| 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 | L | 43.4 | Very low | 52.1 | Low | 166 Ų | 166 | 83.4 Ų | 83.4 | 87% | 0.869 | 45% | 0.452 | S | S | * | . | 0 | -50.1 | 0 | -83.6 | 157.6 | 0 | 0 | 0 | 112.9 | L5 L43 | L1-L5 WeakPolarHBondContact O-CB 3.43Å; L1-L5 PolarHBondContact O-N 3.03Å; L1-L43 HydrophobicContact CD2-CD2 4.17Å | |||
| 2 | T | 44.9 | Very low | 52.7 | Low | 119 Ų | 119 | 77.8 Ų | 77.8 | 73% | 0.73 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -73.6 | -30.9 | -179.6 | 37.2 | 0 | 0 | 0 | 0 | 115.7 | K6 | T2-K6 PolarHBondContact O-N 3.22Å; T2-K6 VanDerWaalsContact O-N 3.12Å |
| 3 | M | 46.1 | Very low | 53.4 | Low | 153 Ų | 153 | 82.6 Ų | 82.6 | 75% | 0.754 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.8 | -48.3 | 175.9 | -88.1 | 179.1 | 169.7 | 0 | 0 | 112.7 | L5 K6 E7 | M3-L5 PolarHBondContact O-N 3.22Å; M3-K6 PolarHBondContact O-N 2.86Å; M3-E7 PolarHBondContact O-N 3.3Å |
| 4 | A | 48.3 | Very low | 53.9 | Low | 28 Ų | 28 | 81.5 Ų | 81.5 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T8 | A4-T8 WeakPolarHBondContact O-CB 3.48Å; A4-T8 VanDerWaalsContact O-CG2 3.31Å; A4-T8 WeakPolarHBondContact O-CG2 3.39Å; A4-T8 PolarHBondContact O-N 2.92Å; A4-T8 PolarHBondContact O-OG1 3.01Å |
| 5 | L | 49.9 | Very low | 54.3 | Low | 44 Ų | 44 | 76.3 Ų | 76.3 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.6 | -38.5 | 174.6 | -130.1 | 154.7 | 0 | 0 | 0 | 112.4 | L1 M3 T8 A9 Q57 | L1-L5 WeakPolarHBondContact O-CB 3.43Å; L1-L5 PolarHBondContact O-N 3.03Å; M3-L5 PolarHBondContact O-N 3.22Å; L5-T8 VanDerWaalsContact CA-OG1 3.29Å; L5-T8 WeakPolarHBondContact CA-OG1 3.19Å; L5-T8 PolarHBondContact O-OG1 3.43Å; L5-T8 VanDerWaalsContact O-OG1 3.07Å; L5-A9 WeakPolarHBondContact O-CB 3.29Å; L5-A9 PolarHBondContact O-N 3Å; L5-Q57 HydrophobicContact CD1-CG 3.7Å; L5-Q57 HydrophobicContact CD2-CG 4.09Å; L5-Q57 HydrophobicContact CG-CG 3.92Å |
| 6 | K | 53.6 | Low | 54.9 | Low | 173 Ų | 173 | 77.1 Ų | 77.1 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -72 | -36.5 | 174 | -97.9 | -176.7 | 173.2 | -177.7 | 0 | 112.4 | T2 M3 G10 | T2-K6 PolarHBondContact O-N 3.22Å; T2-K6 VanDerWaalsContact O-N 3.12Å; M3-K6 PolarHBondContact O-N 2.86Å; K6-G10 PolarHBondContact O-N 3.45Å |
| 7 | E | 55.8 | Low | 55.3 | Low | 127 Ų | 127 | 75.9 Ų | 75.9 | 59% | 0.593 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.6 | -42.3 | 175.2 | -73.7 | 176.9 | 166.2 | 0 | 0 | 111.5 | M3 G10 L11 | M3-E7 PolarHBondContact O-N 3.3Å; E7-G10 PolarHBondContact O-N 2.89Å; E7-L11 VanDerWaalsContact O-CB 3.29Å; E7-L11 WeakPolarHBondContact O-CB 3.5Å; E7-L11 WeakPolarHBondContact O-CG 2.93Å; E7-L11 PolarHBondContact O-N 2.92Å |
| 8 | T | 55.5 | Low | 55.4 | Low | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 173.8 | 45.6 | 0 | 0 | 0 | 0 | 112.4 | A4 L5 Y12 L36 | A4-T8 WeakPolarHBondContact O-CB 3.48Å; A4-T8 VanDerWaalsContact O-CG2 3.31Å; A4-T8 WeakPolarHBondContact O-CG2 3.39Å; A4-T8 PolarHBondContact O-N 2.92Å; A4-T8 PolarHBondContact O-OG1 3.01Å; L5-T8 VanDerWaalsContact CA-OG1 3.29Å; L5-T8 WeakPolarHBondContact CA-OG1 3.19Å; L5-T8 PolarHBondContact O-OG1 3.43Å; L5-T8 VanDerWaalsContact O-OG1 3.07Å; T8-Y12 VanDerWaalsContact O-CB 3.22Å; T8-Y12 WeakPolarHBondContact O-CB 3.48Å; T8-Y12 PolarHBondContact O-N 3.39Å; T8-L36 HydrophobicContact CG2-CD2 4.31Å |
| 9 | A | 57.2 | Low | 55.5 | Low | 32 Ų | 32 | 74.3 Ų | 74.3 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L5 Y12 E13 | L5-A9 WeakPolarHBondContact O-CB 3.29Å; L5-A9 PolarHBondContact O-N 3Å; A9-Y12 PolarHBondContact O-N 2.91Å; A9-E13 PolarHBondContact O-N 3.48Å |
| 10 | G | 57.9 | Low | 55.7 | Low | 30 Ų | 30 | 77.6 Ų | 77.6 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | K6 E7 Y12 E13 T14 | K6-G10 PolarHBondContact O-N 3.45Å; E7-G10 PolarHBondContact O-N 2.89Å; G10-Y12 VanDerWaalsContact C-N 3.34Å; G10-E13 PolarHBondContact O-N 3.45Å; G10-T14 PolarHBondContact O-N 3.48Å; G10-T14 PolarHBondContact O-OG1 2.87Å; G10-T14 VanDerWaalsContact O-OG1 3.13Å |
| 11 | L | 60 | Low | 55.6 | Low | 42 Ų | 42 | 80.9 Ų | 80.9 | 22% | 0.22 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 172.7 | -74.4 | 168.6 | 0 | 0 | 0 | 111.4 | E7 T14 L15 L32 L36 | E7-L11 VanDerWaalsContact O-CB 3.29Å; E7-L11 WeakPolarHBondContact O-CB 3.5Å; E7-L11 WeakPolarHBondContact O-CG 2.93Å; E7-L11 PolarHBondContact O-N 2.92Å; L11-T14 VanDerWaalsContact C-OG1 3.28Å; L11-T14 VanDerWaalsContact CA-OG1 3.24Å; L11-T14 WeakPolarHBondContact CA-OG1 3.43Å; L11-T14 PolarHBondContact O-N 3.27Å; L11-T14 PolarHBondContact O-OG1 2.95Å; L11-L15 VanDerWaalsContact O-CB 3.25Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 PolarHBondContact O-N 3.27Å; L11-L32 HydrophobicContact CD2-CD2 3.65Å; L11-L36 HydrophobicContact CB-CD1 4.35Å; L11-L36 HydrophobicContact CB-CD2 3.83Å; L11-L36 HydrophobicContact CB-CG 4.11Å; L11-L36 HydrophobicContact CD1-CD2 4.26Å; L11-L36 HydrophobicContact CD1-CG 4.37Å |
| 12 | Y | 59.1 | Low | 55.7 | Low | 17 Ų | 17 | 82.9 Ų | 82.9 | 7% | 0.067 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 174.9 | 174.2 | -104 | 0 | 0 | 0 | 113 | T8 A9 G10 L15 K16 L60 D63 V64 I67 | T8-Y12 VanDerWaalsContact O-CB 3.22Å; T8-Y12 WeakPolarHBondContact O-CB 3.48Å; T8-Y12 PolarHBondContact O-N 3.39Å; A9-Y12 PolarHBondContact O-N 2.91Å; G10-Y12 VanDerWaalsContact C-N 3.34Å; Y12-L15 PolarHBondContact O-N 3.3Å; Y12-K16 HydrophobicContact CD1-CD 4.18Å; Y12-K16 HydrophobicContact CE1-CD 3.66Å; Y12-K16 HydrophobicContact CE1-CG 4.39Å; Y12-K16 VanDerWaalsContact CZ-NZ 3.29Å; Y12-K16 WeakPolarHBondContact O-CB 3.26Å; Y12-K16 PolarHBondContact O-N 3.11Å; Y12-K16 WeakPolarHBondContact OH-CE 3.3Å; Y12-K16 PolarHBondContact OH-NZ 2.92Å; Y12-L60 HydrophobicContact CD1-CD1 3.32Å; Y12-L60 HydrophobicContact CD2-CD1 3.85Å; Y12-L60 HydrophobicContact CE1-CD1 3.62Å; Y12-L60 HydrophobicContact CE2-CD1 4.13Å; Y12-L60 HydrophobicContact CG-CD1 3.4Å; Y12-L60 HydrophobicContact CG-CG 4.46Å; Y12-D63 HydrophobicContact CE2-CB 3.58Å; Y12-D63 WeakPolarHBondContact OH-CB 3.44Å; Y12-D63 PolarHBondContact OH-OD2 3.1Å; Y12-V64 HydrophobicContact CD2-CG2 3.53Å; Y12-V64 HydrophobicContact CE2-CG2 4.15Å; Y12-V64 HydrophobicContact CG-CG2 4.4Å; Y12-I67 HydrophobicContact CE2-CD1 4.15Å |
| 13 | E | 61.9 | Low | 55.4 | Low | 140 Ų | 140 | 84 Ų | 84 | 65% | 0.654 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 172 | -78.9 | -178 | 175.1 | 0 | 0 | 111.6 | A9 G10 L15 K16 A17 | A9-E13 PolarHBondContact O-N 3.48Å; G10-E13 PolarHBondContact O-N 3.45Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.33Å; E13-K16 PolarHBondContact O-N 3.04Å; E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.32Å; E13-A17 PolarHBondContact O-N 2.97Å |
| 14 | T | 61 | Low | 55.6 | Low | 67 Ų | 67 | 78.4 Ų | 78.4 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 172.2 | 48 | 0 | 0 | 0 | 0 | 112.2 | G10 L11 A17 E18 | G10-T14 PolarHBondContact O-N 3.48Å; G10-T14 PolarHBondContact O-OG1 2.87Å; G10-T14 VanDerWaalsContact O-OG1 3.13Å; L11-T14 VanDerWaalsContact C-OG1 3.28Å; L11-T14 VanDerWaalsContact CA-OG1 3.24Å; L11-T14 WeakPolarHBondContact CA-OG1 3.43Å; L11-T14 PolarHBondContact O-N 3.27Å; L11-T14 PolarHBondContact O-OG1 2.95Å; T14-A17 PolarHBondContact O-N 3.41Å; T14-E18 WeakPolarHBondContact O-CB 3.25Å; T14-E18 WeakPolarHBondContact O-CG 3.34Å; T14-E18 PolarHBondContact O-N 2.92Å |
| 15 | L | 60.4 | Low | 55.8 | Low | 3 Ų | 3 | 81.7 Ų | 81.7 | 2% | 0.016 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.4 | -37.1 | 178.2 | -170.4 | 141.1 | 0 | 0 | 0 | 111.7 | L11 Y12 E13 E18 W19 L32 L33 L36 I67 | L11-L15 VanDerWaalsContact O-CB 3.25Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 PolarHBondContact O-N 3.27Å; Y12-L15 PolarHBondContact O-N 3.3Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.33Å; L15-E18 PolarHBondContact O-N 3.39Å; L15-W19 VanDerWaalsContact O-CB 3.28Å; L15-W19 WeakPolarHBondContact O-CB 3.21Å; L15-W19 PolarHBondContact O-N 3.5Å; L15-L32 HydrophobicContact CD1-CB 4.45Å; L15-L33 HydrophobicContact CD1-CD2 4.13Å; L15-L33 HydrophobicContact CD1-CG 4.19Å; L15-L36 HydrophobicContact CD1-CD1 3.73Å; L15-I67 HydrophobicContact CD2-CB 3.79Å; L15-I67 HydrophobicContact CD2-CD1 3.56Å; L15-I67 HydrophobicContact CD2-CG1 4.26Å; L15-I67 HydrophobicContact CD2-CG2 3.4Å |
| 16 | K | 63.8 | Low | 56.2 | Low | 90 Ų | 90 | 82.2 Ų | 82.2 | 39% | 0.391 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 168.9 | -83.8 | -176.2 | 164.2 | 171.1 | 0 | 112.4 | Y12 E13 E18 W19 N20 I67 | Y12-K16 HydrophobicContact CD1-CD 4.18Å; Y12-K16 HydrophobicContact CE1-CD 3.66Å; Y12-K16 HydrophobicContact CE1-CG 4.39Å; Y12-K16 VanDerWaalsContact CZ-NZ 3.29Å; Y12-K16 WeakPolarHBondContact O-CB 3.26Å; Y12-K16 PolarHBondContact O-N 3.11Å; Y12-K16 WeakPolarHBondContact OH-CE 3.3Å; Y12-K16 PolarHBondContact OH-NZ 2.92Å; E13-K16 PolarHBondContact O-N 3.04Å; K16-E18 VanDerWaalsContact C-N 3.33Å; K16-W19 PolarHBondContact O-N 2.89Å; K16-N20 WeakPolarHBondContact O-CB 3.47Å; K16-N20 PolarHBondContact O-N 3.31Å; K16-N20 PolarHBondContact O-ND2 3.41Å; K16-I67 HydrophobicContact CG-CD1 4.37Å |
| 17 | A | 61 | Low | 56.5 | Low | 56 Ų | 56 | 79.8 Ų | 79.8 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E13 T14 K21 | E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.32Å; E13-A17 PolarHBondContact O-N 2.97Å; T14-A17 PolarHBondContact O-N 3.41Å; A17-K21 PolarHBondContact O-N 2.59Å |
| 18 | E | 58 | Low | 56.8 | Low | 46 Ų | 46 | 79.4 Ų | 79.4 | 22% | 0.215 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -73.8 | -34.6 | 172.1 | -74.7 | -167.8 | 160.3 | 0 | 0 | 112.5 | T14 L15 K16 K21 L32 | T14-E18 WeakPolarHBondContact O-CB 3.25Å; T14-E18 WeakPolarHBondContact O-CG 3.34Å; T14-E18 PolarHBondContact O-N 2.92Å; L15-E18 PolarHBondContact O-N 3.39Å; K16-E18 VanDerWaalsContact C-N 3.33Å; E18-K21 PolarHBondContact O-N 3.43Å; E18-L32 VanDerWaalsContact OE2-CD1 3.31Å; E18-L32 WeakPolarHBondContact OE2-CD1 3.37Å |
| 19 | W | 56.5 | Low | 56.9 | Low | 76 Ų | 76 | 79.5 Ų | 79.5 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 175.4 | -167 | -97 | 0 | 0 | 0 | 112.9 | L15 K16 K21 I67 L70 W71 L74 | L15-W19 VanDerWaalsContact O-CB 3.28Å; L15-W19 WeakPolarHBondContact O-CB 3.21Å; L15-W19 PolarHBondContact O-N 3.5Å; K16-W19 PolarHBondContact O-N 2.89Å; W19-K21 PolarHBondContact O-N 3.21Å; W19-I67 HydrophobicContact CD2-CG2 3.83Å; W19-I67 HydrophobicContact CE3-CG2 3.51Å; W19-I67 HydrophobicContact CG-CG2 4.36Å; W19-I67 HydrophobicContact CZ3-CG2 3.95Å; W19-L70 HydrophobicContact CH2-CB 3.33Å; W19-L70 HydrophobicContact CH2-CD1 4.47Å; W19-L70 HydrophobicContact CZ2-CB 3.55Å; W19-L70 HydrophobicContact CZ2-CD1 3.84Å; W19-L70 HydrophobicContact CZ2-CG 4.32Å; W19-L70 HydrophobicContact CZ3-CB 4.3Å; W19-W71 HydrophobicContact CZ3-CB 4.11Å; W19-L74 HydrophobicContact CH2-CD1 3.77Å; W19-L74 HydrophobicContact CZ3-CD1 4.12Å |
| 20 | N | 59.2 | Low | 57.2 | Low | 139 Ų | 139 | 78.5 Ų | 78.5 | 74% | 0.743 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.7 | 174.5 | -77.1 | -25.1 | 0 | 0 | 0 | 113.1 | K16 | K16-N20 WeakPolarHBondContact O-CB 3.47Å; K16-N20 PolarHBondContact O-N 3.31Å; K16-N20 PolarHBondContact O-ND2 3.41Å |
| 21 | K | 54.6 | Low | 57.6 | Low | 148 Ų | 148 | 82 Ų | 82 | 64% | 0.643 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -80.9 | 121.6 | 169.2 | -77.7 | -178.5 | 177.5 | 176.4 | 0 | 109.1 | A17 E18 W19 N23 | A17-K21 PolarHBondContact O-N 2.59Å; E18-K21 PolarHBondContact O-N 3.43Å; W19-K21 PolarHBondContact O-N 3.21Å; K21-N23 CarbonylContact O-C 3.53Å; K21-N23 PolarHBondContact O-N 2.96Å |
| 22 | K | 43.9 | Very low | 57.9 | Low | 207 Ų | 207 | 81.4 Ų | 81.4 | 90% | 0.9 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -53.2 | -6.1 | -177.3 | -135.4 | 174.5 | -177.2 | -179.1 | 0 | 116.5 | ||
| 23 | N | 38.5 | Very low | 58.3 | Low | 144 Ų | 144 | 80.9 Ų | 80.9 | 77% | 0.77 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -134.9 | 95.5 | 170.5 | -83 | -53.1 | 0 | 0 | 0 | 108.8 | K21 N25 | K21-N23 CarbonylContact O-C 3.53Å; K21-N23 PolarHBondContact O-N 2.96Å; N23-N25 PolarHBondContact O-N 3.17Å |
| 24 | P | 51.8 | Low | 58.6 | Low | 34 Ų | 34 | 77.5 Ų | 77.5 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | trans | -67 | 128 | 177.6 | -17.8 | 31.3 | 0 | 0 | 0 | 109.9 | L26 L74 | P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 HydrophobicContact CB-CD1 4.49Å; P24-L26 WeakPolarHBondContact O-CD1 3.49Å; P24-L26 PolarHBondContact O-N 2.92Å; P24-L74 HydrophobicContact CG-CD1 4.26Å | ||
| 25 | N | 51.5 | Low | 58.9 | Low | 97 Ų | 97 | 80.6 Ų | 80.6 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | trans | -71.8 | 92.5 | 167.9 | -81.7 | -47.4 | 0 | 0 | 0 | 108.1 | N23 N27 K28 C29 | N23-N25 PolarHBondContact O-N 3.17Å; N25-N27 PolarHBondContact O-N 2.98Å; N25-K28 HydrophobicContact CB-CB 4Å; N25-K28 HydrophobicContact CB-CD 4.16Å; N25-K28 HydrophobicContact CB-CG 4.12Å; N25-K28 PolarHBondContact O-N 3.05Å; N25-C29 PolarHBondContact O-N 2.62Å; N25-C29 VanDerWaalsContact O-N 3.08Å | ||
| 26 | L | 58.7 | Low | 59.2 | Low | 56 Ų | 56 | 80.5 Ų | 80.5 | 29% | 0.293 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -50.2 | -39.8 | -174.4 | -97 | 73.1 | 0 | 0 | 0 | 112.2 | P24 G30 W71 K75 | P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 HydrophobicContact CB-CD1 4.49Å; P24-L26 WeakPolarHBondContact O-CD1 3.49Å; P24-L26 PolarHBondContact O-N 2.92Å; L26-G30 PolarHBondContact O-N 3.02Å; L26-W71 VanDerWaalsContact CA-NE1 3.33Å; L26-W71 VanDerWaalsContact O-CE2 3.22Å; L26-W71 WeakPolarHBondContact O-CZ2 3.34Å; L26-W71 PolarHBondContact O-NE1 3.37Å; L26-K75 HydrophobicContact CD2-CB 3.61Å; L26-K75 HydrophobicContact CD2-CD 4.44Å; L26-K75 HydrophobicContact CD2-CG 3.88Å |
| 27 | N | 60.8 | Low | 59.5 | Low | 121 Ų | 121 | 79.9 Ų | 79.9 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.1 | -37.7 | -178.2 | -65.2 | -21.5 | 0 | 0 | 0 | 113.3 | N25 G30 D31 | N25-N27 PolarHBondContact O-N 2.98Å; N27-G30 PolarHBondContact O-N 2.73Å; N27-D31 PolarHBondContact O-N 2.76Å |
| 28 | K | 61.3 | Low | 59.9 | Low | 120 Ų | 120 | 81 Ų | 81 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 177.1 | -70 | -173 | 176.7 | -176.8 | 0 | 111.6 | N25 G30 D31 L32 | N25-K28 HydrophobicContact CB-CB 4Å; N25-K28 HydrophobicContact CB-CD 4.16Å; N25-K28 HydrophobicContact CB-CG 4.12Å; N25-K28 PolarHBondContact O-N 3.05Å; K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 3.23Å; K28-D31 PolarHBondContact O-N 2.9Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 3.29Å |
| 29 | C | 58.8 | Low | 60 | Low | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 172.1 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | N25 L33 W71 | N25-C29 PolarHBondContact O-N 2.62Å; N25-C29 VanDerWaalsContact O-N 3.08Å; C29-L33 WeakPolarHBondContact O-CB 3.45Å; C29-L33 WeakPolarHBondContact O-CD1 2.98Å; C29-L33 WeakPolarHBondContact O-CG 3.35Å; C29-L33 PolarHBondContact O-N 3.28Å; C29-W71 HydrophobicContact CB-CG 4.27Å |
| 30 | G | 61.6 | Low | 60.3 | Low | 11 Ų | 11 | 77 Ų | 77 | 11% | 0.113 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L26 N27 K28 S34 | L26-G30 PolarHBondContact O-N 3.02Å; N27-G30 PolarHBondContact O-N 2.73Å; K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 3.23Å; G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.44Å; G30-S34 PolarHBondContact O-OG 3.5Å |
| 31 | D | 67.6 | Low | 60.6 | Low | 104 Ų | 104 | 75.8 Ų | 75.8 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.9 | -40.5 | 176.4 | -70.2 | -25.6 | 0 | 0 | 0 | 111.9 | N27 K28 S34 K35 | N27-D31 PolarHBondContact O-N 2.76Å; K28-D31 PolarHBondContact O-N 2.9Å; D31-S34 PolarHBondContact O-N 2.88Å; D31-K35 WeakPolarHBondContact O-CG 3.15Å; D31-K35 PolarHBondContact O-N 3.17Å |
| 32 | L | 66.1 | Low | 60.9 | Low | 29 Ų | 29 | 75.8 Ų | 75.8 | 15% | 0.152 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.3 | -73.3 | 170.4 | 0 | 0 | 0 | 111.6 | L11 L15 E18 K28 S34 K35 L36 | L11-L32 HydrophobicContact CD2-CD2 3.65Å; L15-L32 HydrophobicContact CD1-CB 4.45Å; E18-L32 VanDerWaalsContact OE2-CD1 3.31Å; E18-L32 WeakPolarHBondContact OE2-CD1 3.37Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 3.29Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.22Å; L32-K35 PolarHBondContact O-N 3.49Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 2.97Å; L32-L36 WeakPolarHBondContact O-CD1 3.49Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 2.94Å |
| 33 | L | 67.2 | Low | 61.6 | Low | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 174.4 | -78.3 | 166 | 0 | 0 | 0 | 111.8 | L15 C29 L36 K37 V64 W71 | L15-L33 HydrophobicContact CD1-CD2 4.13Å; L15-L33 HydrophobicContact CD1-CG 4.19Å; C29-L33 WeakPolarHBondContact O-CB 3.45Å; C29-L33 WeakPolarHBondContact O-CD1 2.98Å; C29-L33 WeakPolarHBondContact O-CG 3.35Å; C29-L33 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 VanDerWaalsContact O-CG 3.28Å; L33-K37 WeakPolarHBondContact O-CG 3.46Å; L33-K37 PolarHBondContact O-N 2.87Å; L33-V64 HydrophobicContact CD2-CG1 4.19Å; L33-W71 HydrophobicContact CD1-CB 4.35Å; L33-W71 HydrophobicContact CD1-CD2 3.97Å; L33-W71 HydrophobicContact CD1-CE3 3.82Å; L33-W71 HydrophobicContact CD1-CG 4.21Å; L33-W71 HydrophobicContact CD1-CZ3 4.41Å |
| 34 | S | 68.4 | Low | 62.2 | Low | 69 Ų | 69 | 66.3 Ų | 66.3 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | G30 D31 L32 K37 V38 | G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.44Å; G30-S34 PolarHBondContact O-OG 3.5Å; D31-S34 PolarHBondContact O-N 2.88Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.22Å; S34-K37 PolarHBondContact O-N 3.42Å; S34-V38 WeakPolarHBondContact O-CG2 3.32Å; S34-V38 PolarHBondContact O-N 3.01Å; S34-V38 VanDerWaalsContact O-N 3.1Å |
| 35 | K | 66.9 | Low | 62.2 | Low | 133 Ų | 133 | 68.3 Ų | 68.3 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 173.6 | -72.2 | 175.9 | -178.7 | -179.4 | 0 | 112 | D31 L32 K37 V38 S39 | D31-K35 WeakPolarHBondContact O-CG 3.15Å; D31-K35 PolarHBondContact O-N 3.17Å; L32-K35 PolarHBondContact O-N 3.49Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.16Å; K35-V38 PolarHBondContact O-N 2.9Å; K35-S39 PolarHBondContact O-N 3.19Å; K35-S39 PolarHBondContact O-OG 3.34Å |
| 36 | L | 67.3 | Low | 62.1 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 174.7 | -82.8 | 160.7 | 0 | 0 | 0 | 111.7 | T8 L11 L15 L32 L33 V38 S39 L40 V64 | T8-L36 HydrophobicContact CG2-CD2 4.31Å; L11-L36 HydrophobicContact CB-CD1 4.35Å; L11-L36 HydrophobicContact CB-CD2 3.83Å; L11-L36 HydrophobicContact CB-CG 4.11Å; L11-L36 HydrophobicContact CD1-CD2 4.26Å; L11-L36 HydrophobicContact CD1-CG 4.37Å; L15-L36 HydrophobicContact CD1-CD1 3.73Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 2.97Å; L32-L36 WeakPolarHBondContact O-CD1 3.49Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 2.94Å; L33-L36 PolarHBondContact O-N 3.3Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.03Å; L36-S39 PolarHBondContact O-N 3.26Å; L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.2Å; L36-L40 WeakPolarHBondContact O-CD1 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 2.86Å; L36-V64 HydrophobicContact CB-CG1 4.31Å; L36-V64 HydrophobicContact CD1-CG1 4.14Å; L36-V64 HydrophobicContact CD2-CG2 4.5Å |
| 37 | K | 69.1 | Low | 61.5 | Low | 76 Ų | 76 | 70 Ų | 70 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 174.5 | -82.1 | 177.6 | 174.8 | -177.4 | 0 | 112.3 | L33 S34 K35 L40 L41 Y84 | L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 VanDerWaalsContact O-CG 3.28Å; L33-K37 WeakPolarHBondContact O-CG 3.46Å; L33-K37 PolarHBondContact O-N 2.87Å; S34-K37 PolarHBondContact O-N 3.42Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.16Å; K37-L40 PolarHBondContact O-N 2.95Å; K37-L41 WeakPolarHBondContact O-CB 3.28Å; K37-L41 WeakPolarHBondContact O-CD1 3.37Å; K37-L41 WeakPolarHBondContact O-CG 3.28Å; K37-L41 PolarHBondContact O-N 2.85Å; K37-Y84 VanDerWaalsContact CE-CZ 3.41Å; K37-Y84 WeakPolarHBondContact CE-OH 3.41Å; K37-Y84 PolarHBondContact NZ-OH 3.36Å |
| 38 | V | 69.9 | Low | 60.5 | Low | 81 Ų | 81 | 68.1 Ų | 68.1 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | S34 K35 L36 L40 L41 E42 | S34-V38 WeakPolarHBondContact O-CG2 3.32Å; S34-V38 PolarHBondContact O-N 3.01Å; S34-V38 VanDerWaalsContact O-N 3.1Å; K35-V38 PolarHBondContact O-N 2.9Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.03Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 3.31Å; V38-L41 WeakPolarHBondContact O-CB 3.38Å; V38-L41 PolarHBondContact O-N 3.26Å; V38-E42 WeakPolarHBondContact O-CG 3.26Å; V38-E42 PolarHBondContact O-N 3.3Å; V38-E42 VanDerWaalsContact O-N 3.1Å |
| 39 | S | 60.4 | Low | 59.6 | Low | 25 Ų | 25 | 68.8 Ų | 68.8 | 18% | 0.175 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -30.1 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | K35 L36 L43 | K35-S39 PolarHBondContact O-N 3.19Å; K35-S39 PolarHBondContact O-OG 3.34Å; L36-S39 PolarHBondContact O-N 3.26Å; S39-L43 WeakPolarHBondContact O-CD1 3.45Å; S39-L43 WeakPolarHBondContact O-CG 3.5Å |
| 40 | L | 63.4 | Low | 58.9 | Low | 11 Ų | 11 | 71.9 Ų | 71.9 | 6% | 0.058 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -79.9 | -30.5 | 174.9 | -68.4 | 168 | 0 | 0 | 0 | 112.3 | L36 K37 V38 E42 L43 F45 A61 V64 | L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.2Å; L36-L40 WeakPolarHBondContact O-CD1 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 2.86Å; K37-L40 PolarHBondContact O-N 2.95Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 3.31Å; L40-E42 VanDerWaalsContact C-N 3.31Å; L40-L43 HydrophobicContact CD2-CD1 4.24Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L40-F45 HydrophobicContact CB-CE1 3.87Å; L40-F45 HydrophobicContact CB-CE2 3.62Å; L40-F45 HydrophobicContact CB-CZ 3.15Å; L40-F45 HydrophobicContact CD1-CZ 4.14Å; L40-F45 HydrophobicContact CG-CZ 4.21Å; L40-F45 WeakPolarHBondContact O-CD2 3.26Å; L40-F45 WeakPolarHBondContact O-CE2 3.32Å; L40-A61 HydrophobicContact CD2-CB 4.04Å; L40-V64 HydrophobicContact CD1-CG1 4.22Å |
| 41 | L | 65.1 | Low | 57.9 | Low | 114 Ų | 114 | 75.1 Ų | 75.1 | 60% | 0.597 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 171.3 | -92.2 | 154.5 | 0 | 0 | 0 | 111 | K37 V38 L43 N44 F45 | K37-L41 WeakPolarHBondContact O-CB 3.28Å; K37-L41 WeakPolarHBondContact O-CD1 3.37Å; K37-L41 WeakPolarHBondContact O-CG 3.28Å; K37-L41 PolarHBondContact O-N 2.85Å; V38-L41 WeakPolarHBondContact O-CB 3.38Å; V38-L41 PolarHBondContact O-N 3.26Å; L41-L43 PolarHBondContact O-N 3.4Å; L41-N44 PolarHBondContact O-N 3.1Å; L41-N44 VanDerWaalsContact O-N 3.14Å; L41-F45 HydrophobicContact CB-CD2 4.4Å; L41-F45 HydrophobicContact CB-CE2 4.26Å; L41-F45 HydrophobicContact CD2-CD2 4.14Å; L41-F45 HydrophobicContact CD2-CE2 4.46Å; L41-F45 HydrophobicContact CG-CD2 4.02Å; L41-F45 HydrophobicContact CG-CE2 3.87Å |
| 42 | E | 61.1 | Low | 56.8 | Low | 148 Ų | 148 | 75.3 Ų | 75.3 | 69% | 0.692 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.3 | 174.8 | -69.9 | 175.3 | 177 | 0 | 0 | 113.2 | V38 L40 N44 | V38-E42 WeakPolarHBondContact O-CG 3.26Å; V38-E42 PolarHBondContact O-N 3.3Å; V38-E42 VanDerWaalsContact O-N 3.1Å; L40-E42 VanDerWaalsContact C-N 3.31Å; E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 3.39Å |
| 43 | L | 57.5 | Low | 56.2 | Low | 46 Ų | 46 | 76.5 Ų | 76.5 | 24% | 0.241 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.2 | 177.2 | -70.8 | 165.7 | 0 | 0 | 0 | 113.6 | L1 S39 L40 L41 | L1-L43 HydrophobicContact CD2-CD2 4.17Å; S39-L43 WeakPolarHBondContact O-CD1 3.45Å; S39-L43 WeakPolarHBondContact O-CG 3.5Å; L40-L43 HydrophobicContact CD2-CD1 4.24Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L41-L43 PolarHBondContact O-N 3.4Å |
| 44 | N | 51.6 | Low | 55.7 | Low | 107 Ų | 107 | 79 Ų | 79 | 57% | 0.572 | 47% | 0.469 | S | S | * | . | trans | 58.6 | 89.8 | 175.8 | -140.6 | 20.1 | 0 | 0 | 0 | 113.2 | L41 E42 L46 | L41-N44 PolarHBondContact O-N 3.1Å; L41-N44 VanDerWaalsContact O-N 3.14Å; E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 3.39Å; N44-L46 PolarHBondContact O-N 3.42Å; N44-L46 VanDerWaalsContact O-N 3.16Å | ||
| 45 | F | 52.4 | Low | 55.3 | Low | 76 Ų | 76 | 81 Ų | 81 | 33% | 0.333 | 47% | 0.469 | S | S | . | . | trans | -66.1 | -9.3 | -175.1 | -85.4 | -64.1 | 0 | 0 | 0 | 117 | L40 L41 Y91 | L40-F45 HydrophobicContact CB-CE1 3.87Å; L40-F45 HydrophobicContact CB-CE2 3.62Å; L40-F45 HydrophobicContact CB-CZ 3.15Å; L40-F45 HydrophobicContact CD1-CZ 4.14Å; L40-F45 HydrophobicContact CG-CZ 4.21Å; L40-F45 WeakPolarHBondContact O-CD2 3.26Å; L40-F45 WeakPolarHBondContact O-CE2 3.32Å; L41-F45 HydrophobicContact CB-CD2 4.4Å; L41-F45 HydrophobicContact CB-CE2 4.26Å; L41-F45 HydrophobicContact CD2-CD2 4.14Å; L41-F45 HydrophobicContact CD2-CE2 4.46Å; L41-F45 HydrophobicContact CG-CD2 4.02Å; L41-F45 HydrophobicContact CG-CE2 3.87Å; F45-Y91 WeakPolarHBondContact CD1-OH 3.04Å; F45-Y91 WeakPolarHBondContact CE1-OH 2.95Å | ||
| 46 | L | 48.8 | Very low | 55 | Low | 123 Ų | 123 | 81.3 Ų | 81.3 | 64% | 0.644 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -82.1 | 129 | 179.6 | -71.3 | 165.5 | 0 | 0 | 0 | 108.7 | N44 T48 | N44-L46 PolarHBondContact O-N 3.42Å; N44-L46 VanDerWaalsContact O-N 3.16Å; L46-T48 PolarHBondContact O-N 2.92Å |
| 47 | P | 47.3 | Very low | 54.9 | Low | 66 Ų | 66 | 82.8 Ų | 82.8 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | trans | -64.7 | 82.3 | 166.1 | 24 | -23.9 | 0 | 0 | 0 | 107.7 | S49 | P47-S49 PolarHBondContact O-N 3.48Å; P47-S49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | T | 39.6 | Very low | 54.8 | Low | 81 Ų | 81 | 80.2 Ų | 80.2 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | trans | -68.5 | 107.4 | 162 | -68.6 | 0 | 0 | 0 | 0 | 104.5 | L46 G50 | L46-T48 PolarHBondContact O-N 2.92Å; T48-G50 PolarHBondContact O-N 2.9Å | ||
| 49 | S | 42.6 | Very low | 54.8 | Low | 133 Ų | 133 | 79 Ų | 79 | 93% | 0.93 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 26.5 | -176.5 | -40.5 | 0 | 0 | 0 | 0 | 114.6 | P47 | P47-S49 PolarHBondContact O-N 3.48Å; P47-S49 VanDerWaalsContact O-N 3.13Å |
| 50 | G | 42.9 | Very low | 55.3 | Low | 70 Ų | 70 | 79 Ų | 79 | 72% | 0.722 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.2 | -3.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | T48 | T48-G50 PolarHBondContact O-N 2.9Š|
| 51 | S | 41.7 | Very low | 55.7 | Low | 79 Ų | 79 | 78.7 Ų | 78.7 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -133.8 | 137.4 | 170 | 58.8 | 0 | 0 | 0 | 0 | 110 | I53 | S51-I53 PolarHBondContact O-N 3.09Š|
| 52 | A | 43.8 | Very low | 56.2 | Low | 108 Ų | 108 | 74.2 Ų | 74.2 | 89% | 0.893 | 43% | 0.432 | S | S | * | . | trans | -63.5 | 80.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T54 | A52-T54 PolarHBondContact O-N 3.07Š| ||
| 53 | I | 52.4 | Low | 56.8 | Low | 55 Ų | 55 | 68.6 Ų | 68.6 | 28% | 0.282 | 41% | 0.407 | S | S | . | . | trans | -65 | 127.2 | 171.6 | -66.7 | 165.5 | 0 | 0 | 0 | 106 | S51 K55 L58 | S51-I53 PolarHBondContact O-N 3.09Å; I53-K55 PolarHBondContact O-N 3.11Å; I53-L58 HydrophobicContact CG2-CD1 4.35Å; I53-L58 HydrophobicContact CG2-CG 4.21Å | ||
| 54 | T | 57.8 | Low | 57.6 | Low | 58 Ų | 58 | 66.7 Ų | 66.7 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | trans | -52.9 | 114.8 | -173 | -43.2 | 0 | 0 | 0 | 0 | 109.1 | A52 Q56 Q57 L58 | A52-T54 PolarHBondContact O-N 3.07Å; T54-Q56 HydrophobicContact CG2-CB 3.93Å; T54-Q56 HydrophobicContact CG2-CG 4.38Å; T54-Q56 PolarHBondContact O-N 3.35Å; T54-Q57 WeakPolarHBondContact O-CA 3.1Å; T54-Q57 WeakPolarHBondContact O-CB 3.27Å; T54-Q57 PolarHBondContact O-N 3Å; T54-Q57 PolarHBondContact OG1-OE1 3.35Å; T54-L58 PolarHBondContact O-N 2.93Å | ||
| 55 | K | 59.3 | Low | 58.8 | Low | 109 Ų | 109 | 61.8 Ų | 61.8 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -46.1 | -32.6 | 177.2 | -59.4 | -173.9 | 179.4 | -158.8 | 0 | 112.8 | I53 L58 I59 E98 | I53-K55 PolarHBondContact O-N 3.11Å; K55-L58 PolarHBondContact O-N 3.16Å; K55-I59 WeakPolarHBondContact O-CD1 3.38Å; K55-I59 VanDerWaalsContact O-CG1 3.23Å; K55-I59 WeakPolarHBondContact O-CG1 2.96Å; K55-I59 PolarHBondContact O-N 3.22Å; K55-E98 VanDerWaalsContact CE-CD 3.47Å; K55-E98 WeakPolarHBondContact CE-OE1 3.39Å; K55-E98 WeakPolarHBondContact CE-OE2 3.4Å; K55-E98 IonicContact NZ-OE1 2.73Å; K55-E98 PolarHBondContact NZ-OE1 3.47Å; K55-E98 IonicContact NZ-OE2 3.26Å; K55-E98 PolarHBondContact NZ-OE2 2.98Å |
| 56 | Q | 61.8 | Low | 59.9 | Low | 141 Ų | 141 | 58.8 Ų | 58.8 | 66% | 0.659 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.6 | -33.7 | 175.4 | -61.3 | 177.7 | -25.9 | 0 | 0 | 114.5 | T54 L60 | T54-Q56 HydrophobicContact CG2-CB 3.93Å; T54-Q56 HydrophobicContact CG2-CG 4.38Å; T54-Q56 PolarHBondContact O-N 3.35Å; Q56-L60 VanDerWaalsContact O-CB 3.29Å; Q56-L60 WeakPolarHBondContact O-CB 3.39Å; Q56-L60 PolarHBondContact O-N 3.13Å |
| 57 | Q | 64.5 | Low | 61.3 | Low | 31 Ų | 31 | 54 Ų | 54 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 175.1 | -71.2 | 170.2 | -52.3 | 0 | 0 | 111.3 | L5 T54 L60 A61 | L5-Q57 HydrophobicContact CD1-CG 3.7Å; L5-Q57 HydrophobicContact CD2-CG 4.09Å; L5-Q57 HydrophobicContact CG-CG 3.92Å; T54-Q57 WeakPolarHBondContact O-CA 3.1Å; T54-Q57 WeakPolarHBondContact O-CB 3.27Å; T54-Q57 PolarHBondContact O-N 3Å; T54-Q57 PolarHBondContact OG1-OE1 3.35Å; Q57-L60 PolarHBondContact O-N 3.2Å; Q57-A61 VanDerWaalsContact O-CB 3.3Å; Q57-A61 WeakPolarHBondContact O-CB 3.34Å; Q57-A61 PolarHBondContact O-N 3.06Å |
| 58 | L | 66.8 | Low | 62.5 | Low | 23 Ų | 23 | 50.8 Ų | 50.8 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 176 | -72.5 | 165.9 | 0 | 0 | 0 | 111.7 | I53 T54 K55 A61 R62 Y91 Y95 | I53-L58 HydrophobicContact CG2-CD1 4.35Å; I53-L58 HydrophobicContact CG2-CG 4.21Å; T54-L58 PolarHBondContact O-N 2.93Å; K55-L58 PolarHBondContact O-N 3.16Å; L58-A61 PolarHBondContact O-N 2.88Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.01Å; L58-Y91 HydrophobicContact CD2-CD1 4.45Å; L58-Y91 HydrophobicContact CD2-CE1 4.04Å; L58-Y95 HydrophobicContact CD1-CD1 4.07Å; L58-Y95 HydrophobicContact CD1-CE1 3.37Å; L58-Y95 HydrophobicContact CD1-CE2 4.46Å; L58-Y95 HydrophobicContact CD2-CE1 4.38Å; L58-Y95 HydrophobicContact CD2-CE2 4.05Å; L58-Y95 WeakPolarHBondContact CD2-OH 3.36Å; L58-Y95 HydrophobicContact CG-CE1 4.47Å |
| 59 | I | 70.3 | Confident | 64.3 | Low | 55 Ų | 55 | 47 Ų | 47 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 172.3 | -67 | 162.6 | 0 | 0 | 0 | 110.5 | K55 A61 R62 D63 L99 | K55-I59 WeakPolarHBondContact O-CD1 3.38Å; K55-I59 VanDerWaalsContact O-CG1 3.23Å; K55-I59 WeakPolarHBondContact O-CG1 2.96Å; K55-I59 PolarHBondContact O-N 3.22Å; I59-A61 PolarHBondContact O-N 3.42Å; I59-R62 PolarHBondContact O-N 3.21Å; I59-D63 PolarHBondContact O-N 2.84Å; I59-L99 HydrophobicContact CD1-CD2 3.92Å; I59-L99 HydrophobicContact CG1-CD2 3.24Å |
| 60 | L | 71.3 | Confident | 65.9 | Low | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 179.5 | -170.9 | 71.9 | 0 | 0 | 0 | 111.5 | Y12 Q56 Q57 D63 V64 | Y12-L60 HydrophobicContact CD1-CD1 3.32Å; Y12-L60 HydrophobicContact CD2-CD1 3.85Å; Y12-L60 HydrophobicContact CE1-CD1 3.62Å; Y12-L60 HydrophobicContact CE2-CD1 4.13Å; Y12-L60 HydrophobicContact CG-CD1 3.4Å; Y12-L60 HydrophobicContact CG-CG 4.46Å; Q56-L60 VanDerWaalsContact O-CB 3.29Å; Q56-L60 WeakPolarHBondContact O-CB 3.39Å; Q56-L60 PolarHBondContact O-N 3.13Å; Q57-L60 PolarHBondContact O-N 3.2Å; L60-D63 PolarHBondContact O-N 3.46Å; L60-V64 WeakPolarHBondContact O-CB 3.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.19Å |
| 61 | A | 71 | Confident | 67.5 | Low | 6 Ų | 6 | 38.9 Ų | 38.9 | 5% | 0.05 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L40 Q57 L58 I59 V64 L65 | L40-A61 HydrophobicContact CD2-CB 4.04Å; Q57-A61 VanDerWaalsContact O-CB 3.3Å; Q57-A61 WeakPolarHBondContact O-CB 3.34Å; Q57-A61 PolarHBondContact O-N 3.06Å; L58-A61 PolarHBondContact O-N 2.88Å; I59-A61 PolarHBondContact O-N 3.42Å; A61-V64 PolarHBondContact O-N 3.22Å; A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 VanDerWaalsContact O-CG 3.24Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.37Å |
| 62 | R | 75 | Confident | 69.1 | Low | 20 Ų | 20 | 35.1 Ų | 35.1 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.8 | -51.9 | 175 | -176 | -168.7 | 68.1 | -173.8 | -0.7 | 110.8 | L58 I59 V64 L65 E66 L88 Y92 | L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.01Å; I59-R62 PolarHBondContact O-N 3.21Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 2.79Å; R62-L65 PolarHBondContact O-N 3.34Å; R62-L65 VanDerWaalsContact O-N 3.09Å; R62-E66 HydrophobicContact CG-CG 4.46Å; R62-E66 IonicContact NE-OE1 3.04Å; R62-E66 WeakPolarHBondContact O-CG 3.47Å; R62-E66 PolarHBondContact O-N 3.23Å; R62-L88 HydrophobicContact CG-CD2 4.32Å; R62-Y92 HydrophobicContact CG-CE1 4.48Å |
| 63 | D | 74.3 | Confident | 70.6 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 16% | 0.16 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -35.5 | -177.4 | -64.1 | -1.4 | 0 | 0 | 0 | 111.7 | Y12 I59 L60 E66 I67 | Y12-D63 HydrophobicContact CE2-CB 3.58Å; Y12-D63 WeakPolarHBondContact OH-CB 3.44Å; Y12-D63 PolarHBondContact OH-OD2 3.1Å; I59-D63 PolarHBondContact O-N 2.84Å; L60-D63 PolarHBondContact O-N 3.46Å; D63-E66 PolarHBondContact O-N 3.1Å; D63-I67 VanDerWaalsContact O-CG1 3.29Å; D63-I67 WeakPolarHBondContact O-CG1 3.34Å; D63-I67 PolarHBondContact O-N 2.93Å |
| 64 | V | 75.3 | Confident | 71.6 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 172.2 | 169.6 | 0 | 0 | 0 | 0 | 111 | Y12 L33 L36 L40 L60 A61 R62 G68 | Y12-V64 HydrophobicContact CD2-CG2 3.53Å; Y12-V64 HydrophobicContact CE2-CG2 4.15Å; Y12-V64 HydrophobicContact CG-CG2 4.4Å; L33-V64 HydrophobicContact CD2-CG1 4.19Å; L36-V64 HydrophobicContact CB-CG1 4.31Å; L36-V64 HydrophobicContact CD1-CG1 4.14Å; L36-V64 HydrophobicContact CD2-CG2 4.5Å; L40-V64 HydrophobicContact CD1-CG1 4.22Å; L60-V64 WeakPolarHBondContact O-CB 3.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.19Å; A61-V64 PolarHBondContact O-N 3.22Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 2.79Å; V64-G68 PolarHBondContact O-N 3.37Å |
| 65 | L | 75.8 | Confident | 72.4 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 178.4 | -69.5 | 170.6 | 0 | 0 | 0 | 111.9 | A61 R62 G68 A69 Y84 L88 Y91 | A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 VanDerWaalsContact O-CG 3.24Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.37Å; R62-L65 PolarHBondContact O-N 3.34Å; R62-L65 VanDerWaalsContact O-N 3.09Å; L65-G68 PolarHBondContact O-N 3.05Å; L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.01Å; L65-Y84 HydrophobicContact CD2-CD1 3.81Å; L65-Y84 HydrophobicContact CD2-CE1 4.08Å; L65-L88 HydrophobicContact CB-CD1 4.35Å; L65-L88 HydrophobicContact CB-CD2 3.53Å; L65-L88 HydrophobicContact CB-CG 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.43Å; L65-Y91 HydrophobicContact CD1-CD2 3.77Å; L65-Y91 HydrophobicContact CD1-CE2 3.3Å |
| 66 | E | 76.8 | Confident | 73 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 173.8 | -73.9 | 177.6 | -169.9 | 0 | 0 | 111.1 | R62 D63 G68 A69 L70 L88 Y92 L108 | R62-E66 HydrophobicContact CG-CG 4.46Å; R62-E66 IonicContact NE-OE1 3.04Å; R62-E66 WeakPolarHBondContact O-CG 3.47Å; R62-E66 PolarHBondContact O-N 3.23Å; D63-E66 PolarHBondContact O-N 3.1Å; E66-G68 VanDerWaalsContact C-N 3.3Å; E66-G68 PolarHBondContact O-N 3.04Å; E66-A69 PolarHBondContact O-N 3.39Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.36Å; E66-L88 HydrophobicContact CG-CD2 4.01Å; E66-Y92 PolarHBondContact OE1-OH 3.15Å; E66-Y92 VanDerWaalsContact OE1-OH 3.06Å; E66-L108 HydrophobicContact CG-CD2 4.5Å |
| 67 | I | 76.2 | Confident | 73.8 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -35.9 | 176.9 | -58.8 | 164.8 | 0 | 0 | 0 | 110.7 | Y12 L15 K16 W19 D63 A69 L70 W71 | Y12-I67 HydrophobicContact CE2-CD1 4.15Å; L15-I67 HydrophobicContact CD2-CB 3.79Å; L15-I67 HydrophobicContact CD2-CD1 3.56Å; L15-I67 HydrophobicContact CD2-CG1 4.26Å; L15-I67 HydrophobicContact CD2-CG2 3.4Å; K16-I67 HydrophobicContact CG-CD1 4.37Å; W19-I67 HydrophobicContact CD2-CG2 3.83Å; W19-I67 HydrophobicContact CE3-CG2 3.51Å; W19-I67 HydrophobicContact CG-CG2 4.36Å; W19-I67 HydrophobicContact CZ3-CG2 3.95Å; D63-I67 VanDerWaalsContact O-CG1 3.29Å; D63-I67 WeakPolarHBondContact O-CG1 3.34Å; D63-I67 PolarHBondContact O-N 2.93Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 2.88Å; I67-L70 PolarHBondContact O-N 2.75Å; I67-W71 WeakPolarHBondContact O-CB 3.25Å; I67-W71 PolarHBondContact O-N 2.91Å |
| 68 | G | 74.1 | Confident | 74.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | V64 L65 E66 W71 S72 | V64-G68 PolarHBondContact O-N 3.37Å; L65-G68 PolarHBondContact O-N 3.05Å; E66-G68 VanDerWaalsContact C-N 3.3Å; E66-G68 PolarHBondContact O-N 3.04Å; G68-W71 PolarHBondContact O-N 3.48Å; G68-S72 PolarHBondContact O-N 3.04Å; G68-S72 PolarHBondContact O-OG 3.49Å |
| 69 | A | 76.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L65 E66 I67 W71 S72 I73 F81 L88 L108 | L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.01Å; E66-A69 PolarHBondContact O-N 3.39Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 2.88Å; A69-W71 VanDerWaalsContact C-N 3.32Å; A69-W71 PolarHBondContact O-N 2.97Å; A69-S72 WeakPolarHBondContact O-CB 3.19Å; A69-S72 PolarHBondContact O-N 3.05Å; A69-I73 WeakPolarHBondContact O-CD1 3.43Å; A69-I73 WeakPolarHBondContact O-CG1 3.19Å; A69-I73 PolarHBondContact O-N 2.95Å; A69-I73 VanDerWaalsContact O-N 3.08Å; A69-F81 HydrophobicContact CB-CD2 4.2Å; A69-F81 HydrophobicContact CB-CE2 4.12Å; A69-L88 HydrophobicContact CB-CD1 4.07Å; A69-L108 HydrophobicContact CB-CD1 4.36Å; A69-L108 HydrophobicContact CB-CD2 4.2Å |
| 70 | L | 75.9 | Confident | 75.3 | Confident | 19 Ų | 19 | 34.1 Ų | 34.1 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 174.9 | -67.5 | 173.8 | 0 | 0 | 0 | 112.4 | W19 E66 I67 I73 L74 L108 | W19-L70 HydrophobicContact CH2-CB 3.33Å; W19-L70 HydrophobicContact CH2-CD1 4.47Å; W19-L70 HydrophobicContact CZ2-CB 3.55Å; W19-L70 HydrophobicContact CZ2-CD1 3.84Å; W19-L70 HydrophobicContact CZ2-CG 4.32Å; W19-L70 HydrophobicContact CZ3-CB 4.3Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.36Å; I67-L70 PolarHBondContact O-N 2.75Å; L70-I73 HydrophobicContact CD2-CD1 4.28Å; L70-I73 PolarHBondContact O-N 2.8Å; L70-L74 PolarHBondContact O-N 2.96Å; L70-L108 HydrophobicContact CD2-CD1 3.93Å; L70-L108 HydrophobicContact CG-CD1 3.95Å |
| 71 | W | 76.9 | Confident | 75.7 | Confident | 15 Ų | 15 | 33 Ų | 33 | 6% | 0.057 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.7 | 175.4 | 85.8 | 0 | 0 | 0 | 112.4 | W19 L26 C29 L33 I67 G68 A69 I73 L74 K75 | W19-W71 HydrophobicContact CZ3-CB 4.11Å; L26-W71 VanDerWaalsContact CA-NE1 3.33Å; L26-W71 VanDerWaalsContact O-CE2 3.22Å; L26-W71 WeakPolarHBondContact O-CZ2 3.34Å; L26-W71 PolarHBondContact O-NE1 3.37Å; C29-W71 HydrophobicContact CB-CG 4.27Å; L33-W71 HydrophobicContact CD1-CB 4.35Å; L33-W71 HydrophobicContact CD1-CD2 3.97Å; L33-W71 HydrophobicContact CD1-CE3 3.82Å; L33-W71 HydrophobicContact CD1-CG 4.21Å; L33-W71 HydrophobicContact CD1-CZ3 4.41Å; I67-W71 WeakPolarHBondContact O-CB 3.25Å; I67-W71 PolarHBondContact O-N 2.91Å; G68-W71 PolarHBondContact O-N 3.48Å; A69-W71 VanDerWaalsContact C-N 3.32Å; A69-W71 PolarHBondContact O-N 2.97Å; W71-I73 PolarHBondContact O-N 2.95Å; W71-L74 PolarHBondContact O-N 3.11Å; W71-L74 VanDerWaalsContact O-N 3.14Å; W71-K75 HydrophobicContact CH2-CD 3.37Å; W71-K75 HydrophobicContact CZ2-CD 3.47Å; W71-K75 VanDerWaalsContact CZ2-CD 3.47Å; W71-K75 HydrophobicContact CZ3-CD 4.05Å; W71-K75 PolarHBondContact O-N 3.26Å |
| 72 | S | 75.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -33.9 | 176.5 | -75.9 | 0 | 0 | 0 | 0 | 112.5 | G68 A69 K75 K76 D77 Y84 | G68-S72 PolarHBondContact O-N 3.04Å; G68-S72 PolarHBondContact O-OG 3.49Å; A69-S72 WeakPolarHBondContact O-CB 3.19Å; A69-S72 PolarHBondContact O-N 3.05Å; S72-K75 PolarHBondContact O-N 3.38Å; S72-K76 PolarHBondContact O-N 3.31Å; S72-D77 PolarHBondContact O-N 3.44Å; S72-Y84 WeakPolarHBondContact OG-CD2 3.44Å; S72-Y84 WeakPolarHBondContact OG-CE2 3.32Å |
| 73 | I | 75.1 | Confident | 76.6 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -45.4 | 174.3 | -64 | 152.8 | 0 | 0 | 0 | 111.1 | A69 L70 W71 K75 K76 F81 L111 F176 | A69-I73 WeakPolarHBondContact O-CD1 3.43Å; A69-I73 WeakPolarHBondContact O-CG1 3.19Å; A69-I73 PolarHBondContact O-N 2.95Å; A69-I73 VanDerWaalsContact O-N 3.08Å; L70-I73 HydrophobicContact CD2-CD1 4.28Å; L70-I73 PolarHBondContact O-N 2.8Å; W71-I73 PolarHBondContact O-N 2.95Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 3.35Å; I73-K76 WeakPolarHBondContact O-CA 3.42Å; I73-K76 PolarHBondContact O-N 2.88Å; I73-F81 HydrophobicContact CD1-CD2 3.87Å; I73-F81 HydrophobicContact CD1-CE2 3.59Å; I73-F81 HydrophobicContact CD1-CZ 4.43Å; I73-F81 HydrophobicContact CG1-CD2 3.62Å; I73-F81 HydrophobicContact CG1-CE2 3.83Å; I73-F81 HydrophobicContact CG1-CG 4.31Å; I73-L111 HydrophobicContact CD1-CD1 3.54Å; I73-L111 HydrophobicContact CD1-CD2 3.27Å; I73-L111 HydrophobicContact CD1-CG 4.02Å; I73-L111 HydrophobicContact CG1-CD2 3.92Å; I73-F176 HydrophobicContact CB-CE2 4.38Å; I73-F176 HydrophobicContact CD1-CE2 4.42Å; I73-F176 HydrophobicContact CG1-CE2 3.9Å; I73-F176 HydrophobicContact CG1-CZ 4.03Å; I73-F176 HydrophobicContact CG2-CE2 3.64Å; I73-F176 HydrophobicContact CG2-CZ 4.23Å |
| 74 | L | 73 | Confident | 76.8 | Confident | 85 Ų | 85 | 43.8 Ų | 43.8 | 45% | 0.445 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.6 | -36.5 | 176.4 | -68.8 | 175.6 | 0 | 0 | 0 | 112.1 | W19 P24 L70 W71 K76 | W19-L74 HydrophobicContact CH2-CD1 3.77Å; W19-L74 HydrophobicContact CZ3-CD1 4.12Å; P24-L74 HydrophobicContact CG-CD1 4.26Å; L70-L74 PolarHBondContact O-N 2.96Å; W71-L74 PolarHBondContact O-N 3.11Å; W71-L74 VanDerWaalsContact O-N 3.14Å; L74-K76 PolarHBondContact O-N 3.35Å |
| 75 | K | 74.4 | Confident | 76.9 | Confident | 96 Ų | 96 | 43.6 Ų | 43.6 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.8 | 174.2 | -168.2 | 167.1 | 177.9 | -175 | 0 | 113.4 | L26 W71 S72 I73 D77 | L26-K75 HydrophobicContact CD2-CB 3.61Å; L26-K75 HydrophobicContact CD2-CD 4.44Å; L26-K75 HydrophobicContact CD2-CG 3.88Å; W71-K75 HydrophobicContact CH2-CD 3.37Å; W71-K75 HydrophobicContact CZ2-CD 3.47Å; W71-K75 VanDerWaalsContact CZ2-CD 3.47Å; W71-K75 HydrophobicContact CZ3-CD 4.05Å; W71-K75 PolarHBondContact O-N 3.26Å; S72-K75 PolarHBondContact O-N 3.38Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 3.35Å; K75-D77 VanDerWaalsContact C-N 3.26Å; K75-D77 PolarHBondContact O-N 3.42Å |
| 76 | K | 72 | Confident | 77.1 | Confident | 136 Ų | 136 | 45.9 Ų | 45.9 | 59% | 0.591 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 33.2 | -177.2 | -53.1 | -179.1 | 171.6 | -171.9 | 0 | 113.2 | S72 I73 L74 I78 F175 | S72-K76 PolarHBondContact O-N 3.31Å; I73-K76 WeakPolarHBondContact O-CA 3.42Å; I73-K76 PolarHBondContact O-N 2.88Å; L74-K76 PolarHBondContact O-N 3.35Å; K76-I78 PolarHBondContact O-N 2.97Å; K76-F175 HydrophobicContact CB-CE1 4.21Å; K76-F175 HydrophobicContact CB-CE2 4.11Å; K76-F175 HydrophobicContact CB-CZ 3.61Å; K76-F175 HydrophobicContact CD-CD2 4.08Å; K76-F175 HydrophobicContact CD-CE2 3.36Å; K76-F175 HydrophobicContact CD-CZ 3.78Å; K76-F175 HydrophobicContact CG-CD2 4.12Å; K76-F175 HydrophobicContact CG-CE1 4.14Å; K76-F175 HydrophobicContact CG-CE2 3.51Å; K76-F175 HydrophobicContact CG-CZ 3.5Å |
| 77 | D | 77.8 | Confident | 77.1 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | trans | -97 | 93.4 | 179.6 | -172.5 | -6.3 | 0 | 0 | 0 | 110.4 | S72 K75 P79 S80 F81 | S72-D77 PolarHBondContact O-N 3.44Å; K75-D77 VanDerWaalsContact C-N 3.26Å; K75-D77 PolarHBondContact O-N 3.42Å; D77-P79 WeakPolarHBondContact OD1-CD 3.27Å; D77-S80 PolarHBondContact O-N 3.39Å; D77-S80 PolarHBondContact OD1-N 3.29Å; D77-S80 PolarHBondContact OD1-OG 3.15Å; D77-S80 WeakPolarHBondContact OD2-CB 3.32Å; D77-S80 PolarHBondContact OD2-OG 3.23Å; D77-F81 WeakPolarHBondContact O-CB 3.42Å; D77-F81 PolarHBondContact O-N 3.14Å | ||
| 78 | I | 75.8 | Confident | 77.1 | Confident | 71 Ų | 71 | 48.3 Ų | 48.3 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -51 | -176.6 | -67.3 | 163.2 | 0 | 0 | 0 | 111.9 | K76 S80 F81 E82 F115 | K76-I78 PolarHBondContact O-N 2.97Å; I78-S80 PolarHBondContact O-N 3.12Å; I78-F81 PolarHBondContact O-N 3.45Å; I78-E82 PolarHBondContact O-N 3.14Å; I78-E82 VanDerWaalsContact O-N 3.08Å; I78-F115 HydrophobicContact CB-CE2 4.38Å; I78-F115 HydrophobicContact CG2-CE2 3.52Å; I78-F115 HydrophobicContact CG2-CZ 3.79Å |
| 79 | P | 79.8 | Confident | 77 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 53% | 0.526 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.6 | -24.7 | 32.2 | 0 | 0 | 0 | 113.8 | D77 F81 E82 R83 | D77-P79 WeakPolarHBondContact OD1-CD 3.27Å; P79-F81 VanDerWaalsContact C-N 3.33Å; P79-E82 PolarHBondContact O-N 2.94Å; P79-R83 WeakPolarHBondContact O-CG 3.48Å; P79-R83 PolarHBondContact O-N 3.01Å |
| 80 | S | 77.8 | Confident | 76.8 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 178.3 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | D77 I78 R83 Y84 | D77-S80 PolarHBondContact O-N 3.39Å; D77-S80 PolarHBondContact OD1-N 3.29Å; D77-S80 PolarHBondContact OD1-OG 3.15Å; D77-S80 WeakPolarHBondContact OD2-CB 3.32Å; D77-S80 PolarHBondContact OD2-OG 3.23Å; I78-S80 PolarHBondContact O-N 3.12Å; S80-R83 PolarHBondContact O-N 2.89Å; S80-Y84 WeakPolarHBondContact O-CD2 3.36Å; S80-Y84 PolarHBondContact O-N 3.15Å |
| 81 | F | 80.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.8 | 175.4 | -103 | 0 | 0 | 0 | 111.9 | A69 I73 D77 I78 P79 R83 Y84 M85 L111 F115 | A69-F81 HydrophobicContact CB-CD2 4.2Å; A69-F81 HydrophobicContact CB-CE2 4.12Å; I73-F81 HydrophobicContact CD1-CD2 3.87Å; I73-F81 HydrophobicContact CD1-CE2 3.59Å; I73-F81 HydrophobicContact CD1-CZ 4.43Å; I73-F81 HydrophobicContact CG1-CD2 3.62Å; I73-F81 HydrophobicContact CG1-CE2 3.83Å; I73-F81 HydrophobicContact CG1-CG 4.31Å; D77-F81 WeakPolarHBondContact O-CB 3.42Å; D77-F81 PolarHBondContact O-N 3.14Å; I78-F81 PolarHBondContact O-N 3.45Å; P79-F81 VanDerWaalsContact C-N 3.33Å; F81-R83 VanDerWaalsContact C-N 3.31Å; F81-R83 PolarHBondContact O-N 3.31Å; F81-Y84 PolarHBondContact O-N 3.1Å; F81-M85 WeakPolarHBondContact O-CB 3.37Å; F81-M85 PolarHBondContact O-N 3.26Å; F81-L111 HydrophobicContact CE1-CD2 4.06Å; F81-L111 HydrophobicContact CE2-CD2 3.63Å; F81-L111 HydrophobicContact CZ-CD2 3.3Å; F81-F115 HydrophobicContact CD1-CD1 4.34Å; F81-F115 AromaticContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CE1 4.41Å; F81-F115 HydrophobicContact CD1-CE2 4.04Å; F81-F115 HydrophobicContact CD1-CG 4.08Å; F81-F115 HydrophobicContact CD1-CZ 4.2Å; F81-F115 HydrophobicContact CE1-CB 3.92Å; F81-F115 HydrophobicContact CE1-CD1 4.08Å; F81-F115 HydrophobicContact CE1-CD2 4.1Å; F81-F115 AromaticContact CE1-CG 3.78Å; F81-F115 HydrophobicContact CE1-CG 3.78Å |
| 82 | E | 81.2 | Confident | 76.1 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 40% | 0.397 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 177.3 | -174.2 | 178.7 | -176.9 | 0 | 0 | 111.9 | I78 P79 M85 A86 F115 | I78-E82 PolarHBondContact O-N 3.14Å; I78-E82 VanDerWaalsContact O-N 3.08Å; P79-E82 PolarHBondContact O-N 2.94Å; E82-M85 PolarHBondContact O-N 3.4Å; E82-A86 WeakPolarHBondContact O-CB 3.46Å; E82-A86 PolarHBondContact O-N 2.73Å; E82-F115 HydrophobicContact CB-CE1 4.37Å; E82-F115 HydrophobicContact CB-CZ 4.24Å |
| 83 | R | 82.8 | Confident | 75.5 | Confident | 185 Ų | 185 | 56.9 Ų | 56.9 | 70% | 0.698 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 177.5 | -67 | 177.4 | 81.4 | -179.1 | 7.8 | 112.3 | P79 S80 F81 M85 A86 Q87 | P79-R83 WeakPolarHBondContact O-CG 3.48Å; P79-R83 PolarHBondContact O-N 3.01Å; S80-R83 PolarHBondContact O-N 2.89Å; F81-R83 VanDerWaalsContact C-N 3.31Å; F81-R83 PolarHBondContact O-N 3.31Å; R83-M85 VanDerWaalsContact C-N 3.3Å; R83-A86 PolarHBondContact O-N 3.33Å; R83-Q87 WeakPolarHBondContact O-CG 3.39Å; R83-Q87 PolarHBondContact O-N 3.44Å |
| 84 | Y | 79.2 | Confident | 74.9 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 176.2 | -76 | -65.6 | 0 | 0 | 0 | 111.4 | K37 L65 S72 S80 F81 Q87 L88 | K37-Y84 VanDerWaalsContact CE-CZ 3.41Å; K37-Y84 WeakPolarHBondContact CE-OH 3.41Å; K37-Y84 PolarHBondContact NZ-OH 3.36Å; L65-Y84 HydrophobicContact CD2-CD1 3.81Å; L65-Y84 HydrophobicContact CD2-CE1 4.08Å; S72-Y84 WeakPolarHBondContact OG-CD2 3.44Å; S72-Y84 WeakPolarHBondContact OG-CE2 3.32Å; S80-Y84 WeakPolarHBondContact O-CD2 3.36Å; S80-Y84 PolarHBondContact O-N 3.15Å; F81-Y84 PolarHBondContact O-N 3.1Å; Y84-Q87 PolarHBondContact O-N 3.14Å; Y84-L88 WeakPolarHBondContact O-CB 3.28Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.3Å; Y84-L88 PolarHBondContact O-N 3.41Å |
| 85 | M | 78.2 | Confident | 74 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 178 | -169.5 | 65.1 | -164.2 | 0 | 0 | 111.9 | F81 E82 R83 Q87 L88 K89 L108 L109 N112 | F81-M85 WeakPolarHBondContact O-CB 3.37Å; F81-M85 PolarHBondContact O-N 3.26Å; E82-M85 PolarHBondContact O-N 3.4Å; R83-M85 VanDerWaalsContact C-N 3.3Å; M85-Q87 VanDerWaalsContact C-N 3.29Å; M85-Q87 PolarHBondContact O-N 3.18Å; M85-L88 PolarHBondContact O-N 3.26Å; M85-K89 HydrophobicContact CE-CG 4.07Å; M85-K89 VanDerWaalsContact O-CG 3.29Å; M85-K89 WeakPolarHBondContact O-CG 3.32Å; M85-K89 PolarHBondContact O-N 3.3Å; M85-L108 HydrophobicContact SD-CD2 4.25Å; M85-L109 HydrophobicContact CE-CD1 4.2Å; M85-N112 HydrophobicContact CE-CB 3.38Å; M85-N112 HydrophobicContact CG-CB 4.04Å; M85-N112 WeakPolarHBondContact CG-OD1 3.41Å; M85-N112 HydrophobicContact SD-CB 3.78Å |
| 86 | A | 78.6 | Confident | 73.1 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E82 R83 C90 | E82-A86 WeakPolarHBondContact O-CB 3.46Å; E82-A86 PolarHBondContact O-N 2.73Å; R83-A86 PolarHBondContact O-N 3.33Å; A86-C90 PolarHBondContact O-N 3.06Å; A86-C90 PolarHBondContact O-SG 2.7Å |
| 87 | Q | 77.3 | Confident | 72.1 | Confident | 85 Ų | 85 | 62.2 Ų | 62.2 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 175.4 | -69.1 | 175.8 | -11.3 | 0 | 0 | 111.8 | R83 Y84 M85 K89 C90 Y91 | R83-Q87 WeakPolarHBondContact O-CG 3.39Å; R83-Q87 PolarHBondContact O-N 3.44Å; Y84-Q87 PolarHBondContact O-N 3.14Å; M85-Q87 VanDerWaalsContact C-N 3.29Å; M85-Q87 PolarHBondContact O-N 3.18Å; Q87-K89 VanDerWaalsContact C-N 3.3Å; Q87-K89 PolarHBondContact O-N 3.1Å; Q87-C90 WeakPolarHBondContact O-CB 3.2Å; Q87-C90 PolarHBondContact O-N 2.7Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.03Å; Q87-Y91 PolarHBondContact O-N 3.38Å |
| 88 | L | 76.6 | Confident | 70.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 178 | -77.8 | 167.4 | 0 | 0 | 0 | 112.7 | R62 L65 E66 A69 Y84 M85 C90 Y91 Y92 L108 | R62-L88 HydrophobicContact CG-CD2 4.32Å; L65-L88 HydrophobicContact CB-CD1 4.35Å; L65-L88 HydrophobicContact CB-CD2 3.53Å; L65-L88 HydrophobicContact CB-CG 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.43Å; E66-L88 HydrophobicContact CG-CD2 4.01Å; A69-L88 HydrophobicContact CB-CD1 4.07Å; Y84-L88 WeakPolarHBondContact O-CB 3.28Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.3Å; Y84-L88 PolarHBondContact O-N 3.41Å; M85-L88 PolarHBondContact O-N 3.26Å; L88-C90 VanDerWaalsContact C-N 3.35Å; L88-C90 PolarHBondContact O-N 3.04Å; L88-Y91 PolarHBondContact O-N 3.02Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; L88-Y92 HydrophobicContact CB-CD2 4.33Å; L88-Y92 HydrophobicContact CB-CE2 3.91Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; L88-Y92 PolarHBondContact O-N 3.29Å; L88-L108 HydrophobicContact CD1-CD2 3.35Å |
| 89 | K | 72.7 | Confident | 69.3 | Low | 39 Ų | 39 | 63.1 Ų | 63.1 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.6 | -49.9 | 173.5 | -75.7 | 172.6 | 179.8 | -171.4 | 0 | 110.2 | M85 Q87 Y91 Y92 F93 E128 | M85-K89 HydrophobicContact CE-CG 4.07Å; M85-K89 VanDerWaalsContact O-CG 3.29Å; M85-K89 WeakPolarHBondContact O-CG 3.32Å; M85-K89 PolarHBondContact O-N 3.3Å; Q87-K89 VanDerWaalsContact C-N 3.3Å; Q87-K89 PolarHBondContact O-N 3.1Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.04Å; K89-Y92 PolarHBondContact O-N 3.14Å; K89-F93 HydrophobicContact CB-CD2 4.34Å; K89-F93 HydrophobicContact CB-CE2 4.14Å; K89-F93 HydrophobicContact CG-CE2 4.41Å; K89-F93 WeakPolarHBondContact O-CD2 3.49Å; K89-F93 PolarHBondContact O-N 3.41Å; K89-E128 VanDerWaalsContact CE-OE1 3.27Å; K89-E128 WeakPolarHBondContact CE-OE1 3.46Å; K89-E128 IonicContact NZ-OE1 3.41Å; K89-E128 PolarHBondContact NZ-OE1 3.37Å |
| 90 | C | 71.9 | Confident | 67.7 | Low | 70 Ų | 70 | 64 Ų | 64 | 47% | 0.473 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -53.9 | -43.7 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 112 | A86 Q87 L88 Y92 F93 D94 | A86-C90 PolarHBondContact O-N 3.06Å; A86-C90 PolarHBondContact O-SG 2.7Å; Q87-C90 WeakPolarHBondContact O-CB 3.2Å; Q87-C90 PolarHBondContact O-N 2.7Å; L88-C90 VanDerWaalsContact C-N 3.35Å; L88-C90 PolarHBondContact O-N 3.04Å; C90-Y92 PolarHBondContact O-N 3.26Å; C90-F93 PolarHBondContact O-N 2.83Å; C90-D94 WeakPolarHBondContact O-CB 3.45Å; C90-D94 VanDerWaalsContact O-CG 3.28Å; C90-D94 PolarHBondContact O-N 3.29Å |
| 91 | Y | 68.6 | Low | 66.5 | Low | 28 Ų | 28 | 66 Ų | 66 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 177 | -67 | -71.9 | 0 | 0 | 0 | 114.3 | F45 L58 L65 Q87 L88 K89 Y95 | F45-Y91 WeakPolarHBondContact CD1-OH 3.04Å; F45-Y91 WeakPolarHBondContact CE1-OH 2.95Å; L58-Y91 HydrophobicContact CD2-CD1 4.45Å; L58-Y91 HydrophobicContact CD2-CE1 4.04Å; L65-Y91 HydrophobicContact CD1-CD2 3.77Å; L65-Y91 HydrophobicContact CD1-CE2 3.3Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.03Å; Q87-Y91 PolarHBondContact O-N 3.38Å; L88-Y91 PolarHBondContact O-N 3.02Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.04Å; Y91-Y95 HydrophobicContact CD1-CD2 4.15Å; Y91-Y95 AromaticContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE2 4.41Å |
| 92 | Y | 68.3 | Low | 65.2 | Low | 19 Ų | 19 | 66.8 Ų | 66.8 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -77.2 | -23.5 | 178.7 | -66.5 | -47.7 | 0 | 0 | 0 | 113.9 | R62 E66 L88 K89 C90 K96 M105 | R62-Y92 HydrophobicContact CG-CE1 4.48Å; E66-Y92 PolarHBondContact OE1-OH 3.15Å; E66-Y92 VanDerWaalsContact OE1-OH 3.06Å; L88-Y92 HydrophobicContact CB-CD2 4.33Å; L88-Y92 HydrophobicContact CB-CE2 3.91Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; L88-Y92 PolarHBondContact O-N 3.29Å; K89-Y92 PolarHBondContact O-N 3.14Å; C90-Y92 PolarHBondContact O-N 3.26Å; Y92-K96 WeakPolarHBondContact O-CG 3.18Å; Y92-M105 HydrophobicContact CD1-CG 3.78Å; Y92-M105 HydrophobicContact CD1-SD 3.68Å; Y92-M105 HydrophobicContact CE1-CB 3.99Å; Y92-M105 HydrophobicContact CE1-CG 3.47Å; Y92-M105 VanDerWaalsContact CE1-CG 3.47Å; Y92-M105 HydrophobicContact CE1-SD 3.91Å; Y92-M105 HydrophobicContact CE2-CG 4.39Å; Y92-M105 HydrophobicContact CG-CG 4.37Å; Y92-M105 HydrophobicContact CG-SD 4.38Å |
| 93 | F | 63.3 | Low | 64 | Low | 58 Ų | 58 | 66.7 Ų | 66.7 | 25% | 0.254 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -94.5 | -41.6 | 178.9 | -66.9 | -68 | 0 | 0 | 0 | 112.9 | K89 C90 Y95 R131 | K89-F93 HydrophobicContact CB-CD2 4.34Å; K89-F93 HydrophobicContact CB-CE2 4.14Å; K89-F93 HydrophobicContact CG-CE2 4.41Å; K89-F93 WeakPolarHBondContact O-CD2 3.49Å; K89-F93 PolarHBondContact O-N 3.41Å; C90-F93 PolarHBondContact O-N 2.83Å; F93-Y95 VanDerWaalsContact C-N 3.32Å; F93-Y95 PolarHBondContact O-N 3.48Å; F93-R131 HydrophobicContact CD1-CG 4.19Å; F93-R131 VanDerWaalsContact CE1-CD 3.4Å; F93-R131 HydrophobicContact CE1-CG 3.41Å; F93-R131 VanDerWaalsContact CE1-CG 3.41Å; F93-R131 HydrophobicContact CZ-CG 3.86Å |
| 94 | D | 62.3 | Low | 63 | Low | 105 Ų | 105 | 64.7 Ų | 64.7 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -76.1 | -21.8 | -174.4 | -61.7 | -25.6 | 0 | 0 | 0 | 112.6 | C90 | C90-D94 WeakPolarHBondContact O-CB 3.45Å; C90-D94 VanDerWaalsContact O-CG 3.28Å; C90-D94 PolarHBondContact O-N 3.29Å |
| 95 | Y | 56 | Low | 62.4 | Low | 38 Ų | 38 | 66 Ų | 66 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 21.6 | -175.2 | -60.9 | -81.6 | 0 | 0 | 0 | 114.8 | L58 Y91 F93 D97 E98 L99 | L58-Y95 HydrophobicContact CD1-CD1 4.07Å; L58-Y95 HydrophobicContact CD1-CE1 3.37Å; L58-Y95 HydrophobicContact CD1-CE2 4.46Å; L58-Y95 HydrophobicContact CD2-CE1 4.38Å; L58-Y95 HydrophobicContact CD2-CE2 4.05Å; L58-Y95 WeakPolarHBondContact CD2-OH 3.36Å; L58-Y95 HydrophobicContact CG-CE1 4.47Å; Y91-Y95 HydrophobicContact CD1-CD2 4.15Å; Y91-Y95 AromaticContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE2 4.41Å; F93-Y95 VanDerWaalsContact C-N 3.32Å; F93-Y95 PolarHBondContact O-N 3.48Å; Y95-D97 PolarHBondContact O-N 3.15Å; Y95-D97 VanDerWaalsContact O-N 3.14Å; Y95-E98 PolarHBondContact O-N 3.44Å; Y95-L99 VanDerWaalsContact CB-CD1 3.41Å; Y95-L99 HydrophobicContact CG-CD1 4.2Å; Y95-L99 PolarHBondContact O-N 3.29Å |
| 96 | K | 54.2 | Low | 62.1 | Low | 124 Ų | 124 | 67.2 Ų | 67.2 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31.1 | 177.4 | -77.4 | -167.8 | 170.7 | 177.7 | 0 | 113.4 | Y92 | Y92-K96 WeakPolarHBondContact O-CG 3.18Š|
| 97 | D | 51.8 | Low | 61.9 | Low | 169 Ų | 169 | 66.3 Ų | 66.3 | 90% | 0.904 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -15.2 | -175.9 | -68.6 | -53.4 | 0 | 0 | 0 | 114.4 | Y95 | Y95-D97 PolarHBondContact O-N 3.15Å; Y95-D97 VanDerWaalsContact O-N 3.14Å |
| 98 | E | 45 | Very low | 61.8 | Low | 102 Ų | 102 | 62.4 Ų | 62.4 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -9.7 | -173.8 | -71.4 | -137.7 | 132.2 | 0 | 0 | 115.4 | K55 Y95 | K55-E98 VanDerWaalsContact CE-CD 3.47Å; K55-E98 WeakPolarHBondContact CE-OE1 3.39Å; K55-E98 WeakPolarHBondContact CE-OE2 3.4Å; K55-E98 IonicContact NZ-OE1 2.73Å; K55-E98 PolarHBondContact NZ-OE1 3.47Å; K55-E98 IonicContact NZ-OE2 3.26Å; K55-E98 PolarHBondContact NZ-OE2 2.98Å; Y95-E98 PolarHBondContact O-N 3.44Å |
| 99 | L | 49 | Very low | 61.8 | Low | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -118.2 | 134.4 | -172.2 | -76.5 | 157.5 | 0 | 0 | 0 | 112.5 | I59 Y95 A101 | I59-L99 HydrophobicContact CD1-CD2 3.92Å; I59-L99 HydrophobicContact CG1-CD2 3.24Å; Y95-L99 VanDerWaalsContact CB-CD1 3.41Å; Y95-L99 HydrophobicContact CG-CD1 4.2Å; Y95-L99 PolarHBondContact O-N 3.29Å; L99-A101 PolarHBondContact O-N 3.46Å |
| 100 | P | 47.5 | Very low | 62.1 | Low | 101 Ų | 101 | 61.5 Ų | 61.5 | 66% | 0.656 | 33% | 0.333 | S | S | * | . | trans | -63.8 | 135.6 | 165.4 | 26.2 | -31 | 0 | 0 | 0 | 109.7 | A102 | P100-A102 PolarHBondContact O-N 3.09Å; P100-A102 VanDerWaalsContact O-N 3.07Å | ||
| 101 | A | 51.5 | Low | 62.5 | Low | 75 Ų | 75 | 58.1 Ų | 58.1 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | trans | -58.8 | 112.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L99 | L99-A101 PolarHBondContact O-N 3.46Š| ||
| 102 | A | 52.7 | Low | 63.2 | Low | 18 Ų | 18 | 57 Ų | 57 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | trans | -69.3 | 138.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110 | P100 Y104 M105 | P100-A102 PolarHBondContact O-N 3.09Å; P100-A102 VanDerWaalsContact O-N 3.07Å; A102-Y104 PolarHBondContact O-N 3.08Å; A102-M105 HydrophobicContact CB-CB 4.4Å; A102-M105 VanDerWaalsContact O-CB 3.22Å; A102-M105 WeakPolarHBondContact O-CB 3.34Å; A102-M105 PolarHBondContact O-N 3.27Å | ||
| 103 | A | 55.8 | Low | 63.8 | Low | 83 Ų | 83 | 56.1 Ų | 56.1 | 69% | 0.686 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.4 | -31.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 104 | Y | 62.2 | Low | 64.6 | Low | 142 Ų | 142 | 53.5 Ų | 53.5 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -78.1 | -18.7 | 177.9 | -68.3 | -69.8 | 0 | 0 | 0 | 114.6 | A102 H106 Q107 L108 | A102-Y104 PolarHBondContact O-N 3.08Å; Y104-H106 VanDerWaalsContact C-N 3.27Å; Y104-H106 PolarHBondContact O-N 2.83Å; Y104-Q107 PolarHBondContact O-N 3.43Å; Y104-Q107 VanDerWaalsContact O-N 3.15Å; Y104-L108 PolarHBondContact O-N 2.94Å |
| 105 | M | 67.3 | Low | 65.6 | Low | 40 Ų | 40 | 48.8 Ų | 48.8 | 20% | 0.197 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.2 | -47 | 178.3 | -179.6 | 178.8 | 93.5 | 0 | 0 | 110.8 | Y92 A102 L108 L109 | Y92-M105 HydrophobicContact CD1-CG 3.78Å; Y92-M105 HydrophobicContact CD1-SD 3.68Å; Y92-M105 HydrophobicContact CE1-CB 3.99Å; Y92-M105 HydrophobicContact CE1-CG 3.47Å; Y92-M105 VanDerWaalsContact CE1-CG 3.47Å; Y92-M105 HydrophobicContact CE1-SD 3.91Å; Y92-M105 HydrophobicContact CE2-CG 4.39Å; Y92-M105 HydrophobicContact CG-CG 4.37Å; Y92-M105 HydrophobicContact CG-SD 4.38Å; A102-M105 HydrophobicContact CB-CB 4.4Å; A102-M105 VanDerWaalsContact O-CB 3.22Å; A102-M105 WeakPolarHBondContact O-CB 3.34Å; A102-M105 PolarHBondContact O-N 3.27Å; M105-L108 PolarHBondContact O-N 3.32Å; M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 PolarHBondContact O-N 3.48Å |
| 106 | H | 71.1 | Confident | 66.9 | Low | 27 Ų | 27 | 47.1 Ų | 47.1 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.1 | -35 | -178.7 | -54.4 | 92.7 | 0 | 0 | 0 | 112.7 | Y104 G110 N140 I143 | Y104-H106 VanDerWaalsContact C-N 3.27Å; Y104-H106 PolarHBondContact O-N 2.83Å; H106-G110 PolarHBondContact O-N 3.36Å; H106-N140 WeakPolarHBondContact CB-ND2 3.28Å; H106-I143 HydrophobicContact CB-CD1 4Å; H106-I143 HydrophobicContact CB-CG1 4.39Å |
| 107 | Q | 74 | Confident | 68.2 | Low | 33 Ų | 33 | 41.5 Ų | 41.5 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.1 | -175.3 | -178.6 | -8.5 | 0 | 0 | 110.6 | Y104 L111 Y173 | Y104-Q107 PolarHBondContact O-N 3.43Å; Y104-Q107 VanDerWaalsContact O-N 3.15Å; Q107-L111 WeakPolarHBondContact O-CB 3.29Å; Q107-L111 PolarHBondContact O-N 3.41Å; Q107-Y173 WeakPolarHBondContact CA-OH 3.48Å; Q107-Y173 PolarHBondContact O-OH 3.28Å |
| 108 | L | 76.3 | Confident | 69.5 | Low | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.7 | -36.7 | 179.5 | -142.2 | 93.4 | 0 | 0 | 0 | 112 | E66 A69 L70 M85 L88 Y104 M105 L111 N112 | E66-L108 HydrophobicContact CG-CD2 4.5Å; A69-L108 HydrophobicContact CB-CD1 4.36Å; A69-L108 HydrophobicContact CB-CD2 4.2Å; L70-L108 HydrophobicContact CD2-CD1 3.93Å; L70-L108 HydrophobicContact CG-CD1 3.95Å; M85-L108 HydrophobicContact SD-CD2 4.25Å; L88-L108 HydrophobicContact CD1-CD2 3.35Å; Y104-L108 PolarHBondContact O-N 2.94Å; M105-L108 PolarHBondContact O-N 3.32Å; L108-L111 VanDerWaalsContact O-CB 3.32Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.03Å; L108-N112 PolarHBondContact O-N 3.15Å |
| 109 | L | 76.3 | Confident | 71.3 | Confident | 19 Ų | 19 | 32.1 Ų | 32.1 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -44.5 | 175.4 | -169.3 | 59.2 | 0 | 0 | 0 | 111.5 | M85 M105 L111 N112 L113 L132 I143 | M85-L109 HydrophobicContact CE-CD1 4.2Å; M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 PolarHBondContact O-N 3.48Å; L109-L111 PolarHBondContact O-N 3.06Å; L109-N112 WeakPolarHBondContact O-CB 3.2Å; L109-N112 PolarHBondContact O-N 2.7Å; L109-N112 VanDerWaalsContact O-N 3.17Å; L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.05Å; L109-L132 HydrophobicContact CD1-CD1 4.27Å; L109-L132 HydrophobicContact CD2-CD1 3.83Å; L109-L132 HydrophobicContact CD2-CD2 3.41Å; L109-L132 VanDerWaalsContact CD2-CD2 3.41Å; L109-L132 HydrophobicContact CD2-CG 3.67Å; L109-L132 HydrophobicContact CG-CD1 4.24Å; L109-L132 HydrophobicContact CG-CD2 4.07Å; L109-I143 HydrophobicContact CD2-CD1 4.5Å |
| 110 | G | 78.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -34.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H106 L113 L114 | H106-G110 PolarHBondContact O-N 3.36Å; G110-L113 PolarHBondContact O-N 3.35Å; G110-L114 PolarHBondContact O-N 3.42Å |
| 111 | L | 80.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.7 | -41.6 | 175.1 | -155.5 | 140.4 | 0 | 0 | 0 | 112.4 | I73 F81 Q107 L108 L109 L113 L114 F115 Y173 F176 | I73-L111 HydrophobicContact CD1-CD1 3.54Å; I73-L111 HydrophobicContact CD1-CD2 3.27Å; I73-L111 HydrophobicContact CD1-CG 4.02Å; I73-L111 HydrophobicContact CG1-CD2 3.92Å; F81-L111 HydrophobicContact CE1-CD2 4.06Å; F81-L111 HydrophobicContact CE2-CD2 3.63Å; F81-L111 HydrophobicContact CZ-CD2 3.3Å; Q107-L111 WeakPolarHBondContact O-CB 3.29Å; Q107-L111 PolarHBondContact O-N 3.41Å; L108-L111 VanDerWaalsContact O-CB 3.32Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.03Å; L109-L111 PolarHBondContact O-N 3.06Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.32Å; L111-L114 PolarHBondContact O-N 2.95Å; L111-F115 WeakPolarHBondContact O-CB 3.37Å; L111-F115 PolarHBondContact O-N 3.22Å; L111-Y173 HydrophobicContact CB-CD1 4.33Å; L111-Y173 HydrophobicContact CB-CE1 3.73Å; L111-Y173 HydrophobicContact CD1-CD1 3.85Å; L111-Y173 HydrophobicContact CD1-CE1 3.81Å; L111-Y173 HydrophobicContact CG-CD1 4.06Å; L111-Y173 HydrophobicContact CG-CE1 3.95Å; L111-F176 HydrophobicContact CD1-CE2 4.45Å; L111-F176 HydrophobicContact CD2-CD2 4.06Å; L111-F176 HydrophobicContact CD2-CE2 3.45Å; L111-F176 VanDerWaalsContact CD2-CE2 3.45Å; L111-F176 HydrophobicContact CD2-CZ 4.05Å; L111-F176 HydrophobicContact CG-CD2 4.21Å; L111-F176 HydrophobicContact CG-CE2 4.02Å |
| 112 | N | 82.9 | Confident | 75.8 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 172.7 | 175.7 | 61.4 | 0 | 0 | 0 | 111.9 | M85 L108 L109 F115 L116 | M85-N112 HydrophobicContact CE-CB 3.38Å; M85-N112 HydrophobicContact CG-CB 4.04Å; M85-N112 WeakPolarHBondContact CG-OD1 3.41Å; M85-N112 HydrophobicContact SD-CB 3.78Å; L108-N112 PolarHBondContact O-N 3.15Å; L109-N112 WeakPolarHBondContact O-CB 3.2Å; L109-N112 PolarHBondContact O-N 2.7Å; L109-N112 VanDerWaalsContact O-N 3.17Å; N112-F115 WeakPolarHBondContact O-CB 3.45Å; N112-F115 PolarHBondContact O-N 3.1Å; N112-L116 WeakPolarHBondContact O-CG 3.43Å; N112-L116 PolarHBondContact O-N 3.48Å |
| 113 | L | 81.4 | Confident | 77.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.2 | -71.7 | 177.5 | 0 | 0 | 0 | 111.4 | L109 G110 L111 F115 L116 L117 F125 E128 I143 P146 | L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.05Å; G110-L113 PolarHBondContact O-N 3.35Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.32Å; L113-F115 VanDerWaalsContact C-N 3.31Å; L113-F115 PolarHBondContact O-N 3.21Å; L113-L116 PolarHBondContact O-N 3.47Å; L113-L117 WeakPolarHBondContact O-CG 3Å; L113-L117 PolarHBondContact O-N 3.23Å; L113-L117 VanDerWaalsContact O-N 3.14Å; L113-F125 HydrophobicContact CB-CD2 4.12Å; L113-F125 HydrophobicContact CB-CE2 3.73Å; L113-F125 HydrophobicContact CD2-CD2 3.7Å; L113-F125 HydrophobicContact CD2-CE2 3.77Å; L113-F125 HydrophobicContact CD2-CG 4.39Å; L113-F125 HydrophobicContact CD2-CZ 4.45Å; L113-F125 HydrophobicContact CG-CD2 4.48Å; L113-F125 HydrophobicContact CG-CE2 4.2Å; L113-E128 HydrophobicContact CD2-CB 4.34Å; L113-I143 HydrophobicContact CD1-CG2 4.1Å; L113-P146 HydrophobicContact CB-CB 4.02Å |
| 114 | L | 81.1 | Confident | 78.5 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -37 | 173.8 | -72.6 | 171.8 | 0 | 0 | 0 | 112.9 | G110 L111 L117 S118 P146 L149 Y173 F176 I177 | G110-L114 PolarHBondContact O-N 3.42Å; L111-L114 PolarHBondContact O-N 2.95Å; L114-L117 HydrophobicContact CD2-CD1 4.48Å; L114-L117 PolarHBondContact O-N 3.32Å; L114-S118 PolarHBondContact O-N 2.9Å; L114-P146 HydrophobicContact CD1-CG 4.35Å; L114-P146 HydrophobicContact CD2-CB 4.09Å; L114-P146 HydrophobicContact CD2-CG 4.13Å; L114-P146 HydrophobicContact CG-CB 4.17Å; L114-P146 HydrophobicContact CG-CG 3.86Å; L114-L149 HydrophobicContact CD2-CD2 3.75Å; L114-Y173 HydrophobicContact CD1-CD1 3.52Å; L114-Y173 HydrophobicContact CD1-CD2 4.23Å; L114-Y173 HydrophobicContact CD1-CE1 4.08Å; L114-Y173 HydrophobicContact CD1-CG 3.62Å; L114-F176 HydrophobicContact CB-CB 4.29Å; L114-I177 HydrophobicContact CD2-CD1 3.81Å |
| 115 | F | 82.9 | Confident | 79.6 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.022 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 175.7 | 173.9 | -108.1 | 0 | 0 | 0 | 111.7 | I78 F81 E82 L111 N112 L113 L117 S118 Q119 F176 | I78-F115 HydrophobicContact CB-CE2 4.38Å; I78-F115 HydrophobicContact CG2-CE2 3.52Å; I78-F115 HydrophobicContact CG2-CZ 3.79Å; F81-F115 HydrophobicContact CD1-CD1 4.34Å; F81-F115 AromaticContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CE1 4.41Å; F81-F115 HydrophobicContact CD1-CE2 4.04Å; F81-F115 HydrophobicContact CD1-CG 4.08Å; F81-F115 HydrophobicContact CD1-CZ 4.2Å; F81-F115 HydrophobicContact CE1-CB 3.92Å; F81-F115 HydrophobicContact CE1-CD1 4.08Å; F81-F115 HydrophobicContact CE1-CD2 4.1Å; F81-F115 AromaticContact CE1-CG 3.78Å; F81-F115 HydrophobicContact CE1-CG 3.78Å; E82-F115 HydrophobicContact CB-CE1 4.37Å; E82-F115 HydrophobicContact CB-CZ 4.24Å; L111-F115 WeakPolarHBondContact O-CB 3.37Å; L111-F115 PolarHBondContact O-N 3.22Å; N112-F115 WeakPolarHBondContact O-CB 3.45Å; N112-F115 PolarHBondContact O-N 3.1Å; L113-F115 VanDerWaalsContact C-N 3.31Å; L113-F115 PolarHBondContact O-N 3.21Å; F115-L117 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.23Å; F115-S118 PolarHBondContact O-N 3.37Å; F115-S118 VanDerWaalsContact O-N 3.15Å; F115-S118 PolarHBondContact O-OG 2.92Å; F115-Q119 VanDerWaalsContact CE2-NE2 3.29Å; F115-Q119 PolarHBondContact O-N 3.46Å; F115-Q119 VanDerWaalsContact O-N 3.14Å; F115-F176 HydrophobicContact CB-CE1 4.39Å; F115-F176 HydrophobicContact CD2-CD1 4.25Å; F115-F176 AromaticContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CZ 4.38Å; F115-F176 HydrophobicContact CE2-CE1 4.44Å |
| 116 | L | 81.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 177.3 | -67.4 | 172 | 0 | 0 | 0 | 112 | N112 L113 Q119 N120 R121 E124 F125 E128 | N112-L116 WeakPolarHBondContact O-CG 3.43Å; N112-L116 PolarHBondContact O-N 3.48Å; L113-L116 PolarHBondContact O-N 3.47Å; L116-Q119 PolarHBondContact O-N 2.82Å; L116-N120 PolarHBondContact O-N 2.9Å; L116-R121 PolarHBondContact O-N 3.28Å; L116-E124 HydrophobicContact CD1-CB 4.4Å; L116-E124 HydrophobicContact CD2-CB 4.02Å; L116-E124 WeakPolarHBondContact CD2-OE2 3.35Å; L116-F125 HydrophobicContact CB-CB 4.28Å; L116-E128 HydrophobicContact CD1-CB 4.49Å; L116-E128 HydrophobicContact CD1-CG 4.12Å |
| 117 | L | 82 | Confident | 81 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.7 | -67.3 | 173.4 | 0 | 0 | 0 | 112 | L113 L114 F115 Q119 N120 F125 E150 L180 | L113-L117 WeakPolarHBondContact O-CG 3Å; L113-L117 PolarHBondContact O-N 3.23Å; L113-L117 VanDerWaalsContact O-N 3.14Å; L114-L117 HydrophobicContact CD2-CD1 4.48Å; L114-L117 PolarHBondContact O-N 3.32Å; F115-L117 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.23Å; L117-Q119 PolarHBondContact O-N 3.29Å; L117-N120 PolarHBondContact O-N 3.28Å; L117-F125 HydrophobicContact CD1-CD2 4.3Å; L117-F125 HydrophobicContact CD1-CE2 3.79Å; L117-F125 HydrophobicContact CD1-CZ 4.43Å; L117-F125 HydrophobicContact CD2-CD2 3.9Å; L117-F125 HydrophobicContact CD2-CE2 4.04Å; L117-F125 HydrophobicContact CD2-CG 4.23Å; L117-F125 HydrophobicContact CG-CD2 3.8Å; L117-F125 HydrophobicContact CG-CE2 3.81Å; L117-E150 HydrophobicContact CD1-CB 4.05Å; L117-E150 HydrophobicContact CD2-CB 3.92Å; L117-E150 HydrophobicContact CD2-CG 3.52Å; L117-L180 HydrophobicContact CB-CD1 4.24Å; L117-L180 WeakPolarHBondContact O-CD1 3.43Å |
| 118 | S | 79.9 | Confident | 81.2 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -25.2 | 178.5 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | L114 F115 N120 | L114-S118 PolarHBondContact O-N 2.9Å; F115-S118 PolarHBondContact O-N 3.37Å; F115-S118 VanDerWaalsContact O-N 3.15Å; F115-S118 PolarHBondContact O-OG 2.92Å; S118-N120 VanDerWaalsContact C-N 3.34Å |
| 119 | Q | 82.1 | Confident | 81.4 | Confident | 57 Ų | 57 | 37 Ų | 37 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 4 | 174.6 | -65.2 | -160.3 | 10.3 | 0 | 0 | 113.9 | F115 L116 L117 R121 | F115-Q119 VanDerWaalsContact CE2-NE2 3.29Å; F115-Q119 PolarHBondContact O-N 3.46Å; F115-Q119 VanDerWaalsContact O-N 3.14Å; L116-Q119 PolarHBondContact O-N 2.82Å; L117-Q119 PolarHBondContact O-N 3.29Å; Q119-R121 HydrophobicContact CB-CG 4.03Å; Q119-R121 PolarHBondContact O-N 3.3Å |
| 120 | N | 79.5 | Confident | 81.6 | Confident | 106 Ų | 106 | 44 Ų | 44 | 57% | 0.567 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 27.9 | -174.1 | -158.3 | 19 | 0 | 0 | 0 | 113.6 | L116 L117 S118 V122 | L116-N120 PolarHBondContact O-N 2.9Å; L117-N120 PolarHBondContact O-N 3.28Å; S118-N120 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.49Å |
| 121 | R | 82.6 | Confident | 81.4 | Confident | 97 Ų | 97 | 48.5 Ų | 48.5 | 37% | 0.366 | 25% | 0.245 | S | C | . | . | trans | -96 | 67.6 | 177.8 | -62.4 | -164.5 | -166.9 | 177.7 | 9.9 | 111 | L116 Q119 S123 E124 F125 | L116-R121 PolarHBondContact O-N 3.28Å; Q119-R121 HydrophobicContact CB-CG 4.03Å; Q119-R121 PolarHBondContact O-N 3.3Å; R121-S123 VanDerWaalsContact C-N 3.29Å; R121-S123 PolarHBondContact O-N 3.14Å; R121-E124 HydrophobicContact CB-CB 4.33Å; R121-E124 HydrophobicContact CB-CG 4.46Å; R121-E124 VanDerWaalsContact CD-OE1 3.26Å; R121-E124 WeakPolarHBondContact CD-OE1 3.22Å; R121-E124 IonicContact CZ-OE1 3.59Å; R121-E124 IonicContact NE-OE1 2.72Å; R121-E124 IonicContact NH1-OE1 3.91Å; R121-E124 PolarHBondContact NH1-OE1 3.45Å; R121-E124 IonicContact NH1-OE2 2.68Å; R121-E124 PolarHBondContact O-N 3.18Å; R121-F125 PolarHBondContact O-N 3Å | ||
| 122 | V | 80.7 | Confident | 80.9 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.4 | -33.3 | -176.7 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | N120 F125 H126 | N120-V122 PolarHBondContact O-N 3.49Å; V122-F125 VanDerWaalsContact O-CB 3.32Å; V122-F125 WeakPolarHBondContact O-CB 3.2Å; V122-F125 PolarHBondContact O-N 3.37Å; V122-H126 WeakPolarHBondContact CG1-NE2 3.2Å; V122-H126 PolarHBondContact O-CD2 2.89Å; V122-H126 VanDerWaalsContact O-CD2 3.3Å; V122-H126 PolarHBondContact O-N 3.38Å |
| 123 | S | 83.4 | Confident | 80 | Confident | 97 Ų | 97 | 52.2 Ų | 52.2 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 177.8 | -48.3 | 0 | 0 | 0 | 0 | 112.6 | R121 F125 H126 T127 | R121-S123 VanDerWaalsContact C-N 3.29Å; R121-S123 PolarHBondContact O-N 3.14Å; S123-F125 VanDerWaalsContact C-N 3.25Å; S123-F125 PolarHBondContact O-N 3.07Å; S123-H126 PolarHBondContact O-N 2.93Å; S123-T127 PolarHBondContact O-N 2.88Å; S123-T127 VanDerWaalsContact O-N 3.13Å; S123-T127 PolarHBondContact O-OG1 3.29Å; S123-T127 VanDerWaalsContact O-OG1 3.1Å |
| 124 | E | 82.8 | Confident | 79.1 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.8 | -32.6 | 176.4 | -68.7 | -179.4 | -160.5 | 0 | 0 | 111.4 | L116 R121 E128 | L116-E124 HydrophobicContact CD1-CB 4.4Å; L116-E124 HydrophobicContact CD2-CB 4.02Å; L116-E124 WeakPolarHBondContact CD2-OE2 3.35Å; R121-E124 HydrophobicContact CB-CB 4.33Å; R121-E124 HydrophobicContact CB-CG 4.46Å; R121-E124 VanDerWaalsContact CD-OE1 3.26Å; R121-E124 WeakPolarHBondContact CD-OE1 3.22Å; R121-E124 IonicContact CZ-OE1 3.59Å; R121-E124 IonicContact NE-OE1 2.72Å; R121-E124 IonicContact NH1-OE1 3.91Å; R121-E124 PolarHBondContact NH1-OE1 3.45Å; R121-E124 IonicContact NH1-OE2 2.68Å; R121-E124 PolarHBondContact O-N 3.18Å; E124-E128 WeakPolarHBondContact O-CB 3.42Å; E124-E128 WeakPolarHBondContact O-CG 3.3Å; E124-E128 PolarHBondContact O-N 3.02Å |
| 125 | F | 85.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 174.5 | 177.1 | -85.2 | 0 | 0 | 0 | 111.7 | L113 L116 L117 R121 V122 S123 E128 L129 V147 E150 | L113-F125 HydrophobicContact CB-CD2 4.12Å; L113-F125 HydrophobicContact CB-CE2 3.73Å; L113-F125 HydrophobicContact CD2-CD2 3.7Å; L113-F125 HydrophobicContact CD2-CE2 3.77Å; L113-F125 HydrophobicContact CD2-CG 4.39Å; L113-F125 HydrophobicContact CD2-CZ 4.45Å; L113-F125 HydrophobicContact CG-CD2 4.48Å; L113-F125 HydrophobicContact CG-CE2 4.2Å; L116-F125 HydrophobicContact CB-CB 4.28Å; L117-F125 HydrophobicContact CD1-CD2 4.3Å; L117-F125 HydrophobicContact CD1-CE2 3.79Å; L117-F125 HydrophobicContact CD1-CZ 4.43Å; L117-F125 HydrophobicContact CD2-CD2 3.9Å; L117-F125 HydrophobicContact CD2-CE2 4.04Å; L117-F125 HydrophobicContact CD2-CG 4.23Å; L117-F125 HydrophobicContact CG-CD2 3.8Å; L117-F125 HydrophobicContact CG-CE2 3.81Å; R121-F125 PolarHBondContact O-N 3Å; V122-F125 VanDerWaalsContact O-CB 3.32Å; V122-F125 WeakPolarHBondContact O-CB 3.2Å; V122-F125 PolarHBondContact O-N 3.37Å; S123-F125 VanDerWaalsContact C-N 3.25Å; S123-F125 PolarHBondContact O-N 3.07Å; F125-E128 PolarHBondContact O-N 3.33Å; F125-L129 HydrophobicContact CE1-CD1 3.73Å; F125-L129 HydrophobicContact CZ-CD1 4.21Å; F125-L129 WeakPolarHBondContact O-CB 2.93Å; F125-L129 PolarHBondContact O-N 3.49Å; F125-V147 HydrophobicContact CZ-CG2 4.45Å; F125-E150 HydrophobicContact CD1-CG 4.07Å; F125-E150 HydrophobicContact CE1-CB 4.01Å; F125-E150 HydrophobicContact CE1-CG 3.63Å; F125-E150 HydrophobicContact CZ-CB 3.83Å; F125-E150 HydrophobicContact CZ-CG 3.92Å |
| 126 | H | 83.1 | Confident | 77.4 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 178.7 | -68.2 | -52.8 | 0 | 0 | 0 | 112.8 | V122 S123 E128 L129 E130 E150 | V122-H126 WeakPolarHBondContact CG1-NE2 3.2Å; V122-H126 PolarHBondContact O-CD2 2.89Å; V122-H126 VanDerWaalsContact O-CD2 3.3Å; V122-H126 PolarHBondContact O-N 3.38Å; S123-H126 PolarHBondContact O-N 2.93Å; H126-E128 VanDerWaalsContact C-N 3.34Å; H126-E128 PolarHBondContact O-N 2.93Å; H126-L129 PolarHBondContact O-N 3.17Å; H126-E130 PolarHBondContact O-N 3.34Å; H126-E150 IonicContact CE1-OE1 3.63Å; H126-E150 IonicContact CE1-OE2 3.96Å; H126-E150 IonicContact NE2-OE1 2.7Å |
| 127 | T | 84.9 | Confident | 76.6 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 57% | 0.571 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 174.7 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | S123 R131 | S123-T127 PolarHBondContact O-N 2.88Å; S123-T127 VanDerWaalsContact O-N 3.13Å; S123-T127 PolarHBondContact O-OG1 3.29Å; S123-T127 VanDerWaalsContact O-OG1 3.1Å; T127-R131 PolarHBondContact O-N 3.32Å |
| 128 | E | 76.9 | Confident | 75.6 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 175 | -73.2 | -69.6 | 172 | 0 | 0 | 111.5 | K89 L113 L116 E124 F125 H126 E130 R131 L132 | K89-E128 VanDerWaalsContact CE-OE1 3.27Å; K89-E128 WeakPolarHBondContact CE-OE1 3.46Å; K89-E128 IonicContact NZ-OE1 3.41Å; K89-E128 PolarHBondContact NZ-OE1 3.37Å; L113-E128 HydrophobicContact CD2-CB 4.34Å; L116-E128 HydrophobicContact CD1-CB 4.49Å; L116-E128 HydrophobicContact CD1-CG 4.12Å; E124-E128 WeakPolarHBondContact O-CB 3.42Å; E124-E128 WeakPolarHBondContact O-CG 3.3Å; E124-E128 PolarHBondContact O-N 3.02Å; F125-E128 PolarHBondContact O-N 3.33Å; H126-E128 VanDerWaalsContact C-N 3.34Å; H126-E128 PolarHBondContact O-N 2.93Å; E128-E130 PolarHBondContact O-N 3.4Å; E128-R131 VanDerWaalsContact CD-NH2 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.19Å; E128-R131 PolarHBondContact O-N 3.29Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE1-CZ 3.96Å; E128-R131 IonicContact OE1-NH2 3.89Å; E128-R131 PolarHBondContact OE1-NH2 3.42Å; E128-R131 IonicContact OE2-CZ 3.73Å; E128-R131 IonicContact OE2-NE 2.75Å; E128-R131 PolarHBondContact OE2-NE 3.12Å; E128-R131 IonicContact OE2-NH2 2.73Å; E128-R131 PolarHBondContact OE2-NH2 2.84Å; E128-L132 WeakPolarHBondContact O-CD1 3.22Å; E128-L132 PolarHBondContact O-N 3.45Å |
| 129 | L | 79.8 | Confident | 75.1 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 23% | 0.225 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.8 | -166.2 | 152.6 | 0 | 0 | 0 | 111.9 | F125 H126 R131 L132 I137 V147 | F125-L129 HydrophobicContact CE1-CD1 3.73Å; F125-L129 HydrophobicContact CZ-CD1 4.21Å; F125-L129 WeakPolarHBondContact O-CB 2.93Å; F125-L129 PolarHBondContact O-N 3.49Å; H126-L129 PolarHBondContact O-N 3.17Å; L129-R131 PolarHBondContact O-N 3.13Å; L129-L132 PolarHBondContact O-N 3.18Å; L129-L132 VanDerWaalsContact O-N 3.14Å; L129-I137 HydrophobicContact CD2-CD1 3.97Å; L129-I137 HydrophobicContact CG-CD1 4.25Å; L129-V147 HydrophobicContact CD1-CG1 4.41Å; L129-V147 HydrophobicContact CD1-CG2 3.79Å |
| 130 | E | 81.3 | Confident | 74.4 | Confident | 167 Ų | 167 | 79.4 Ų | 79.4 | 78% | 0.78 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.1 | -30.7 | 174.2 | -174.7 | 175.5 | -173.6 | 0 | 0 | 112.1 | H126 E128 L132 | H126-E130 PolarHBondContact O-N 3.34Å; E128-E130 PolarHBondContact O-N 3.4Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.49Å |
| 131 | R | 73.9 | Confident | 74.1 | Confident | 94 Ų | 94 | 80 Ų | 80 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74.9 | -16.5 | 179.4 | -163.4 | 164.7 | 66.5 | 159.3 | -0.3 | 113.5 | F93 T127 E128 L129 | F93-R131 HydrophobicContact CD1-CG 4.19Å; F93-R131 VanDerWaalsContact CE1-CD 3.4Å; F93-R131 HydrophobicContact CE1-CG 3.41Å; F93-R131 VanDerWaalsContact CE1-CG 3.41Å; F93-R131 HydrophobicContact CZ-CG 3.86Å; T127-R131 PolarHBondContact O-N 3.32Å; E128-R131 VanDerWaalsContact CD-NH2 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.19Å; E128-R131 PolarHBondContact O-N 3.29Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE1-CZ 3.96Å; E128-R131 IonicContact OE1-NH2 3.89Å; E128-R131 PolarHBondContact OE1-NH2 3.42Å; E128-R131 IonicContact OE2-CZ 3.73Å; E128-R131 IonicContact OE2-NE 2.75Å; E128-R131 PolarHBondContact OE2-NE 3.12Å; E128-R131 IonicContact OE2-NH2 2.73Å; E128-R131 PolarHBondContact OE2-NH2 2.84Å; L129-R131 PolarHBondContact O-N 3.13Å |
| 132 | L | 71 | Confident | 73.5 | Confident | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.12 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -87.7 | 144.2 | 174.3 | -80.4 | 77.1 | 0 | 0 | 0 | 111.3 | L109 E128 L129 E130 A134 I137 I143 | L109-L132 HydrophobicContact CD1-CD1 4.27Å; L109-L132 HydrophobicContact CD2-CD1 3.83Å; L109-L132 HydrophobicContact CD2-CD2 3.41Å; L109-L132 VanDerWaalsContact CD2-CD2 3.41Å; L109-L132 HydrophobicContact CD2-CG 3.67Å; L109-L132 HydrophobicContact CG-CD1 4.24Å; L109-L132 HydrophobicContact CG-CD2 4.07Å; E128-L132 WeakPolarHBondContact O-CD1 3.22Å; E128-L132 PolarHBondContact O-N 3.45Å; L129-L132 PolarHBondContact O-N 3.18Å; L129-L132 VanDerWaalsContact O-N 3.14Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.49Å; L132-A134 PolarHBondContact O-N 2.86Å; L132-I137 HydrophobicContact CB-CD1 4.29Å; L132-I137 HydrophobicContact CB-CG1 4.26Å; L132-I137 HydrophobicContact CD2-CG1 4.48Å; L132-I143 HydrophobicContact CD2-CD1 3.94Å; L132-I143 HydrophobicContact CD2-CG2 4.14Å |
| 133 | S | 64.3 | Low | 73.2 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | trans | -68.3 | 132.2 | 171.7 | 165.8 | 0 | 0 | 0 | 0 | 110.7 | R135 D136 I137 | S133-R135 PolarHBondContact O-N 3.27Å; S133-R135 PolarHBondContact OG-N 3.4Å; S133-D136 WeakPolarHBondContact CB-OD2 3.09Å; S133-D136 PolarHBondContact O-N 3.45Å; S133-I137 PolarHBondContact O-N 3.23Å | ||
| 134 | A | 61.3 | Low | 73 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.9 | -24.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L132 Q138 | L132-A134 PolarHBondContact O-N 2.86Å; A134-Q138 PolarHBondContact O-N 3.39Å |
| 135 | R | 63.2 | Low | 72.9 | Confident | 198 Ų | 198 | 75.4 Ų | 75.4 | 75% | 0.747 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.1 | -36.2 | 175.9 | -63.5 | -173.1 | -172.5 | 179.2 | 3.3 | 112.1 | S133 Q138 T139 | S133-R135 PolarHBondContact O-N 3.27Å; S133-R135 PolarHBondContact OG-N 3.4Å; R135-Q138 PolarHBondContact O-N 2.98Å; R135-T139 WeakPolarHBondContact O-CB 3.41Å; R135-T139 PolarHBondContact O-N 3.23Å; R135-T139 VanDerWaalsContact O-N 3.1Å; R135-T139 PolarHBondContact O-OG1 2.68Å |
| 136 | D | 65.2 | Low | 72.7 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 35% | 0.353 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -74.8 | -32.2 | -179.1 | -59.7 | -29.7 | 0 | 0 | 0 | 111 | S133 N140 | S133-D136 WeakPolarHBondContact CB-OD2 3.09Å; S133-D136 PolarHBondContact O-N 3.45Å; D136-N140 WeakPolarHBondContact O-CB 3.32Å; D136-N140 PolarHBondContact O-N 2.9Å; D136-N140 VanDerWaalsContact O-N 3.15Å |
| 137 | I | 65.4 | Low | 72.7 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.2 | -58.7 | 175.2 | 0 | 0 | 0 | 111.1 | L129 L132 S133 I143 V147 | L129-I137 HydrophobicContact CD2-CD1 3.97Å; L129-I137 HydrophobicContact CG-CD1 4.25Å; L132-I137 HydrophobicContact CB-CD1 4.29Å; L132-I137 HydrophobicContact CB-CG1 4.26Å; L132-I137 HydrophobicContact CD2-CG1 4.48Å; S133-I137 PolarHBondContact O-N 3.23Å; I137-I143 HydrophobicContact CG1-CG2 4.42Å; I137-V147 HydrophobicContact CG2-CG2 4.44Å |
| 138 | Q | 62.2 | Low | 72.5 | Confident | 158 Ų | 158 | 70.1 Ų | 70.1 | 74% | 0.738 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -80.4 | -34 | -178.5 | -68.4 | -179.2 | 5.2 | 0 | 0 | 113.1 | A134 R135 | A134-Q138 PolarHBondContact O-N 3.39Å; R135-Q138 PolarHBondContact O-N 2.98Å |
| 139 | T | 67.8 | Low | 72.8 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 72% | 0.718 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -76.9 | -33.9 | -175.6 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | R135 | R135-T139 WeakPolarHBondContact O-CB 3.41Å; R135-T139 PolarHBondContact O-N 3.23Å; R135-T139 VanDerWaalsContact O-N 3.1Å; R135-T139 PolarHBondContact O-OG1 2.68Å |
| 140 | N | 68.9 | Low | 72.9 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | trans | -101 | 116.3 | -170.9 | -155 | -34.2 | 0 | 0 | 0 | 113.7 | H106 D136 Y142 I143 K144 | H106-N140 WeakPolarHBondContact CB-ND2 3.28Å; D136-N140 WeakPolarHBondContact O-CB 3.32Å; D136-N140 PolarHBondContact O-N 2.9Å; D136-N140 VanDerWaalsContact O-N 3.15Å; N140-Y142 PolarHBondContact O-N 3.37Å; N140-Y142 WeakPolarHBondContact OD1-CB 3.5Å; N140-Y142 WeakPolarHBondContact OD1-CD2 3.47Å; N140-Y142 PolarHBondContact OD1-N 3.11Å; N140-I143 HydrophobicContact CB-CD1 4.36Å; N140-I143 HydrophobicContact CB-CG1 4.44Å; N140-I143 PolarHBondContact O-N 3.15Å; N140-K144 WeakPolarHBondContact O-CB 3.31Å; N140-K144 PolarHBondContact O-N 3.26Å | ||
| 141 | I | 71.9 | Confident | 73.1 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58 | -33.3 | 176.4 | -63.1 | 161.9 | 0 | 0 | 0 | 111.4 | I143 H145 | I141-I143 PolarHBondContact O-N 3.31Å; I141-H145 PolarHBondContact O-N 3.42Å |
| 142 | Y | 70.5 | Confident | 73.6 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.1 | -29.7 | -178.6 | -66.8 | -74.9 | 0 | 0 | 0 | 113.7 | N140 P146 P169 A170 Y173 | N140-Y142 PolarHBondContact O-N 3.37Å; N140-Y142 WeakPolarHBondContact OD1-CB 3.5Å; N140-Y142 WeakPolarHBondContact OD1-CD2 3.47Å; N140-Y142 PolarHBondContact OD1-N 3.11Å; Y142-P146 WeakPolarHBondContact O-CD 3.39Å; Y142-P169 HydrophobicContact CD1-CB 3.96Å; Y142-P169 HydrophobicContact CD1-CG 3.52Å; Y142-P169 HydrophobicContact CE1-CB 3.45Å; Y142-P169 VanDerWaalsContact CE1-CB 3.45Å; Y142-P169 HydrophobicContact CE1-CG 3.56Å; Y142-P169 HydrophobicContact CG-CG 4.48Å; Y142-A170 HydrophobicContact CE1-CB 4.16Å; Y142-Y173 AromaticContact CD1-CE2 3.93Å; Y142-Y173 HydrophobicContact CD1-CE2 3.93Å |
| 143 | I | 74.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -91.7 | -34.7 | 178.6 | -61.4 | 174.4 | 0 | 0 | 0 | 110.4 | H106 L109 L113 L132 I137 N140 I141 H145 P146 V147 | H106-I143 HydrophobicContact CB-CD1 4Å; H106-I143 HydrophobicContact CB-CG1 4.39Å; L109-I143 HydrophobicContact CD2-CD1 4.5Å; L113-I143 HydrophobicContact CD1-CG2 4.1Å; L132-I143 HydrophobicContact CD2-CD1 3.94Å; L132-I143 HydrophobicContact CD2-CG2 4.14Å; I137-I143 HydrophobicContact CG1-CG2 4.42Å; N140-I143 HydrophobicContact CB-CD1 4.36Å; N140-I143 HydrophobicContact CB-CG1 4.44Å; N140-I143 PolarHBondContact O-N 3.15Å; I141-I143 PolarHBondContact O-N 3.31Å; I143-H145 VanDerWaalsContact C-N 3.25Å; I143-H145 PolarHBondContact O-N 2.72Å; I143-P146 VanDerWaalsContact O-CD 3.28Å; I143-P146 WeakPolarHBondContact O-CD 3.46Å; I143-V147 HydrophobicContact CG2-CG2 4.5Å; I143-V147 WeakPolarHBondContact O-CG2 3.07Å; I143-V147 PolarHBondContact O-N 3.43Å |
| 144 | K | 79.7 | Confident | 75 | Confident | 119 Ų | 119 | 67 Ų | 67 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 176.4 | -173.7 | 172.6 | -177.7 | 173.5 | 0 | 112.4 | N140 V147 S148 | N140-K144 WeakPolarHBondContact O-CB 3.31Å; N140-K144 PolarHBondContact O-N 3.26Å; K144-V147 PolarHBondContact O-N 3.21Å; K144-S148 WeakPolarHBondContact O-CB 3.06Å; K144-S148 PolarHBondContact O-N 3.29Å; K144-S148 PolarHBondContact O-OG 3.01Å; K144-S148 VanDerWaalsContact O-OG 3.11Å |
| 145 | H | 79.6 | Confident | 75.9 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.7 | -53.7 | -179.2 | 178.3 | -78.4 | 0 | 0 | 0 | 112.8 | I141 I143 V147 S148 L149 A164 N167 | I141-H145 PolarHBondContact O-N 3.42Å; I143-H145 VanDerWaalsContact C-N 3.25Å; I143-H145 PolarHBondContact O-N 2.72Å; H145-V147 VanDerWaalsContact C-N 3.3Å; H145-V147 PolarHBondContact O-N 3.36Å; H145-S148 PolarHBondContact O-N 2.99Å; H145-L149 VanDerWaalsContact O-CB 3.3Å; H145-L149 WeakPolarHBondContact O-CB 3.41Å; H145-L149 PolarHBondContact O-N 2.88Å; H145-A164 PolarHBondContact NE2-O 3.13Å; H145-N167 PolarHBondContact CD2-O 3.2Å |
| 146 | P | 81.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.9 | -39.2 | 173 | -25.8 | 30.3 | 0 | 0 | 0 | 114.2 | L113 L114 Y142 I143 L149 E150 | L113-P146 HydrophobicContact CB-CB 4.02Å; L114-P146 HydrophobicContact CD1-CG 4.35Å; L114-P146 HydrophobicContact CD2-CB 4.09Å; L114-P146 HydrophobicContact CD2-CG 4.13Å; L114-P146 HydrophobicContact CG-CB 4.17Å; L114-P146 HydrophobicContact CG-CG 3.86Å; Y142-P146 WeakPolarHBondContact O-CD 3.39Å; I143-P146 VanDerWaalsContact O-CD 3.28Å; I143-P146 WeakPolarHBondContact O-CD 3.46Å; P146-L149 WeakPolarHBondContact O-CB 3.41Å; P146-L149 PolarHBondContact O-N 3.13Å; P146-E150 WeakPolarHBondContact O-CB 3.43Å; P146-E150 PolarHBondContact O-N 3.26Å |
| 147 | V | 82.6 | Confident | 77.3 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.4 | -45.3 | 179.3 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | F125 L129 I137 I143 K144 H145 L149 E150 Q151 | F125-V147 HydrophobicContact CZ-CG2 4.45Å; L129-V147 HydrophobicContact CD1-CG1 4.41Å; L129-V147 HydrophobicContact CD1-CG2 3.79Å; I137-V147 HydrophobicContact CG2-CG2 4.44Å; I143-V147 HydrophobicContact CG2-CG2 4.5Å; I143-V147 WeakPolarHBondContact O-CG2 3.07Å; I143-V147 PolarHBondContact O-N 3.43Å; K144-V147 PolarHBondContact O-N 3.21Å; H145-V147 VanDerWaalsContact C-N 3.3Å; H145-V147 PolarHBondContact O-N 3.36Å; V147-L149 VanDerWaalsContact C-N 3.28Å; V147-L149 PolarHBondContact O-N 3.42Å; V147-E150 PolarHBondContact O-N 2.87Å; V147-Q151 PolarHBondContact O-N 3.44Å |
| 148 | S | 81.8 | Confident | 77.8 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | K144 H145 Q151 Y152 | K144-S148 WeakPolarHBondContact O-CB 3.06Å; K144-S148 PolarHBondContact O-N 3.29Å; K144-S148 PolarHBondContact O-OG 3.01Å; K144-S148 VanDerWaalsContact O-OG 3.11Å; H145-S148 PolarHBondContact O-N 2.99Å; S148-Q151 PolarHBondContact O-N 3.15Å; S148-Y152 WeakPolarHBondContact O-CD2 3.39Å; S148-Y152 PolarHBondContact O-N 3.15Å |
| 149 | L | 82.1 | Confident | 78.5 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.3 | -169.9 | 69.9 | 0 | 0 | 0 | 111.7 | L114 H145 P146 V147 Y152 L153 V161 A164 I177 L180 | L114-L149 HydrophobicContact CD2-CD2 3.75Å; H145-L149 VanDerWaalsContact O-CB 3.3Å; H145-L149 WeakPolarHBondContact O-CB 3.41Å; H145-L149 PolarHBondContact O-N 2.88Å; P146-L149 WeakPolarHBondContact O-CB 3.41Å; P146-L149 PolarHBondContact O-N 3.13Å; V147-L149 VanDerWaalsContact C-N 3.28Å; V147-L149 PolarHBondContact O-N 3.42Å; L149-Y152 PolarHBondContact O-N 2.89Å; L149-L153 PolarHBondContact O-N 2.9Å; L149-V161 HydrophobicContact CD1-CB 4.34Å; L149-V161 HydrophobicContact CD1-CG1 3.85Å; L149-V161 HydrophobicContact CD1-CG2 4.34Å; L149-A164 HydrophobicContact CD1-CB 4.19Å; L149-I177 HydrophobicContact CD2-CD1 3.42Å; L149-I177 VanDerWaalsContact CD2-CD1 3.42Å; L149-L180 HydrophobicContact CD2-CD2 3.66Å; L149-L180 HydrophobicContact CG-CD2 4.35Å |
| 150 | E | 83.3 | Confident | 78.8 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 175.5 | -170.3 | -81.5 | 149.2 | 0 | 0 | 111.3 | L117 F125 H126 P146 V147 Y152 L153 M154 | L117-E150 HydrophobicContact CD1-CB 4.05Å; L117-E150 HydrophobicContact CD2-CB 3.92Å; L117-E150 HydrophobicContact CD2-CG 3.52Å; F125-E150 HydrophobicContact CD1-CG 4.07Å; F125-E150 HydrophobicContact CE1-CB 4.01Å; F125-E150 HydrophobicContact CE1-CG 3.63Å; F125-E150 HydrophobicContact CZ-CB 3.83Å; F125-E150 HydrophobicContact CZ-CG 3.92Å; H126-E150 IonicContact CE1-OE1 3.63Å; H126-E150 IonicContact CE1-OE2 3.96Å; H126-E150 IonicContact NE2-OE1 2.7Å; P146-E150 WeakPolarHBondContact O-CB 3.43Å; P146-E150 PolarHBondContact O-N 3.26Å; V147-E150 PolarHBondContact O-N 2.87Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 3.3Å; E150-L153 WeakPolarHBondContact O-CA 3.32Å; E150-L153 WeakPolarHBondContact O-CB 3.45Å; E150-L153 PolarHBondContact O-N 3.42Å; E150-L153 VanDerWaalsContact O-N 3.07Å; E150-M154 PolarHBondContact O-N 3.42Å; E150-M154 WeakPolarHBondContact OE1-CE 3.14Å; E150-M154 VanDerWaalsContact OE1-CG 3.3Å; E150-M154 WeakPolarHBondContact OE1-CG 3.13Å; E150-M154 VanDerWaalsContact OE1-SD 3.33Å; E150-M154 WeakPolarHBondContact OE2-CE 3.42Å |
| 151 | Q | 84.9 | Confident | 79.2 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 173.2 | -175.2 | -177.5 | -18.7 | 0 | 0 | 112.2 | V147 S148 L153 M154 E155 | V147-Q151 PolarHBondContact O-N 3.44Å; S148-Q151 PolarHBondContact O-N 3.15Å; Q151-L153 VanDerWaalsContact C-N 3.26Å; Q151-L153 PolarHBondContact O-N 3.47Å; Q151-M154 PolarHBondContact O-N 3.45Å; Q151-E155 HydrophobicContact CG-CG 4.49Å; Q151-E155 PolarHBondContact NE2-OE1 3.19Å; Q151-E155 WeakPolarHBondContact O-CB 3.44Å; Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 3.41Å |
| 152 | Y | 83.8 | Confident | 79.2 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -31.4 | 176.7 | -60.1 | -32 | 0 | 0 | 0 | 112.8 | S148 L149 E150 G156 S157 K160 A164 | S148-Y152 WeakPolarHBondContact O-CD2 3.39Å; S148-Y152 PolarHBondContact O-N 3.15Å; L149-Y152 PolarHBondContact O-N 2.89Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 3.3Å; Y152-G156 PolarHBondContact O-N 3.06Å; Y152-G156 VanDerWaalsContact O-N 3.16Å; Y152-S157 PolarHBondContact O-N 2.97Å; Y152-K160 HydrophobicContact CD1-CB 4.03Å; Y152-K160 HydrophobicContact CD1-CD 3.66Å; Y152-K160 HydrophobicContact CD2-CB 3.84Å; Y152-K160 HydrophobicContact CE1-CB 4.23Å; Y152-K160 HydrophobicContact CE1-CD 3.55Å; Y152-K160 HydrophobicContact CE2-CB 4.06Å; Y152-K160 HydrophobicContact CG-CB 3.84Å; Y152-K160 HydrophobicContact CG-CD 4.33Å; Y152-A164 HydrophobicContact CE2-CB 4.48Å |
| 153 | L | 81.9 | Confident | 79.3 | Confident | 49 Ų | 49 | 54 Ų | 54 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 173.5 | -174 | 64.2 | 0 | 0 | 0 | 110.8 | L149 E150 Q151 G156 Y158 I184 | L149-L153 PolarHBondContact O-N 2.9Å; E150-L153 WeakPolarHBondContact O-CA 3.32Å; E150-L153 WeakPolarHBondContact O-CB 3.45Å; E150-L153 PolarHBondContact O-N 3.42Å; E150-L153 VanDerWaalsContact O-N 3.07Å; Q151-L153 VanDerWaalsContact C-N 3.26Å; Q151-L153 PolarHBondContact O-N 3.47Å; L153-G156 PolarHBondContact O-N 2.84Å; L153-G156 VanDerWaalsContact O-N 3.09Å; L153-Y158 HydrophobicContact CD1-CE1 4.25Å; L153-I184 HydrophobicContact CD1-CD1 3.9Å; L153-I184 HydrophobicContact CD1-CG1 3.82Å |
| 154 | M | 82.4 | Confident | 79 | Confident | 123 Ų | 123 | 54.7 Ų | 54.7 | 61% | 0.606 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 173.8 | -75.8 | -161.4 | -80.4 | 0 | 0 | 113 | E150 Q151 G156 | E150-M154 PolarHBondContact O-N 3.42Å; E150-M154 WeakPolarHBondContact OE1-CE 3.14Å; E150-M154 VanDerWaalsContact OE1-CG 3.3Å; E150-M154 WeakPolarHBondContact OE1-CG 3.13Å; E150-M154 VanDerWaalsContact OE1-SD 3.33Å; E150-M154 WeakPolarHBondContact OE2-CE 3.42Å; Q151-M154 PolarHBondContact O-N 3.45Å; M154-G156 PolarHBondContact O-N 3.01Å |
| 155 | E | 81.4 | Confident | 78.3 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.1 | 174.2 | -73.4 | 176.3 | -166.3 | 0 | 0 | 112.6 | Q151 S157 K160 | Q151-E155 HydrophobicContact CG-CG 4.49Å; Q151-E155 PolarHBondContact NE2-OE1 3.19Å; Q151-E155 WeakPolarHBondContact O-CB 3.44Å; Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 3.41Å; E155-S157 PolarHBondContact O-N 2.96Å; E155-K160 IonicContact OE2-NZ 3.34Å; E155-K160 PolarHBondContact OE2-NZ 3.46Å |
| 156 | G | 78.3 | Confident | 77.5 | Confident | 35 Ų | 35 | 55 Ų | 55 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 18 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y152 L153 M154 Y158 | Y152-G156 PolarHBondContact O-N 3.06Å; Y152-G156 VanDerWaalsContact O-N 3.16Å; L153-G156 PolarHBondContact O-N 2.84Å; L153-G156 VanDerWaalsContact O-N 3.09Å; M154-G156 PolarHBondContact O-N 3.01Å; G156-Y158 VanDerWaalsContact O-CD2 3.28Å; G156-Y158 WeakPolarHBondContact O-CD2 3.35Å; G156-Y158 WeakPolarHBondContact O-CE2 3.3Å; G156-Y158 PolarHBondContact O-N 3.23Å; G156-Y158 VanDerWaalsContact O-N 3.11Å |
| 157 | S | 78.7 | Confident | 76.7 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | trans | -88.2 | 74.4 | -175.2 | -161.6 | 0 | 0 | 0 | 0 | 111.6 | Y152 E155 N159 K160 V161 | Y152-S157 PolarHBondContact O-N 2.97Å; E155-S157 PolarHBondContact O-N 2.96Å; S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 3.47Å; S157-K160 PolarHBondContact O-N 3.22Å; S157-K160 VanDerWaalsContact O-N 3.12Å; S157-V161 PolarHBondContact O-N 3.15Å | ||
| 158 | Y | 75.3 | Confident | 75.8 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -28.9 | -175.7 | -57.2 | -65.3 | 0 | 0 | 0 | 114.1 | L153 G156 K160 V161 F162 I184 I188 | L153-Y158 HydrophobicContact CD1-CE1 4.25Å; G156-Y158 VanDerWaalsContact O-CD2 3.28Å; G156-Y158 WeakPolarHBondContact O-CD2 3.35Å; G156-Y158 WeakPolarHBondContact O-CE2 3.3Å; G156-Y158 PolarHBondContact O-N 3.23Å; G156-Y158 VanDerWaalsContact O-N 3.11Å; Y158-K160 VanDerWaalsContact C-N 3.25Å; Y158-K160 PolarHBondContact O-N 3.24Å; Y158-V161 WeakPolarHBondContact O-CB 3.34Å; Y158-V161 PolarHBondContact O-N 3.39Å; Y158-V161 VanDerWaalsContact O-N 3.15Å; Y158-F162 WeakPolarHBondContact O-CD2 3.48Å; Y158-F162 PolarHBondContact O-N 3Å; Y158-I184 HydrophobicContact CD1-CG2 3.43Å; Y158-I184 VanDerWaalsContact CD1-CG2 3.43Å; Y158-I184 HydrophobicContact CE1-CG2 3.47Å; Y158-I184 VanDerWaalsContact CE1-CG2 3.47Å; Y158-I184 HydrophobicContact CG-CG2 4.47Å; Y158-I188 HydrophobicContact CD1-CD1 3.73Å; Y158-I188 HydrophobicContact CD1-CG1 4.09Å; Y158-I188 HydrophobicContact CD2-CD1 3.76Å; Y158-I188 HydrophobicContact CD2-CG1 3.73Å; Y158-I188 HydrophobicContact CE1-CD1 4.01Å; Y158-I188 HydrophobicContact CE1-CG1 3.86Å; Y158-I188 HydrophobicContact CE2-CD1 4.04Å; Y158-I188 HydrophobicContact CE2-CG1 3.49Å; Y158-I188 VanDerWaalsContact CE2-CG1 3.49Å; Y158-I188 HydrophobicContact CG-CD1 3.58Å; Y158-I188 HydrophobicContact CG-CG1 4.01Å |
| 159 | N | 77.3 | Confident | 74.7 | Confident | 106 Ų | 106 | 62.1 Ų | 62.1 | 57% | 0.567 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.2 | -42.2 | 174.9 | -65.4 | -20.6 | 0 | 0 | 0 | 111.6 | S157 L163 F209 | S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 3.47Å; N159-L163 WeakPolarHBondContact O-CG 3.24Å; N159-L163 PolarHBondContact O-N 2.94Å; N159-L163 VanDerWaalsContact O-N 3.14Å; N159-F209 VanDerWaalsContact OD1-CZ 3.27Å; N159-F209 WeakPolarHBondContact OD1-CZ 3.5Å |
| 160 | K | 74.9 | Confident | 73.6 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 38% | 0.383 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.6 | -34.4 | 179.3 | -64.5 | -177.8 | -170.8 | 168.1 | 0 | 111.8 | Y152 E155 S157 Y158 F162 L163 A164 | Y152-K160 HydrophobicContact CD1-CB 4.03Å; Y152-K160 HydrophobicContact CD1-CD 3.66Å; Y152-K160 HydrophobicContact CD2-CB 3.84Å; Y152-K160 HydrophobicContact CE1-CB 4.23Å; Y152-K160 HydrophobicContact CE1-CD 3.55Å; Y152-K160 HydrophobicContact CE2-CB 4.06Å; Y152-K160 HydrophobicContact CG-CB 3.84Å; Y152-K160 HydrophobicContact CG-CD 4.33Å; E155-K160 IonicContact OE2-NZ 3.34Å; E155-K160 PolarHBondContact OE2-NZ 3.46Å; S157-K160 PolarHBondContact O-N 3.22Å; S157-K160 VanDerWaalsContact O-N 3.12Å; Y158-K160 VanDerWaalsContact C-N 3.25Å; Y158-K160 PolarHBondContact O-N 3.24Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 2.73Å; K160-L163 PolarHBondContact O-N 3.27Å; K160-A164 VanDerWaalsContact O-CB 3.32Å; K160-A164 WeakPolarHBondContact O-CB 3.48Å; K160-A164 PolarHBondContact O-N 2.68Å |
| 161 | V | 76.4 | Confident | 72.7 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | L149 S157 Y158 A164 K165 L181 I184 | L149-V161 HydrophobicContact CD1-CB 4.34Å; L149-V161 HydrophobicContact CD1-CG1 3.85Å; L149-V161 HydrophobicContact CD1-CG2 4.34Å; S157-V161 PolarHBondContact O-N 3.15Å; Y158-V161 WeakPolarHBondContact O-CB 3.34Å; Y158-V161 PolarHBondContact O-N 3.39Å; Y158-V161 VanDerWaalsContact O-N 3.15Å; V161-A164 PolarHBondContact O-N 3.36Å; V161-K165 PolarHBondContact O-N 2.87Å; V161-L181 HydrophobicContact CG1-CD2 4.2Å; V161-I184 HydrophobicContact CG1-CD1 3.96Å |
| 162 | F | 72.6 | Confident | 71.9 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68 | -35.3 | 177 | -83.4 | -78.7 | 0 | 0 | 0 | 113.1 | Y158 K160 K165 L181 F209 | Y158-F162 WeakPolarHBondContact O-CD2 3.48Å; Y158-F162 PolarHBondContact O-N 3Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 2.73Å; F162-K165 WeakPolarHBondContact O-CB 3.33Å; F162-K165 PolarHBondContact O-N 2.91Å; F162-L181 HydrophobicContact CD1-CD2 4.25Å; F162-L181 HydrophobicContact CE1-CD1 4.44Å; F162-L181 HydrophobicContact CE1-CD2 3.8Å; F162-L181 HydrophobicContact CE2-CD2 4.32Å; F162-L181 HydrophobicContact CZ-CD2 3.84Å; F162-F209 HydrophobicContact CD1-CB 4.41Å; F162-F209 HydrophobicContact CD1-CG 4.44Å; F162-F209 HydrophobicContact CD2-CB 4.46Å; F162-F209 HydrophobicContact CD2-CD1 4.47Å; F162-F209 AromaticContact CD2-CD2 3.47Å; F162-F209 HydrophobicContact CD2-CD2 3.47Å; F162-F209 VanDerWaalsContact CD2-CD2 3.47Å; F162-F209 AromaticContact CD2-CE2 3.71Å; F162-F209 HydrophobicContact CD2-CE2 3.71Å; F162-F209 AromaticContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CZ 4.32Å; F162-F209 HydrophobicContact CE1-CB 3.95Å; F162-F209 HydrophobicContact CE1-CG 4.35Å; F162-F209 HydrophobicContact CE2-CB 4.03Å; F162-F209 AromaticContact CE2-CD2 3.28Å; F162-F209 HydrophobicContact CE2-CD2 3.28Å; F162-F209 AromaticContact CE2-CE2 3.91Å; F162-F209 HydrophobicContact CE2-CE2 3.91Å; F162-F209 AromaticContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CG-CD2 4.25Å; F162-F209 HydrophobicContact CG-CG 4.23Å; F162-F209 HydrophobicContact CZ-CB 3.75Å; F162-F209 AromaticContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CG 4.04Å |
| 163 | L | 73 | Confident | 71.3 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 70% | 0.696 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.3 | -36.4 | 172.5 | -70.7 | 170.5 | 0 | 0 | 0 | 112.1 | N159 K160 K165 G166 | N159-L163 WeakPolarHBondContact O-CG 3.24Å; N159-L163 PolarHBondContact O-N 2.94Å; N159-L163 VanDerWaalsContact O-N 3.14Å; K160-L163 PolarHBondContact O-N 3.27Å; L163-K165 PolarHBondContact O-N 3.23Å; L163-G166 PolarHBondContact O-N 2.72Å |
| 164 | A | 68.6 | Low | 71 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65 | -22 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H145 L149 Y152 K160 V161 G166 N167 | H145-A164 PolarHBondContact NE2-O 3.13Å; L149-A164 HydrophobicContact CD1-CB 4.19Å; Y152-A164 HydrophobicContact CE2-CB 4.48Å; K160-A164 VanDerWaalsContact O-CB 3.32Å; K160-A164 WeakPolarHBondContact O-CB 3.48Å; K160-A164 PolarHBondContact O-N 2.68Å; V161-A164 PolarHBondContact O-N 3.36Å; A164-G166 VanDerWaalsContact C-N 3.26Å; A164-G166 PolarHBondContact O-N 3.18Å; A164-N167 PolarHBondContact O-N 3.25Å |
| 165 | K | 64.3 | Low | 70.7 | Confident | 70 Ų | 70 | 62 Ų | 62 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -62.5 | -30.3 | 166.7 | -167.5 | -174.2 | -176 | 149.8 | 0 | 112.5 | V161 F162 L163 N167 I168 I177 D178 L181 | V161-K165 PolarHBondContact O-N 2.87Å; F162-K165 WeakPolarHBondContact O-CB 3.33Å; F162-K165 PolarHBondContact O-N 2.91Å; L163-K165 PolarHBondContact O-N 3.23Å; K165-N167 VanDerWaalsContact C-N 3.28Å; K165-N167 PolarHBondContact O-N 3.07Å; K165-I168 HydrophobicContact CG-CD1 4Å; K165-I168 WeakPolarHBondContact O-CD1 3.11Å; K165-I168 WeakPolarHBondContact O-CG1 3.39Å; K165-I177 HydrophobicContact CG-CG2 4.21Å; K165-D178 IonicContact NZ-OD1 3.55Å; K165-D178 PolarHBondContact NZ-OD1 3.41Å; K165-L181 HydrophobicContact CD-CD1 3.82Å |
| 166 | G | 62 | Low | 70.5 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 76% | 0.763 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -72.7 | -21.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L163 A164 | L163-G166 PolarHBondContact O-N 2.72Å; A164-G166 VanDerWaalsContact C-N 3.26Å; A164-G166 PolarHBondContact O-N 3.18Å |
| 167 | N | 65.4 | Low | 70.5 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -107 | 44.3 | -172.4 | -162.7 | 19.6 | 0 | 0 | 0 | 112.1 | H145 A164 K165 P169 | H145-N167 PolarHBondContact CD2-O 3.2Å; A164-N167 PolarHBondContact O-N 3.25Å; K165-N167 VanDerWaalsContact C-N 3.28Å; K165-N167 PolarHBondContact O-N 3.07Å; N167-P169 VanDerWaalsContact O-CD 3.3Å; N167-P169 WeakPolarHBondContact O-CD 3.33Å |
| 168 | I | 62.9 | Low | 70.6 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 23% | 0.226 | 31% | 0.313 | C | S | . | . | trans | -88.1 | 117.1 | -178 | -60.9 | 159.2 | 0 | 0 | 0 | 109.2 | K165 A170 Y173 | K165-I168 HydrophobicContact CG-CD1 4Å; K165-I168 WeakPolarHBondContact O-CD1 3.11Å; K165-I168 WeakPolarHBondContact O-CG1 3.39Å; I168-A170 WeakPolarHBondContact CG2-O 3.45Å; I168-Y173 HydrophobicContact CG2-CD2 4.2Å | ||
| 169 | P | 58.3 | Low | 70.9 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -83.7 | -6.8 | -178.1 | 33.7 | -36.6 | 0 | 0 | 0 | 113.9 | Y142 N167 Y173 | Y142-P169 HydrophobicContact CD1-CB 3.96Å; Y142-P169 HydrophobicContact CD1-CG 3.52Å; Y142-P169 HydrophobicContact CE1-CB 3.45Å; Y142-P169 VanDerWaalsContact CE1-CB 3.45Å; Y142-P169 HydrophobicContact CE1-CG 3.56Å; Y142-P169 HydrophobicContact CG-CG 4.48Å; N167-P169 VanDerWaalsContact O-CD 3.3Å; N167-P169 WeakPolarHBondContact O-CD 3.33Å; P169-Y173 HydrophobicContact CG-CE2 4.32Å |
| 170 | A | 60.3 | Low | 71.1 | Confident | 12 Ų | 12 | 53 Ų | 53 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | trans | -145.7 | 133.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y142 I168 S172 Y173 | Y142-A170 HydrophobicContact CE1-CB 4.16Å; I168-A170 WeakPolarHBondContact CG2-O 3.45Å; A170-S172 PolarHBondContact O-N 3.37Å; A170-Y173 HydrophobicContact CB-CD2 3.91Å; A170-Y173 HydrophobicContact CB-CE2 3.92Å; A170-Y173 HydrophobicContact CB-CG 4.39Å; A170-Y173 WeakPolarHBondContact O-CB 3.49Å; A170-Y173 PolarHBondContact O-N 3.32Å; A170-Y173 VanDerWaalsContact O-N 3.08Å | ||
| 171 | E | 64.7 | Low | 71.3 | Confident | 179 Ų | 179 | 48.9 Ų | 48.9 | 84% | 0.836 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31 | -178 | -167 | 172.2 | 179.2 | 0 | 0 | 113.3 | Y173 N174 | E171-Y173 PolarHBondContact O-N 3.19Å; E171-N174 WeakPolarHBondContact O-CB 3.38Å; E171-N174 PolarHBondContact O-N 3.04Å; E171-N174 VanDerWaalsContact O-N 3.16Å |
| 172 | S | 68.1 | Low | 71.6 | Confident | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -19.8 | 177.2 | -49.1 | 0 | 0 | 0 | 0 | 113.9 | A170 | A170-S172 PolarHBondContact O-N 3.37Å |
| 173 | Y | 71 | Confident | 72.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -80.9 | -22.9 | 177.7 | -61.3 | -27.5 | 0 | 0 | 0 | 113.2 | Q107 L111 L114 Y142 I168 P169 A170 E171 F175 F176 I177 | Q107-Y173 WeakPolarHBondContact CA-OH 3.48Å; Q107-Y173 PolarHBondContact O-OH 3.28Å; L111-Y173 HydrophobicContact CB-CD1 4.33Å; L111-Y173 HydrophobicContact CB-CE1 3.73Å; L111-Y173 HydrophobicContact CD1-CD1 3.85Å; L111-Y173 HydrophobicContact CD1-CE1 3.81Å; L111-Y173 HydrophobicContact CG-CD1 4.06Å; L111-Y173 HydrophobicContact CG-CE1 3.95Å; L114-Y173 HydrophobicContact CD1-CD1 3.52Å; L114-Y173 HydrophobicContact CD1-CD2 4.23Å; L114-Y173 HydrophobicContact CD1-CE1 4.08Å; L114-Y173 HydrophobicContact CD1-CG 3.62Å; Y142-Y173 AromaticContact CD1-CE2 3.93Å; Y142-Y173 HydrophobicContact CD1-CE2 3.93Å; I168-Y173 HydrophobicContact CG2-CD2 4.2Å; P169-Y173 HydrophobicContact CG-CE2 4.32Å; A170-Y173 HydrophobicContact CB-CD2 3.91Å; A170-Y173 HydrophobicContact CB-CE2 3.92Å; A170-Y173 HydrophobicContact CB-CG 4.39Å; A170-Y173 WeakPolarHBondContact O-CB 3.49Å; A170-Y173 PolarHBondContact O-N 3.32Å; A170-Y173 VanDerWaalsContact O-N 3.08Å; E171-Y173 PolarHBondContact O-N 3.19Å; Y173-F175 PolarHBondContact O-N 3.08Å; Y173-F176 PolarHBondContact O-N 3.41Å; Y173-I177 WeakPolarHBondContact O-CB 3.05Å; Y173-I177 VanDerWaalsContact O-CG1 3.28Å; Y173-I177 WeakPolarHBondContact O-CG1 3.18Å; Y173-I177 PolarHBondContact O-N 3.5Å |
| 174 | N | 75.3 | Confident | 72.5 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | -175.7 | -160.3 | 12.5 | 0 | 0 | 0 | 111.6 | E171 I177 D178 | E171-N174 WeakPolarHBondContact O-CB 3.38Å; E171-N174 PolarHBondContact O-N 3.04Å; E171-N174 VanDerWaalsContact O-N 3.16Å; N174-I177 PolarHBondContact O-N 3.16Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3.43Å |
| 175 | F | 76.9 | Confident | 73.1 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 177.8 | 178.8 | -111.4 | 0 | 0 | 0 | 113.3 | K76 Y173 D178 I179 | K76-F175 HydrophobicContact CB-CE1 4.21Å; K76-F175 HydrophobicContact CB-CE2 4.11Å; K76-F175 HydrophobicContact CB-CZ 3.61Å; K76-F175 HydrophobicContact CD-CD2 4.08Å; K76-F175 HydrophobicContact CD-CE2 3.36Å; K76-F175 HydrophobicContact CD-CZ 3.78Å; K76-F175 HydrophobicContact CG-CD2 4.12Å; K76-F175 HydrophobicContact CG-CE1 4.14Å; K76-F175 HydrophobicContact CG-CE2 3.51Å; K76-F175 HydrophobicContact CG-CZ 3.5Å; Y173-F175 PolarHBondContact O-N 3.08Å; F175-D178 PolarHBondContact O-N 3.45Å; F175-I179 HydrophobicContact CD1-CD1 4.26Å; F175-I179 HydrophobicContact CE1-CD1 3.67Å; F175-I179 HydrophobicContact CE2-CD1 4.07Å; F175-I179 HydrophobicContact CZ-CD1 3.57Å; F175-I179 PolarHBondContact O-N 2.68Å |
| 176 | F | 75.6 | Confident | 73.9 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.022 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.4 | -34.3 | 180 | -67.1 | -73 | 0 | 0 | 0 | 112.4 | I73 L111 L114 F115 Y173 D178 I179 L180 | I73-F176 HydrophobicContact CB-CE2 4.38Å; I73-F176 HydrophobicContact CD1-CE2 4.42Å; I73-F176 HydrophobicContact CG1-CE2 3.9Å; I73-F176 HydrophobicContact CG1-CZ 4.03Å; I73-F176 HydrophobicContact CG2-CE2 3.64Å; I73-F176 HydrophobicContact CG2-CZ 4.23Å; L111-F176 HydrophobicContact CD1-CE2 4.45Å; L111-F176 HydrophobicContact CD2-CD2 4.06Å; L111-F176 HydrophobicContact CD2-CE2 3.45Å; L111-F176 VanDerWaalsContact CD2-CE2 3.45Å; L111-F176 HydrophobicContact CD2-CZ 4.05Å; L111-F176 HydrophobicContact CG-CD2 4.21Å; L111-F176 HydrophobicContact CG-CE2 4.02Å; L114-F176 HydrophobicContact CB-CB 4.29Å; F115-F176 HydrophobicContact CB-CE1 4.39Å; F115-F176 HydrophobicContact CD2-CD1 4.25Å; F115-F176 AromaticContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CZ 4.38Å; F115-F176 HydrophobicContact CE2-CE1 4.44Å; Y173-F176 PolarHBondContact O-N 3.41Å; F176-D178 VanDerWaalsContact C-N 3.34Å; F176-I179 PolarHBondContact O-N 3.5Å; F176-L180 WeakPolarHBondContact O-CB 3.41Å; F176-L180 PolarHBondContact O-N 3.07Å |
| 177 | I | 78.4 | Confident | 74.9 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.1 | -67.4 | -66.9 | 0 | 0 | 0 | 110.8 | L114 L149 K165 Y173 N174 I179 L180 L181 | L114-I177 HydrophobicContact CD2-CD1 3.81Å; L149-I177 HydrophobicContact CD2-CD1 3.42Å; L149-I177 VanDerWaalsContact CD2-CD1 3.42Å; K165-I177 HydrophobicContact CG-CG2 4.21Å; Y173-I177 WeakPolarHBondContact O-CB 3.05Å; Y173-I177 VanDerWaalsContact O-CG1 3.28Å; Y173-I177 WeakPolarHBondContact O-CG1 3.18Å; Y173-I177 PolarHBondContact O-N 3.5Å; N174-I177 PolarHBondContact O-N 3.16Å; I177-I179 PolarHBondContact O-N 3.28Å; I177-L180 HydrophobicContact CD1-CD2 4.47Å; I177-L180 PolarHBondContact O-N 3.5Å; I177-L181 HydrophobicContact CG2-CD1 3.87Å; I177-L181 HydrophobicContact CG2-CG 4.19Å; I177-L181 WeakPolarHBondContact O-CB 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.17Å; I177-L181 PolarHBondContact O-N 3.19Å |
| 178 | D | 80.6 | Confident | 75.7 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64 | -40.3 | 177 | -76.5 | -24.6 | 0 | 0 | 0 | 112 | K165 N174 F175 F176 L181 D182 | K165-D178 IonicContact NZ-OD1 3.55Å; K165-D178 PolarHBondContact NZ-OD1 3.41Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3.43Å; F175-D178 PolarHBondContact O-N 3.45Å; F176-D178 VanDerWaalsContact C-N 3.34Å; D178-L181 PolarHBondContact O-N 2.94Å; D178-D182 PolarHBondContact O-N 3.22Å; D178-D182 VanDerWaalsContact O-N 3.15Å |
| 179 | I | 82.5 | Confident | 76.5 | Confident | 53 Ų | 53 | 41.7 Ų | 41.7 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -48.8 | 173 | -64.5 | 169.1 | 0 | 0 | 0 | 110.6 | F175 F176 I177 L181 D182 T183 | F175-I179 HydrophobicContact CD1-CD1 4.26Å; F175-I179 HydrophobicContact CE1-CD1 3.67Å; F175-I179 HydrophobicContact CE2-CD1 4.07Å; F175-I179 HydrophobicContact CZ-CD1 3.57Å; F175-I179 PolarHBondContact O-N 2.68Å; F176-I179 PolarHBondContact O-N 3.5Å; I177-I179 PolarHBondContact O-N 3.28Å; I179-L181 VanDerWaalsContact C-N 3.27Å; I179-L181 PolarHBondContact O-N 3.08Å; I179-D182 PolarHBondContact O-N 3.18Å; I179-D182 VanDerWaalsContact O-N 3.11Å; I179-T183 PolarHBondContact O-N 3.16Å; I179-T183 VanDerWaalsContact O-N 3.09Å; I179-T183 PolarHBondContact O-OG1 3.43Å |
| 180 | L | 80.8 | Confident | 77.5 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 179.3 | -176.7 | 71.4 | 0 | 0 | 0 | 111.5 | L117 L149 F176 I177 D182 T183 I184 | L117-L180 HydrophobicContact CB-CD1 4.24Å; L117-L180 WeakPolarHBondContact O-CD1 3.43Å; L149-L180 HydrophobicContact CD2-CD2 3.66Å; L149-L180 HydrophobicContact CG-CD2 4.35Å; F176-L180 WeakPolarHBondContact O-CB 3.41Å; F176-L180 PolarHBondContact O-N 3.07Å; I177-L180 HydrophobicContact CD1-CD2 4.47Å; I177-L180 PolarHBondContact O-N 3.5Å; L180-D182 VanDerWaalsContact C-N 3.31Å; L180-D182 PolarHBondContact O-N 3.04Å; L180-T183 PolarHBondContact O-N 3.37Å; L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CD2-CD1 4.24Å; L180-I184 HydrophobicContact CG-CD1 3.82Å; L180-I184 HydrophobicContact CG-CG1 4.38Å; L180-I184 WeakPolarHBondContact O-CB 3.49Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.84Å |
| 181 | L | 79.5 | Confident | 78.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 177.3 | -74.2 | 171 | 0 | 0 | 0 | 112.4 | V161 F162 K165 I177 D178 I179 R185 | V161-L181 HydrophobicContact CG1-CD2 4.2Å; F162-L181 HydrophobicContact CD1-CD2 4.25Å; F162-L181 HydrophobicContact CE1-CD1 4.44Å; F162-L181 HydrophobicContact CE1-CD2 3.8Å; F162-L181 HydrophobicContact CE2-CD2 4.32Å; F162-L181 HydrophobicContact CZ-CD2 3.84Å; K165-L181 HydrophobicContact CD-CD1 3.82Å; I177-L181 HydrophobicContact CG2-CD1 3.87Å; I177-L181 HydrophobicContact CG2-CG 4.19Å; I177-L181 WeakPolarHBondContact O-CB 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.17Å; I177-L181 PolarHBondContact O-N 3.19Å; D178-L181 PolarHBondContact O-N 2.94Å; I179-L181 VanDerWaalsContact C-N 3.27Å; I179-L181 PolarHBondContact O-N 3.08Å; L181-R185 WeakPolarHBondContact O-CB 3.22Å; L181-R185 WeakPolarHBondContact O-CG 3.29Å; L181-R185 PolarHBondContact O-N 3.37Å |
| 182 | D | 82.6 | Confident | 79.2 | Confident | 71 Ų | 71 | 34.9 Ų | 34.9 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.3 | -43.5 | 173.9 | -74.7 | -17.2 | 0 | 0 | 0 | 110.9 | D178 I179 L180 I184 R185 D186 | D178-D182 PolarHBondContact O-N 3.22Å; D178-D182 VanDerWaalsContact O-N 3.15Å; I179-D182 PolarHBondContact O-N 3.18Å; I179-D182 VanDerWaalsContact O-N 3.11Å; L180-D182 VanDerWaalsContact C-N 3.31Å; L180-D182 PolarHBondContact O-N 3.04Å; D182-I184 PolarHBondContact O-N 3.46Å; D182-R185 WeakPolarHBondContact O-CB 3.48Å; D182-R185 PolarHBondContact O-N 3.37Å; D182-R185 IonicContact OD1-CZ 3.81Å; D182-R185 IonicContact OD1-NH1 3.37Å; D182-R185 PolarHBondContact OD1-NH1 3.26Å; D182-D186 PolarHBondContact O-N 2.86Å; D182-D186 VanDerWaalsContact O-N 3.08Å |
| 183 | T | 82.8 | Confident | 79.6 | Confident | 48 Ų | 48 | 36 Ų | 36 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.6 | -49.6 | 0 | 0 | 0 | 0 | 112.2 | I179 L180 R185 D186 E187 | I179-T183 PolarHBondContact O-N 3.16Å; I179-T183 VanDerWaalsContact O-N 3.09Å; I179-T183 PolarHBondContact O-OG1 3.43Å; L180-T183 PolarHBondContact O-N 3.37Å; T183-R185 VanDerWaalsContact C-N 3.33Å; T183-R185 PolarHBondContact O-N 2.7Å; T183-D186 WeakPolarHBondContact O-CB 3.38Å; T183-D186 PolarHBondContact O-N 2.89Å; T183-D186 VanDerWaalsContact O-N 3.15Å; T183-E187 PolarHBondContact O-N 3.45Å |
| 184 | I | 81.4 | Confident | 80 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.1 | -73.7 | 171.3 | 0 | 0 | 0 | 111 | L153 Y158 V161 L180 D182 D186 E187 I188 | L153-I184 HydrophobicContact CD1-CD1 3.9Å; L153-I184 HydrophobicContact CD1-CG1 3.82Å; Y158-I184 HydrophobicContact CD1-CG2 3.43Å; Y158-I184 VanDerWaalsContact CD1-CG2 3.43Å; Y158-I184 HydrophobicContact CE1-CG2 3.47Å; Y158-I184 VanDerWaalsContact CE1-CG2 3.47Å; Y158-I184 HydrophobicContact CG-CG2 4.47Å; V161-I184 HydrophobicContact CG1-CD1 3.96Å; L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CD2-CD1 4.24Å; L180-I184 HydrophobicContact CG-CD1 3.82Å; L180-I184 HydrophobicContact CG-CG1 4.38Å; L180-I184 WeakPolarHBondContact O-CB 3.49Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.84Å; D182-I184 PolarHBondContact O-N 3.46Å; I184-D186 VanDerWaalsContact C-N 3.26Å; I184-D186 PolarHBondContact O-N 3.09Å; I184-E187 PolarHBondContact O-N 2.96Å; I184-I188 HydrophobicContact CG2-CD1 3.61Å; I184-I188 HydrophobicContact CG2-CG1 4.17Å; I184-I188 WeakPolarHBondContact O-CB 3.38Å; I184-I188 WeakPolarHBondContact O-CG1 3.47Å; I184-I188 PolarHBondContact O-N 3.02Å |
| 185 | R | 81.6 | Confident | 80.3 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 15% | 0.151 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 174.9 | -77.3 | 170.2 | -174.6 | 121.9 | 9.4 | 111.7 | L181 D182 T183 A189 | L181-R185 WeakPolarHBondContact O-CB 3.22Å; L181-R185 WeakPolarHBondContact O-CG 3.29Å; L181-R185 PolarHBondContact O-N 3.37Å; D182-R185 WeakPolarHBondContact O-CB 3.48Å; D182-R185 PolarHBondContact O-N 3.37Å; D182-R185 IonicContact OD1-CZ 3.81Å; D182-R185 IonicContact OD1-NH1 3.37Å; D182-R185 PolarHBondContact OD1-NH1 3.26Å; T183-R185 VanDerWaalsContact C-N 3.33Å; T183-R185 PolarHBondContact O-N 2.7Å; R185-A189 VanDerWaalsContact O-CB 3.3Å; R185-A189 WeakPolarHBondContact O-CB 3.48Å; R185-A189 PolarHBondContact O-N 3.18Å |
| 186 | D | 82.3 | Confident | 80.2 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.7 | -39.8 | 177.4 | -78.9 | -32 | 0 | 0 | 0 | 112.4 | D182 T183 I184 G190 R223 | D182-D186 PolarHBondContact O-N 2.86Å; D182-D186 VanDerWaalsContact O-N 3.08Å; T183-D186 WeakPolarHBondContact O-CB 3.38Å; T183-D186 PolarHBondContact O-N 2.89Å; T183-D186 VanDerWaalsContact O-N 3.15Å; I184-D186 VanDerWaalsContact C-N 3.26Å; I184-D186 PolarHBondContact O-N 3.09Å; D186-G190 PolarHBondContact O-N 3.43Å; D186-R223 PolarHBondContact O-NH2 3.48Å; D186-R223 IonicContact OD1-CZ 3.78Å; D186-R223 IonicContact OD1-NE 2.95Å; D186-R223 IonicContact OD1-NH2 3.85Å; D186-R223 PolarHBondContact OD1-NH2 3.36Å |
| 187 | E | 81.6 | Confident | 80.1 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 173.6 | -70.5 | -59.2 | 142.7 | 0 | 0 | 112 | T183 I184 A189 G190 C191 | T183-E187 PolarHBondContact O-N 3.45Å; I184-E187 PolarHBondContact O-N 2.96Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 3.34Å; E187-G190 CarbonylContact O-C 3.52Å; E187-G190 PolarHBondContact O-N 3.18Å; E187-G190 VanDerWaalsContact O-N 3.1Å; E187-C191 PolarHBondContact O-N 3.08Å; E187-C191 PolarHBondContact O-SG 3Å |
| 188 | I | 81.6 | Confident | 79.8 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 174.4 | -69.2 | 166.6 | 0 | 0 | 0 | 110 | Y158 I184 G190 C191 I192 V207 L208 | Y158-I188 HydrophobicContact CD1-CD1 3.73Å; Y158-I188 HydrophobicContact CD1-CG1 4.09Å; Y158-I188 HydrophobicContact CD2-CD1 3.76Å; Y158-I188 HydrophobicContact CD2-CG1 3.73Å; Y158-I188 HydrophobicContact CE1-CD1 4.01Å; Y158-I188 HydrophobicContact CE1-CG1 3.86Å; Y158-I188 HydrophobicContact CE2-CD1 4.04Å; Y158-I188 HydrophobicContact CE2-CG1 3.49Å; Y158-I188 VanDerWaalsContact CE2-CG1 3.49Å; Y158-I188 HydrophobicContact CG-CD1 3.58Å; Y158-I188 HydrophobicContact CG-CG1 4.01Å; I184-I188 HydrophobicContact CG2-CD1 3.61Å; I184-I188 HydrophobicContact CG2-CG1 4.17Å; I184-I188 WeakPolarHBondContact O-CB 3.38Å; I184-I188 WeakPolarHBondContact O-CG1 3.47Å; I184-I188 PolarHBondContact O-N 3.02Å; I188-G190 VanDerWaalsContact C-N 3.33Å; I188-G190 PolarHBondContact O-N 3.28Å; I188-C191 WeakPolarHBondContact O-CB 3.13Å; I188-C191 PolarHBondContact O-N 3.36Å; I188-I192 HydrophobicContact CG2-CD1 3.75Å; I188-I192 HydrophobicContact CG2-CG1 4.27Å; I188-I192 VanDerWaalsContact O-CG1 3.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.41Å; I188-I192 PolarHBondContact O-N 3.42Å; I188-V207 HydrophobicContact CG2-CG1 3.86Å; I188-L208 HydrophobicContact CB-CD2 4.22Å; I188-L208 HydrophobicContact CG2-CD2 3.77Å |
| 189 | A | 79.8 | Confident | 79.7 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R185 E187 C191 I192 E193 W225 | R185-A189 VanDerWaalsContact O-CB 3.3Å; R185-A189 WeakPolarHBondContact O-CB 3.48Å; R185-A189 PolarHBondContact O-N 3.18Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 3.34Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 3.14Å; A189-I192 PolarHBondContact O-N 2.99Å; A189-E193 WeakPolarHBondContact O-CG 3.15Å; A189-E193 PolarHBondContact O-N 3.05Å; A189-W225 HydrophobicContact CB-CH2 4.48Å; A189-W225 HydrophobicContact CB-CZ2 4.08Å |
| 190 | G | 80.6 | Confident | 79.5 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D186 E187 I188 K194 | D186-G190 PolarHBondContact O-N 3.43Å; E187-G190 CarbonylContact O-C 3.52Å; E187-G190 PolarHBondContact O-N 3.18Å; E187-G190 VanDerWaalsContact O-N 3.1Å; I188-G190 VanDerWaalsContact C-N 3.33Å; I188-G190 PolarHBondContact O-N 3.28Å; G190-K194 WeakPolarHBondContact O-CG 3.4Å |
| 191 | C | 81.3 | Confident | 79.1 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 47% | 0.466 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 172.7 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | E187 I188 A189 E193 K194 A195 | E187-C191 PolarHBondContact O-N 3.08Å; E187-C191 PolarHBondContact O-SG 3Å; I188-C191 WeakPolarHBondContact O-CB 3.13Å; I188-C191 PolarHBondContact O-N 3.36Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 3.14Å; C191-E193 VanDerWaalsContact C-N 3.34Å; C191-E193 PolarHBondContact O-N 3.28Å; C191-K194 PolarHBondContact O-N 2.94Å; C191-A195 VanDerWaalsContact O-CB 3.26Å; C191-A195 WeakPolarHBondContact O-CB 3.25Å; C191-A195 PolarHBondContact O-N 3.46Å |
| 192 | I | 78.9 | Confident | 79 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.4 | -67.9 | 166.5 | 0 | 0 | 0 | 110.4 | I188 A189 K194 A195 Y196 I199 V207 L208 F235 | I188-I192 HydrophobicContact CG2-CD1 3.75Å; I188-I192 HydrophobicContact CG2-CG1 4.27Å; I188-I192 VanDerWaalsContact O-CG1 3.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.41Å; I188-I192 PolarHBondContact O-N 3.42Å; A189-I192 PolarHBondContact O-N 2.99Å; I192-K194 PolarHBondContact O-N 3.3Å; I192-K194 VanDerWaalsContact O-N 3.16Å; I192-A195 PolarHBondContact O-N 3.14Å; I192-Y196 HydrophobicContact CG2-CD2 4.04Å; I192-Y196 PolarHBondContact O-N 3.45Å; I192-I199 HydrophobicContact CG2-CD1 4.16Å; I192-V207 HydrophobicContact CD1-CB 4.44Å; I192-V207 HydrophobicContact CD1-CG1 3.76Å; I192-V207 HydrophobicContact CG1-CG1 4.41Å; I192-L208 HydrophobicContact CD1-CD2 4.43Å; I192-L208 HydrophobicContact CD1-CG 4.33Å; I192-F235 HydrophobicContact CG2-CD2 4.5Å; I192-F235 HydrophobicContact CG2-CE1 4.08Å; I192-F235 HydrophobicContact CG2-CE2 3.55Å; I192-F235 HydrophobicContact CG2-CZ 3.32Å |
| 193 | E | 77.3 | Confident | 78.7 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.4 | -24.7 | 177.3 | -74.4 | 172.4 | -174 | 0 | 0 | 113.4 | A189 C191 W225 F235 T237 | A189-E193 WeakPolarHBondContact O-CG 3.15Å; A189-E193 PolarHBondContact O-N 3.05Å; C191-E193 VanDerWaalsContact C-N 3.34Å; C191-E193 PolarHBondContact O-N 3.28Å; E193-W225 HydrophobicContact CG-CZ2 4.39Å; E193-W225 PolarHBondContact OE1-NE1 3.39Å; E193-F235 HydrophobicContact CB-CD1 4.26Å; E193-F235 HydrophobicContact CG-CD1 3.63Å; E193-F235 HydrophobicContact CG-CE1 3.92Å; E193-T237 PolarHBondContact O-OG1 3.43Å |
| 194 | K | 79.5 | Confident | 78.3 | Confident | 155 Ų | 155 | 60.5 Ų | 60.5 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -95.1 | -31.7 | 178.3 | -68.6 | 175.5 | -176.4 | 174.8 | 0 | 112.9 | G190 C191 I192 | G190-K194 WeakPolarHBondContact O-CG 3.4Å; C191-K194 PolarHBondContact O-N 2.94Å; I192-K194 PolarHBondContact O-N 3.3Å; I192-K194 VanDerWaalsContact O-N 3.16Å |
| 195 | A | 80.1 | Confident | 78 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -88.7 | -30.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C191 I192 | C191-A195 VanDerWaalsContact O-CB 3.26Å; C191-A195 WeakPolarHBondContact O-CB 3.25Å; C191-A195 PolarHBondContact O-N 3.46Å; I192-A195 PolarHBondContact O-N 3.14Å |
| 196 | Y | 75.3 | Confident | 77.8 | Confident | 126 Ų | 126 | 68.3 Ų | 68.3 | 49% | 0.494 | 34% | 0.341 | S | S | . | . | trans | -122.7 | 135.2 | -174.8 | -60.6 | -79.5 | 0 | 0 | 0 | 110.9 | I192 F235 T237 | I192-Y196 HydrophobicContact CG2-CD2 4.04Å; I192-Y196 PolarHBondContact O-N 3.45Å; Y196-F235 WeakPolarHBondContact O-CD2 3.28Å; Y196-T237 PolarHBondContact O-OG1 3.24Å | ||
| 197 | E | 72.6 | Confident | 77.6 | Confident | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -78.7 | -34.8 | 169 | -65.9 | -175.6 | 154.3 | 0 | 0 | 111.3 | T234 F235 | E197-T234 WeakPolarHBondContact O-CA 3.34Å; E197-F235 PolarHBondContact O-N 2.96Å |
| 198 | Q | 73.3 | Confident | 77.2 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.3 | 177.6 | -61.9 | -178.3 | 9.5 | 0 | 0 | 110.5 | Y233 T234 | Q198-Y233 CarbonylContact C-O 3.59Å; Q198-Y233 VanDerWaalsContact CA-O 3.27Å; Q198-Y233 WeakPolarHBondContact CA-O 3.44Å; Q198-T234 HydrophobicContact CG-CG2 4.1Å |
| 199 | I | 77.4 | Confident | 76.7 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.7 | 173.1 | -163.7 | 162.6 | 0 | 0 | 0 | 111 | I192 E203 A204 Y232 Y233 F235 | I192-I199 HydrophobicContact CG2-CD1 4.16Å; I199-E203 HydrophobicContact CD1-CB 4.49Å; I199-E203 HydrophobicContact CG1-CB 4.18Å; I199-A204 HydrophobicContact CD1-CB 3.89Å; I199-A204 HydrophobicContact CG1-CB 4.06Å; I199-A204 HydrophobicContact CG2-CB 3.84Å; I199-Y232 CarbonylContact O-C 3.57Å; I199-Y232 VanDerWaalsContact O-CA 3.32Å; I199-Y232 WeakPolarHBondContact O-CA 3.41Å; I199-Y233 HydrophobicContact CG2-CD2 4.46Å; I199-Y233 PolarHBondContact N-O 3.27Å; I199-Y233 PolarHBondContact O-N 3.13Å; I199-F235 HydrophobicContact CB-CE2 3.85Å; I199-F235 HydrophobicContact CB-CZ 4.47Å; I199-F235 HydrophobicContact CG2-CE2 3.29Å; I199-F235 HydrophobicContact CG2-CZ 3.5Å |
| 200 | Q | 79.2 | Confident | 76.3 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.5 | 174.6 | -164.4 | -179.2 | -2.2 | 0 | 0 | 111.2 | S202 E203 A204 Y232 | Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.85Å; Q200-E203 HydrophobicContact CB-CG 4.49Å; Q200-E203 PolarHBondContact O-N 2.9Å; Q200-A204 PolarHBondContact O-N 2.6Å; Q200-Y232 HydrophobicContact CB-CD1 4.04Å; Q200-Y232 HydrophobicContact CB-CE1 3.81Å; Q200-Y232 HydrophobicContact CG-CD1 4.48Å; Q200-Y232 HydrophobicContact CG-CE1 4.11Å |
| 201 | F | 73.4 | Confident | 75.8 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -52.4 | -39.4 | 175.2 | -175.4 | -91 | 0 | 0 | 0 | 113.6 | T205 P213 M216 G231 Y233 | F201-T205 WeakPolarHBondContact O-CB 3.33Å; F201-T205 PolarHBondContact O-N 3.47Å; F201-T205 PolarHBondContact O-OG1 3.04Å; F201-P213 HydrophobicContact CE1-CB 4.02Å; F201-P213 HydrophobicContact CZ-CB 3.69Å; F201-M216 HydrophobicContact CD1-SD 4.27Å; F201-M216 HydrophobicContact CD2-CE 4.31Å; F201-M216 HydrophobicContact CD2-SD 3.43Å; F201-M216 WeakPolarHBondContact CD2-SD 3.22Å; F201-M216 HydrophobicContact CE1-SD 4.07Å; F201-M216 HydrophobicContact CE2-CB 4.33Å; F201-M216 HydrophobicContact CE2-CG 4.14Å; F201-M216 HydrophobicContact CE2-SD 3.19Å; F201-M216 WeakPolarHBondContact CE2-SD 3.28Å; F201-M216 HydrophobicContact CG-SD 3.97Å; F201-M216 HydrophobicContact CZ-CB 4.44Å; F201-M216 HydrophobicContact CZ-SD 3.54Å; F201-M216 VanDerWaalsContact CZ-SD 3.54Å; F201-M216 WeakPolarHBondContact O-CE 3.25Å; F201-G231 WeakPolarHBondContact CB-O 3.35Å; F201-G231 PolarHBondContact N-O 2.81Å; F201-Y233 AromaticContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CE2-CE2 4.49Å |
| 202 | S | 76.7 | Confident | 75.3 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 177.5 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | Q200 T205 R206 | Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.85Å; S202-T205 WeakPolarHBondContact O-CB 3.28Å; S202-T205 PolarHBondContact O-N 3.05Å; S202-R206 PolarHBondContact O-N 3.31Å; S202-R206 VanDerWaalsContact O-N 3.1Å |
| 203 | E | 76.8 | Confident | 74.9 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.6 | -41.4 | -176.3 | -64.2 | -50.7 | 113.8 | 0 | 0 | 111.6 | I199 Q200 T205 R206 V207 | I199-E203 HydrophobicContact CD1-CB 4.49Å; I199-E203 HydrophobicContact CG1-CB 4.18Å; Q200-E203 HydrophobicContact CB-CG 4.49Å; Q200-E203 PolarHBondContact O-N 2.9Å; E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.45Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 2.92Å; E203-R206 VanDerWaalsContact O-N 3.15Å; E203-V207 VanDerWaalsContact O-CG2 3.28Å; E203-V207 WeakPolarHBondContact O-CG2 3.2Å; E203-V207 PolarHBondContact O-N 2.91Å |
| 204 | A | 73.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.6 | -31.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | I199 Q200 R206 L208 M216 | I199-A204 HydrophobicContact CD1-CB 3.89Å; I199-A204 HydrophobicContact CG1-CB 4.06Å; I199-A204 HydrophobicContact CG2-CB 3.84Å; Q200-A204 PolarHBondContact O-N 2.6Å; A204-R206 VanDerWaalsContact C-N 3.32Å; A204-L208 WeakPolarHBondContact O-CB 3.43Å; A204-L208 PolarHBondContact O-N 3.45Å; A204-L208 VanDerWaalsContact O-N 3.1Å; A204-M216 HydrophobicContact CB-CE 3.13Å |
| 205 | T | 75.9 | Confident | 74.4 | Confident | 29 Ų | 29 | 79.9 Ų | 79.9 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | F201 S202 E203 F209 F210 M216 | F201-T205 WeakPolarHBondContact O-CB 3.33Å; F201-T205 PolarHBondContact O-N 3.47Å; F201-T205 PolarHBondContact O-OG1 3.04Å; S202-T205 WeakPolarHBondContact O-CB 3.28Å; S202-T205 PolarHBondContact O-N 3.05Å; E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.45Å; T205-F209 PolarHBondContact O-N 2.75Å; T205-F209 VanDerWaalsContact O-N 3.12Å; T205-F210 HydrophobicContact CG2-CB 4.21Å; T205-F210 WeakPolarHBondContact CG2-O 3.47Å; T205-F210 PolarHBondContact O-N 2.85Å; T205-F210 VanDerWaalsContact O-N 3.13Å; T205-M216 PolarHBondContact OG1-SD 2.86Å |
| 206 | R | 77.4 | Confident | 73.9 | Confident | 182 Ų | 182 | 76.4 Ų | 76.4 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.4 | -43.9 | -179.8 | -170.4 | 177.8 | -179.3 | -177.1 | 0.2 | 112.1 | S202 E203 A204 F209 | S202-R206 PolarHBondContact O-N 3.31Å; S202-R206 VanDerWaalsContact O-N 3.1Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 2.92Å; E203-R206 VanDerWaalsContact O-N 3.15Å; A204-R206 VanDerWaalsContact C-N 3.32Å; R206-F209 PolarHBondContact O-N 2.7Å |
| 207 | V | 76.7 | Confident | 73.8 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 35% | 0.352 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | I188 I192 E203 F209 | I188-V207 HydrophobicContact CG2-CG1 3.86Å; I192-V207 HydrophobicContact CD1-CB 4.44Å; I192-V207 HydrophobicContact CD1-CG1 3.76Å; I192-V207 HydrophobicContact CG1-CG1 4.41Å; E203-V207 VanDerWaalsContact O-CG2 3.28Å; E203-V207 WeakPolarHBondContact O-CG2 3.2Å; E203-V207 PolarHBondContact O-N 2.91Å; V207-F209 VanDerWaalsContact C-N 3.3Å; V207-F209 VanDerWaalsContact O-CD2 3.3Å; V207-F209 WeakPolarHBondContact O-CD2 3.06Å |
| 208 | L | 74.1 | Confident | 74.2 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.1 | 178.3 | -67.6 | 163.1 | 0 | 0 | 0 | 113.5 | I188 I192 A204 F210 W225 | I188-L208 HydrophobicContact CB-CD2 4.22Å; I188-L208 HydrophobicContact CG2-CD2 3.77Å; I192-L208 HydrophobicContact CD1-CD2 4.43Å; I192-L208 HydrophobicContact CD1-CG 4.33Å; A204-L208 WeakPolarHBondContact O-CB 3.43Å; A204-L208 PolarHBondContact O-N 3.45Å; A204-L208 VanDerWaalsContact O-N 3.1Å; L208-F210 VanDerWaalsContact C-N 3.29Å; L208-F210 HydrophobicContact CB-CD2 3.57Å; L208-F210 HydrophobicContact CB-CE2 3.43Å; L208-F210 VanDerWaalsContact CB-CE2 3.43Å; L208-F210 HydrophobicContact CB-CZ 4.25Å; L208-F210 HydrophobicContact CD1-CD2 4.36Å; L208-F210 HydrophobicContact CD1-CE2 3.76Å; L208-F210 HydrophobicContact CG-CE2 4.14Å; L208-F210 PolarHBondContact O-N 3.39Å; L208-W225 HydrophobicContact CD1-CH2 4.02Å; L208-W225 HydrophobicContact CD1-CZ3 4.34Å |
| 209 | F | 71.1 | Confident | 74.2 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 44.5 | -179.7 | -66.7 | -86.1 | 0 | 0 | 0 | 113.3 | N159 F162 T205 R206 V207 | N159-F209 VanDerWaalsContact OD1-CZ 3.27Å; N159-F209 WeakPolarHBondContact OD1-CZ 3.5Å; F162-F209 HydrophobicContact CD1-CB 4.41Å; F162-F209 HydrophobicContact CD1-CG 4.44Å; F162-F209 HydrophobicContact CD2-CB 4.46Å; F162-F209 HydrophobicContact CD2-CD1 4.47Å; F162-F209 AromaticContact CD2-CD2 3.47Å; F162-F209 HydrophobicContact CD2-CD2 3.47Å; F162-F209 VanDerWaalsContact CD2-CD2 3.47Å; F162-F209 AromaticContact CD2-CE2 3.71Å; F162-F209 HydrophobicContact CD2-CE2 3.71Å; F162-F209 AromaticContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CZ 4.32Å; F162-F209 HydrophobicContact CE1-CB 3.95Å; F162-F209 HydrophobicContact CE1-CG 4.35Å; F162-F209 HydrophobicContact CE2-CB 4.03Å; F162-F209 AromaticContact CE2-CD2 3.28Å; F162-F209 HydrophobicContact CE2-CD2 3.28Å; F162-F209 AromaticContact CE2-CE2 3.91Å; F162-F209 HydrophobicContact CE2-CE2 3.91Å; F162-F209 AromaticContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CG-CD2 4.25Å; F162-F209 HydrophobicContact CG-CG 4.23Å; F162-F209 HydrophobicContact CZ-CB 3.75Å; F162-F209 AromaticContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CG 4.04Å; T205-F209 PolarHBondContact O-N 2.75Å; T205-F209 VanDerWaalsContact O-N 3.12Å; R206-F209 PolarHBondContact O-N 2.7Å; V207-F209 VanDerWaalsContact C-N 3.3Å; V207-F209 VanDerWaalsContact O-CD2 3.3Å; V207-F209 WeakPolarHBondContact O-CD2 3.06Å |
| 210 | F | 71.9 | Confident | 74 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | trans | -82 | 123.4 | 174.5 | -73.4 | -59.4 | 0 | 0 | 0 | 111.2 | T205 L208 S212 K215 M216 Y219 | T205-F210 HydrophobicContact CG2-CB 4.21Å; T205-F210 WeakPolarHBondContact CG2-O 3.47Å; T205-F210 PolarHBondContact O-N 2.85Å; T205-F210 VanDerWaalsContact O-N 3.13Å; L208-F210 VanDerWaalsContact C-N 3.29Å; L208-F210 HydrophobicContact CB-CD2 3.57Å; L208-F210 HydrophobicContact CB-CE2 3.43Å; L208-F210 VanDerWaalsContact CB-CE2 3.43Å; L208-F210 HydrophobicContact CB-CZ 4.25Å; L208-F210 HydrophobicContact CD1-CD2 4.36Å; L208-F210 HydrophobicContact CD1-CE2 3.76Å; L208-F210 HydrophobicContact CG-CE2 4.14Å; L208-F210 PolarHBondContact O-N 3.39Å; F210-S212 PolarHBondContact O-N 2.95Å; F210-K215 HydrophobicContact CD1-CB 3.95Å; F210-K215 HydrophobicContact CE1-CB 4.24Å; F210-M216 HydrophobicContact CD2-CB 4.04Å; F210-M216 HydrophobicContact CD2-CG 4.22Å; F210-Y219 AromaticContact CE1-CD2 3.45Å; F210-Y219 HydrophobicContact CE1-CD2 3.45Å; F210-Y219 VanDerWaalsContact CE1-CD2 3.45Å; F210-Y219 AromaticContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CE2 3.4Å; F210-Y219 VanDerWaalsContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CG 4.36Å; F210-Y219 HydrophobicContact CE2-CD2 4.08Å; F210-Y219 HydrophobicContact CE2-CG 4.32Å; F210-Y219 HydrophobicContact CZ-CD1 4.3Å; F210-Y219 AromaticContact CZ-CD2 3.15Å; F210-Y219 HydrophobicContact CZ-CD2 3.15Å; F210-Y219 AromaticContact CZ-CE2 3.49Å; F210-Y219 HydrophobicContact CZ-CE2 3.49Å; F210-Y219 VanDerWaalsContact CZ-CE2 3.49Å; F210-Y219 AromaticContact CZ-CG 3.63Å; F210-Y219 HydrophobicContact CZ-CG 3.63Å | ||
| 211 | N | 68.9 | Low | 73.9 | Confident | 173 Ų | 173 | 71.5 Ų | 71.5 | 93% | 0.925 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -76 | -11.3 | 171.8 | -66.7 | -6.2 | 0 | 0 | 0 | 113.2 | ||
| 212 | S | 72 | Confident | 74.2 | Confident | 42 Ų | 42 | 76.8 Ų | 76.8 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | trans | -136.9 | 128.9 | -176.9 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | F210 K214 K215 | F210-S212 PolarHBondContact O-N 2.95Å; S212-K214 PolarHBondContact O-N 2.93Å; S212-K215 PolarHBondContact O-N 3.38Å | ||
| 213 | P | 69.6 | Low | 74 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.8 | -23.6 | 179.2 | 26.1 | -34.3 | 0 | 0 | 0 | 112.8 | F201 M216 T217 | F201-P213 HydrophobicContact CE1-CB 4.02Å; F201-P213 HydrophobicContact CZ-CB 3.69Å; P213-M216 WeakPolarHBondContact O-CB 3.39Å; P213-M216 PolarHBondContact O-N 2.86Å; P213-T217 PolarHBondContact O-N 3.17Å; P213-T217 PolarHBondContact O-OG1 3.33Å; P213-T217 VanDerWaalsContact O-OG1 3.13Å |
| 214 | K | 73.1 | Confident | 73.6 | Confident | 161 Ų | 161 | 77 Ų | 77 | 70% | 0.7 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 177.6 | -65.9 | -174.9 | 178.6 | -178.8 | 0 | 112.5 | S212 M216 T217 D218 | S212-K214 PolarHBondContact O-N 2.93Å; K214-M216 VanDerWaalsContact C-N 3.27Å; K214-M216 PolarHBondContact O-N 3.43Å; K214-T217 PolarHBondContact O-N 3.47Å; K214-D218 PolarHBondContact O-N 3.37Å; K214-D218 VanDerWaalsContact O-N 3.15Å |
| 215 | K | 73.7 | Confident | 73.7 | Confident | 127 Ų | 127 | 78.4 Ų | 78.4 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 177.2 | -70.7 | -172.8 | 177.6 | -175 | 0 | 110.3 | F210 S212 T217 D218 Y219 | F210-K215 HydrophobicContact CD1-CB 3.95Å; F210-K215 HydrophobicContact CE1-CB 4.24Å; S212-K215 PolarHBondContact O-N 3.38Å; K215-T217 VanDerWaalsContact C-N 3.34Å; K215-T217 PolarHBondContact O-N 2.82Å; K215-D218 PolarHBondContact O-N 2.87Å; K215-Y219 HydrophobicContact CB-CD2 4.5Å; K215-Y219 WeakPolarHBondContact O-CD2 3.31Å; K215-Y219 PolarHBondContact O-N 3.06Å |
| 216 | M | 70.4 | Confident | 73.3 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.5 | -168.7 | -169.7 | -157.5 | 0 | 0 | 112.3 | F201 A204 T205 F210 P213 K214 D218 Y219 A220 Y233 | F201-M216 HydrophobicContact CD1-SD 4.27Å; F201-M216 HydrophobicContact CD2-CE 4.31Å; F201-M216 HydrophobicContact CD2-SD 3.43Å; F201-M216 WeakPolarHBondContact CD2-SD 3.22Å; F201-M216 HydrophobicContact CE1-SD 4.07Å; F201-M216 HydrophobicContact CE2-CB 4.33Å; F201-M216 HydrophobicContact CE2-CG 4.14Å; F201-M216 HydrophobicContact CE2-SD 3.19Å; F201-M216 WeakPolarHBondContact CE2-SD 3.28Å; F201-M216 HydrophobicContact CG-SD 3.97Å; F201-M216 HydrophobicContact CZ-CB 4.44Å; F201-M216 HydrophobicContact CZ-SD 3.54Å; F201-M216 VanDerWaalsContact CZ-SD 3.54Å; F201-M216 WeakPolarHBondContact O-CE 3.25Å; A204-M216 HydrophobicContact CB-CE 3.13Å; T205-M216 PolarHBondContact OG1-SD 2.86Å; F210-M216 HydrophobicContact CD2-CB 4.04Å; F210-M216 HydrophobicContact CD2-CG 4.22Å; P213-M216 WeakPolarHBondContact O-CB 3.39Å; P213-M216 PolarHBondContact O-N 2.86Å; K214-M216 VanDerWaalsContact C-N 3.27Å; K214-M216 PolarHBondContact O-N 3.43Å; M216-D218 VanDerWaalsContact C-N 3.34Å; M216-D218 PolarHBondContact O-N 2.9Å; M216-Y219 PolarHBondContact O-N 2.9Å; M216-A220 VanDerWaalsContact O-CB 3.32Å; M216-A220 WeakPolarHBondContact O-CB 2.95Å; M216-A220 PolarHBondContact O-N 3.1Å; M216-Y233 HydrophobicContact CE-CE2 3.95Å; M216-Y233 HydrophobicContact SD-CE2 4.32Å |
| 217 | T | 73 | Confident | 72.8 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 29% | 0.288 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 176 | -44.9 | 0 | 0 | 0 | 0 | 112 | P213 K214 K215 K221 | P213-T217 PolarHBondContact O-N 3.17Å; P213-T217 PolarHBondContact O-OG1 3.33Å; P213-T217 VanDerWaalsContact O-OG1 3.13Å; K214-T217 PolarHBondContact O-N 3.47Å; K215-T217 VanDerWaalsContact C-N 3.34Å; K215-T217 PolarHBondContact O-N 2.82Å; T217-K221 WeakPolarHBondContact O-CG 3.49Å; T217-K221 PolarHBondContact O-N 3.1Å |
| 218 | D | 79.5 | Confident | 72.3 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 175.6 | -69.8 | -20.8 | 0 | 0 | 0 | 112.1 | K214 K215 M216 K221 K222 | K214-D218 PolarHBondContact O-N 3.37Å; K214-D218 VanDerWaalsContact O-N 3.15Å; K215-D218 PolarHBondContact O-N 2.87Å; M216-D218 VanDerWaalsContact C-N 3.34Å; M216-D218 PolarHBondContact O-N 2.9Å; D218-K221 PolarHBondContact O-N 2.82Å; D218-K222 WeakPolarHBondContact O-CG 3.29Å; D218-K222 PolarHBondContact O-N 2.95Å |
| 219 | Y | 74.3 | Confident | 71.5 | Confident | 58 Ų | 58 | 89.9 Ų | 89.9 | 23% | 0.227 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 175 | -88.9 | -78 | 0 | 0 | 0 | 112.1 | F210 K215 M216 K221 K222 R223 | F210-Y219 AromaticContact CE1-CD2 3.45Å; F210-Y219 HydrophobicContact CE1-CD2 3.45Å; F210-Y219 VanDerWaalsContact CE1-CD2 3.45Å; F210-Y219 AromaticContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CE2 3.4Å; F210-Y219 VanDerWaalsContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CG 4.36Å; F210-Y219 HydrophobicContact CE2-CD2 4.08Å; F210-Y219 HydrophobicContact CE2-CG 4.32Å; F210-Y219 HydrophobicContact CZ-CD1 4.3Å; F210-Y219 AromaticContact CZ-CD2 3.15Å; F210-Y219 HydrophobicContact CZ-CD2 3.15Å; F210-Y219 AromaticContact CZ-CE2 3.49Å; F210-Y219 HydrophobicContact CZ-CE2 3.49Å; F210-Y219 VanDerWaalsContact CZ-CE2 3.49Å; F210-Y219 AromaticContact CZ-CG 3.63Å; F210-Y219 HydrophobicContact CZ-CG 3.63Å; K215-Y219 HydrophobicContact CB-CD2 4.5Å; K215-Y219 WeakPolarHBondContact O-CD2 3.31Å; K215-Y219 PolarHBondContact O-N 3.06Å; M216-Y219 PolarHBondContact O-N 2.9Å; Y219-K221 VanDerWaalsContact C-N 3.3Å; Y219-K221 PolarHBondContact O-N 3.46Å; Y219-K222 PolarHBondContact O-N 3.45Å; Y219-R223 PolarHBondContact O-N 3.33Å |
| 220 | A | 74 | Confident | 71.1 | Confident | 4 Ų | 4 | 93 Ų | 93 | 3% | 0.033 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M216 R223 G224 W225 Y233 | M216-A220 VanDerWaalsContact O-CB 3.32Å; M216-A220 WeakPolarHBondContact O-CB 2.95Å; M216-A220 PolarHBondContact O-N 3.1Å; A220-R223 PolarHBondContact O-N 3.47Å; A220-G224 PolarHBondContact O-N 3.21Å; A220-W225 HydrophobicContact CB-CB 4.27Å; A220-W225 HydrophobicContact CB-CE3 4.11Å; A220-W225 PolarHBondContact O-N 2.79Å; A220-Y233 HydrophobicContact CB-CD1 4.43Å; A220-Y233 HydrophobicContact CB-CE1 3.64Å |
| 221 | K | 76.9 | Confident | 70.8 | Confident | 154 Ų | 154 | 93 Ų | 93 | 67% | 0.67 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 173.6 | -76.1 | 176.4 | -179.4 | 178.3 | 0 | 112.7 | T217 D218 Y219 R223 G224 | T217-K221 WeakPolarHBondContact O-CG 3.49Å; T217-K221 PolarHBondContact O-N 3.1Å; D218-K221 PolarHBondContact O-N 2.82Å; Y219-K221 VanDerWaalsContact C-N 3.3Å; Y219-K221 PolarHBondContact O-N 3.46Å; K221-R223 PolarHBondContact O-N 2.99Å; K221-G224 PolarHBondContact O-N 3.49Å |
| 222 | K | 79.1 | Confident | 70.8 | Confident | 167 Ų | 167 | 89.3 Ų | 89.3 | 73% | 0.726 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.3 | -35.4 | 177.2 | -78.4 | -178.7 | 177.4 | -175.4 | 0 | 112.6 | D218 Y219 | D218-K222 WeakPolarHBondContact O-CG 3.29Å; D218-K222 PolarHBondContact O-N 2.95Å; Y219-K222 PolarHBondContact O-N 3.45Å |
| 223 | R | 71.6 | Confident | 70.6 | Confident | 93 Ų | 93 | 87.4 Ų | 87.4 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -92.5 | -5.8 | -179.5 | -65.3 | -73 | -178.2 | 159.1 | -1.9 | 114 | D186 Y219 A220 K221 W225 | D186-R223 PolarHBondContact O-NH2 3.48Å; D186-R223 IonicContact OD1-CZ 3.78Å; D186-R223 IonicContact OD1-NE 2.95Å; D186-R223 IonicContact OD1-NH2 3.85Å; D186-R223 PolarHBondContact OD1-NH2 3.36Å; Y219-R223 PolarHBondContact O-N 3.33Å; A220-R223 PolarHBondContact O-N 3.47Å; K221-R223 PolarHBondContact O-N 2.99Å; R223-W225 HydrophobicContact CB-CD2 4.38Å; R223-W225 HydrophobicContact CB-CG 4.28Å; R223-W225 HydrophobicContact CB-CZ2 4.43Å; R223-W225 VanDerWaalsContact CB-NE1 3.26Å |
| 224 | G | 68.8 | Low | 70.3 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 60% | 0.598 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 25.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A220 K221 T226 | A220-G224 PolarHBondContact O-N 3.21Å; K221-G224 PolarHBondContact O-N 3.49Å; G224-T226 PolarHBondContact O-N 2.75Å |
| 225 | W | 76.1 | Confident | 70 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 11% | 0.106 | 38% | 0.379 | C | S | . | . | trans | -69.8 | 130.8 | 179.9 | -58.8 | -9.6 | 0 | 0 | 0 | 110.9 | A189 E193 L208 A220 R223 Y233 F235 | A189-W225 HydrophobicContact CB-CH2 4.48Å; A189-W225 HydrophobicContact CB-CZ2 4.08Å; E193-W225 HydrophobicContact CG-CZ2 4.39Å; E193-W225 PolarHBondContact OE1-NE1 3.39Å; L208-W225 HydrophobicContact CD1-CH2 4.02Å; L208-W225 HydrophobicContact CD1-CZ3 4.34Å; A220-W225 HydrophobicContact CB-CB 4.27Å; A220-W225 HydrophobicContact CB-CE3 4.11Å; A220-W225 PolarHBondContact O-N 2.79Å; R223-W225 HydrophobicContact CB-CD2 4.38Å; R223-W225 HydrophobicContact CB-CG 4.28Å; R223-W225 HydrophobicContact CB-CZ2 4.43Å; R223-W225 VanDerWaalsContact CB-NE1 3.26Å; W225-Y233 HydrophobicContact CB-CD1 3.73Å; W225-Y233 HydrophobicContact CB-CE1 4.36Å; W225-Y233 HydrophobicContact CB-CG 4.3Å; W225-Y233 HydrophobicContact CE3-CD1 4.33Å; W225-Y233 HydrophobicContact CE3-CD2 4.16Å; W225-Y233 HydrophobicContact CE3-CG 4.04Å; W225-F235 AromaticContact CD1-CD1 3.97Å; W225-F235 AromaticContact CD1-CE1 3.86Å; W225-F235 HydrophobicContact CD2-CD1 4.31Å; W225-F235 AromaticContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CE1 3.48Å; W225-F235 VanDerWaalsContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CZ 4.19Å; W225-F235 AromaticContact CE2-CE1 3.33Å; W225-F235 AromaticContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CZ 4.15Å; W225-F235 HydrophobicContact CG-CD1 4.27Å; W225-F235 AromaticContact CG-CE1 3.87Å; W225-F235 HydrophobicContact CG-CE1 3.87Å; W225-F235 AromaticContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CZ 4.16Å; W225-F235 AromaticContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CZ 4.23Å; W225-F235 HydrophobicContact CZ3-CE1 4.15Å; W225-F235 HydrophobicContact CZ3-CZ 4.14Å; W225-F235 AromaticContact NE1-CD1 3.88Å; W225-F235 AromaticContact NE1-CE1 3.55Å | ||
| 226 | T | 67.6 | Low | 69.2 | Low | 72 Ų | 72 | 78.6 Ų | 78.6 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.2 | 178.3 | 55 | 0 | 0 | 0 | 0 | 109.7 | G224 Y233 T234 | G224-T226 PolarHBondContact O-N 2.75Å; T226-Y233 WeakPolarHBondContact O-CA 3.47Å; T226-T234 PolarHBondContact O-N 3.45Å; T226-T234 PolarHBondContact OG1-O 2.86Å |
| 227 | Q | 66.3 | Low | 68.3 | Low | 112 Ų | 112 | 80.2 Ų | 80.2 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 114.4 | 176 | -169.2 | 174.6 | 12.1 | 0 | 0 | 109.2 | Y233 | Q227-Y233 HydrophobicContact CB-CD1 4.14Å; Q227-Y233 HydrophobicContact CB-CE1 3.81Å; Q227-Y233 HydrophobicContact CG-CE1 4.06Å |
| 228 | N | 65.8 | Low | 67.2 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 40% | 0.396 | 41% | 0.412 | S | S | . | . | trans | -74 | 154.7 | 168.9 | -81.6 | -20.1 | 0 | 0 | 0 | 110.6 | D230 G231 Y232 T234 | N228-D230 PolarHBondContact O-N 3.32Å; N228-G231 PolarHBondContact O-N 3.25Å; N228-Y232 PolarHBondContact N-O 3.41Å; N228-T234 PolarHBondContact ND2-OG1 3.37Å | ||
| 229 | R | 58.7 | Low | 65.6 | Low | 258 Ų | 258 | 85.6 Ų | 85.6 | 97% | 0.974 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.3 | -179.5 | -74.1 | -178.7 | 176.1 | 179.5 | -0.9 | 113.5 | G231 | R229-G231 VanDerWaalsContact C-N 3.35Š|
| 230 | D | 61.7 | Low | 64.3 | Low | 136 Ų | 136 | 91 Ų | 91 | 73% | 0.727 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.7 | 176.7 | -63.3 | -66.2 | 0 | 0 | 0 | 114.6 | N228 Y232 | N228-D230 PolarHBondContact O-N 3.32Å; D230-Y232 HydrophobicContact CB-CD2 3.87Å; D230-Y232 HydrophobicContact CB-CE2 4.18Å |
| 231 | G | 65.4 | Low | 62.9 | Low | 19 Ų | 19 | 99.4 Ų | 99.4 | 20% | 0.196 | 48% | 0.478 | C | S | . | . | S | Bend | trans | 79.5 | 18 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F201 N228 R229 | F201-G231 WeakPolarHBondContact CB-O 3.35Å; F201-G231 PolarHBondContact N-O 2.81Å; N228-G231 PolarHBondContact O-N 3.25Å; R229-G231 VanDerWaalsContact C-N 3.35Å |
| 232 | Y | 69.3 | Low | 61.4 | Low | 95 Ų | 95 | 100.5 Ų | 100.5 | 37% | 0.373 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.5 | 170.4 | -65.2 | -87.2 | 0 | 0 | 0 | 110.5 | I199 Q200 N228 D230 | I199-Y232 CarbonylContact O-C 3.57Å; I199-Y232 VanDerWaalsContact O-CA 3.32Å; I199-Y232 WeakPolarHBondContact O-CA 3.41Å; Q200-Y232 HydrophobicContact CB-CD1 4.04Å; Q200-Y232 HydrophobicContact CB-CE1 3.81Å; Q200-Y232 HydrophobicContact CG-CD1 4.48Å; Q200-Y232 HydrophobicContact CG-CE1 4.11Å; N228-Y232 PolarHBondContact N-O 3.41Å; D230-Y232 HydrophobicContact CB-CD2 3.87Å; D230-Y232 HydrophobicContact CB-CE2 4.18Å |
| 233 | Y | 67.5 | Low | 59.9 | Low | 2 Ų | 2 | 100.9 Ų | 100.9 | 1% | 0.008 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.6 | 163.9 | -69.9 | -66.4 | 0 | 0 | 0 | 108.2 | Q198 I199 F201 M216 A220 W225 T226 Q227 | Q198-Y233 CarbonylContact C-O 3.59Å; Q198-Y233 VanDerWaalsContact CA-O 3.27Å; Q198-Y233 WeakPolarHBondContact CA-O 3.44Å; I199-Y233 HydrophobicContact CG2-CD2 4.46Å; I199-Y233 PolarHBondContact N-O 3.27Å; I199-Y233 PolarHBondContact O-N 3.13Å; F201-Y233 AromaticContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CE2-CE2 4.49Å; M216-Y233 HydrophobicContact CE-CE2 3.95Å; M216-Y233 HydrophobicContact SD-CE2 4.32Å; A220-Y233 HydrophobicContact CB-CD1 4.43Å; A220-Y233 HydrophobicContact CB-CE1 3.64Å; W225-Y233 HydrophobicContact CB-CD1 3.73Å; W225-Y233 HydrophobicContact CB-CE1 4.36Å; W225-Y233 HydrophobicContact CB-CG 4.3Å; W225-Y233 HydrophobicContact CE3-CD1 4.33Å; W225-Y233 HydrophobicContact CE3-CD2 4.16Å; W225-Y233 HydrophobicContact CE3-CG 4.04Å; T226-Y233 WeakPolarHBondContact O-CA 3.47Å; Q227-Y233 HydrophobicContact CB-CD1 4.14Å; Q227-Y233 HydrophobicContact CB-CE1 3.81Å; Q227-Y233 HydrophobicContact CG-CE1 4.06Å |
| 234 | T | 63.8 | Low | 58.7 | Low | 32 Ų | 32 | 104.3 Ų | 104.3 | 20% | 0.196 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.7 | 170.6 | -49.3 | 0 | 0 | 0 | 0 | 107.6 | E197 Q198 T226 N228 | E197-T234 WeakPolarHBondContact O-CA 3.34Å; Q198-T234 HydrophobicContact CG-CG2 4.1Å; T226-T234 PolarHBondContact O-N 3.45Å; T226-T234 PolarHBondContact OG1-O 2.86Å; N228-T234 PolarHBondContact ND2-OG1 3.37Å |
| 235 | F | 66.3 | Low | 58 | Low | 12 Ų | 12 | 106.6 Ų | 106.6 | 5% | 0.053 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 122.7 | 169.2 | -56.9 | -76.7 | 0 | 0 | 0 | 106.4 | I192 E193 Y196 E197 I199 W225 T237 | I192-F235 HydrophobicContact CG2-CD2 4.5Å; I192-F235 HydrophobicContact CG2-CE1 4.08Å; I192-F235 HydrophobicContact CG2-CE2 3.55Å; I192-F235 HydrophobicContact CG2-CZ 3.32Å; E193-F235 HydrophobicContact CB-CD1 4.26Å; E193-F235 HydrophobicContact CG-CD1 3.63Å; E193-F235 HydrophobicContact CG-CE1 3.92Å; Y196-F235 WeakPolarHBondContact O-CD2 3.28Å; E197-F235 PolarHBondContact O-N 2.96Å; I199-F235 HydrophobicContact CB-CE2 3.85Å; I199-F235 HydrophobicContact CB-CZ 4.47Å; I199-F235 HydrophobicContact CG2-CE2 3.29Å; I199-F235 HydrophobicContact CG2-CZ 3.5Å; W225-F235 AromaticContact CD1-CD1 3.97Å; W225-F235 AromaticContact CD1-CE1 3.86Å; W225-F235 HydrophobicContact CD2-CD1 4.31Å; W225-F235 AromaticContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CE1 3.48Å; W225-F235 VanDerWaalsContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CZ 4.19Å; W225-F235 AromaticContact CE2-CE1 3.33Å; W225-F235 AromaticContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CZ 4.15Å; W225-F235 HydrophobicContact CG-CD1 4.27Å; W225-F235 AromaticContact CG-CE1 3.87Å; W225-F235 HydrophobicContact CG-CE1 3.87Å; W225-F235 AromaticContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CZ 4.16Å; W225-F235 AromaticContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CZ 4.23Å; W225-F235 HydrophobicContact CZ3-CE1 4.15Å; W225-F235 HydrophobicContact CZ3-CZ 4.14Å; W225-F235 AromaticContact NE1-CD1 3.88Å; W225-F235 AromaticContact NE1-CE1 3.55Å; F235-T237 PolarHBondContact O-N 3.07Å |
| 236 | T | 57.1 | Low | 57.2 | Low | 133 Ų | 133 | 110.7 Ų | 110.7 | 82% | 0.816 | 54% | 0.543 | S | S | * | . | trans | -73.7 | 64.8 | 167.6 | -47.1 | 0 | 0 | 0 | 0 | 107.6 | Q238 | T236-Q238 VanDerWaalsContact C-N 3.31Å; T236-Q238 PolarHBondContact O-N 2.66Å | ||
| 237 | T | 52.6 | Low | 57.1 | Low | 35 Ų | 35 | 113.3 Ų | 113.3 | 22% | 0.215 | 55% | 0.553 | C | S | . | * | trans | -64.5 | 98.7 | 170.6 | -53.3 | 0 | 0 | 0 | 0 | 105.8 | E193 Y196 F235 Q239 | E193-T237 PolarHBondContact O-OG1 3.43Å; Y196-T237 PolarHBondContact O-OG1 3.24Å; F235-T237 PolarHBondContact O-N 3.07Å; T237-Q239 PolarHBondContact O-N 2.89Å | ||
| 238 | Q | 49.8 | Very low | 57.4 | Low | 109 Ų | 109 | 110.6 Ų | 110.6 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | trans | 40 | 24.6 | 133.5 | -61.2 | -174.1 | -8.8 | 0 | 0 | 119.1 | T236 Q240 R241 | T236-Q238 VanDerWaalsContact C-N 3.31Å; T236-Q238 PolarHBondContact O-N 2.66Å; Q238-Q240 PolarHBondContact O-N 2.88Å; Q238-R241 PolarHBondContact O-N 3.08Å | ||
| 239 | Q | 45.4 | Very low | 57.9 | Low | 147 Ų | 147 | 110.8 Ų | 110.8 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.8 | -18.6 | 170 | -86.3 | 178.3 | -12.6 | 0 | 0 | 110.9 | T237 | T237-Q239 PolarHBondContact O-N 2.89Å |
| 240 | Q | 45.6 | Very low | 59 | Low | 171 Ų | 171 | 103.6 Ų | 103.6 | 80% | 0.799 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.5 | -18.3 | 173.3 | -74.9 | -177.3 | -27.9 | 0 | 0 | 115.3 | Q238 | Q238-Q240 PolarHBondContact O-N 2.88Å |
| 241 | R | 45.5 | Very low | 60.1 | Low | 180 Ų | 180 | 102.7 Ų | 102.7 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -92 | -16.1 | -176.9 | -84.5 | -170.3 | -178.4 | -178.8 | 1.1 | 115.2 | Q238 | Q238-R241 PolarHBondContact O-N 3.08Å |
| 242 | M | 45.8 | Very low | 61.1 | Low | 177 Ų | 177 | 106.1 Ų | 106.1 | 87% | 0.872 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -86.4 | -18.6 | 174.5 | -79.9 | -175.2 | 79 | 0 | 0 | 113.4 | ||
| 243 | E | 47.1 | Very low | 61.9 | Low | 176 Ų | 176 | 103.9 Ų | 103.9 | 82% | 0.822 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -86.3 | -20 | 176 | -71.2 | -170.8 | 159.8 | 0 | 0 | 113.6 | ||
| 244 | E | 46.9 | Very low | 62.9 | Low | 165 Ų | 165 | 109.7 Ų | 109.7 | 77% | 0.771 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -93.1 | -6.7 | -177.9 | -92.6 | -168.9 | 163.5 | 0 | 0 | 115.6 | T246 | E244-T246 VanDerWaalsContact C-N 3.26Å; E244-T246 PolarHBondContact O-N 3.01Å; E244-T246 VanDerWaalsContact O-N 3.17Å |
| 245 | V | 54.1 | Low | 64.1 | Low | 105 Ų | 105 | 113 Ų | 113 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | trans | -91.4 | 74.6 | 168.4 | -168 | 0 | 0 | 0 | 0 | 107.9 | I247 | V245-I247 PolarHBondContact O-N 3.04Š| ||
| 246 | T | 58.7 | Low | 65.3 | Low | 115 Ų | 115 | 117 Ų | 117 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | trans | -46.5 | 114.5 | 151 | 53.2 | 0 | 0 | 0 | 0 | 105.9 | E244 | E244-T246 VanDerWaalsContact C-N 3.26Å; E244-T246 PolarHBondContact O-N 3.01Å; E244-T246 VanDerWaalsContact O-N 3.17Å | ||
| 247 | I | 65.4 | Low | 66.9 | Low | 127 Ų | 127 | 116.3 Ų | 116.3 | 65% | 0.651 | 60% | 0.598 | S | S | * | * | trans | -34.8 | 127.4 | 173.9 | -61.7 | 163.4 | 0 | 0 | 0 | 107.2 | V245 S249 L252 | V245-I247 PolarHBondContact O-N 3.04Å; I247-S249 PolarHBondContact O-N 2.93Å; I247-S249 PolarHBondContact O-OG 3.3Å; I247-L252 HydrophobicContact CG2-CD1 4.08Å | ||
| 248 | P | 73 | Confident | 68.8 | Low | 54 Ų | 54 | 118.9 Ų | 118.9 | 35% | 0.351 | 61% | 0.608 | S | S | . | * | trans | -67 | 76.1 | -173.4 | 26.2 | -33.1 | 0 | 0 | 0 | 109.9 | T250 E251 L252 | P248-T250 PolarHBondContact O-N 2.82Å; P248-E251 HydrophobicContact CB-CB 4.1Å; P248-E251 HydrophobicContact CB-CG 4.06Å; P248-E251 PolarHBondContact O-N 3.4Å; P248-L252 PolarHBondContact O-N 2.97Å | ||
| 249 | S | 75.9 | Confident | 70.7 | Confident | 79 Ų | 79 | 121 Ų | 121 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.9 | -29.7 | -175.7 | 45.7 | 0 | 0 | 0 | 0 | 110 | I247 A253 | I247-S249 PolarHBondContact O-N 2.93Å; I247-S249 PolarHBondContact O-OG 3.3Å; S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.3Å |
| 250 | T | 81.9 | Confident | 72.9 | Confident | 106 Ų | 106 | 116.1 Ų | 116.1 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67 | -44.4 | 171.6 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | P248 A253 Q254 | P248-T250 PolarHBondContact O-N 2.82Å; T250-A253 PolarHBondContact O-N 3.04Å; T250-Q254 WeakPolarHBondContact O-CB 3.35Å; T250-Q254 PolarHBondContact O-N 3.41Å |
| 251 | E | 84.8 | Confident | 74.9 | Confident | 118 Ų | 118 | 115.6 Ų | 115.6 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -42.1 | 177.1 | -66.3 | -175.7 | 158.9 | 0 | 0 | 111.4 | P248 Q254 Q255 | P248-E251 HydrophobicContact CB-CB 4.1Å; P248-E251 HydrophobicContact CB-CG 4.06Å; P248-E251 PolarHBondContact O-N 3.4Å; E251-Q254 PolarHBondContact O-N 3.24Å; E251-Q255 WeakPolarHBondContact O-CG 3.28Å; E251-Q255 PolarHBondContact O-N 3.01Å |
| 252 | L | 86.5 | Confident | 76.8 | Confident | 90 Ų | 90 | 112.8 Ų | 112.8 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.2 | -42.6 | 175 | -71.6 | 172.8 | 0 | 0 | 0 | 111.8 | I247 P248 Q254 Q255 V256 | I247-L252 HydrophobicContact CG2-CD1 4.08Å; P248-L252 PolarHBondContact O-N 2.97Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 2.82Å; L252-Q255 PolarHBondContact O-N 2.88Å; L252-V256 VanDerWaalsContact O-CG2 3.29Å; L252-V256 WeakPolarHBondContact O-CG2 3.42Å; L252-V256 PolarHBondContact O-N 2.91Å |
| 253 | A | 85.9 | Confident | 78.7 | Confident | 48 Ų | 48 | 111.6 Ų | 111.6 | 40% | 0.397 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S249 T250 V256 I257 | S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.3Å; T250-A253 PolarHBondContact O-N 3.04Å; A253-V256 PolarHBondContact O-N 3.28Å; A253-I257 VanDerWaalsContact O-CG1 3.25Å; A253-I257 WeakPolarHBondContact O-CG1 3.47Å; A253-I257 PolarHBondContact O-N 3.31Å |
| 254 | Q | 88.9 | Confident | 80.2 | Confident | 125 Ų | 125 | 111.1 Ų | 111.1 | 58% | 0.584 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.1 | -43.1 | 177.1 | -169.4 | 172 | -8.8 | 0 | 0 | 111.5 | T250 E251 L252 V256 I257 E258 | T250-Q254 WeakPolarHBondContact O-CB 3.35Å; T250-Q254 PolarHBondContact O-N 3.41Å; E251-Q254 PolarHBondContact O-N 3.24Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 2.82Å; Q254-V256 VanDerWaalsContact C-N 3.35Å; Q254-V256 PolarHBondContact O-N 3.49Å; Q254-I257 PolarHBondContact O-N 2.85Å; Q254-E258 WeakPolarHBondContact O-CB 3.2Å; Q254-E258 PolarHBondContact O-N 3.4Å |
| 255 | Q | 89.1 | Confident | 81.7 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.1 | -44.4 | 173.6 | -74.6 | 179.4 | -0.5 | 0 | 0 | 111.7 | E251 L252 I257 E258 Y259 | E251-Q255 WeakPolarHBondContact O-CG 3.28Å; E251-Q255 PolarHBondContact O-N 3.01Å; L252-Q255 PolarHBondContact O-N 2.88Å; Q255-I257 PolarHBondContact O-N 3.44Å; Q255-E258 WeakPolarHBondContact O-CB 3.37Å; Q255-E258 PolarHBondContact O-N 3.33Å; Q255-Y259 HydrophobicContact CB-CD2 4.43Å; Q255-Y259 HydrophobicContact CB-CE2 4.16Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.28Å; Q255-Y259 PolarHBondContact O-N 3.46Å |
| 256 | V | 91.7 | Very high | 82.4 | Confident | 96 Ų | 96 | 112 Ų | 112 | 58% | 0.582 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.9 | -40 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | L252 A253 Q254 Y259 A260 | L252-V256 VanDerWaalsContact O-CG2 3.29Å; L252-V256 WeakPolarHBondContact O-CG2 3.42Å; L252-V256 PolarHBondContact O-N 2.91Å; A253-V256 PolarHBondContact O-N 3.28Å; Q254-V256 VanDerWaalsContact C-N 3.35Å; Q254-V256 PolarHBondContact O-N 3.49Å; V256-Y259 PolarHBondContact O-N 3.39Å; V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 3.34Å |
| 257 | I | 90.8 | Very high | 82.4 | Confident | 117 Ų | 117 | 116 Ų | 116 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.5 | -41.1 | 175.1 | -67.5 | 164.6 | 0 | 0 | 0 | 110.9 | A253 Q254 Q255 A260 R261 | A253-I257 VanDerWaalsContact O-CG1 3.25Å; A253-I257 WeakPolarHBondContact O-CG1 3.47Å; A253-I257 PolarHBondContact O-N 3.31Å; Q254-I257 PolarHBondContact O-N 2.85Å; Q255-I257 PolarHBondContact O-N 3.44Å; I257-A260 PolarHBondContact O-N 2.86Å; I257-R261 WeakPolarHBondContact O-CB 3.19Å; I257-R261 PolarHBondContact O-N 2.79Å |
| 258 | E | 92.1 | Very high | 83.2 | Confident | 89 Ų | 89 | 115.5 Ų | 115.5 | 42% | 0.416 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.4 | -45.6 | 176.3 | -155.6 | 101.1 | -147.6 | 0 | 0 | 111 | Q254 Q255 R261 H262 | Q254-E258 WeakPolarHBondContact O-CB 3.2Å; Q254-E258 PolarHBondContact O-N 3.4Å; Q255-E258 WeakPolarHBondContact O-CB 3.37Å; Q255-E258 PolarHBondContact O-N 3.33Å; E258-R261 PolarHBondContact O-N 2.95Å; E258-H262 WeakPolarHBondContact O-CB 3.29Å; E258-H262 PolarHBondContact O-CD2 2.85Å; E258-H262 PolarHBondContact O-N 3.12Å |
| 259 | Y | 90.4 | Very high | 83.8 | Confident | 155 Ų | 155 | 118.7 Ų | 118.7 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.1 | -45.9 | 175.1 | -74.2 | -56.7 | 0 | 0 | 0 | 112 | Q255 V256 R261 H262 L263 | Q255-Y259 HydrophobicContact CB-CD2 4.43Å; Q255-Y259 HydrophobicContact CB-CE2 4.16Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.28Å; Q255-Y259 PolarHBondContact O-N 3.46Å; V256-Y259 PolarHBondContact O-N 3.39Å; Y259-R261 VanDerWaalsContact C-N 3.34Å; Y259-R261 PolarHBondContact O-N 2.85Å; Y259-H262 PolarHBondContact O-N 2.88Å; Y259-L263 WeakPolarHBondContact O-CG 3.24Å; Y259-L263 PolarHBondContact O-N 3.05Å |
| 260 | A | 90.3 | Very high | 84.2 | Confident | 44 Ų | 44 | 120.9 Ų | 120.9 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.4 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V256 I257 H262 L263 E264 | V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 3.34Å; I257-A260 PolarHBondContact O-N 2.86Å; A260-H262 VanDerWaalsContact C-N 3.34Å; A260-H262 PolarHBondContact O-N 3.41Å; A260-L263 PolarHBondContact O-N 3.36Å; A260-E264 WeakPolarHBondContact O-CB 3.42Å; A260-E264 PolarHBondContact O-N 2.84Å |
| 261 | R | 87.1 | Confident | 84.4 | Confident | 160 Ų | 160 | 121.8 Ų | 121.8 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.6 | -41.1 | 176.7 | -164.8 | 179.4 | 97.1 | 142.7 | 3.7 | 112.1 | I257 E258 Y259 L263 M265 | I257-R261 WeakPolarHBondContact O-CB 3.19Å; I257-R261 PolarHBondContact O-N 2.79Å; E258-R261 PolarHBondContact O-N 2.95Å; Y259-R261 VanDerWaalsContact C-N 3.34Å; Y259-R261 PolarHBondContact O-N 2.85Å; R261-L263 VanDerWaalsContact C-N 3.35Å; R261-M265 WeakPolarHBondContact O-CB 3.31Å; R261-M265 PolarHBondContact O-N 2.81Å |
| 262 | H | 86.9 | Confident | 84.3 | Confident | 121 Ų | 121 | 122.1 Ų | 122.1 | 56% | 0.56 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.3 | -30.3 | 178.3 | -78.5 | -139.4 | 0 | 0 | 0 | 112.7 | E258 Y259 A260 | E258-H262 WeakPolarHBondContact O-CB 3.29Å; E258-H262 PolarHBondContact O-CD2 2.85Å; E258-H262 PolarHBondContact O-N 3.12Å; Y259-H262 PolarHBondContact O-N 2.88Å; A260-H262 VanDerWaalsContact C-N 3.34Å; A260-H262 PolarHBondContact O-N 3.41Å |
| 263 | L | 84.8 | Confident | 84.2 | Confident | 152 Ų | 152 | 124.2 Ų | 124.2 | 80% | 0.796 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.5 | -36.2 | 176.4 | -77.6 | 162.1 | 0 | 0 | 0 | 113.1 | Y259 A260 R261 | Y259-L263 WeakPolarHBondContact O-CG 3.24Å; Y259-L263 PolarHBondContact O-N 3.05Å; A260-L263 PolarHBondContact O-N 3.36Å; R261-L263 VanDerWaalsContact C-N 3.35Å |
| 264 | E | 79.7 | Confident | 84.1 | Confident | 165 Ų | 165 | 129.6 Ų | 129.6 | 77% | 0.771 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -85.1 | -17.3 | 179 | -72.6 | -174.9 | 162 | 0 | 0 | 113.5 | A260 I266 | A260-E264 WeakPolarHBondContact O-CB 3.42Å; A260-E264 PolarHBondContact O-N 2.84Å; E264-I266 PolarHBondContact O-N 2.72Å |
| 265 | M | 77.5 | Confident | 83.7 | Confident | 129 Ų | 129 | 130 Ų | 130 | 64% | 0.635 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -68.6 | 104.2 | 172.3 | -175.6 | 170.6 | 167.3 | 0 | 0 | 109.1 | R261 V267 | R261-M265 WeakPolarHBondContact O-CB 3.31Å; R261-M265 PolarHBondContact O-N 2.81Å; M265-V267 PolarHBondContact O-N 3.13Å |
| 266 | I | 68.6 | Low | 83.2 | Confident | 159 Ų | 159 | 132.3 Ų | 132.3 | 82% | 0.815 | 66% | 0.664 | S | S | * | * | trans | -63 | 118.9 | 171.4 | -55.6 | 173.2 | 0 | 0 | 0 | 107.5 | E264 | E264-I266 PolarHBondContact O-N 2.72Š| ||
| 267 | V | 58.9 | Low | 82.5 | Confident | 201 Ų | 201 | 135.6 Ų | 135.6 | 100% | 1.218 | 67% | 0.672 | S | S | * | * | trans | -73.2 | 0 | 167.7 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | M265 | M265-V267 PolarHBondContact O-N 3.13Š|
Retrieved 267 of 267 residues in 79.4 ms
(Link to these results)