondContact OG1-OD2 3.18Å; S55-D235 VanDerWaalsContact CB-OD2 3.27Å; S55-D235 WeakPolarHBondContact CB-OD2 3.44Å; S55-D235 PolarHBondContact N-OD2 3.2Å; S55-D235 PolarHBondContact OG-OD2 3.5Å; F65-D235 HydrophobicContact CD1-CB 4.44Å; F65-D235 HydrophobicContact CE1-CB 4.15Å; F65-D235 WeakPolarHBondContact CE1-O 3.34Å; H233-D235 VanDerWaalsContact C-N 3.29Å; H233-D235 PolarHBondContact O-N 2.67Å | ||
| 236 | H | 98.2 | Very high | 98.6 | Very high | 35 Ų | 35 | 17.7 Ų | 17.7 | 16% | 0.162 | 11% | 0.106 | C | C | . | . | trans | -160.6 | 71.3 | 172.3 | -166.9 | -62.7 | 0 | 0 | 0 | 110.6 | I63 N240 R327 | I63-H236 HydrophobicContact CD1-CB 4.47Å; H236-N240 PolarHBondContact O-ND2 3.12Å; H236-R327 PolarHBondContact CD2-NH1 3.48Å | ||
| 237 | E | 98.3 | Very high | 98.6 | Very high | 57 Ų | 57 | 18.4 Ų | 18.4 | 27% | 0.266 | 11% | 0.109 | S | C | . | . | trans | 57.1 | 179.3 | -172.7 | -50.8 | -173.4 | 120.2 | 0 | 0 | 113.2 | S55 L56 L57 I63 N240 A243 | S55-E237 PolarHBondContact OG-N 3.46Å; L56-E237 WeakPolarHBondContact CD1-OE1 3.27Å; L57-E237 HydrophobicContact CB-CG 4.27Å; L57-E237 PolarHBondContact N-OE1 3.49Å; I63-E237 HydrophobicContact CD1-CG 4Å; E237-N240 PolarHBondContact O-ND2 3.3Å; E237-A243 WeakPolarHBondContact O-CB 3.38Å | ||
| 238 | G | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -94.2 | -10.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | H244 | G238-H244 WeakPolarHBondContact O-CA 3.49Å; G238-H244 VanDerWaalsContact O-CB 3.32Å; G238-H244 WeakPolarHBondContact O-CB 3.16Å; G238-H244 PolarHBondContact O-N 3.28Å; G238-H244 VanDerWaalsContact O-N 3.15Å |
| 239 | G | 97.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 22.6 Ų | 22.6 | 59% | 0.588 | 13% | 0.134 | S | C | * | . | trans | -80.3 | -14.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 240 | N | 97.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 16% | 0.16 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -71.7 | 148.3 | 174.6 | 69.9 | 79.3 | 0 | 0 | 0 | 110.6 | H236 E237 S242 A243 H244 H272 R399 | H236-N240 PolarHBondContact O-ND2 3.12Å; E237-N240 PolarHBondContact O-ND2 3.3Å; N240-S242 VanDerWaalsContact C-N 3.29Å; N240-S242 PolarHBondContact O-N 2.79Å; N240-S242 VanDerWaalsContact O-N 3.15Å; N240-S242 PolarHBondContact OD1-N 2.8Å; N240-S242 PolarHBondContact OD1-OG 3.2Å; N240-A243 WeakPolarHBondContact ND2-CB 3.1Å; N240-A243 PolarHBondContact O-N 2.93Å; N240-A243 WeakPolarHBondContact OD1-CB 3.49Å; N240-A243 PolarHBondContact OD1-N 3.18Å; N240-H244 PolarHBondContact O-N 2.96Å; N240-H272 PolarHBondContact OD1-NE2 3.38Å; N240-R399 PolarHBondContact OD1-NH1 2.68Å |
| 241 | V | 98.4 | Very high | 98.6 | Very high | 77 Ų | 77 | 22.6 Ų | 22.6 | 47% | 0.467 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -54 | -43 | -170.1 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | T245 | V241-T245 WeakPolarHBondContact O-CB 3.48Å; V241-T245 PolarHBondContact O-N 2.91Å; V241-T245 PolarHBondContact O-OG1 3.27Å |
| 242 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | -179.9 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | N240 C246 S263 H272 R399 | N240-S242 VanDerWaalsContact C-N 3.29Å; N240-S242 PolarHBondContact O-N 2.79Å; N240-S242 VanDerWaalsContact O-N 3.15Å; N240-S242 PolarHBondContact OD1-N 2.8Å; N240-S242 PolarHBondContact OD1-OG 3.2Å; S242-C246 PolarHBondContact O-N 3.44Å; S242-C246 VanDerWaalsContact O-N 3.11Å; S242-S263 VanDerWaalsContact C-OG 3.25Å; S242-S263 WeakPolarHBondContact O-CB 3.4Å; S242-S263 PolarHBondContact O-OG 2.95Å; S242-H272 WeakPolarHBondContact CB-NE2 3.48Å; S242-H272 PolarHBondContact N-CD2 3.14Å; S242-H272 PolarHBondContact N-NE2 3.05Å; S242-H272 PolarHBondContact OG-NE2 3.1Å; S242-R399 PolarHBondContact OG-NH1 3.34Å |
| 243 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.2 | -46 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | W52 E237 N240 T245 C246 H247 V403 | W52-A243 HydrophobicContact CH2-CB 3.69Å; W52-A243 HydrophobicContact CZ2-CB 3.98Å; W52-A243 HydrophobicContact CZ3-CB 4.04Å; E237-A243 WeakPolarHBondContact O-CB 3.38Å; N240-A243 WeakPolarHBondContact ND2-CB 3.1Å; N240-A243 PolarHBondContact O-N 2.93Å; N240-A243 WeakPolarHBondContact OD1-CB 3.49Å; N240-A243 PolarHBondContact OD1-N 3.18Å; A243-T245 PolarHBondContact O-N 2.98Å; A243-C246 WeakPolarHBondContact O-CB 3.37Å; A243-C246 PolarHBondContact O-N 3.43Å; A243-H247 PolarHBondContact O-N 3.23Å; A243-V403 HydrophobicContact CB-CG1 4Å |
| 244 | H | 98.9 | Very high | 98.6 | Very high | 43 Ų | 43 | 29.7 Ų | 29.7 | 20% | 0.199 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.8 | -167.3 | -172.4 | 0 | 0 | 0 | 111.6 | G238 N240 C246 H247 L248 E418 | G238-H244 WeakPolarHBondContact O-CA 3.49Å; G238-H244 VanDerWaalsContact O-CB 3.32Å; G238-H244 WeakPolarHBondContact O-CB 3.16Å; G238-H244 PolarHBondContact O-N 3.28Å; G238-H244 VanDerWaalsContact O-N 3.15Å; N240-H244 PolarHBondContact O-N 2.96Å; H244-C246 VanDerWaalsContact C-N 3.32Å; H244-C246 PolarHBondContact O-N 2.89Å; H244-H247 WeakPolarHBondContact O-CB 3.45Å; H244-H247 PolarHBondContact O-N 3.47Å; H244-H247 VanDerWaalsContact O-N 3.15Å; H244-L248 VanDerWaalsContact O-CB 3.31Å; H244-L248 WeakPolarHBondContact O-CB 3.5Å; H244-L248 PolarHBondContact O-N 3.33Å; H244-E418 IonicContact CD2-OE1 3.18Å; H244-E418 IonicContact CD2-OE2 3.21Å; H244-E418 IonicContact CE1-OE1 2.77Å; H244-E418 VanDerWaalsContact NE2-CD 3.34Å; H244-E418 IonicContact NE2-OE1 3.23Å; H244-E418 PolarHBondContact NE2-OE1 3.5Å; H244-E418 IonicContact NE2-OE2 3.45Å; H244-E418 PolarHBondContact NE2-OE2 3.31Å |
| 245 | T | 98.9 | Very high | 98.6 | Very high | 36 Ų | 36 | 30 Ų | 30 | 22% | 0.221 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | V241 A243 H247 L248 V249 A262 | V241-T245 WeakPolarHBondContact O-CB 3.48Å; V241-T245 PolarHBondContact O-N 2.91Å; V241-T245 PolarHBondContact O-OG1 3.27Å; A243-T245 PolarHBondContact O-N 2.98Å; T245-H247 VanDerWaalsContact C-N 3.34Å; T245-H247 PolarHBondContact O-N 3.15Å; T245-L248 PolarHBondContact O-N 2.97Å; T245-V249 HydrophobicContact CG2-CG2 4.35Å; T245-V249 WeakPolarHBondContact O-CB 3.37Å; T245-V249 WeakPolarHBondContact O-CG2 3.43Å; T245-V249 PolarHBondContact O-N 3.45Å; T245-A262 HydrophobicContact CG2-CB 3.79Å; T245-A262 WeakPolarHBondContact CG2-O 3.22Å |
| 246 | C | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 175 | -164.6 | 0 | 0 | 0 | 0 | 111.1 | S242 A243 H244 G250 V403 M404 | S242-C246 PolarHBondContact O-N 3.44Å; S242-C246 VanDerWaalsContact O-N 3.11Å; A243-C246 WeakPolarHBondContact O-CB 3.37Å; A243-C246 PolarHBondContact O-N 3.43Å; H244-C246 VanDerWaalsContact C-N 3.32Å; H244-C246 PolarHBondContact O-N 2.89Å; C246-G250 PolarHBondContact O-N 3.13Å; C246-V403 HydrophobicContact CB-CB 4.11Å; C246-V403 HydrophobicContact CB-CG1 4.47Å; C246-V403 HydrophobicContact CB-CG2 4.49Å; C246-M404 VanDerWaalsContact SG-CE 3.55Å |
| 247 | H | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 28.3 Ų | 28.3 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 177.2 | -173.7 | 80.2 | 0 | 0 | 0 | 112.4 | W52 A243 H244 T245 G250 S251 E418 | W52-H247 HydrophobicContact CZ3-CB 4.18Å; A243-H247 PolarHBondContact O-N 3.23Å; H244-H247 WeakPolarHBondContact O-CB 3.45Å; H244-H247 PolarHBondContact O-N 3.47Å; H244-H247 VanDerWaalsContact O-N 3.15Å; T245-H247 VanDerWaalsContact C-N 3.34Å; T245-H247 PolarHBondContact O-N 3.15Å; H247-G250 CarbonylContact O-C 3.59Å; H247-G250 PolarHBondContact O-N 2.74Å; H247-S251 WeakPolarHBondContact O-CB 3.44Å; H247-S251 PolarHBondContact O-N 3.38Å; H247-E418 IonicContact CD2-OE2 3.78Å; H247-E418 PolarHBondContact CD2-OE2 3.1Å; H247-E418 VanDerWaalsContact CD2-OE2 3.31Å; H247-E418 IonicContact NE2-OE2 2.87Å |
| 248 | L | 98.9 | Very high | 98.7 | Very high | 72 Ų | 72 | 28.8 Ų | 28.8 | 38% | 0.377 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.9 | -53.4 | -177.5 | 174.2 | 60.2 | 0 | 0 | 0 | 111 | H244 T245 G250 S251 E418 | H244-L248 VanDerWaalsContact O-CB 3.31Å; H244-L248 WeakPolarHBondContact O-CB 3.5Å; H244-L248 PolarHBondContact O-N 3.33Å; T245-L248 PolarHBondContact O-N 2.97Å; L248-G250 VanDerWaalsContact C-N 3.34Å; L248-G250 PolarHBondContact O-N 2.77Å; L248-S251 WeakPolarHBondContact O-CB 3.16Å; L248-S251 PolarHBondContact O-N 3.31Å; L248-S251 VanDerWaalsContact O-N 3.12Å; L248-S251 PolarHBondContact O-OG 3.22Å; L248-E418 HydrophobicContact CD1-CB 3.89Å; L248-E418 HydrophobicContact CD1-CG 4.17Å |
| 249 | V | 98.9 | Very high | 98.7 | Very high | 40 Ų | 40 | 28.8 Ų | 28.8 | 24% | 0.242 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.9 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | T245 S251 A252 A259 A262 | T245-V249 HydrophobicContact CG2-CG2 4.35Å; T245-V249 WeakPolarHBondContact O-CB 3.37Å; T245-V249 WeakPolarHBondContact O-CG2 3.43Å; T245-V249 PolarHBondContact O-N 3.45Å; V249-S251 VanDerWaalsContact C-N 3.26Å; V249-S251 PolarHBondContact O-N 3.37Å; V249-A252 PolarHBondContact O-N 3.22Å; V249-A259 HydrophobicContact CB-CB 4.39Å; V249-A259 HydrophobicContact CG1-CB 4.17Å; V249-A262 HydrophobicContact CB-CB 4.45Å; V249-A262 HydrophobicContact CG2-CB 3.77Å |
| 250 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -32.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C246 H247 L248 A252 L253 R411 | C246-G250 PolarHBondContact O-N 3.13Å; H247-G250 CarbonylContact O-C 3.59Å; H247-G250 PolarHBondContact O-N 2.74Å; L248-G250 VanDerWaalsContact C-N 3.34Å; L248-G250 PolarHBondContact O-N 2.77Å; G250-A252 PolarHBondContact O-N 3.45Å; G250-L253 WeakPolarHBondContact O-CA 3.26Å; G250-L253 PolarHBondContact O-N 2.89Å; G250-R411 VanDerWaalsContact O-CZ 3.27Å; G250-R411 PolarHBondContact O-NH1 2.97Å; G250-R411 PolarHBondContact O-NH2 3.32Å |
| 251 | S | 98.8 | Very high | 98.9 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -23.8 | -179.9 | 82.3 | 0 | 0 | 0 | 0 | 112.9 | H247 L248 V249 L253 L417 E418 | H247-S251 WeakPolarHBondContact O-CB 3.44Å; H247-S251 PolarHBondContact O-N 3.38Å; L248-S251 WeakPolarHBondContact O-CB 3.16Å; L248-S251 PolarHBondContact O-N 3.31Å; L248-S251 VanDerWaalsContact O-N 3.12Å; L248-S251 PolarHBondContact O-OG 3.22Å; V249-S251 VanDerWaalsContact C-N 3.26Å; V249-S251 PolarHBondContact O-N 3.37Å; S251-L253 PolarHBondContact O-N 2.85Å; S251-L417 WeakPolarHBondContact O-CA 3.22Å; S251-E418 PolarHBondContact OG-N 2.93Å |
| 252 | A | 98.8 | Very high | 98.9 | Very high | 61 Ų | 61 | 22.9 Ų | 22.9 | 50% | 0.504 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 8.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V249 G250 S254 L417 | V249-A252 PolarHBondContact O-N 3.22Å; G250-A252 PolarHBondContact O-N 3.45Å; A252-S254 VanDerWaalsContact C-N 3.25Å; A252-S254 PolarHBondContact O-N 3.17Å; A252-L417 HydrophobicContact CB-CD1 4Å |
| 253 | L | 98.7 | Very high | 98.9 | Very high | 52 Ų | 52 | 22.9 Ų | 22.9 | 27% | 0.272 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 29.3 | -175.3 | -51.6 | 178.7 | 0 | 0 | 0 | 113.4 | F152 Y156 Y165 G250 S251 | F152-L253 HydrophobicContact CE1-CB 4.32Å; F152-L253 WeakPolarHBondContact CE1-O 3.34Å; F152-L253 HydrophobicContact CZ-CB 4.35Å; F152-L253 HydrophobicContact CZ-CD2 4.49Å; Y156-L253 HydrophobicContact CD2-CD1 4.46Å; Y156-L253 HydrophobicContact CE2-CD1 3.58Å; Y165-L253 HydrophobicContact CD2-CD2 4.15Å; Y165-L253 HydrophobicContact CE2-CD1 3.83Å; Y165-L253 HydrophobicContact CE2-CD2 4.17Å; G250-L253 WeakPolarHBondContact O-CA 3.26Å; G250-L253 PolarHBondContact O-N 2.89Å; S251-L253 PolarHBondContact O-N 2.85Å |
| 254 | S | 98.9 | Very high | 98.9 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 27% | 0.266 | 14% | 0.139 | S | C | . | . | trans | -66.6 | 146.6 | 160.3 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | A252 | A252-S254 VanDerWaalsContact C-N 3.25Å; A252-S254 PolarHBondContact O-N 3.17Å | ||
| 255 | D | 98.9 | Very high | 98.9 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | trans | -67 | 163.5 | 178.5 | 68.5 | 78 | 0 | 0 | 0 | 112.6 | S147 S150 F152 Y257 L258 A259 | S147-D255 PolarHBondContact OG-OD2 3.25Å; S150-D255 WeakPolarHBondContact OG-CB 3.42Å; F152-D255 HydrophobicContact CD1-CB 4.24Å; D255-Y257 VanDerWaalsContact C-N 3.26Å; D255-Y257 PolarHBondContact O-N 3.4Å; D255-Y257 WeakPolarHBondContact OD1-CA 3.19Å; D255-Y257 WeakPolarHBondContact OD1-CB 3.35Å; D255-Y257 WeakPolarHBondContact OD1-CD2 3.45Å; D255-Y257 PolarHBondContact OD1-N 3.49Å; D255-L258 PolarHBondContact O-N 2.95Å; D255-L258 PolarHBondContact OD1-N 3.25Å; D255-L258 VanDerWaalsContact OD1-N 3.11Å; D255-L258 VanDerWaalsContact OD2-CD1 3.31Å; D255-L258 WeakPolarHBondContact OD2-CD1 3.26Å; D255-L258 WeakPolarHBondContact OD2-CG 3.4Å; D255-A259 WeakPolarHBondContact O-CB 3.49Å; D255-A259 PolarHBondContact O-N 3.23Å | ||
| 256 | P | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.1 | -32.4 | -179.2 | -32.3 | 41.4 | 0 | 0 | 0 | 115.5 | V169 D172 L176 F260 M404 L407 | V169-P256 HydrophobicContact CB-CG 4.38Å; V169-P256 HydrophobicContact CG1-CG 3.97Å; V169-P256 HydrophobicContact CG2-CG 4.36Å; D172-P256 HydrophobicContact CB-CB 4.11Å; D172-P256 HydrophobicContact CB-CG 3.61Å; L176-P256 HydrophobicContact CD2-CB 4.49Å; P256-F260 WeakPolarHBondContact O-CB 3.39Å; P256-F260 PolarHBondContact O-N 3.34Å; P256-M404 HydrophobicContact CB-SD 3.8Å; P256-L407 HydrophobicContact CB-CD2 4Å; P256-L407 HydrophobicContact CG-CD2 3.94Å |
| 257 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.6 | -48.6 | 179.6 | -56.8 | -89.3 | 0 | 0 | 0 | 110.4 | I143 L146 D172 N175 L176 D255 F260 S261 | I143-Y257 VanDerWaalsContact CG2-O 3.31Å; I143-Y257 WeakPolarHBondContact CG2-O 3.37Å; L146-Y257 HydrophobicContact CB-CD1 3.42Å; L146-Y257 VanDerWaalsContact CB-CD1 3.42Å; L146-Y257 HydrophobicContact CB-CE1 3.72Å; L146-Y257 HydrophobicContact CB-CG 4.26Å; L146-Y257 HydrophobicContact CD1-CD1 4.47Å; L146-Y257 HydrophobicContact CD1-CE1 4.5Å; D172-Y257 HydrophobicContact CB-CE2 3.95Å; N175-Y257 WeakPolarHBondContact CB-OH 3.43Å; L176-Y257 HydrophobicContact CB-CD1 4.16Å; L176-Y257 HydrophobicContact CB-CE1 3.89Å; L176-Y257 HydrophobicContact CD1-CD1 3.77Å; L176-Y257 HydrophobicContact CD1-CE1 4.09Å; L176-Y257 HydrophobicContact CG-CD1 4.39Å; D255-Y257 VanDerWaalsContact C-N 3.26Å; D255-Y257 PolarHBondContact O-N 3.4Å; D255-Y257 WeakPolarHBondContact OD1-CA 3.19Å; D255-Y257 WeakPolarHBondContact OD1-CB 3.35Å; D255-Y257 WeakPolarHBondContact OD1-CD2 3.45Å; D255-Y257 PolarHBondContact OD1-N 3.49Å; Y257-F260 PolarHBondContact O-N 2.97Å; Y257-S261 WeakPolarHBondContact O-CB 3.13Å; Y257-S261 PolarHBondContact O-N 3.26Å |
| 258 | L | 98.9 | Very high | 98.8 | Very high | 68 Ų | 68 | 23.3 Ų | 23.3 | 36% | 0.356 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 177.6 | -64.3 | -178.4 | 0 | 0 | 0 | 112.1 | D255 F260 S261 A262 | D255-L258 PolarHBondContact O-N 2.95Å; D255-L258 PolarHBondContact OD1-N 3.25Å; D255-L258 VanDerWaalsContact OD1-N 3.11Å; D255-L258 VanDerWaalsContact OD2-CD1 3.31Å; D255-L258 WeakPolarHBondContact OD2-CD1 3.26Å; D255-L258 WeakPolarHBondContact OD2-CG 3.4Å; L258-F260 VanDerWaalsContact C-N 3.31Å; L258-F260 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-N 3.21Å; L258-A262 PolarHBondContact O-N 2.83Å |
| 259 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V249 D255 S263 L407 | V249-A259 HydrophobicContact CB-CB 4.39Å; V249-A259 HydrophobicContact CG1-CB 4.17Å; D255-A259 WeakPolarHBondContact O-CB 3.49Å; D255-A259 PolarHBondContact O-N 3.23Å; A259-S263 WeakPolarHBondContact O-CB 3.38Å; A259-S263 PolarHBondContact O-N 3.01Å; A259-L407 HydrophobicContact CB-CD2 4.24Å |
| 260 | F | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.3 | -35.7 | 177.7 | -168.4 | -112.3 | 0 | 0 | 0 | 112.9 | F139 I143 L176 L180 P256 Y257 L258 A262 S263 M264 G396 A400 V403 M404 | F139-F260 HydrophobicContact CE1-CE1 4.35Å; F139-F260 HydrophobicContact CZ-CE1 4.48Å; I143-F260 HydrophobicContact CD1-CD1 3.75Å; I143-F260 HydrophobicContact CD1-CE1 3.72Å; I143-F260 HydrophobicContact CG1-CD1 4.45Å; I143-F260 HydrophobicContact CG2-CB 4.42Å; I143-F260 HydrophobicContact CG2-CD1 3.99Å; L176-F260 HydrophobicContact CD1-CD1 4.26Å; L176-F260 HydrophobicContact CD2-CB 3.6Å; L176-F260 HydrophobicContact CD2-CD1 3.88Å; L176-F260 HydrophobicContact CD2-CG 3.84Å; L176-F260 HydrophobicContact CG-CD1 4.4Å; L180-F260 HydrophobicContact CD1-CD1 4.4Å; L180-F260 HydrophobicContact CD1-CE1 3.59Å; L180-F260 HydrophobicContact CD1-CZ 3.91Å; L180-F260 HydrophobicContact CD2-CD1 4.25Å; L180-F260 HydrophobicContact CD2-CE1 3.79Å; L180-F260 HydrophobicContact CG-CE1 4.35Å; P256-F260 WeakPolarHBondContact O-CB 3.39Å; P256-F260 PolarHBondContact O-N 3.34Å; Y257-F260 PolarHBondContact O-N 2.97Å; L258-F260 VanDerWaalsContact C-N 3.31Å; L258-F260 PolarHBondContact O-N 3.16Å; F260-A262 VanDerWaalsContact C-N 3.34Å; F260-A262 PolarHBondContact O-N 3.45Å; F260-S263 WeakPolarHBondContact O-CA 2.89Å; F260-S263 WeakPolarHBondContact O-CB 3.14Å; F260-S263 PolarHBondContact O-N 3.27Å; F260-M264 HydrophobicContact CD1-CG 4.23Å; F260-M264 HydrophobicContact CD2-CE 4.18Å; F260-M264 HydrophobicContact CE1-CE 4.32Å; F260-M264 HydrophobicContact CE1-CG 3.85Å; F260-M264 HydrophobicContact CE1-SD 4.05Å; F260-M264 HydrophobicContact CE2-CE 3.46Å; F260-M264 VanDerWaalsContact CE2-CE 3.46Å; F260-M264 HydrophobicContact CE2-SD 4.23Å; F260-M264 HydrophobicContact CZ-CE 3.54Å; F260-M264 HydrophobicContact CZ-CG 4.02Å; F260-M264 HydrophobicContact CZ-SD 3.66Å; F260-M264 WeakPolarHBondContact O-CG 3.48Å; F260-M264 PolarHBondContact O-N 3.37Å; F260-G396 WeakPolarHBondContact CZ-O 3.39Å; F260-A400 HydrophobicContact CE1-CB 4.28Å; F260-A400 HydrophobicContact CE2-CB 3.7Å; F260-A400 HydrophobicContact CZ-CB 3.56Å; F260-V403 HydrophobicContact CD2-CG2 3.67Å; F260-V403 HydrophobicContact CE2-CG2 3.77Å; F260-M404 HydrophobicContact CB-CE 3.94Å; F260-M404 HydrophobicContact CD2-CE 4.03Å; F260-M404 HydrophobicContact CG-CE 4.32Å |
| 261 | S | 98.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 172.7 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | I140 Y257 L258 S263 M264 A265 | I140-S261 WeakPolarHBondContact CG2-OG 3.32Å; I140-S261 PolarHBondContact O-OG 3.21Å; Y257-S261 WeakPolarHBondContact O-CB 3.13Å; Y257-S261 PolarHBondContact O-N 3.26Å; L258-S261 PolarHBondContact O-N 3.21Å; S261-S263 VanDerWaalsContact C-N 3.35Å; S261-S263 PolarHBondContact O-N 3.38Å; S261-M264 PolarHBondContact O-N 3.49Å; S261-A265 PolarHBondContact O-N 3.06Å |
| 262 | A | 98.9 | Very high | 98.2 | Very high | 28 Ų | 28 | 33.7 Ų | 33.7 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T245 V249 L258 F260 M264 A265 G266 | T245-A262 HydrophobicContact CG2-CB 3.79Å; T245-A262 WeakPolarHBondContact CG2-O 3.22Å; V249-A262 HydrophobicContact CB-CB 4.45Å; V249-A262 HydrophobicContact CG2-CB 3.77Å; L258-A262 PolarHBondContact O-N 2.83Å; F260-A262 VanDerWaalsContact C-N 3.34Å; F260-A262 PolarHBondContact O-N 3.45Å; A262-M264 VanDerWaalsContact C-N 3.28Å; A262-M264 PolarHBondContact O-N 3.15Å; A262-A265 WeakPolarHBondContact O-CB 3.28Å; A262-A265 PolarHBondContact O-N 3.12Å; A262-A265 VanDerWaalsContact O-N 3.13Å; A262-G266 PolarHBondContact O-N 3.05Å; A262-G266 VanDerWaalsContact O-N 3.08Å |
| 263 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.2 | -44.2 | 172.9 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | S242 A259 F260 S261 G266 L267 | S242-S263 VanDerWaalsContact C-OG 3.25Å; S242-S263 WeakPolarHBondContact O-CB 3.4Å; S242-S263 PolarHBondContact O-OG 2.95Å; A259-S263 WeakPolarHBondContact O-CB 3.38Å; A259-S263 PolarHBondContact O-N 3.01Å; F260-S263 WeakPolarHBondContact O-CA 2.89Å; F260-S263 WeakPolarHBondContact O-CB 3.14Å; F260-S263 PolarHBondContact O-N 3.27Å; S261-S263 VanDerWaalsContact C-N 3.35Å; S261-S263 PolarHBondContact O-N 3.38Å; S263-G266 PolarHBondContact O-N 3.33Å; S263-L267 PolarHBondContact O-N 3.37Å |
| 264 | M | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.7 | -31.3 | 178.6 | -66.8 | -54.4 | 92.1 | 0 | 0 | 112.7 | M136 F139 I140 I143 F260 S261 A262 G266 L267 A268 G396 | M136-M264 HydrophobicContact CE-CB 3.87Å; M136-M264 HydrophobicContact CE-CG 4.49Å; M136-M264 WeakPolarHBondContact CE-O 3.1Å; M136-M264 HydrophobicContact CE-SD 4.18Å; F139-M264 HydrophobicContact CD1-CG 4.03Å; F139-M264 HydrophobicContact CD1-SD 4.23Å; F139-M264 HydrophobicContact CE1-CG 4.02Å; F139-M264 HydrophobicContact CE1-SD 3.88Å; I140-M264 HydrophobicContact CD1-CB 4.43Å; I140-M264 HydrophobicContact CG1-CB 3.57Å; I143-M264 HydrophobicContact CD1-CG 3.99Å; F260-M264 HydrophobicContact CD1-CG 4.23Å; F260-M264 HydrophobicContact CD2-CE 4.18Å; F260-M264 HydrophobicContact CE1-CE 4.32Å; F260-M264 HydrophobicContact CE1-CG 3.85Å; F260-M264 HydrophobicContact CE1-SD 4.05Å; F260-M264 HydrophobicContact CE2-CE 3.46Å; F260-M264 VanDerWaalsContact CE2-CE 3.46Å; F260-M264 HydrophobicContact CE2-SD 4.23Å; F260-M264 HydrophobicContact CZ-CE 3.54Å; F260-M264 HydrophobicContact CZ-CG 4.02Å; F260-M264 HydrophobicContact CZ-SD 3.66Å; F260-M264 WeakPolarHBondContact O-CG 3.48Å; F260-M264 PolarHBondContact O-N 3.37Å; S261-M264 PolarHBondContact O-N 3.49Å; A262-M264 VanDerWaalsContact C-N 3.28Å; A262-M264 PolarHBondContact O-N 3.15Å; M264-G266 VanDerWaalsContact C-N 3.34Å; M264-L267 HydrophobicContact CE-CB 4.24Å; M264-L267 HydrophobicContact CE-CD2 3.81Å; M264-L267 PolarHBondContact O-N 3.26Å; M264-L267 HydrophobicContact SD-CD2 3.87Å; M264-A268 WeakPolarHBondContact O-CB 3.46Å; M264-A268 PolarHBondContact O-N 3.47Å; M264-G396 WeakPolarHBondContact SD-CA 3.19Å |
| 265 | A | 98.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 30.2 Ų | 30.2 | 44% | 0.438 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I140 S261 A262 A268 | I140-A265 HydrophobicContact CD1-CB 4.08Å; S261-A265 PolarHBondContact O-N 3.06Å; A262-A265 WeakPolarHBondContact O-CB 3.28Å; A262-A265 PolarHBondContact O-N 3.12Å; A262-A265 VanDerWaalsContact O-N 3.13Å; A265-A268 PolarHBondContact O-N 3.13Å |
| 266 | G | 98.5 | Very high | 97.3 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A262 S263 M264 A268 G269 | A262-G266 PolarHBondContact O-N 3.05Å; A262-G266 VanDerWaalsContact O-N 3.08Å; S263-G266 PolarHBondContact O-N 3.33Å; M264-G266 VanDerWaalsContact C-N 3.34Å; G266-A268 VanDerWaalsContact C-N 3.33Å; G266-A268 PolarHBondContact O-N 2.87Å; G266-G269 PolarHBondContact O-N 3.33Å |
| 267 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -32.1 | 177.1 | -167.7 | 62.9 | 0 | 0 | 0 | 112.7 | M136 S263 M264 G269 G273 T392 F395 | M136-L267 HydrophobicContact CE-CB 4.21Å; M136-L267 HydrophobicContact CE-CD2 4.46Å; S263-L267 PolarHBondContact O-N 3.37Å; M264-L267 HydrophobicContact CE-CB 4.24Å; M264-L267 HydrophobicContact CE-CD2 3.81Å; M264-L267 PolarHBondContact O-N 3.26Å; M264-L267 HydrophobicContact SD-CD2 3.87Å; L267-G269 PolarHBondContact O-N 2.89Å; L267-G273 WeakPolarHBondContact O-CA 3.33Å; L267-G273 PolarHBondContact O-N 2.66Å; L267-T392 HydrophobicContact CD2-CG2 4.21Å; L267-T392 HydrophobicContact CG-CG2 3.85Å; L267-F395 HydrophobicContact CD1-CD1 3.84Å; L267-F395 HydrophobicContact CD1-CE1 3.81Å; L267-F395 HydrophobicContact CD1-CG 4.47Å; L267-F395 HydrophobicContact CD1-CZ 4.41Å; L267-F395 HydrophobicContact CD2-CB 4.42Å; L267-F395 HydrophobicContact CD2-CD1 4.39Å; L267-F395 HydrophobicContact CD2-CG 4.31Å; L267-F395 HydrophobicContact CG-CD1 4.49Å |
| 268 | A | 98.4 | Very high | 97.1 | Very high | 38 Ų | 38 | 35.5 Ų | 35.5 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M136 I140 M264 A265 G266 | M136-A268 HydrophobicContact CB-CB 3.96Å; M136-A268 HydrophobicContact CE-CB 4.06Å; M136-A268 HydrophobicContact CG-CB 4.27Å; I140-A268 HydrophobicContact CD1-CB 4.37Å; M264-A268 WeakPolarHBondContact O-CB 3.46Å; M264-A268 PolarHBondContact O-N 3.47Å; A265-A268 PolarHBondContact O-N 3.13Å; G266-A268 VanDerWaalsContact C-N 3.33Å; G266-A268 PolarHBondContact O-N 2.87Å |
| 269 | G | 97.8 | Very high | 97 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -63.8 | 136.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G266 L267 L271 H272 G273 | G266-G269 PolarHBondContact O-N 3.33Å; L267-G269 PolarHBondContact O-N 2.89Å; G269-L271 VanDerWaalsContact C-N 3.26Å; G269-L271 PolarHBondContact O-N 2.99Å; G269-H272 PolarHBondContact O-N 3.02Å; G269-G273 PolarHBondContact O-N 3.36Å |
| 270 | P | 95.2 | Very high | 97 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -55.1 | -37.6 | -179.2 | -30.2 | 36.8 | 0 | 0 | 0 | 114.7 | H272 L274 | P270-H272 PolarHBondContact O-N 2.69Å; P270-H272 VanDerWaalsContact O-N 3.13Å; P270-L274 HydrophobicContact CB-CD1 3.85Å; P270-L274 HydrophobicContact CG-CD1 4.19Å |
| 271 | L | 93 | Very high | 96.9 | Very high | 186 Ų | 186 | 37.4 Ų | 37.4 | 97% | 0.974 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -74.1 | 3.3 | 179.5 | -62 | 178.9 | 0 | 0 | 0 | 114.3 | G269 | G269-L271 VanDerWaalsContact C-N 3.26Å; G269-L271 PolarHBondContact O-N 2.99Å |
| 272 | H | 95.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -131.9 | -54.9 | -177.7 | -166.5 | 20.4 | 0 | 0 | 0 | 112.7 | N240 S242 G269 P270 | N240-H272 PolarHBondContact OD1-NE2 3.38Å; S242-H272 WeakPolarHBondContact CB-NE2 3.48Å; S242-H272 PolarHBondContact N-CD2 3.14Å; S242-H272 PolarHBondContact N-NE2 3.05Å; S242-H272 PolarHBondContact OG-NE2 3.1Å; G269-H272 PolarHBondContact O-N 3.02Å; P270-H272 PolarHBondContact O-N 2.69Å; P270-H272 VanDerWaalsContact O-N 3.13Å |
| 273 | G | 94.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -99.1 | 4.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | L267 G269 Q277 T392 | L267-G273 WeakPolarHBondContact O-CA 3.33Å; L267-G273 PolarHBondContact O-N 2.66Å; G269-G273 PolarHBondContact O-N 3.36Å; G273-Q277 PolarHBondContact O-OE1 3.2Å; G273-T392 PolarHBondContact O-OG1 3.29Å |
| 274 | L | 94.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | trans | -108.9 | -3.4 | -172.5 | -64 | -172.4 | 0 | 0 | 0 | 115.5 | P270 N276 Q277 E278 | P270-L274 HydrophobicContact CB-CD1 3.85Å; P270-L274 HydrophobicContact CG-CD1 4.19Å; L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.76Å; L274-Q277 VanDerWaalsContact CD2-NE2 3.26Å; L274-Q277 PolarHBondContact O-N 3.35Å; L274-Q277 PolarHBondContact O-OE1 2.91Å; L274-E278 WeakPolarHBondContact O-CG 3.39Å; L274-E278 PolarHBondContact O-N 3.35Å | ||
| 275 | A | 94.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 44 Ų | 44 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.5 | -40.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E278 V279 D373 | A275-E278 PolarHBondContact O-N 3.3Å; A275-V279 VanDerWaalsContact O-CG2 3.32Å; A275-V279 WeakPolarHBondContact O-CG2 3.46Å; A275-V279 PolarHBondContact O-N 3.12Å; A275-D373 HydrophobicContact CB-CB 3.79Å |
| 276 | N | 93.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 175.5 | 178.8 | -18.5 | 0 | 0 | 0 | 111.7 | L274 V279 L280 D373 S376 G377 Y391 | L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.76Å; N276-V279 PolarHBondContact O-N 3.48Å; N276-L280 PolarHBondContact O-N 3.46Å; N276-L280 VanDerWaalsContact O-N 3.12Å; N276-D373 HydrophobicContact CB-CB 4.46Å; N276-S376 VanDerWaalsContact CG-OG 3.28Å; N276-S376 PolarHBondContact ND2-OG 2.96Å; N276-G377 WeakPolarHBondContact OD1-CA 3.12Å; N276-G377 PolarHBondContact OD1-N 3.03Å; N276-Y391 WeakPolarHBondContact OD1-CD2 3.36Å |
| 277 | Q | 96.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 177.2 | -63.1 | 98.5 | -56.7 | 0 | 0 | 112.1 | G273 L274 V279 L280 L281 M388 T392 | G273-Q277 PolarHBondContact O-OE1 3.2Å; L274-Q277 VanDerWaalsContact CD2-NE2 3.26Å; L274-Q277 PolarHBondContact O-N 3.35Å; L274-Q277 PolarHBondContact O-OE1 2.91Å; Q277-V279 PolarHBondContact O-N 3.2Å; Q277-L280 PolarHBondContact O-N 2.89Å; Q277-L281 WeakPolarHBondContact O-CG 3.49Å; Q277-L281 PolarHBondContact O-N 3.05Å; Q277-M388 HydrophobicContact CG-CB 3.92Å; Q277-M388 VanDerWaalsContact CG-O 3.32Å; Q277-M388 WeakPolarHBondContact CG-O 3.2Å; Q277-M388 PolarHBondContact NE2-O 2.91Å; Q277-T392 PolarHBondContact NE2-OG1 3.01Å |
| 278 | E | 96.8 | Very high | 96.2 | Very high | 96 Ų | 96 | 50.4 Ų | 50.4 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 178.1 | -71.1 | 179 | 166.8 | 0 | 0 | 112.2 | L274 A275 L281 F282 P314 | L274-E278 WeakPolarHBondContact O-CG 3.39Å; L274-E278 PolarHBondContact O-N 3.35Å; A275-E278 PolarHBondContact O-N 3.3Å; E278-L281 PolarHBondContact O-N 3.07Å; E278-F282 WeakPolarHBondContact O-CB 3.27Å; E278-F282 PolarHBondContact O-N 3.41Å; E278-P314 HydrophobicContact CB-CB 4.4Å |
| 279 | V | 97.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 173.2 | 167.2 | 0 | 0 | 0 | 0 | 110.6 | A275 N276 Q277 L281 F282 L283 P314 | A275-V279 VanDerWaalsContact O-CG2 3.32Å; A275-V279 WeakPolarHBondContact O-CG2 3.46Å; A275-V279 PolarHBondContact O-N 3.12Å; N276-V279 PolarHBondContact O-N 3.48Å; Q277-V279 PolarHBondContact O-N 3.2Å; V279-L281 PolarHBondContact O-N 3.17Å; V279-F282 WeakPolarHBondContact O-CB 3.45Å; V279-F282 PolarHBondContact O-N 3.02Å; V279-L283 HydrophobicContact CG1-CD1 3.83Å; V279-L283 HydrophobicContact CG1-CG 4.25Å; V279-L283 VanDerWaalsContact O-CG 3.27Å; V279-L283 WeakPolarHBondContact O-CG 3.17Å; V279-L283 PolarHBondContact O-N 3.47Å; V279-P314 HydrophobicContact CG2-CB 3.82Å |
| 280 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | -179.4 | -86.5 | 172.1 | 0 | 0 | 0 | 113.6 | N276 Q277 F282 L283 H284 G377 V378 Q381 M388 Y391 | N276-L280 PolarHBondContact O-N 3.46Å; N276-L280 VanDerWaalsContact O-N 3.12Å; Q277-L280 PolarHBondContact O-N 2.89Å; L280-F282 VanDerWaalsContact C-N 3.26Å; L280-F282 PolarHBondContact O-N 2.87Å; L280-L283 HydrophobicContact CD2-CD1 4.37Å; L280-L283 PolarHBondContact O-N 3.27Å; L280-H284 PolarHBondContact O-CD2 3.13Å; L280-H284 PolarHBondContact O-N 2.74Å; L280-G377 VanDerWaalsContact CD1-CA 3.46Å; L280-V378 HydrophobicContact CD2-CG1 3.86Å; L280-Q381 HydrophobicContact CD1-CG 4.32Å; L280-Q381 VanDerWaalsContact CD1-NE2 3.35Å; L280-Q381 HydrophobicContact CD2-CG 4.38Å; L280-M388 HydrophobicContact CB-SD 3.96Å; L280-M388 HydrophobicContact CD1-CG 4.19Å; L280-M388 HydrophobicContact CD1-SD 4.13Å; L280-Y391 HydrophobicContact CD1-CD2 4.25Å; L280-Y391 HydrophobicContact CD1-CE2 3.4Å |
| 281 | L | 97.2 | Very high | 95.9 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.3 | -70.1 | 171.8 | 0 | 0 | 0 | 111 | Q277 E278 V279 R285 M388 | Q277-L281 WeakPolarHBondContact O-CG 3.49Å; Q277-L281 PolarHBondContact O-N 3.05Å; E278-L281 PolarHBondContact O-N 3.07Å; V279-L281 PolarHBondContact O-N 3.17Å; L281-R285 PolarHBondContact O-N 3.17Å; L281-R285 VanDerWaalsContact O-N 3.07Å; L281-M388 HydrophobicContact CD2-CE 3.9Å; L281-M388 HydrophobicContact CD2-SD 4.45Å |
| 282 | F | 97.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 175 | 177.9 | -105.5 | 0 | 0 | 0 | 112.6 | E278 V279 L280 R285 I286 W302 L303 H306 I313 P314 | E278-F282 WeakPolarHBondContact O-CB 3.27Å; E278-F282 PolarHBondContact O-N 3.41Å; V279-F282 WeakPolarHBondContact O-CB 3.45Å; V279-F282 PolarHBondContact O-N 3.02Å; L280-F282 VanDerWaalsContact C-N 3.26Å; L280-F282 PolarHBondContact O-N 2.87Å; F282-R285 PolarHBondContact O-N 3.45Å; F282-I286 HydrophobicContact CD1-CD1 3.92Å; F282-I286 HydrophobicContact CE1-CD1 3.46Å; F282-I286 VanDerWaalsContact CE1-CD1 3.46Å; F282-I286 HydrophobicContact CE2-CD1 4.38Å; F282-I286 HydrophobicContact CZ-CD1 3.74Å; F282-I286 WeakPolarHBondContact O-CG1 3.36Å; F282-I286 PolarHBondContact O-N 3.45Å; F282-I286 VanDerWaalsContact O-N 3.08Å; F282-W302 HydrophobicContact CD2-CH2 4.28Å; F282-W302 AromaticContact CE2-CH2 3.63Å; F282-W302 HydrophobicContact CE2-CH2 3.63Å; F282-W302 AromaticContact CE2-CZ3 3.53Å; F282-W302 HydrophobicContact CE2-CZ3 3.53Å; F282-W302 HydrophobicContact CZ-CH2 4.17Å; F282-W302 AromaticContact CZ-CZ3 3.62Å; F282-W302 HydrophobicContact CZ-CZ3 3.62Å; F282-L303 HydrophobicContact CE1-CD2 4.44Å; F282-L303 HydrophobicContact CZ-CD2 3.9Å; F282-H306 AromaticContact CE2-CD2 3.94Å; F282-H306 AromaticContact CE2-CE1 3.69Å; F282-H306 AromaticContact CE2-NE2 3.61Å; F282-I313 HydrophobicContact CE1-CG2 3.93Å; F282-I313 HydrophobicContact CZ-CG1 4.37Å; F282-I313 HydrophobicContact CZ-CG2 4.13Å; F282-P314 HydrophobicContact CB-CG 3.98Å; F282-P314 HydrophobicContact CD2-CG 4.43Å; F282-P314 HydrophobicContact CG-CG 4.12Å |
| 283 | L | 97.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 177 | -66.9 | 171.2 | 0 | 0 | 0 | 112.6 | V279 L280 I286 T287 L344 L347 V348 L351 V378 | V279-L283 HydrophobicContact CG1-CD1 3.83Å; V279-L283 HydrophobicContact CG1-CG 4.25Å; V279-L283 VanDerWaalsContact O-CG 3.27Å; V279-L283 WeakPolarHBondContact O-CG 3.17Å; V279-L283 PolarHBondContact O-N 3.47Å; L280-L283 HydrophobicContact CD2-CD1 4.37Å; L280-L283 PolarHBondContact O-N 3.27Å; L283-I286 PolarHBondContact O-N 2.87Å; L283-T287 PolarHBondContact O-N 3.18Å; L283-T287 PolarHBondContact O-OG1 2.92Å; L283-L344 HydrophobicContact CB-CD2 4.39Å; L283-L347 HydrophobicContact CB-CD2 4.37Å; L283-L347 HydrophobicContact CD2-CD2 3.85Å; L283-L347 HydrophobicContact CD2-CG 3.95Å; L283-V348 HydrophobicContact CD1-CG2 3.56Å; L283-V348 HydrophobicContact CD2-CG2 3.99Å; L283-V348 HydrophobicContact CG-CG2 4.45Å; L283-L351 HydrophobicContact CD2-CD1 3.36Å; L283-V378 HydrophobicContact CD1-CG1 3.51Å |
| 284 | H | 96.7 | Very high | 95.4 | Very high | 55 Ų | 55 | 58.3 Ų | 58.3 | 26% | 0.255 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.9 | -73.6 | -42.5 | 0 | 0 | 0 | 111.2 | L280 I286 T287 E288 Q381 | L280-H284 PolarHBondContact O-CD2 3.13Å; L280-H284 PolarHBondContact O-N 2.74Å; H284-I286 PolarHBondContact O-N 3.28Å; H284-T287 PolarHBondContact O-N 2.72Å; H284-T287 VanDerWaalsContact O-N 3.12Å; H284-E288 WeakPolarHBondContact O-CB 3.05Å; H284-E288 WeakPolarHBondContact O-CG 3.44Å; H284-E288 PolarHBondContact O-N 3.27Å; H284-Q381 PolarHBondContact CE1-OE1 3.3Å; H284-Q381 VanDerWaalsContact CE1-OE1 3.27Å; H284-Q381 PolarHBondContact NE2-NE2 3.44Å; H284-Q381 PolarHBondContact NE2-OE1 2.94Å |
| 285 | R | 96.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 175.8 | -175.7 | 179.8 | 176.4 | -157.5 | -9.1 | 112.4 | L281 F282 T287 E288 E289 W302 | L281-R285 PolarHBondContact O-N 3.17Å; L281-R285 VanDerWaalsContact O-N 3.07Å; F282-R285 PolarHBondContact O-N 3.45Å; R285-T287 VanDerWaalsContact C-N 3.28Å; R285-T287 PolarHBondContact O-N 2.59Å; R285-E288 PolarHBondContact O-N 2.89Å; R285-E289 HydrophobicContact CG-CG 4.45Å; R285-E289 WeakPolarHBondContact CG-OE1 3.42Å; R285-E289 IonicContact CZ-OE1 2.87Å; R285-E289 IonicContact NE-OE1 2.67Å; R285-E289 PolarHBondContact NE-OE1 3.38Å; R285-E289 IonicContact NH2-OE1 3.08Å; R285-E289 PolarHBondContact NH2-OE1 3.26Å; R285-E289 WeakPolarHBondContact O-CB 3.45Å; R285-E289 WeakPolarHBondContact O-CG 3.45Å; R285-E289 PolarHBondContact O-N 2.85Å; R285-W302 HydrophobicContact CG-CZ2 4.37Å |
| 286 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 175.2 | -69.2 | 168.9 | 0 | 0 | 0 | 110.2 | F282 L283 H284 E288 E289 M290 L299 W302 L347 L351 | F282-I286 HydrophobicContact CD1-CD1 3.92Å; F282-I286 HydrophobicContact CE1-CD1 3.46Å; F282-I286 VanDerWaalsContact CE1-CD1 3.46Å; F282-I286 HydrophobicContact CE2-CD1 4.38Å; F282-I286 HydrophobicContact CZ-CD1 3.74Å; F282-I286 WeakPolarHBondContact O-CG1 3.36Å; F282-I286 PolarHBondContact O-N 3.45Å; F282-I286 VanDerWaalsContact O-N 3.08Å; L283-I286 PolarHBondContact O-N 2.87Å; H284-I286 PolarHBondContact O-N 3.28Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 3.11Å; I286-E289 PolarHBondContact O-N 3.07Å; I286-M290 HydrophobicContact CG2-CG 4.38Å; I286-M290 HydrophobicContact CG2-SD 3.84Å; I286-M290 VanDerWaalsContact O-CB 3.31Å; I286-M290 WeakPolarHBondContact O-CB 3.49Å; I286-M290 PolarHBondContact O-N 3.25Å; I286-L299 HydrophobicContact CD1-CD1 4.45Å; I286-L299 HydrophobicContact CG2-CD1 3.98Å; I286-W302 HydrophobicContact CD1-CE3 4.21Å; I286-W302 HydrophobicContact CD1-CH2 4.3Å; I286-W302 HydrophobicContact CD1-CZ3 3.85Å; I286-W302 HydrophobicContact CG1-CD2 4.21Å; I286-W302 HydrophobicContact CG1-CE3 3.83Å; I286-W302 HydrophobicContact CG1-CH2 3.56Å; I286-W302 HydrophobicContact CG1-CZ2 3.92Å; I286-W302 HydrophobicContact CG1-CZ3 3.51Å; I286-L347 HydrophobicContact CB-CD2 4.11Å; I286-L347 HydrophobicContact CG2-CD1 3.96Å; I286-L347 HydrophobicContact CG2-CD2 3.86Å; I286-L351 HydrophobicContact CD1-CD1 4.38Å; I286-L351 HydrophobicContact CD1-CD2 4.37Å |
| 287 | T | 95.7 | Very high | 95.8 | Very high | 38 Ų | 38 | 68.1 Ų | 68.1 | 23% | 0.233 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.7 | -36.5 | -177.5 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | L283 H284 R285 G291 | L283-T287 PolarHBondContact O-N 3.18Å; L283-T287 PolarHBondContact O-OG1 2.92Å; H284-T287 PolarHBondContact O-N 2.72Å; H284-T287 VanDerWaalsContact O-N 3.12Å; R285-T287 VanDerWaalsContact C-N 3.28Å; R285-T287 PolarHBondContact O-N 2.59Å; T287-G291 WeakPolarHBondContact O-CA 3.44Å; T287-G291 PolarHBondContact O-N 3.31Å |
| 288 | E | 96.8 | Very high | 95.8 | Very high | 165 Ų | 165 | 69.2 Ų | 69.2 | 77% | 0.771 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.9 | -44.3 | 176.1 | -75.4 | 176.7 | 175.3 | 0 | 0 | 112.2 | H284 R285 I286 | H284-E288 WeakPolarHBondContact O-CB 3.05Å; H284-E288 WeakPolarHBondContact O-CG 3.44Å; H284-E288 PolarHBondContact O-N 3.27Å; R285-E288 PolarHBondContact O-N 2.89Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 3.11Å |
| 289 | E | 96.9 | Very high | 95.8 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -78.8 | -38.8 | -176 | -68.7 | -178.9 | -165.6 | 0 | 0 | 112.9 | R285 I286 W302 | R285-E289 HydrophobicContact CG-CG 4.45Å; R285-E289 WeakPolarHBondContact CG-OE1 3.42Å; R285-E289 IonicContact CZ-OE1 2.87Å; R285-E289 IonicContact NE-OE1 2.67Å; R285-E289 PolarHBondContact NE-OE1 3.38Å; R285-E289 IonicContact NH2-OE1 3.08Å; R285-E289 PolarHBondContact NH2-OE1 3.26Å; R285-E289 WeakPolarHBondContact O-CB 3.45Å; R285-E289 WeakPolarHBondContact O-CG 3.45Å; R285-E289 PolarHBondContact O-N 2.85Å; I286-E289 PolarHBondContact O-N 3.07Å; E289-W302 PolarHBondContact OE2-NE1 3.18Å |
| 290 | M | 96 | Very high | 95.8 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -97.6 | -18.4 | -175.6 | -61.4 | -172.5 | 72.4 | 0 | 0 | 114 | I286 Y294 S298 L299 W302 | I286-M290 HydrophobicContact CG2-CG 4.38Å; I286-M290 HydrophobicContact CG2-SD 3.84Å; I286-M290 VanDerWaalsContact O-CB 3.31Å; I286-M290 WeakPolarHBondContact O-CB 3.49Å; I286-M290 PolarHBondContact O-N 3.25Å; M290-Y294 HydrophobicContact CE-CG 4.45Å; M290-S298 VanDerWaalsContact CE-O 3.25Å; M290-S298 WeakPolarHBondContact CE-O 3.47Å; M290-S298 WeakPolarHBondContact CE-OG 3.31Å; M290-L299 HydrophobicContact CE-CB 4.32Å; M290-L299 HydrophobicContact SD-CD1 4.03Å; M290-W302 HydrophobicContact CE-CB 4.26Å; M290-W302 HydrophobicContact CG-CG 4.2Å; M290-W302 HydrophobicContact SD-CB 3.68Å; M290-W302 HydrophobicContact SD-CD2 4.49Å; M290-W302 HydrophobicContact SD-CG 3.75Å |
| 291 | G | 92.2 | Very high | 95.8 | Very high | 31 Ų | 31 | 71.6 Ų | 71.6 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | trans | 68.8 | -175.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T287 | T287-G291 WeakPolarHBondContact O-CA 3.44Å; T287-G291 PolarHBondContact O-N 3.31Å | ||
| 292 | K | 86.7 | Confident | 95.8 | Very high | 163 Ų | 163 | 68 Ų | 68 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -13.3 | -174.7 | -63.9 | -177.5 | -179.8 | -179.8 | 0 | 114.9 | ||
| 293 | N | 89.9 | Confident | 95.8 | Very high | 160 Ų | 160 | 67.2 Ų | 67.2 | 86% | 0.856 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 31.7 | -174.7 | -62.3 | -26.8 | 0 | 0 | 0 | 111.8 | ||
| 294 | Y | 95.6 | Very high | 95.7 | Very high | 42 Ų | 42 | 71.8 Ų | 71.8 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | trans | -68.2 | 158.2 | 176 | 69.5 | -93.7 | 0 | 0 | 0 | 110.8 | M290 L299 L347 D350 | M290-Y294 HydrophobicContact CE-CG 4.45Å; Y294-L299 HydrophobicContact CD2-CB 4.13Å; Y294-L299 HydrophobicContact CE2-CD2 4.08Å; Y294-L347 HydrophobicContact CE1-CD1 3.97Å; Y294-L347 HydrophobicContact CE2-CD1 4.22Å; Y294-L347 VanDerWaalsContact OH-CA 3.23Å; Y294-L347 WeakPolarHBondContact OH-CA 3.28Å; Y294-D350 HydrophobicContact CE2-CB 4.31Å; Y294-D350 VanDerWaalsContact CE2-OD2 3.28Å; Y294-D350 WeakPolarHBondContact CE2-OD2 3.48Å; Y294-D350 PolarHBondContact OH-OD2 3.4Å | ||
| 295 | T | 96.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 74 Ų | 74 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | trans | -106.1 | 159.8 | 167.5 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | E297 S298 L299 | T295-E297 PolarHBondContact O-N 2.68Å; T295-S298 PolarHBondContact N-OG 3.1Å; T295-S298 PolarHBondContact O-N 2.81Å; T295-S298 PolarHBondContact O-OG 3.3Å; T295-S298 PolarHBondContact OG1-N 3.15Å; T295-S298 VanDerWaalsContact OG1-N 3.16Å; T295-S298 PolarHBondContact OG1-OG 2.77Å; T295-L299 PolarHBondContact O-N 2.94Å | ||
| 296 | K | 96.5 | Very high | 95.6 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.6 | -33.4 | 174.1 | -73.1 | -179.7 | 176.5 | 173.1 | 0 | 112.1 | L299 K300 D350 E353 V354 | K296-L299 PolarHBondContact O-N 2.81Å; K296-K300 WeakPolarHBondContact O-CG 3.31Å; K296-K300 PolarHBondContact O-N 3.09Å; K296-D350 WeakPolarHBondContact CE-OD1 3.13Å; K296-D350 HydrophobicContact CG-CB 4.49Å; K296-D350 IonicContact NZ-OD1 2.75Å; K296-E353 IonicContact NZ-OE1 3.79Å; K296-E353 PolarHBondContact NZ-OE1 2.92Å; K296-E353 VanDerWaalsContact NZ-OE1 3.08Å; K296-E353 IonicContact NZ-OE2 3.66Å; K296-E353 PolarHBondContact NZ-OE2 3.13Å; K296-V354 HydrophobicContact CB-CG1 4.31Å; K296-V354 HydrophobicContact CG-CG1 4.48Å |
| 297 | E | 97.1 | Very high | 95.5 | Very high | 127 Ų | 127 | 71 Ų | 71 | 59% | 0.593 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.1 | -43.6 | 176.8 | -63.1 | -49 | 150.5 | 0 | 0 | 113.2 | T295 L299 K300 Q301 | T295-E297 PolarHBondContact O-N 2.68Å; E297-L299 PolarHBondContact O-N 3.3Å; E297-K300 PolarHBondContact O-N 3.31Å; E297-Q301 PolarHBondContact O-N 3.38Å |
| 298 | S | 97 | Very high | 95.4 | Very high | 39 Ų | 39 | 75.7 Ų | 75.7 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -32.8 | 172.9 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | M290 T295 Q301 W302 | M290-S298 VanDerWaalsContact CE-O 3.25Å; M290-S298 WeakPolarHBondContact CE-O 3.47Å; M290-S298 WeakPolarHBondContact CE-OG 3.31Å; T295-S298 PolarHBondContact N-OG 3.1Å; T295-S298 PolarHBondContact O-N 2.81Å; T295-S298 PolarHBondContact O-OG 3.3Å; T295-S298 PolarHBondContact OG1-N 3.15Å; T295-S298 VanDerWaalsContact OG1-N 3.16Å; T295-S298 PolarHBondContact OG1-OG 2.77Å; S298-Q301 PolarHBondContact O-N 3.03Å; S298-W302 PolarHBondContact O-N 2.68Å |
| 299 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 176.3 | -179.2 | 62.5 | 0 | 0 | 0 | 111.2 | I286 M290 Y294 T295 K296 E297 Q301 W302 L303 L347 D350 L351 V354 | I286-L299 HydrophobicContact CD1-CD1 4.45Å; I286-L299 HydrophobicContact CG2-CD1 3.98Å; M290-L299 HydrophobicContact CE-CB 4.32Å; M290-L299 HydrophobicContact SD-CD1 4.03Å; Y294-L299 HydrophobicContact CD2-CB 4.13Å; Y294-L299 HydrophobicContact CE2-CD2 4.08Å; T295-L299 PolarHBondContact O-N 2.94Å; K296-L299 PolarHBondContact O-N 2.81Å; E297-L299 PolarHBondContact O-N 3.3Å; L299-Q301 VanDerWaalsContact C-N 3.3Å; L299-Q301 PolarHBondContact O-N 3.35Å; L299-W302 PolarHBondContact O-N 3.21Å; L299-L303 HydrophobicContact CD1-CD1 4.39Å; L299-L303 HydrophobicContact CD1-CG 4.35Å; L299-L303 HydrophobicContact CG-CD1 4.06Å; L299-L303 HydrophobicContact CG-CG 4.48Å; L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 VanDerWaalsContact O-CG 3.23Å; L299-L303 WeakPolarHBondContact O-CG 3.34Å; L299-L303 PolarHBondContact O-N 3.38Å; L299-L347 HydrophobicContact CD1-CD1 4.12Å; L299-L347 HydrophobicContact CD2-CD1 4.02Å; L299-D350 HydrophobicContact CD2-CB 3.93Å; L299-L351 HydrophobicContact CD1-CD2 4.14Å; L299-L351 HydrophobicContact CD2-CD2 4.07Å; L299-L351 HydrophobicContact CD2-CG 4.36Å; L299-L351 HydrophobicContact CG-CD2 4.34Å; L299-V354 HydrophobicContact CD2-CG2 4.15Å; L299-V354 HydrophobicContact CG-CG2 4.4Å |
| 300 | K | 97.4 | Very high | 95 | Very high | 39 Ų | 39 | 70.7 Ų | 70.7 | 17% | 0.17 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 173.4 | -74.6 | -175.9 | -179.6 | -169.3 | 0 | 111.5 | K296 E297 L303 Q304 V354 E357 I358 | K296-K300 WeakPolarHBondContact O-CG 3.31Å; K296-K300 PolarHBondContact O-N 3.09Å; E297-K300 PolarHBondContact O-N 3.31Å; K300-L303 PolarHBondContact O-N 3.41Å; K300-Q304 VanDerWaalsContact O-CG 3.31Å; K300-Q304 WeakPolarHBondContact O-CG 3.19Å; K300-Q304 PolarHBondContact O-N 3.14Å; K300-V354 HydrophobicContact CD-CB 4.48Å; K300-V354 HydrophobicContact CD-CG1 4.43Å; K300-V354 HydrophobicContact CG-CB 3.86Å; K300-V354 HydrophobicContact CG-CG1 4.03Å; K300-V354 HydrophobicContact CG-CG2 4.38Å; K300-E357 IonicContact NZ-OE2 3.51Å; K300-E357 PolarHBondContact NZ-OE2 2.79Å; K300-I358 HydrophobicContact CB-CD1 4.32Å; K300-I358 HydrophobicContact CG-CD1 4.13Å |
| 301 | Q | 96.8 | Very high | 94.8 | Very high | 113 Ų | 113 | 72.8 Ų | 72.8 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 176.9 | -175.9 | -177.9 | -12.4 | 0 | 0 | 111.6 | E297 S298 L299 L303 Q304 E305 | E297-Q301 PolarHBondContact O-N 3.38Å; S298-Q301 PolarHBondContact O-N 3.03Å; L299-Q301 VanDerWaalsContact C-N 3.3Å; L299-Q301 PolarHBondContact O-N 3.35Å; Q301-L303 VanDerWaalsContact C-N 3.3Å; Q301-L303 PolarHBondContact O-N 3.05Å; Q301-Q304 PolarHBondContact O-N 2.88Å; Q301-Q304 VanDerWaalsContact O-N 3.15Å; Q301-E305 WeakPolarHBondContact CG-OE1 3.37Å; Q301-E305 PolarHBondContact NE2-OE1 3.42Å; Q301-E305 WeakPolarHBondContact O-CG 3.25Å; Q301-E305 PolarHBondContact O-N 3.19Å |
| 302 | W | 97.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 76.6 Ų | 76.6 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.3 | -43.3 | 178.5 | -171.9 | 96.5 | 0 | 0 | 0 | 111.9 | F282 R285 I286 E289 M290 S298 L299 Q304 E305 H306 | F282-W302 HydrophobicContact CD2-CH2 4.28Å; F282-W302 AromaticContact CE2-CH2 3.63Å; F282-W302 HydrophobicContact CE2-CH2 3.63Å; F282-W302 AromaticContact CE2-CZ3 3.53Å; F282-W302 HydrophobicContact CE2-CZ3 3.53Å; F282-W302 HydrophobicContact CZ-CH2 4.17Å; F282-W302 AromaticContact CZ-CZ3 3.62Å; F282-W302 HydrophobicContact CZ-CZ3 3.62Å; R285-W302 HydrophobicContact CG-CZ2 4.37Å; I286-W302 HydrophobicContact CD1-CE3 4.21Å; I286-W302 HydrophobicContact CD1-CH2 4.3Å; I286-W302 HydrophobicContact CD1-CZ3 3.85Å; I286-W302 HydrophobicContact CG1-CD2 4.21Å; I286-W302 HydrophobicContact CG1-CE3 3.83Å; I286-W302 HydrophobicContact CG1-CH2 3.56Å; I286-W302 HydrophobicContact CG1-CZ2 3.92Å; I286-W302 HydrophobicContact CG1-CZ3 3.51Å; E289-W302 PolarHBondContact OE2-NE1 3.18Å; M290-W302 HydrophobicContact CE-CB 4.26Å; M290-W302 HydrophobicContact CG-CG 4.2Å; M290-W302 HydrophobicContact SD-CB 3.68Å; M290-W302 HydrophobicContact SD-CD2 4.49Å; M290-W302 HydrophobicContact SD-CG 3.75Å; S298-W302 PolarHBondContact O-N 2.68Å; L299-W302 PolarHBondContact O-N 3.21Å; W302-Q304 PolarHBondContact O-N 3.18Å; W302-E305 PolarHBondContact O-N 3.17Å; W302-H306 HydrophobicContact CE3-CB 4.18Å; W302-H306 HydrophobicContact CH2-CB 4.2Å; W302-H306 AromaticContact CH2-ND1 3.92Å; W302-H306 HydrophobicContact CZ3-CB 3.81Å; W302-H306 AromaticContact CZ3-CG 3.99Å; W302-H306 WeakPolarHBondContact O-CB 3.47Å; W302-H306 PolarHBondContact O-N 2.9Å |
| 303 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | 178 | -69.7 | 167.6 | 0 | 0 | 0 | 112.5 | F282 L299 K300 Q301 H306 L307 I313 L351 V354 V355 I358 | F282-L303 HydrophobicContact CE1-CD2 4.44Å; F282-L303 HydrophobicContact CZ-CD2 3.9Å; L299-L303 HydrophobicContact CD1-CD1 4.39Å; L299-L303 HydrophobicContact CD1-CG 4.35Å; L299-L303 HydrophobicContact CG-CD1 4.06Å; L299-L303 HydrophobicContact CG-CG 4.48Å; L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 VanDerWaalsContact O-CG 3.23Å; L299-L303 WeakPolarHBondContact O-CG 3.34Å; L299-L303 PolarHBondContact O-N 3.38Å; K300-L303 PolarHBondContact O-N 3.41Å; Q301-L303 VanDerWaalsContact C-N 3.3Å; Q301-L303 PolarHBondContact O-N 3.05Å; L303-H306 PolarHBondContact O-N 3.18Å; L303-L307 WeakPolarHBondContact O-CB 3.32Å; L303-L307 WeakPolarHBondContact O-CD1 3.48Å; L303-L307 VanDerWaalsContact O-CG 3.23Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.49Å; L303-I313 HydrophobicContact CD2-CD1 3.91Å; L303-I313 HydrophobicContact CD2-CG1 4.28Å; L303-L351 HydrophobicContact CD1-CD2 3.83Å; L303-L351 HydrophobicContact CD2-CD2 3.87Å; L303-L351 HydrophobicContact CG-CD2 4.34Å; L303-V354 HydrophobicContact CD1-CG2 3.67Å; L303-V355 HydrophobicContact CD1-CG2 3.87Å; L303-I358 HydrophobicContact CB-CD1 3.87Å; L303-I358 HydrophobicContact CD1-CD1 3.62Å; L303-I358 HydrophobicContact CG-CD1 4.43Å |
| 304 | Q | 95.2 | Very high | 95.5 | Very high | 99 Ų | 99 | 62.8 Ų | 62.8 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.5 | -73.2 | 170.6 | 8.7 | 0 | 0 | 111.3 | K300 Q301 W302 L307 N308 I358 | K300-Q304 VanDerWaalsContact O-CG 3.31Å; K300-Q304 WeakPolarHBondContact O-CG 3.19Å; K300-Q304 PolarHBondContact O-N 3.14Å; Q301-Q304 PolarHBondContact O-N 2.88Å; Q301-Q304 VanDerWaalsContact O-N 3.15Å; W302-Q304 PolarHBondContact O-N 3.18Å; Q304-L307 PolarHBondContact O-N 3.3Å; Q304-N308 WeakPolarHBondContact O-CB 3.14Å; Q304-N308 PolarHBondContact O-N 3.2Å; Q304-N308 PolarHBondContact O-ND2 3.42Å; Q304-I358 HydrophobicContact CG-CG2 4.41Å |
| 305 | E | 95.8 | Very high | 95.4 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.7 | -70.4 | 173.4 | -167.6 | 0 | 0 | 111.1 | Q301 W302 L307 N308 T309 | Q301-E305 WeakPolarHBondContact CG-OE1 3.37Å; Q301-E305 PolarHBondContact NE2-OE1 3.42Å; Q301-E305 WeakPolarHBondContact O-CG 3.25Å; Q301-E305 PolarHBondContact O-N 3.19Å; W302-E305 PolarHBondContact O-N 3.17Å; E305-L307 PolarHBondContact O-N 3.03Å; E305-N308 PolarHBondContact O-N 3.11Å; E305-T309 PolarHBondContact O-N 2.97Å |
| 306 | H | 95.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 175 | 178.7 | 84.3 | 0 | 0 | 0 | 112 | F282 W302 L303 N308 T309 L311 V312 | F282-H306 AromaticContact CE2-CD2 3.94Å; F282-H306 AromaticContact CE2-CE1 3.69Å; F282-H306 AromaticContact CE2-NE2 3.61Å; W302-H306 HydrophobicContact CE3-CB 4.18Å; W302-H306 HydrophobicContact CH2-CB 4.2Å; W302-H306 AromaticContact CH2-ND1 3.92Å; W302-H306 HydrophobicContact CZ3-CB 3.81Å; W302-H306 AromaticContact CZ3-CG 3.99Å; W302-H306 WeakPolarHBondContact O-CB 3.47Å; W302-H306 PolarHBondContact O-N 2.9Å; L303-H306 PolarHBondContact O-N 3.18Å; H306-N308 VanDerWaalsContact C-N 3.32Å; H306-N308 PolarHBondContact O-N 2.92Å; H306-T309 PolarHBondContact O-N 3.21Å; H306-T309 PolarHBondContact O-OG1 3.14Å; H306-L311 WeakPolarHBondContact NE2-CB 3.46Å; H306-V312 PolarHBondContact NE2-O 2.91Å |
| 307 | L | 94.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -34 | 178.1 | -72.3 | 164.9 | 0 | 0 | 0 | 112.8 | L303 Q304 E305 T309 G310 I313 I358 L359 L362 | L303-L307 WeakPolarHBondContact O-CB 3.32Å; L303-L307 WeakPolarHBondContact O-CD1 3.48Å; L303-L307 VanDerWaalsContact O-CG 3.23Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.49Å; Q304-L307 PolarHBondContact O-N 3.3Å; E305-L307 PolarHBondContact O-N 3.03Å; L307-T309 PolarHBondContact O-N 3.03Å; L307-G310 PolarHBondContact O-N 3.45Å; L307-I313 HydrophobicContact CD1-CD1 3.95Å; L307-I313 HydrophobicContact CD2-CD1 4.18Å; L307-I313 HydrophobicContact CD2-CG1 4.06Å; L307-I313 HydrophobicContact CG-CD1 4.21Å; L307-I313 HydrophobicContact CG-CG1 4.37Å; L307-I358 HydrophobicContact CD1-CG2 3.5Å; L307-I358 VanDerWaalsContact CD1-CG2 3.5Å; L307-L359 HydrophobicContact CD1-CD2 4.15Å; L307-L359 HydrophobicContact CD2-CD2 4.14Å; L307-L362 HydrophobicContact CD1-CD1 4.13Å; L307-L362 HydrophobicContact CD2-CD1 4.46Å |
| 308 | N | 93.6 | Very high | 93.6 | Very high | 135 Ų | 135 | 53.5 Ų | 53.5 | 72% | 0.722 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.2 | -19.9 | 177.1 | -74.2 | -24.7 | 0 | 0 | 0 | 113.1 | Q304 E305 H306 G310 | Q304-N308 WeakPolarHBondContact O-CB 3.14Å; Q304-N308 PolarHBondContact O-N 3.2Å; Q304-N308 PolarHBondContact O-ND2 3.42Å; E305-N308 PolarHBondContact O-N 3.11Å; H306-N308 VanDerWaalsContact C-N 3.32Å; H306-N308 PolarHBondContact O-N 2.92Å; N308-G310 PolarHBondContact O-N 3.21Å |
| 309 | T | 94.6 | Very high | 92.4 | Very high | 98 Ų | 98 | 56 Ų | 56 | 60% | 0.601 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -4.5 | 170.9 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | E305 H306 L307 L311 | E305-T309 PolarHBondContact O-N 2.97Å; H306-T309 PolarHBondContact O-N 3.21Å; H306-T309 PolarHBondContact O-OG1 3.14Å; L307-T309 PolarHBondContact O-N 3.03Å; T309-L311 VanDerWaalsContact C-N 3.31Å; T309-L311 WeakPolarHBondContact OG1-CD1 3.31Å; T309-L311 VanDerWaalsContact OG1-CG 3.3Å; T309-L311 WeakPolarHBondContact OG1-CG 3.36Å |
| 310 | G | 91.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 2.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L307 N308 | L307-G310 PolarHBondContact O-N 3.45Å; N308-G310 PolarHBondContact O-N 3.21Å |
| 311 | L | 92.3 | Very high | 90.5 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | trans | -76.2 | 156.9 | 173.1 | -64 | 174.6 | 0 | 0 | 0 | 111.2 | H306 T309 | H306-L311 WeakPolarHBondContact NE2-CB 3.46Å; T309-L311 VanDerWaalsContact C-N 3.31Å; T309-L311 WeakPolarHBondContact OG1-CD1 3.31Å; T309-L311 VanDerWaalsContact OG1-CG 3.3Å; T309-L311 WeakPolarHBondContact OG1-CG 3.36Å | ||
| 312 | V | 92.8 | Very high | 90.1 | Very high | 112 Ų | 112 | 59.3 Ų | 59.3 | 68% | 0.679 | 35% | 0.346 | S | S | * | . | trans | -99.8 | 165.1 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 111 | H306 P314 | H306-V312 PolarHBondContact NE2-O 2.91Å; V312-P314 WeakPolarHBondContact O-CD 3.36Å | ||
| 313 | I | 94.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | trans | -93.9 | 110.5 | 170.5 | -61.7 | 170 | 0 | 0 | 0 | 107.9 | F282 L303 L307 Y316 V355 L359 | F282-I313 HydrophobicContact CE1-CG2 3.93Å; F282-I313 HydrophobicContact CZ-CG1 4.37Å; F282-I313 HydrophobicContact CZ-CG2 4.13Å; L303-I313 HydrophobicContact CD2-CD1 3.91Å; L303-I313 HydrophobicContact CD2-CG1 4.28Å; L307-I313 HydrophobicContact CD1-CD1 3.95Å; L307-I313 HydrophobicContact CD2-CD1 4.18Å; L307-I313 HydrophobicContact CD2-CG1 4.06Å; L307-I313 HydrophobicContact CG-CD1 4.21Å; L307-I313 HydrophobicContact CG-CG1 4.37Å; I313-Y316 HydrophobicContact CG2-CD2 3.67Å; I313-Y316 HydrophobicContact CG2-CE2 4.28Å; I313-Y316 HydrophobicContact CG2-CG 4.27Å; I313-Y316 PolarHBondContact O-N 2.71Å; I313-V355 HydrophobicContact CD1-CG1 3.74Å; I313-V355 HydrophobicContact CD1-CG2 4.11Å; I313-V355 HydrophobicContact CG2-CG1 4.25Å; I313-V355 HydrophobicContact CG2-CG2 4.38Å; I313-L359 HydrophobicContact CD1-CD2 4.24Å | ||
| 314 | P | 94.1 | Very high | 89.7 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 142.2 | -178.7 | -24.2 | 35.5 | 0 | 0 | 0 | 112 | E278 V279 F282 V312 Y316 | E278-P314 HydrophobicContact CB-CB 4.4Å; V279-P314 HydrophobicContact CG2-CB 3.82Å; F282-P314 HydrophobicContact CB-CG 3.98Å; F282-P314 HydrophobicContact CD2-CG 4.43Å; F282-P314 HydrophobicContact CG-CG 4.12Å; V312-P314 WeakPolarHBondContact O-CD 3.36Å; P314-Y316 VanDerWaalsContact C-N 3.29Å; P314-Y316 PolarHBondContact O-N 2.84Å |
| 315 | G | 93.7 | Very high | 89.7 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -5.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P370 N371 | G315-P370 CarbonylContact O-C 3.6Å; G315-P370 WeakPolarHBondContact O-CA 3.35Å; G315-N371 PolarHBondContact O-N 3.35Å; G315-N371 PolarHBondContact O-OD1 3.5Å |
| 316 | Y | 94.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -116.5 | 153.1 | 178 | -70.8 | -102.4 | 0 | 0 | 0 | 112 | I313 P314 L351 Y352 V355 P356 P368 P370 A374 | I313-Y316 HydrophobicContact CG2-CD2 3.67Å; I313-Y316 HydrophobicContact CG2-CE2 4.28Å; I313-Y316 HydrophobicContact CG2-CG 4.27Å; I313-Y316 PolarHBondContact O-N 2.71Å; P314-Y316 VanDerWaalsContact C-N 3.29Å; P314-Y316 PolarHBondContact O-N 2.84Å; Y316-L351 PolarHBondContact OH-O 2.98Å; Y316-Y352 WeakPolarHBondContact OH-CA 3.25Å; Y316-Y352 PolarHBondContact OH-N 3.49Å; Y316-Y352 VanDerWaalsContact OH-N 3.15Å; Y316-V355 HydrophobicContact CD1-CB 3.92Å; Y316-V355 HydrophobicContact CD1-CG1 3.34Å; Y316-V355 HydrophobicContact CD2-CG1 4.1Å; Y316-V355 HydrophobicContact CE1-CB 3.67Å; Y316-V355 HydrophobicContact CE1-CG1 3.66Å; Y316-V355 HydrophobicContact CE1-CG2 4.42Å; Y316-V355 HydrophobicContact CE2-CG1 4.38Å; Y316-V355 HydrophobicContact CE2-CG2 4.46Å; Y316-V355 HydrophobicContact CG-CB 4.44Å; Y316-V355 HydrophobicContact CG-CG1 3.59Å; Y316-P356 HydrophobicContact CE1-CG 4.47Å; Y316-P368 WeakPolarHBondContact CD1-O 3.35Å; Y316-P370 HydrophobicContact CD1-CB 4.02Å; Y316-P370 HydrophobicContact CD1-CG 4.49Å; Y316-P370 HydrophobicContact CD2-CB 4.43Å; Y316-P370 HydrophobicContact CE1-CB 3.67Å; Y316-P370 HydrophobicContact CE1-CG 3.88Å; Y316-P370 HydrophobicContact CE2-CB 4.11Å; Y316-P370 HydrophobicContact CG-CB 4.39Å; Y316-A374 HydrophobicContact CE2-CB 4.49Å |
| 317 | G | 82.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | trans | 94.9 | 56.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N367 Y369 | G317-N367 CarbonylContact C-O 3.46Å; G317-N367 VanDerWaalsContact CA-O 3.25Å; G317-N367 WeakPolarHBondContact CA-O 3.18Å; G317-Y369 PolarHBondContact N-O 2.98Å | ||
| 318 | H | 75.3 | Confident | 90 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | trans | -80.2 | 145.5 | -176.9 | -80.7 | 36.9 | 0 | 0 | 0 | 113.7 | V320 L321 N367 N371 | H318-V320 PolarHBondContact O-N 3.44Å; H318-L321 HydrophobicContact CB-CB 4.22Å; H318-N367 PolarHBondContact N-O 2.96Å; H318-N367 WeakPolarHBondContact O-CB 3.37Å; H318-N367 PolarHBondContact O-ND2 3.24Å; H318-N371 WeakPolarHBondContact CE1-CB 3.18Å; H318-N371 VanDerWaalsContact CE1-CG 3.46Å; H318-N371 PolarHBondContact CE1-ND2 3.44Å; H318-N371 VanDerWaalsContact NE2-CB 3.27Å; H318-N371 WeakPolarHBondContact NE2-CB 3.42Å; H318-N371 PolarHBondContact NE2-ND2 2.95Å; H318-N371 VanDerWaalsContact NE2-ND2 3.17Å | ||
| 319 | A | 73 | Confident | 90.2 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 75% | 0.752 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -70.8 | -29.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N367 | A319-N367 PolarHBondContact O-ND2 3.41Š|
| 320 | V | 76.8 | Confident | 90.4 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -116.6 | -49.6 | -167.7 | -173.9 | 0 | 0 | 0 | 0 | 113.6 | L57 H318 R322 | L57-V320 HydrophobicContact CD2-CB 4.09Å; L57-V320 HydrophobicContact CD2-CG1 3.69Å; H318-V320 PolarHBondContact O-N 3.44Å; V320-R322 PolarHBondContact O-N 3.27Å |
| 321 | L | 78.8 | Confident | 90.7 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | trans | -64.1 | 119.8 | -178.1 | -95.4 | 146.7 | 0 | 0 | 0 | 110.9 | L57 H318 N367 | L57-L321 HydrophobicContact CD1-CD1 4.3Å; L57-L321 HydrophobicContact CD1-CG 4.22Å; H318-L321 HydrophobicContact CB-CB 4.22Å; L321-N367 WeakPolarHBondContact O-CB 3.43Å; L321-N367 PolarHBondContact O-ND2 2.99Å | ||
| 322 | R | 87.3 | Confident | 91 | Very high | 132 Ų | 132 | 39.8 Ų | 39.8 | 50% | 0.498 | 23% | 0.227 | S | C | . | . | trans | -91 | -7 | -178.5 | -65.7 | 169.3 | -179.9 | -174.6 | 1 | 114 | P59 E60 V320 Y369 | P59-R322 PolarHBondContact O-N 3.21Å; P59-R322 VanDerWaalsContact O-N 3.14Å; E60-R322 WeakPolarHBondContact OE1-CD 3.42Å; E60-R322 IonicContact OE1-CZ 3.96Å; E60-R322 IonicContact OE1-NE 3.31Å; E60-R322 IonicContact OE1-NH1 2.82Å; E60-R322 PolarHBondContact OE1-NH1 2.84Å; V320-R322 PolarHBondContact O-N 3.27Å; R322-Y369 WeakPolarHBondContact O-CD2 3.46Å; R322-Y369 WeakPolarHBondContact O-CE2 3.48Å | ||
| 323 | Q | 90.5 | Very high | 91.2 | Very high | 96 Ų | 96 | 39.8 Ų | 39.8 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -134.4 | 171.3 | 179.5 | -55.5 | -167.8 | 23.7 | 0 | 0 | 109.3 | E60 D325 | E60-Q323 PolarHBondContact OE2-NE2 3.02Å; Q323-D325 PolarHBondContact O-N 3.35Å |
| 324 | T | 95.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | trans | -55.7 | 131.5 | 172.6 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | P326 F328 L329 Y352 P370 | T324-P326 WeakPolarHBondContact O-CD 3.45Å; T324-F328 HydrophobicContact CG2-CB 4.21Å; T324-F328 HydrophobicContact CG2-CD1 3.7Å; T324-F328 HydrophobicContact CG2-CE1 4.48Å; T324-F328 HydrophobicContact CG2-CG 4.25Å; T324-L329 HydrophobicContact CG2-CD1 4.38Å; T324-L329 HydrophobicContact CG2-CD2 3.78Å; T324-L329 HydrophobicContact CG2-CG 3.81Å; T324-Y352 HydrophobicContact CG2-CE2 3.83Å; T324-Y352 WeakPolarHBondContact OG1-CE2 3.35Å; T324-Y352 PolarHBondContact OG1-OH 3.1Å; T324-P370 HydrophobicContact CG2-CG 4Å | ||
| 325 | D | 96.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -56.6 | 124.7 | 177.1 | -175.2 | -13.9 | 0 | 0 | 0 | 110.4 | Q323 R327 F328 L329 P370 N371 V372 | Q323-D325 PolarHBondContact O-N 3.35Å; D325-R327 PolarHBondContact O-N 3.35Å; D325-R327 VanDerWaalsContact OD1-CB 3.25Å; D325-R327 WeakPolarHBondContact OD1-CB 3.28Å; D325-R327 VanDerWaalsContact OD1-CG 3.3Å; D325-R327 WeakPolarHBondContact OD1-CG 3.45Å; D325-R327 PolarHBondContact OD1-N 2.93Å; D325-R327 IonicContact OD1-NE 3.94Å; D325-R327 PolarHBondContact OD1-NE 3.42Å; D325-R327 VanDerWaalsContact OD1-NE 3.13Å; D325-R327 IonicContact OD2-CZ 2.74Å; D325-R327 IonicContact OD2-NE 2.59Å; D325-R327 PolarHBondContact OD2-NE 3.48Å; D325-R327 IonicContact OD2-NH2 3.74Å; D325-R327 PolarHBondContact OD2-NH2 2.98Å; D325-F328 HydrophobicContact CB-CB 4.34Å; D325-F328 WeakPolarHBondContact O-CA 3.34Å; D325-F328 VanDerWaalsContact O-CB 3.3Å; D325-F328 WeakPolarHBondContact O-CB 3.36Å; D325-F328 PolarHBondContact O-N 3.39Å; D325-L329 PolarHBondContact O-N 3.37Å; D325-P370 WeakPolarHBondContact CB-O 3.24Å; D325-P370 PolarHBondContact N-O 3.49Å; D325-N371 HydrophobicContact CB-CB 4.5Å; D325-V372 PolarHBondContact OD2-N 3.32Å; D325-V372 VanDerWaalsContact OD2-N 3.11Å | ||
| 326 | P | 96.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.5 | -25.4 | 176.7 | -21.4 | 28.2 | 0 | 0 | 0 | 113.4 | L61 I70 T324 L329 C330 | L61-P326 WeakPolarHBondContact O-CG 3.4Å; I70-P326 HydrophobicContact CB-CB 4.2Å; I70-P326 HydrophobicContact CD1-CB 4.11Å; T324-P326 WeakPolarHBondContact O-CD 3.45Å; P326-L329 PolarHBondContact O-N 3.11Å; P326-C330 PolarHBondContact O-N 2.92Å; P326-C330 PolarHBondContact O-SG 3.24Å |
| 327 | R | 98.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.8 | -30.4 | 174 | -58.3 | 177.9 | -66.9 | 167.5 | 5.7 | 112.8 | I63 I70 I232 H236 D325 C330 Q331 V372 | I63-R327 HydrophobicContact CG2-CG 4.36Å; I70-R327 HydrophobicContact CD1-CB 4.25Å; I70-R327 HydrophobicContact CD1-CG 3.13Å; I232-R327 HydrophobicContact CB-CB 4.43Å; I232-R327 HydrophobicContact CB-CG 4.15Å; I232-R327 HydrophobicContact CD1-CB 4.4Å; I232-R327 WeakPolarHBondContact O-CD 3.4Å; H236-R327 PolarHBondContact CD2-NH1 3.48Å; D325-R327 PolarHBondContact O-N 3.35Å; D325-R327 VanDerWaalsContact OD1-CB 3.25Å; D325-R327 WeakPolarHBondContact OD1-CB 3.28Å; D325-R327 VanDerWaalsContact OD1-CG 3.3Å; D325-R327 WeakPolarHBondContact OD1-CG 3.45Å; D325-R327 PolarHBondContact OD1-N 2.93Å; D325-R327 IonicContact OD1-NE 3.94Å; D325-R327 PolarHBondContact OD1-NE 3.42Å; D325-R327 VanDerWaalsContact OD1-NE 3.13Å; D325-R327 IonicContact OD2-CZ 2.74Å; D325-R327 IonicContact OD2-NE 2.59Å; D325-R327 PolarHBondContact OD2-NE 3.48Å; D325-R327 IonicContact OD2-NH2 3.74Å; D325-R327 PolarHBondContact OD2-NH2 2.98Å; R327-C330 VanDerWaalsContact CA-SG 3.59Å; R327-C330 PolarHBondContact O-SG 2.91Å; R327-Q331 WeakPolarHBondContact O-CG 3.43Å; R327-Q331 PolarHBondContact O-NE2 2.91Å; R327-V372 HydrophobicContact CB-CB 3.59Å; R327-V372 HydrophobicContact CB-CG2 3.55Å; R327-V372 HydrophobicContact CG-CB 4.48Å; R327-V372 HydrophobicContact CG-CG2 4.46Å |
| 328 | F | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.6 | -45.6 | 169.2 | 178.1 | -87.5 | 0 | 0 | 0 | 110 | T324 D325 C330 Q331 K332 V348 Y352 P370 N371 A374 H375 | T324-F328 HydrophobicContact CG2-CB 4.21Å; T324-F328 HydrophobicContact CG2-CD1 3.7Å; T324-F328 HydrophobicContact CG2-CE1 4.48Å; T324-F328 HydrophobicContact CG2-CG 4.25Å; D325-F328 HydrophobicContact CB-CB 4.34Å; D325-F328 WeakPolarHBondContact O-CA 3.34Å; D325-F328 VanDerWaalsContact O-CB 3.3Å; D325-F328 WeakPolarHBondContact O-CB 3.36Å; D325-F328 PolarHBondContact O-N 3.39Å; F328-C330 PolarHBondContact O-N 3.01Å; F328-Q331 WeakPolarHBondContact O-CB 3.49Å; F328-Q331 PolarHBondContact O-N 2.8Å; F328-K332 PolarHBondContact O-N 2.96Å; F328-V348 HydrophobicContact CE2-CG1 4.02Å; F328-V348 HydrophobicContact CZ-CG1 4.13Å; F328-Y352 AromaticContact CE1-CD1 3.99Å; F328-Y352 HydrophobicContact CE1-CD1 3.99Å; F328-Y352 AromaticContact CE1-CD2 3.88Å; F328-Y352 HydrophobicContact CE1-CD2 3.88Å; F328-Y352 HydrophobicContact CE1-CE1 4.27Å; F328-Y352 HydrophobicContact CE1-CE2 4.16Å; F328-Y352 AromaticContact CE1-CG 3.78Å; F328-Y352 HydrophobicContact CE1-CG 3.78Å; F328-Y352 HydrophobicContact CZ-CD2 4.19Å; F328-Y352 AromaticContact CZ-CG 3.98Å; F328-Y352 HydrophobicContact CZ-CG 3.98Å; F328-P370 HydrophobicContact CD1-CG 4Å; F328-P370 HydrophobicContact CD2-CB 3.89Å; F328-P370 HydrophobicContact CD2-CG 3.96Å; F328-P370 HydrophobicContact CE1-CG 4Å; F328-P370 HydrophobicContact CE2-CB 3.96Å; F328-P370 HydrophobicContact CE2-CG 3.96Å; F328-P370 HydrophobicContact CG-CB 4.31Å; F328-P370 HydrophobicContact CG-CG 3.98Å; F328-P370 HydrophobicContact CZ-CB 4.44Å; F328-P370 HydrophobicContact CZ-CG 3.98Å; F328-N371 WeakPolarHBondContact CD2-O 3.45Å; F328-A374 HydrophobicContact CD2-CB 3.95Å; F328-A374 HydrophobicContact CE2-CB 3.89Å; F328-H375 HydrophobicContact CD2-CB 3.75Å; F328-H375 HydrophobicContact CE2-CB 3.84Å; F328-H375 AromaticContact CE2-CD2 3.61Å; F328-H375 AromaticContact CZ-CD2 3.71Å |
| 329 | L | 97.7 | Very high | 93.6 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -41.9 | -177.1 | -65.6 | 175.3 | 0 | 0 | 0 | 112.8 | T324 D325 P326 Q331 K332 Q333 | T324-L329 HydrophobicContact CG2-CD1 4.38Å; T324-L329 HydrophobicContact CG2-CD2 3.78Å; T324-L329 HydrophobicContact CG2-CG 3.81Å; D325-L329 PolarHBondContact O-N 3.37Å; P326-L329 PolarHBondContact O-N 3.11Å; L329-Q331 VanDerWaalsContact C-N 3.31Å; L329-Q331 PolarHBondContact O-N 3.41Å; L329-K332 WeakPolarHBondContact O-CB 3.46Å; L329-K332 PolarHBondContact O-N 3.13Å; L329-Q333 VanDerWaalsContact O-CG 3.29Å; L329-Q333 WeakPolarHBondContact O-CG 3.5Å; L329-Q333 PolarHBondContact O-N 3.4Å |
| 330 | C | 97.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.054 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -34.5 | 178.1 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | I70 L74 L228 P326 R327 F328 Q333 F334 | I70-C330 HydrophobicContact CG2-CB 4.49Å; L74-C330 HydrophobicContact CD1-CB 4.03Å; L228-C330 HydrophobicContact CD1-CB 4.32Å; P326-C330 PolarHBondContact O-N 2.92Å; P326-C330 PolarHBondContact O-SG 3.24Å; R327-C330 VanDerWaalsContact CA-SG 3.59Å; R327-C330 PolarHBondContact O-SG 2.91Å; F328-C330 PolarHBondContact O-N 3.01Å; C330-Q333 PolarHBondContact O-N 3.44Å; C330-F334 WeakPolarHBondContact O-CB 3.35Å; C330-F334 PolarHBondContact O-N 3.45Å |
| 331 | Q | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 174 | -73.6 | -178.4 | 106.9 | 0 | 0 | 111.8 | I232 R327 F328 L329 F334 A335 V372 H375 L379 | I232-Q331 HydrophobicContact CD1-CG 3.63Å; R327-Q331 WeakPolarHBondContact O-CG 3.43Å; R327-Q331 PolarHBondContact O-NE2 2.91Å; F328-Q331 WeakPolarHBondContact O-CB 3.49Å; F328-Q331 PolarHBondContact O-N 2.8Å; L329-Q331 VanDerWaalsContact C-N 3.31Å; L329-Q331 PolarHBondContact O-N 3.41Å; Q331-F334 WeakPolarHBondContact O-CB 3.5Å; Q331-F334 PolarHBondContact O-N 2.59Å; Q331-A335 PolarHBondContact O-N 2.96Å; Q331-V372 VanDerWaalsContact NE2-CG2 3.29Å; Q331-V372 PolarHBondContact NE2-O 3.39Å; Q331-H375 HydrophobicContact CB-CB 4.09Å; Q331-L379 HydrophobicContact CB-CD1 3.75Å; Q331-L379 HydrophobicContact CG-CD1 3.99Å |
| 332 | K | 98.2 | Very high | 96.1 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 171.5 | -169.4 | -169.2 | -170.7 | -48.5 | 0 | 111.4 | F328 L329 F334 A335 E336 Y352 H375 | F328-K332 PolarHBondContact O-N 2.96Å; L329-K332 WeakPolarHBondContact O-CB 3.46Å; L329-K332 PolarHBondContact O-N 3.13Å; K332-F334 VanDerWaalsContact C-N 3.32Å; K332-F334 PolarHBondContact O-N 3.45Å; K332-A335 PolarHBondContact O-N 3.14Å; K332-E336 IonicContact NZ-OE1 2.79Å; K332-E336 PolarHBondContact NZ-OE1 2.95Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 3.18Å; K332-Y352 HydrophobicContact CD-CD1 4.46Å; K332-Y352 HydrophobicContact CD-CE1 4.46Å; K332-H375 WeakPolarHBondContact CA-NE2 3.5Å |
| 333 | Q | 97.9 | Very high | 96.5 | Very high | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 178.4 | -72.5 | 169.4 | -3.2 | 0 | 0 | 112.4 | L329 C330 R337 | L329-Q333 VanDerWaalsContact O-CG 3.29Å; L329-Q333 WeakPolarHBondContact O-CG 3.5Å; L329-Q333 PolarHBondContact O-N 3.4Å; C330-Q333 PolarHBondContact O-N 3.44Å; Q333-R337 WeakPolarHBondContact O-CD 3.41Å; Q333-R337 VanDerWaalsContact O-CG 3.25Å; Q333-R337 WeakPolarHBondContact O-CG 3.31Å; Q333-R337 PolarHBondContact O-N 3.39Å; Q333-R337 VanDerWaalsContact O-N 3.14Å |
| 334 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 173 | -178.5 | -82.8 | 0 | 0 | 0 | 111.1 | E84 L221 E224 L225 L228 C330 Q331 K332 E336 R337 F338 I339 F383 | E84-F334 HydrophobicContact CG-CD2 4.2Å; E84-F334 HydrophobicContact CG-CE2 4.23Å; L221-F334 WeakPolarHBondContact O-CZ 3.45Å; E224-F334 HydrophobicContact CB-CE2 3.75Å; E224-F334 HydrophobicContact CB-CZ 4.15Å; L225-F334 HydrophobicContact CB-CE1 3.97Å; L225-F334 HydrophobicContact CB-CE2 4.36Å; L225-F334 HydrophobicContact CB-CZ 3.73Å; L225-F334 HydrophobicContact CD1-CD1 4.3Å; L225-F334 HydrophobicContact CD1-CE1 4.23Å; L228-F334 HydrophobicContact CD2-CB 3.78Å; L228-F334 HydrophobicContact CD2-CD2 4Å; L228-F334 HydrophobicContact CD2-CG 4.09Å; C330-F334 WeakPolarHBondContact O-CB 3.35Å; C330-F334 PolarHBondContact O-N 3.45Å; Q331-F334 WeakPolarHBondContact O-CB 3.5Å; Q331-F334 PolarHBondContact O-N 2.59Å; K332-F334 VanDerWaalsContact C-N 3.32Å; K332-F334 PolarHBondContact O-N 3.45Å; F334-E336 PolarHBondContact O-N 3.4Å; F334-R337 PolarHBondContact O-N 2.89Å; F334-F338 HydrophobicContact CD1-CD2 4.35Å; F334-F338 AromaticContact CD2-CD2 3.84Å; F334-F338 HydrophobicContact CD2-CD2 3.84Å; F334-F338 HydrophobicContact CD2-CE2 4.03Å; F334-F338 HydrophobicContact CE1-CD2 4.2Å; F334-F338 AromaticContact CE2-CD2 3.7Å; F334-F338 HydrophobicContact CE2-CD2 3.7Å; F334-F338 AromaticContact CE2-CE2 3.93Å; F334-F338 HydrophobicContact CE2-CE2 3.93Å; F334-F338 HydrophobicContact CG-CD2 4.16Å; F334-F338 AromaticContact CZ-CD2 3.87Å; F334-F338 HydrophobicContact CZ-CD2 3.87Å; F334-F338 WeakPolarHBondContact O-CD2 3.42Å; F334-F338 PolarHBondContact O-N 2.75Å; F334-F338 VanDerWaalsContact O-N 3.13Å; F334-I339 HydrophobicContact CE1-CD1 4.48Å; F334-F383 HydrophobicContact CE1-CE2 4.13Å; F334-F383 HydrophobicContact CE1-CZ 4.41Å |
| 335 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q331 K332 R337 F338 I339 I345 W349 L379 | Q331-A335 PolarHBondContact O-N 2.96Å; K332-A335 PolarHBondContact O-N 3.14Å; A335-R337 PolarHBondContact O-N 3.01Å; A335-F338 PolarHBondContact O-N 3.17Å; A335-I339 HydrophobicContact CB-CD1 4.33Å; A335-I339 WeakPolarHBondContact O-CA 3.5Å; A335-I339 PolarHBondContact O-N 2.86Å; A335-I339 VanDerWaalsContact O-O 3.04Å; A335-I345 HydrophobicContact CB-CD1 4.42Å; A335-I345 HydrophobicContact CB-CG2 4.1Å; A335-W349 HydrophobicContact CB-CZ2 3.83Å; A335-L379 HydrophobicContact CB-CD2 3.85Å |
| 336 | E | 97.6 | Very high | 96.9 | Very high | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.5 | -35.5 | 176.5 | -73.8 | 173.8 | 146.9 | 0 | 0 | 113.1 | K332 F334 W349 | K332-E336 IonicContact NZ-OE1 2.79Å; K332-E336 PolarHBondContact NZ-OE1 2.95Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 3.18Å; F334-E336 PolarHBondContact O-N 3.4Å; E336-W349 HydrophobicContact CG-CH2 3.75Å; E336-W349 HydrophobicContact CG-CZ2 3.84Å |
| 337 | R | 96.9 | Very high | 97 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -75.8 | -39.9 | -179.3 | -73.7 | 164.6 | 63.5 | -158.1 | 0.8 | 112.7 | E84 Q333 F334 A335 | E84-R337 IonicContact OE1-CZ 2.59Å; E84-R337 IonicContact OE1-NH1 3.13Å; E84-R337 PolarHBondContact OE1-NH1 3.39Å; E84-R337 IonicContact OE1-NH2 2.7Å; Q333-R337 WeakPolarHBondContact O-CD 3.41Å; Q333-R337 VanDerWaalsContact O-CG 3.25Å; Q333-R337 WeakPolarHBondContact O-CG 3.31Å; Q333-R337 PolarHBondContact O-N 3.39Å; Q333-R337 VanDerWaalsContact O-N 3.14Å; F334-R337 PolarHBondContact O-N 2.89Å; A335-R337 PolarHBondContact O-N 3.01Å |
| 338 | F | 97.3 | Very high | 97 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -120.8 | -21.8 | -161.8 | -61.7 | -57.7 | 0 | 0 | 0 | 115.1 | N83 L221 F334 A335 | N83-F338 HydrophobicContact CB-CE2 4.48Å; N83-F338 HydrophobicContact CB-CZ 3.95Å; L221-F338 HydrophobicContact CD1-CB 4.24Å; L221-F338 HydrophobicContact CD2-CB 4.13Å; L221-F338 HydrophobicContact CD2-CD1 3.65Å; L221-F338 HydrophobicContact CD2-CE1 4.14Å; L221-F338 HydrophobicContact CD2-CG 3.86Å; F334-F338 HydrophobicContact CD1-CD2 4.35Å; F334-F338 AromaticContact CD2-CD2 3.84Å; F334-F338 HydrophobicContact CD2-CD2 3.84Å; F334-F338 HydrophobicContact CD2-CE2 4.03Å; F334-F338 HydrophobicContact CE1-CD2 4.2Å; F334-F338 AromaticContact CE2-CD2 3.7Å; F334-F338 HydrophobicContact CE2-CD2 3.7Å; F334-F338 AromaticContact CE2-CE2 3.93Å; F334-F338 HydrophobicContact CE2-CE2 3.93Å; F334-F338 HydrophobicContact CG-CD2 4.16Å; F334-F338 AromaticContact CZ-CD2 3.87Å; F334-F338 HydrophobicContact CZ-CD2 3.87Å; F334-F338 WeakPolarHBondContact O-CD2 3.42Å; F334-F338 PolarHBondContact O-N 2.75Å; F334-F338 VanDerWaalsContact O-N 3.13Å; A335-F338 PolarHBondContact O-N 3.17Å |
| 339 | I | 97 | Very high | 96.9 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | trans | -112.9 | 128.4 | -173.7 | -58.5 | 172.1 | 0 | 0 | 0 | 109.4 | F334 A335 D342 I345 L379 H382 F383 | F334-I339 HydrophobicContact CE1-CD1 4.48Å; A335-I339 HydrophobicContact CB-CD1 4.33Å; A335-I339 WeakPolarHBondContact O-CA 3.5Å; A335-I339 PolarHBondContact O-N 2.86Å; A335-I339 VanDerWaalsContact O-O 3.04Å; I339-D342 HydrophobicContact CG2-CB 3.91Å; I339-I345 HydrophobicContact CB-CD1 4.26Å; I339-I345 HydrophobicContact CD1-CD1 3.7Å; I339-I345 HydrophobicContact CG2-CD1 3.68Å; I339-L379 HydrophobicContact CD1-CD2 3.9Å; I339-H382 HydrophobicContact CD1-CB 4.41Å; I339-H382 WeakPolarHBondContact CG2-CE1 3.43Å; I339-H382 WeakPolarHBondContact CG2-NE2 3.44Å; I339-F383 HydrophobicContact CD1-CE2 4.05Å; I339-F383 HydrophobicContact CD1-CZ 4.37Å; I339-F383 HydrophobicContact CG1-CZ 4.41Å | ||
| 340 | K | 92.3 | Very high | 96.9 | Very high | 176 Ų | 176 | 50.6 Ų | 50.6 | 77% | 0.765 | 24% | 0.244 | S | C | * | . | trans | -120.5 | 141 | 177.6 | -60.4 | -172.7 | -178.7 | -177.6 | 0 | 110.1 | D342 | K340-D342 PolarHBondContact O-N 3.47Š| ||
| 341 | N | 91.5 | Very high | 96.9 | Very high | 172 Ų | 172 | 50.5 Ų | 50.5 | 92% | 0.92 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 58.4 | 38.3 | 169.5 | -51.4 | -34.4 | 0 | 0 | 0 | 114.8 | ||
| 342 | D | 96.7 | Very high | 96.9 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | trans | -94.4 | 119.1 | 170.5 | -172.1 | -63.9 | 0 | 0 | 0 | 110.5 | I339 K340 L344 I345 Q346 H382 | I339-D342 HydrophobicContact CG2-CB 3.91Å; K340-D342 PolarHBondContact O-N 3.47Å; D342-L344 PolarHBondContact O-N 2.98Å; D342-L344 PolarHBondContact OD1-N 3.4Å; D342-I345 HydrophobicContact CB-CB 4.01Å; D342-I345 HydrophobicContact CB-CD1 3.83Å; D342-I345 HydrophobicContact CB-CG1 4.06Å; D342-I345 PolarHBondContact O-N 3.47Å; D342-I345 PolarHBondContact OD1-N 3.06Å; D342-Q346 PolarHBondContact O-N 3.34Å; D342-H382 IonicContact OD2-CE1 3.08Å; D342-H382 IonicContact OD2-CG 3.34Å; D342-H382 IonicContact OD2-ND1 3.67Å; D342-H382 PolarHBondContact OD2-ND1 2.99Å | ||
| 343 | A | 95.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 57 Ų | 57 | 44% | 0.438 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.8 | -34.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q346 L347 | A343-Q346 PolarHBondContact O-N 3.27Å; A343-L347 PolarHBondContact O-N 2.89Å |
| 344 | L | 96.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 52 Ų | 52 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.5 | -37.9 | 179 | -74.5 | 174.9 | 0 | 0 | 0 | 110.8 | L283 D342 Q346 L347 V348 V378 | L283-L344 HydrophobicContact CB-CD2 4.39Å; D342-L344 PolarHBondContact O-N 2.98Å; D342-L344 PolarHBondContact OD1-N 3.4Å; L344-Q346 VanDerWaalsContact C-N 3.33Å; L344-L347 PolarHBondContact O-N 3.42Å; L344-V348 WeakPolarHBondContact O-CG2 3.37Å; L344-V348 PolarHBondContact O-N 2.85Å; L344-V378 HydrophobicContact CB-CB 4.31Å; L344-V378 HydrophobicContact CB-CG1 3.83Å |
| 345 | I | 97.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 172.7 | -67.2 | 174.7 | 0 | 0 | 0 | 110.6 | A335 I339 D342 L347 V348 W349 V378 L379 H382 | A335-I345 HydrophobicContact CB-CD1 4.42Å; A335-I345 HydrophobicContact CB-CG2 4.1Å; I339-I345 HydrophobicContact CB-CD1 4.26Å; I339-I345 HydrophobicContact CD1-CD1 3.7Å; I339-I345 HydrophobicContact CG2-CD1 3.68Å; D342-I345 HydrophobicContact CB-CB 4.01Å; D342-I345 HydrophobicContact CB-CD1 3.83Å; D342-I345 HydrophobicContact CB-CG1 4.06Å; D342-I345 PolarHBondContact O-N 3.47Å; D342-I345 PolarHBondContact OD1-N 3.06Å; I345-L347 VanDerWaalsContact C-N 3.32Å; I345-L347 PolarHBondContact O-N 2.98Å; I345-V348 PolarHBondContact O-N 2.92Å; I345-W349 HydrophobicContact CG2-CD2 4.2Å; I345-W349 VanDerWaalsContact CG2-CE2 3.49Å; I345-W349 HydrophobicContact CG2-CH2 4.18Å; I345-W349 HydrophobicContact CG2-CZ2 3.51Å; I345-W349 PolarHBondContact O-N 3.4Å; I345-W349 VanDerWaalsContact O-N 3.07Å; I345-V378 HydrophobicContact CG1-CB 3.99Å; I345-V378 HydrophobicContact CG1-CG2 3.74Å; I345-L379 HydrophobicContact CD1-CD2 3.8Å; I345-L379 HydrophobicContact CG1-CD2 4.35Å; I345-H382 HydrophobicContact CD1-CB 4.38Å |
| 346 | Q | 96.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.9 | -174.9 | 58.7 | 48.9 | 0 | 0 | 111.6 | D342 A343 L344 V348 W349 D350 | D342-Q346 PolarHBondContact O-N 3.34Å; A343-Q346 PolarHBondContact O-N 3.27Å; L344-Q346 VanDerWaalsContact C-N 3.33Å; Q346-V348 PolarHBondContact O-N 3.36Å; Q346-W349 PolarHBondContact O-N 3.14Å; Q346-W349 VanDerWaalsContact O-N 3.11Å; Q346-D350 PolarHBondContact NE2-OD1 2.89Å; Q346-D350 PolarHBondContact O-N 3.34Å |
| 347 | L | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.8 | 177.2 | 60.8 | 0 | 0 | 0 | 112.4 | L283 I286 Y294 L299 A343 L344 I345 W349 D350 L351 | L283-L347 HydrophobicContact CB-CD2 4.37Å; L283-L347 HydrophobicContact CD2-CD2 3.85Å; L283-L347 HydrophobicContact CD2-CG 3.95Å; I286-L347 HydrophobicContact CB-CD2 4.11Å; I286-L347 HydrophobicContact CG2-CD1 3.96Å; I286-L347 HydrophobicContact CG2-CD2 3.86Å; Y294-L347 HydrophobicContact CE1-CD1 3.97Å; Y294-L347 HydrophobicContact CE2-CD1 4.22Å; Y294-L347 VanDerWaalsContact OH-CA 3.23Å; Y294-L347 WeakPolarHBondContact OH-CA 3.28Å; L299-L347 HydrophobicContact CD1-CD1 4.12Å; L299-L347 HydrophobicContact CD2-CD1 4.02Å; A343-L347 PolarHBondContact O-N 2.89Å; L344-L347 PolarHBondContact O-N 3.42Å; I345-L347 VanDerWaalsContact C-N 3.32Å; I345-L347 PolarHBondContact O-N 2.98Å; L347-W349 VanDerWaalsContact C-N 3.26Å; L347-W349 PolarHBondContact O-N 3.32Å; L347-D350 PolarHBondContact O-N 3.34Å; L347-L351 HydrophobicContact CD1-CD1 4.47Å; L347-L351 HydrophobicContact CD1-CG 4.28Å; L347-L351 HydrophobicContact CG-CD1 4.29Å; L347-L351 WeakPolarHBondContact O-CB 3.28Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.31Å; L347-L351 PolarHBondContact O-N 3.3Å |
| 348 | V | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -38.3 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L283 F328 L344 I345 Q346 Y352 A374 V378 | L283-V348 HydrophobicContact CD1-CG2 3.56Å; L283-V348 HydrophobicContact CD2-CG2 3.99Å; L283-V348 HydrophobicContact CG-CG2 4.45Å; F328-V348 HydrophobicContact CE2-CG1 4.02Å; F328-V348 HydrophobicContact CZ-CG1 4.13Å; L344-V348 WeakPolarHBondContact O-CG2 3.37Å; L344-V348 PolarHBondContact O-N 2.85Å; I345-V348 PolarHBondContact O-N 2.92Å; Q346-V348 PolarHBondContact O-N 3.36Å; V348-Y352 WeakPolarHBondContact O-CB 3.35Å; V348-Y352 PolarHBondContact O-N 3.32Å; V348-A374 WeakPolarHBondContact CG1-O 3.35Å; V348-V378 HydrophobicContact CG2-CG1 3.83Å; V348-V378 HydrophobicContact CG2-CG2 3.89Å |
| 349 | W | 97.5 | Very high | 96 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73 | -39.3 | 178.2 | -62.2 | -4.2 | 0 | 0 | 0 | 112.6 | A335 E336 I345 Q346 L347 L351 Y352 E353 H375 | A335-W349 HydrophobicContact CB-CZ2 3.83Å; E336-W349 HydrophobicContact CG-CH2 3.75Å; E336-W349 HydrophobicContact CG-CZ2 3.84Å; I345-W349 HydrophobicContact CG2-CD2 4.2Å; I345-W349 VanDerWaalsContact CG2-CE2 3.49Å; I345-W349 HydrophobicContact CG2-CH2 4.18Å; I345-W349 HydrophobicContact CG2-CZ2 3.51Å; I345-W349 PolarHBondContact O-N 3.4Å; I345-W349 VanDerWaalsContact O-N 3.07Å; Q346-W349 PolarHBondContact O-N 3.14Å; Q346-W349 VanDerWaalsContact O-N 3.11Å; L347-W349 VanDerWaalsContact C-N 3.26Å; L347-W349 PolarHBondContact O-N 3.32Å; W349-L351 VanDerWaalsContact C-N 3.32Å; W349-L351 PolarHBondContact O-N 2.81Å; W349-Y352 WeakPolarHBondContact O-CB 3.47Å; W349-Y352 PolarHBondContact O-N 2.87Å; W349-Y352 VanDerWaalsContact O-N 3.14Å; W349-E353 PolarHBondContact O-N 2.83Å; W349-E353 VanDerWaalsContact O-N 3.09Å; W349-H375 AromaticContact CD1-NE2 3.78Å; W349-H375 AromaticContact NE1-CE1 3.85Å; W349-H375 AromaticContact NE1-NE2 3.22Å; W349-H375 PolarHBondContact NE1-NE2 2.92Å |
| 350 | D | 97.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.2 | -67.6 | -24.9 | 0 | 0 | 0 | 110.8 | Y294 K296 L299 Q346 L347 Y352 E353 V354 | Y294-D350 HydrophobicContact CE2-CB 4.31Å; Y294-D350 VanDerWaalsContact CE2-OD2 3.28Å; Y294-D350 WeakPolarHBondContact CE2-OD2 3.48Å; Y294-D350 PolarHBondContact OH-OD2 3.4Å; K296-D350 WeakPolarHBondContact CE-OD1 3.13Å; K296-D350 HydrophobicContact CG-CB 4.49Å; K296-D350 IonicContact NZ-OD1 2.75Å; L299-D350 HydrophobicContact CD2-CB 3.93Å; Q346-D350 PolarHBondContact NE2-OD1 2.89Å; Q346-D350 PolarHBondContact O-N 3.34Å; L347-D350 PolarHBondContact O-N 3.34Å; D350-Y352 VanDerWaalsContact C-N 3.32Å; D350-Y352 PolarHBondContact O-N 2.89Å; D350-E353 PolarHBondContact O-N 2.88Å; D350-V354 WeakPolarHBondContact O-CG2 3.15Å; D350-V354 PolarHBondContact O-N 3.09Å |
| 351 | L | 97.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 171.2 | -72.7 | 172.3 | 0 | 0 | 0 | 111.7 | L283 I286 L299 L303 Y316 L347 W349 E353 V354 V355 | L283-L351 HydrophobicContact CD2-CD1 3.36Å; I286-L351 HydrophobicContact CD1-CD1 4.38Å; I286-L351 HydrophobicContact CD1-CD2 4.37Å; L299-L351 HydrophobicContact CD1-CD2 4.14Å; L299-L351 HydrophobicContact CD2-CD2 4.07Å; L299-L351 HydrophobicContact CD2-CG 4.36Å; L299-L351 HydrophobicContact CG-CD2 4.34Å; L303-L351 HydrophobicContact CD1-CD2 3.83Å; L303-L351 HydrophobicContact CD2-CD2 3.87Å; L303-L351 HydrophobicContact CG-CD2 4.34Å; Y316-L351 PolarHBondContact OH-O 2.98Å; L347-L351 HydrophobicContact CD1-CD1 4.47Å; L347-L351 HydrophobicContact CD1-CG 4.28Å; L347-L351 HydrophobicContact CG-CD1 4.29Å; L347-L351 WeakPolarHBondContact O-CB 3.28Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.31Å; L347-L351 PolarHBondContact O-N 3.3Å; W349-L351 VanDerWaalsContact C-N 3.32Å; W349-L351 PolarHBondContact O-N 2.81Å; L351-E353 PolarHBondContact O-N 3.24Å; L351-V354 PolarHBondContact O-N 3.33Å; L351-V355 HydrophobicContact CB-CG2 4.07Å; L351-V355 HydrophobicContact CD2-CG2 3.77Å; L351-V355 WeakPolarHBondContact O-CB 3.35Å; L351-V355 WeakPolarHBondContact O-CG2 3.46Å; L351-V355 PolarHBondContact O-N 2.96Å |
| 352 | Y | 97.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -33.6 | 178.5 | 178.1 | -130.4 | 0 | 0 | 0 | 112.9 | Y316 T324 F328 K332 V348 W349 D350 P356 P370 | Y316-Y352 WeakPolarHBondContact OH-CA 3.25Å; Y316-Y352 PolarHBondContact OH-N 3.49Å; Y316-Y352 VanDerWaalsContact OH-N 3.15Å; T324-Y352 HydrophobicContact CG2-CE2 3.83Å; T324-Y352 WeakPolarHBondContact OG1-CE2 3.35Å; T324-Y352 PolarHBondContact OG1-OH 3.1Å; F328-Y352 AromaticContact CE1-CD1 3.99Å; F328-Y352 HydrophobicContact CE1-CD1 3.99Å; F328-Y352 AromaticContact CE1-CD2 3.88Å; F328-Y352 HydrophobicContact CE1-CD2 3.88Å; F328-Y352 HydrophobicContact CE1-CE1 4.27Å; F328-Y352 HydrophobicContact CE1-CE2 4.16Å; F328-Y352 AromaticContact CE1-CG 3.78Å; F328-Y352 HydrophobicContact CE1-CG 3.78Å; F328-Y352 HydrophobicContact CZ-CD2 4.19Å; F328-Y352 AromaticContact CZ-CG 3.98Å; F328-Y352 HydrophobicContact CZ-CG 3.98Å; K332-Y352 HydrophobicContact CD-CD1 4.46Å; K332-Y352 HydrophobicContact CD-CE1 4.46Å; V348-Y352 WeakPolarHBondContact O-CB 3.35Å; V348-Y352 PolarHBondContact O-N 3.32Å; W349-Y352 WeakPolarHBondContact O-CB 3.47Å; W349-Y352 PolarHBondContact O-N 2.87Å; W349-Y352 VanDerWaalsContact O-N 3.14Å; D350-Y352 VanDerWaalsContact C-N 3.32Å; D350-Y352 PolarHBondContact O-N 2.89Å; Y352-P356 VanDerWaalsContact O-CD 3.22Å; Y352-P356 WeakPolarHBondContact O-CD 3.36Å; Y352-P356 WeakPolarHBondContact O-CG 3.39Å; Y352-P370 HydrophobicContact CD2-CG 3.57Å; Y352-P370 HydrophobicContact CE2-CG 3.82Å |
| 353 | E | 97 | Very high | 95.1 | Very high | 115 Ų | 115 | 43.1 Ų | 43.1 | 54% | 0.537 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -76.4 | -40.2 | 175.8 | -69.1 | -176.8 | -143.5 | 0 | 0 | 113.1 | K296 W349 D350 L351 | K296-E353 IonicContact NZ-OE1 3.79Å; K296-E353 PolarHBondContact NZ-OE1 2.92Å; K296-E353 VanDerWaalsContact NZ-OE1 3.08Å; K296-E353 IonicContact NZ-OE2 3.66Å; K296-E353 PolarHBondContact NZ-OE2 3.13Å; W349-E353 PolarHBondContact O-N 2.83Å; W349-E353 VanDerWaalsContact O-N 3.09Å; D350-E353 PolarHBondContact O-N 2.88Å; L351-E353 PolarHBondContact O-N 3.24Å |
| 354 | V | 96.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -95.4 | -33.5 | -170 | -54.6 | 0 | 0 | 0 | 0 | 114.6 | K296 L299 K300 L303 D350 L351 E357 I358 | K296-V354 HydrophobicContact CB-CG1 4.31Å; K296-V354 HydrophobicContact CG-CG1 4.48Å; L299-V354 HydrophobicContact CD2-CG2 4.15Å; L299-V354 HydrophobicContact CG-CG2 4.4Å; K300-V354 HydrophobicContact CD-CB 4.48Å; K300-V354 HydrophobicContact CD-CG1 4.43Å; K300-V354 HydrophobicContact CG-CB 3.86Å; K300-V354 HydrophobicContact CG-CG1 4.03Å; K300-V354 HydrophobicContact CG-CG2 4.38Å; L303-V354 HydrophobicContact CD1-CG2 3.67Å; D350-V354 WeakPolarHBondContact O-CG2 3.15Å; D350-V354 PolarHBondContact O-N 3.09Å; L351-V354 PolarHBondContact O-N 3.33Å; V354-E357 PolarHBondContact O-N 3.12Å; V354-I358 HydrophobicContact CG2-CD1 4.43Å; V354-I358 WeakPolarHBondContact O-CG1 3.46Å; V354-I358 PolarHBondContact O-N 3.35Å |
| 355 | V | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -43.3 | -173.5 | 173.4 | 0 | 0 | 0 | 0 | 112.5 | L303 I313 Y316 L351 E357 I358 L359 | L303-V355 HydrophobicContact CD1-CG2 3.87Å; I313-V355 HydrophobicContact CD1-CG1 3.74Å; I313-V355 HydrophobicContact CD1-CG2 4.11Å; I313-V355 HydrophobicContact CG2-CG1 4.25Å; I313-V355 HydrophobicContact CG2-CG2 4.38Å; Y316-V355 HydrophobicContact CD1-CB 3.92Å; Y316-V355 HydrophobicContact CD1-CG1 3.34Å; Y316-V355 HydrophobicContact CD2-CG1 4.1Å; Y316-V355 HydrophobicContact CE1-CB 3.67Å; Y316-V355 HydrophobicContact CE1-CG1 3.66Å; Y316-V355 HydrophobicContact CE1-CG2 4.42Å; Y316-V355 HydrophobicContact CE2-CG1 4.38Å; Y316-V355 HydrophobicContact CE2-CG2 4.46Å; Y316-V355 HydrophobicContact CG-CB 4.44Å; Y316-V355 HydrophobicContact CG-CG1 3.59Å; L351-V355 HydrophobicContact CB-CG2 4.07Å; L351-V355 HydrophobicContact CD2-CG2 3.77Å; L351-V355 WeakPolarHBondContact O-CB 3.35Å; L351-V355 WeakPolarHBondContact O-CG2 3.46Å; L351-V355 PolarHBondContact O-N 2.96Å; V355-E357 VanDerWaalsContact C-N 3.3Å; V355-E357 PolarHBondContact O-N 3.26Å; V355-I358 PolarHBondContact O-N 3.08Å; V355-L359 HydrophobicContact CG1-CD1 3.6Å; V355-L359 HydrophobicContact CG1-CG 3.86Å; V355-L359 WeakPolarHBondContact O-CG 3.24Å; V355-L359 PolarHBondContact O-N 3.21Å |
| 356 | P | 94.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | -179.1 | -27.9 | 37 | 0 | 0 | 0 | 113.4 | Y316 Y352 L359 Q360 P368 | Y316-P356 HydrophobicContact CE1-CG 4.47Å; Y352-P356 VanDerWaalsContact O-CD 3.22Å; Y352-P356 WeakPolarHBondContact O-CD 3.36Å; Y352-P356 WeakPolarHBondContact O-CG 3.39Å; P356-L359 PolarHBondContact O-N 3.25Å; P356-Q360 WeakPolarHBondContact O-CB 3.4Å; P356-Q360 VanDerWaalsContact O-CG 3.23Å; P356-Q360 WeakPolarHBondContact O-CG 3.23Å; P356-Q360 PolarHBondContact O-N 3.44Å; P356-P368 HydrophobicContact CB-CB 4.43Å; P356-P368 HydrophobicContact CB-CG 4.2Å |
| 357 | E | 93.3 | Very high | 93.1 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 177.1 | -173.4 | -170.9 | 179.5 | 0 | 0 | 111.3 | K300 V354 V355 L359 Q360 A361 | K300-E357 IonicContact NZ-OE2 3.51Å; K300-E357 PolarHBondContact NZ-OE2 2.79Å; V354-E357 PolarHBondContact O-N 3.12Å; V355-E357 VanDerWaalsContact C-N 3.3Å; V355-E357 PolarHBondContact O-N 3.26Å; E357-L359 PolarHBondContact O-N 3.01Å; E357-Q360 PolarHBondContact O-N 3.27Å; E357-A361 PolarHBondContact O-N 3.01Å |
| 358 | I | 94.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 179.3 | -64.3 | 167.5 | 0 | 0 | 0 | 110.8 | K300 L303 Q304 L307 V354 V355 A361 L362 | K300-I358 HydrophobicContact CB-CD1 4.32Å; K300-I358 HydrophobicContact CG-CD1 4.13Å; L303-I358 HydrophobicContact CB-CD1 3.87Å; L303-I358 HydrophobicContact CD1-CD1 3.62Å; L303-I358 HydrophobicContact CG-CD1 4.43Å; Q304-I358 HydrophobicContact CG-CG2 4.41Å; L307-I358 HydrophobicContact CD1-CG2 3.5Å; L307-I358 VanDerWaalsContact CD1-CG2 3.5Å; V354-I358 HydrophobicContact CG2-CD1 4.43Å; V354-I358 WeakPolarHBondContact O-CG1 3.46Å; V354-I358 PolarHBondContact O-N 3.35Å; V355-I358 PolarHBondContact O-N 3.08Å; I358-A361 PolarHBondContact O-N 3.44Å; I358-L362 PolarHBondContact O-N 2.84Å |
| 359 | L | 94 | Very high | 92.7 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.2 | -33.9 | -177.6 | -67.6 | -176.6 | 0 | 0 | 0 | 112.5 | L307 I313 V355 P356 E357 L362 V365 P368 | L307-L359 HydrophobicContact CD1-CD2 4.15Å; L307-L359 HydrophobicContact CD2-CD2 4.14Å; I313-L359 HydrophobicContact CD1-CD2 4.24Å; V355-L359 HydrophobicContact CG1-CD1 3.6Å; V355-L359 HydrophobicContact CG1-CG 3.86Å; V355-L359 WeakPolarHBondContact O-CG 3.24Å; V355-L359 PolarHBondContact O-N 3.21Å; P356-L359 PolarHBondContact O-N 3.25Å; E357-L359 PolarHBondContact O-N 3.01Å; L359-L362 HydrophobicContact CD2-CD1 4.23Å; L359-L362 PolarHBondContact O-N 2.98Å; L359-V365 HydrophobicContact CB-CB 4.24Å; L359-V365 HydrophobicContact CB-CG1 4.49Å; L359-V365 HydrophobicContact CB-CG2 4.34Å; L359-V365 HydrophobicContact CD1-CG1 4.43Å; L359-V365 HydrophobicContact CD2-CG2 4.25Å; L359-P368 HydrophobicContact CB-CB 3.64Å; L359-P368 HydrophobicContact CD1-CB 4.18Å |
| 360 | Q | 91.2 | Very high | 92.7 | Very high | 106 Ų | 106 | 56.7 Ų | 56.7 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 173.2 | -75.4 | 173.8 | -4.1 | 0 | 0 | 111.6 | P356 E357 L362 G363 P368 | P356-Q360 WeakPolarHBondContact O-CB 3.4Å; P356-Q360 VanDerWaalsContact O-CG 3.23Å; P356-Q360 WeakPolarHBondContact O-CG 3.23Å; P356-Q360 PolarHBondContact O-N 3.44Å; E357-Q360 PolarHBondContact O-N 3.27Å; Q360-L362 PolarHBondContact O-N 3.39Å; Q360-G363 PolarHBondContact O-N 3.36Å; Q360-P368 HydrophobicContact CG-CB 4.24Å; Q360-P368 HydrophobicContact CG-CG 3.71Å |
| 361 | A | 92 | Very high | 92.6 | Very high | 90 Ų | 90 | 56.6 Ų | 56.6 | 74% | 0.744 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.2 | -26.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E357 I358 G363 | E357-A361 PolarHBondContact O-N 3.01Å; I358-A361 PolarHBondContact O-N 3.44Å; A361-G363 VanDerWaalsContact C-N 3.31Å; A361-G363 PolarHBondContact O-N 3.5Å |
| 362 | L | 89.4 | Confident | 92.5 | Very high | 80 Ų | 80 | 56.4 Ų | 56.4 | 42% | 0.419 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.2 | 174.7 | -65.4 | 179.2 | 0 | 0 | 0 | 113.9 | L307 I358 L359 Q360 K364 | L307-L362 HydrophobicContact CD1-CD1 4.13Å; L307-L362 HydrophobicContact CD2-CD1 4.46Å; I358-L362 PolarHBondContact O-N 2.84Å; L359-L362 HydrophobicContact CD2-CD1 4.23Å; L359-L362 PolarHBondContact O-N 2.98Å; Q360-L362 PolarHBondContact O-N 3.39Å; L362-K364 PolarHBondContact O-N 3.39Å |
| 363 | G | 85.1 | Confident | 92.5 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 73% | 0.732 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 65.9 | 2.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q360 A361 | Q360-G363 PolarHBondContact O-N 3.36Å; A361-G363 VanDerWaalsContact C-N 3.31Å; A361-G363 PolarHBondContact O-N 3.5Å |
| 364 | K | 84.3 | Confident | 92.6 | Very high | 192 Ų | 192 | 49.5 Ų | 49.5 | 84% | 0.835 | 27% | 0.267 | S | S | * | . | trans | -99.9 | -23.6 | -177.5 | -65.8 | 178.6 | -174.2 | 176.6 | 0 | 113.7 | L362 | L362-K364 PolarHBondContact O-N 3.39Š| ||
| 365 | V | 84.3 | Confident | 92.6 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | trans | -100.3 | 112.9 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | L359 P368 | L359-V365 HydrophobicContact CB-CB 4.24Å; L359-V365 HydrophobicContact CB-CG1 4.49Å; L359-V365 HydrophobicContact CB-CG2 4.34Å; L359-V365 HydrophobicContact CD1-CG1 4.43Å; L359-V365 HydrophobicContact CD2-CG2 4.25Å; V365-P368 HydrophobicContact CG1-CB 4.31Å | ||
| 366 | K | 84.6 | Confident | 92.7 | Very high | 175 Ų | 175 | 49.4 Ų | 49.4 | 76% | 0.761 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -66.7 | -42.7 | -176.3 | -169.2 | 176.5 | -178.3 | 178 | 0 | 112.7 | ||
| 367 | N | 90.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | trans | -130.3 | 101 | 179.9 | -42.5 | -69.7 | 0 | 0 | 0 | 110.1 | G317 H318 A319 L321 Y369 | G317-N367 CarbonylContact C-O 3.46Å; G317-N367 VanDerWaalsContact CA-O 3.25Å; G317-N367 WeakPolarHBondContact CA-O 3.18Å; H318-N367 PolarHBondContact N-O 2.96Å; H318-N367 WeakPolarHBondContact O-CB 3.37Å; H318-N367 PolarHBondContact O-ND2 3.24Å; A319-N367 PolarHBondContact O-ND2 3.41Å; L321-N367 WeakPolarHBondContact O-CB 3.43Å; L321-N367 PolarHBondContact O-ND2 2.99Å; N367-Y369 HydrophobicContact CB-CD2 4.39Å; N367-Y369 PolarHBondContact O-N 3.07Å | ||
| 368 | P | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | trans | -87.9 | 22.3 | -167.2 | 42.2 | -46.4 | 0 | 0 | 0 | 113.3 | Y316 P356 L359 Q360 V365 | Y316-P368 WeakPolarHBondContact CD1-O 3.35Å; P356-P368 HydrophobicContact CB-CB 4.43Å; P356-P368 HydrophobicContact CB-CG 4.2Å; L359-P368 HydrophobicContact CB-CB 3.64Å; L359-P368 HydrophobicContact CD1-CB 4.18Å; Q360-P368 HydrophobicContact CG-CB 4.24Å; Q360-P368 HydrophobicContact CG-CG 3.71Å; V365-P368 HydrophobicContact CG1-CB 4.31Å | ||
| 369 | Y | 94.9 | Very high | 93.3 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 28% | 0.275 | 24% | 0.236 | S | C | . | . | trans | -95.4 | 154.8 | -171.4 | -57.3 | -74.7 | 0 | 0 | 0 | 112.1 | G317 R322 N367 | G317-Y369 PolarHBondContact N-O 2.98Å; R322-Y369 WeakPolarHBondContact O-CD2 3.46Å; R322-Y369 WeakPolarHBondContact O-CE2 3.48Å; N367-Y369 HydrophobicContact CB-CD2 4.39Å; N367-Y369 PolarHBondContact O-N 3.07Å | ||
| 370 | P | 96.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 160.8 | 179.2 | 31.3 | -33.1 | 0 | 0 | 0 | 113 | G315 Y316 T324 D325 F328 Y352 A374 | G315-P370 CarbonylContact O-C 3.6Å; G315-P370 WeakPolarHBondContact O-CA 3.35Å; Y316-P370 HydrophobicContact CD1-CB 4.02Å; Y316-P370 HydrophobicContact CD1-CG 4.49Å; Y316-P370 HydrophobicContact CD2-CB 4.43Å; Y316-P370 HydrophobicContact CE1-CB 3.67Å; Y316-P370 HydrophobicContact CE1-CG 3.88Å; Y316-P370 HydrophobicContact CE2-CB 4.11Å; Y316-P370 HydrophobicContact CG-CB 4.39Å; T324-P370 HydrophobicContact CG2-CG 4Å; D325-P370 WeakPolarHBondContact CB-O 3.24Å; D325-P370 PolarHBondContact N-O 3.49Å; F328-P370 HydrophobicContact CD1-CG 4Å; F328-P370 HydrophobicContact CD2-CB 3.89Å; F328-P370 HydrophobicContact CD2-CG 3.96Å; F328-P370 HydrophobicContact CE1-CG 4Å; F328-P370 HydrophobicContact CE2-CB 3.96Å; F328-P370 HydrophobicContact CE2-CG 3.96Å; F328-P370 HydrophobicContact CG-CB 4.31Å; F328-P370 HydrophobicContact CG-CG 3.98Å; F328-P370 HydrophobicContact CZ-CB 4.44Å; F328-P370 HydrophobicContact CZ-CG 3.98Å; Y352-P370 HydrophobicContact CD2-CG 3.57Å; Y352-P370 HydrophobicContact CE2-CG 3.82Å; P370-A374 HydrophobicContact CB-CB 3.82Å |
| 371 | N | 95.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | trans | -109.2 | 180 | 172.5 | 76.6 | -1 | 0 | 0 | 0 | 113 | G315 H318 D325 F328 D373 A374 | G315-N371 PolarHBondContact O-N 3.35Å; G315-N371 PolarHBondContact O-OD1 3.5Å; H318-N371 WeakPolarHBondContact CE1-CB 3.18Å; H318-N371 VanDerWaalsContact CE1-CG 3.46Å; H318-N371 PolarHBondContact CE1-ND2 3.44Å; H318-N371 VanDerWaalsContact NE2-CB 3.27Å; H318-N371 WeakPolarHBondContact NE2-CB 3.42Å; H318-N371 PolarHBondContact NE2-ND2 2.95Å; H318-N371 VanDerWaalsContact NE2-ND2 3.17Å; D325-N371 HydrophobicContact CB-CB 4.5Å; F328-N371 WeakPolarHBondContact CD2-O 3.45Å; N371-D373 PolarHBondContact ND2-OD2 3.44Å; N371-D373 VanDerWaalsContact ND2-OD2 3.09Å; N371-D373 PolarHBondContact O-N 2.95Å; N371-D373 WeakPolarHBondContact OD1-CB 3.33Å; N371-D373 PolarHBondContact OD1-N 3.37Å; N371-A374 WeakPolarHBondContact O-CB 3.26Å; N371-A374 PolarHBondContact O-N 3.25Å; N371-A374 PolarHBondContact OD1-N 3.32Å | ||
| 372 | V | 97.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -38.7 | 177.1 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | I232 H233 D325 R327 Q331 A374 H375 S376 | I232-V372 HydrophobicContact CD1-CG2 4.09Å; I232-V372 HydrophobicContact CG1-CG2 4.46Å; H233-V372 VanDerWaalsContact CE1-CG2 3.45Å; H233-V372 WeakPolarHBondContact CE1-CG2 3.37Å; H233-V372 WeakPolarHBondContact NE2-CG2 3.31Å; D325-V372 PolarHBondContact OD2-N 3.32Å; D325-V372 VanDerWaalsContact OD2-N 3.11Å; R327-V372 HydrophobicContact CB-CB 3.59Å; R327-V372 HydrophobicContact CB-CG2 3.55Å; R327-V372 HydrophobicContact CG-CB 4.48Å; R327-V372 HydrophobicContact CG-CG2 4.46Å; Q331-V372 VanDerWaalsContact NE2-CG2 3.29Å; Q331-V372 PolarHBondContact NE2-O 3.39Å; V372-A374 VanDerWaalsContact C-N 3.26Å; V372-A374 PolarHBondContact O-N 3.05Å; V372-H375 PolarHBondContact O-N 3.13Å; V372-S376 PolarHBondContact O-N 2.99Å |
| 373 | D | 97.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.7 | -21.5 | -172.8 | -56.3 | -68.6 | 0 | 0 | 0 | 112.3 | A275 N276 N371 H375 | A275-D373 HydrophobicContact CB-CB 3.79Å; N276-D373 HydrophobicContact CB-CB 4.46Å; N371-D373 PolarHBondContact ND2-OD2 3.44Å; N371-D373 VanDerWaalsContact ND2-OD2 3.09Å; N371-D373 PolarHBondContact O-N 2.95Å; N371-D373 WeakPolarHBondContact OD1-CB 3.33Å; N371-D373 PolarHBondContact OD1-N 3.37Å; D373-H375 PolarHBondContact O-N 2.64Å |
| 374 | A | 97.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.5 | -12.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y316 F328 V348 P370 N371 V372 | Y316-A374 HydrophobicContact CE2-CB 4.49Å; F328-A374 HydrophobicContact CD2-CB 3.95Å; F328-A374 HydrophobicContact CE2-CB 3.89Å; V348-A374 WeakPolarHBondContact CG1-O 3.35Å; P370-A374 HydrophobicContact CB-CB 3.82Å; N371-A374 WeakPolarHBondContact O-CB 3.26Å; N371-A374 PolarHBondContact O-N 3.25Å; N371-A374 PolarHBondContact OD1-N 3.32Å; V372-A374 VanDerWaalsContact C-N 3.26Å; V372-A374 PolarHBondContact O-N 3.05Å |
| 375 | H | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -125.8 | -34.7 | -175 | -148.4 | -56.5 | 0 | 0 | 0 | 113.8 | F328 Q331 K332 W349 V372 D373 G377 V378 | F328-H375 HydrophobicContact CD2-CB 3.75Å; F328-H375 HydrophobicContact CE2-CB 3.84Å; F328-H375 AromaticContact CE2-CD2 3.61Å; F328-H375 AromaticContact CZ-CD2 3.71Å; Q331-H375 HydrophobicContact CB-CB 4.09Å; K332-H375 WeakPolarHBondContact CA-NE2 3.5Å; W349-H375 AromaticContact CD1-NE2 3.78Å; W349-H375 AromaticContact NE1-CE1 3.85Å; W349-H375 AromaticContact NE1-NE2 3.22Å; W349-H375 PolarHBondContact NE1-NE2 2.92Å; V372-H375 PolarHBondContact O-N 3.13Å; D373-H375 PolarHBondContact O-N 2.64Å; H375-G377 VanDerWaalsContact C-N 3.29Å; H375-G377 PolarHBondContact O-N 2.98Å; H375-G377 VanDerWaalsContact O-N 3.15Å; H375-V378 WeakPolarHBondContact O-CG2 3.14Å; H375-V378 PolarHBondContact O-N 3.43Å |
| 376 | S | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.1 | -39 | -169.7 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | N276 V372 V378 L379 L380 | N276-S376 VanDerWaalsContact CG-OG 3.28Å; N276-S376 PolarHBondContact ND2-OG 2.96Å; V372-S376 PolarHBondContact O-N 2.99Å; S376-V378 PolarHBondContact O-N 3.46Å; S376-L379 PolarHBondContact O-N 2.88Å; S376-L380 WeakPolarHBondContact O-CG 3.38Å; S376-L380 PolarHBondContact O-N 2.81Å |
| 377 | G | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N276 L280 H375 L379 L380 Q381 | N276-G377 WeakPolarHBondContact OD1-CA 3.12Å; N276-G377 PolarHBondContact OD1-N 3.03Å; L280-G377 VanDerWaalsContact CD1-CA 3.46Å; H375-G377 VanDerWaalsContact C-N 3.29Å; H375-G377 PolarHBondContact O-N 2.98Å; H375-G377 VanDerWaalsContact O-N 3.15Å; G377-L379 VanDerWaalsContact C-N 3.3Å; G377-L379 PolarHBondContact O-N 3.17Å; G377-L380 PolarHBondContact O-N 3.43Å; G377-Q381 WeakPolarHBondContact O-CG 3.2Å; G377-Q381 PolarHBondContact O-N 3.19Å |
| 378 | V | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.9 | -31.2 | -178.5 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | L280 L283 L344 I345 V348 H375 S376 Q381 H382 | L280-V378 HydrophobicContact CD2-CG1 3.86Å; L283-V378 HydrophobicContact CD1-CG1 3.51Å; L344-V378 HydrophobicContact CB-CB 4.31Å; L344-V378 HydrophobicContact CB-CG1 3.83Å; I345-V378 HydrophobicContact CG1-CB 3.99Å; I345-V378 HydrophobicContact CG1-CG2 3.74Å; V348-V378 HydrophobicContact CG2-CG1 3.83Å; V348-V378 HydrophobicContact CG2-CG2 3.89Å; H375-V378 WeakPolarHBondContact O-CG2 3.14Å; H375-V378 PolarHBondContact O-N 3.43Å; S376-V378 PolarHBondContact O-N 3.46Å; V378-Q381 PolarHBondContact O-N 3.38Å; V378-H382 WeakPolarHBondContact O-CB 3.39Å; V378-H382 PolarHBondContact O-N 2.81Å |
| 379 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 174.1 | -56.8 | -174.2 | 0 | 0 | 0 | 111.7 | L225 Q331 A335 I339 I345 S376 G377 H382 F383 | L225-L379 HydrophobicContact CD1-CB 3.85Å; L225-L379 HydrophobicContact CD1-CD1 3.68Å; L225-L379 HydrophobicContact CD1-CG 4.4Å; L225-L379 HydrophobicContact CD2-CB 3.77Å; L225-L379 HydrophobicContact CG-CB 4.49Å; Q331-L379 HydrophobicContact CB-CD1 3.75Å; Q331-L379 HydrophobicContact CG-CD1 3.99Å; A335-L379 HydrophobicContact CB-CD2 3.85Å; I339-L379 HydrophobicContact CD1-CD2 3.9Å; I345-L379 HydrophobicContact CD1-CD2 3.8Å; I345-L379 HydrophobicContact CG1-CD2 4.35Å; S376-L379 PolarHBondContact O-N 2.88Å; G377-L379 VanDerWaalsContact C-N 3.3Å; G377-L379 PolarHBondContact O-N 3.17Å; L379-H382 PolarHBondContact O-N 2.97Å; L379-F383 WeakPolarHBondContact O-CD2 3.35Å; L379-F383 PolarHBondContact O-N 3.44Å |
| 380 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.2 | -64.2 | -178.3 | 0 | 0 | 0 | 111.4 | F222 L225 S376 G377 F383 G384 M385 Y391 L394 | F222-L380 HydrophobicContact CE2-CD2 4.45Å; L225-L380 HydrophobicContact CD2-CD2 4.18Å; S376-L380 WeakPolarHBondContact O-CG 3.38Å; S376-L380 PolarHBondContact O-N 2.81Å; G377-L380 PolarHBondContact O-N 3.43Å; L380-F383 PolarHBondContact O-N 3.04Å; L380-G384 PolarHBondContact O-N 3.3Å; L380-M385 CarbonylContact C-O 3.52Å; L380-M385 HydrophobicContact CB-CB 4.44Å; L380-M385 HydrophobicContact CD1-CE 4.45Å; L380-M385 HydrophobicContact CD2-CE 3.65Å; L380-M385 HydrophobicContact CG-CE 4.43Å; L380-M385 PolarHBondContact O-N 3.06Å; L380-Y391 HydrophobicContact CB-CE1 4.25Å; L380-Y391 HydrophobicContact CB-CE2 4.37Å; L380-Y391 HydrophobicContact CD1-CD1 3.82Å; L380-Y391 HydrophobicContact CD1-CD2 3.95Å; L380-Y391 HydrophobicContact CD1-CE1 3.85Å; L380-Y391 HydrophobicContact CD1-CE2 3.92Å; L380-Y391 HydrophobicContact CD1-CG 3.89Å; L380-L394 HydrophobicContact CD1-CD1 3.78Å; L380-L394 HydrophobicContact CD2-CD1 4.33Å |
| 381 | Q | 97.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.9 | -36.4 | 178.6 | -72.6 | -170.7 | 0.1 | 0 | 0 | 113.2 | L280 H284 G377 V378 F383 G384 K386 Y391 | L280-Q381 HydrophobicContact CD1-CG 4.32Å; L280-Q381 VanDerWaalsContact CD1-NE2 3.35Å; L280-Q381 HydrophobicContact CD2-CG 4.38Å; H284-Q381 PolarHBondContact CE1-OE1 3.3Å; H284-Q381 VanDerWaalsContact CE1-OE1 3.27Å; H284-Q381 PolarHBondContact NE2-NE2 3.44Å; H284-Q381 PolarHBondContact NE2-OE1 2.94Å; G377-Q381 WeakPolarHBondContact O-CG 3.2Å; G377-Q381 PolarHBondContact O-N 3.19Å; V378-Q381 PolarHBondContact O-N 3.38Å; Q381-F383 VanDerWaalsContact C-N 3.29Å; Q381-F383 PolarHBondContact O-N 3.37Å; Q381-G384 WeakPolarHBondContact O-CA 3.42Å; Q381-G384 PolarHBondContact O-N 3.07Å; Q381-K386 HydrophobicContact CG-CG 4.44Å; Q381-Y391 VanDerWaalsContact CG-OH 3.31Å; Q381-Y391 WeakPolarHBondContact CG-OH 3.4Å |
| 382 | H | 98 | Very high | 98 | Very high | 68 Ų | 68 | 23.8 Ų | 23.8 | 32% | 0.315 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -54.6 | -46.8 | 176.9 | -179.3 | 74.7 | 0 | 0 | 0 | 111.6 | I339 D342 I345 V378 L379 G384 | I339-H382 HydrophobicContact CD1-CB 4.41Å; I339-H382 WeakPolarHBondContact CG2-CE1 3.43Å; I339-H382 WeakPolarHBondContact CG2-NE2 3.44Å; D342-H382 IonicContact OD2-CE1 3.08Å; D342-H382 IonicContact OD2-CG 3.34Å; D342-H382 IonicContact OD2-ND1 3.67Å; D342-H382 PolarHBondContact OD2-ND1 2.99Å; I345-H382 HydrophobicContact CD1-CB 4.38Å; V378-H382 WeakPolarHBondContact O-CB 3.39Å; V378-H382 PolarHBondContact O-N 2.81Å; L379-H382 PolarHBondContact O-N 2.97Å; H382-G384 PolarHBondContact O-N 3.27Å |
| 383 | F | 97.9 | Very high | 98 | Very high | 25 Ų | 25 | 23.7 Ų | 23.7 | 11% | 0.11 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2.9 | 177.7 | -69.8 | -71.4 | 0 | 0 | 0 | 114 | Y217 L221 F222 L225 F334 I339 L379 L380 Q381 | Y217-F383 VanDerWaalsContact CE1-O 3.23Å; Y217-F383 WeakPolarHBondContact CE1-O 3.48Å; L221-F383 HydrophobicContact CB-CE1 3.57Å; L221-F383 HydrophobicContact CB-CZ 3.6Å; F222-F383 HydrophobicContact CB-CB 4.07Å; F222-F383 HydrophobicContact CB-CD1 3.87Å; F222-F383 HydrophobicContact CB-CD2 4.45Å; F222-F383 HydrophobicContact CB-CE1 4.47Å; F222-F383 HydrophobicContact CB-CG 3.87Å; F222-F383 HydrophobicContact CD2-CB 3.41Å; F222-F383 VanDerWaalsContact CD2-CB 3.41Å; F222-F383 HydrophobicContact CD2-CD2 4.06Å; F222-F383 AromaticContact CD2-CG 3.8Å; F222-F383 HydrophobicContact CD2-CG 3.8Å; F222-F383 HydrophobicContact CE2-CB 4.22Å; F222-F383 HydrophobicContact CG-CB 4.09Å; F222-F383 HydrophobicContact CG-CG 4.31Å; L225-F383 HydrophobicContact CB-CE2 4.26Å; L225-F383 HydrophobicContact CD2-CD2 3.54Å; L225-F383 HydrophobicContact CD2-CE2 3.85Å; F334-F383 HydrophobicContact CE1-CE2 4.13Å; F334-F383 HydrophobicContact CE1-CZ 4.41Å; I339-F383 HydrophobicContact CD1-CE2 4.05Å; I339-F383 HydrophobicContact CD1-CZ 4.37Å; I339-F383 HydrophobicContact CG1-CZ 4.41Å; L379-F383 WeakPolarHBondContact O-CD2 3.35Å; L379-F383 PolarHBondContact O-N 3.44Å; L380-F383 PolarHBondContact O-N 3.04Å; Q381-F383 VanDerWaalsContact C-N 3.29Å; Q381-F383 PolarHBondContact O-N 3.37Å |
| 384 | G | 97.2 | Very high | 98.1 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 30% | 0.299 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 7.5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y217 L380 Q381 H382 K386 | Y217-G384 VanDerWaalsContact OH-C 3.26Å; Y217-G384 PolarHBondContact OH-O 3.04Å; L380-G384 PolarHBondContact O-N 3.3Å; Q381-G384 WeakPolarHBondContact O-CA 3.42Å; Q381-G384 PolarHBondContact O-N 3.07Å; H382-G384 PolarHBondContact O-N 3.27Å; G384-K386 PolarHBondContact O-N 3.08Å |
| 385 | M | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -84.4 | 89.1 | 169.2 | -179.8 | 147.4 | 56.8 | 0 | 0 | 109.2 | Y188 Y217 F222 L380 F390 Y391 L394 | Y188-M385 HydrophobicContact CE2-CG 4.43Å; Y188-M385 HydrophobicContact CE2-SD 4.17Å; Y217-M385 WeakPolarHBondContact OH-CA 3.4Å; Y217-M385 WeakPolarHBondContact OH-CB 3.37Å; Y217-M385 PolarHBondContact OH-N 3.38Å; F222-M385 HydrophobicContact CE2-CE 3.79Å; F222-M385 HydrophobicContact CZ-CE 3.49Å; F222-M385 VanDerWaalsContact CZ-CE 3.49Å; L380-M385 CarbonylContact C-O 3.52Å; L380-M385 HydrophobicContact CB-CB 4.44Å; L380-M385 HydrophobicContact CD1-CE 4.45Å; L380-M385 HydrophobicContact CD2-CE 3.65Å; L380-M385 HydrophobicContact CG-CE 4.43Å; L380-M385 PolarHBondContact O-N 3.06Å; M385-F390 HydrophobicContact SD-CD1 4.12Å; M385-F390 HydrophobicContact SD-CE1 4.49Å; M385-Y391 HydrophobicContact CG-CE1 3.94Å; M385-Y391 WeakPolarHBondContact O-CE1 3.37Å; M385-Y391 PolarHBondContact O-OH 3.46Å; M385-L394 HydrophobicContact CE-CD1 3.31Å; M385-L394 HydrophobicContact CE-CD2 4.25Å; M385-L394 HydrophobicContact CE-CG 4.38Å; M385-L394 HydrophobicContact SD-CD1 3.93Å | ||
| 386 | K | 97.7 | Very high | 98.2 | Very high | 141 Ų | 141 | 23.2 Ų | 23.2 | 61% | 0.613 | 12% | 0.118 | S | C | * | . | trans | -99.1 | -6.1 | -172 | -63.5 | -177 | 179 | -178.2 | 0 | 113.6 | Q381 G384 M388 | Q381-K386 HydrophobicContact CG-CG 4.44Å; G384-K386 PolarHBondContact O-N 3.08Å; K386-M388 PolarHBondContact O-N 3.49Å | ||
| 387 | E | 97.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 23.1 Ų | 23.1 | 17% | 0.168 | 12% | 0.117 | C | C | . | . | trans | -79.7 | 79.8 | -174.1 | -56.5 | 87.6 | 173.3 | 0 | 0 | 111.4 | Y188 F192 K193 N389 F390 | Y188-E387 HydrophobicContact CE2-CB 4.28Å; Y188-E387 HydrophobicContact CE2-CG 4.32Å; Y188-E387 WeakPolarHBondContact CE2-OE2 3.47Å; Y188-E387 PolarHBondContact OH-OE1 3.39Å; Y188-E387 PolarHBondContact OH-OE2 2.8Å; F192-E387 HydrophobicContact CB-CG 3.93Å; F192-E387 HydrophobicContact CD1-CB 4.07Å; F192-E387 HydrophobicContact CD1-CG 3.75Å; F192-E387 HydrophobicContact CD2-CB 4.01Å; F192-E387 HydrophobicContact CD2-CG 4.02Å; F192-E387 HydrophobicContact CE1-CB 4.06Å; F192-E387 HydrophobicContact CE1-CG 4.25Å; F192-E387 HydrophobicContact CE2-CB 4.02Å; F192-E387 HydrophobicContact CG-CB 4.04Å; F192-E387 HydrophobicContact CG-CG 3.62Å; F192-E387 HydrophobicContact CZ-CB 4.03Å; K193-E387 IonicContact NZ-OE1 3.2Å; K193-E387 PolarHBondContact NZ-OE1 3.1Å; E387-N389 PolarHBondContact O-N 3.01Å; E387-F390 HydrophobicContact CB-CB 4.47Å; E387-F390 VanDerWaalsContact O-CB 3.24Å; E387-F390 WeakPolarHBondContact O-CB 3.04Å; E387-F390 PolarHBondContact O-N 3.39Å | ||
| 388 | M | 97.7 | Very high | 98.3 | Very high | 49 Ų | 49 | 23 Ų | 23 | 24% | 0.241 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -53.5 | -31.7 | -173.3 | -66.8 | -175.3 | -71.3 | 0 | 0 | 114.5 | Q277 L280 L281 K386 F390 Y391 | Q277-M388 HydrophobicContact CG-CB 3.92Å; Q277-M388 VanDerWaalsContact CG-O 3.32Å; Q277-M388 WeakPolarHBondContact CG-O 3.2Å; Q277-M388 PolarHBondContact NE2-O 2.91Å; L280-M388 HydrophobicContact CB-SD 3.96Å; L280-M388 HydrophobicContact CD1-CG 4.19Å; L280-M388 HydrophobicContact CD1-SD 4.13Å; L281-M388 HydrophobicContact CD2-CE 3.9Å; L281-M388 HydrophobicContact CD2-SD 4.45Å; K386-M388 PolarHBondContact O-N 3.49Å; M388-F390 PolarHBondContact O-N 3.47Å; M388-F390 VanDerWaalsContact O-N 3.13Å; M388-Y391 HydrophobicContact CG-CE2 4.17Å; M388-Y391 PolarHBondContact O-N 3Å; M388-Y391 VanDerWaalsContact O-N 3.12Å |
| 389 | N | 97 | Very high | 98.3 | Very high | 91 Ų | 91 | 23.2 Ų | 23.2 | 49% | 0.487 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -64.8 | -14.1 | 175.7 | -72.4 | -4.6 | 0 | 0 | 0 | 113.6 | P135 E387 | P135-N389 HydrophobicContact CG-CB 4.29Å; E387-N389 PolarHBondContact O-N 3.01Å |
| 390 | F | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -90.7 | -16.1 | 176.3 | -167.3 | -109.4 | 0 | 0 | 0 | 113.5 | P135 A184 I187 Y188 F192 L215 M385 E387 M388 T392 V393 L394 | P135-F390 HydrophobicContact CB-CD2 4.12Å; A184-F390 HydrophobicContact CB-CZ 4.24Å; A184-F390 WeakPolarHBondContact O-CE2 3.23Å; A184-F390 WeakPolarHBondContact O-CZ 3.17Å; I187-F390 HydrophobicContact CG2-CE2 4.41Å; Y188-F390 HydrophobicContact CD2-CB 4.24Å; Y188-F390 AromaticContact CD2-CD1 3.5Å; Y188-F390 HydrophobicContact CD2-CD1 3.5Å; Y188-F390 VanDerWaalsContact CD2-CD1 3.5Å; Y188-F390 AromaticContact CD2-CD2 3.97Å; Y188-F390 HydrophobicContact CD2-CD2 3.97Å; Y188-F390 AromaticContact CD2-CE1 3.76Å; Y188-F390 HydrophobicContact CD2-CE1 3.76Å; Y188-F390 HydrophobicContact CD2-CE2 4.21Å; Y188-F390 AromaticContact CD2-CG 3.62Å; Y188-F390 HydrophobicContact CD2-CG 3.62Å; Y188-F390 HydrophobicContact CD2-CZ 4.13Å; Y188-F390 HydrophobicContact CE2-CD1 4.12Å; Y188-F390 HydrophobicContact CE2-CG 4.35Å; Y188-F390 HydrophobicContact CG-CD1 4.34Å; Y188-F390 HydrophobicContact CG-CE1 4.16Å; Y188-F390 HydrophobicContact CG-CE2 4.42Å; Y188-F390 HydrophobicContact CG-CZ 4.22Å; F192-F390 HydrophobicContact CE2-CB 3.84Å; F192-F390 HydrophobicContact CE2-CD2 4.1Å; F192-F390 HydrophobicContact CE2-CG 4.22Å; F192-F390 HydrophobicContact CZ-CB 4.38Å; L215-F390 HydrophobicContact CD2-CE1 3.9Å; L215-F390 HydrophobicContact CD2-CZ 4.08Å; M385-F390 HydrophobicContact SD-CD1 4.12Å; M385-F390 HydrophobicContact SD-CE1 4.49Å; E387-F390 HydrophobicContact CB-CB 4.47Å; E387-F390 VanDerWaalsContact O-CB 3.24Å; E387-F390 WeakPolarHBondContact O-CB 3.04Å; E387-F390 PolarHBondContact O-N 3.39Å; M388-F390 PolarHBondContact O-N 3.47Å; M388-F390 VanDerWaalsContact O-N 3.13Å; F390-T392 VanDerWaalsContact C-N 3.29Å; F390-T392 PolarHBondContact O-N 3.14Å; F390-V393 HydrophobicContact CD2-CB 3.93Å; F390-V393 HydrophobicContact CD2-CG1 4.37Å; F390-V393 HydrophobicContact CD2-CG2 3.93Å; F390-V393 HydrophobicContact CE2-CB 3.73Å; F390-V393 HydrophobicContact CE2-CG1 3.67Å; F390-V393 HydrophobicContact CE2-CG2 4.02Å; F390-V393 HydrophobicContact CG-CB 4.42Å; F390-V393 HydrophobicContact CZ-CB 4.08Å; F390-V393 HydrophobicContact CZ-CG1 3.84Å; F390-V393 WeakPolarHBondContact O-CA 3.3Å; F390-V393 VanDerWaalsContact O-CB 3.26Å; F390-V393 WeakPolarHBondContact O-CB 3.33Å; F390-V393 PolarHBondContact O-N 3.26Å; F390-L394 HydrophobicContact CD1-CD1 4.41Å; F390-L394 HydrophobicContact CD1-CD2 4.29Å; F390-L394 HydrophobicContact CD1-CG 4.03Å; F390-L394 HydrophobicContact CE1-CD2 3.72Å; F390-L394 HydrophobicContact CE1-CG 3.93Å; F390-L394 PolarHBondContact O-N 3.33Å |
| 391 | Y | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -34.6 | -170.2 | -69.2 | 5.1 | 0 | 0 | 0 | 112.9 | N276 L280 L380 Q381 M385 M388 V393 L394 F395 | N276-Y391 WeakPolarHBondContact OD1-CD2 3.36Å; L280-Y391 HydrophobicContact CD1-CD2 4.25Å; L280-Y391 HydrophobicContact CD1-CE2 3.4Å; L380-Y391 HydrophobicContact CB-CE1 4.25Å; L380-Y391 HydrophobicContact CB-CE2 4.37Å; L380-Y391 HydrophobicContact CD1-CD1 3.82Å; L380-Y391 HydrophobicContact CD1-CD2 3.95Å; L380-Y391 HydrophobicContact CD1-CE1 3.85Å; L380-Y391 HydrophobicContact CD1-CE2 3.92Å; L380-Y391 HydrophobicContact CD1-CG 3.89Å; Q381-Y391 VanDerWaalsContact CG-OH 3.31Å; Q381-Y391 WeakPolarHBondContact CG-OH 3.4Å; M385-Y391 HydrophobicContact CG-CE1 3.94Å; M385-Y391 WeakPolarHBondContact O-CE1 3.37Å; M385-Y391 PolarHBondContact O-OH 3.46Å; M388-Y391 HydrophobicContact CG-CE2 4.17Å; M388-Y391 PolarHBondContact O-N 3Å; M388-Y391 VanDerWaalsContact O-N 3.12Å; Y391-V393 PolarHBondContact O-N 3.3Å; Y391-L394 HydrophobicContact CD1-CD1 4.44Å; Y391-L394 WeakPolarHBondContact O-CB 3.46Å; Y391-L394 PolarHBondContact O-N 2.68Å; Y391-F395 PolarHBondContact O-N 2.56Å |
| 392 | T | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.2 | -25.5 | 174 | -44.1 | 0 | 0 | 0 | 0 | 112.3 | M136 L267 G273 Q277 F390 F395 G396 | M136-T392 HydrophobicContact CE-CG2 4.01Å; M136-T392 HydrophobicContact CG-CG2 3.96Å; M136-T392 HydrophobicContact SD-CG2 3.82Å; L267-T392 HydrophobicContact CD2-CG2 4.21Å; L267-T392 HydrophobicContact CG-CG2 3.85Å; G273-T392 PolarHBondContact O-OG1 3.29Å; Q277-T392 PolarHBondContact NE2-OG1 3.01Å; F390-T392 VanDerWaalsContact C-N 3.29Å; F390-T392 PolarHBondContact O-N 3.14Å; T392-F395 PolarHBondContact O-N 3.07Å; T392-G396 PolarHBondContact O-N 3.32Å |
| 393 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.8 | -43.4 | 172.6 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | P135 M136 F139 A184 F390 Y391 F395 G396 V397 | P135-V393 HydrophobicContact CB-CG2 3.82Å; M136-V393 HydrophobicContact CG-CG2 4.23Å; M136-V393 HydrophobicContact SD-CB 4.41Å; M136-V393 HydrophobicContact SD-CG2 3.77Å; F139-V393 HydrophobicContact CD1-CG1 4.16Å; F139-V393 HydrophobicContact CD2-CG1 4.23Å; F139-V393 HydrophobicContact CE1-CG1 4.26Å; F139-V393 HydrophobicContact CE2-CG1 4.34Å; F139-V393 HydrophobicContact CG-CG1 4.13Å; F139-V393 HydrophobicContact CZ-CG1 4.33Å; A184-V393 HydrophobicContact CB-CG1 3.73Å; F390-V393 HydrophobicContact CD2-CB 3.93Å; F390-V393 HydrophobicContact CD2-CG1 4.37Å; F390-V393 HydrophobicContact CD2-CG2 3.93Å; F390-V393 HydrophobicContact CE2-CB 3.73Å; F390-V393 HydrophobicContact CE2-CG1 3.67Å; F390-V393 HydrophobicContact CE2-CG2 4.02Å; F390-V393 HydrophobicContact CG-CB 4.42Å; F390-V393 HydrophobicContact CZ-CB 4.08Å; F390-V393 HydrophobicContact CZ-CG1 3.84Å; F390-V393 WeakPolarHBondContact O-CA 3.3Å; F390-V393 VanDerWaalsContact O-CB 3.26Å; F390-V393 WeakPolarHBondContact O-CB 3.33Å; F390-V393 PolarHBondContact O-N 3.26Å; Y391-V393 PolarHBondContact O-N 3.3Å; V393-F395 VanDerWaalsContact C-N 3.28Å; V393-F395 PolarHBondContact O-N 3.49Å; V393-G396 WeakPolarHBondContact O-CA 3.41Å; V393-G396 PolarHBondContact O-N 3.21Å; V393-G396 VanDerWaalsContact O-N 3.13Å; V393-V397 WeakPolarHBondContact O-CG2 3.44Å; V393-V397 PolarHBondContact O-N 3.43Å |
| 394 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 173.6 | -61.3 | 169.3 | 0 | 0 | 0 | 110.9 | F211 L226 Y229 L380 M385 F390 Y391 G396 V397 S398 | F211-L394 HydrophobicContact CE1-CD2 3.68Å; F211-L394 HydrophobicContact CZ-CD2 3.8Å; L226-L394 HydrophobicContact CD1-CD2 4.5Å; Y229-L394 HydrophobicContact CE1-CB 3.67Å; L380-L394 HydrophobicContact CD1-CD1 3.78Å; L380-L394 HydrophobicContact CD2-CD1 4.33Å; M385-L394 HydrophobicContact CE-CD1 3.31Å; M385-L394 HydrophobicContact CE-CD2 4.25Å; M385-L394 HydrophobicContact CE-CG 4.38Å; M385-L394 HydrophobicContact SD-CD1 3.93Å; F390-L394 HydrophobicContact CD1-CD1 4.41Å; F390-L394 HydrophobicContact CD1-CD2 4.29Å; F390-L394 HydrophobicContact CD1-CG 4.03Å; F390-L394 HydrophobicContact CE1-CD2 3.72Å; F390-L394 HydrophobicContact CE1-CG 3.93Å; F390-L394 PolarHBondContact O-N 3.33Å; Y391-L394 HydrophobicContact CD1-CD1 4.44Å; Y391-L394 WeakPolarHBondContact O-CB 3.46Å; Y391-L394 PolarHBondContact O-N 2.68Å; L394-G396 VanDerWaalsContact C-N 3.32Å; L394-G396 PolarHBondContact O-N 3.04Å; L394-V397 PolarHBondContact O-N 3.19Å; L394-S398 PolarHBondContact O-N 3.36Å |
| 395 | F | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 16.4 Ų | 16.4 | 8% | 0.079 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.9 | -170.5 | -173.8 | 0 | 0 | 0 | 110.7 | Y229 H233 L267 Y391 T392 V393 V397 S398 R399 | Y229-F395 WeakPolarHBondContact OH-CA 3.49Å; Y229-F395 PolarHBondContact OH-N 2.99Å; H233-F395 HydrophobicContact CB-CD2 3.85Å; H233-F395 HydrophobicContact CB-CE2 3.92Å; L267-F395 HydrophobicContact CD1-CD1 3.84Å; L267-F395 HydrophobicContact CD1-CE1 3.81Å; L267-F395 HydrophobicContact CD1-CG 4.47Å; L267-F395 HydrophobicContact CD1-CZ 4.41Å; L267-F395 HydrophobicContact CD2-CB 4.42Å; L267-F395 HydrophobicContact CD2-CD1 4.39Å; L267-F395 HydrophobicContact CD2-CG 4.31Å; L267-F395 HydrophobicContact CG-CD1 4.49Å; Y391-F395 PolarHBondContact O-N 2.56Å; T392-F395 PolarHBondContact O-N 3.07Å; V393-F395 VanDerWaalsContact C-N 3.28Å; V393-F395 PolarHBondContact O-N 3.49Å; F395-V397 PolarHBondContact O-N 3.02Å; F395-S398 PolarHBondContact O-N 3.17Å; F395-R399 HydrophobicContact CD2-CB 4.43Å; F395-R399 HydrophobicContact CE2-CB 4.5Å; F395-R399 VanDerWaalsContact O-CB 3.27Å; F395-R399 WeakPolarHBondContact O-CB 3.43Å; F395-R399 PolarHBondContact O-N 3.2Å |
| 396 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.3 | -49.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F260 M264 T392 V393 L394 S398 R399 A400 | F260-G396 WeakPolarHBondContact CZ-O 3.39Å; M264-G396 WeakPolarHBondContact SD-CA 3.19Å; T392-G396 PolarHBondContact O-N 3.32Å; V393-G396 WeakPolarHBondContact O-CA 3.41Å; V393-G396 PolarHBondContact O-N 3.21Å; V393-G396 VanDerWaalsContact O-N 3.13Å; L394-G396 VanDerWaalsContact C-N 3.32Å; L394-G396 PolarHBondContact O-N 3.04Å; G396-S398 VanDerWaalsContact C-N 3.33Å; G396-S398 PolarHBondContact O-N 2.93Å; G396-R399 PolarHBondContact O-N 3Å; G396-A400 PolarHBondContact O-N 3.13Å |
| 397 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | F139 L180 T181 A184 W207 F211 L230 V393 L394 F395 A400 | F139-V397 HydrophobicContact CZ-CG2 3.95Å; L180-V397 HydrophobicContact CB-CG2 4.4Å; T181-V397 HydrophobicContact CG2-CG1 3.99Å; A184-V397 HydrophobicContact CB-CG2 3.79Å; W207-V397 HydrophobicContact CH2-CG1 3.37Å; W207-V397 HydrophobicContact CZ2-CG1 3.81Å; W207-V397 HydrophobicContact CZ3-CG1 4.12Å; F211-V397 HydrophobicContact CD1-CG1 4.43Å; F211-V397 HydrophobicContact CE1-CB 4.44Å; F211-V397 HydrophobicContact CE1-CG1 4.05Å; F211-V397 HydrophobicContact CE1-CG2 4.36Å; F211-V397 HydrophobicContact CZ-CG2 4.26Å; L230-V397 HydrophobicContact CD2-CB 4.43Å; L230-V397 HydrophobicContact CD2-CG1 3.86Å; V393-V397 WeakPolarHBondContact O-CG2 3.44Å; V393-V397 PolarHBondContact O-N 3.43Å; L394-V397 PolarHBondContact O-N 3.19Å; F395-V397 PolarHBondContact O-N 3.02Å; V397-A400 WeakPolarHBondContact O-CB 3.26Å |
| 398 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.2 | -50 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 112 | L230 H233 C234 L394 F395 G396 A400 L401 | L230-S398 PolarHBondContact O-OG 3.27Å; H233-S398 WeakPolarHBondContact CA-OG 3.43Å; H233-S398 VanDerWaalsContact CB-OG 3.24Å; H233-S398 WeakPolarHBondContact CB-OG 3.37Å; H233-S398 PolarHBondContact O-OG 3.14Å; C234-S398 WeakPolarHBondContact CA-O 3.39Å; C234-S398 WeakPolarHBondContact CA-OG 3.23Å; C234-S398 PolarHBondContact N-OG 3.31Å; L394-S398 PolarHBondContact O-N 3.36Å; F395-S398 PolarHBondContact O-N 3.17Å; G396-S398 VanDerWaalsContact C-N 3.33Å; G396-S398 PolarHBondContact O-N 2.93Å; S398-A400 PolarHBondContact O-N 3.18Å; S398-A400 VanDerWaalsContact O-N 3.12Å; S398-L401 WeakPolarHBondContact O-CB 3.41Å; S398-L401 WeakPolarHBondContact O-CG 3.34Å; S398-L401 PolarHBondContact O-N 3.37Å |
| 399 | R | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 6.1 Ų | 6.1 | 2% | 0.019 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -59.9 | -27.1 | -175.3 | -177.3 | 53.2 | 58.5 | 86.7 | -11.7 | 113 | H233 C234 N240 S242 F395 G396 L401 G402 V403 | H233-R399 PolarHBondContact O-NE 3.39Å; C234-R399 WeakPolarHBondContact O-CA 3.4Å; N240-R399 PolarHBondContact OD1-NH1 2.68Å; S242-R399 PolarHBondContact OG-NH1 3.34Å; F395-R399 HydrophobicContact CD2-CB 4.43Å; F395-R399 HydrophobicContact CE2-CB 4.5Å; F395-R399 VanDerWaalsContact O-CB 3.27Å; F395-R399 WeakPolarHBondContact O-CB 3.43Å; F395-R399 PolarHBondContact O-N 3.2Å; G396-R399 PolarHBondContact O-N 3Å; R399-L401 PolarHBondContact O-N 3.29Å; R399-G402 PolarHBondContact O-N 3.36Å; R399-V403 HydrophobicContact CG-CG1 3.97Å; R399-V403 WeakPolarHBondContact O-CG2 3.44Å; R399-V403 PolarHBondContact O-N 3.29Å; R399-V403 VanDerWaalsContact O-N 3.16Å |
| 400 | A | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -51.7 | -38 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I177 L180 F260 G396 V397 S398 G402 M404 | I177-A400 HydrophobicContact CG1-CB 4.34Å; L180-A400 HydrophobicContact CD1-CB 3.24Å; F260-A400 HydrophobicContact CE1-CB 4.28Å; F260-A400 HydrophobicContact CE2-CB 3.7Å; F260-A400 HydrophobicContact CZ-CB 3.56Å; G396-A400 PolarHBondContact O-N 3.13Å; V397-A400 WeakPolarHBondContact O-CB 3.26Å; S398-A400 PolarHBondContact O-N 3.18Å; S398-A400 VanDerWaalsContact O-N 3.12Å; A400-G402 PolarHBondContact O-N 3.08Å; A400-M404 WeakPolarHBondContact O-CB 3.46Å; A400-M404 WeakPolarHBondContact O-CG 3.39Å; A400-M404 PolarHBondContact O-N 3.11Å |
| 401 | L | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -60.3 | -46.9 | -177.8 | -57.5 | 177.7 | 0 | 0 | 0 | 111.6 | A87 I90 F91 L94 I177 W207 C234 S398 R399 A405 | A87-L401 HydrophobicContact CB-CD1 4.08Å; I90-L401 HydrophobicContact CG2-CD1 3.98Å; F91-L401 HydrophobicContact CB-CD2 4.2Å; F91-L401 HydrophobicContact CD2-CB 4.16Å; F91-L401 HydrophobicContact CD2-CD2 4.09Å; F91-L401 WeakPolarHBondContact CD2-O 3.29Å; F91-L401 WeakPolarHBondContact CE2-O 3.46Å; F91-L401 HydrophobicContact CG-CD2 4.35Å; L94-L401 HydrophobicContact CD1-CB 4.47Å; I177-L401 HydrophobicContact CD1-CD2 4.27Å; I177-L401 HydrophobicContact CG1-CD2 4.48Å; I177-L401 HydrophobicContact CG2-CD2 3.79Å; W207-L401 HydrophobicContact CH2-CD2 4.16Å; W207-L401 HydrophobicContact CZ3-CD1 4.19Å; W207-L401 HydrophobicContact CZ3-CD2 4.07Å; W207-L401 HydrophobicContact CZ3-CG 4.35Å; C234-L401 HydrophobicContact CB-CB 4.02Å; C234-L401 HydrophobicContact CB-CD1 4.12Å; S398-L401 WeakPolarHBondContact O-CB 3.41Å; S398-L401 WeakPolarHBondContact O-CG 3.34Å; S398-L401 PolarHBondContact O-N 3.37Å; R399-L401 PolarHBondContact O-N 3.29Å; L401-A405 VanDerWaalsContact O-CB 3.26Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 2.92Å |
| 402 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -69.6 | -53.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | C234 R399 A400 M404 A405 Q406 | C234-G402 VanDerWaalsContact O-CA 3.25Å; C234-G402 WeakPolarHBondContact O-CA 3.48Å; C234-G402 PolarHBondContact O-N 3.43Å; R399-G402 PolarHBondContact O-N 3.36Å; A400-G402 PolarHBondContact O-N 3.08Å; G402-M404 VanDerWaalsContact C-N 3.31Å; G402-M404 PolarHBondContact O-N 3.43Å; G402-A405 PolarHBondContact O-N 3.48Å; G402-Q406 PolarHBondContact O-N 3.4Å |
| 403 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 4.3 Ų | 4.3 | 1% | 0.006 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -67.7 | -32.2 | -173.4 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | W52 A243 C246 F260 R399 L407 | W52-V403 HydrophobicContact CH2-CB 4.18Å; W52-V403 HydrophobicContact CH2-CG1 3.95Å; W52-V403 HydrophobicContact CZ2-CG1 4.14Å; A243-V403 HydrophobicContact CB-CG1 4Å; C246-V403 HydrophobicContact CB-CB 4.11Å; C246-V403 HydrophobicContact CB-CG1 4.47Å; C246-V403 HydrophobicContact CB-CG2 4.49Å; F260-V403 HydrophobicContact CD2-CG2 3.67Å; F260-V403 HydrophobicContact CE2-CG2 3.77Å; R399-V403 HydrophobicContact CG-CG1 3.97Å; R399-V403 WeakPolarHBondContact O-CG2 3.44Å; R399-V403 PolarHBondContact O-N 3.29Å; R399-V403 VanDerWaalsContact O-N 3.16Å; V403-L407 VanDerWaalsContact O-CB 3.28Å; V403-L407 WeakPolarHBondContact O-CB 3.46Å; V403-L407 PolarHBondContact O-N 2.82Å |
| 404 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -73.5 | -41.3 | 174.7 | -67.9 | -59.9 | 101.5 | 0 | 0 | 112.2 | F91 A173 L176 I177 C246 P256 F260 A400 G402 Q406 L407 I408 | F91-M404 HydrophobicContact CE2-CB 4.49Å; A173-M404 HydrophobicContact CB-CB 3.94Å; A173-M404 HydrophobicContact CB-CG 4.32Å; A173-M404 HydrophobicContact CB-SD 4.16Å; L176-M404 HydrophobicContact CD2-CE 4.42Å; L176-M404 HydrophobicContact CD2-CG 4.44Å; L176-M404 HydrophobicContact CD2-SD 3.75Å; I177-M404 HydrophobicContact CD1-CB 3.93Å; I177-M404 HydrophobicContact CD1-CG 4.21Å; I177-M404 HydrophobicContact CG1-CB 4.47Å; I177-M404 HydrophobicContact CG1-CG 4.2Å; C246-M404 VanDerWaalsContact SG-CE 3.55Å; P256-M404 HydrophobicContact CB-SD 3.8Å; F260-M404 HydrophobicContact CB-CE 3.94Å; F260-M404 HydrophobicContact CD2-CE 4.03Å; F260-M404 HydrophobicContact CG-CE 4.32Å; A400-M404 WeakPolarHBondContact O-CB 3.46Å; A400-M404 WeakPolarHBondContact O-CG 3.39Å; A400-M404 PolarHBondContact O-N 3.11Å; G402-M404 VanDerWaalsContact C-N 3.31Å; G402-M404 PolarHBondContact O-N 3.43Å; M404-Q406 VanDerWaalsContact C-N 3.28Å; M404-Q406 PolarHBondContact O-N 2.99Å; M404-L407 HydrophobicContact CE-CD2 3.93Å; M404-L407 PolarHBondContact O-N 3.3Å; M404-L407 VanDerWaalsContact O-N 3.17Å; M404-L407 HydrophobicContact SD-CD2 4.34Å; M404-I408 VanDerWaalsContact O-CG1 3.31Å; M404-I408 WeakPolarHBondContact O-CG1 3.5Å; M404-I408 PolarHBondContact O-N 3.47Å |
| 405 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T54 F91 L94 L401 G402 I408 W409 | T54-A405 HydrophobicContact CG2-CB 3.88Å; F91-A405 HydrophobicContact CD2-CB 4.49Å; F91-A405 HydrophobicContact CE2-CB 4.08Å; L94-A405 HydrophobicContact CB-CB 3.78Å; L401-A405 VanDerWaalsContact O-CB 3.26Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 2.92Å; G402-A405 PolarHBondContact O-N 3.48Å; A405-I408 PolarHBondContact O-N 2.9Å; A405-W409 PolarHBondContact O-N 2.88Å |
| 406 | Q | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 175.7 | 179.7 | 59.9 | 40.9 | 0 | 0 | 113 | W52 T54 G402 M404 I408 W409 S410 | W52-Q406 HydrophobicContact CD2-CB 4.19Å; W52-Q406 HydrophobicContact CD2-CG 3.66Å; W52-Q406 HydrophobicContact CE3-CB 4.29Å; W52-Q406 HydrophobicContact CE3-CG 3.48Å; W52-Q406 VanDerWaalsContact CE3-CG 3.48Å; W52-Q406 HydrophobicContact CG-CG 4.44Å; W52-Q406 HydrophobicContact CH2-CB 3.61Å; W52-Q406 HydrophobicContact CH2-CG 3.63Å; W52-Q406 HydrophobicContact CZ2-CB 3.53Å; W52-Q406 HydrophobicContact CZ2-CG 3.84Å; W52-Q406 HydrophobicContact CZ3-CB 4.03Å; W52-Q406 HydrophobicContact CZ3-CG 3.47Å; W52-Q406 VanDerWaalsContact CZ3-CG 3.47Å; T54-Q406 HydrophobicContact CG2-CB 4.12Å; G402-Q406 PolarHBondContact O-N 3.4Å; M404-Q406 VanDerWaalsContact C-N 3.28Å; M404-Q406 PolarHBondContact O-N 2.99Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 PolarHBondContact O-N 2.79Å; Q406-W409 CarbonylContact O-C 3.41Å; Q406-W409 PolarHBondContact O-N 3.5Å; Q406-S410 PolarHBondContact NE2-OG 3.48Å; Q406-S410 VanDerWaalsContact NE2-OG 3.13Å; Q406-S410 WeakPolarHBondContact O-CB 3.17Å; Q406-S410 PolarHBondContact O-N 3.36Å; Q406-S410 PolarHBondContact O-OG 2.89Å |
| 407 | L | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 179.5 | -173.8 | 61.2 | 0 | 0 | 0 | 111.6 | V169 P256 A259 V403 M404 S410 R411 | V169-L407 HydrophobicContact CG1-CD2 4.43Å; V169-L407 HydrophobicContact CG1-CG 4.03Å; P256-L407 HydrophobicContact CB-CD2 4Å; P256-L407 HydrophobicContact CG-CD2 3.94Å; A259-L407 HydrophobicContact CB-CD2 4.24Å; V403-L407 VanDerWaalsContact O-CB 3.28Å; V403-L407 WeakPolarHBondContact O-CB 3.46Å; V403-L407 PolarHBondContact O-N 2.82Å; M404-L407 HydrophobicContact CE-CD2 3.93Å; M404-L407 PolarHBondContact O-N 3.3Å; M404-L407 VanDerWaalsContact O-N 3.17Å; M404-L407 HydrophobicContact SD-CD2 4.34Å; L407-S410 PolarHBondContact O-N 2.95Å; L407-R411 PolarHBondContact O-N 3.44Å; L407-R411 VanDerWaalsContact O-N 3.14Å |
| 408 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.3 | -50.6 | 172.1 | -61.8 | 159 | 0 | 0 | 0 | 110 | M9 F91 W166 V169 Y170 A173 M404 A405 Q406 S410 R411 A412 | M9-I408 HydrophobicContact CE-CB 4.21Å; M9-I408 HydrophobicContact CE-CG2 3.38Å; M9-I408 HydrophobicContact SD-CG2 4.31Å; F91-I408 HydrophobicContact CZ-CD1 4.43Å; W166-I408 HydrophobicContact CE3-CG2 4.16Å; V169-I408 HydrophobicContact CG1-CG1 4.11Å; Y170-I408 HydrophobicContact CD2-CD1 4.08Å; A173-I408 HydrophobicContact CB-CD1 3.86Å; A173-I408 HydrophobicContact CB-CG1 4.07Å; M404-I408 VanDerWaalsContact O-CG1 3.31Å; M404-I408 WeakPolarHBondContact O-CG1 3.5Å; M404-I408 PolarHBondContact O-N 3.47Å; A405-I408 PolarHBondContact O-N 2.9Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 PolarHBondContact O-N 2.79Å; I408-S410 VanDerWaalsContact C-N 3.31Å; I408-S410 PolarHBondContact O-N 2.84Å; I408-R411 PolarHBondContact O-N 3.13Å; I408-A412 WeakPolarHBondContact O-CB 3.32Å; I408-A412 PolarHBondContact O-N 2.81Å |
| 409 | W | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 177.2 | -85.3 | 102 | 0 | 0 | 0 | 113.2 | K12 I13 H16 R66 C95 A405 Q406 R411 A412 L413 | K12-W409 HydrophobicContact CB-CH2 4.18Å; K12-W409 HydrophobicContact CB-CZ2 4.26Å; I13-W409 HydrophobicContact CG1-CE3 4.44Å; I13-W409 HydrophobicContact CG1-CH2 4.02Å; I13-W409 HydrophobicContact CG1-CZ3 3.95Å; H16-W409 HydrophobicContact CB-CH2 3.81Å; H16-W409 HydrophobicContact CB-CZ3 3.75Å; H16-W409 AromaticContact CD2-CZ3 3.59Å; H16-W409 AromaticContact CG-CZ3 3.98Å; R66-W409 VanDerWaalsContact NH2-CD1 3.3Å; C95-W409 PolarHBondContact O-NE1 3.42Å; A405-W409 PolarHBondContact O-N 2.88Å; Q406-W409 CarbonylContact O-C 3.41Å; Q406-W409 PolarHBondContact O-N 3.5Å; W409-R411 VanDerWaalsContact C-N 3.28Å; W409-R411 PolarHBondContact O-N 3.1Å; W409-A412 HydrophobicContact CE3-CB 4.46Å; W409-A412 PolarHBondContact O-N 3.15Å; W409-L413 HydrophobicContact CE3-CD1 4.38Å; W409-L413 HydrophobicContact CE3-CD2 4.49Å; W409-L413 HydrophobicContact CE3-CG 4.15Å; W409-L413 WeakPolarHBondContact O-CB 3.1Å; W409-L413 WeakPolarHBondContact O-CG 3.47Å; W409-L413 PolarHBondContact O-N 3.4Å |
| 410 | S | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -35.9 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | Q406 L407 I408 G414 L415 | Q406-S410 PolarHBondContact NE2-OG 3.48Å; Q406-S410 VanDerWaalsContact NE2-OG 3.13Å; Q406-S410 WeakPolarHBondContact O-CB 3.17Å; Q406-S410 PolarHBondContact O-N 3.36Å; Q406-S410 PolarHBondContact O-OG 2.89Å; L407-S410 PolarHBondContact O-N 2.95Å; I408-S410 VanDerWaalsContact C-N 3.31Å; I408-S410 PolarHBondContact O-N 2.84Å; S410-G414 PolarHBondContact O-N 3.2Å; S410-L415 WeakPolarHBondContact O-CB 3.46Å; S410-L415 PolarHBondContact O-N 2.95Å |
| 411 | R | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -76.5 | -41.4 | 171.7 | -66.6 | -57.8 | 84.3 | 81.7 | -5.3 | 112.8 | W166 V169 G250 L407 I408 W409 L413 G414 | W166-R411 HydrophobicContact CB-CB 4.04Å; V169-R411 HydrophobicContact CB-CG 4.16Å; V169-R411 HydrophobicContact CG1-CG 4.19Å; V169-R411 HydrophobicContact CG2-CG 3.74Å; G250-R411 VanDerWaalsContact O-CZ 3.27Å; G250-R411 PolarHBondContact O-NH1 2.97Å; G250-R411 PolarHBondContact O-NH2 3.32Å; L407-R411 PolarHBondContact O-N 3.44Å; L407-R411 VanDerWaalsContact O-N 3.14Å; I408-R411 PolarHBondContact O-N 3.13Å; W409-R411 VanDerWaalsContact C-N 3.28Å; W409-R411 PolarHBondContact O-N 3.1Å; R411-L413 VanDerWaalsContact C-N 3.32Å; R411-L413 PolarHBondContact O-N 3.08Å; R411-G414 WeakPolarHBondContact O-CA 3.49Å; R411-G414 PolarHBondContact O-N 3.47Å |
| 412 | A | 98.5 | Very high | 98.4 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I13 W166 I408 W409 G414 | I13-A412 HydrophobicContact CB-CB 4.43Å; I13-A412 HydrophobicContact CD1-CB 3.59Å; I13-A412 HydrophobicContact CG1-CB 3.7Å; I13-A412 HydrophobicContact CG2-CB 3.86Å; W166-A412 HydrophobicContact CB-CB 3.81Å; W166-A412 HydrophobicContact CG-CB 4.06Å; I408-A412 WeakPolarHBondContact O-CB 3.32Å; I408-A412 PolarHBondContact O-N 2.81Å; W409-A412 HydrophobicContact CE3-CB 4.46Å; W409-A412 PolarHBondContact O-N 3.15Å; A412-G414 PolarHBondContact O-N 3.24Å |
| 413 | L | 98 | Very high | 98.4 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4 | 175.1 | -66.4 | 177.6 | 0 | 0 | 0 | 113.4 | V20 L51 W409 R411 L415 | V20-L413 HydrophobicContact CG2-CD2 4.18Å; L51-L413 HydrophobicContact CD2-CD1 4.19Å; W409-L413 HydrophobicContact CE3-CD1 4.38Å; W409-L413 HydrophobicContact CE3-CD2 4.49Å; W409-L413 HydrophobicContact CE3-CG 4.15Å; W409-L413 WeakPolarHBondContact O-CB 3.1Å; W409-L413 WeakPolarHBondContact O-CG 3.47Å; W409-L413 PolarHBondContact O-N 3.4Å; R411-L413 VanDerWaalsContact C-N 3.32Å; R411-L413 PolarHBondContact O-N 3.08Å; L413-L415 VanDerWaalsContact C-N 3.26Å; L413-L415 HydrophobicContact CB-CD2 4.02Å; L413-L415 HydrophobicContact CB-CG 4.14Å; L413-L415 PolarHBondContact O-N 3.32Å |
| 414 | G | 97.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 24% | 0.237 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 32.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K162 S410 R411 A412 | K162-G414 PolarHBondContact NZ-O 3.36Å; S410-G414 PolarHBondContact O-N 3.2Å; R411-G414 WeakPolarHBondContact O-CA 3.49Å; R411-G414 PolarHBondContact O-N 3.47Å; A412-G414 PolarHBondContact O-N 3.24Å |
| 415 | L | 98.1 | Very high | 98.3 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | trans | -54.8 | 136.5 | -179.1 | -60.8 | -173 | 0 | 0 | 0 | 110.4 | L51 S410 L413 | L51-L415 HydrophobicContact CD2-CD2 4.32Å; S410-L415 WeakPolarHBondContact O-CB 3.46Å; S410-L415 PolarHBondContact O-N 2.95Å; L413-L415 VanDerWaalsContact C-N 3.26Å; L413-L415 HydrophobicContact CB-CD2 4.02Å; L413-L415 HydrophobicContact CB-CG 4.14Å; L413-L415 PolarHBondContact O-N 3.32Å | ||
| 416 | P | 98.1 | Very high | 98.3 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | trans | -75.7 | 175.5 | -173.9 | 34.2 | -37.1 | 0 | 0 | 0 | 112 | E418 | P416-E418 PolarHBondContact O-N 2.97Š| ||
| 417 | L | 98.7 | Very high | 98.2 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | trans | -54.7 | 127.9 | 165 | 175.8 | 66.8 | 0 | 0 | 0 | 110.1 | S251 A252 R419 | S251-L417 WeakPolarHBondContact O-CA 3.22Å; A252-L417 HydrophobicContact CB-CD1 4Å; L417-R419 HydrophobicContact CG-CB 4.45Å; L417-R419 PolarHBondContact O-N 3.05Å | ||
| 418 | E | 98.7 | Very high | 98.2 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | trans | -74.7 | 122.1 | 169.9 | -172.8 | -178.1 | 124.4 | 0 | 0 | 109.2 | H244 H247 L248 S251 P416 | H244-E418 IonicContact CD2-OE1 3.18Å; H244-E418 IonicContact CD2-OE2 3.21Å; H244-E418 IonicContact CE1-OE1 2.77Å; H244-E418 VanDerWaalsContact NE2-CD 3.34Å; H244-E418 IonicContact NE2-OE1 3.23Å; H244-E418 PolarHBondContact NE2-OE1 3.5Å; H244-E418 IonicContact NE2-OE2 3.45Å; H244-E418 PolarHBondContact NE2-OE2 3.31Å; H247-E418 IonicContact CD2-OE2 3.78Å; H247-E418 PolarHBondContact CD2-OE2 3.1Å; H247-E418 VanDerWaalsContact CD2-OE2 3.31Å; H247-E418 IonicContact NE2-OE2 2.87Å; L248-E418 HydrophobicContact CD1-CB 3.89Å; L248-E418 HydrophobicContact CD1-CG 4.17Å; S251-E418 PolarHBondContact OG-N 2.93Å; P416-E418 PolarHBondContact O-N 2.97Å | ||
| 419 | R | 98.2 | Very high | 98.1 | Very high | 211 Ų | 211 | 69.4 Ų | 69.4 | 80% | 0.796 | 37% | 0.372 | S | S | * | . | trans | -150.1 | 68.5 | -173.7 | -165.5 | 177.1 | 66.3 | -178 | -0.1 | 111.9 | L417 | L417-R419 HydrophobicContact CG-CB 4.45Å; L417-R419 PolarHBondContact O-N 3.05Å | ||
| 420 | P | 97.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 73 Ų | 73 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 151.1 | 175.5 | 28.1 | -35.7 | 0 | 0 | 0 | 110.9 | M44 | M44-P420 HydrophobicContact CE-CB 4.32Å; M44-P420 HydrophobicContact CE-CG 4.35Å |
| 421 | K | 97.4 | Very high | 97.9 | Very high | 188 Ų | 188 | 79 Ų | 79 | 82% | 0.817 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -86.6 | 125.8 | 174.6 | -178.6 | 62.9 | 177.8 | 179.6 | 0 | 109.3 | ||
| 422 | S | 97.7 | Very high | 97.8 | Very high | 102 Ų | 102 | 82.8 Ų | 82.8 | 71% | 0.713 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -85 | 154.9 | 168.4 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 423 | M | 97.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 85.2 Ų | 85.2 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | trans | -135.5 | 147.2 | 174.9 | -61.6 | -178.6 | 76.2 | 0 | 0 | 109.2 | N427 L428 L431 | M423-N427 WeakPolarHBondContact CE-OD1 3.22Å; M423-L428 HydrophobicContact CB-CD2 4.02Å; M423-L428 HydrophobicContact CB-CG 4Å; M423-L428 HydrophobicContact CE-CD2 3.85Å; M423-L428 HydrophobicContact CG-CD2 4.46Å; M423-L428 HydrophobicContact SD-CD2 3.65Å; M423-L431 HydrophobicContact CE-CD2 4.2Å | ||
| 424 | T | 98.2 | Very high | 97.1 | Very high | 89 Ų | 89 | 92.8 Ų | 92.8 | 55% | 0.546 | 51% | 0.511 | S | S | . | . | trans | -86 | 162.2 | 171.3 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | D426 N427 L428 | T424-D426 VanDerWaalsContact C-N 3.32Å; T424-D426 PolarHBondContact O-N 2.95Å; T424-N427 PolarHBondContact O-N 3.11Å; T424-N427 VanDerWaalsContact O-N 3.15Å; T424-N427 WeakPolarHBondContact OG1-CB 3.39Å; T424-N427 PolarHBondContact OG1-N 3.22Å; T424-L428 WeakPolarHBondContact O-CG 3.41Å; T424-L428 PolarHBondContact O-N 3.02Å | ||
| 425 | T | 98.6 | Very high | 97 | Very high | 71 Ų | 71 | 96.3 Ų | 96.3 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -53.7 | -47.7 | 173.1 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | Y41 N427 L428 M429 | Y41-T425 WeakPolarHBondContact OH-CB 3.31Å; Y41-T425 WeakPolarHBondContact OH-CG2 3.39Å; Y41-T425 PolarHBondContact OH-OG1 3.26Å; T425-N427 VanDerWaalsContact C-N 3.27Å; T425-N427 PolarHBondContact O-N 3.2Å; T425-L428 WeakPolarHBondContact O-CB 3.33Å; T425-L428 PolarHBondContact O-N 3.21Å; T425-L428 VanDerWaalsContact O-N 3.11Å; T425-M429 HydrophobicContact CG2-CG 4.37Å; T425-M429 HydrophobicContact CG2-SD 4.12Å; T425-M429 WeakPolarHBondContact O-CG 3.42Å; T425-M429 PolarHBondContact O-N 3.06Å |
| 426 | D | 98.2 | Very high | 97 | Very high | 122 Ų | 122 | 99.6 Ų | 99.6 | 65% | 0.652 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60 | -38.5 | 179.1 | -57.7 | -24 | 0 | 0 | 0 | 112.1 | T424 M429 S430 | T424-D426 VanDerWaalsContact C-N 3.32Å; T424-D426 PolarHBondContact O-N 2.95Å; D426-M429 PolarHBondContact O-N 3.11Å; D426-S430 VanDerWaalsContact O-CB 3.31Å; D426-S430 WeakPolarHBondContact O-CB 3.29Å; D426-S430 PolarHBondContact O-N 3.5Å |
| 427 | N | 97.3 | Very high | 96.9 | Very high | 78 Ų | 78 | 99.8 Ų | 99.8 | 42% | 0.417 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.1 | -36.8 | 177.8 | -171.2 | -122.7 | 0 | 0 | 0 | 111.9 | M423 T424 T425 L431 | M423-N427 WeakPolarHBondContact CE-OD1 3.22Å; T424-N427 PolarHBondContact O-N 3.11Å; T424-N427 VanDerWaalsContact O-N 3.15Å; T424-N427 WeakPolarHBondContact OG1-CB 3.39Å; T424-N427 PolarHBondContact OG1-N 3.22Å; T425-N427 VanDerWaalsContact C-N 3.27Å; T425-N427 PolarHBondContact O-N 3.2Å; N427-L431 WeakPolarHBondContact O-CB 3.31Å; N427-L431 PolarHBondContact O-N 2.87Å |
| 428 | L | 97.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 100.2 Ų | 100.2 | 5% | 0.052 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 172.9 | -69.5 | 171.6 | 0 | 0 | 0 | 112 | V40 Y41 M423 T424 T425 L431 V432 | V40-L428 HydrophobicContact CG1-CD1 4.36Å; Y41-L428 HydrophobicContact CE2-CD1 3.94Å; M423-L428 HydrophobicContact CB-CD2 4.02Å; M423-L428 HydrophobicContact CB-CG 4Å; M423-L428 HydrophobicContact CE-CD2 3.85Å; M423-L428 HydrophobicContact CG-CD2 4.46Å; M423-L428 HydrophobicContact SD-CD2 3.65Å; T424-L428 WeakPolarHBondContact O-CG 3.41Å; T424-L428 PolarHBondContact O-N 3.02Å; T425-L428 WeakPolarHBondContact O-CB 3.33Å; T425-L428 PolarHBondContact O-N 3.21Å; T425-L428 VanDerWaalsContact O-N 3.11Å; L428-L431 WeakPolarHBondContact O-CB 3.41Å; L428-L431 PolarHBondContact O-N 3.16Å; L428-V432 PolarHBondContact O-N 3.31Å |
| 429 | M | 98.2 | Very high | 96.7 | Very high | 83 Ų | 83 | 103.7 Ų | 103.7 | 41% | 0.409 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60 | -50.5 | 173.9 | -74.9 | 180 | 64.6 | 0 | 0 | 110.6 | T425 D426 L431 V432 G433 K434 | T425-M429 HydrophobicContact CG2-CG 4.37Å; T425-M429 HydrophobicContact CG2-SD 4.12Å; T425-M429 WeakPolarHBondContact O-CG 3.42Å; T425-M429 PolarHBondContact O-N 3.06Å; D426-M429 PolarHBondContact O-N 3.11Å; M429-L431 VanDerWaalsContact C-N 3.27Å; M429-L431 PolarHBondContact O-N 3.4Å; M429-V432 CarbonylContact O-C 3.49Å; M429-V432 VanDerWaalsContact O-CG2 3.27Å; M429-V432 WeakPolarHBondContact O-CG2 3.36Å; M429-V432 PolarHBondContact O-N 2.94Å; M429-G433 PolarHBondContact O-N 3.37Å; M429-G433 VanDerWaalsContact O-N 3.11Å; M429-K434 HydrophobicContact CB-CB 3.93Å; M429-K434 HydrophobicContact CE-CB 3.96Å; M429-K434 HydrophobicContact CG-CB 4.35Å; M429-K434 PolarHBondContact O-N 2.72Å; M429-K434 VanDerWaalsContact O-OXT 3.09Å |
| 430 | S | 97.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 96.5 Ų | 96.5 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.2 | -39.3 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | D426 V432 G433 K434 | D426-S430 VanDerWaalsContact O-CB 3.31Å; D426-S430 WeakPolarHBondContact O-CB 3.29Å; D426-S430 PolarHBondContact O-N 3.5Å; S430-V432 PolarHBondContact O-N 3.29Å; S430-G433 PolarHBondContact O-N 3.16Å; S430-G433 VanDerWaalsContact O-N 3.14Å; S430-K434 WeakPolarHBondContact CA-OXT 3.44Å; S430-K434 PolarHBondContact N-OXT 3.3Å |
| 431 | L | 95.4 | Very high | 96.5 | Very high | 127 Ų | 127 | 97.6 Ų | 97.6 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.9 | -31.8 | 176.9 | -170.3 | 74.9 | 0 | 0 | 0 | 112.8 | M423 N427 L428 M429 | M423-L431 HydrophobicContact CE-CD2 4.2Å; N427-L431 WeakPolarHBondContact O-CB 3.31Å; N427-L431 PolarHBondContact O-N 2.87Å; L428-L431 WeakPolarHBondContact O-CB 3.41Å; L428-L431 PolarHBondContact O-N 3.16Å; M429-L431 VanDerWaalsContact C-N 3.27Å; M429-L431 PolarHBondContact O-N 3.4Å |
| 432 | V | 96.5 | Very high | 96.5 | Very high | 86 Ų | 86 | 90.7 Ų | 90.7 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 13.2 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | I37 L428 M429 S430 K434 | I37-V432 HydrophobicContact CD1-CG1 3.91Å; L428-V432 PolarHBondContact O-N 3.31Å; M429-V432 CarbonylContact O-C 3.49Å; M429-V432 VanDerWaalsContact O-CG2 3.27Å; M429-V432 WeakPolarHBondContact O-CG2 3.36Å; M429-V432 PolarHBondContact O-N 2.94Å; S430-V432 PolarHBondContact O-N 3.29Å; V432-K434 HydrophobicContact CG2-CG 4.08Å |
| 433 | G | 94.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 89.8 Ų | 89.8 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M429 S430 | M429-G433 PolarHBondContact O-N 3.37Å; M429-G433 VanDerWaalsContact O-N 3.11Å; S430-G433 PolarHBondContact O-N 3.16Å; S430-G433 VanDerWaalsContact O-N 3.14Å |
| 434 | K | 86.9 | Confident | 96.3 | Very high | 189 Ų | 189 | 91.4 Ų | 91.4 | 82% | 0.822 | 53% | 0.527 | S | S | * | . | trans | -107.3 | 0 | 168.6 | -63.5 | -62.4 | -177 | -175.1 | 0 | 109.7 | M429 S430 V432 | M429-K434 HydrophobicContact CB-CB 3.93Å; M429-K434 HydrophobicContact CE-CB 3.96Å; M429-K434 HydrophobicContact CG-CB 4.35Å; M429-K434 PolarHBondContact O-N 2.72Å; M429-K434 VanDerWaalsContact O-OXT 3.09Å; S430-K434 WeakPolarHBondContact CA-OXT 3.44Å; S430-K434 PolarHBondContact N-OXT 3.3Å; V432-K434 HydrophobicContact CG2-CG 4.08Å |
Retrieved 434 of 434 residues in 1116.7 ms
(Link to these results)