| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 96 | Very high | 97.9 | Very high | 114 Ų | 114 | 98.2 Ų | 98.2 | 56% | 0.562 | 47% | 0.466 | S | S | * | . | 0 | 130.6 | 0 | -173.1 | 176.4 | -68.2 | 0 | 0 | 110.6 | E5 R9 W53 | M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 HydrophobicContact CE-CG 4.43Å; M1-E5 HydrophobicContact CG-CB 3.95Å; M1-E5 HydrophobicContact CG-CG 3.9Å; M1-R9 HydrophobicContact CE-CB 4.23Å; M1-R9 HydrophobicContact CE-CG 3.78Å; M1-W53 HydrophobicContact CE-CD2 3.64Å; M1-W53 HydrophobicContact CE-CE3 3.24Å; M1-W53 HydrophobicContact CE-CG 4.25Å; M1-W53 HydrophobicContact CE-CH2 4.26Å; M1-W53 HydrophobicContact CE-CZ3 3.59Å | |||
| 2 | Q | 97.3 | Very high | 97.9 | Very high | 145 Ų | 145 | 95.6 Ų | 95.6 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | trans | -111.3 | 176.7 | 173.9 | -63.3 | -62 | -33.2 | 0 | 0 | 110.7 | E4 E5 Y6 | Q2-E4 PolarHBondContact O-N 3.3Å; Q2-E5 PolarHBondContact O-N 3.21Å; Q2-E5 VanDerWaalsContact O-N 3.16Å; Q2-Y6 PolarHBondContact O-N 2.93Å | ||
| 3 | V | 97.6 | Very high | 98 | Very high | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57 | -44.8 | -170.7 | 176.2 | 0 | 0 | 0 | 0 | 113.5 | E5 Y6 N7 | V3-E5 VanDerWaalsContact C-N 3.32Å; V3-E5 PolarHBondContact O-N 3.19Å; V3-Y6 PolarHBondContact O-N 3.09Å; V3-N7 PolarHBondContact O-N 3.5Å; V3-N7 PolarHBondContact O-ND2 3.18Å |
| 4 | E | 98 | Very high | 98 | Very high | 148 Ų | 148 | 91.6 Ų | 91.6 | 69% | 0.692 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | -179.6 | -64.4 | 72.3 | -158.2 | 0 | 0 | 111.2 | Q2 N7 R8 | Q2-E4 PolarHBondContact O-N 3.3Å; E4-N7 PolarHBondContact O-N 3.15Å; E4-R8 PolarHBondContact O-N 3.22Å; E4-R8 VanDerWaalsContact O-N 3.15Å |
| 5 | E | 97.8 | Very high | 98 | Very high | 60 Ų | 60 | 93 Ų | 93 | 28% | 0.28 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.2 | -46.6 | 176.2 | -173.5 | 177.9 | -161.4 | 0 | 0 | 110.9 | M1 Q2 V3 N7 R8 R9 | M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 HydrophobicContact CE-CG 4.43Å; M1-E5 HydrophobicContact CG-CB 3.95Å; M1-E5 HydrophobicContact CG-CG 3.9Å; Q2-E5 PolarHBondContact O-N 3.21Å; Q2-E5 VanDerWaalsContact O-N 3.16Å; V3-E5 VanDerWaalsContact C-N 3.32Å; V3-E5 PolarHBondContact O-N 3.19Å; E5-N7 VanDerWaalsContact C-N 3.29Å; E5-N7 PolarHBondContact O-N 3.49Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.92Å; E5-R9 HydrophobicContact CG-CG 4.08Å; E5-R9 VanDerWaalsContact O-CG 3.32Å; E5-R9 WeakPolarHBondContact O-CG 3.47Å; E5-R9 PolarHBondContact O-N 3.33Å; E5-R9 IonicContact OE1-NE 3.44Å; E5-R9 IonicContact OE1-NH2 3.04Å |
| 6 | Y | 98.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 89.4 Ų | 89.4 | 52% | 0.522 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -53.2 | -45.9 | 174.2 | 164.8 | -99.5 | 0 | 0 | 0 | 111.7 | Q2 V3 R8 R9 G10 | Q2-Y6 PolarHBondContact O-N 2.93Å; V3-Y6 PolarHBondContact O-N 3.09Å; Y6-R8 VanDerWaalsContact C-N 3.31Å; Y6-R8 PolarHBondContact O-N 2.68Å; Y6-R9 PolarHBondContact O-N 3.5Å; Y6-G10 PolarHBondContact O-N 2.98Å |
| 7 | N | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 86.9 Ų | 86.9 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 178.6 | -76.7 | -33.1 | 0 | 0 | 0 | 112.8 | V3 E4 E5 K11 | V3-N7 PolarHBondContact O-N 3.5Å; V3-N7 PolarHBondContact O-ND2 3.18Å; E4-N7 PolarHBondContact O-N 3.15Å; E5-N7 VanDerWaalsContact C-N 3.29Å; E5-N7 PolarHBondContact O-N 3.49Å; N7-K11 WeakPolarHBondContact O-CD 3.38Å; N7-K11 VanDerWaalsContact O-CG 3.3Å; N7-K11 WeakPolarHBondContact O-CG 3.48Å; N7-K11 PolarHBondContact O-N 3.15Å |
| 8 | R | 98.4 | Very high | 98.2 | Very high | 129 Ų | 129 | 85.7 Ų | 85.7 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.9 | -50.4 | 174.4 | -179.6 | 174.5 | 61.2 | 124.7 | -6.2 | 110.8 | E4 E5 Y6 K11 E12 E54 | E4-R8 PolarHBondContact O-N 3.22Å; E4-R8 VanDerWaalsContact O-N 3.15Å; E5-R8 WeakPolarHBondContact O-CB 3.45Å; E5-R8 PolarHBondContact O-N 2.92Å; Y6-R8 VanDerWaalsContact C-N 3.31Å; Y6-R8 PolarHBondContact O-N 2.68Å; R8-K11 PolarHBondContact O-N 3.11Å; R8-E12 PolarHBondContact O-N 2.86Å; R8-E12 VanDerWaalsContact O-N 3.11Å; R8-E54 IonicContact NH1-OE1 3.81Å |
| 9 | R | 98.3 | Very high | 98.2 | Very high | 9 Ų | 9 | 89.2 Ų | 89.2 | 3% | 0.034 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.3 | -34.4 | -176.9 | -58.2 | -36.3 | -174.7 | 160.6 | 6.5 | 113 | M1 E5 Y6 K11 E12 L13 W53 E54 | M1-R9 HydrophobicContact CE-CB 4.23Å; M1-R9 HydrophobicContact CE-CG 3.78Å; E5-R9 HydrophobicContact CG-CG 4.08Å; E5-R9 VanDerWaalsContact O-CG 3.32Å; E5-R9 WeakPolarHBondContact O-CG 3.47Å; E5-R9 PolarHBondContact O-N 3.33Å; E5-R9 IonicContact OE1-NE 3.44Å; E5-R9 IonicContact OE1-NH2 3.04Å; Y6-R9 PolarHBondContact O-N 3.5Å; R9-K11 VanDerWaalsContact C-N 3.32Å; R9-K11 PolarHBondContact O-N 2.95Å; R9-E12 WeakPolarHBondContact CD-OE2 3.38Å; R9-E12 IonicContact NH1-OE2 3.89Å; R9-E12 PolarHBondContact NH1-OE2 3.43Å; R9-E12 WeakPolarHBondContact O-CB 3.29Å; R9-E12 PolarHBondContact O-N 3.42Å; R9-L13 WeakPolarHBondContact O-CB 3.49Å; R9-L13 PolarHBondContact O-N 3.29Å; R9-W53 HydrophobicContact CB-CD2 4.36Å; R9-W53 HydrophobicContact CB-CZ2 3.96Å; R9-W53 HydrophobicContact CG-CD2 3.9Å; R9-W53 HydrophobicContact CG-CG 3.78Å; R9-W53 HydrophobicContact CG-CZ2 4.41Å; R9-E54 IonicContact CZ-OE1 3.22Å; R9-E54 IonicContact CZ-OE2 3.14Å; R9-E54 IonicContact NH1-OE1 3.71Å; R9-E54 PolarHBondContact NH1-OE1 3.37Å; R9-E54 IonicContact NH1-OE2 2.8Å; R9-E54 IonicContact NH2-OE1 3.67Å; R9-E54 PolarHBondContact NH2-OE1 2.89Å; R9-E54 IonicContact NH2-OE2 2.66Å; R9-E54 PolarHBondContact NH2-OE2 3.49Å |
| 10 | G | 98.3 | Very high | 98.2 | Very high | 25 Ų | 25 | 86.3 Ų | 86.3 | 26% | 0.258 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y6 L13 V14 | Y6-G10 PolarHBondContact O-N 2.98Å; G10-L13 PolarHBondContact O-N 3.19Å; G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 3.13Å |
| 11 | K | 98.5 | Very high | 98.2 | Very high | 145 Ų | 145 | 83.5 Ų | 83.5 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.1 | -45.6 | 174.5 | -68.5 | 169.4 | -173.9 | 177.7 | 0 | 111.7 | N7 R8 R9 L13 V14 D15 | N7-K11 WeakPolarHBondContact O-CD 3.38Å; N7-K11 VanDerWaalsContact O-CG 3.3Å; N7-K11 WeakPolarHBondContact O-CG 3.48Å; N7-K11 PolarHBondContact O-N 3.15Å; R8-K11 PolarHBondContact O-N 3.11Å; R9-K11 VanDerWaalsContact C-N 3.32Å; R9-K11 PolarHBondContact O-N 2.95Å; K11-L13 VanDerWaalsContact C-N 3.29Å; K11-L13 PolarHBondContact O-N 3Å; K11-V14 PolarHBondContact O-N 3.47Å; K11-V14 VanDerWaalsContact O-N 3.14Å; K11-D15 PolarHBondContact O-N 3.47Å |
| 12 | E | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 81.9 Ų | 81.9 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 175.8 | -179 | 174.2 | -154.3 | 0 | 0 | 112 | R8 R9 D15 Y16 F57 | R8-E12 PolarHBondContact O-N 2.86Å; R8-E12 VanDerWaalsContact O-N 3.11Å; R9-E12 WeakPolarHBondContact CD-OE2 3.38Å; R9-E12 IonicContact NH1-OE2 3.89Å; R9-E12 PolarHBondContact NH1-OE2 3.43Å; R9-E12 WeakPolarHBondContact O-CB 3.29Å; R9-E12 PolarHBondContact O-N 3.42Å; E12-D15 PolarHBondContact O-N 2.66Å; E12-Y16 WeakPolarHBondContact O-CB 3.32Å; E12-Y16 PolarHBondContact O-N 2.8Å; E12-F57 HydrophobicContact CG-CD1 4.5Å; E12-F57 HydrophobicContact CG-CE1 3.9Å; E12-F57 HydrophobicContact CG-CE2 4.39Å; E12-F57 HydrophobicContact CG-CZ 3.83Å |
| 13 | L | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 76.1 Ų | 76.1 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 176.3 | -178.7 | 61 | 0 | 0 | 0 | 112.5 | R9 G10 K11 D15 Y16 I17 F57 | R9-L13 WeakPolarHBondContact O-CB 3.49Å; R9-L13 PolarHBondContact O-N 3.29Å; G10-L13 PolarHBondContact O-N 3.19Å; K11-L13 VanDerWaalsContact C-N 3.29Å; K11-L13 PolarHBondContact O-N 3Å; L13-D15 VanDerWaalsContact C-N 3.34Å; L13-Y16 HydrophobicContact CD1-CD1 4.33Å; L13-Y16 PolarHBondContact O-N 3.29Å; L13-I17 HydrophobicContact CD1-CD1 4.11Å; L13-I17 HydrophobicContact CD1-CG1 4.21Å; L13-I17 HydrophobicContact CG-CD1 3.88Å; L13-I17 HydrophobicContact CG-CG1 4.42Å; L13-I17 WeakPolarHBondContact O-CB 3.5Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 2.62Å; L13-F57 HydrophobicContact CB-CE2 4.36Å; L13-F57 HydrophobicContact CD1-CE2 4.04Å |
| 14 | V | 98.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 72 Ų | 72 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.9 | 167 | 0 | 0 | 0 | 0 | 111 | G10 K11 I17 T18 M93 | G10-V14 VanDerWaalsContact O-CG2 3.31Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 3.13Å; K11-V14 PolarHBondContact O-N 3.47Å; K11-V14 VanDerWaalsContact O-N 3.14Å; V14-I17 PolarHBondContact O-N 3.17Å; V14-T18 WeakPolarHBondContact O-CB 3.34Å; V14-T18 PolarHBondContact O-N 3.05Å; V14-T18 PolarHBondContact O-OG1 2.91Å; V14-M93 HydrophobicContact CG2-CE 4.45Å |
| 15 | D | 98.6 | Very high | 98.4 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 176.5 | -69.4 | -23.4 | 0 | 0 | 0 | 110.9 | K11 E12 L13 T18 K19 | K11-D15 PolarHBondContact O-N 3.47Å; E12-D15 PolarHBondContact O-N 2.66Å; L13-D15 VanDerWaalsContact C-N 3.34Å; D15-T18 PolarHBondContact O-N 2.63Å; D15-K19 PolarHBondContact O-N 3.48Å |
| 16 | Y | 98.8 | Very high | 98.4 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 14% | 0.137 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175 | 175 | -95.1 | 0 | 0 | 0 | 112.7 | E12 L13 T18 K19 Y20 F57 V60 E61 M65 | E12-Y16 WeakPolarHBondContact O-CB 3.32Å; E12-Y16 PolarHBondContact O-N 2.8Å; L13-Y16 HydrophobicContact CD1-CD1 4.33Å; L13-Y16 PolarHBondContact O-N 3.29Å; Y16-T18 VanDerWaalsContact C-N 3.28Å; Y16-T18 PolarHBondContact O-N 3.01Å; Y16-K19 PolarHBondContact O-N 3.47Å; Y16-Y20 VanDerWaalsContact O-CB 3.29Å; Y16-Y20 WeakPolarHBondContact O-CB 3.35Å; Y16-Y20 PolarHBondContact O-N 3.05Å; Y16-F57 HydrophobicContact CD2-CE1 4.47Å; Y16-F57 HydrophobicContact CD2-CZ 4.27Å; Y16-F57 AromaticContact CG-CZ 3.96Å; Y16-F57 HydrophobicContact CG-CZ 3.96Å; Y16-V60 HydrophobicContact CE1-CG1 4.08Å; Y16-V60 WeakPolarHBondContact OH-CG1 3.4Å; Y16-E61 HydrophobicContact CE2-CG 3.99Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.2Å; Y16-E61 PolarHBondContact OH-OE1 3.24Å; Y16-M65 HydrophobicContact CE1-CE 4.12Å; Y16-M65 WeakPolarHBondContact OH-CE 3.46Å |
| 17 | I | 98.8 | Very high | 98.4 | Very high | 47 Ų | 47 | 70.7 Ų | 70.7 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 178.6 | -71.6 | 165.8 | 0 | 0 | 0 | 110.4 | L13 V14 Y20 L21 W86 M89 | L13-I17 HydrophobicContact CD1-CD1 4.11Å; L13-I17 HydrophobicContact CD1-CG1 4.21Å; L13-I17 HydrophobicContact CG-CD1 3.88Å; L13-I17 HydrophobicContact CG-CG1 4.42Å; L13-I17 WeakPolarHBondContact O-CB 3.5Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 2.62Å; V14-I17 PolarHBondContact O-N 3.17Å; I17-Y20 PolarHBondContact O-N 2.83Å; I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 HydrophobicContact CG2-CG 4.45Å; I17-L21 WeakPolarHBondContact O-CB 3.46Å; I17-L21 PolarHBondContact O-N 3Å; I17-W86 HydrophobicContact CG2-CZ3 4.42Å; I17-M89 HydrophobicContact CG2-CE 3.89Å; I17-M89 HydrophobicContact CG2-SD 3.86Å |
| 18 | T | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | V14 D15 Y16 S22 | V14-T18 WeakPolarHBondContact O-CB 3.34Å; V14-T18 PolarHBondContact O-N 3.05Å; V14-T18 PolarHBondContact O-OG1 2.91Å; D15-T18 PolarHBondContact O-N 2.63Å; Y16-T18 VanDerWaalsContact C-N 3.28Å; Y16-T18 PolarHBondContact O-N 3.01Å; T18-S22 VanDerWaalsContact O-CB 3.27Å; T18-S22 WeakPolarHBondContact O-CB 3.48Å; T18-S22 PolarHBondContact O-N 3.17Å; T18-S22 PolarHBondContact O-OG 3.15Å |
| 19 | K | 98.6 | Very high | 98.4 | Very high | 151 Ų | 151 | 65.1 Ų | 65.1 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.6 | -49.9 | 175.6 | -174.8 | 179.7 | 178.3 | -175.6 | 0 | 111.5 | D15 Y16 L21 S22 S23 | D15-K19 PolarHBondContact O-N 3.48Å; Y16-K19 PolarHBondContact O-N 3.47Å; K19-L21 PolarHBondContact O-N 3.45Å; K19-S22 PolarHBondContact O-N 3.5Å; K19-S22 PolarHBondContact O-OG 3.4Å; K19-S22 VanDerWaalsContact O-OG 3.05Å; K19-S23 PolarHBondContact O-N 3.5Å; K19-S23 PolarHBondContact O-OG 3.22Å; K19-S23 VanDerWaalsContact O-OG 3.13Å |
| 20 | Y | 98.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 65.7 Ų | 65.7 | 12% | 0.122 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.6 | -50.6 | -179 | 166.9 | -111.5 | 0 | 0 | 0 | 112.5 | Y16 I17 I24 M65 H70 | Y16-Y20 VanDerWaalsContact O-CB 3.29Å; Y16-Y20 WeakPolarHBondContact O-CB 3.35Å; Y16-Y20 PolarHBondContact O-N 3.05Å; I17-Y20 PolarHBondContact O-N 2.83Å; Y20-I24 HydrophobicContact CE1-CD1 4.21Å; Y20-I24 HydrophobicContact CE2-CD1 4.23Å; Y20-I24 HydrophobicContact CE2-CG1 4.34Å; Y20-I24 WeakPolarHBondContact O-CA 3.46Å; Y20-I24 WeakPolarHBondContact O-CB 3.35Å; Y20-I24 PolarHBondContact O-N 3.24Å; Y20-I24 VanDerWaalsContact O-N 3.13Å; Y20-M65 HydrophobicContact CD2-CE 4.15Å; Y20-M65 HydrophobicContact CE2-CE 4.02Å; Y20-M65 HydrophobicContact CE2-SD 4.07Å; Y20-H70 AromaticContact CE2-CE1 3.78Å; Y20-H70 AromaticContact CE2-ND1 3.52Å; Y20-H70 AromaticContact CZ-ND1 3.65Å; Y20-H70 PolarHBondContact OH-ND1 2.86Å |
| 21 | L | 98.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.7 | -31.7 | -177.6 | -71.5 | 177.2 | 0 | 0 | 0 | 112.6 | I17 K19 I24 Q72 T84 W86 M89 | I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 HydrophobicContact CG2-CG 4.45Å; I17-L21 WeakPolarHBondContact O-CB 3.46Å; I17-L21 PolarHBondContact O-N 3Å; K19-L21 PolarHBondContact O-N 3.45Å; L21-I24 HydrophobicContact CD2-CD1 4.45Å; L21-I24 WeakPolarHBondContact O-CG2 3.31Å; L21-Q72 HydrophobicContact CD2-CB 3.86Å; L21-Q72 HydrophobicContact CD2-CG 3.84Å; L21-T84 HydrophobicContact CD1-CG2 4.13Å; L21-T84 HydrophobicContact CD2-CG2 4.34Å; L21-W86 HydrophobicContact CB-CH2 3.61Å; L21-W86 HydrophobicContact CB-CZ2 4.49Å; L21-W86 HydrophobicContact CB-CZ3 4.14Å; L21-W86 HydrophobicContact CD1-CE3 4.26Å; L21-W86 HydrophobicContact CD1-CH2 3.79Å; L21-W86 HydrophobicContact CD1-CZ3 3.51Å; L21-W86 HydrophobicContact CG-CH2 4.34Å; L21-W86 HydrophobicContact CG-CZ3 4.42Å; L21-M89 HydrophobicContact CD1-CE 3.73Å; L21-M89 HydrophobicContact CD1-SD 4.21Å |
| 22 | S | 98.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -75.2 | -32 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | T18 K19 | T18-S22 VanDerWaalsContact O-CB 3.27Å; T18-S22 WeakPolarHBondContact O-CB 3.48Å; T18-S22 PolarHBondContact O-N 3.17Å; T18-S22 PolarHBondContact O-OG 3.15Å; K19-S22 PolarHBondContact O-N 3.5Å; K19-S22 PolarHBondContact O-OG 3.4Å; K19-S22 VanDerWaalsContact O-OG 3.05Å |
| 23 | S | 98.2 | Very high | 98 | Very high | 23 Ų | 23 | 64.3 Ų | 64.3 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -100.6 | 10.1 | 178.4 | 79.6 | 0 | 0 | 0 | 0 | 114.1 | K19 R25 E26 | K19-S23 PolarHBondContact O-N 3.5Å; K19-S23 PolarHBondContact O-OG 3.22Å; K19-S23 VanDerWaalsContact O-OG 3.13Å; S23-R25 PolarHBondContact O-N 3.38Å; S23-E26 WeakPolarHBondContact O-CB 3.16Å; S23-E26 PolarHBondContact O-N 3.47Å |
| 24 | I | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -60.1 | -23.6 | -170.4 | -159.6 | 167.6 | 0 | 0 | 0 | 114.7 | Y20 L21 E26 R27 H70 Q72 | Y20-I24 HydrophobicContact CE1-CD1 4.21Å; Y20-I24 HydrophobicContact CE2-CD1 4.23Å; Y20-I24 HydrophobicContact CE2-CG1 4.34Å; Y20-I24 WeakPolarHBondContact O-CA 3.46Å; Y20-I24 WeakPolarHBondContact O-CB 3.35Å; Y20-I24 PolarHBondContact O-N 3.24Å; Y20-I24 VanDerWaalsContact O-N 3.13Å; L21-I24 HydrophobicContact CD2-CD1 4.45Å; L21-I24 WeakPolarHBondContact O-CG2 3.31Å; I24-E26 PolarHBondContact O-N 3.32Å; I24-R27 PolarHBondContact O-N 3.45Å; I24-H70 HydrophobicContact CD1-CB 4.09Å; I24-H70 HydrophobicContact CG1-CB 4.16Å; I24-Q72 HydrophobicContact CD1-CB 3.65Å |
| 25 | R | 98.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 72.6 Ų | 72.6 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -60.1 | -26.4 | 174.3 | -74.5 | -179.2 | 173.7 | 79.9 | 1.6 | 113.2 | S23 R27 P74 F454 D459 | S23-R25 PolarHBondContact O-N 3.38Å; R25-R27 VanDerWaalsContact C-N 3.28Å; R25-P74 HydrophobicContact CG-CG 3.82Å; R25-F454 PolarHBondContact NH2-O 3.3Å; R25-D459 IonicContact CZ-OD1 3.41Å; R25-D459 IonicContact CZ-OD2 3.58Å; R25-D459 IonicContact NE-OD1 2.83Å; R25-D459 PolarHBondContact NE-OD1 3.22Å; R25-D459 IonicContact NE-OD2 3.84Å; R25-D459 PolarHBondContact NE-OD2 3.01Å; R25-D459 IonicContact NH2-OD1 3.62Å; R25-D459 IonicContact NH2-OD2 3.38Å; R25-D459 PolarHBondContact NH2-OD2 3.35Å |
| 26 | E | 97.6 | Very high | 97.8 | Very high | 167 Ų | 167 | 70 Ų | 70 | 78% | 0.78 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -77.5 | -17.1 | -178.7 | -61.2 | 169.9 | -169.1 | 0 | 0 | 112.2 | S23 I24 | S23-E26 WeakPolarHBondContact O-CB 3.16Å; S23-E26 PolarHBondContact O-N 3.47Å; I24-E26 PolarHBondContact O-N 3.32Å |
| 27 | R | 97.8 | Very high | 97.8 | Very high | 59 Ų | 59 | 71 Ų | 71 | 22% | 0.223 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -85.9 | 145.5 | -176.7 | -60.6 | -166.8 | 178.9 | -112.8 | 0.5 | 111.8 | I24 R25 V29 E61 H70 | I24-R27 PolarHBondContact O-N 3.45Å; R25-R27 VanDerWaalsContact C-N 3.28Å; R27-V29 PolarHBondContact O-N 3.41Å; R27-E61 IonicContact CZ-OE1 3.94Å; R27-E61 IonicContact CZ-OE2 3.61Å; R27-E61 IonicContact NH1-OE1 2.81Å; R27-E61 IonicContact NH1-OE2 3.64Å; R27-E61 PolarHBondContact NH1-OE2 3.34Å; R27-E61 IonicContact NH2-OE1 3.71Å; R27-E61 PolarHBondContact NH2-OE1 3.44Å; R27-E61 IonicContact NH2-OE2 2.67Å; R27-E61 PolarHBondContact NH2-OE2 3.08Å; R27-H70 VanDerWaalsContact CD-CE1 3.42Å; R27-H70 WeakPolarHBondContact CD-CE1 3.36Å; R27-H70 VanDerWaalsContact CD-NE2 3.35Å; R27-H70 WeakPolarHBondContact CD-NE2 3.33Å |
| 28 | R | 97.6 | Very high | 97.7 | Very high | 94 Ų | 94 | 71.7 Ų | 71.7 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | trans | -64.6 | 115.6 | 168.7 | -174 | -173.4 | 170.2 | 146.5 | -4.9 | 109.1 | I30 D32 H70 G431 | R28-I30 VanDerWaalsContact C-N 3.33Å; R28-I30 VanDerWaalsContact CD-O 3.22Å; R28-I30 WeakPolarHBondContact CD-O 3.38Å; R28-I30 VanDerWaalsContact CG-O 3.26Å; R28-I30 WeakPolarHBondContact CG-O 3.5Å; R28-I30 PolarHBondContact NE-O 2.96Å; R28-I30 PolarHBondContact O-N 3.19Å; R28-D32 VanDerWaalsContact CZ-CB 3.47Å; R28-D32 IonicContact CZ-OD2 2.82Å; R28-D32 IonicContact NH1-OD2 3.32Å; R28-D32 PolarHBondContact NH1-OD2 3.4Å; R28-D32 VanDerWaalsContact NH2-CG 3.35Å; R28-D32 IonicContact NH2-OD1 3.52Å; R28-D32 IonicContact NH2-OD2 2.71Å; R28-D32 PolarHBondContact NH2-OD2 2.64Å; R28-H70 PolarHBondContact O-CD2 3.35Å; R28-H70 VanDerWaalsContact O-CD2 3.23Å; R28-G431 CarbonylContact C-O 3.48Å; R28-G431 VanDerWaalsContact CG-O 3.24Å; R28-G431 WeakPolarHBondContact CG-O 3.27Å | ||
| 29 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -60.1 | -41 | -172.9 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | R27 V69 H70 H75 M76 G431 T432 | R27-V29 PolarHBondContact O-N 3.41Å; V29-V69 VanDerWaalsContact O-CA 3.32Å; V29-V69 WeakPolarHBondContact O-CA 3.49Å; V29-H70 PolarHBondContact O-N 2.93Å; V29-H75 HydrophobicContact CG2-CB 3.67Å; V29-M76 HydrophobicContact CG1-CB 4.14Å; V29-M76 HydrophobicContact CG1-SD 4.3Å; V29-G431 PolarHBondContact N-O 3.32Å; V29-T432 WeakPolarHBondContact CG2-O 3.21Å |
| 30 | I | 97.1 | Very high | 97.4 | Very high | 22 Ų | 22 | 79.7 Ų | 79.7 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -110.5 | 127.5 | 179.9 | -50.2 | 178.6 | 0 | 0 | 0 | 109.2 | R28 T428 Y434 | R28-I30 VanDerWaalsContact C-N 3.33Å; R28-I30 VanDerWaalsContact CD-O 3.22Å; R28-I30 WeakPolarHBondContact CD-O 3.38Å; R28-I30 VanDerWaalsContact CG-O 3.26Å; R28-I30 WeakPolarHBondContact CG-O 3.5Å; R28-I30 PolarHBondContact NE-O 2.96Å; R28-I30 PolarHBondContact O-N 3.19Å; I30-T428 HydrophobicContact CD1-CG2 3.34Å; I30-Y434 HydrophobicContact CD1-CD1 4.02Å; I30-Y434 HydrophobicContact CD1-CD2 3.18Å; I30-Y434 HydrophobicContact CD1-CE1 4.48Å; I30-Y434 HydrophobicContact CD1-CE2 3.76Å; I30-Y434 HydrophobicContact CD1-CG 3.33Å; I30-Y434 HydrophobicContact CG1-CD1 3.81Å; I30-Y434 HydrophobicContact CG1-CD2 3.91Å; I30-Y434 HydrophobicContact CG1-CE1 4.43Å; I30-Y434 HydrophobicContact CG1-CG 3.5Å |
| 31 | P | 96.6 | Very high | 97.3 | Very high | 26 Ų | 26 | 82.1 Ų | 82.1 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | trans | -67.4 | 153.6 | -178.8 | 30.7 | -37.7 | 0 | 0 | 0 | 112.8 | V33 P66 V69 | P31-V33 HydrophobicContact CB-CG1 4.44Å; P31-V33 HydrophobicContact CB-CG2 3.99Å; P31-V33 HydrophobicContact CG-CG2 4.09Å; P31-V33 PolarHBondContact O-N 3.4Å; P31-P66 WeakPolarHBondContact CB-O 3.46Å; P31-V69 HydrophobicContact CG-CG2 4.31Å | ||
| 32 | D | 95.9 | Very high | 97.3 | Very high | 126 Ų | 126 | 84.9 Ų | 84.9 | 67% | 0.674 | 43% | 0.428 | S | S | * | . | trans | -98.5 | 61.5 | 176 | -152.1 | -11.4 | 0 | 0 | 0 | 111.4 | R28 | R28-D32 VanDerWaalsContact CZ-CB 3.47Å; R28-D32 IonicContact CZ-OD2 2.82Å; R28-D32 IonicContact NH1-OD2 3.32Å; R28-D32 PolarHBondContact NH1-OD2 3.4Å; R28-D32 VanDerWaalsContact NH2-CG 3.35Å; R28-D32 IonicContact NH2-OD1 3.52Å; R28-D32 IonicContact NH2-OD2 2.71Å; R28-D32 PolarHBondContact NH2-OD2 2.64Å | ||
| 33 | V | 96.5 | Very high | 97.2 | Very high | 56 Ų | 56 | 85.6 Ų | 85.6 | 34% | 0.339 | 43% | 0.431 | S | S | . | . | trans | -128.1 | 155.8 | -174.6 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | P31 Y37 | P31-V33 HydrophobicContact CB-CG1 4.44Å; P31-V33 HydrophobicContact CB-CG2 3.99Å; P31-V33 HydrophobicContact CG-CG2 4.09Å; P31-V33 PolarHBondContact O-N 3.4Å; V33-Y37 HydrophobicContact CB-CD1 3.61Å; V33-Y37 HydrophobicContact CB-CD2 4.16Å; V33-Y37 HydrophobicContact CB-CE1 4.09Å; V33-Y37 HydrophobicContact CB-CG 3.67Å; V33-Y37 HydrophobicContact CG1-CD1 4.13Å; V33-Y37 HydrophobicContact CG1-CD2 3.81Å; V33-Y37 HydrophobicContact CG1-CE1 4.37Å; V33-Y37 HydrophobicContact CG1-CE2 4.06Å; V33-Y37 HydrophobicContact CG1-CG 3.87Å; V33-Y37 HydrophobicContact CG2-CD1 3.67Å; V33-Y37 HydrophobicContact CG2-CE1 3.74Å; V33-Y37 HydrophobicContact CG2-CG 4.24Å | ||
| 34 | K | 96.6 | Very high | 97.2 | Very high | 169 Ų | 169 | 93.6 Ų | 93.6 | 74% | 0.735 | 47% | 0.465 | S | S | * | . | trans | -102.4 | 154.9 | 172.6 | -67.8 | -179.6 | -177.6 | 174.7 | 0 | 110.4 | G36 Y37 | K34-G36 PolarHBondContact O-N 3.34Å; K34-Y37 WeakPolarHBondContact O-CB 3.49Å; K34-Y37 PolarHBondContact O-N 3.28Å; K34-Y37 VanDerWaalsContact O-N 3.13Å | ||
| 35 | P | 98.1 | Very high | 97.1 | Very high | 140 Ų | 140 | 97 Ų | 97 | 91% | 0.909 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 129.7 | 172.3 | -26.9 | 35.5 | 0 | 0 | 0 | 111.4 | ||
| 36 | G | 97.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 97 Ų | 97 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | -9.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K34 M38 R39 | K34-G36 PolarHBondContact O-N 3.34Å; G36-M38 VanDerWaalsContact C-N 3.25Å; G36-M38 PolarHBondContact O-N 3.39Å; G36-M38 VanDerWaalsContact O-N 3.09Å; G36-R39 WeakPolarHBondContact O-CB 3.33Å; G36-R39 PolarHBondContact O-N 2.91Å |
| 37 | Y | 97.3 | Very high | 97.1 | Very high | 57 Ų | 57 | 92.7 Ų | 92.7 | 22% | 0.224 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -51.6 | -38.9 | -174 | 82.7 | -78.2 | 0 | 0 | 0 | 114.4 | V33 K34 R39 E40 L41 G67 | V33-Y37 HydrophobicContact CB-CD1 3.61Å; V33-Y37 HydrophobicContact CB-CD2 4.16Å; V33-Y37 HydrophobicContact CB-CE1 4.09Å; V33-Y37 HydrophobicContact CB-CG 3.67Å; V33-Y37 HydrophobicContact CG1-CD1 4.13Å; V33-Y37 HydrophobicContact CG1-CD2 3.81Å; V33-Y37 HydrophobicContact CG1-CE1 4.37Å; V33-Y37 HydrophobicContact CG1-CE2 4.06Å; V33-Y37 HydrophobicContact CG1-CG 3.87Å; V33-Y37 HydrophobicContact CG2-CD1 3.67Å; V33-Y37 HydrophobicContact CG2-CE1 3.74Å; V33-Y37 HydrophobicContact CG2-CG 4.24Å; K34-Y37 WeakPolarHBondContact O-CB 3.49Å; K34-Y37 PolarHBondContact O-N 3.28Å; K34-Y37 VanDerWaalsContact O-N 3.13Å; Y37-R39 PolarHBondContact O-N 3.47Å; Y37-E40 PolarHBondContact O-N 3.13Å; Y37-L41 HydrophobicContact CD2-CD1 3.95Å; Y37-L41 HydrophobicContact CE2-CD1 4Å; Y37-G67 VanDerWaalsContact OH-CA 3.24Å; Y37-G67 WeakPolarHBondContact OH-CA 3.46Å |
| 38 | M | 96.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 96.5 Ų | 96.5 | 30% | 0.296 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -68.3 | -23.4 | -175.3 | -171.1 | 178.3 | -73.3 | 0 | 0 | 112.7 | G36 E40 L41 L42 V63 I64 | G36-M38 VanDerWaalsContact C-N 3.25Å; G36-M38 PolarHBondContact O-N 3.39Å; G36-M38 VanDerWaalsContact O-N 3.09Å; M38-E40 PolarHBondContact O-N 2.81Å; M38-L41 PolarHBondContact O-N 3.19Å; M38-L42 HydrophobicContact CG-CD1 3.71Å; M38-L42 HydrophobicContact CG-CG 4.08Å; M38-L42 PolarHBondContact O-N 3.23Å; M38-L42 HydrophobicContact SD-CD1 3.96Å; M38-V63 HydrophobicContact CG-CG1 4.23Å; M38-I64 HydrophobicContact CE-CD1 4.17Å |
| 39 | R | 96.9 | Very high | 97.2 | Very high | 206 Ų | 206 | 98.8 Ų | 98.8 | 78% | 0.777 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -61.9 | -33.8 | 179.7 | -176.7 | 175.5 | 179.3 | 162.6 | 1.4 | 112 | G36 Y37 L41 | G36-R39 WeakPolarHBondContact O-CB 3.33Å; G36-R39 PolarHBondContact O-N 2.91Å; Y37-R39 PolarHBondContact O-N 3.47Å; R39-L41 VanDerWaalsContact C-N 3.27Å |
| 40 | E | 95.4 | Very high | 97.2 | Very high | 180 Ų | 180 | 104.5 Ų | 104.5 | 84% | 0.841 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -79.3 | -12.3 | 178.4 | -63.1 | 179.2 | 177.6 | 0 | 0 | 112.5 | Y37 M38 | Y37-E40 PolarHBondContact O-N 3.13Å; M38-E40 PolarHBondContact O-N 2.81Å |
| 41 | L | 96.3 | Very high | 97.2 | Very high | 82 Ų | 82 | 108.3 Ų | 108.3 | 43% | 0.429 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | -11.4 | -178.9 | -58.3 | -179.8 | 0 | 0 | 0 | 113.3 | Y37 M38 R39 V63 | Y37-L41 HydrophobicContact CD2-CD1 3.95Å; Y37-L41 HydrophobicContact CE2-CD1 4Å; M38-L41 PolarHBondContact O-N 3.19Å; R39-L41 VanDerWaalsContact C-N 3.27Å; L41-V63 HydrophobicContact CB-CG1 3.81Å; L41-V63 HydrophobicContact CB-CG2 4.3Å; L41-V63 HydrophobicContact CD1-CG1 4.18Å |
| 42 | L | 97.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 112.4 Ų | 112.4 | 45% | 0.445 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -114.7 | 150.3 | -176.8 | -68.5 | 176.3 | 0 | 0 | 0 | 111.3 | M38 V63 | M38-L42 HydrophobicContact CG-CD1 3.71Å; M38-L42 HydrophobicContact CG-CG 4.08Å; M38-L42 PolarHBondContact O-N 3.23Å; M38-L42 HydrophobicContact SD-CD1 3.96Å; L42-V63 HydrophobicContact CD2-CG1 4.08Å; L42-V63 HydrophobicContact CG-CG1 4.4Å |
| 43 | P | 96.8 | Very high | 97.4 | Very high | 97 Ų | 97 | 109.5 Ų | 109.5 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | trans | -58.3 | 149.8 | 166.6 | -22 | 33.8 | 0 | 0 | 0 | 111.8 | A45 | P43-A45 PolarHBondContact O-N 3.31Š| ||
| 44 | E | 97.6 | Very high | 97.4 | Very high | 190 Ų | 190 | 110.7 Ų | 110.7 | 89% | 0.888 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -69.5 | -19.8 | 178.6 | -64.8 | -164.1 | 145.2 | 0 | 0 | 113.7 | ||
| 45 | A | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 106.5 Ų | 106.5 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -136.8 | 155.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P43 | P43-A45 PolarHBondContact O-N 3.31Š|
| 46 | A | 98.1 | Very high | 97.5 | Very high | 87 Ų | 87 | 103.5 Ų | 103.5 | 72% | 0.719 | 56% | 0.562 | S | S | * | * | trans | -61.8 | 147.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 47 | P | 97.9 | Very high | 97.6 | Very high | 75 Ų | 75 | 102.2 Ų | 102.2 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | trans | -66.4 | 141.9 | 179.5 | 32.5 | -38.6 | 0 | 0 | 0 | 110.3 | E49 E51 | P47-E49 WeakPolarHBondContact CB-O 3.28Å; P47-E51 HydrophobicContact CB-CG 4.11Å; P47-E51 HydrophobicContact CG-CG 4.19Å | ||
| 48 | T | 98.2 | Very high | 97.6 | Very high | 139 Ų | 139 | 104.4 Ų | 104.4 | 85% | 0.853 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -76.2 | -37.6 | 176 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 49 | E | 98.3 | Very high | 97.7 | Very high | 142 Ų | 142 | 103.9 Ų | 103.9 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -105.1 | 154.4 | 177 | -63.9 | -57.3 | 148.4 | 0 | 0 | 109.9 | P47 | P47-E49 WeakPolarHBondContact CB-O 3.28Š|
| 50 | P | 97.9 | Very high | 97.7 | Very high | 120 Ų | 120 | 96 Ų | 96 | 78% | 0.779 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 139.3 | 174.9 | 27 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 51 | E | 98.1 | Very high | 97.8 | Very high | 102 Ų | 102 | 91.1 Ų | 91.1 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 155.2 | 171.4 | -64.7 | -178.6 | 100.2 | 0 | 0 | 111 | P47 I56 | P47-E51 HydrophobicContact CB-CG 4.11Å; P47-E51 HydrophobicContact CG-CG 4.19Å; E51-I56 HydrophobicContact CB-CD1 4.41Å; E51-I56 HydrophobicContact CB-CG1 4.29Å |
| 52 | D | 97.6 | Very high | 97.9 | Very high | 113 Ų | 113 | 94.2 Ų | 94.2 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 138 | 175.1 | -74.9 | -31.2 | 0 | 0 | 0 | 110.3 | E54 D55 I56 | D52-E54 PolarHBondContact O-N 2.99Å; D52-D55 PolarHBondContact O-N 3.1Å; D52-I56 PolarHBondContact O-N 2.62Å |
| 53 | W | 97.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 90.3 Ų | 90.3 | 24% | 0.242 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.9 | -34.6 | -177.8 | 177.9 | -88.6 | 0 | 0 | 0 | 112.4 | M1 R9 D55 I56 F57 | M1-W53 HydrophobicContact CE-CD2 3.64Å; M1-W53 HydrophobicContact CE-CE3 3.24Å; M1-W53 HydrophobicContact CE-CG 4.25Å; M1-W53 HydrophobicContact CE-CH2 4.26Å; M1-W53 HydrophobicContact CE-CZ3 3.59Å; R9-W53 HydrophobicContact CB-CD2 4.36Å; R9-W53 HydrophobicContact CB-CZ2 3.96Å; R9-W53 HydrophobicContact CG-CD2 3.9Å; R9-W53 HydrophobicContact CG-CG 3.78Å; R9-W53 HydrophobicContact CG-CZ2 4.41Å; W53-D55 PolarHBondContact O-N 2.9Å; W53-I56 HydrophobicContact CE3-CD1 4.4Å; W53-I56 PolarHBondContact O-N 3.1Å; W53-F57 HydrophobicContact CZ2-CD2 4.11Å; W53-F57 AromaticContact NE1-CD2 3.84Å; W53-F57 VanDerWaalsContact O-CB 3.31Å; W53-F57 WeakPolarHBondContact O-CB 3.19Å; W53-F57 PolarHBondContact O-N 2.83Å |
| 54 | E | 97.8 | Very high | 98 | Very high | 81 Ų | 81 | 89.3 Ų | 89.3 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -53.1 | -42.8 | 174 | -79.4 | 70.7 | -163.7 | 0 | 0 | 111.7 | R8 R9 D52 N58 | R8-E54 IonicContact NH1-OE1 3.81Å; R9-E54 IonicContact CZ-OE1 3.22Å; R9-E54 IonicContact CZ-OE2 3.14Å; R9-E54 IonicContact NH1-OE1 3.71Å; R9-E54 PolarHBondContact NH1-OE1 3.37Å; R9-E54 IonicContact NH1-OE2 2.8Å; R9-E54 IonicContact NH2-OE1 3.67Å; R9-E54 PolarHBondContact NH2-OE1 2.89Å; R9-E54 IonicContact NH2-OE2 2.66Å; R9-E54 PolarHBondContact NH2-OE2 3.49Å; D52-E54 PolarHBondContact O-N 2.99Å; E54-N58 VanDerWaalsContact O-CB 3.25Å; E54-N58 WeakPolarHBondContact O-CB 3.27Å; E54-N58 PolarHBondContact O-N 2.91Å; E54-N58 PolarHBondContact O-ND2 3.35Å |
| 55 | D | 97.9 | Very high | 98 | Very high | 82 Ų | 82 | 81.4 Ų | 81.4 | 44% | 0.439 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.5 | -46.7 | 179.3 | -65.8 | -33.3 | 0 | 0 | 0 | 110.9 | D52 W53 F57 N58 D59 | D52-D55 PolarHBondContact O-N 3.1Å; W53-D55 PolarHBondContact O-N 2.9Å; D55-F57 VanDerWaalsContact C-N 3.29Å; D55-F57 PolarHBondContact O-N 2.77Å; D55-N58 PolarHBondContact O-N 3.23Å; D55-D59 PolarHBondContact O-N 2.75Å |
| 56 | I | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 80.6 Ų | 80.6 | 40% | 0.395 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -55.8 | -45.3 | 175.8 | -60.6 | 171.8 | 0 | 0 | 0 | 110.9 | E51 D52 W53 D59 | E51-I56 HydrophobicContact CB-CD1 4.41Å; E51-I56 HydrophobicContact CB-CG1 4.29Å; D52-I56 PolarHBondContact O-N 2.62Å; W53-I56 HydrophobicContact CE3-CD1 4.4Å; W53-I56 PolarHBondContact O-N 3.1Å; I56-D59 PolarHBondContact O-N 2.92Å |
| 57 | F | 98.4 | Very high | 98 | Very high | 31 Ų | 31 | 77.5 Ų | 77.5 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.5 | -38.3 | -177.3 | -162.9 | -101.4 | 0 | 0 | 0 | 112.1 | E12 L13 Y16 W53 D55 D59 V60 | E12-F57 HydrophobicContact CG-CD1 4.5Å; E12-F57 HydrophobicContact CG-CE1 3.9Å; E12-F57 HydrophobicContact CG-CE2 4.39Å; E12-F57 HydrophobicContact CG-CZ 3.83Å; L13-F57 HydrophobicContact CB-CE2 4.36Å; L13-F57 HydrophobicContact CD1-CE2 4.04Å; Y16-F57 HydrophobicContact CD2-CE1 4.47Å; Y16-F57 HydrophobicContact CD2-CZ 4.27Å; Y16-F57 AromaticContact CG-CZ 3.96Å; Y16-F57 HydrophobicContact CG-CZ 3.96Å; W53-F57 HydrophobicContact CZ2-CD2 4.11Å; W53-F57 AromaticContact NE1-CD2 3.84Å; W53-F57 VanDerWaalsContact O-CB 3.31Å; W53-F57 WeakPolarHBondContact O-CB 3.19Å; W53-F57 PolarHBondContact O-N 2.83Å; D55-F57 VanDerWaalsContact C-N 3.29Å; D55-F57 PolarHBondContact O-N 2.77Å; F57-D59 VanDerWaalsContact C-N 3.28Å; F57-D59 PolarHBondContact O-N 3.36Å; F57-V60 VanDerWaalsContact O-CB 3.32Å; F57-V60 WeakPolarHBondContact O-CB 3.5Å; F57-V60 WeakPolarHBondContact O-CG2 3.42Å; F57-V60 PolarHBondContact O-N 3.29Å |
| 58 | N | 97.9 | Very high | 98 | Very high | 102 Ų | 102 | 75.8 Ų | 75.8 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 174.5 | -74.8 | -30.6 | 0 | 0 | 0 | 112 | E54 D55 V60 E61 K62 | E54-N58 VanDerWaalsContact O-CB 3.25Å; E54-N58 WeakPolarHBondContact O-CB 3.27Å; E54-N58 PolarHBondContact O-N 2.91Å; E54-N58 PolarHBondContact O-ND2 3.35Å; D55-N58 PolarHBondContact O-N 3.23Å; N58-V60 PolarHBondContact O-N 2.97Å; N58-E61 PolarHBondContact O-N 2.92Å; N58-K62 PolarHBondContact O-N 3Å |
| 59 | D | 98.3 | Very high | 98 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.1 | -17.3 | 177.9 | -83.1 | -12.9 | 0 | 0 | 0 | 113.5 | D55 I56 F57 E61 K62 V63 I64 | D55-D59 PolarHBondContact O-N 2.75Å; I56-D59 PolarHBondContact O-N 2.92Å; F57-D59 VanDerWaalsContact C-N 3.28Å; F57-D59 PolarHBondContact O-N 3.36Å; D59-E61 PolarHBondContact O-N 3.45Å; D59-K62 PolarHBondContact O-N 3.31Å; D59-K62 IonicContact OD1-NZ 3.84Å; D59-V63 HydrophobicContact CB-CB 4.44Å; D59-V63 HydrophobicContact CB-CG2 4.11Å; D59-V63 WeakPolarHBondContact O-CA 3.37Å; D59-V63 WeakPolarHBondContact O-CB 3.42Å; D59-V63 PolarHBondContact O-N 3.14Å; D59-I64 PolarHBondContact O-N 3.13Å |
| 60 | V | 98.3 | Very high | 98 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 24% | 0.242 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -58.1 | -48.5 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | Y16 F57 N58 I64 M65 | Y16-V60 HydrophobicContact CE1-CG1 4.08Å; Y16-V60 WeakPolarHBondContact OH-CG1 3.4Å; F57-V60 VanDerWaalsContact O-CB 3.32Å; F57-V60 WeakPolarHBondContact O-CB 3.5Å; F57-V60 WeakPolarHBondContact O-CG2 3.42Å; F57-V60 PolarHBondContact O-N 3.29Å; N58-V60 PolarHBondContact O-N 2.97Å; V60-I64 WeakPolarHBondContact O-CB 3.09Å; V60-I64 PolarHBondContact O-N 3.09Å; V60-M65 HydrophobicContact CG1-CE 4.14Å; V60-M65 HydrophobicContact CG1-CG 4.41Å; V60-M65 VanDerWaalsContact O-CG 3.31Å; V60-M65 WeakPolarHBondContact O-CG 3.04Å; V60-M65 PolarHBondContact O-N 3.17Å |
| 61 | E | 97.9 | Very high | 98.1 | Very high | 78 Ų | 78 | 63.1 Ų | 63.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -82.2 | -30.4 | 179.5 | -71.8 | -75.9 | -162.5 | 0 | 0 | 112.7 | Y16 R27 N58 D59 M65 P66 | Y16-E61 HydrophobicContact CE2-CG 3.99Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.2Å; Y16-E61 PolarHBondContact OH-OE1 3.24Å; R27-E61 IonicContact CZ-OE1 3.94Å; R27-E61 IonicContact CZ-OE2 3.61Å; R27-E61 IonicContact NH1-OE1 2.81Å; R27-E61 IonicContact NH1-OE2 3.64Å; R27-E61 PolarHBondContact NH1-OE2 3.34Å; R27-E61 IonicContact NH2-OE1 3.71Å; R27-E61 PolarHBondContact NH2-OE1 3.44Å; R27-E61 IonicContact NH2-OE2 2.67Å; R27-E61 PolarHBondContact NH2-OE2 3.08Å; N58-E61 PolarHBondContact O-N 2.92Å; D59-E61 PolarHBondContact O-N 3.45Å; E61-M65 WeakPolarHBondContact OE2-CB 3.41Å; E61-M65 WeakPolarHBondContact OE2-CG 3.43Å; E61-P66 WeakPolarHBondContact O-CD 3.41Å |
| 62 | K | 96.9 | Very high | 98.1 | Very high | 147 Ų | 147 | 59.7 Ų | 59.7 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | I | π-helix | trans | -81.1 | -38.3 | -175.7 | 179.3 | -174.9 | 161.6 | -151.5 | 0 | 113.3 | N58 D59 P66 | N58-K62 PolarHBondContact O-N 3Å; D59-K62 PolarHBondContact O-N 3.31Å; D59-K62 IonicContact OD1-NZ 3.84Å; K62-P66 WeakPolarHBondContact O-CG 3.46Å |
| 63 | V | 97.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -113.6 | -43.9 | -171.1 | -178 | 0 | 0 | 0 | 0 | 111.6 | M38 L41 L42 D59 | M38-V63 HydrophobicContact CG-CG1 4.23Å; L41-V63 HydrophobicContact CB-CG1 3.81Å; L41-V63 HydrophobicContact CB-CG2 4.3Å; L41-V63 HydrophobicContact CD1-CG1 4.18Å; L42-V63 HydrophobicContact CD2-CG1 4.08Å; L42-V63 HydrophobicContact CG-CG1 4.4Å; D59-V63 HydrophobicContact CB-CB 4.44Å; D59-V63 HydrophobicContact CB-CG2 4.11Å; D59-V63 WeakPolarHBondContact O-CA 3.37Å; D59-V63 WeakPolarHBondContact O-CB 3.42Å; D59-V63 PolarHBondContact O-N 3.14Å |
| 64 | I | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -81.8 | -60 | -173.2 | -52.3 | -58.4 | 0 | 0 | 0 | 111.6 | M38 D59 V60 P66 G67 V68 | M38-I64 HydrophobicContact CE-CD1 4.17Å; D59-I64 PolarHBondContact O-N 3.13Å; V60-I64 WeakPolarHBondContact O-CB 3.09Å; V60-I64 PolarHBondContact O-N 3.09Å; I64-P66 VanDerWaalsContact C-N 3.32Å; I64-G67 PolarHBondContact O-N 2.88Å; I64-G67 VanDerWaalsContact O-N 3.08Å; I64-V68 HydrophobicContact CG2-CG2 3.97Å; I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 3.05Å |
| 65 | M | 98.3 | Very high | 98.3 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -55.2 | -34.3 | -173.7 | -71.9 | -61.2 | 174.5 | 0 | 0 | 115.1 | Y16 Y20 V60 E61 G67 V68 | Y16-M65 HydrophobicContact CE1-CE 4.12Å; Y16-M65 WeakPolarHBondContact OH-CE 3.46Å; Y20-M65 HydrophobicContact CD2-CE 4.15Å; Y20-M65 HydrophobicContact CE2-CE 4.02Å; Y20-M65 HydrophobicContact CE2-SD 4.07Å; V60-M65 HydrophobicContact CG1-CE 4.14Å; V60-M65 HydrophobicContact CG1-CG 4.41Å; V60-M65 VanDerWaalsContact O-CG 3.31Å; V60-M65 WeakPolarHBondContact O-CG 3.04Å; V60-M65 PolarHBondContact O-N 3.17Å; E61-M65 WeakPolarHBondContact OE2-CB 3.41Å; E61-M65 WeakPolarHBondContact OE2-CG 3.43Å; M65-G67 PolarHBondContact O-N 2.87Å; M65-G67 VanDerWaalsContact O-N 3.13Å; M65-V68 PolarHBondContact O-N 2.81Å; M65-V68 VanDerWaalsContact O-N 3.09Å; M65-V68 HydrophobicContact SD-CB 4.27Å; M65-V68 HydrophobicContact SD-CG1 4.48Å; M65-V68 HydrophobicContact SD-CG2 4.09Å |
| 66 | P | 97.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 38% | 0.383 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -62 | -19.4 | 177.8 | -27.1 | 37.8 | 0 | 0 | 0 | 115.1 | P31 E61 K62 I64 | P31-P66 WeakPolarHBondContact CB-O 3.46Å; E61-P66 WeakPolarHBondContact O-CD 3.41Å; K62-P66 WeakPolarHBondContact O-CG 3.46Å; I64-P66 VanDerWaalsContact C-N 3.32Å |
| 67 | G | 97.9 | Very high | 98.3 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -113.4 | 10 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y37 I64 M65 | Y37-G67 VanDerWaalsContact OH-CA 3.24Å; Y37-G67 WeakPolarHBondContact OH-CA 3.46Å; I64-G67 PolarHBondContact O-N 2.88Å; I64-G67 VanDerWaalsContact O-N 3.08Å; M65-G67 PolarHBondContact O-N 2.87Å; M65-G67 VanDerWaalsContact O-N 3.13Å |
| 68 | V | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | trans | -79.1 | 131 | 174.5 | 170 | 0 | 0 | 0 | 0 | 109.5 | I64 M65 | I64-V68 HydrophobicContact CG2-CG2 3.97Å; I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 3.05Å; M65-V68 PolarHBondContact O-N 2.81Å; M65-V68 VanDerWaalsContact O-N 3.09Å; M65-V68 HydrophobicContact SD-CB 4.27Å; M65-V68 HydrophobicContact SD-CG1 4.48Å; M65-V68 HydrophobicContact SD-CG2 4.09Å | ||
| 69 | V | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | trans | -79.8 | 122.6 | 158.6 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | V29 P31 W71 M76 Y434 | V29-V69 VanDerWaalsContact O-CA 3.32Å; V29-V69 WeakPolarHBondContact O-CA 3.49Å; P31-V69 HydrophobicContact CG-CG2 4.31Å; V69-W71 PolarHBondContact O-N 2.9Å; V69-M76 HydrophobicContact CG1-SD 4.38Å; V69-Y434 HydrophobicContact CG1-CD1 3.82Å; V69-Y434 HydrophobicContact CG1-CE1 4.06Å; V69-Y434 HydrophobicContact CG2-CE1 4.5Å | ||
| 70 | H | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | trans | -82.9 | 78.1 | -174.7 | -66.1 | -61.4 | 0 | 0 | 0 | 112.2 | Y20 I24 R27 R28 V29 Q72 S73 | Y20-H70 AromaticContact CE2-CE1 3.78Å; Y20-H70 AromaticContact CE2-ND1 3.52Å; Y20-H70 AromaticContact CZ-ND1 3.65Å; Y20-H70 PolarHBondContact OH-ND1 2.86Å; I24-H70 HydrophobicContact CD1-CB 4.09Å; I24-H70 HydrophobicContact CG1-CB 4.16Å; R27-H70 VanDerWaalsContact CD-CE1 3.42Å; R27-H70 WeakPolarHBondContact CD-CE1 3.36Å; R27-H70 VanDerWaalsContact CD-NE2 3.35Å; R27-H70 WeakPolarHBondContact CD-NE2 3.33Å; R28-H70 PolarHBondContact O-CD2 3.35Å; R28-H70 VanDerWaalsContact O-CD2 3.23Å; V29-H70 PolarHBondContact O-N 2.93Å; H70-Q72 PolarHBondContact O-N 3.13Å; H70-S73 VanDerWaalsContact O-CB 3.23Å; H70-S73 WeakPolarHBondContact O-CB 3.31Å; H70-S73 PolarHBondContact O-N 3.29Å | ||
| 71 | W | 98.8 | Very high | 98.4 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 34% | 0.341 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.6 | -176.8 | -77.3 | 81.6 | 0 | 0 | 0 | 115.6 | V69 S73 M76 Y79 | V69-W71 PolarHBondContact O-N 2.9Å; W71-S73 VanDerWaalsContact C-N 3.35Å; W71-M76 HydrophobicContact CD2-CE 3.67Å; W71-M76 HydrophobicContact CE3-CE 3.5Å; W71-M76 VanDerWaalsContact CE3-CE 3.5Å; W71-M76 HydrophobicContact CG-CE 4.39Å; W71-M76 HydrophobicContact CH2-CE 3.91Å; W71-M76 HydrophobicContact CZ2-CE 4.06Å; W71-M76 HydrophobicContact CZ3-CE 3.63Å; W71-Y79 AromaticContact CH2-CD2 3.38Å; W71-Y79 HydrophobicContact CH2-CD2 3.38Å; W71-Y79 HydrophobicContact CH2-CE2 4.05Å; W71-Y79 AromaticContact CH2-CG 3.93Å; W71-Y79 HydrophobicContact CH2-CG 3.93Å; W71-Y79 AromaticContact CZ2-CD2 3.93Å; W71-Y79 HydrophobicContact CZ2-CD2 3.93Å; W71-Y79 HydrophobicContact CZ2-CE2 4.16Å; W71-Y79 HydrophobicContact CZ3-CD2 4.1Å |
| 72 | Q | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.6 | 179.9 | -46.1 | -54 | -55.7 | 0 | 0 | 112.9 | L21 I24 H70 S82 T84 S452 | L21-Q72 HydrophobicContact CD2-CB 3.86Å; L21-Q72 HydrophobicContact CD2-CG 3.84Å; I24-Q72 HydrophobicContact CD1-CB 3.65Å; H70-Q72 PolarHBondContact O-N 3.13Å; Q72-S82 PolarHBondContact NE2-O 2.98Å; Q72-T84 HydrophobicContact CG-CG2 3.95Å; Q72-S452 PolarHBondContact O-OG 2.88Å |
| 73 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -65.7 | 136.8 | 177.9 | -178 | 0 | 0 | 0 | 0 | 110.3 | H70 W71 H75 M76 T451 | H70-S73 VanDerWaalsContact O-CB 3.23Å; H70-S73 WeakPolarHBondContact O-CB 3.31Å; H70-S73 PolarHBondContact O-N 3.29Å; W71-S73 VanDerWaalsContact C-N 3.35Å; S73-H75 PolarHBondContact O-N 2.7Å; S73-H75 VanDerWaalsContact O-N 3.13Å; S73-H75 PolarHBondContact OG-N 2.84Å; S73-M76 VanDerWaalsContact O-CB 3.27Å; S73-M76 WeakPolarHBondContact O-CB 3.4Å; S73-M76 PolarHBondContact O-N 2.79Å; S73-T451 PolarHBondContact O-OG1 3.16Å |
| 74 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.9 | 167.9 | -26.5 | 36.7 | 0 | 0 | 0 | 113.8 | R25 H77 D459 | R25-P74 HydrophobicContact CG-CG 3.82Å; P74-H77 PolarHBondContact O-CE1 3.01Å; P74-H77 PolarHBondContact O-NE2 2.88Å; P74-D459 HydrophobicContact CB-CB 4.29Å |
| 75 | H | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5 | 178.7 | -51.2 | -51.7 | 0 | 0 | 0 | 113.1 | V29 S73 T432 M433 Y434 D459 D463 | V29-H75 HydrophobicContact CG2-CB 3.67Å; S73-H75 PolarHBondContact O-N 2.7Å; S73-H75 VanDerWaalsContact O-N 3.13Å; S73-H75 PolarHBondContact OG-N 2.84Å; H75-T432 VanDerWaalsContact CB-O 3.26Å; H75-T432 WeakPolarHBondContact CB-O 3.34Å; H75-M433 HydrophobicContact CB-CB 4.5Å; H75-M433 VanDerWaalsContact O-CA 3.22Å; H75-M433 WeakPolarHBondContact O-CA 3.27Å; H75-M433 WeakPolarHBondContact O-CB 3.44Å; H75-Y434 PolarHBondContact O-N 3Å; H75-Y434 VanDerWaalsContact O-N 3.12Å; H75-D459 IonicContact CE1-OD1 3.75Å; H75-D463 IonicContact CE1-OD1 3.52Å; H75-D463 IonicContact CE1-OD2 2.77Å; H75-D463 IonicContact CG-OD1 3.36Å; H75-D463 IonicContact CG-OD2 3.27Å; H75-D463 IonicContact ND1-OD1 3.76Å; H75-D463 PolarHBondContact ND1-OD1 3.38Å; H75-D463 IonicContact ND1-OD2 3.7Å; H75-D463 PolarHBondContact ND1-OD2 2.99Å |
| 76 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -80.2 | 112.8 | 167.6 | 173.5 | 60.5 | 173.3 | 0 | 0 | 109.1 | V29 V69 W71 S73 A78 Y79 Y434 T451 | V29-M76 HydrophobicContact CG1-CB 4.14Å; V29-M76 HydrophobicContact CG1-SD 4.3Å; V69-M76 HydrophobicContact CG1-SD 4.38Å; W71-M76 HydrophobicContact CD2-CE 3.67Å; W71-M76 HydrophobicContact CE3-CE 3.5Å; W71-M76 VanDerWaalsContact CE3-CE 3.5Å; W71-M76 HydrophobicContact CG-CE 4.39Å; W71-M76 HydrophobicContact CH2-CE 3.91Å; W71-M76 HydrophobicContact CZ2-CE 4.06Å; W71-M76 HydrophobicContact CZ3-CE 3.63Å; S73-M76 VanDerWaalsContact O-CB 3.27Å; S73-M76 WeakPolarHBondContact O-CB 3.4Å; S73-M76 PolarHBondContact O-N 2.79Å; M76-A78 HydrophobicContact CE-CB 3.72Å; M76-A78 HydrophobicContact SD-CB 3.98Å; M76-Y79 HydrophobicContact CE-CD2 3.88Å; M76-Y79 HydrophobicContact CE-CE2 4.47Å; M76-Y434 HydrophobicContact CE-CD1 4.15Å; M76-Y434 HydrophobicContact SD-CD1 3.72Å; M76-Y434 HydrophobicContact SD-CG 4.16Å; M76-T451 HydrophobicContact CG-CG2 4.33Å; M76-T451 WeakPolarHBondContact O-CB 3.41Å; M76-T451 WeakPolarHBondContact O-CG2 3.22Å; M76-T451 PolarHBondContact O-OG1 3.4Å |
| 77 | H | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -124.7 | 6.8 | -179.8 | -58.1 | -54.5 | 0 | 0 | 0 | 113.7 | P74 Y434 L435 F448 T449 D463 | P74-H77 PolarHBondContact O-CE1 3.01Å; P74-H77 PolarHBondContact O-NE2 2.88Å; H77-Y434 CarbonylContact C-O 3.57Å; H77-Y434 WeakPolarHBondContact CA-O 3.38Å; H77-Y434 WeakPolarHBondContact CB-O 3.36Å; H77-Y434 PolarHBondContact N-O 3.08Å; H77-L435 HydrophobicContact CB-CD2 3.57Å; H77-L435 HydrophobicContact CB-CG 4.46Å; H77-F448 HydrophobicContact CB-CD1 4.21Å; H77-F448 HydrophobicContact CB-CD2 4.16Å; H77-F448 HydrophobicContact CB-CE1 4.41Å; H77-F448 HydrophobicContact CB-CE2 4.37Å; H77-F448 HydrophobicContact CB-CG 4.08Å; H77-F448 AromaticContact CD2-CD2 3.99Å; H77-F448 AromaticContact CD2-CE2 3.37Å; H77-F448 WeakPolarHBondContact CD2-CE2 3.39Å; H77-F448 AromaticContact CD2-CZ 3.39Å; H77-F448 WeakPolarHBondContact CD2-CZ 3.04Å; H77-F448 AromaticContact CE1-CE1 3.39Å; H77-F448 WeakPolarHBondContact CE1-CE1 3.4Å; H77-F448 AromaticContact CE1-CZ 3.18Å; H77-F448 WeakPolarHBondContact CE1-CZ 3.48Å; H77-F448 AromaticContact CG-CD1 3.93Å; H77-F448 AromaticContact CG-CD2 3.96Å; H77-F448 AromaticContact CG-CE1 3.65Å; H77-F448 AromaticContact CG-CE2 3.69Å; H77-F448 AromaticContact CG-CZ 3.53Å; H77-F448 AromaticContact ND1-CD1 3.81Å; H77-F448 AromaticContact ND1-CE1 3.25Å; H77-F448 WeakPolarHBondContact ND1-CE1 3.35Å; H77-F448 AromaticContact ND1-CZ 3.41Å; H77-F448 WeakPolarHBondContact ND1-CZ 3.08Å; H77-F448 AromaticContact NE2-CE1 3.86Å; H77-F448 AromaticContact NE2-CE2 3.6Å; H77-F448 AromaticContact NE2-CZ 3.17Å; H77-F448 WeakPolarHBondContact NE2-CZ 3.49Å; H77-T449 VanDerWaalsContact CA-O 3.32Å; H77-T449 WeakPolarHBondContact CA-O 3.34Å; H77-T449 PolarHBondContact ND1-O 3.3Å; H77-T449 PolarHBondContact O-N 2.81Å; H77-D463 IonicContact NE2-OD2 3.05Å; H77-D463 PolarHBondContact NE2-OD2 3.09Å; H77-D463 VanDerWaalsContact NE2-OD2 3.08Å | ||
| 78 | A | 98.4 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -80.9 | 157.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M76 Y434 I436 | M76-A78 HydrophobicContact CE-CB 3.72Å; M76-A78 HydrophobicContact SD-CB 3.98Å; A78-Y434 HydrophobicContact CB-CD1 3.72Å; A78-Y434 HydrophobicContact CB-CD2 3.83Å; A78-Y434 HydrophobicContact CB-CE1 4.1Å; A78-Y434 HydrophobicContact CB-CE2 4.18Å; A78-Y434 HydrophobicContact CB-CG 3.58Å; A78-Y434 PolarHBondContact N-O 3.46Å; A78-I436 HydrophobicContact CB-CB 4.49Å; A78-I436 HydrophobicContact CB-CG1 4.28Å; A78-I436 HydrophobicContact CB-CG2 3.68Å |
| 79 | Y | 98.6 | Very high | 98.8 | Very high | 100 Ų | 100 | 23.3 Ų | 23.3 | 39% | 0.392 | 11% | 0.106 | S | C | . | . | S | Bend | trans | 54.8 | -139.2 | 176.8 | -49.5 | -75.8 | 0 | 0 | 0 | 112.4 | W71 M76 Y434 I436 R447 T449 | W71-Y79 AromaticContact CH2-CD2 3.38Å; W71-Y79 HydrophobicContact CH2-CD2 3.38Å; W71-Y79 HydrophobicContact CH2-CE2 4.05Å; W71-Y79 AromaticContact CH2-CG 3.93Å; W71-Y79 HydrophobicContact CH2-CG 3.93Å; W71-Y79 AromaticContact CZ2-CD2 3.93Å; W71-Y79 HydrophobicContact CZ2-CD2 3.93Å; W71-Y79 HydrophobicContact CZ2-CE2 4.16Å; W71-Y79 HydrophobicContact CZ3-CD2 4.1Å; M76-Y79 HydrophobicContact CE-CD2 3.88Å; M76-Y79 HydrophobicContact CE-CE2 4.47Å; Y79-Y434 HydrophobicContact CE2-CE1 4.02Å; Y79-Y434 PolarHBondContact OH-OH 3.17Å; Y79-I436 HydrophobicContact CD1-CD1 3.47Å; Y79-I436 VanDerWaalsContact CD1-CD1 3.47Å; Y79-I436 HydrophobicContact CE1-CD1 3.75Å; Y79-I436 HydrophobicContact CE1-CG2 4.5Å; Y79-I436 HydrophobicContact CE2-CG2 4.4Å; Y79-I436 HydrophobicContact CG-CD1 3.93Å; Y79-I436 VanDerWaalsContact N-CD1 3.28Å; Y79-R447 PolarHBondContact O-NH1 2.96Å; Y79-R447 PolarHBondContact O-NH2 3.23Å; Y79-T449 PolarHBondContact O-OG1 3.26Å |
| 80 | Y | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 5% | 0.047 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -112.2 | 163.7 | 161 | -81.8 | -55 | 0 | 0 | 0 | 109.2 | T247 C251 Y276 L408 T449 | Y80-T247 PolarHBondContact OH-O 3.32Å; Y80-C251 WeakPolarHBondContact OH-CB 3.32Å; Y80-Y276 AromaticContact CD1-CD1 3.63Å; Y80-Y276 HydrophobicContact CD1-CD1 3.63Å; Y80-Y276 AromaticContact CD1-CD2 3.34Å; Y80-Y276 HydrophobicContact CD1-CD2 3.34Å; Y80-Y276 AromaticContact CD1-CE1 3.9Å; Y80-Y276 HydrophobicContact CD1-CE1 3.9Å; Y80-Y276 AromaticContact CD1-CE2 3.65Å; Y80-Y276 HydrophobicContact CD1-CE2 3.65Å; Y80-Y276 AromaticContact CD1-CG 3.32Å; Y80-Y276 HydrophobicContact CD1-CG 3.32Å; Y80-Y276 AromaticContact CD1-CZ 3.91Å; Y80-Y276 HydrophobicContact CD2-CG 4.05Å; Y80-Y276 AromaticContact CE1-CD1 3.1Å; Y80-Y276 HydrophobicContact CE1-CD1 3.1Å; Y80-Y276 AromaticContact CE1-CD2 3.8Å; Y80-Y276 HydrophobicContact CE1-CD2 3.8Å; Y80-Y276 AromaticContact CE1-CE1 3.36Å; Y80-Y276 HydrophobicContact CE1-CE1 3.36Å; Y80-Y276 HydrophobicContact CE1-CE2 4.03Å; Y80-Y276 AromaticContact CE1-CG 3.33Å; Y80-Y276 HydrophobicContact CE1-CG 3.33Å; Y80-Y276 AromaticContact CE1-CZ 3.82Å; Y80-Y276 HydrophobicContact CE2-CD1 4.16Å; Y80-Y276 AromaticContact CE2-CG 3.99Å; Y80-Y276 HydrophobicContact CE2-CG 3.99Å; Y80-Y276 HydrophobicContact CG-CD1 4.36Å; Y80-Y276 AromaticContact CG-CD2 3.77Å; Y80-Y276 HydrophobicContact CG-CD2 3.77Å; Y80-Y276 HydrophobicContact CG-CE2 4.46Å; Y80-Y276 AromaticContact CG-CG 3.7Å; Y80-Y276 HydrophobicContact CG-CG 3.7Å; Y80-Y276 AromaticContact CZ-CD1 3.39Å; Y80-Y276 AromaticContact CZ-CG 3.65Å; Y80-L408 HydrophobicContact CE1-CB 4.25Å; Y80-L408 HydrophobicContact CE1-CD2 4.18Å; Y80-T449 HydrophobicContact CD1-CG2 4.05Å |
| 81 | P | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | trans | -62.7 | 155.8 | -176.7 | -15 | 30.3 | 0 | 0 | 0 | 111 | L83 Y276 K305 W306 T449 T451 | P81-L83 HydrophobicContact CB-CD1 4.42Å; P81-L83 HydrophobicContact CB-CD2 4.02Å; P81-L83 HydrophobicContact CB-CG 3.87Å; P81-Y276 HydrophobicContact CG-CE2 4.09Å; P81-K305 CarbonylContact C-O 3.56Å; P81-K305 CarbonylContact O-C 3.58Å; P81-K305 WeakPolarHBondContact O-CA 3.28Å; P81-K305 WeakPolarHBondContact O-CB 3.28Å; P81-K305 WeakPolarHBondContact O-CG 3.47Å; P81-W306 HydrophobicContact CG-CG 4.33Å; P81-T449 HydrophobicContact CG-CG2 3.92Å; P81-T451 HydrophobicContact CB-CG2 3.94Å; P81-T451 HydrophobicContact CG-CG2 3.96Å | ||
| 82 | S | 98.6 | Very high | 98.8 | Very high | 31 Ų | 31 | 22.2 Ų | 22.2 | 22% | 0.217 | 11% | 0.105 | C | C | . | . | trans | -135.9 | 79 | 166.3 | 172.6 | 0 | 0 | 0 | 0 | 108 | Q72 S304 | Q72-S82 PolarHBondContact NE2-O 2.98Å; S82-S304 WeakPolarHBondContact CA-O 3.48Å | ||
| 83 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -86 | 134.4 | -166 | -59.6 | -176.4 | 0 | 0 | 0 | 113.2 | P81 K305 M308 V309 T451 | P81-L83 HydrophobicContact CB-CD1 4.42Å; P81-L83 HydrophobicContact CB-CD2 4.02Å; P81-L83 HydrophobicContact CB-CG 3.87Å; L83-K305 PolarHBondContact N-O 3.3Å; L83-M308 HydrophobicContact CB-CB 4.37Å; L83-M308 HydrophobicContact CB-CG 4.19Å; L83-M308 HydrophobicContact CD1-CG 4.04Å; L83-M308 CarbonylContact O-C 3.58Å; L83-M308 WeakPolarHBondContact O-CA 3.39Å; L83-V309 CarbonylContact O-C 3.52Å; L83-V309 VanDerWaalsContact O-C 3.32Å; L83-T451 WeakPolarHBondContact CD1-O 3.31Å | ||
| 84 | T | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 29 Ų | 29 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | trans | -97.3 | 165.7 | 164.5 | -165.1 | 0 | 0 | 0 | 0 | 111.4 | L21 Q72 M89 Q453 | L21-T84 HydrophobicContact CD1-CG2 4.13Å; L21-T84 HydrophobicContact CD2-CG2 4.34Å; Q72-T84 HydrophobicContact CG-CG2 3.95Å; T84-M89 WeakPolarHBondContact OG1-CG 3.36Å; T84-Q453 PolarHBondContact O-NE2 3.31Å | ||
| 85 | S | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -150 | 158.7 | 170.1 | 62 | 0 | 0 | 0 | 0 | 110.8 | S88 M89 M308 | S85-S88 WeakPolarHBondContact O-CB 3.48Å; S85-S88 PolarHBondContact O-N 3.21Å; S85-S88 WeakPolarHBondContact OG-CB 3.37Å; S85-S88 PolarHBondContact OG-N 3.05Å; S85-M89 PolarHBondContact O-N 2.87Å; S85-M308 WeakPolarHBondContact CB-O 3.24Å; S85-M308 PolarHBondContact OG-O 3.03Å | ||
| 86 | W | 98.8 | Very high | 98.8 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 39% | 0.386 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -48.3 | -53 | 175 | -39.9 | 119.5 | 0 | 0 | 0 | 113.5 | I17 L21 S88 M89 L90 | I17-W86 HydrophobicContact CG2-CZ3 4.42Å; L21-W86 HydrophobicContact CB-CH2 3.61Å; L21-W86 HydrophobicContact CB-CZ2 4.49Å; L21-W86 HydrophobicContact CB-CZ3 4.14Å; L21-W86 HydrophobicContact CD1-CE3 4.26Å; L21-W86 HydrophobicContact CD1-CH2 3.79Å; L21-W86 HydrophobicContact CD1-CZ3 3.51Å; L21-W86 HydrophobicContact CG-CH2 4.34Å; L21-W86 HydrophobicContact CG-CZ3 4.42Å; W86-S88 VanDerWaalsContact C-N 3.27Å; W86-S88 PolarHBondContact O-N 3.07Å; W86-M89 HydrophobicContact CD2-CE 4.34Å; W86-M89 HydrophobicContact CE3-CE 3.39Å; W86-M89 HydrophobicContact CZ3-CE 3.85Å; W86-M89 PolarHBondContact O-N 3.33Å; W86-L90 WeakPolarHBondContact O-CG 3.22Å; W86-L90 PolarHBondContact O-N 2.9Å; W86-L90 VanDerWaalsContact O-N 3.09Å |
| 87 | P | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 8% | 0.078 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -30.7 | 178.3 | 24.7 | -35.2 | 0 | 0 | 0 | 113.2 | G91 F364 V365 F369 | P87-G91 PolarHBondContact O-N 2.87Å; P87-F364 HydrophobicContact CB-CB 4.27Å; P87-F364 WeakPolarHBondContact O-CB 2.9Å; P87-V365 HydrophobicContact CB-CG2 4.46Å; P87-V365 HydrophobicContact CG-CG2 4.2Å; P87-F369 HydrophobicContact CG-CD2 4.1Å; P87-F369 HydrophobicContact CG-CE2 3.6Å; P87-F369 HydrophobicContact CG-CZ 4.34Å |
| 88 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -44.4 | 177.5 | -166.8 | 0 | 0 | 0 | 0 | 112 | S85 W86 G91 D92 V309 H310 K361 | S85-S88 WeakPolarHBondContact O-CB 3.48Å; S85-S88 PolarHBondContact O-N 3.21Å; S85-S88 WeakPolarHBondContact OG-CB 3.37Å; S85-S88 PolarHBondContact OG-N 3.05Å; W86-S88 VanDerWaalsContact C-N 3.27Å; W86-S88 PolarHBondContact O-N 3.07Å; S88-G91 PolarHBondContact O-N 3.29Å; S88-D92 PolarHBondContact O-N 3.13Å; S88-D92 VanDerWaalsContact O-N 3.17Å; S88-V309 WeakPolarHBondContact OG-CA 3.22Å; S88-H310 PolarHBondContact O-CE1 3.29Å; S88-H310 PolarHBondContact OG-N 3.13Å; S88-H310 PolarHBondContact OG-ND1 2.81Å; S88-K361 WeakPolarHBondContact O-CB 3.43Å |
| 89 | M | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 21% | 0.207 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 177.1 | -65.7 | -177.9 | -65.4 | 0 | 0 | 111.3 | I17 L21 T84 S85 W86 G91 D92 M93 | I17-M89 HydrophobicContact CG2-CE 3.89Å; I17-M89 HydrophobicContact CG2-SD 3.86Å; L21-M89 HydrophobicContact CD1-CE 3.73Å; L21-M89 HydrophobicContact CD1-SD 4.21Å; T84-M89 WeakPolarHBondContact OG1-CG 3.36Å; S85-M89 PolarHBondContact O-N 2.87Å; W86-M89 HydrophobicContact CD2-CE 4.34Å; W86-M89 HydrophobicContact CE3-CE 3.39Å; W86-M89 HydrophobicContact CZ3-CE 3.85Å; W86-M89 PolarHBondContact O-N 3.33Å; M89-G91 VanDerWaalsContact C-N 3.26Å; M89-G91 PolarHBondContact O-N 3.29Å; M89-D92 PolarHBondContact O-N 3.4Å; M89-M93 VanDerWaalsContact O-CG 3.27Å; M89-M93 WeakPolarHBondContact O-CG 3.32Å; M89-M93 PolarHBondContact O-N 2.96Å |
| 90 | L | 98.9 | Very high | 98.8 | Very high | 99 Ų | 99 | 44 Ų | 44 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.9 | -36.3 | 176.2 | -68.3 | 173.6 | 0 | 0 | 0 | 112.6 | W86 M93 L94 F364 | W86-L90 WeakPolarHBondContact O-CG 3.22Å; W86-L90 PolarHBondContact O-N 2.9Å; W86-L90 VanDerWaalsContact O-N 3.09Å; L90-M93 HydrophobicContact CD2-SD 4.13Å; L90-L94 PolarHBondContact O-N 3.14Å; L90-F364 HydrophobicContact CB-CD2 4.31Å; L90-F364 HydrophobicContact CB-CE2 4.42Å |
| 91 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P87 S88 M89 L94 A95 | P87-G91 PolarHBondContact O-N 2.87Å; S88-G91 PolarHBondContact O-N 3.29Å; M89-G91 VanDerWaalsContact C-N 3.26Å; M89-G91 PolarHBondContact O-N 3.29Å; G91-L94 PolarHBondContact O-N 2.72Å; G91-A95 PolarHBondContact O-N 3.35Å |
| 92 | D | 98.7 | Very high | 98.7 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.2 | -32.5 | 176.2 | -103.6 | 5.9 | 0 | 0 | 0 | 111.9 | S88 M89 L94 A95 D96 H310 R356 K361 | S88-D92 PolarHBondContact O-N 3.13Å; S88-D92 VanDerWaalsContact O-N 3.17Å; M89-D92 PolarHBondContact O-N 3.4Å; D92-L94 PolarHBondContact O-N 2.91Å; D92-A95 CarbonylContact O-C 3.59Å; D92-A95 PolarHBondContact O-N 3.39Å; D92-D96 VanDerWaalsContact O-CB 3.31Å; D92-D96 WeakPolarHBondContact O-CB 3.4Å; D92-D96 PolarHBondContact O-N 3.02Å; D92-H310 IonicContact OD2-CE1 3.98Å; D92-H310 PolarHBondContact OD2-CE1 3.26Å; D92-H310 IonicContact OD2-NE2 3.81Å; D92-H310 PolarHBondContact OD2-NE2 2.98Å; D92-R356 IonicContact OD1-CZ 3.61Å; D92-R356 IonicContact OD1-NH1 2.7Å; D92-R356 PolarHBondContact OD1-NH1 3.39Å; D92-R356 IonicContact OD1-NH2 3.91Å; D92-R356 IonicContact OD2-CZ 2.78Å; D92-R356 IonicContact OD2-NH1 3.78Å; D92-R356 PolarHBondContact OD2-NH1 3.41Å; D92-R356 IonicContact OD2-NH2 2.87Å; D92-R356 PolarHBondContact OD2-NH2 3.09Å; D92-K361 HydrophobicContact CB-CD 4.36Å; D92-K361 WeakPolarHBondContact OD1-CD 3.5Å; D92-K361 WeakPolarHBondContact OD2-CD 3.33Å; D92-K361 WeakPolarHBondContact OD2-CE 3.35Å; D92-K361 IonicContact OD2-NZ 3.67Å; D92-K361 PolarHBondContact OD2-NZ 3.41Å |
| 93 | M | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 46.9 Ų | 46.9 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -53.4 | -40.4 | 172.3 | -75.2 | 173.4 | 69.1 | 0 | 0 | 111.6 | V14 M89 L90 A97 | V14-M93 HydrophobicContact CG2-CE 4.45Å; M89-M93 VanDerWaalsContact O-CG 3.27Å; M89-M93 WeakPolarHBondContact O-CG 3.32Å; M89-M93 PolarHBondContact O-N 2.96Å; L90-M93 HydrophobicContact CD2-SD 4.13Å; M93-A97 WeakPolarHBondContact O-CB 3.5Å; M93-A97 PolarHBondContact O-N 3.39Å |
| 94 | L | 98.8 | Very high | 98.6 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 41% | 0.414 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.5 | -39.8 | 175.4 | -177.5 | 58.3 | 0 | 0 | 0 | 112.3 | L90 G91 D92 D96 A97 I98 L360 F364 | L90-L94 PolarHBondContact O-N 3.14Å; G91-L94 PolarHBondContact O-N 2.72Å; D92-L94 PolarHBondContact O-N 2.91Å; L94-D96 VanDerWaalsContact C-N 3.32Å; L94-D96 PolarHBondContact O-N 2.87Å; L94-A97 PolarHBondContact O-N 3.49Å; L94-I98 HydrophobicContact CD1-CD1 4.14Å; L94-I98 HydrophobicContact CD1-CG1 4.33Å; L94-I98 HydrophobicContact CG-CD1 4.05Å; L94-I98 WeakPolarHBondContact O-CG1 3.4Å; L94-I98 PolarHBondContact O-N 2.91Å; L94-L360 HydrophobicContact CB-CD2 3.92Å; L94-L360 HydrophobicContact CD2-CD2 3.92Å; L94-L360 HydrophobicContact CG-CD2 3.78Å; L94-F364 HydrophobicContact CD2-CZ 4.26Å |
| 95 | A | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G91 D92 I98 N99 F357 L360 | G91-A95 PolarHBondContact O-N 3.35Å; D92-A95 CarbonylContact O-C 3.59Å; D92-A95 PolarHBondContact O-N 3.39Å; A95-I98 PolarHBondContact O-N 2.66Å; A95-N99 PolarHBondContact O-N 3.37Å; A95-F357 HydrophobicContact CB-CB 4.24Å; A95-L360 HydrophobicContact CB-CB 4.48Å; A95-L360 HydrophobicContact CB-CD2 4.06Å |
| 96 | D | 98.8 | Very high | 98.6 | Very high | 102 Ų | 102 | 51.4 Ų | 51.4 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 179.5 | -65.3 | -15.5 | 0 | 0 | 0 | 111.5 | D92 L94 N99 | D92-D96 VanDerWaalsContact O-CB 3.31Å; D92-D96 WeakPolarHBondContact O-CB 3.4Å; D92-D96 PolarHBondContact O-N 3.02Å; L94-D96 VanDerWaalsContact C-N 3.32Å; L94-D96 PolarHBondContact O-N 2.87Å; D96-N99 WeakPolarHBondContact O-CB 3.37Å |
| 97 | A | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 48.5 Ų | 48.5 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.3 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M93 L94 | M93-A97 WeakPolarHBondContact O-CB 3.5Å; M93-A97 PolarHBondContact O-N 3.39Å; L94-A97 PolarHBondContact O-N 3.49Å |
| 98 | I | 98.8 | Very high | 98.5 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 45% | 0.451 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 174.5 | -67.8 | 168.7 | 0 | 0 | 0 | 110.4 | L94 A95 C100 | L94-I98 HydrophobicContact CD1-CD1 4.14Å; L94-I98 HydrophobicContact CD1-CG1 4.33Å; L94-I98 HydrophobicContact CG-CD1 4.05Å; L94-I98 WeakPolarHBondContact O-CG1 3.4Å; L94-I98 PolarHBondContact O-N 2.91Å; A95-I98 PolarHBondContact O-N 2.66Å; I98-C100 HydrophobicContact CG2-CB 3.91Å; I98-C100 PolarHBondContact O-N 3.5Å |
| 99 | N | 98.6 | Very high | 98.5 | Very high | 128 Ų | 128 | 51.4 Ų | 51.4 | 68% | 0.684 | 29% | 0.293 | S | S | * | . | trans | 46.3 | 36.2 | 178.8 | -162 | 25.9 | 0 | 0 | 0 | 114.4 | A95 D96 | A95-N99 PolarHBondContact O-N 3.37Å; D96-N99 WeakPolarHBondContact O-CB 3.37Å | ||
| 100 | C | 98.5 | Very high | 98.5 | Very high | 21 Ų | 21 | 52 Ų | 52 | 14% | 0.142 | 31% | 0.305 | C | S | . | . | trans | -76.1 | 150.4 | 176.2 | 69.4 | 0 | 0 | 0 | 0 | 110.6 | I98 S108 | I98-C100 HydrophobicContact CG2-CB 3.91Å; I98-C100 PolarHBondContact O-N 3.5Å; C100-S108 PolarHBondContact SG-OG 3.37Å | ||
| 101 | V | 98.5 | Very high | 98.5 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | trans | -111.8 | 116.3 | 174.2 | -169.4 | 0 | 0 | 0 | 0 | 107.7 | F103 S107 R355 | V101-F103 HydrophobicContact CB-CD1 4.39Å; V101-F103 HydrophobicContact CG1-CD1 3.81Å; V101-F103 HydrophobicContact CG1-CE1 4.47Å; V101-S107 VanDerWaalsContact O-CB 3.25Å; V101-S107 WeakPolarHBondContact O-CB 3.45Å; V101-S107 PolarHBondContact O-OG 3.48Å; V101-R355 WeakPolarHBondContact CA-O 2.96Å | ||
| 102 | G | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -105.4 | 52 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S107 R355 | G102-S107 WeakPolarHBondContact CA-OG 3.05Å; G102-R355 PolarHBondContact N-O 3.01Å; G102-R355 WeakPolarHBondContact O-CD 3.34Å; G102-R355 WeakPolarHBondContact O-CG 3.46Å; G102-R355 PolarHBondContact O-NH1 3.15Å | ||
| 103 | F | 97.1 | Very high | 98.5 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -69.8 | -39.9 | -179.9 | 54.8 | -100.4 | 0 | 0 | 0 | 112.2 | V101 S107 L335 M347 L353 | V101-F103 HydrophobicContact CB-CD1 4.39Å; V101-F103 HydrophobicContact CG1-CD1 3.81Å; V101-F103 HydrophobicContact CG1-CE1 4.47Å; F103-S107 PolarHBondContact N-OG 3.47Å; F103-S107 VanDerWaalsContact N-OG 3.07Å; F103-L335 HydrophobicContact CD2-CD2 4.09Å; F103-L335 HydrophobicContact CE2-CD2 3.66Å; F103-L335 HydrophobicContact CZ-CD2 4.24Å; F103-M347 HydrophobicContact CB-CB 4.3Å; F103-M347 HydrophobicContact CD2-SD 4.47Å; F103-M347 VanDerWaalsContact O-CB 3.3Å; F103-M347 WeakPolarHBondContact O-CB 3.23Å; F103-M347 WeakPolarHBondContact O-CG 3.14Å; F103-M347 PolarHBondContact O-N 3Å; F103-L353 HydrophobicContact CB-CD1 3.88Å; F103-L353 HydrophobicContact CB-CG 4.13Å; F103-L353 WeakPolarHBondContact CB-O 3.46Å; F103-L353 HydrophobicContact CD2-CD1 4.26Å; F103-L353 HydrophobicContact CG-CD1 4.14Å; F103-L353 HydrophobicContact CG-CG 4.35Å |
| 104 | S | 98 | Very high | 98.5 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -117.5 | 161 | 169.9 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | A106 S107 D345 | S104-A106 PolarHBondContact O-N 3.36Å; S104-S107 PolarHBondContact N-OG 2.97Å; S104-S107 VanDerWaalsContact N-OG 3.12Å; S104-S107 PolarHBondContact O-N 3.05Å; S104-S107 VanDerWaalsContact O-N 3.15Å; S104-S107 PolarHBondContact O-OG 3.34Å; S104-S107 PolarHBondContact OG-N 2.92Å; S104-D345 WeakPolarHBondContact CA-OD1 3.41Å; S104-D345 VanDerWaalsContact CB-OD1 3.25Å; S104-D345 WeakPolarHBondContact CB-OD1 3.49Å |
| 105 | W | 98.5 | Very high | 98.5 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -42.8 | 172.4 | 178.5 | 94.7 | 0 | 0 | 0 | 111.3 | S107 S108 P109 E113 N339 A343 D345 | W105-S107 VanDerWaalsContact C-N 3.29Å; W105-S107 PolarHBondContact O-N 3.1Å; W105-S108 CarbonylContact O-C 3.26Å; W105-S108 VanDerWaalsContact O-C 3.26Å; W105-S108 PolarHBondContact O-N 3.36Å; W105-P109 HydrophobicContact CD2-CB 4.29Å; W105-P109 HydrophobicContact CD2-CG 4.23Å; W105-P109 HydrophobicContact CE3-CG 4.33Å; W105-P109 HydrophobicContact CH2-CB 4.49Å; W105-P109 HydrophobicContact CH2-CG 4.11Å; W105-P109 HydrophobicContact CZ2-CB 3.92Å; W105-P109 HydrophobicContact CZ2-CG 4.04Å; W105-P109 HydrophobicContact CZ3-CG 4.25Å; W105-P109 VanDerWaalsContact O-CA 3.27Å; W105-P109 WeakPolarHBondContact O-CA 3.42Å; W105-P109 WeakPolarHBondContact O-CD 3.38Å; W105-P109 WeakPolarHBondContact O-CG 3.16Å; W105-E113 PolarHBondContact NE1-OE1 3.34Å; W105-N339 HydrophobicContact CE3-CB 4.34Å; W105-N339 HydrophobicContact CZ3-CB 4.45Å; W105-N339 VanDerWaalsContact CZ3-ND2 3.27Å; W105-N339 WeakPolarHBondContact CZ3-ND2 3.39Å; W105-A343 HydrophobicContact CB-CB 3.58Å; W105-A343 HydrophobicContact CD2-CB 4Å; W105-A343 HydrophobicContact CE3-CB 4.49Å; W105-A343 HydrophobicContact CG-CB 3.59Å; W105-D345 PolarHBondContact N-OD1 3.22Å |
| 106 | A | 98.3 | Very high | 98.5 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S104 S108 H337 | S104-A106 PolarHBondContact O-N 3.36Å; A106-S108 VanDerWaalsContact C-N 3.33Å; A106-S108 PolarHBondContact O-N 2.89Å; A106-H337 HydrophobicContact CB-CB 3.62Å; A106-H337 VanDerWaalsContact CB-CG 3.44Å |
| 107 | S | 98.2 | Very high | 98.6 | Very high | 41 Ų | 41 | 43 Ų | 43 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -31.6 | 179.7 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | V101 G102 F103 S104 W105 | V101-S107 VanDerWaalsContact O-CB 3.25Å; V101-S107 WeakPolarHBondContact O-CB 3.45Å; V101-S107 PolarHBondContact O-OG 3.48Å; G102-S107 WeakPolarHBondContact CA-OG 3.05Å; F103-S107 PolarHBondContact N-OG 3.47Å; F103-S107 VanDerWaalsContact N-OG 3.07Å; S104-S107 PolarHBondContact N-OG 2.97Å; S104-S107 VanDerWaalsContact N-OG 3.12Å; S104-S107 PolarHBondContact O-N 3.05Å; S104-S107 VanDerWaalsContact O-N 3.15Å; S104-S107 PolarHBondContact O-OG 3.34Å; S104-S107 PolarHBondContact OG-N 2.92Å; W105-S107 VanDerWaalsContact C-N 3.29Å; W105-S107 PolarHBondContact O-N 3.1Å |
| 108 | S | 98.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -167.2 | 96.3 | 167.7 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | C100 W105 A106 A110 C111 | C100-S108 PolarHBondContact SG-OG 3.37Å; W105-S108 CarbonylContact O-C 3.26Å; W105-S108 VanDerWaalsContact O-C 3.26Å; W105-S108 PolarHBondContact O-N 3.36Å; A106-S108 VanDerWaalsContact C-N 3.33Å; A106-S108 PolarHBondContact O-N 2.89Å; S108-A110 VanDerWaalsContact C-N 3.31Å; S108-A110 PolarHBondContact O-N 2.88Å; S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 3.43Å; S108-C111 PolarHBondContact O-N 2.8Å | ||
| 109 | P | 98.8 | Very high | 98.6 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 34% | 0.338 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.5 | -43.1 | -174.6 | -30.5 | 36 | 0 | 0 | 0 | 113.1 | W105 C111 T112 E113 | W105-P109 HydrophobicContact CD2-CB 4.29Å; W105-P109 HydrophobicContact CD2-CG 4.23Å; W105-P109 HydrophobicContact CE3-CG 4.33Å; W105-P109 HydrophobicContact CH2-CB 4.49Å; W105-P109 HydrophobicContact CH2-CG 4.11Å; W105-P109 HydrophobicContact CZ2-CB 3.92Å; W105-P109 HydrophobicContact CZ2-CG 4.04Å; W105-P109 HydrophobicContact CZ3-CG 4.25Å; W105-P109 VanDerWaalsContact O-CA 3.27Å; W105-P109 WeakPolarHBondContact O-CA 3.42Å; W105-P109 WeakPolarHBondContact O-CD 3.38Å; W105-P109 WeakPolarHBondContact O-CG 3.16Å; P109-C111 PolarHBondContact O-N 3.47Å; P109-T112 PolarHBondContact O-N 3.23Å; P109-T112 VanDerWaalsContact O-N 3.13Å; P109-E113 WeakPolarHBondContact O-CB 3.37Å; P109-E113 WeakPolarHBondContact O-CG 3.49Å; P109-E113 PolarHBondContact O-N 3.37Å |
| 110 | A | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 46% | 0.463 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.6 | -32.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | S108 T112 L114 F357 | S108-A110 VanDerWaalsContact C-N 3.31Å; S108-A110 PolarHBondContact O-N 2.88Å; A110-T112 VanDerWaalsContact C-N 3.33Å; A110-T112 PolarHBondContact O-N 3.09Å; A110-L114 WeakPolarHBondContact O-CB 3.42Å; A110-L114 PolarHBondContact O-N 3.49Å; A110-L114 VanDerWaalsContact O-N 3.11Å; A110-F357 HydrophobicContact CB-CE2 4.38Å; A110-F357 HydrophobicContact CB-CZ 4.16Å; A110-F357 WeakPolarHBondContact O-CE1 3.49Å; A110-F357 WeakPolarHBondContact O-CZ 3.34Å |
| 111 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | S108 P109 R355 F357 | S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 3.43Å; S108-C111 PolarHBondContact O-N 2.8Å; P109-C111 PolarHBondContact O-N 3.47Å; C111-R355 PolarHBondContact SG-NH1 3.38Å; C111-R355 VanDerWaalsContact SG-NH1 3.4Å; C111-F357 HydrophobicContact CB-CD1 4.21Å; C111-F357 HydrophobicContact CB-CE1 4.48Å; C111-F357 HydrophobicContact CB-CG 4.3Å |
| 112 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79 | -51.8 | 178.6 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | P109 A110 L114 E115 M116 T344 F346 | P109-T112 PolarHBondContact O-N 3.23Å; P109-T112 VanDerWaalsContact O-N 3.13Å; A110-T112 VanDerWaalsContact C-N 3.33Å; A110-T112 PolarHBondContact O-N 3.09Å; T112-L114 PolarHBondContact O-N 3.4Å; T112-E115 WeakPolarHBondContact O-CB 3.47Å; T112-E115 PolarHBondContact O-N 2.88Å; T112-E115 VanDerWaalsContact O-N 3.16Å; T112-M116 HydrophobicContact CG2-CG 4.47Å; T112-M116 HydrophobicContact CG2-SD 3.88Å; T112-M116 WeakPolarHBondContact O-CG 3.44Å; T112-M116 PolarHBondContact O-N 3.28Å; T112-T344 VanDerWaalsContact CG2-O 3.31Å; T112-T344 WeakPolarHBondContact CG2-O 3.15Å; T112-F346 HydrophobicContact CG2-CD2 3.95Å; T112-F346 HydrophobicContact CG2-CE2 3.76Å |
| 113 | E | 98.9 | Very high | 98.7 | Very high | 76 Ų | 76 | 31 Ų | 31 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.6 | -44.8 | -172.8 | -66.2 | -75.5 | -179.3 | 0 | 0 | 112.1 | W105 P109 E115 M116 N117 | W105-E113 PolarHBondContact NE1-OE1 3.34Å; P109-E113 WeakPolarHBondContact O-CB 3.37Å; P109-E113 WeakPolarHBondContact O-CG 3.49Å; P109-E113 PolarHBondContact O-N 3.37Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.42Å; E113-M116 PolarHBondContact O-N 3.32Å; E113-N117 PolarHBondContact O-N 3.43Å; E113-N117 VanDerWaalsContact O-N 3.13Å; E113-N117 PolarHBondContact O-ND2 2.92Å |
| 114 | L | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 35.2 Ų | 35.2 | 18% | 0.183 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 177.1 | -177.6 | 63.9 | 0 | 0 | 0 | 110.7 | A110 T112 N117 V118 F357 L360 W363 | A110-L114 WeakPolarHBondContact O-CB 3.42Å; A110-L114 PolarHBondContact O-N 3.49Å; A110-L114 VanDerWaalsContact O-N 3.11Å; T112-L114 PolarHBondContact O-N 3.4Å; L114-N117 PolarHBondContact O-N 3.13Å; L114-V118 HydrophobicContact CD1-CG2 3.78Å; L114-V118 HydrophobicContact CG-CG2 4.09Å; L114-V118 VanDerWaalsContact O-CB 3.3Å; L114-V118 WeakPolarHBondContact O-CB 3.13Å; L114-V118 WeakPolarHBondContact O-CG2 3.34Å; L114-V118 PolarHBondContact O-N 3.41Å; L114-F357 HydrophobicContact CB-CE1 3.99Å; L114-F357 HydrophobicContact CB-CZ 4.31Å; L114-F357 HydrophobicContact CD2-CE1 3.62Å; L114-F357 HydrophobicContact CD2-CZ 3.86Å; L114-F357 HydrophobicContact CG-CE1 4.35Å; L114-L360 HydrophobicContact CD2-CD1 4.01Å; L114-W363 HydrophobicContact CD1-CB 4.44Å; L114-W363 HydrophobicContact CD1-CD2 4.11Å; L114-W363 HydrophobicContact CD1-CG 3.96Å; L114-W363 HydrophobicContact CD2-CB 4.3Å; L114-W363 HydrophobicContact CD2-CD2 4.48Å; L114-W363 HydrophobicContact CD2-CE3 4.5Å; L114-W363 HydrophobicContact CD2-CG 4.44Å |
| 115 | E | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 178.4 | -172.4 | 158.8 | 130.1 | 0 | 0 | 112.2 | T112 E113 N117 V118 M119 L145 F346 R355 S359 | T112-E115 WeakPolarHBondContact O-CB 3.47Å; T112-E115 PolarHBondContact O-N 2.88Å; T112-E115 VanDerWaalsContact O-N 3.16Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.42Å; E115-N117 VanDerWaalsContact C-N 3.31Å; E115-N117 PolarHBondContact O-N 3.01Å; E115-V118 PolarHBondContact O-N 3.49Å; E115-M119 HydrophobicContact CG-CG 3.98Å; E115-M119 VanDerWaalsContact O-CB 3.23Å; E115-M119 WeakPolarHBondContact O-CB 3.46Å; E115-M119 WeakPolarHBondContact O-CG 3.18Å; E115-M119 PolarHBondContact O-N 3.47Å; E115-L145 HydrophobicContact CG-CD1 4.15Å; E115-L145 HydrophobicContact CG-CG 4.03Å; E115-L145 PolarHBondContact OE1-N 3.1Å; E115-F346 HydrophobicContact CB-CE2 4.09Å; E115-F346 HydrophobicContact CG-CE2 4.21Å; E115-F346 HydrophobicContact CG-CZ 4.42Å; E115-R355 IonicContact OE1-CZ 3.53Å; E115-R355 IonicContact OE1-NH2 2.75Å; E115-R355 PolarHBondContact OE1-NH2 3.4Å; E115-R355 IonicContact OE2-CZ 3.51Å; E115-R355 IonicContact OE2-NH2 3.5Å; E115-R355 PolarHBondContact OE2-NH2 3.17Å; E115-S359 PolarHBondContact N-OG 3.19Å |
| 116 | M | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.6 | -47.6 | 177 | -69.4 | 173.6 | 59 | 0 | 0 | 111.5 | T112 E113 D120 H134 T344 F346 | T112-M116 HydrophobicContact CG2-CG 4.47Å; T112-M116 HydrophobicContact CG2-SD 3.88Å; T112-M116 WeakPolarHBondContact O-CG 3.44Å; T112-M116 PolarHBondContact O-N 3.28Å; E113-M116 PolarHBondContact O-N 3.32Å; M116-D120 PolarHBondContact O-N 3.09Å; M116-D120 VanDerWaalsContact O-N 3.08Å; M116-H134 HydrophobicContact CB-CB 4.41Å; M116-H134 HydrophobicContact CE-CB 3.95Å; M116-H134 PolarHBondContact O-CD2 3.33Å; M116-T344 HydrophobicContact SD-CG2 4.29Å; M116-F346 HydrophobicContact CG-CE2 4.07Å; M116-F346 HydrophobicContact CG-CZ 3.65Å |
| 117 | N | 98.9 | Very high | 98.8 | Very high | 67 Ų | 67 | 31.8 Ų | 31.8 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.6 | -41.4 | -178.7 | -78.5 | -86 | 0 | 0 | 0 | 112.8 | E113 L114 E115 D120 W121 | E113-N117 PolarHBondContact O-N 3.43Å; E113-N117 VanDerWaalsContact O-N 3.13Å; E113-N117 PolarHBondContact O-ND2 2.92Å; L114-N117 PolarHBondContact O-N 3.13Å; E115-N117 VanDerWaalsContact C-N 3.31Å; E115-N117 PolarHBondContact O-N 3.01Å; N117-D120 PolarHBondContact O-N 3.48Å; N117-W121 PolarHBondContact O-N 2.92Å |
| 118 | V | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.3 | -33.9 | 179.9 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L114 E115 D120 W121 L122 L362 W363 M366 | L114-V118 HydrophobicContact CD1-CG2 3.78Å; L114-V118 HydrophobicContact CG-CG2 4.09Å; L114-V118 VanDerWaalsContact O-CB 3.3Å; L114-V118 WeakPolarHBondContact O-CB 3.13Å; L114-V118 WeakPolarHBondContact O-CG2 3.34Å; L114-V118 PolarHBondContact O-N 3.41Å; E115-V118 PolarHBondContact O-N 3.49Å; V118-D120 VanDerWaalsContact C-N 3.31Å; V118-W121 WeakPolarHBondContact O-CB 3.35Å; V118-W121 PolarHBondContact O-N 3.3Å; V118-L122 WeakPolarHBondContact O-CB 3.41Å; V118-L122 PolarHBondContact O-N 3.01Å; V118-L362 HydrophobicContact CG1-CB 4.38Å; V118-L362 HydrophobicContact CG1-CD2 3.58Å; V118-L362 HydrophobicContact CG1-CG 3.65Å; V118-W363 HydrophobicContact CG2-CB 3.95Å; V118-W363 HydrophobicContact CG2-CG 4.05Å; V118-M366 HydrophobicContact CG1-SD 4.05Å |
| 119 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -34.9 | 172.2 | -72 | -60.9 | -71.1 | 0 | 0 | 111.6 | E115 L122 C123 L144 L145 A315 W317 | E115-M119 HydrophobicContact CG-CG 3.98Å; E115-M119 VanDerWaalsContact O-CB 3.23Å; E115-M119 WeakPolarHBondContact O-CB 3.46Å; E115-M119 WeakPolarHBondContact O-CG 3.18Å; E115-M119 PolarHBondContact O-N 3.47Å; M119-L122 PolarHBondContact O-N 3.18Å; M119-L122 HydrophobicContact SD-CD2 4.48Å; M119-C123 VanDerWaalsContact O-CB 3.28Å; M119-C123 WeakPolarHBondContact O-CB 3.33Å; M119-C123 PolarHBondContact O-N 2.91Å; M119-L144 WeakPolarHBondContact CE-O 3.19Å; M119-L145 HydrophobicContact SD-CD2 3.6Å; M119-L145 HydrophobicContact SD-CG 4.02Å; M119-A315 HydrophobicContact CE-CB 3.8Å; M119-A315 HydrophobicContact SD-CB 4.09Å; M119-W317 HydrophobicContact CE-CD2 3.84Å; M119-W317 VanDerWaalsContact CE-CE2 3.41Å; M119-W317 HydrophobicContact CE-CE3 4.16Å; M119-W317 HydrophobicContact CE-CH2 3.79Å; M119-W317 HydrophobicContact CE-CZ2 3.4Å; M119-W317 HydrophobicContact CE-CZ3 4.14Å; M119-W317 WeakPolarHBondContact O-CZ2 3.31Å; M119-W317 HydrophobicContact SD-CZ2 4.14Å |
| 120 | D | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 171 | -81.8 | 14.8 | 0 | 0 | 0 | 112.5 | M116 N117 V118 L122 K124 L133 H134 H135 | M116-D120 PolarHBondContact O-N 3.09Å; M116-D120 VanDerWaalsContact O-N 3.08Å; N117-D120 PolarHBondContact O-N 3.48Å; V118-D120 VanDerWaalsContact C-N 3.31Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 3.36Å; D120-K124 WeakPolarHBondContact O-CG 3.33Å; D120-K124 PolarHBondContact O-N 2.75Å; D120-K124 VanDerWaalsContact O-N 3.09Å; D120-L133 HydrophobicContact CB-CD2 3.79Å; D120-L133 WeakPolarHBondContact O-CD2 3.26Å; D120-L133 WeakPolarHBondContact OD1-CA 3.49Å; D120-H134 IonicContact OD1-CD2 3.09Å; D120-H134 IonicContact OD1-CG 3.33Å; D120-H134 PolarHBondContact OD1-N 2.92Å; D120-H134 PolarHBondContact OD2-N 3.03Å; D120-H135 IonicContact OD2-CE1 3.4Å; D120-H135 IonicContact OD2-CG 2.97Å; D120-H135 PolarHBondContact OD2-N 2.81Å; D120-H135 IonicContact OD2-ND1 2.77Å; D120-H135 PolarHBondContact OD2-ND1 3.33Å |
| 121 | W | 98.9 | Very high | 98.8 | Very high | 115 Ų | 115 | 30.8 Ų | 30.8 | 44% | 0.436 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 173.2 | -70.3 | 9.4 | 0 | 0 | 0 | 111.1 | N117 V118 K124 A125 W363 M366 R367 | N117-W121 PolarHBondContact O-N 2.92Å; V118-W121 WeakPolarHBondContact O-CB 3.35Å; V118-W121 PolarHBondContact O-N 3.3Å; W121-K124 PolarHBondContact O-N 2.98Å; W121-A125 WeakPolarHBondContact O-CB 3.27Å; W121-A125 PolarHBondContact O-N 3.16Å; W121-W363 AromaticContact CH2-NE1 3.71Å; W121-W363 AromaticContact CZ3-CD1 3.69Å; W121-W363 AromaticContact CZ3-NE1 3.72Å; W121-M366 HydrophobicContact CB-CE 3.97Å; W121-R367 HydrophobicContact CZ3-CG 4.21Å |
| 122 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.6 | -42.1 | -178.3 | -168.3 | 60 | 0 | 0 | 0 | 111.4 | V118 M119 D120 K124 A125 L126 F282 F301 P303 M307 A315 W317 L362 M366 | V118-L122 WeakPolarHBondContact O-CB 3.41Å; V118-L122 PolarHBondContact O-N 3.01Å; M119-L122 PolarHBondContact O-N 3.18Å; M119-L122 HydrophobicContact SD-CD2 4.48Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 3.36Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.14Å; L122-A125 PolarHBondContact O-N 3.02Å; L122-L126 HydrophobicContact CG-CD1 4.16Å; L122-L126 WeakPolarHBondContact O-CB 3.32Å; L122-L126 WeakPolarHBondContact O-CG 3.43Å; L122-L126 PolarHBondContact O-N 3.1Å; L122-F282 HydrophobicContact CD1-CE1 3.71Å; L122-F282 HydrophobicContact CD1-CZ 3.92Å; L122-F301 HydrophobicContact CD1-CZ 4.08Å; L122-F301 HydrophobicContact CD2-CE1 3.76Å; L122-F301 HydrophobicContact CD2-CZ 3.86Å; L122-F301 HydrophobicContact CG-CE1 4.11Å; L122-F301 HydrophobicContact CG-CZ 4.14Å; L122-P303 HydrophobicContact CD2-CG 4.15Å; L122-M307 HydrophobicContact CD1-CE 3.68Å; L122-M307 HydrophobicContact CD1-SD 3.91Å; L122-A315 HydrophobicContact CD2-CB 3.76Å; L122-W317 HydrophobicContact CB-CH2 4.19Å; L122-W317 HydrophobicContact CB-CZ2 3.98Å; L122-W317 HydrophobicContact CD2-CH2 3.67Å; L122-W317 HydrophobicContact CD2-CZ2 4.19Å; L122-W317 HydrophobicContact CG-CH2 3.76Å; L122-W317 HydrophobicContact CG-CZ2 4.09Å; L122-L362 HydrophobicContact CD2-CD2 4.14Å; L122-M366 HydrophobicContact CD1-CE 4.26Å; L122-M366 HydrophobicContact CD1-SD 4.32Å |
| 123 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.6 | -49 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | M119 L126 G127 L128 L133 W317 | M119-C123 VanDerWaalsContact O-CB 3.28Å; M119-C123 WeakPolarHBondContact O-CB 3.33Å; M119-C123 PolarHBondContact O-N 2.91Å; C123-L126 PolarHBondContact O-N 2.96Å; C123-G127 PolarHBondContact O-N 3.22Å; C123-G127 VanDerWaalsContact O-N 3.17Å; C123-L128 PolarHBondContact O-N 2.86Å; C123-L133 HydrophobicContact CB-CD2 3.6Å; C123-W317 HydrophobicContact CB-CZ2 4.2Å |
| 124 | K | 98.9 | Very high | 98.8 | Very high | 136 Ų | 136 | 29 Ų | 29 | 59% | 0.591 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -64.3 | -42.7 | 176.5 | -69.8 | 169.3 | -176.6 | 173.7 | 0 | 112.3 | D120 W121 L122 L126 G127 L133 | D120-K124 WeakPolarHBondContact O-CG 3.33Å; D120-K124 PolarHBondContact O-N 2.75Å; D120-K124 VanDerWaalsContact O-N 3.09Å; W121-K124 PolarHBondContact O-N 2.98Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3.14Å; K124-L126 VanDerWaalsContact C-N 3.27Å; K124-L126 PolarHBondContact O-N 2.93Å; K124-G127 PolarHBondContact O-N 3.01Å; K124-G127 VanDerWaalsContact O-N 3.12Å; K124-L133 HydrophobicContact CG-CD2 4.11Å |
| 125 | A | 98.8 | Very high | 98.8 | Very high | 9 Ų | 9 | 32 Ų | 32 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -33.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W121 L122 F282 R287 L371 | W121-A125 WeakPolarHBondContact O-CB 3.27Å; W121-A125 PolarHBondContact O-N 3.16Å; L122-A125 PolarHBondContact O-N 3.02Å; A125-F282 HydrophobicContact CB-CD1 4Å; A125-F282 HydrophobicContact CB-CE1 4.16Å; A125-R287 PolarHBondContact O-NH2 3.01Å; A125-L371 HydrophobicContact CB-CD1 4.01Å; A125-L371 HydrophobicContact CB-CD2 4.47Å |
| 126 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.7 | -18.2 | 176 | -65.7 | 168.8 | 0 | 0 | 0 | 113.1 | L122 C123 K124 L128 G278 F282 R287 F299 F301 W317 | L122-L126 HydrophobicContact CG-CD1 4.16Å; L122-L126 WeakPolarHBondContact O-CB 3.32Å; L122-L126 WeakPolarHBondContact O-CG 3.43Å; L122-L126 PolarHBondContact O-N 3.1Å; C123-L126 PolarHBondContact O-N 2.96Å; K124-L126 VanDerWaalsContact C-N 3.27Å; K124-L126 PolarHBondContact O-N 2.93Å; L126-L128 HydrophobicContact CB-CD1 4.28Å; L126-L128 HydrophobicContact CB-CG 3.85Å; L126-L128 HydrophobicContact CD1-CD1 3.86Å; L126-L128 HydrophobicContact CD1-CG 4.34Å; L126-G278 WeakPolarHBondContact CD2-O 3.27Å; L126-F282 HydrophobicContact CD2-CD1 3.98Å; L126-F282 HydrophobicContact CD2-CE1 3.55Å; L126-F282 HydrophobicContact CD2-CZ 4.18Å; L126-F282 HydrophobicContact CG-CE1 4.05Å; L126-R287 PolarHBondContact O-NE 3.14Å; L126-F299 HydrophobicContact CD1-CE1 4.28Å; L126-F301 HydrophobicContact CD1-CD1 3.98Å; L126-F301 HydrophobicContact CD1-CE1 3.52Å; L126-F301 HydrophobicContact CD1-CZ 4.05Å; L126-F301 HydrophobicContact CD2-CE1 4.39Å; L126-F301 HydrophobicContact CD2-CE2 4.47Å; L126-F301 HydrophobicContact CD2-CZ 4.17Å; L126-F301 HydrophobicContact CG-CE1 4.5Å; L126-W317 HydrophobicContact CD1-CH2 3.73Å; L126-W317 HydrophobicContact CD1-CZ3 4.08Å |
| 127 | G | 98.6 | Very high | 98.7 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 32% | 0.32 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 31.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C123 K124 | C123-G127 PolarHBondContact O-N 3.22Å; C123-G127 VanDerWaalsContact O-N 3.17Å; K124-G127 PolarHBondContact O-N 3.01Å; K124-G127 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | trans | -77 | 154.1 | 175.5 | -66.3 | 179.3 | 0 | 0 | 0 | 111.2 | C123 L126 F132 I293 F299 W317 | C123-L128 PolarHBondContact O-N 2.86Å; L126-L128 HydrophobicContact CB-CD1 4.28Å; L126-L128 HydrophobicContact CB-CG 3.85Å; L126-L128 HydrophobicContact CD1-CD1 3.86Å; L126-L128 HydrophobicContact CD1-CG 4.34Å; L128-F132 HydrophobicContact CB-CD2 4.14Å; L128-I293 HydrophobicContact CD2-CD1 4.3Å; L128-I293 HydrophobicContact CD2-CG1 3.95Å; L128-F299 HydrophobicContact CD1-CD1 3.65Å; L128-F299 HydrophobicContact CD1-CE1 3.95Å; L128-F299 HydrophobicContact CD1-CG 4.15Å; L128-F299 HydrophobicContact CD2-CD1 4.23Å; L128-F299 HydrophobicContact CD2-CD2 4.06Å; L128-F299 HydrophobicContact CD2-CE1 4.3Å; L128-F299 HydrophobicContact CD2-CE2 4.12Å; L128-F299 HydrophobicContact CD2-CG 4.12Å; L128-F299 HydrophobicContact CD2-CZ 4.24Å; L128-W317 HydrophobicContact CD1-CD2 4.21Å; L128-W317 HydrophobicContact CD1-CE3 4.13Å; L128-W317 HydrophobicContact CD1-CZ3 4.32Å | ||
| 129 | P | 98.6 | Very high | 98.6 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.071 | 22% | 0.22 | C | C | . | . | trans | -55.7 | 149.1 | 179.6 | -28.3 | 35 | 0 | 0 | 0 | 114.3 | F131 F132 I293 D294 | P129-F131 HydrophobicContact CB-CD1 3.64Å; P129-F131 HydrophobicContact CB-CD2 4.15Å; P129-F131 HydrophobicContact CB-CE1 3.25Å; P129-F131 HydrophobicContact CB-CE2 3.81Å; P129-F131 HydrophobicContact CB-CG 4.09Å; P129-F131 HydrophobicContact CB-CZ 3.35Å; P129-F131 HydrophobicContact CG-CE1 3.87Å; P129-F131 HydrophobicContact CG-CE2 4.2Å; P129-F131 HydrophobicContact CG-CZ 3.59Å; P129-F131 PolarHBondContact O-N 3.04Å; P129-F131 VanDerWaalsContact O-N 3.14Å; P129-F132 HydrophobicContact CB-CD2 4.37Å; P129-F132 HydrophobicContact CG-CD2 4.41Å; P129-F132 HydrophobicContact CG-CE2 4.38Å; P129-F132 PolarHBondContact O-N 2.82Å; P129-F132 VanDerWaalsContact O-N 3.12Å; P129-I293 HydrophobicContact CG-CG1 4.27Å; P129-I293 HydrophobicContact CG-CG2 3.87Å; P129-D294 WeakPolarHBondContact CG-OD1 3.32Å | ||
| 130 | F | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 48 Ų | 48 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -61.2 | -26.3 | -176.6 | 69.8 | -98.6 | 0 | 0 | 0 | 113.6 | F132 L133 H136 D138 | F130-F132 PolarHBondContact O-N 2.83Å; F130-F132 VanDerWaalsContact O-N 3.14Å; F130-L133 HydrophobicContact CB-CD1 4.31Å; F130-L133 VanDerWaalsContact O-CB 3.28Å; F130-L133 WeakPolarHBondContact O-CB 3.36Å; F130-L133 WeakPolarHBondContact O-CG 3.47Å; F130-L133 PolarHBondContact O-N 2.88Å; F130-H136 AromaticContact CD2-CE1 3.37Å; F130-H136 WeakPolarHBondContact CD2-CE1 3.39Å; F130-H136 AromaticContact CD2-CG 3.75Å; F130-H136 AromaticContact CD2-ND1 3.32Å; F130-H136 VanDerWaalsContact CD2-ND1 3.32Å; F130-H136 WeakPolarHBondContact CD2-ND1 3.28Å; F130-H136 AromaticContact CD2-NE2 3.8Å; F130-H136 AromaticContact CE2-CE1 3.83Å; F130-H136 AromaticContact CE2-ND1 3.91Å; F130-H136 AromaticContact CG-CE1 3.93Å; F130-H136 AromaticContact CG-NE2 3.91Å; F130-D138 HydrophobicContact CE2-CB 3.97Å |
| 131 | F | 98.4 | Very high | 98.6 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -70.2 | -4.1 | 179.9 | 58.2 | -115.3 | 0 | 0 | 0 | 113.4 | P129 S139 G141 D294 K319 | P129-F131 HydrophobicContact CB-CD1 3.64Å; P129-F131 HydrophobicContact CB-CD2 4.15Å; P129-F131 HydrophobicContact CB-CE1 3.25Å; P129-F131 HydrophobicContact CB-CE2 3.81Å; P129-F131 HydrophobicContact CB-CG 4.09Å; P129-F131 HydrophobicContact CB-CZ 3.35Å; P129-F131 HydrophobicContact CG-CE1 3.87Å; P129-F131 HydrophobicContact CG-CE2 4.2Å; P129-F131 HydrophobicContact CG-CZ 3.59Å; P129-F131 PolarHBondContact O-N 3.04Å; P129-F131 VanDerWaalsContact O-N 3.14Å; F131-S139 PolarHBondContact O-OG 2.79Å; F131-G141 WeakPolarHBondContact O-CA 3.27Å; F131-D294 VanDerWaalsContact CZ-O 3.3Å; F131-D294 WeakPolarHBondContact CZ-O 3.4Å; F131-K319 HydrophobicContact CB-CG 4.49Å; F131-K319 HydrophobicContact CD2-CB 3.91Å; F131-K319 HydrophobicContact CD2-CD 3.83Å; F131-K319 HydrophobicContact CD2-CG 3.53Å; F131-K319 HydrophobicContact CE2-CB 4.07Å; F131-K319 HydrophobicContact CE2-CD 3.7Å; F131-K319 HydrophobicContact CE2-CG 3.86Å; F131-K319 HydrophobicContact CG-CD 4.31Å; F131-K319 HydrophobicContact CG-CG 4.08Å; F131-K319 HydrophobicContact CZ-CD 4.06Å |
| 132 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -92.5 | -6.5 | 168.9 | -71.2 | -50.3 | 0 | 0 | 0 | 113.2 | L128 P129 F130 G142 A296 F299 W317 V318 K319 | L128-F132 HydrophobicContact CB-CD2 4.14Å; P129-F132 HydrophobicContact CB-CD2 4.37Å; P129-F132 HydrophobicContact CG-CD2 4.41Å; P129-F132 HydrophobicContact CG-CE2 4.38Å; P129-F132 PolarHBondContact O-N 2.82Å; P129-F132 VanDerWaalsContact O-N 3.12Å; F130-F132 PolarHBondContact O-N 2.83Å; F130-F132 VanDerWaalsContact O-N 3.14Å; F132-G142 CarbonylContact O-C 3.37Å; F132-G142 VanDerWaalsContact O-CA 3.27Å; F132-G142 WeakPolarHBondContact O-CA 3.46Å; F132-A296 HydrophobicContact CZ-CB 4.32Å; F132-F299 HydrophobicContact CE2-CB 4.42Å; F132-F299 HydrophobicContact CZ-CB 4.32Å; F132-W317 HydrophobicContact CB-CB 4.08Å; F132-W317 HydrophobicContact CB-CG 4.12Å; F132-W317 HydrophobicContact CD1-CB 3.58Å; F132-W317 HydrophobicContact CD1-CG 4.49Å; F132-W317 HydrophobicContact CE1-CB 4.08Å; F132-W317 HydrophobicContact CG-CB 3.87Å; F132-W317 HydrophobicContact CG-CG 4.39Å; F132-W317 VanDerWaalsContact O-CD1 3.26Å; F132-V318 VanDerWaalsContact CD1-C 3.48Å; F132-V318 WeakPolarHBondContact CD1-O 3.17Å; F132-K319 HydrophobicContact CE1-CB 4.09Å |
| 133 | L | 98.9 | Very high | 98.5 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | trans | -80.7 | 138.6 | 178.3 | -61.5 | 171.2 | 0 | 0 | 0 | 110.8 | D120 C123 K124 F130 H136 S139 | D120-L133 HydrophobicContact CB-CD2 3.79Å; D120-L133 WeakPolarHBondContact O-CD2 3.26Å; D120-L133 WeakPolarHBondContact OD1-CA 3.49Å; C123-L133 HydrophobicContact CB-CD2 3.6Å; K124-L133 HydrophobicContact CG-CD2 4.11Å; F130-L133 HydrophobicContact CB-CD1 4.31Å; F130-L133 VanDerWaalsContact O-CB 3.28Å; F130-L133 WeakPolarHBondContact O-CB 3.36Å; F130-L133 WeakPolarHBondContact O-CG 3.47Å; F130-L133 PolarHBondContact O-N 2.88Å; L133-H136 HydrophobicContact CB-CB 3.88Å; L133-H136 HydrophobicContact CD1-CB 4.19Å; L133-S139 WeakPolarHBondContact O-CB 3.11Å; L133-S139 PolarHBondContact O-OG 2.82Å | ||
| 134 | H | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -39.1 | 172.7 | -73.8 | -77.8 | 0 | 0 | 0 | 112.4 | M116 D120 G143 W349 | M116-H134 HydrophobicContact CB-CB 4.41Å; M116-H134 HydrophobicContact CE-CB 3.95Å; M116-H134 PolarHBondContact O-CD2 3.33Å; D120-H134 IonicContact OD1-CD2 3.09Å; D120-H134 IonicContact OD1-CG 3.33Å; D120-H134 PolarHBondContact OD1-N 2.92Å; D120-H134 PolarHBondContact OD2-N 3.03Å; H134-G143 PolarHBondContact CE1-O 3.2Å; H134-G143 PolarHBondContact NE2-N 2.96Å; H134-G143 PolarHBondContact NE2-O 2.85Å; H134-W349 AromaticContact CE1-CH2 3.81Å |
| 135 | H | 98.7 | Very high | 98.5 | Very high | 98 Ų | 98 | 35.8 Ų | 35.8 | 45% | 0.454 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 11.2 | -169.2 | -52 | 94.8 | 0 | 0 | 0 | 114 | D120 | D120-H135 IonicContact OD2-CE1 3.4Å; D120-H135 IonicContact OD2-CG 2.97Å; D120-H135 PolarHBondContact OD2-N 2.81Å; D120-H135 IonicContact OD2-ND1 2.77Å; D120-H135 PolarHBondContact OD2-ND1 3.33Å |
| 136 | H | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | trans | -82.2 | 131.9 | 173.5 | -169.9 | -78.3 | 0 | 0 | 0 | 110.1 | F130 L133 D138 S139 | F130-H136 AromaticContact CD2-CE1 3.37Å; F130-H136 WeakPolarHBondContact CD2-CE1 3.39Å; F130-H136 AromaticContact CD2-CG 3.75Å; F130-H136 AromaticContact CD2-ND1 3.32Å; F130-H136 VanDerWaalsContact CD2-ND1 3.32Å; F130-H136 WeakPolarHBondContact CD2-ND1 3.28Å; F130-H136 AromaticContact CD2-NE2 3.8Å; F130-H136 AromaticContact CE2-CE1 3.83Å; F130-H136 AromaticContact CE2-ND1 3.91Å; F130-H136 AromaticContact CG-CE1 3.93Å; F130-H136 AromaticContact CG-NE2 3.91Å; L133-H136 HydrophobicContact CB-CB 3.88Å; L133-H136 HydrophobicContact CD1-CB 4.19Å; H136-D138 VanDerWaalsContact C-N 3.28Å; H136-D138 IonicContact CE1-OD2 3.2Å; H136-D138 PolarHBondContact CE1-OD2 3.38Å; H136-D138 PolarHBondContact ND1-N 3.4Å; H136-D138 VanDerWaalsContact ND1-N 3.18Å; H136-D138 IonicContact ND1-OD2 3.48Å; H136-D138 PolarHBondContact O-N 3.35Å; H136-S139 VanDerWaalsContact O-CB 3.32Å; H136-S139 WeakPolarHBondContact O-CB 3.24Å; H136-S139 PolarHBondContact O-N 3.02Å | ||
| 137 | P | 97.8 | Very high | 98.5 | Very high | 120 Ų | 120 | 36.6 Ų | 36.6 | 78% | 0.779 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -40.1 | -175.5 | -27.5 | 34.7 | 0 | 0 | 0 | 114.3 | S139 | P137-S139 VanDerWaalsContact C-N 3.3Å; P137-S139 PolarHBondContact O-N 2.61Å |
| 138 | D | 97.4 | Very high | 98.6 | Very high | 124 Ų | 124 | 36.8 Ų | 36.8 | 66% | 0.663 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 12.5 | -178.9 | -51.4 | -52 | 0 | 0 | 0 | 113.8 | F130 H136 | F130-D138 HydrophobicContact CE2-CB 3.97Å; H136-D138 VanDerWaalsContact C-N 3.28Å; H136-D138 IonicContact CE1-OD2 3.2Å; H136-D138 PolarHBondContact CE1-OD2 3.38Å; H136-D138 PolarHBondContact ND1-N 3.4Å; H136-D138 VanDerWaalsContact ND1-N 3.18Å; H136-D138 IonicContact ND1-OD2 3.48Å; H136-D138 PolarHBondContact O-N 3.35Å |
| 139 | S | 98.4 | Very high | 98.6 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | trans | -94.2 | 132.8 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | F131 L133 H136 P137 G141 | F131-S139 PolarHBondContact O-OG 2.79Å; L133-S139 WeakPolarHBondContact O-CB 3.11Å; L133-S139 PolarHBondContact O-OG 2.82Å; H136-S139 VanDerWaalsContact O-CB 3.32Å; H136-S139 WeakPolarHBondContact O-CB 3.24Å; H136-S139 PolarHBondContact O-N 3.02Å; P137-S139 VanDerWaalsContact C-N 3.3Å; P137-S139 PolarHBondContact O-N 2.61Å; S139-G141 PolarHBondContact OG-N 2.89Å | ||
| 140 | M | 97.8 | Very high | 98.6 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 52% | 0.522 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -102.5 | 2.3 | 165 | -57.2 | -165.9 | -55 | 0 | 0 | 111.8 | K319 K321 | M140-K319 CarbonylContact C-O 3.55Å; M140-K321 VanDerWaalsContact O-CG 3.27Å; M140-K321 WeakPolarHBondContact O-CG 2.99Å; M140-K321 PolarHBondContact O-N 3.29Å |
| 141 | G | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | trans | -102.6 | -160 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | F131 S139 V318 K319 | F131-G141 WeakPolarHBondContact O-CA 3.27Å; S139-G141 PolarHBondContact OG-N 2.89Å; G141-V318 CarbonylContact C-O 3.56Å; G141-V318 WeakPolarHBondContact CA-O 3.39Å; G141-K319 WeakPolarHBondContact CA-O 3.18Å; G141-K319 PolarHBondContact N-O 3.18Å | ||
| 142 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | 167.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F132 W317 V318 | F132-G142 CarbonylContact O-C 3.37Å; F132-G142 VanDerWaalsContact O-CA 3.27Å; F132-G142 WeakPolarHBondContact O-CA 3.46Å; G142-W317 WeakPolarHBondContact O-CA 3.12Å; G142-V318 PolarHBondContact N-O 2.98Å; G142-V318 VanDerWaalsContact N-O 3.08Å; G142-V318 PolarHBondContact O-N 3.37Å |
| 143 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 144.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H134 F316 | H134-G143 PolarHBondContact CE1-O 3.2Å; H134-G143 PolarHBondContact NE2-N 2.96Å; H134-G143 PolarHBondContact NE2-O 2.85Å; G143-F316 CarbonylContact C-O 3.58Å; G143-F316 VanDerWaalsContact CA-O 3.24Å; G143-F316 WeakPolarHBondContact CA-O 3.23Å |
| 144 | L | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 160.3 | 165.3 | 73.4 | 159 | 0 | 0 | 0 | 113 | M119 F316 L324 F346 W349 Q350 | M119-L144 WeakPolarHBondContact CE-O 3.19Å; L144-F316 HydrophobicContact CD2-CB 4.45Å; L144-F316 HydrophobicContact CD2-CD1 3.54Å; L144-F316 HydrophobicContact CD2-CE1 4.27Å; L144-F316 HydrophobicContact CD2-CG 4.41Å; L144-F316 HydrophobicContact CG-CD1 4.47Å; L144-F316 PolarHBondContact N-O 3.34Å; L144-F316 PolarHBondContact O-N 3.02Å; L144-L324 HydrophobicContact CD2-CD2 4.27Å; L144-F346 HydrophobicContact CB-CD1 3.85Å; L144-F346 HydrophobicContact CB-CE1 3.74Å; L144-F346 HydrophobicContact CB-CZ 4.45Å; L144-F346 HydrophobicContact CD1-CD1 4.43Å; L144-W349 HydrophobicContact CD1-CB 3.46Å; L144-W349 VanDerWaalsContact CD1-CB 3.46Å; L144-W349 HydrophobicContact CD2-CB 4.12Å; L144-W349 HydrophobicContact CD2-CE3 3.83Å; L144-W349 HydrophobicContact CG-CB 4.35Å; L144-Q350 HydrophobicContact CD1-CB 4.28Å |
| 145 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.7 | 173.4 | -65 | 177.1 | 0 | 0 | 0 | 111.6 | E115 M119 T314 A315 R358 L362 | E115-L145 HydrophobicContact CG-CD1 4.15Å; E115-L145 HydrophobicContact CG-CG 4.03Å; E115-L145 PolarHBondContact OE1-N 3.1Å; M119-L145 HydrophobicContact SD-CD2 3.6Å; M119-L145 HydrophobicContact SD-CG 4.02Å; L145-T314 CarbonylContact C-O 3.6Å; L145-T314 VanDerWaalsContact CA-O 3.23Å; L145-T314 WeakPolarHBondContact CA-O 3.19Å; L145-T314 WeakPolarHBondContact CD2-O 3.32Å; L145-A315 HydrophobicContact CD2-CB 4.29Å; L145-R358 HydrophobicContact CB-CB 4.32Å; L145-R358 HydrophobicContact CD1-CB 3.68Å; L145-R358 PolarHBondContact O-NH1 2.89Å; L145-L362 HydrophobicContact CD1-CD2 4.24Å; L145-L362 HydrophobicContact CD2-CD2 4.01Å |
| 146 | Q | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 170.3 | 169.8 | -64.2 | -67.7 | -15.3 | 0 | 0 | 110.4 | T314 F316 W349 | Q146-T314 HydrophobicContact CB-CG2 4.26Å; Q146-T314 PolarHBondContact N-O 3.17Å; Q146-T314 WeakPolarHBondContact O-CB 3.25Å; Q146-T314 PolarHBondContact O-N 3.01Å; Q146-F316 HydrophobicContact CG-CB 4Å; Q146-F316 HydrophobicContact CG-CD1 4.43Å; Q146-W349 PolarHBondContact NE2-O 3.42Å |
| 147 | S | 98.9 | Very high | 98.6 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -80.9 | -41.6 | 175.7 | -24.2 | 0 | 0 | 0 | 0 | 111 | E151 D312 T314 R358 | S147-E151 VanDerWaalsContact CB-OE1 3.26Å; S147-E151 WeakPolarHBondContact CB-OE1 3.4Å; S147-E151 PolarHBondContact OG-OE2 2.84Å; S147-D312 WeakPolarHBondContact CB-OD2 3.15Å; S147-T314 VanDerWaalsContact C-OG1 3.29Å; S147-T314 PolarHBondContact O-OG1 3.33Å; S147-R358 PolarHBondContact OG-NH2 2.77Å |
| 148 | T | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 22.3 Ų | 22.3 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | trans | -136.2 | 153.8 | -178.3 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | S150 E151 G152 F311 T314 | T148-S150 PolarHBondContact O-N 2.68Å; T148-E151 WeakPolarHBondContact CB-OE1 3.41Å; T148-E151 WeakPolarHBondContact CG2-OE1 3.2Å; T148-E151 PolarHBondContact N-OE1 3.36Å; T148-E151 PolarHBondContact O-N 3.4Å; T148-E151 WeakPolarHBondContact OG1-CG 3.44Å; T148-E151 PolarHBondContact OG1-N 2.84Å; T148-E151 PolarHBondContact OG1-OE1 3.38Å; T148-G152 PolarHBondContact O-N 3.29Å; T148-G152 VanDerWaalsContact O-N 3.08Å; T148-F311 HydrophobicContact CG2-CE2 4.01Å; T148-F311 HydrophobicContact CG2-CZ 4.01Å; T148-T314 WeakPolarHBondContact CA-OG1 3.42Å; T148-T314 PolarHBondContact N-OG1 3.25Å | ||
| 149 | V | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 16.4 Ų | 16.4 | 5% | 0.048 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.1 | -37.6 | 163.9 | 160.1 | 0 | 0 | 0 | 0 | 111.1 | E151 G152 T153 D273 A275 V300 N302 T314 | V149-E151 VanDerWaalsContact C-N 3.31Å; V149-E151 PolarHBondContact O-N 2.75Å; V149-G152 CarbonylContact O-C 3.55Å; V149-G152 WeakPolarHBondContact O-CA 3.48Å; V149-G152 PolarHBondContact O-N 3.2Å; V149-T153 PolarHBondContact O-N 3.48Å; V149-T153 PolarHBondContact O-OG1 2.68Å; V149-D273 WeakPolarHBondContact CG1-OD1 3.48Å; V149-D273 WeakPolarHBondContact CG1-OD2 3.39Å; V149-A275 HydrophobicContact CB-CB 4.18Å; V149-A275 HydrophobicContact CG1-CB 4.16Å; V149-A275 HydrophobicContact CG2-CB 3.57Å; V149-V300 HydrophobicContact CB-CG1 4.46Å; V149-V300 HydrophobicContact CB-CG2 4.32Å; V149-V300 HydrophobicContact CG1-CG1 3.89Å; V149-V300 HydrophobicContact CG2-CB 4.5Å; V149-V300 HydrophobicContact CG2-CG1 4.13Å; V149-V300 HydrophobicContact CG2-CG2 3.73Å; V149-N302 WeakPolarHBondContact CG2-OD1 3.38Å; V149-T314 HydrophobicContact CG2-CG2 3.98Å; V149-T314 PolarHBondContact N-OG1 3Å |
| 150 | S | 98.9 | Very high | 98.8 | Very high | 52 Ų | 52 | 15.6 Ų | 15.6 | 36% | 0.364 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -55.7 | -45.3 | 177.4 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | T148 L154 S196 | T148-S150 PolarHBondContact O-N 2.68Å; S150-L154 WeakPolarHBondContact O-CB 3.39Å; S150-L154 PolarHBondContact O-N 3.1Å; S150-S196 WeakPolarHBondContact OG-CB 3.23Å |
| 151 | E | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 13.1 Ų | 13.1 | 24% | 0.243 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.2 | -73.3 | 157.5 | -80.9 | 0 | 0 | 111.4 | S147 T148 V149 T153 L154 V155 | S147-E151 VanDerWaalsContact CB-OE1 3.26Å; S147-E151 WeakPolarHBondContact CB-OE1 3.4Å; S147-E151 PolarHBondContact OG-OE2 2.84Å; T148-E151 WeakPolarHBondContact CB-OE1 3.41Å; T148-E151 WeakPolarHBondContact CG2-OE1 3.2Å; T148-E151 PolarHBondContact N-OE1 3.36Å; T148-E151 PolarHBondContact O-N 3.4Å; T148-E151 WeakPolarHBondContact OG1-CG 3.44Å; T148-E151 PolarHBondContact OG1-N 2.84Å; T148-E151 PolarHBondContact OG1-OE1 3.38Å; V149-E151 VanDerWaalsContact C-N 3.31Å; V149-E151 PolarHBondContact O-N 2.75Å; E151-T153 PolarHBondContact O-N 3.09Å; E151-L154 PolarHBondContact O-N 3.4Å; E151-V155 WeakPolarHBondContact O-CB 3.35Å; E151-V155 VanDerWaalsContact O-CG2 3.27Å; E151-V155 WeakPolarHBondContact O-CG2 3.31Å; E151-V155 PolarHBondContact O-N 3.32Å |
| 152 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T148 V149 V155 A156 | T148-G152 PolarHBondContact O-N 3.29Å; T148-G152 VanDerWaalsContact O-N 3.08Å; V149-G152 CarbonylContact O-C 3.55Å; V149-G152 WeakPolarHBondContact O-CA 3.48Å; V149-G152 PolarHBondContact O-N 3.2Å; G152-V155 PolarHBondContact O-N 3.48Å; G152-A156 WeakPolarHBondContact O-CB 3.5Å; G152-A156 PolarHBondContact O-N 3Å |
| 153 | T | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | V149 E151 A156 L157 V197 H271 | V149-T153 PolarHBondContact O-N 3.48Å; V149-T153 PolarHBondContact O-OG1 2.68Å; E151-T153 PolarHBondContact O-N 3.09Å; T153-A156 PolarHBondContact O-N 2.87Å; T153-L157 WeakPolarHBondContact O-CB 3.4Å; T153-L157 PolarHBondContact O-N 3.01Å; T153-V197 HydrophobicContact CG2-CG2 4.22Å; T153-H271 WeakPolarHBondContact CA-NE2 3.35Å; T153-H271 PolarHBondContact OG1-NE2 3.08Å; T153-H271 VanDerWaalsContact OG1-NE2 3.07Å |
| 154 | L | 98.9 | Very high | 98.8 | Very high | 17 Ų | 17 | 18.3 Ų | 18.3 | 9% | 0.089 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 174 | 174.9 | 60.9 | 0 | 0 | 0 | 111 | S150 E151 A156 L157 L158 A200 I203 I351 | S150-L154 WeakPolarHBondContact O-CB 3.39Å; S150-L154 PolarHBondContact O-N 3.1Å; E151-L154 PolarHBondContact O-N 3.4Å; L154-A156 VanDerWaalsContact C-N 3.33Å; L154-A156 PolarHBondContact O-N 3.5Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.28Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L154-L158 HydrophobicContact CD1-CD1 4.04Å; L154-L158 HydrophobicContact CD1-CD2 4.17Å; L154-L158 HydrophobicContact CD1-CG 3.89Å; L154-L158 HydrophobicContact CG-CD1 3.88Å; L154-L158 HydrophobicContact CG-CG 4.2Å; L154-L158 WeakPolarHBondContact O-CB 3.28Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 2.96Å; L154-A200 HydrophobicContact CB-CB 4.22Å; L154-A200 HydrophobicContact CD1-CB 4.14Å; L154-I203 HydrophobicContact CD1-CB 4.27Å; L154-I203 HydrophobicContact CD1-CG2 4.06Å; L154-I203 HydrophobicContact CD2-CD1 4.15Å; L154-I203 HydrophobicContact CD2-CG2 4.08Å; L154-I351 HydrophobicContact CD2-CD1 3.68Å; L154-I351 HydrophobicContact CG-CD1 4.18Å |
| 155 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.2 | 161.8 | 0 | 0 | 0 | 0 | 111.1 | E151 G152 L158 A159 F316 L324 F328 I351 | E151-V155 WeakPolarHBondContact O-CB 3.35Å; E151-V155 VanDerWaalsContact O-CG2 3.27Å; E151-V155 WeakPolarHBondContact O-CG2 3.31Å; E151-V155 PolarHBondContact O-N 3.32Å; G152-V155 PolarHBondContact O-N 3.48Å; V155-L158 PolarHBondContact O-N 3.29Å; V155-A159 WeakPolarHBondContact O-CB 3.47Å; V155-A159 PolarHBondContact O-N 2.98Å; V155-F316 HydrophobicContact CB-CE1 4.41Å; V155-F316 HydrophobicContact CG1-CD1 4.38Å; V155-F316 HydrophobicContact CG1-CE1 3.54Å; V155-F316 HydrophobicContact CG1-CZ 4.01Å; V155-L324 HydrophobicContact CG1-CD1 3.5Å; V155-L324 VanDerWaalsContact CG1-CD1 3.5Å; V155-L324 HydrophobicContact CG1-CG 4.29Å; V155-F328 HydrophobicContact CG1-CE2 3.98Å; V155-F328 HydrophobicContact CG1-CZ 4.35Å; V155-F328 HydrophobicContact CG2-CE2 4.4Å; V155-F328 HydrophobicContact CG2-CZ 4.12Å; V155-I351 HydrophobicContact CG2-CD1 4.16Å; V155-I351 HydrophobicContact CG2-CG1 3.97Å |
| 156 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G152 T153 L154 A159 A160 M240 H271 F316 | G152-A156 WeakPolarHBondContact O-CB 3.5Å; G152-A156 PolarHBondContact O-N 3Å; T153-A156 PolarHBondContact O-N 2.87Å; L154-A156 VanDerWaalsContact C-N 3.33Å; L154-A156 PolarHBondContact O-N 3.5Å; A156-A159 PolarHBondContact O-N 3.05Å; A156-A160 VanDerWaalsContact O-CB 3.32Å; A156-A160 WeakPolarHBondContact O-CB 3.47Å; A156-A160 PolarHBondContact O-N 2.81Å; A156-M240 HydrophobicContact CB-CE 3.97Å; A156-H271 HydrophobicContact CB-CB 4.22Å; A156-H271 WeakPolarHBondContact CB-ND1 3.11Å; A156-F316 HydrophobicContact CB-CE2 4.21Å; A156-F316 HydrophobicContact CB-CZ 4.15Å |
| 157 | L | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.9 | -177.6 | 70.6 | 0 | 0 | 0 | 112.1 | T153 L154 A159 R161 A187 A200 A204 V206 I208 F239 M240 | T153-L157 WeakPolarHBondContact O-CB 3.4Å; T153-L157 PolarHBondContact O-N 3.01Å; L154-L157 WeakPolarHBondContact O-CB 3.45Å; L154-L157 PolarHBondContact O-N 3.28Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.86Å; L157-R161 WeakPolarHBondContact O-CB 3.42Å; L157-R161 PolarHBondContact O-N 3.13Å; L157-A187 HydrophobicContact CD1-CB 4.2Å; L157-A200 VanDerWaalsContact CD2-C 3.42Å; L157-A200 HydrophobicContact CD2-CB 3.71Å; L157-A200 WeakPolarHBondContact CD2-O 3.2Å; L157-A204 HydrophobicContact CD2-CB 3.67Å; L157-A204 HydrophobicContact CG-CB 4.32Å; L157-V206 HydrophobicContact CD1-CG1 4.26Å; L157-I208 HydrophobicContact CD1-CD1 4.41Å; L157-F239 HydrophobicContact CD1-CE2 4.13Å; L157-F239 HydrophobicContact CD1-CZ 3.7Å; L157-M240 VanDerWaalsContact CA-SD 3.56Å; L157-M240 HydrophobicContact CB-CE 4.36Å; L157-M240 HydrophobicContact CB-SD 3.97Å; L157-M240 HydrophobicContact CD1-SD 3.42Å; L157-M240 WeakPolarHBondContact CD1-SD 3.21Å; L157-M240 HydrophobicContact CG-SD 4.3Å |
| 158 | L | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.2 | -65.6 | 172.4 | 0 | 0 | 0 | 111 | L154 V155 R161 K162 A204 T327 F328 I351 | L154-L158 HydrophobicContact CD1-CD1 4.04Å; L154-L158 HydrophobicContact CD1-CD2 4.17Å; L154-L158 HydrophobicContact CD1-CG 3.89Å; L154-L158 HydrophobicContact CG-CD1 3.88Å; L154-L158 HydrophobicContact CG-CG 4.2Å; L154-L158 WeakPolarHBondContact O-CB 3.28Å; L154-L158 WeakPolarHBondContact O-CG 3.32Å; L154-L158 PolarHBondContact O-N 2.96Å; V155-L158 PolarHBondContact O-N 3.29Å; L158-R161 VanDerWaalsContact CD2-CZ 3.45Å; L158-K162 WeakPolarHBondContact O-CB 3.38Å; L158-K162 PolarHBondContact O-N 3.34Å; L158-A204 HydrophobicContact CD2-CB 4.12Å; L158-T327 HydrophobicContact CB-CG2 3.97Å; L158-F328 HydrophobicContact CB-CZ 4.21Å; L158-F328 HydrophobicContact CD1-CE1 3.98Å; L158-F328 HydrophobicContact CD1-CZ 3.94Å; L158-I351 HydrophobicContact CD1-CD1 4.29Å; L158-I351 HydrophobicContact CD1-CG1 4.44Å |
| 159 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V155 A156 L157 R161 K162 D163 W269 L324 T327 | V155-A159 WeakPolarHBondContact O-CB 3.47Å; V155-A159 PolarHBondContact O-N 2.98Å; A156-A159 PolarHBondContact O-N 3.05Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.86Å; A159-R161 VanDerWaalsContact C-N 3.31Å; A159-R161 PolarHBondContact O-N 2.94Å; A159-K162 PolarHBondContact O-N 2.94Å; A159-D163 VanDerWaalsContact O-CB 3.29Å; A159-D163 WeakPolarHBondContact O-CB 3.38Å; A159-D163 PolarHBondContact O-N 2.83Å; A159-W269 HydrophobicContact CB-CH2 3.88Å; A159-W269 HydrophobicContact CB-CZ2 4.49Å; A159-W269 HydrophobicContact CB-CZ3 4.14Å; A159-L324 HydrophobicContact CB-CD1 3.91Å; A159-T327 WeakPolarHBondContact CA-OG1 3.23Å |
| 160 | A | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A156 K164 F239 M240 W269 | A156-A160 VanDerWaalsContact O-CB 3.32Å; A156-A160 WeakPolarHBondContact O-CB 3.47Å; A156-A160 PolarHBondContact O-N 2.81Å; A160-K164 WeakPolarHBondContact O-CB 3.24Å; A160-K164 PolarHBondContact O-N 2.94Å; A160-F239 HydrophobicContact CB-CD2 3.84Å; A160-F239 HydrophobicContact CB-CE2 3.77Å; A160-M240 HydrophobicContact CB-CB 4.25Å; A160-M240 HydrophobicContact CB-CG 4.33Å; A160-M240 HydrophobicContact CB-SD 4.08Å; A160-W269 HydrophobicContact CB-CB 3.52Å; A160-W269 HydrophobicContact CB-CD2 3.7Å; A160-W269 HydrophobicContact CB-CE3 3.75Å; A160-W269 HydrophobicContact CB-CG 3.61Å |
| 161 | R | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -49.5 | 177.5 | 179.9 | -165.3 | 63.1 | -172.3 | 4.8 | 111.2 | L157 L158 A159 D163 K164 I165 N182 L185 A204 V206 F239 | L157-R161 WeakPolarHBondContact O-CB 3.42Å; L157-R161 PolarHBondContact O-N 3.13Å; L158-R161 VanDerWaalsContact CD2-CZ 3.45Å; A159-R161 VanDerWaalsContact C-N 3.31Å; A159-R161 PolarHBondContact O-N 2.94Å; R161-D163 VanDerWaalsContact C-N 3.34Å; R161-D163 PolarHBondContact O-N 3.14Å; R161-K164 PolarHBondContact O-N 3.4Å; R161-I165 HydrophobicContact CG-CD1 3.86Å; R161-I165 VanDerWaalsContact O-CG1 3.31Å; R161-I165 WeakPolarHBondContact O-CG1 3.29Å; R161-I165 PolarHBondContact O-N 2.99Å; R161-N182 WeakPolarHBondContact CD-OD1 3.16Å; R161-N182 WeakPolarHBondContact CG-OD1 3.41Å; R161-L185 HydrophobicContact CB-CD1 4.43Å; R161-L185 HydrophobicContact CG-CD1 3.69Å; R161-A204 PolarHBondContact NH1-O 3.34Å; R161-V206 HydrophobicContact CG-CG2 4.27Å; R161-F239 HydrophobicContact CB-CE2 3.87Å; R161-F239 HydrophobicContact CB-CZ 4.21Å |
| 162 | K | 98.8 | Very high | 97.7 | Very high | 47 Ų | 47 | 35.9 Ų | 35.9 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | -178.8 | -178 | 53.9 | 173.5 | 166.7 | 0 | 111 | L158 A159 K164 I165 L166 D178 T327 | L158-K162 WeakPolarHBondContact O-CB 3.38Å; L158-K162 PolarHBondContact O-N 3.34Å; A159-K162 PolarHBondContact O-N 2.94Å; K162-K164 PolarHBondContact O-N 2.9Å; K162-I165 PolarHBondContact O-N 3.39Å; K162-L166 HydrophobicContact CD-CD1 4.37Å; K162-L166 HydrophobicContact CD-CG 4.26Å; K162-L166 HydrophobicContact CG-CD1 4.28Å; K162-L166 WeakPolarHBondContact O-CG 3.49Å; K162-L166 PolarHBondContact O-N 3.41Å; K162-D178 IonicContact NZ-OD2 2.77Å; K162-D178 PolarHBondContact NZ-OD2 2.82Å; K162-T327 HydrophobicContact CB-CG2 4.3Å |
| 163 | D | 98.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 44.6 Ų | 44.6 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 175.9 | -168 | 60.7 | 0 | 0 | 0 | 111.3 | A159 R161 L166 Q167 K323 Q326 | A159-D163 VanDerWaalsContact O-CB 3.29Å; A159-D163 WeakPolarHBondContact O-CB 3.38Å; A159-D163 PolarHBondContact O-N 2.83Å; R161-D163 VanDerWaalsContact C-N 3.34Å; R161-D163 PolarHBondContact O-N 3.14Å; D163-L166 PolarHBondContact O-N 2.93Å; D163-Q167 WeakPolarHBondContact O-CG 3.29Å; D163-Q167 PolarHBondContact O-N 2.9Å; D163-Q167 VanDerWaalsContact O-N 3.08Å; D163-Q167 PolarHBondContact OD2-NE2 3.27Å; D163-K323 HydrophobicContact CB-CD 4.42Å; D163-K323 IonicContact OD1-NZ 3.21Å; D163-K323 WeakPolarHBondContact OD2-CE 3.26Å; D163-K323 IonicContact OD2-NZ 3.18Å; D163-K323 PolarHBondContact OD2-NZ 3.01Å; D163-Q326 PolarHBondContact OD1-NE2 3.42Å; D163-Q326 VanDerWaalsContact OD1-NE2 3.14Å |
| 164 | K | 98.7 | Very high | 96.6 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 179.8 | -166.6 | 58.6 | 171.8 | 174.6 | 0 | 113 | A160 R161 K162 L166 Q167 L168 L185 V237 F239 | A160-K164 WeakPolarHBondContact O-CB 3.24Å; A160-K164 PolarHBondContact O-N 2.94Å; R161-K164 PolarHBondContact O-N 3.4Å; K162-K164 PolarHBondContact O-N 2.9Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-Q167 PolarHBondContact O-N 2.99Å; K164-L168 HydrophobicContact CG-CD1 4.42Å; K164-L168 WeakPolarHBondContact O-CG 3.35Å; K164-L168 PolarHBondContact O-N 2.76Å; K164-L185 HydrophobicContact CG-CD2 3.94Å; K164-V237 HydrophobicContact CG-CG1 4.27Å; K164-F239 HydrophobicContact CB-CB 4.05Å; K164-F239 HydrophobicContact CD-CB 4.5Å; K164-F239 HydrophobicContact CG-CB 3.82Å |
| 165 | I | 98.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.4 | -73 | 169 | 0 | 0 | 0 | 110.5 | R161 K162 Q167 L168 K169 D178 L181 N182 L185 | R161-I165 HydrophobicContact CG-CD1 3.86Å; R161-I165 VanDerWaalsContact O-CG1 3.31Å; R161-I165 WeakPolarHBondContact O-CG1 3.29Å; R161-I165 PolarHBondContact O-N 2.99Å; K162-I165 PolarHBondContact O-N 3.39Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.01Å; I165-L168 PolarHBondContact O-N 2.97Å; I165-K169 HydrophobicContact CG2-CD 4.04Å; I165-K169 HydrophobicContact CG2-CG 4.39Å; I165-K169 WeakPolarHBondContact O-CG 3.38Å; I165-K169 PolarHBondContact O-N 2.79Å; I165-D178 WeakPolarHBondContact CD1-O 3.5Å; I165-D178 HydrophobicContact CG2-CB 4.03Å; I165-L181 HydrophobicContact CG1-CB 4.27Å; I165-L181 HydrophobicContact CG2-CD1 4.14Å; I165-N182 HydrophobicContact CD1-CB 4.06Å; I165-L185 HydrophobicContact CD1-CD1 4.46Å; I165-L185 HydrophobicContact CG1-CD1 4.09Å |
| 166 | L | 97.3 | Very high | 96 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.9 | -69.7 | 173.9 | 0 | 0 | 0 | 112.2 | K162 D163 K164 K169 A170 | K162-L166 HydrophobicContact CD-CD1 4.37Å; K162-L166 HydrophobicContact CD-CG 4.26Å; K162-L166 HydrophobicContact CG-CD1 4.28Å; K162-L166 WeakPolarHBondContact O-CG 3.49Å; K162-L166 PolarHBondContact O-N 3.41Å; D163-L166 PolarHBondContact O-N 2.93Å; K164-L166 VanDerWaalsContact C-N 3.34Å; L166-K169 PolarHBondContact O-N 3.02Å; L166-A170 PolarHBondContact O-N 2.89Å; L166-A170 VanDerWaalsContact O-N 3.14Å |
| 167 | Q | 97.3 | Very high | 95.8 | Very high | 75 Ų | 75 | 66 Ų | 66 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 173.4 | -68.6 | 168.2 | 22.2 | 0 | 0 | 111.7 | D163 K164 I165 K169 A170 E171 | D163-Q167 WeakPolarHBondContact O-CG 3.29Å; D163-Q167 PolarHBondContact O-N 2.9Å; D163-Q167 VanDerWaalsContact O-N 3.08Å; D163-Q167 PolarHBondContact OD2-NE2 3.27Å; K164-Q167 PolarHBondContact O-N 2.99Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.01Å; Q167-K169 VanDerWaalsContact C-N 3.3Å; Q167-K169 PolarHBondContact O-N 3.19Å; Q167-A170 WeakPolarHBondContact O-CB 3.38Å; Q167-A170 PolarHBondContact O-N 2.87Å; Q167-A170 VanDerWaalsContact O-N 3.13Å; Q167-E171 PolarHBondContact O-N 3.39Å |
| 168 | L | 96.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 68.1 Ų | 68.1 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 178.9 | -69.5 | 173 | 0 | 0 | 0 | 112 | K164 I165 A170 E171 L172 L181 L185 V237 | K164-L168 HydrophobicContact CG-CD1 4.42Å; K164-L168 WeakPolarHBondContact O-CG 3.35Å; K164-L168 PolarHBondContact O-N 2.76Å; I165-L168 PolarHBondContact O-N 2.97Å; L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 3.43Å; L168-E171 PolarHBondContact O-N 2.85Å; L168-L172 VanDerWaalsContact O-CG 3.31Å; L168-L172 WeakPolarHBondContact O-CG 3.43Å; L168-L172 PolarHBondContact O-N 3.35Å; L168-L181 HydrophobicContact CB-CD1 4.32Å; L168-L181 HydrophobicContact CB-CD2 4.48Å; L168-L185 HydrophobicContact CD1-CD2 4.03Å; L168-V237 HydrophobicContact CD1-CG1 4.48Å |
| 169 | K | 95.9 | Very high | 95.7 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 176.2 | -72.2 | -179.2 | 81.1 | 167 | 0 | 112.5 | I165 L166 Q167 E171 L172 D178 L181 | I165-K169 HydrophobicContact CG2-CD 4.04Å; I165-K169 HydrophobicContact CG2-CG 4.39Å; I165-K169 WeakPolarHBondContact O-CG 3.38Å; I165-K169 PolarHBondContact O-N 2.79Å; L166-K169 PolarHBondContact O-N 3.02Å; Q167-K169 VanDerWaalsContact C-N 3.3Å; Q167-K169 PolarHBondContact O-N 3.19Å; K169-E171 PolarHBondContact O-N 3.07Å; K169-L172 PolarHBondContact O-N 2.83Å; K169-D178 WeakPolarHBondContact CD-OD1 3.48Å; K169-D178 IonicContact NZ-OD1 3.72Å; K169-D178 PolarHBondContact NZ-OD1 3.25Å; K169-L181 HydrophobicContact CD-CD1 4.12Å; K169-L181 HydrophobicContact CG-CD1 3.33Å |
| 170 | A | 95.2 | Very high | 95.6 | Very high | 90 Ų | 90 | 74.3 Ų | 74.3 | 74% | 0.744 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68 | -19.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L166 Q167 L168 | L166-A170 PolarHBondContact O-N 2.89Å; L166-A170 VanDerWaalsContact O-N 3.14Å; Q167-A170 WeakPolarHBondContact O-CB 3.38Å; Q167-A170 PolarHBondContact O-N 2.87Å; Q167-A170 VanDerWaalsContact O-N 3.13Å; L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 3.43Å |
| 171 | E | 93.5 | Very high | 95.6 | Very high | 141 Ų | 141 | 75 Ų | 75 | 66% | 0.659 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -7.3 | 177 | -65.3 | 172.1 | -173.1 | 0 | 0 | 113.2 | Q167 L168 K169 | Q167-E171 PolarHBondContact O-N 3.39Å; L168-E171 PolarHBondContact O-N 2.85Å; K169-E171 PolarHBondContact O-N 3.07Å |
| 172 | L | 92.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | trans | -104.9 | 135.9 | -175.8 | -66.7 | 169.1 | 0 | 0 | 0 | 111.6 | L168 K169 Q174 V176 L181 | L168-L172 VanDerWaalsContact O-CG 3.31Å; L168-L172 WeakPolarHBondContact O-CG 3.43Å; L168-L172 PolarHBondContact O-N 3.35Å; K169-L172 PolarHBondContact O-N 2.83Å; L172-Q174 VanDerWaalsContact C-N 3.25Å; L172-Q174 PolarHBondContact O-N 2.94Å; L172-V176 HydrophobicContact CD1-CB 4.3Å; L172-V176 HydrophobicContact CD1-CG2 3.9Å; L172-L181 HydrophobicContact CD1-CD1 4.48Å; L172-L181 HydrophobicContact CD1-CD2 3.92Å | ||
| 173 | D | 86.1 | Confident | 95.6 | Very high | 182 Ų | 182 | 73.5 Ų | 73.5 | 97% | 0.973 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -79.4 | -5.4 | 176.6 | -65.7 | -43.3 | 0 | 0 | 0 | 113.8 | ||
| 174 | Q | 87.7 | Confident | 95.5 | Very high | 144 Ų | 144 | 74.5 Ų | 74.5 | 67% | 0.673 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -129.1 | 148.7 | -177.1 | 62.8 | 179.9 | -9 | 0 | 0 | 111.3 | L172 V176 | L172-Q174 VanDerWaalsContact C-N 3.25Å; L172-Q174 PolarHBondContact O-N 2.94Å; Q174-V176 HydrophobicContact CG-CG2 4.08Å; Q174-V176 PolarHBondContact O-N 3.49Å |
| 175 | E | 90.3 | Very high | 95.5 | Very high | 193 Ų | 193 | 72.7 Ų | 72.7 | 90% | 0.902 | 40% | 0.395 | S | S | * | . | trans | -69 | 118.7 | 174 | -68.4 | -144.5 | 142.4 | 0 | 0 | 110.8 | ||||
| 176 | V | 94.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | -116.3 | 137.8 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | L172 Q174 V180 L181 | L172-V176 HydrophobicContact CD1-CB 4.3Å; L172-V176 HydrophobicContact CD1-CG2 3.9Å; Q174-V176 HydrophobicContact CG-CG2 4.08Å; Q174-V176 PolarHBondContact O-N 3.49Å; V176-V180 HydrophobicContact CG1-CB 3.94Å; V176-V180 HydrophobicContact CG1-CG1 3.89Å; V176-L181 HydrophobicContact CB-CD1 4.49Å; V176-L181 HydrophobicContact CB-CD2 4.46Å; V176-L181 HydrophobicContact CB-CG 4.36Å; V176-L181 HydrophobicContact CG1-CD2 4.02Å; V176-L181 HydrophobicContact CG1-CG 3.91Å | ||
| 177 | D | 96.6 | Very high | 95.6 | Very high | 104 Ų | 104 | 69.6 Ų | 69.6 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | trans | -61.6 | 137.6 | 176.6 | -179.9 | -94.4 | 0 | 0 | 0 | 111.8 | S179 V180 L181 | D177-S179 PolarHBondContact O-N 2.91Å; D177-S179 WeakPolarHBondContact OD1-CA 3.44Å; D177-S179 WeakPolarHBondContact OD1-CB 3.46Å; D177-S179 PolarHBondContact OD1-N 2.86Å; D177-V180 HydrophobicContact CB-CB 4.49Å; D177-V180 HydrophobicContact CB-CG2 4.06Å; D177-V180 WeakPolarHBondContact O-CB 3.27Å; D177-V180 PolarHBondContact O-N 2.8Å; D177-V180 PolarHBondContact OD1-N 2.96Å; D177-L181 PolarHBondContact O-N 3.33Å | ||
| 178 | D | 97.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.5 | -34.1 | -177.8 | -77.1 | 24.7 | 0 | 0 | 0 | 111.5 | K162 I165 K169 L181 N182 | K162-D178 IonicContact NZ-OD2 2.77Å; K162-D178 PolarHBondContact NZ-OD2 2.82Å; I165-D178 WeakPolarHBondContact CD1-O 3.5Å; I165-D178 HydrophobicContact CG2-CB 4.03Å; K169-D178 WeakPolarHBondContact CD-OD1 3.48Å; K169-D178 IonicContact NZ-OD1 3.72Å; K169-D178 PolarHBondContact NZ-OD1 3.25Å; D178-L181 PolarHBondContact O-N 2.92Å; D178-N182 WeakPolarHBondContact O-CB 3.47Å; D178-N182 PolarHBondContact O-N 2.89Å |
| 179 | S | 97.6 | Very high | 95.8 | Very high | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74.3 | -29.4 | 179.4 | -167.9 | 0 | 0 | 0 | 0 | 112.8 | D177 N182 S183 | D177-S179 PolarHBondContact O-N 2.91Å; D177-S179 WeakPolarHBondContact OD1-CA 3.44Å; D177-S179 WeakPolarHBondContact OD1-CB 3.46Å; D177-S179 PolarHBondContact OD1-N 2.86Å; S179-N182 PolarHBondContact O-N 3.01Å; S179-S183 PolarHBondContact O-N 2.92Å; S179-S183 VanDerWaalsContact O-N 3.13Å |
| 180 | V | 97.6 | Very high | 96 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 173.2 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | V176 D177 N182 S183 | V176-V180 HydrophobicContact CG1-CB 3.94Å; V176-V180 HydrophobicContact CG1-CG1 3.89Å; D177-V180 HydrophobicContact CB-CB 4.49Å; D177-V180 HydrophobicContact CB-CG2 4.06Å; D177-V180 WeakPolarHBondContact O-CB 3.27Å; D177-V180 PolarHBondContact O-N 2.8Å; D177-V180 PolarHBondContact OD1-N 2.96Å; V180-N182 PolarHBondContact O-N 2.86Å; V180-S183 WeakPolarHBondContact O-CB 3.42Å; V180-S183 PolarHBondContact O-N 3.16Å; V180-S183 VanDerWaalsContact O-N 3.15Å; V180-S183 PolarHBondContact O-OG 3.36Å |
| 181 | L | 98 | Very high | 96.1 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 174.4 | -64.6 | 175.9 | 0 | 0 | 0 | 111.7 | I165 L168 K169 L172 V176 D177 D178 S183 T184 | I165-L181 HydrophobicContact CG1-CB 4.27Å; I165-L181 HydrophobicContact CG2-CD1 4.14Å; L168-L181 HydrophobicContact CB-CD1 4.32Å; L168-L181 HydrophobicContact CB-CD2 4.48Å; K169-L181 HydrophobicContact CD-CD1 4.12Å; K169-L181 HydrophobicContact CG-CD1 3.33Å; L172-L181 HydrophobicContact CD1-CD1 4.48Å; L172-L181 HydrophobicContact CD1-CD2 3.92Å; V176-L181 HydrophobicContact CB-CD1 4.49Å; V176-L181 HydrophobicContact CB-CD2 4.46Å; V176-L181 HydrophobicContact CB-CG 4.36Å; V176-L181 HydrophobicContact CG1-CD2 4.02Å; V176-L181 HydrophobicContact CG1-CG 3.91Å; D177-L181 PolarHBondContact O-N 3.33Å; D178-L181 PolarHBondContact O-N 2.92Å; L181-S183 PolarHBondContact O-N 3.24Å; L181-T184 PolarHBondContact O-N 3.39Å; L181-T184 PolarHBondContact O-OG1 3.25Å |
| 182 | N | 98.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.1 | -33.9 | 174.3 | -178.2 | 55.8 | 0 | 0 | 0 | 112.6 | R161 I165 D178 S179 V180 T184 L185 A204 L205 V206 | R161-N182 WeakPolarHBondContact CD-OD1 3.16Å; R161-N182 WeakPolarHBondContact CG-OD1 3.41Å; I165-N182 HydrophobicContact CD1-CB 4.06Å; D178-N182 WeakPolarHBondContact O-CB 3.47Å; D178-N182 PolarHBondContact O-N 2.89Å; S179-N182 PolarHBondContact O-N 3.01Å; V180-N182 PolarHBondContact O-N 2.86Å; N182-T184 PolarHBondContact O-N 2.93Å; N182-T184 VanDerWaalsContact O-N 3.17Å; N182-L185 WeakPolarHBondContact O-CB 3.18Å; N182-L185 PolarHBondContact O-N 2.88Å; N182-L185 VanDerWaalsContact O-N 3.1Å; N182-A204 PolarHBondContact ND2-O 2.91Å; N182-L205 PolarHBondContact ND2-O 3.38Å; N182-V206 WeakPolarHBondContact OD1-CG2 3.45Å |
| 183 | S | 98.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.9 | 179.9 | 83.4 | 0 | 0 | 0 | 0 | 113.8 | S179 V180 L181 K207 | S179-S183 PolarHBondContact O-N 2.92Å; S179-S183 VanDerWaalsContact O-N 3.13Å; V180-S183 WeakPolarHBondContact O-CB 3.42Å; V180-S183 PolarHBondContact O-N 3.16Å; V180-S183 VanDerWaalsContact O-N 3.15Å; V180-S183 PolarHBondContact O-OG 3.36Å; L181-S183 PolarHBondContact O-N 3.24Å; S183-K207 PolarHBondContact O-NZ 2.79Å |
| 184 | T | 98.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -13.4 | 176.2 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | L181 N182 L236 V237 | L181-T184 PolarHBondContact O-N 3.39Å; L181-T184 PolarHBondContact O-OG1 3.25Å; N182-T184 PolarHBondContact O-N 2.93Å; N182-T184 VanDerWaalsContact O-N 3.17Å; T184-L236 CarbonylContact O-C 3.51Å; T184-L236 VanDerWaalsContact O-CA 3.29Å; T184-L236 WeakPolarHBondContact O-CA 3.33Å; T184-L236 WeakPolarHBondContact O-CD2 3.38Å; T184-V237 PolarHBondContact O-N 3.36Å |
| 185 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 144.2 | -174.6 | -59.3 | -175 | 0 | 0 | 0 | 112.4 | R161 K164 I165 L168 N182 V237 F239 | R161-L185 HydrophobicContact CB-CD1 4.43Å; R161-L185 HydrophobicContact CG-CD1 3.69Å; K164-L185 HydrophobicContact CG-CD2 3.94Å; I165-L185 HydrophobicContact CD1-CD1 4.46Å; I165-L185 HydrophobicContact CG1-CD1 4.09Å; L168-L185 HydrophobicContact CD1-CD2 4.03Å; N182-L185 WeakPolarHBondContact O-CB 3.18Å; N182-L185 PolarHBondContact O-N 2.88Å; N182-L185 VanDerWaalsContact O-N 3.1Å; L185-V237 WeakPolarHBondContact CA-O 3.37Å; L185-V237 HydrophobicContact CD2-CB 3.85Å; L185-V237 HydrophobicContact CD2-CG1 3.96Å; L185-F239 HydrophobicContact CB-CD1 3.69Å; L185-F239 HydrophobicContact CB-CE1 3.7Å; L185-F239 HydrophobicContact CD1-CD1 4.33Å; L185-F239 HydrophobicContact CD1-CE1 4.37Å; L185-F239 HydrophobicContact CD2-CD1 4.43Å; L185-F239 HydrophobicContact CG-CD1 4.36Å |
| 186 | V | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.9 | 172.2 | 62 | 0 | 0 | 0 | 0 | 111.2 | Y188 K207 R209 D231 L236 V237 P238 F239 | V186-Y188 HydrophobicContact CG1-CE2 4.44Å; V186-Y188 WeakPolarHBondContact CG1-OH 3.29Å; V186-Y188 HydrophobicContact CG2-CE1 4.2Å; V186-K207 WeakPolarHBondContact CA-O 3.49Å; V186-K207 HydrophobicContact CB-CB 4.45Å; V186-K207 HydrophobicContact CG2-CB 4.33Å; V186-R209 HydrophobicContact CG2-CB 4.15Å; V186-D231 HydrophobicContact CG1-CB 4.08Å; V186-L236 HydrophobicContact CB-CB 4.46Å; V186-L236 HydrophobicContact CB-CD1 4.35Å; V186-L236 HydrophobicContact CG1-CB 3.92Å; V186-L236 HydrophobicContact CG1-CD1 4.43Å; V186-V237 PolarHBondContact N-O 3.35Å; V186-P238 HydrophobicContact CG1-CG 4.42Å; V186-P238 WeakPolarHBondContact O-CA 3.42Å; V186-F239 VanDerWaalsContact O-CD1 3.22Å; V186-F239 WeakPolarHBondContact O-CD1 3.49Å; V186-F239 PolarHBondContact O-N 3.17Å; V186-F239 VanDerWaalsContact O-N 3.16Å |
| 187 | A | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 159.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L157 V206 K207 I208 R209 F239 M240 | L157-A187 HydrophobicContact CD1-CB 4.2Å; A187-V206 HydrophobicContact CB-CG1 4.26Å; A187-K207 PolarHBondContact N-O 3.41Å; A187-I208 HydrophobicContact CB-CD1 3.79Å; A187-I208 CarbonylContact O-C 3.6Å; A187-I208 WeakPolarHBondContact O-CA 3.48Å; A187-R209 PolarHBondContact O-N 3.46Å; A187-F239 HydrophobicContact CB-CD1 4.47Å; A187-F239 HydrophobicContact CB-CE1 3.76Å; A187-F239 HydrophobicContact CB-CZ 3.99Å; A187-M240 CarbonylContact C-O 3.53Å; A187-M240 VanDerWaalsContact CA-O 3.28Å; A187-M240 WeakPolarHBondContact CA-O 3.49Å; A187-M240 HydrophobicContact CB-CB 3.94Å |
| 188 | Y | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 153.5 | -175.4 | -51.8 | -82.1 | 0 | 0 | 0 | 111.9 | V186 R209 L211 L224 A227 I228 D231 P238 M240 L241 C242 L268 | V186-Y188 HydrophobicContact CG1-CE2 4.44Å; V186-Y188 WeakPolarHBondContact CG1-OH 3.29Å; V186-Y188 HydrophobicContact CG2-CE1 4.2Å; Y188-R209 WeakPolarHBondContact CA-O 3.27Å; Y188-R209 HydrophobicContact CD1-CB 3.94Å; Y188-R209 HydrophobicContact CD1-CG 4.47Å; Y188-R209 HydrophobicContact CE1-CB 4.18Å; Y188-L211 HydrophobicContact CD1-CD1 4.03Å; Y188-L211 HydrophobicContact CD1-CD2 4.23Å; Y188-L211 HydrophobicContact CD1-CG 4.29Å; Y188-L211 HydrophobicContact CG-CD1 4.3Å; Y188-L224 HydrophobicContact CD2-CD1 3.9Å; Y188-L224 HydrophobicContact CG-CD1 3.9Å; Y188-A227 HydrophobicContact CD1-CB 4.23Å; Y188-A227 HydrophobicContact CE1-CB 3.91Å; Y188-I228 HydrophobicContact CE2-CG1 3.93Å; Y188-D231 WeakPolarHBondContact CE1-OD2 3.33Å; Y188-D231 PolarHBondContact OH-OD2 3.35Å; Y188-P238 HydrophobicContact CE2-CB 3.91Å; Y188-P238 WeakPolarHBondContact OH-CG 3.08Å; Y188-M240 WeakPolarHBondContact CD2-O 3.49Å; Y188-M240 PolarHBondContact N-O 2.87Å; Y188-L241 WeakPolarHBondContact O-CA 3.42Å; Y188-C242 PolarHBondContact O-N 2.98Å; Y188-L268 HydrophobicContact CD2-CD2 4.17Å; Y188-L268 HydrophobicContact CE2-CD2 4.28Å |
| 189 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 164.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A193 V197 R209 F210 L211 C242 | A189-A193 HydrophobicContact CB-CB 3.84Å; A189-V197 HydrophobicContact CB-CG1 3.81Å; A189-R209 PolarHBondContact N-O 3.08Å; A189-F210 HydrophobicContact CB-CD1 4.06Å; A189-F210 HydrophobicContact CB-CE1 4.04Å; A189-F210 CarbonylContact O-C 3.55Å; A189-F210 WeakPolarHBondContact O-CA 3.36Å; A189-L211 PolarHBondContact O-N 2.87Å; A189-C242 HydrophobicContact CB-CB 4.15Å |
| 190 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 146.5 | 167.3 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | Q192 A193 F210 | S190-Q192 PolarHBondContact O-N 3.31Å; S190-Q192 VanDerWaalsContact O-N 3.13Å; S190-Q192 PolarHBondContact OG-N 2.78Å; S190-A193 WeakPolarHBondContact O-CB 3.36Å; S190-A193 PolarHBondContact O-N 3.11Å; S190-F210 WeakPolarHBondContact O-CD1 3.42Å |
| 191 | D | 97.9 | Very high | 98.6 | Very high | 72 Ų | 72 | 31 Ų | 31 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.3 | 168.2 | 74 | 12.5 | 0 | 0 | 0 | 113.3 | F210 L211 P213 | D191-F210 HydrophobicContact CB-CB 4.16Å; D191-L211 PolarHBondContact N-O 2.87Å; D191-P213 VanDerWaalsContact CG-CD 3.41Å; D191-P213 WeakPolarHBondContact OD1-CD 3.38Å; D191-P213 WeakPolarHBondContact OD2-CD 3.46Å |
| 192 | Q | 98.3 | Very high | 98.6 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 15% | 0.145 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.4 | 171.1 | -55.5 | -57.9 | -60.4 | 0 | 0 | 113.3 | S190 P213 L217 T247 | S190-Q192 PolarHBondContact O-N 3.31Å; S190-Q192 VanDerWaalsContact O-N 3.13Å; S190-Q192 PolarHBondContact OG-N 2.78Å; Q192-P213 HydrophobicContact CG-CG 3.97Å; Q192-L217 HydrophobicContact CG-CB 4.28Å; Q192-T247 HydrophobicContact CB-CG2 3.71Å |
| 193 | A | 98.4 | Very high | 98.7 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -60.6 | 152.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | A189 S190 V197 F210 | A189-A193 HydrophobicContact CB-CB 3.84Å; S190-A193 WeakPolarHBondContact O-CB 3.36Å; S190-A193 PolarHBondContact O-N 3.11Å; A193-V197 HydrophobicContact CB-CB 4.44Å; A193-V197 HydrophobicContact CB-CG2 4.03Å; A193-F210 HydrophobicContact CB-CE1 4.4Å |
| 194 | H | 98.6 | Very high | 98.7 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 30% | 0.296 | 20% | 0.198 | S | C | . | . | trans | -66.3 | 149.2 | 177.4 | -178.1 | -103.4 | 0 | 0 | 0 | 110.7 | S196 V197 T248 | H194-S196 VanDerWaalsContact ND1-CB 3.28Å; H194-S196 WeakPolarHBondContact ND1-CB 3.29Å; H194-S196 PolarHBondContact ND1-N 3.2Å; H194-S196 VanDerWaalsContact ND1-N 3.13Å; H194-S196 PolarHBondContact ND1-OG 3.27Å; H194-S196 PolarHBondContact O-N 2.94Å; H194-V197 PolarHBondContact O-N 3.35Å; H194-T248 PolarHBondContact CD2-OG1 3.13Å | ||
| 195 | S | 98.3 | Very high | 98.7 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 52% | 0.524 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.6 | -14.2 | -179.3 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | V197 E198 K199 | S195-V197 PolarHBondContact O-N 2.87Å; S195-E198 PolarHBondContact O-N 3.04Å; S195-K199 WeakPolarHBondContact O-CB 3.28Å; S195-K199 PolarHBondContact O-N 3.45Å |
| 196 | S | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -30.1 | 169.6 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | S150 H194 K199 A200 | S150-S196 WeakPolarHBondContact OG-CB 3.23Å; H194-S196 VanDerWaalsContact ND1-CB 3.28Å; H194-S196 WeakPolarHBondContact ND1-CB 3.29Å; H194-S196 PolarHBondContact ND1-N 3.2Å; H194-S196 VanDerWaalsContact ND1-N 3.13Å; H194-S196 PolarHBondContact ND1-OG 3.27Å; H194-S196 PolarHBondContact O-N 2.94Å; S196-K199 PolarHBondContact O-N 3.13Å; S196-A200 WeakPolarHBondContact O-CB 3.22Å; S196-A200 PolarHBondContact O-N 3.38Å |
| 197 | V | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -46.3 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | T153 A189 A193 H194 S195 K199 A200 G201 I208 F210 C242 | T153-V197 HydrophobicContact CG2-CG2 4.22Å; A189-V197 HydrophobicContact CB-CG1 3.81Å; A193-V197 HydrophobicContact CB-CB 4.44Å; A193-V197 HydrophobicContact CB-CG2 4.03Å; H194-V197 PolarHBondContact O-N 3.35Å; S195-V197 PolarHBondContact O-N 2.87Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3Å; V197-A200 PolarHBondContact O-N 2.99Å; V197-G201 PolarHBondContact O-N 3.39Å; V197-G201 VanDerWaalsContact O-N 3.1Å; V197-I208 HydrophobicContact CG1-CG2 4.17Å; V197-F210 HydrophobicContact CB-CE1 4.43Å; V197-F210 HydrophobicContact CG1-CE1 4.32Å; V197-C242 HydrophobicContact CG1-CB 4.15Å; V197-C242 HydrophobicContact CG2-CB 4.33Å |
| 198 | E | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 48.1 Ų | 48.1 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.1 | -48.7 | 172.9 | -171.8 | -177.8 | -177 | 0 | 0 | 110.4 | S195 A200 G201 L202 F210 | S195-E198 PolarHBondContact O-N 3.04Å; E198-A200 VanDerWaalsContact C-N 3.29Å; E198-A200 PolarHBondContact O-N 3.18Å; E198-G201 WeakPolarHBondContact O-CA 3.44Å; E198-G201 PolarHBondContact O-N 3.21Å; E198-L202 WeakPolarHBondContact O-CG 3.45Å; E198-L202 PolarHBondContact O-N 3.37Å; E198-F210 HydrophobicContact CB-CE2 4.1Å; E198-F210 HydrophobicContact CB-CZ 3.7Å; E198-F210 HydrophobicContact CG-CE2 4.19Å; E198-F210 HydrophobicContact CG-CZ 4.3Å |
| 199 | K | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 51.2 Ų | 51.2 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.1 | -35.9 | -179.8 | -165.3 | 172.9 | -176 | 177.4 | 0 | 112.7 | S195 S196 V197 L202 I203 | S195-K199 WeakPolarHBondContact O-CB 3.28Å; S195-K199 PolarHBondContact O-N 3.45Å; S196-K199 PolarHBondContact O-N 3.13Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3Å; K199-L202 PolarHBondContact O-N 3.13Å; K199-I203 HydrophobicContact CG-CD1 4.15Å; K199-I203 VanDerWaalsContact O-CG1 3.31Å; K199-I203 WeakPolarHBondContact O-CG1 3.39Å; K199-I203 PolarHBondContact O-N 2.81Å |
| 200 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | L154 L157 S196 V197 E198 I203 A204 | L154-A200 HydrophobicContact CB-CB 4.22Å; L154-A200 HydrophobicContact CD1-CB 4.14Å; L157-A200 VanDerWaalsContact CD2-C 3.42Å; L157-A200 HydrophobicContact CD2-CB 3.71Å; L157-A200 WeakPolarHBondContact CD2-O 3.2Å; S196-A200 WeakPolarHBondContact O-CB 3.22Å; S196-A200 PolarHBondContact O-N 3.38Å; V197-A200 PolarHBondContact O-N 2.99Å; E198-A200 VanDerWaalsContact C-N 3.29Å; E198-A200 PolarHBondContact O-N 3.18Å; A200-I203 PolarHBondContact O-N 2.88Å; A200-A204 WeakPolarHBondContact O-CB 3.15Å; A200-A204 PolarHBondContact O-N 3.26Å |
| 201 | G | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V197 E198 I203 A204 L205 V206 | V197-G201 PolarHBondContact O-N 3.39Å; V197-G201 VanDerWaalsContact O-N 3.1Å; E198-G201 WeakPolarHBondContact O-CA 3.44Å; E198-G201 PolarHBondContact O-N 3.21Å; G201-I203 PolarHBondContact O-N 3Å; G201-A204 PolarHBondContact O-N 3.01Å; G201-L205 WeakPolarHBondContact O-CA 3.29Å; G201-L205 PolarHBondContact O-N 3Å; G201-V206 PolarHBondContact O-N 3.16Å |
| 202 | L | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 55.2 Ų | 55.2 | 62% | 0.618 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 177.2 | -66.9 | 174.9 | 0 | 0 | 0 | 112.2 | E198 K199 | E198-L202 WeakPolarHBondContact O-CG 3.45Å; E198-L202 PolarHBondContact O-N 3.37Å; K199-L202 PolarHBondContact O-N 3.13Å |
| 203 | I | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 54.7 Ų | 54.7 | 52% | 0.523 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 179 | -67.9 | 165.6 | 0 | 0 | 0 | 111 | L154 K199 A200 G201 L205 | L154-I203 HydrophobicContact CD1-CB 4.27Å; L154-I203 HydrophobicContact CD1-CG2 4.06Å; L154-I203 HydrophobicContact CD2-CD1 4.15Å; L154-I203 HydrophobicContact CD2-CG2 4.08Å; K199-I203 HydrophobicContact CG-CD1 4.15Å; K199-I203 VanDerWaalsContact O-CG1 3.31Å; K199-I203 WeakPolarHBondContact O-CG1 3.39Å; K199-I203 PolarHBondContact O-N 2.81Å; A200-I203 PolarHBondContact O-N 2.88Å; G201-I203 PolarHBondContact O-N 3Å; I203-L205 VanDerWaalsContact C-N 3.31Å; I203-L205 PolarHBondContact O-N 3.28Å |
| 204 | A | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -83.3 | -5.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L157 L158 R161 N182 A200 G201 V206 | L157-A204 HydrophobicContact CD2-CB 3.67Å; L157-A204 HydrophobicContact CG-CB 4.32Å; L158-A204 HydrophobicContact CD2-CB 4.12Å; R161-A204 PolarHBondContact NH1-O 3.34Å; N182-A204 PolarHBondContact ND2-O 2.91Å; A200-A204 WeakPolarHBondContact O-CB 3.15Å; A200-A204 PolarHBondContact O-N 3.26Å; G201-A204 PolarHBondContact O-N 3.01Å; A204-V206 HydrophobicContact CB-CB 4.38Å; A204-V206 HydrophobicContact CB-CG2 3.84Å; A204-V206 PolarHBondContact O-N 2.78Å |
| 205 | L | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 68% | 0.681 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 39.8 | -170.2 | -54.8 | 178.6 | 0 | 0 | 0 | 112.4 | N182 G201 I203 | N182-L205 PolarHBondContact ND2-O 3.38Å; G201-L205 WeakPolarHBondContact O-CA 3.29Å; G201-L205 PolarHBondContact O-N 3Å; I203-L205 VanDerWaalsContact C-N 3.31Å; I203-L205 PolarHBondContact O-N 3.28Å |
| 206 | V | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | trans | -105.9 | 137.2 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | L157 R161 N182 A187 G201 A204 I208 F239 | L157-V206 HydrophobicContact CD1-CG1 4.26Å; R161-V206 HydrophobicContact CG-CG2 4.27Å; N182-V206 WeakPolarHBondContact OD1-CG2 3.45Å; A187-V206 HydrophobicContact CB-CG1 4.26Å; G201-V206 PolarHBondContact O-N 3.16Å; A204-V206 HydrophobicContact CB-CB 4.38Å; A204-V206 HydrophobicContact CB-CG2 3.84Å; A204-V206 PolarHBondContact O-N 2.78Å; V206-I208 HydrophobicContact CB-CD1 4.46Å; V206-I208 HydrophobicContact CG1-CD1 3.98Å; V206-I208 PolarHBondContact O-N 3.03Å; V206-F239 HydrophobicContact CG1-CE1 3.58Å; V206-F239 HydrophobicContact CG1-CZ 3.68Å; V206-F239 HydrophobicContact CG2-CZ 4.29Å | ||
| 207 | K | 98.8 | Very high | 98.5 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120.2 | 171.2 | -63.6 | 176.2 | -179.5 | 64.6 | 0 | 109.5 | S183 V186 A187 L236 | S183-K207 PolarHBondContact O-NZ 2.79Å; V186-K207 WeakPolarHBondContact CA-O 3.49Å; V186-K207 HydrophobicContact CB-CB 4.45Å; V186-K207 HydrophobicContact CG2-CB 4.33Å; A187-K207 PolarHBondContact N-O 3.41Å; K207-L236 HydrophobicContact CD-CD1 4.48Å; K207-L236 HydrophobicContact CD-CD2 4.23Å |
| 208 | I | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 66.3 Ų | 66.3 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.1 | 170.6 | -48.5 | -57.9 | 0 | 0 | 0 | 108.2 | L157 A187 V197 V206 F210 | L157-I208 HydrophobicContact CD1-CD1 4.41Å; A187-I208 HydrophobicContact CB-CD1 3.79Å; A187-I208 CarbonylContact O-C 3.6Å; A187-I208 WeakPolarHBondContact O-CA 3.48Å; V197-I208 HydrophobicContact CG1-CG2 4.17Å; V206-I208 HydrophobicContact CB-CD1 4.46Å; V206-I208 HydrophobicContact CG1-CD1 3.98Å; V206-I208 PolarHBondContact O-N 3.03Å; I208-F210 HydrophobicContact CB-CE2 4.32Å; I208-F210 HydrophobicContact CB-CZ 4.35Å; I208-F210 HydrophobicContact CG2-CD1 4.42Å; I208-F210 HydrophobicContact CG2-CD2 4.46Å; I208-F210 HydrophobicContact CG2-CE1 3.92Å; I208-F210 HydrophobicContact CG2-CE2 3.95Å; I208-F210 HydrophobicContact CG2-CZ 3.64Å |
| 209 | R | 98.8 | Very high | 98.5 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 25% | 0.253 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 112 | 172.5 | -173.5 | 178.3 | 176.5 | 179.3 | -2.5 | 109.2 | V186 A187 Y188 A189 L211 A227 E230 D231 | V186-R209 HydrophobicContact CG2-CB 4.15Å; A187-R209 PolarHBondContact O-N 3.46Å; Y188-R209 WeakPolarHBondContact CA-O 3.27Å; Y188-R209 HydrophobicContact CD1-CB 3.94Å; Y188-R209 HydrophobicContact CD1-CG 4.47Å; Y188-R209 HydrophobicContact CE1-CB 4.18Å; A189-R209 PolarHBondContact N-O 3.08Å; R209-L211 HydrophobicContact CG-CD2 3.93Å; R209-A227 PolarHBondContact NH1-O 2.96Å; R209-E230 IonicContact CZ-OE2 3.3Å; R209-E230 IonicContact NH1-OE2 3.29Å; R209-E230 PolarHBondContact NH1-OE2 3.04Å; R209-E230 VanDerWaalsContact NH1-OE2 3.11Å; R209-E230 IonicContact NH2-OE2 2.81Å; R209-E230 PolarHBondContact NH2-OE2 2.96Å; R209-D231 WeakPolarHBondContact CD-OD2 3.32Å; R209-D231 IonicContact CZ-OD2 3.35Å; R209-D231 IonicContact NE-OD2 3.33Å; R209-D231 VanDerWaalsContact NH1-CG 3.33Å; R209-D231 IonicContact NH1-OD1 3.11Å; R209-D231 PolarHBondContact NH1-OD1 3.28Å; R209-D231 IonicContact NH1-OD2 2.68Å; R209-D231 PolarHBondContact NH1-OD2 3.42Å |
| 210 | F | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 59 Ų | 59 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129 | 173.8 | -65.1 | -72.4 | 0 | 0 | 0 | 110.3 | A189 S190 D191 A193 V197 E198 I208 | A189-F210 HydrophobicContact CB-CD1 4.06Å; A189-F210 HydrophobicContact CB-CE1 4.04Å; A189-F210 CarbonylContact O-C 3.55Å; A189-F210 WeakPolarHBondContact O-CA 3.36Å; S190-F210 WeakPolarHBondContact O-CD1 3.42Å; D191-F210 HydrophobicContact CB-CB 4.16Å; A193-F210 HydrophobicContact CB-CE1 4.4Å; V197-F210 HydrophobicContact CB-CE1 4.43Å; V197-F210 HydrophobicContact CG1-CE1 4.32Å; E198-F210 HydrophobicContact CB-CE2 4.1Å; E198-F210 HydrophobicContact CB-CZ 3.7Å; E198-F210 HydrophobicContact CG-CE2 4.19Å; E198-F210 HydrophobicContact CG-CZ 4.3Å; I208-F210 HydrophobicContact CB-CE2 4.32Å; I208-F210 HydrophobicContact CB-CZ 4.35Å; I208-F210 HydrophobicContact CG2-CD1 4.42Å; I208-F210 HydrophobicContact CG2-CD2 4.46Å; I208-F210 HydrophobicContact CG2-CE1 3.92Å; I208-F210 HydrophobicContact CG2-CE2 3.95Å; I208-F210 HydrophobicContact CG2-CZ 3.64Å |
| 211 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.6 | -172 | -59.9 | -175.4 | 0 | 0 | 0 | 110.8 | Y188 A189 D191 R209 L219 T223 L224 A227 | Y188-L211 HydrophobicContact CD1-CD1 4.03Å; Y188-L211 HydrophobicContact CD1-CD2 4.23Å; Y188-L211 HydrophobicContact CD1-CG 4.29Å; Y188-L211 HydrophobicContact CG-CD1 4.3Å; A189-L211 PolarHBondContact O-N 2.87Å; D191-L211 PolarHBondContact N-O 2.87Å; R209-L211 HydrophobicContact CG-CD2 3.93Å; L211-L219 HydrophobicContact CB-CD1 3.6Å; L211-L219 HydrophobicContact CD1-CD1 4.19Å; L211-T223 HydrophobicContact CB-CG2 4.01Å; L211-L224 HydrophobicContact CD1-CB 4.39Å; L211-L224 HydrophobicContact CD1-CD1 4Å; L211-A227 HydrophobicContact CD1-CB 4.01Å; L211-A227 HydrophobicContact CD2-CB 3.52Å; L211-A227 HydrophobicContact CG-CB 4.44Å |
| 212 | P | 98.3 | Very high | 98.4 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | trans | -68.3 | 132.5 | -179.9 | 28.2 | -34.2 | 0 | 0 | 0 | 110.6 | T223 | P212-T223 HydrophobicContact CG-CG2 3.98Å; P212-T223 WeakPolarHBondContact O-CG2 3.32Å | ||
| 213 | P | 98 | Very high | 98.4 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | trans | -78.2 | 175.8 | 173.6 | 35.3 | -39.3 | 0 | 0 | 0 | 111.5 | D191 Q192 L217 S218 | D191-P213 VanDerWaalsContact CG-CD 3.41Å; D191-P213 WeakPolarHBondContact OD1-CD 3.38Å; D191-P213 WeakPolarHBondContact OD2-CD 3.46Å; Q192-P213 HydrophobicContact CG-CG 3.97Å; P213-L217 HydrophobicContact CG-CD2 4.19Å; P213-S218 CarbonylContact C-O 3.59Å; P213-S218 WeakPolarHBondContact CA-O 3.31Å; P213-S218 WeakPolarHBondContact CB-O 3.29Å | ||
| 214 | D | 98.1 | Very high | 98.5 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | trans | -76 | -175 | 167.8 | 73 | 4.8 | 0 | 0 | 0 | 112.9 | K216 L217 S218 R220 | D214-K216 PolarHBondContact O-N 3.1Å; D214-K216 WeakPolarHBondContact OD1-CA 3.48Å; D214-K216 WeakPolarHBondContact OD1-CB 3.46Å; D214-K216 PolarHBondContact OD1-N 2.89Å; D214-L217 WeakPolarHBondContact O-CA 3.04Å; D214-L217 PolarHBondContact O-N 2.95Å; D214-L217 PolarHBondContact OD1-N 3.1Å; D214-S218 PolarHBondContact N-O 2.85Å; D214-S218 WeakPolarHBondContact OD1-CB 3.22Å; D214-S218 PolarHBondContact OD1-N 2.72Å; D214-R220 HydrophobicContact CB-CG 3.83Å; D214-R220 WeakPolarHBondContact OD2-CD 3.27Å; D214-R220 IonicContact OD2-CZ 3.23Å; D214-R220 IonicContact OD2-NE 2.9Å; D214-R220 IonicContact OD2-NH1 2.7Å; D214-R220 PolarHBondContact OD2-NH1 2.82Å | ||
| 215 | E | 96.6 | Very high | 98.5 | Very high | 197 Ų | 197 | 58.9 Ų | 58.9 | 92% | 0.921 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.1 | 178.7 | -59.5 | 179.7 | -179.6 | 0 | 0 | 113.8 | L217 | E215-L217 VanDerWaalsContact C-N 3.25Š|
| 216 | K | 96.7 | Very high | 98.5 | Very high | 153 Ų | 153 | 57.2 Ų | 57.2 | 67% | 0.665 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 8.2 | 173.3 | -63.1 | -172.6 | 176.3 | -168.9 | 0 | 112.1 | D214 S218 | D214-K216 PolarHBondContact O-N 3.1Å; D214-K216 WeakPolarHBondContact OD1-CA 3.48Å; D214-K216 WeakPolarHBondContact OD1-CB 3.46Å; D214-K216 PolarHBondContact OD1-N 2.89Å; K216-S218 PolarHBondContact O-N 3.26Å |
| 217 | L | 98.3 | Very high | 98.5 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 61.8 | 28.9 | -178.8 | -54.2 | 168.2 | 0 | 0 | 0 | 111.8 | Q192 P213 D214 E215 V250 A252 I440 | Q192-L217 HydrophobicContact CG-CB 4.28Å; P213-L217 HydrophobicContact CG-CD2 4.19Å; D214-L217 WeakPolarHBondContact O-CA 3.04Å; D214-L217 PolarHBondContact O-N 2.95Å; D214-L217 PolarHBondContact OD1-N 3.1Å; E215-L217 VanDerWaalsContact C-N 3.25Å; L217-V250 HydrophobicContact CB-CG2 4.26Å; L217-V250 HydrophobicContact CD1-CB 4.35Å; L217-V250 HydrophobicContact CD1-CG1 4.07Å; L217-V250 HydrophobicContact CD1-CG2 3.59Å; L217-A252 HydrophobicContact CB-CB 3.96Å; L217-A252 VanDerWaalsContact O-CB 3.28Å; L217-A252 WeakPolarHBondContact O-CB 3.28Å; L217-I440 HydrophobicContact CD1-CD1 4.3Å; L217-I440 HydrophobicContact CD1-CG1 4.26Å; L217-I440 HydrophobicContact CD1-CG2 3.91Å; L217-I440 HydrophobicContact CD2-CG2 4.19Å |
| 218 | S | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | trans | -102.9 | 131.5 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | P213 D214 K216 F253 D254 K255 | P213-S218 CarbonylContact C-O 3.59Å; P213-S218 WeakPolarHBondContact CA-O 3.31Å; P213-S218 WeakPolarHBondContact CB-O 3.29Å; D214-S218 PolarHBondContact N-O 2.85Å; D214-S218 WeakPolarHBondContact OD1-CB 3.22Å; D214-S218 PolarHBondContact OD1-N 2.72Å; K216-S218 PolarHBondContact O-N 3.26Å; S218-F253 VanDerWaalsContact CB-O 3.24Å; S218-F253 WeakPolarHBondContact CB-O 3.31Å; S218-F253 PolarHBondContact OG-O 3.37Å; S218-D254 WeakPolarHBondContact OG-CA 3.22Å; S218-K255 PolarHBondContact OG-N 2.82Å | ||
| 219 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -70.2 | 133.6 | 169.4 | -175.6 | 62.9 | 0 | 0 | 0 | 110.8 | L211 T223 L241 D254 K255 L259 | L211-L219 HydrophobicContact CB-CD1 3.6Å; L211-L219 HydrophobicContact CD1-CD1 4.19Å; L219-T223 HydrophobicContact CD1-CG2 4.28Å; L219-L241 HydrophobicContact CD2-CD1 3.83Å; L219-D254 HydrophobicContact CB-CB 4.1Å; L219-D254 VanDerWaalsContact CB-CG 3.5Å; L219-D254 VanDerWaalsContact CB-OD1 3.22Å; L219-D254 WeakPolarHBondContact CB-OD1 3.5Å; L219-D254 PolarHBondContact N-OD1 3.41Å; L219-K255 PolarHBondContact O-N 3.04Å; L219-L259 HydrophobicContact CB-CD1 4.46Å; L219-L259 HydrophobicContact CD2-CD1 4.43Å; L219-L259 HydrophobicContact CD2-CD2 4.27Å; L219-L259 HydrophobicContact CG-CD1 4.42Å; L219-L259 HydrophobicContact CG-CD2 4.11Å | ||
| 220 | R | 98.9 | Very high | 98.5 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | trans | -116.2 | 154.9 | -173.5 | -54.3 | -55.8 | -66.2 | -82.5 | -6.2 | 112.2 | D214 E222 T223 L224 E258 | D214-R220 HydrophobicContact CB-CG 3.83Å; D214-R220 WeakPolarHBondContact OD2-CD 3.27Å; D214-R220 IonicContact OD2-CZ 3.23Å; D214-R220 IonicContact OD2-NE 2.9Å; D214-R220 IonicContact OD2-NH1 2.7Å; D214-R220 PolarHBondContact OD2-NH1 2.82Å; R220-E222 PolarHBondContact O-N 3.05Å; R220-T223 PolarHBondContact O-N 2.84Å; R220-L224 PolarHBondContact O-N 3.36Å; R220-E258 IonicContact CZ-OE1 3.79Å; R220-E258 IonicContact CZ-OE2 2.64Å; R220-E258 IonicContact NE-OE1 2.63Å; R220-E258 PolarHBondContact NE-OE1 3.01Å; R220-E258 IonicContact NE-OE2 3.15Å; R220-E258 PolarHBondContact NE-OE2 3.29Å; R220-E258 IonicContact NH2-OE1 3.8Å; R220-E258 PolarHBondContact NH2-OE1 2.87Å; R220-E258 IonicContact NH2-OE2 2.77Å | ||
| 221 | G | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T223 L224 K225 E258 I262 | G221-T223 VanDerWaalsContact C-N 3.35Å; G221-T223 PolarHBondContact O-N 3.07Å; G221-L224 PolarHBondContact O-N 3.43Å; G221-K225 WeakPolarHBondContact O-CB 3.43Å; G221-K225 PolarHBondContact O-N 2.75Å; G221-E258 PolarHBondContact N-OE2 2.86Å; G221-E258 VanDerWaalsContact N-OE2 3.13Å; G221-I262 VanDerWaalsContact CA-CD1 3.41Å; G221-I262 WeakPolarHBondContact O-CD1 3.29Å |
| 222 | E | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 56.7 Ų | 56.7 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | -179.4 | -175.5 | 56.6 | -153 | 0 | 0 | 112.1 | R220 L224 K225 Q226 | R220-E222 PolarHBondContact O-N 3.05Å; E222-L224 VanDerWaalsContact C-N 3.33Å; E222-L224 PolarHBondContact O-N 3.5Å; E222-K225 PolarHBondContact O-N 2.92Å; E222-Q226 WeakPolarHBondContact O-CG 3.47Å; E222-Q226 PolarHBondContact O-N 2.86Å; E222-Q226 PolarHBondContact OE1-NE2 3.26Å |
| 223 | T | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 22% | 0.221 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.5 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | L211 P212 L219 R220 G221 A227 | L211-T223 HydrophobicContact CB-CG2 4.01Å; P212-T223 HydrophobicContact CG-CG2 3.98Å; P212-T223 WeakPolarHBondContact O-CG2 3.32Å; L219-T223 HydrophobicContact CD1-CG2 4.28Å; R220-T223 PolarHBondContact O-N 2.84Å; G221-T223 VanDerWaalsContact C-N 3.35Å; G221-T223 PolarHBondContact O-N 3.07Å; T223-A227 PolarHBondContact O-N 2.85Å; T223-A227 VanDerWaalsContact O-N 3.15Å |
| 224 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -47 | 177 | 176.2 | 62.2 | 0 | 0 | 0 | 111.4 | Y188 L211 R220 G221 E222 Q226 A227 I228 L241 L259 I262 | Y188-L224 HydrophobicContact CD2-CD1 3.9Å; Y188-L224 HydrophobicContact CG-CD1 3.9Å; L211-L224 HydrophobicContact CD1-CB 4.39Å; L211-L224 HydrophobicContact CD1-CD1 4Å; R220-L224 PolarHBondContact O-N 3.36Å; G221-L224 PolarHBondContact O-N 3.43Å; E222-L224 VanDerWaalsContact C-N 3.33Å; E222-L224 PolarHBondContact O-N 3.5Å; L224-Q226 VanDerWaalsContact C-N 3.33Å; L224-Q226 PolarHBondContact O-N 3.48Å; L224-A227 PolarHBondContact O-N 2.91Å; L224-I228 HydrophobicContact CD1-CD1 3.89Å; L224-I228 HydrophobicContact CD1-CG1 4.11Å; L224-I228 HydrophobicContact CD2-CD1 4.44Å; L224-I228 HydrophobicContact CG-CD1 3.78Å; L224-I228 HydrophobicContact CG-CG1 4.4Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 2.97Å; L224-L241 HydrophobicContact CD1-CD1 4.2Å; L224-L241 HydrophobicContact CD2-CD2 3.68Å; L224-L259 HydrophobicContact CB-CD2 4.02Å; L224-L259 HydrophobicContact CD2-CD2 3.77Å; L224-I262 HydrophobicContact CD2-CB 4.34Å; L224-I262 HydrophobicContact CD2-CG2 3.91Å; L224-I262 HydrophobicContact CG-CG2 4.21Å |
| 225 | K | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 70.1 Ų | 70.1 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | -179 | -170.8 | 172.7 | -173.8 | 167 | 0 | 111.8 | G221 E222 I228 Q229 I262 | G221-K225 WeakPolarHBondContact O-CB 3.43Å; G221-K225 PolarHBondContact O-N 2.75Å; E222-K225 PolarHBondContact O-N 2.92Å; K225-I228 PolarHBondContact O-N 3.09Å; K225-Q229 WeakPolarHBondContact O-CG 3.48Å; K225-Q229 PolarHBondContact O-N 2.79Å; K225-Q229 VanDerWaalsContact O-N 3.13Å; K225-I262 HydrophobicContact CB-CD1 4.4Å |
| 226 | Q | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.4 | -70.3 | 176 | 7.5 | 0 | 0 | 111.7 | E222 L224 I228 Q229 E230 | E222-Q226 WeakPolarHBondContact O-CG 3.47Å; E222-Q226 PolarHBondContact O-N 2.86Å; E222-Q226 PolarHBondContact OE1-NE2 3.26Å; L224-Q226 VanDerWaalsContact C-N 3.33Å; L224-Q226 PolarHBondContact O-N 3.48Å; Q226-I228 PolarHBondContact O-N 3.03Å; Q226-Q229 PolarHBondContact O-N 2.86Å; Q226-E230 WeakPolarHBondContact O-CG 3.22Å; Q226-E230 PolarHBondContact O-N 2.91Å |
| 227 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y188 R209 L211 T223 L224 Q229 E230 D231 | Y188-A227 HydrophobicContact CD1-CB 4.23Å; Y188-A227 HydrophobicContact CE1-CB 3.91Å; R209-A227 PolarHBondContact NH1-O 2.96Å; L211-A227 HydrophobicContact CD1-CB 4.01Å; L211-A227 HydrophobicContact CD2-CB 3.52Å; L211-A227 HydrophobicContact CG-CB 4.44Å; T223-A227 PolarHBondContact O-N 2.85Å; T223-A227 VanDerWaalsContact O-N 3.15Å; L224-A227 PolarHBondContact O-N 2.91Å; A227-Q229 PolarHBondContact O-N 3.48Å; A227-E230 PolarHBondContact O-N 3.28Å; A227-D231 WeakPolarHBondContact O-CB 3.1Å; A227-D231 PolarHBondContact O-N 3.2Å |
| 228 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 175.6 | -72.1 | 171.1 | 0 | 0 | 0 | 111 | Y188 L224 K225 Q226 D231 R232 P238 I262 E266 L268 | Y188-I228 HydrophobicContact CE2-CG1 3.93Å; L224-I228 HydrophobicContact CD1-CD1 3.89Å; L224-I228 HydrophobicContact CD1-CG1 4.11Å; L224-I228 HydrophobicContact CD2-CD1 4.44Å; L224-I228 HydrophobicContact CG-CD1 3.78Å; L224-I228 HydrophobicContact CG-CG1 4.4Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 2.97Å; K225-I228 PolarHBondContact O-N 3.09Å; Q226-I228 PolarHBondContact O-N 3.03Å; I228-D231 PolarHBondContact O-N 3.08Å; I228-R232 WeakPolarHBondContact O-CB 3.06Å; I228-R232 WeakPolarHBondContact O-CG 3.48Å; I228-R232 PolarHBondContact O-N 2.99Å; I228-P238 HydrophobicContact CB-CG 4.44Å; I228-P238 HydrophobicContact CG1-CB 4.33Å; I228-P238 HydrophobicContact CG1-CG 4.45Å; I228-P238 HydrophobicContact CG2-CB 4.4Å; I228-P238 HydrophobicContact CG2-CG 3.99Å; I228-I262 HydrophobicContact CD1-CG2 3.97Å; I228-E266 HydrophobicContact CD1-CB 4.29Å; I228-E266 HydrophobicContact CD1-CG 4.1Å; I228-E266 HydrophobicContact CG2-CG 4.37Å; I228-L268 HydrophobicContact CD1-CD1 4.34Å; I228-L268 HydrophobicContact CD1-CD2 3.74Å; I228-L268 HydrophobicContact CG1-CD2 4.38Å |
| 229 | Q | 98.7 | Very high | 98.7 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | -179.7 | -70.4 | 174.5 | 5.4 | 0 | 0 | 112.7 | K225 Q226 A227 R233 | K225-Q229 WeakPolarHBondContact O-CG 3.48Å; K225-Q229 PolarHBondContact O-N 2.79Å; K225-Q229 VanDerWaalsContact O-N 3.13Å; Q226-Q229 PolarHBondContact O-N 2.86Å; A227-Q229 PolarHBondContact O-N 3.48Å; Q229-R233 WeakPolarHBondContact O-CG 3.32Å; Q229-R233 PolarHBondContact O-N 3.42Å; Q229-R233 VanDerWaalsContact O-N 3.15Å; Q229-R233 PolarHBondContact O-NE 3.43Å |
| 230 | E | 98.8 | Very high | 98.7 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.3 | -74.5 | 176.1 | 176.4 | 0 | 0 | 112.5 | R209 Q226 A227 R233 R234 | R209-E230 IonicContact CZ-OE2 3.3Å; R209-E230 IonicContact NH1-OE2 3.29Å; R209-E230 PolarHBondContact NH1-OE2 3.04Å; R209-E230 VanDerWaalsContact NH1-OE2 3.11Å; R209-E230 IonicContact NH2-OE2 2.81Å; R209-E230 PolarHBondContact NH2-OE2 2.96Å; Q226-E230 WeakPolarHBondContact O-CG 3.22Å; Q226-E230 PolarHBondContact O-N 2.91Å; A227-E230 PolarHBondContact O-N 3.28Å; E230-R233 WeakPolarHBondContact O-CB 3.44Å; E230-R233 PolarHBondContact O-N 2.83Å; E230-R234 WeakPolarHBondContact O-CG 3.28Å; E230-R234 PolarHBondContact O-N 2.98Å |
| 231 | D | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.9 | -32.7 | -176.1 | -72 | -36.8 | 0 | 0 | 0 | 111.5 | V186 Y188 R209 A227 I228 R233 R234 G235 L236 | V186-D231 HydrophobicContact CG1-CB 4.08Å; Y188-D231 WeakPolarHBondContact CE1-OD2 3.33Å; Y188-D231 PolarHBondContact OH-OD2 3.35Å; R209-D231 WeakPolarHBondContact CD-OD2 3.32Å; R209-D231 IonicContact CZ-OD2 3.35Å; R209-D231 IonicContact NE-OD2 3.33Å; R209-D231 VanDerWaalsContact NH1-CG 3.33Å; R209-D231 IonicContact NH1-OD1 3.11Å; R209-D231 PolarHBondContact NH1-OD1 3.28Å; R209-D231 IonicContact NH1-OD2 2.68Å; R209-D231 PolarHBondContact NH1-OD2 3.42Å; A227-D231 WeakPolarHBondContact O-CB 3.1Å; A227-D231 PolarHBondContact O-N 3.2Å; I228-D231 PolarHBondContact O-N 3.08Å; D231-R233 PolarHBondContact O-N 3.42Å; D231-R234 CarbonylContact O-C 3.55Å; D231-R234 WeakPolarHBondContact O-CA 3.43Å; D231-R234 WeakPolarHBondContact O-CB 3.44Å; D231-R234 PolarHBondContact O-N 2.92Å; D231-R234 VanDerWaalsContact O-N 3.09Å; D231-R234 IonicContact OD1-NH1 3.22Å; D231-R234 PolarHBondContact OD1-NH1 3.19Å; D231-G235 PolarHBondContact O-N 2.85Å; D231-L236 HydrophobicContact CB-CB 4.1Å; D231-L236 HydrophobicContact CB-CD1 4.09Å; D231-L236 WeakPolarHBondContact O-CB 3.32Å; D231-L236 PolarHBondContact O-N 2.98Å |
| 232 | R | 98.5 | Very high | 98.7 | Very high | 120 Ų | 120 | 52.7 Ų | 52.7 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 167.1 | -78 | -177.8 | 173.3 | 166.1 | 3 | 112.9 | I228 R234 G235 P238 E266 | I228-R232 WeakPolarHBondContact O-CB 3.06Å; I228-R232 WeakPolarHBondContact O-CG 3.48Å; I228-R232 PolarHBondContact O-N 2.99Å; R232-R234 PolarHBondContact O-N 3.35Å; R232-G235 PolarHBondContact O-N 2.84Å; R232-P238 HydrophobicContact CG-CG 4Å; R232-E266 IonicContact CZ-OE2 2.66Å; R232-E266 IonicContact NH1-OE1 2.86Å; R232-E266 IonicContact NH1-OE2 3.75Å; R232-E266 PolarHBondContact NH1-OE2 2.68Å; R232-E266 IonicContact NH2-OE2 3.67Å; R232-E266 PolarHBondContact NH2-OE2 3.16Å |
| 233 | R | 98.5 | Very high | 98.7 | Very high | 195 Ų | 195 | 47.4 Ų | 47.4 | 74% | 0.736 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62 | -22.9 | 174.8 | -76.6 | -175.4 | -68 | 178.2 | -0.2 | 112.9 | Q229 E230 D231 G235 | Q229-R233 WeakPolarHBondContact O-CG 3.32Å; Q229-R233 PolarHBondContact O-N 3.42Å; Q229-R233 VanDerWaalsContact O-N 3.15Å; Q229-R233 PolarHBondContact O-NE 3.43Å; E230-R233 WeakPolarHBondContact O-CB 3.44Å; E230-R233 PolarHBondContact O-N 2.83Å; D231-R233 PolarHBondContact O-N 3.42Å; R233-G235 VanDerWaalsContact C-N 3.34Å |
| 234 | R | 98.3 | Very high | 98.8 | Very high | 169 Ų | 169 | 45.9 Ų | 45.9 | 64% | 0.638 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | 2.8 | 174.2 | -65.4 | 170.5 | 179.1 | 167 | -1.9 | 113.4 | E230 D231 R232 L236 | E230-R234 WeakPolarHBondContact O-CG 3.28Å; E230-R234 PolarHBondContact O-N 2.98Å; D231-R234 CarbonylContact O-C 3.55Å; D231-R234 WeakPolarHBondContact O-CA 3.43Å; D231-R234 WeakPolarHBondContact O-CB 3.44Å; D231-R234 PolarHBondContact O-N 2.92Å; D231-R234 VanDerWaalsContact O-N 3.09Å; D231-R234 IonicContact OD1-NH1 3.22Å; D231-R234 PolarHBondContact OD1-NH1 3.19Å; R232-R234 PolarHBondContact O-N 3.35Å; R234-L236 VanDerWaalsContact C-N 3.3Å; R234-L236 HydrophobicContact CB-CG 4.46Å |
| 235 | G | 98.1 | Very high | 98.8 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 15.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D231 R232 R233 | D231-G235 PolarHBondContact O-N 2.85Å; R232-G235 PolarHBondContact O-N 2.84Å; R233-G235 VanDerWaalsContact C-N 3.34Å |
| 236 | L | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.199 | 20% | 0.2 | C | C | . | . | trans | -84.7 | 157.8 | 172 | -59.7 | 176.8 | 0 | 0 | 0 | 110.7 | T184 V186 K207 D231 R234 P238 | T184-L236 CarbonylContact O-C 3.51Å; T184-L236 VanDerWaalsContact O-CA 3.29Å; T184-L236 WeakPolarHBondContact O-CA 3.33Å; T184-L236 WeakPolarHBondContact O-CD2 3.38Å; V186-L236 HydrophobicContact CB-CB 4.46Å; V186-L236 HydrophobicContact CB-CD1 4.35Å; V186-L236 HydrophobicContact CG1-CB 3.92Å; V186-L236 HydrophobicContact CG1-CD1 4.43Å; K207-L236 HydrophobicContact CD-CD1 4.48Å; K207-L236 HydrophobicContact CD-CD2 4.23Å; D231-L236 HydrophobicContact CB-CB 4.1Å; D231-L236 HydrophobicContact CB-CD1 4.09Å; D231-L236 WeakPolarHBondContact O-CB 3.32Å; D231-L236 PolarHBondContact O-N 2.98Å; R234-L236 VanDerWaalsContact C-N 3.3Å; R234-L236 HydrophobicContact CB-CG 4.46Å; L236-P238 WeakPolarHBondContact O-CD 3.48Å | ||
| 237 | V | 98.8 | Very high | 98.7 | Very high | 34 Ų | 34 | 38 Ų | 38 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 100.9 | -179.2 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | K164 L168 T184 L185 V186 F239 | K164-V237 HydrophobicContact CG-CG1 4.27Å; L168-V237 HydrophobicContact CD1-CG1 4.48Å; T184-V237 PolarHBondContact O-N 3.36Å; L185-V237 WeakPolarHBondContact CA-O 3.37Å; L185-V237 HydrophobicContact CD2-CB 3.85Å; L185-V237 HydrophobicContact CD2-CG1 3.96Å; V186-V237 PolarHBondContact N-O 3.35Å; V237-F239 PolarHBondContact O-N 3.31Å |
| 238 | P | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 5% | 0.045 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 130.7 | 166.6 | -27.4 | 36.4 | 0 | 0 | 0 | 111.1 | V186 Y188 I228 R232 L236 L268 | V186-P238 HydrophobicContact CG1-CG 4.42Å; V186-P238 WeakPolarHBondContact O-CA 3.42Å; Y188-P238 HydrophobicContact CE2-CB 3.91Å; Y188-P238 WeakPolarHBondContact OH-CG 3.08Å; I228-P238 HydrophobicContact CB-CG 4.44Å; I228-P238 HydrophobicContact CG1-CB 4.33Å; I228-P238 HydrophobicContact CG1-CG 4.45Å; I228-P238 HydrophobicContact CG2-CB 4.4Å; I228-P238 HydrophobicContact CG2-CG 3.99Å; R232-P238 HydrophobicContact CG-CG 4Å; L236-P238 WeakPolarHBondContact O-CD 3.48Å; P238-L268 HydrophobicContact CB-CD1 4.13Å; P238-L268 HydrophobicContact CB-CG 4.48Å |
| 239 | F | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | -16.4 | 179.1 | 82.2 | -80.4 | 0 | 0 | 0 | 116.2 | L157 A160 R161 K164 L185 V186 A187 V206 V237 L268 W269 | L157-F239 HydrophobicContact CD1-CE2 4.13Å; L157-F239 HydrophobicContact CD1-CZ 3.7Å; A160-F239 HydrophobicContact CB-CD2 3.84Å; A160-F239 HydrophobicContact CB-CE2 3.77Å; R161-F239 HydrophobicContact CB-CE2 3.87Å; R161-F239 HydrophobicContact CB-CZ 4.21Å; K164-F239 HydrophobicContact CB-CB 4.05Å; K164-F239 HydrophobicContact CD-CB 4.5Å; K164-F239 HydrophobicContact CG-CB 3.82Å; L185-F239 HydrophobicContact CB-CD1 3.69Å; L185-F239 HydrophobicContact CB-CE1 3.7Å; L185-F239 HydrophobicContact CD1-CD1 4.33Å; L185-F239 HydrophobicContact CD1-CE1 4.37Å; L185-F239 HydrophobicContact CD2-CD1 4.43Å; L185-F239 HydrophobicContact CG-CD1 4.36Å; V186-F239 VanDerWaalsContact O-CD1 3.22Å; V186-F239 WeakPolarHBondContact O-CD1 3.49Å; V186-F239 PolarHBondContact O-N 3.17Å; V186-F239 VanDerWaalsContact O-N 3.16Å; A187-F239 HydrophobicContact CB-CD1 4.47Å; A187-F239 HydrophobicContact CB-CE1 3.76Å; A187-F239 HydrophobicContact CB-CZ 3.99Å; V206-F239 HydrophobicContact CG1-CE1 3.58Å; V206-F239 HydrophobicContact CG1-CZ 3.68Å; V206-F239 HydrophobicContact CG2-CZ 4.29Å; V237-F239 PolarHBondContact O-N 3.31Å; F239-L268 WeakPolarHBondContact O-CA 3.36Å; F239-W269 PolarHBondContact O-N 3.07Å |
| 240 | M | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 143.7 | -178.2 | -177.1 | -175.9 | -178.3 | 0 | 0 | 112.1 | A156 L157 A160 A187 Y188 W269 H271 | A156-M240 HydrophobicContact CB-CE 3.97Å; L157-M240 VanDerWaalsContact CA-SD 3.56Å; L157-M240 HydrophobicContact CB-CE 4.36Å; L157-M240 HydrophobicContact CB-SD 3.97Å; L157-M240 HydrophobicContact CD1-SD 3.42Å; L157-M240 WeakPolarHBondContact CD1-SD 3.21Å; L157-M240 HydrophobicContact CG-SD 4.3Å; A160-M240 HydrophobicContact CB-CB 4.25Å; A160-M240 HydrophobicContact CB-CG 4.33Å; A160-M240 HydrophobicContact CB-SD 4.08Å; A187-M240 CarbonylContact C-O 3.53Å; A187-M240 VanDerWaalsContact CA-O 3.28Å; A187-M240 WeakPolarHBondContact CA-O 3.49Å; A187-M240 HydrophobicContact CB-CB 3.94Å; Y188-M240 WeakPolarHBondContact CD2-O 3.49Å; Y188-M240 PolarHBondContact N-O 2.87Å; M240-W269 CarbonylContact C-O 3.53Å; M240-W269 VanDerWaalsContact CA-O 3.28Å; M240-W269 WeakPolarHBondContact CA-O 3.3Å; M240-W269 HydrophobicContact CB-CB 4.28Å; M240-W269 HydrophobicContact CG-CB 4.16Å; M240-W269 VanDerWaalsContact CG-O 3.27Å; M240-W269 WeakPolarHBondContact CG-O 3.4Å; M240-H271 HydrophobicContact CE-CB 3.38Å |
| 241 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.3 | 163.6 | 176.2 | 68 | 0 | 0 | 0 | 109.5 | Y188 L219 L224 L259 W269 L270 H271 | Y188-L241 WeakPolarHBondContact O-CA 3.42Å; L219-L241 HydrophobicContact CD2-CD1 3.83Å; L224-L241 HydrophobicContact CD1-CD1 4.2Å; L224-L241 HydrophobicContact CD2-CD2 3.68Å; L241-L259 HydrophobicContact CD2-CB 3.86Å; L241-L259 HydrophobicContact CD2-CD1 4.16Å; L241-L259 HydrophobicContact CD2-CD2 4Å; L241-L259 HydrophobicContact CD2-CG 4.22Å; L241-W269 PolarHBondContact N-O 3.16Å; L241-L270 HydrophobicContact CB-CD1 4.35Å; L241-L270 HydrophobicContact CD2-CD1 3.89Å; L241-L270 HydrophobicContact CG-CD1 4.21Å; L241-H271 PolarHBondContact O-N 3.35Å |
| 242 | C | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 106.3 | 162.6 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | Y188 A189 V197 H271 | Y188-C242 PolarHBondContact O-N 2.98Å; A189-C242 HydrophobicContact CB-CB 4.15Å; V197-C242 HydrophobicContact CG1-CB 4.15Å; V197-C242 HydrophobicContact CG2-CB 4.33Å; C242-H271 CarbonylContact C-O 3.07Å; C242-H271 WeakPolarHBondContact CA-O 3.44Å |
| 243 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.6 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | D254 L256 H271 V272 D273 | S243-D254 VanDerWaalsContact OG-CB 3.27Å; S243-D254 WeakPolarHBondContact OG-CB 3.33Å; S243-L256 WeakPolarHBondContact OG-CD2 3.41Å; S243-H271 PolarHBondContact N-O 3.27Å; S243-V272 CarbonylContact O-C 3.45Å; S243-V272 WeakPolarHBondContact O-CA 3.4Å; S243-D273 PolarHBondContact O-N 3.12Å |
| 244 | T | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124 | -174.5 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | T247 D254 D273 | T244-T247 HydrophobicContact CG2-CG2 3.78Å; T244-D254 PolarHBondContact N-OD2 3.47Å; T244-D254 PolarHBondContact O-N 3.36Å; T244-D273 CarbonylContact C-O 3.5Å; T244-D273 WeakPolarHBondContact CA-O 3.46Å |
| 245 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -106.4 | 101.5 | 171.2 | -58 | -174.8 | 0 | 0 | 0 | 109.1 | F253 L256 V272 D273 A274 A277 Y281 L290 | L245-F253 HydrophobicContact CB-CD1 3.86Å; L245-F253 HydrophobicContact CB-CE1 4.26Å; L245-F253 HydrophobicContact CD2-CB 4.4Å; L245-F253 HydrophobicContact CD2-CD1 4.18Å; L245-L256 HydrophobicContact CD1-CD1 3.83Å; L245-L256 HydrophobicContact CD2-CD1 4.09Å; L245-L256 HydrophobicContact CD2-CG 4.13Å; L245-L256 HydrophobicContact CG-CD1 4.33Å; L245-V272 HydrophobicContact CD1-CG1 3.61Å; L245-V272 HydrophobicContact CG-CG1 3.78Å; L245-D273 PolarHBondContact N-O 2.7Å; L245-A274 HydrophobicContact CB-CB 4.11Å; L245-A274 WeakPolarHBondContact O-CA 3.4Å; L245-A277 VanDerWaalsContact O-CB 3.32Å; L245-A277 WeakPolarHBondContact O-CB 3.26Å; L245-Y281 WeakPolarHBondContact CB-OH 3.46Å; L245-Y281 HydrophobicContact CD1-CE2 4.31Å; L245-Y281 VanDerWaalsContact CD1-OH 3.29Å; L245-Y281 WeakPolarHBondContact CD1-OH 3.36Å; L245-L290 HydrophobicContact CD1-CD2 3.85Å |
| 246 | G | 98.6 | Very high | 98.8 | Very high | 6 Ų | 6 | 12.6 Ų | 12.6 | 6% | 0.062 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 89.8 | 67.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A252 | G246-A252 CarbonylContact C-O 3.54Å; G246-A252 WeakPolarHBondContact CA-O 3.49Å; G246-A252 PolarHBondContact N-O 2.63Å |
| 247 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -59.3 | 152.3 | 179.4 | 63.9 | 0 | 0 | 0 | 0 | 112.7 | Y80 Q192 T244 G249 C251 A252 | Y80-T247 PolarHBondContact OH-O 3.32Å; Q192-T247 HydrophobicContact CB-CG2 3.71Å; T244-T247 HydrophobicContact CG2-CG2 3.78Å; T247-G249 PolarHBondContact O-N 3.32Å; T247-C251 WeakPolarHBondContact O-CA 3.45Å; T247-C251 PolarHBondContact O-N 3.42Å; T247-A252 HydrophobicContact CG2-CB 4.29Å; T247-A252 PolarHBondContact N-O 3Å; T247-A252 PolarHBondContact OG1-N 3.41Å | ||
| 248 | T | 98.4 | Very high | 98.8 | Very high | 47 Ų | 47 | 13.8 Ų | 13.8 | 29% | 0.288 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -40.4 | -170.3 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | H194 R447 | H194-T248 PolarHBondContact CD2-OG1 3.13Å; T248-R447 VanDerWaalsContact O-CZ 3.25Å; T248-R447 PolarHBondContact O-NE 3.4Å; T248-R447 PolarHBondContact O-NH2 3.19Å |
| 249 | G | 98.1 | Very high | 98.8 | Very high | 13 Ų | 13 | 13.4 Ų | 13.4 | 13% | 0.134 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -56.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T247 R447 | T247-G249 PolarHBondContact O-N 3.32Å; G249-R447 WeakPolarHBondContact O-CD 3.35Å; G249-R447 PolarHBondContact O-NE 3.48Å |
| 250 | V | 98.5 | Very high | 98.8 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.036 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 2 | -166.3 | -60.3 | 0 | 0 | 0 | 0 | 114.8 | L217 A252 A402 V410 I440 I445 | L217-V250 HydrophobicContact CB-CG2 4.26Å; L217-V250 HydrophobicContact CD1-CB 4.35Å; L217-V250 HydrophobicContact CD1-CG1 4.07Å; L217-V250 HydrophobicContact CD1-CG2 3.59Å; V250-A252 HydrophobicContact CG2-CB 3.83Å; V250-A402 HydrophobicContact CB-CB 3.83Å; V250-A402 HydrophobicContact CG1-CB 3.89Å; V250-A402 HydrophobicContact CG2-CB 4.47Å; V250-V410 HydrophobicContact CG1-CG1 4.3Å; V250-V410 HydrophobicContact CG1-CG2 4.15Å; V250-I440 HydrophobicContact CG1-CD1 3.57Å; V250-I440 HydrophobicContact CG1-CG1 3.7Å; V250-I445 HydrophobicContact CG1-CD1 3.99Å |
| 251 | C | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | 61 | 40.5 | -173.8 | -161.1 | 0 | 0 | 0 | 0 | 113.4 | Y80 T247 F253 L408 | Y80-C251 WeakPolarHBondContact OH-CB 3.32Å; T247-C251 WeakPolarHBondContact O-CA 3.45Å; T247-C251 PolarHBondContact O-N 3.42Å; C251-F253 WeakPolarHBondContact O-CD2 3.36Å; C251-F253 WeakPolarHBondContact O-CE2 3.42Å; C251-L408 HydrophobicContact CB-CB 4.25Å; C251-L408 HydrophobicContact CB-CD2 3.91Å | ||
| 252 | A | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | trans | -76.5 | 165.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L217 G246 T247 V250 | L217-A252 HydrophobicContact CB-CB 3.96Å; L217-A252 VanDerWaalsContact O-CB 3.28Å; L217-A252 WeakPolarHBondContact O-CB 3.28Å; G246-A252 CarbonylContact C-O 3.54Å; G246-A252 WeakPolarHBondContact CA-O 3.49Å; G246-A252 PolarHBondContact N-O 2.63Å; T247-A252 HydrophobicContact CG2-CB 4.29Å; T247-A252 PolarHBondContact N-O 3Å; T247-A252 PolarHBondContact OG1-N 3.41Å; V250-A252 HydrophobicContact CG2-CB 3.83Å | ||
| 253 | F | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 16.4 Ų | 16.4 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -130.7 | 119.2 | -175.4 | -64.9 | -96.8 | 0 | 0 | 0 | 110 | S218 L245 C251 A277 W288 S289 H405 L406 | S218-F253 VanDerWaalsContact CB-O 3.24Å; S218-F253 WeakPolarHBondContact CB-O 3.31Å; S218-F253 PolarHBondContact OG-O 3.37Å; L245-F253 HydrophobicContact CB-CD1 3.86Å; L245-F253 HydrophobicContact CB-CE1 4.26Å; L245-F253 HydrophobicContact CD2-CB 4.4Å; L245-F253 HydrophobicContact CD2-CD1 4.18Å; C251-F253 WeakPolarHBondContact O-CD2 3.36Å; C251-F253 WeakPolarHBondContact O-CE2 3.42Å; F253-A277 HydrophobicContact CE1-CB 3.64Å; F253-A277 HydrophobicContact CZ-CB 3.94Å; F253-W288 HydrophobicContact CB-CH2 4.23Å; F253-W288 HydrophobicContact CB-CZ3 4.3Å; F253-W288 HydrophobicContact CD1-CH2 4.39Å; F253-W288 AromaticContact CD2-CH2 3.52Å; F253-W288 HydrophobicContact CD2-CH2 3.52Å; F253-W288 HydrophobicContact CD2-CZ2 4.19Å; F253-W288 HydrophobicContact CD2-CZ3 4.4Å; F253-W288 AromaticContact CE2-CH2 3.92Å; F253-W288 HydrophobicContact CE2-CH2 3.92Å; F253-W288 HydrophobicContact CE2-CZ2 4.13Å; F253-W288 AromaticContact CG-CH2 3.79Å; F253-W288 HydrophobicContact CG-CH2 3.79Å; F253-W288 HydrophobicContact CG-CZ3 4.28Å; F253-W288 HydrophobicContact CZ-CZ2 4.48Å; F253-S289 VanDerWaalsContact CD1-CB 3.48Å; F253-S289 WeakPolarHBondContact CD1-OG 3.25Å; F253-H405 AromaticContact CD2-CD2 3.75Å; F253-H405 HydrophobicContact CE2-CB 3.71Å; F253-H405 AromaticContact CE2-CD2 3.68Å; F253-H405 AromaticContact CE2-CG 3.88Å; F253-H405 HydrophobicContact CZ-CB 4.48Å; F253-L406 HydrophobicContact CZ-CD1 3.95Å; F253-L406 HydrophobicContact CZ-CG 4.31Å |
| 254 | D | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | trans | -64.6 | 144.5 | 173.3 | -69.3 | -19.5 | 0 | 0 | 0 | 110.9 | S218 L219 S243 T244 L256 L259 | S218-D254 WeakPolarHBondContact OG-CA 3.22Å; L219-D254 HydrophobicContact CB-CB 4.1Å; L219-D254 VanDerWaalsContact CB-CG 3.5Å; L219-D254 VanDerWaalsContact CB-OD1 3.22Å; L219-D254 WeakPolarHBondContact CB-OD1 3.5Å; L219-D254 PolarHBondContact N-OD1 3.41Å; S243-D254 VanDerWaalsContact OG-CB 3.27Å; S243-D254 WeakPolarHBondContact OG-CB 3.33Å; T244-D254 PolarHBondContact N-OD2 3.47Å; T244-D254 PolarHBondContact O-N 3.36Å; D254-L256 PolarHBondContact O-N 2.8Å; D254-L259 HydrophobicContact CB-CD1 3.9Å | ||
| 255 | K | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 33% | 0.326 | 15% | 0.153 | S | C | . | . | trans | -84.8 | 81.6 | -170 | -169.7 | 59.1 | 174 | 160.1 | 0 | 111.8 | S218 L219 S257 E258 L259 E291 | S218-K255 PolarHBondContact OG-N 2.82Å; L219-K255 PolarHBondContact O-N 3.04Å; K255-S257 VanDerWaalsContact C-N 3.25Å; K255-S257 WeakPolarHBondContact CE-OG 3.17Å; K255-S257 PolarHBondContact NZ-OG 2.84Å; K255-S257 VanDerWaalsContact NZ-OG 3.1Å; K255-S257 PolarHBondContact O-N 3.2Å; K255-E258 HydrophobicContact CG-CB 4.19Å; K255-E258 HydrophobicContact CG-CG 3.78Å; K255-E258 PolarHBondContact O-N 3.38Å; K255-L259 WeakPolarHBondContact O-CG 3.35Å; K255-L259 PolarHBondContact O-N 3.41Å; K255-E291 IonicContact NZ-OE2 2.62Å; K255-E291 PolarHBondContact NZ-OE2 2.79Å | ||
| 256 | L | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54 | -35.3 | -178.1 | -73.9 | -176.7 | 0 | 0 | 0 | 114.6 | S243 L245 D254 E258 L259 G260 L270 V272 E291 | S243-L256 WeakPolarHBondContact OG-CD2 3.41Å; L245-L256 HydrophobicContact CD1-CD1 3.83Å; L245-L256 HydrophobicContact CD2-CD1 4.09Å; L245-L256 HydrophobicContact CD2-CG 4.13Å; L245-L256 HydrophobicContact CG-CD1 4.33Å; D254-L256 PolarHBondContact O-N 2.8Å; L256-E258 PolarHBondContact O-N 3.27Å; L256-L259 PolarHBondContact O-N 2.96Å; L256-G260 PolarHBondContact O-N 3.17Å; L256-L270 HydrophobicContact CD2-CD1 4.33Å; L256-L270 HydrophobicContact CD2-CD2 4.23Å; L256-V272 HydrophobicContact CD1-CG1 4.39Å; L256-V272 HydrophobicContact CD1-CG2 4.18Å; L256-V272 HydrophobicContact CD2-CG2 4.01Å; L256-E291 CarbonylContact C-O 3.5Å; L256-E291 VanDerWaalsContact CB-O 3.25Å; L256-E291 WeakPolarHBondContact CB-O 3.1Å |
| 257 | S | 98.7 | Very high | 98.7 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.8 | -17.2 | 177.7 | 41.3 | 0 | 0 | 0 | 0 | 114.4 | K255 E291 | K255-S257 VanDerWaalsContact C-N 3.25Å; K255-S257 WeakPolarHBondContact CE-OG 3.17Å; K255-S257 PolarHBondContact NZ-OG 2.84Å; K255-S257 VanDerWaalsContact NZ-OG 3.1Å; K255-S257 PolarHBondContact O-N 3.2Å; S257-E291 WeakPolarHBondContact CB-OE2 3.44Å; S257-E291 PolarHBondContact N-O 3.12Å; S257-E291 PolarHBondContact OG-OE2 2.88Å |
| 258 | E | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -96.7 | -40.7 | 170.4 | -67.2 | 172.3 | -166.3 | 0 | 0 | 112 | R220 G221 K255 L256 I262 | R220-E258 IonicContact CZ-OE1 3.79Å; R220-E258 IonicContact CZ-OE2 2.64Å; R220-E258 IonicContact NE-OE1 2.63Å; R220-E258 PolarHBondContact NE-OE1 3.01Å; R220-E258 IonicContact NE-OE2 3.15Å; R220-E258 PolarHBondContact NE-OE2 3.29Å; R220-E258 IonicContact NH2-OE1 3.8Å; R220-E258 PolarHBondContact NH2-OE1 2.87Å; R220-E258 IonicContact NH2-OE2 2.77Å; G221-E258 PolarHBondContact N-OE2 2.86Å; G221-E258 VanDerWaalsContact N-OE2 3.13Å; K255-E258 HydrophobicContact CG-CB 4.19Å; K255-E258 HydrophobicContact CG-CG 3.78Å; K255-E258 PolarHBondContact O-N 3.38Å; L256-E258 PolarHBondContact O-N 3.27Å; E258-I262 WeakPolarHBondContact O-CD1 3.46Å; E258-I262 WeakPolarHBondContact O-CG1 3.23Å |
| 259 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74 | -37.5 | -174.6 | -62.1 | 166.8 | 0 | 0 | 0 | 112.6 | L219 L224 L241 D254 K255 L256 I262 C263 | L219-L259 HydrophobicContact CB-CD1 4.46Å; L219-L259 HydrophobicContact CD2-CD1 4.43Å; L219-L259 HydrophobicContact CD2-CD2 4.27Å; L219-L259 HydrophobicContact CG-CD1 4.42Å; L219-L259 HydrophobicContact CG-CD2 4.11Å; L224-L259 HydrophobicContact CB-CD2 4.02Å; L224-L259 HydrophobicContact CD2-CD2 3.77Å; L241-L259 HydrophobicContact CD2-CB 3.86Å; L241-L259 HydrophobicContact CD2-CD1 4.16Å; L241-L259 HydrophobicContact CD2-CD2 4Å; L241-L259 HydrophobicContact CD2-CG 4.22Å; D254-L259 HydrophobicContact CB-CD1 3.9Å; K255-L259 WeakPolarHBondContact O-CG 3.35Å; K255-L259 PolarHBondContact O-N 3.41Å; L256-L259 PolarHBondContact O-N 2.96Å; L259-I262 PolarHBondContact O-N 3.11Å; L259-C263 PolarHBondContact O-N 3.14Å; L259-C263 PolarHBondContact O-SG 3.08Å; L259-C263 VanDerWaalsContact O-SG 3.4Å |
| 260 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -55.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L256 I262 C263 E264 F295 | L256-G260 PolarHBondContact O-N 3.17Å; G260-I262 VanDerWaalsContact C-N 3.26Å; G260-I262 PolarHBondContact O-N 3.28Å; G260-C263 PolarHBondContact O-N 3.29Å; G260-C263 VanDerWaalsContact O-N 3.14Å; G260-E264 PolarHBondContact O-N 3Å; G260-F295 VanDerWaalsContact C-CG 3.47Å |
| 261 | P | 98.8 | Very high | 98.8 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 34% | 0.344 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -56.9 | -38 | 177.3 | -26.7 | 34.8 | 0 | 0 | 0 | 113.4 | E264 E265 F295 | P261-E264 PolarHBondContact O-N 2.88Å; P261-E265 WeakPolarHBondContact O-CB 3.36Å; P261-E265 PolarHBondContact O-N 3.02Å; P261-F295 HydrophobicContact CB-CZ 4.39Å; P261-F295 HydrophobicContact CG-CE1 4.43Å; P261-F295 HydrophobicContact CG-CE2 3.84Å; P261-F295 HydrophobicContact CG-CZ 3.78Å |
| 262 | I | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | 177.4 | -62.9 | 169.6 | 0 | 0 | 0 | 110.5 | G221 L224 K225 I228 E258 L259 G260 E264 E265 E266 | G221-I262 VanDerWaalsContact CA-CD1 3.41Å; G221-I262 WeakPolarHBondContact O-CD1 3.29Å; L224-I262 HydrophobicContact CD2-CB 4.34Å; L224-I262 HydrophobicContact CD2-CG2 3.91Å; L224-I262 HydrophobicContact CG-CG2 4.21Å; K225-I262 HydrophobicContact CB-CD1 4.4Å; I228-I262 HydrophobicContact CD1-CG2 3.97Å; E258-I262 WeakPolarHBondContact O-CD1 3.46Å; E258-I262 WeakPolarHBondContact O-CG1 3.23Å; L259-I262 PolarHBondContact O-N 3.11Å; G260-I262 VanDerWaalsContact C-N 3.26Å; G260-I262 PolarHBondContact O-N 3.28Å; I262-E264 VanDerWaalsContact C-N 3.28Å; I262-E264 PolarHBondContact O-N 3.04Å; I262-E265 PolarHBondContact O-N 3.19Å; I262-E266 HydrophobicContact CG2-CG 4.04Å; I262-E266 WeakPolarHBondContact O-CB 3.49Å; I262-E266 VanDerWaalsContact O-CG 3.27Å; I262-E266 WeakPolarHBondContact O-CG 3.37Å; I262-E266 PolarHBondContact O-N 2.87Å |
| 263 | C | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 176.8 | -72.7 | 0 | 0 | 0 | 0 | 112 | L259 G260 G267 L268 L270 | L259-C263 PolarHBondContact O-N 3.14Å; L259-C263 PolarHBondContact O-SG 3.08Å; L259-C263 VanDerWaalsContact O-SG 3.4Å; G260-C263 PolarHBondContact O-N 3.29Å; G260-C263 VanDerWaalsContact O-N 3.14Å; C263-G267 CarbonylContact O-C 3.44Å; C263-G267 WeakPolarHBondContact O-CA 3.25Å; C263-G267 PolarHBondContact O-N 2.95Å; C263-L268 HydrophobicContact CB-CB 4.1Å; C263-L268 PolarHBondContact O-N 2.81Å; C263-L270 HydrophobicContact CB-CB 4.1Å |
| 264 | E | 98.6 | Very high | 98.8 | Very high | 124 Ų | 124 | 29.7 Ų | 29.7 | 58% | 0.579 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -67.5 | -49.7 | 176.3 | -174.5 | 172.5 | -107.3 | 0 | 0 | 112.2 | G260 P261 I262 E266 G267 F295 | G260-E264 PolarHBondContact O-N 3Å; P261-E264 PolarHBondContact O-N 2.88Å; I262-E264 VanDerWaalsContact C-N 3.28Å; I262-E264 PolarHBondContact O-N 3.04Å; E264-E266 VanDerWaalsContact C-N 3.28Å; E264-E266 PolarHBondContact O-N 3.03Å; E264-G267 PolarHBondContact O-N 3.01Å; E264-F295 HydrophobicContact CB-CD1 3.92Å; E264-F295 HydrophobicContact CB-CE1 4.28Å; E264-F295 WeakPolarHBondContact OE2-CE1 3.28Å |
| 265 | E | 98.4 | Very high | 98.8 | Very high | 146 Ų | 146 | 30 Ų | 30 | 68% | 0.682 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -58.1 | -41.6 | 178.4 | -177.7 | -179 | -179.7 | 0 | 0 | 111.8 | P261 I262 | P261-E265 WeakPolarHBondContact O-CB 3.36Å; P261-E265 PolarHBondContact O-N 3.02Å; I262-E265 PolarHBondContact O-N 3.19Å |
| 266 | E | 98.3 | Very high | 98.8 | Very high | 31 Ų | 31 | 26.4 Ų | 26.4 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -91.9 | -3.5 | -173.8 | -61.2 | -73.4 | -161 | 0 | 0 | 113.3 | I228 R232 I262 E264 L268 | I228-E266 HydrophobicContact CD1-CB 4.29Å; I228-E266 HydrophobicContact CD1-CG 4.1Å; I228-E266 HydrophobicContact CG2-CG 4.37Å; R232-E266 IonicContact CZ-OE2 2.66Å; R232-E266 IonicContact NH1-OE1 2.86Å; R232-E266 IonicContact NH1-OE2 3.75Å; R232-E266 PolarHBondContact NH1-OE2 2.68Å; R232-E266 IonicContact NH2-OE2 3.67Å; R232-E266 PolarHBondContact NH2-OE2 3.16Å; I262-E266 HydrophobicContact CG2-CG 4.04Å; I262-E266 WeakPolarHBondContact O-CB 3.49Å; I262-E266 VanDerWaalsContact O-CG 3.27Å; I262-E266 WeakPolarHBondContact O-CG 3.37Å; I262-E266 PolarHBondContact O-N 2.87Å; E264-E266 VanDerWaalsContact C-N 3.28Å; E264-E266 PolarHBondContact O-N 3.03Å; E266-L268 HydrophobicContact CB-CD1 3.36Å; E266-L268 VanDerWaalsContact O-CD1 3.28Å; E266-L268 WeakPolarHBondContact O-CD1 3.39Å |
| 267 | G | 98.1 | Very high | 98.8 | Very high | 48 Ų | 48 | 26.3 Ų | 26.3 | 50% | 0.495 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C263 E264 | C263-G267 CarbonylContact O-C 3.44Å; C263-G267 WeakPolarHBondContact O-CA 3.25Å; C263-G267 PolarHBondContact O-N 2.95Å; E264-G267 PolarHBondContact O-N 3.01Å |
| 268 | L | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | trans | -90.3 | 143.8 | 177 | -74.5 | 58.4 | 0 | 0 | 0 | 110.5 | Y188 I228 P238 F239 C263 E266 L270 | Y188-L268 HydrophobicContact CD2-CD2 4.17Å; Y188-L268 HydrophobicContact CE2-CD2 4.28Å; I228-L268 HydrophobicContact CD1-CD1 4.34Å; I228-L268 HydrophobicContact CD1-CD2 3.74Å; I228-L268 HydrophobicContact CG1-CD2 4.38Å; P238-L268 HydrophobicContact CB-CD1 4.13Å; P238-L268 HydrophobicContact CB-CG 4.48Å; F239-L268 WeakPolarHBondContact O-CA 3.36Å; C263-L268 HydrophobicContact CB-CB 4.1Å; C263-L268 PolarHBondContact O-N 2.81Å; E266-L268 HydrophobicContact CB-CD1 3.36Å; E266-L268 VanDerWaalsContact O-CD1 3.28Å; E266-L268 WeakPolarHBondContact O-CD1 3.39Å; L268-L270 PolarHBondContact O-N 2.88Å | ||
| 269 | W | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 5% | 0.045 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 115.3 | 164 | -172.9 | -64.5 | 0 | 0 | 0 | 110.2 | A159 A160 F239 M240 L241 Q297 S298 K323 | A159-W269 HydrophobicContact CB-CH2 3.88Å; A159-W269 HydrophobicContact CB-CZ2 4.49Å; A159-W269 HydrophobicContact CB-CZ3 4.14Å; A160-W269 HydrophobicContact CB-CB 3.52Å; A160-W269 HydrophobicContact CB-CD2 3.7Å; A160-W269 HydrophobicContact CB-CE3 3.75Å; A160-W269 HydrophobicContact CB-CG 3.61Å; F239-W269 PolarHBondContact O-N 3.07Å; M240-W269 CarbonylContact C-O 3.53Å; M240-W269 VanDerWaalsContact CA-O 3.28Å; M240-W269 WeakPolarHBondContact CA-O 3.3Å; M240-W269 HydrophobicContact CB-CB 4.28Å; M240-W269 HydrophobicContact CG-CB 4.16Å; M240-W269 VanDerWaalsContact CG-O 3.27Å; M240-W269 WeakPolarHBondContact CG-O 3.4Å; L241-W269 PolarHBondContact N-O 3.16Å; W269-Q297 HydrophobicContact CD2-CB 3.67Å; W269-Q297 HydrophobicContact CD2-CG 4.27Å; W269-Q297 HydrophobicContact CE3-CB 4.34Å; W269-Q297 HydrophobicContact CG-CB 3.85Å; W269-Q297 HydrophobicContact CG-CG 4.36Å; W269-Q297 HydrophobicContact CZ2-CB 4.06Å; W269-S298 PolarHBondContact NE1-OG 3.38Å; W269-K323 HydrophobicContact CE3-CD 4.37Å; W269-K323 HydrophobicContact CH2-CB 4.1Å; W269-K323 HydrophobicContact CH2-CD 4.38Å; W269-K323 HydrophobicContact CZ3-CB 3.9Å; W269-K323 HydrophobicContact CZ3-CD 3.61Å; W269-K323 HydrophobicContact CZ3-CG 4.4Å |
| 270 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 109.5 | 170.3 | 177.7 | 58.1 | 0 | 0 | 0 | 110.4 | L241 L256 C263 L268 V272 F295 A296 Q297 S298 | L241-L270 HydrophobicContact CB-CD1 4.35Å; L241-L270 HydrophobicContact CD2-CD1 3.89Å; L241-L270 HydrophobicContact CG-CD1 4.21Å; L256-L270 HydrophobicContact CD2-CD1 4.33Å; L256-L270 HydrophobicContact CD2-CD2 4.23Å; C263-L270 HydrophobicContact CB-CB 4.1Å; L268-L270 PolarHBondContact O-N 2.88Å; L270-V272 HydrophobicContact CG-CG2 4.31Å; L270-F295 HydrophobicContact CD2-CB 4.03Å; L270-A296 HydrophobicContact CD2-CB 4.42Å; L270-A296 HydrophobicContact CG-CB 4.37Å; L270-Q297 PolarHBondContact O-N 2.89Å; L270-S298 PolarHBondContact O-N 3.43Å |
| 271 | H | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.6 | 168.5 | 176.8 | 69.7 | 0 | 0 | 0 | 109.9 | T153 A156 M240 L241 C242 S243 S298 V300 F316 | T153-H271 WeakPolarHBondContact CA-NE2 3.35Å; T153-H271 PolarHBondContact OG1-NE2 3.08Å; T153-H271 VanDerWaalsContact OG1-NE2 3.07Å; A156-H271 HydrophobicContact CB-CB 4.22Å; A156-H271 WeakPolarHBondContact CB-ND1 3.11Å; M240-H271 HydrophobicContact CE-CB 3.38Å; L241-H271 PolarHBondContact O-N 3.35Å; C242-H271 CarbonylContact C-O 3.07Å; C242-H271 WeakPolarHBondContact CA-O 3.44Å; S243-H271 PolarHBondContact N-O 3.27Å; H271-S298 WeakPolarHBondContact CA-OG 3.41Å; H271-S298 WeakPolarHBondContact CB-OG 3.32Å; H271-S298 PolarHBondContact ND1-OG 2.85Å; H271-V300 VanDerWaalsContact CE1-CG1 3.48Å; H271-V300 WeakPolarHBondContact CE1-CG1 3.41Å; H271-F316 AromaticContact CE1-CE2 3.99Å |
| 272 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.6 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | S243 L245 L256 L270 I293 A296 S298 F299 V300 | S243-V272 CarbonylContact O-C 3.45Å; S243-V272 WeakPolarHBondContact O-CA 3.4Å; L245-V272 HydrophobicContact CD1-CG1 3.61Å; L245-V272 HydrophobicContact CG-CG1 3.78Å; L256-V272 HydrophobicContact CD1-CG1 4.39Å; L256-V272 HydrophobicContact CD1-CG2 4.18Å; L256-V272 HydrophobicContact CD2-CG2 4.01Å; L270-V272 HydrophobicContact CG-CG2 4.31Å; V272-I293 HydrophobicContact CG2-CD1 4.12Å; V272-A296 HydrophobicContact CG2-CB 3.83Å; V272-S298 PolarHBondContact N-O 2.83Å; V272-F299 HydrophobicContact CB-CD2 3.83Å; V272-F299 HydrophobicContact CG1-CD2 3.68Å; V272-F299 HydrophobicContact CG1-CE2 3.93Å; V272-F299 WeakPolarHBondContact O-CA 3.46Å; V272-V300 PolarHBondContact O-N 3.4Å |
| 273 | D | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 109.1 | 169.3 | -179.4 | -5.5 | 0 | 0 | 0 | 109.5 | V149 S243 T244 L245 A275 V300 | V149-D273 WeakPolarHBondContact CG1-OD1 3.48Å; V149-D273 WeakPolarHBondContact CG1-OD2 3.39Å; S243-D273 PolarHBondContact O-N 3.12Å; T244-D273 CarbonylContact C-O 3.5Å; T244-D273 WeakPolarHBondContact CA-O 3.46Å; L245-D273 PolarHBondContact N-O 2.7Å; D273-A275 VanDerWaalsContact OD1-CB 3.27Å; D273-A275 WeakPolarHBondContact OD1-CB 3.46Å; D273-A275 PolarHBondContact OD1-N 3.22Å; D273-V300 HydrophobicContact CB-CG1 4.34Å |
| 274 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -116.7 | 31.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L245 Y276 A277 G278 Y281 F299 V300 F301 | L245-A274 HydrophobicContact CB-CB 4.11Å; L245-A274 WeakPolarHBondContact O-CA 3.4Å; A274-Y276 VanDerWaalsContact C-N 3.27Å; A274-Y276 CarbonylContact O-C 3.59Å; A274-Y276 PolarHBondContact O-N 3.07Å; A274-A277 PolarHBondContact O-N 3.35Å; A274-G278 WeakPolarHBondContact O-CA 3.43Å; A274-G278 PolarHBondContact O-N 3.06Å; A274-Y281 HydrophobicContact CB-CE2 4.25Å; A274-F299 HydrophobicContact CB-CE1 4.44Å; A274-F299 HydrophobicContact CB-CE2 3.58Å; A274-F299 HydrophobicContact CB-CZ 3.5Å; A274-F299 VanDerWaalsContact CB-CZ 3.5Å; A274-V300 CarbonylContact C-O 3.4Å; A274-V300 WeakPolarHBondContact CA-O 3.43Å; A274-V300 PolarHBondContact N-O 3.38Å; A274-F301 HydrophobicContact CB-CB 4.22Å; A274-F301 VanDerWaalsContact O-CB 3.29Å; A274-F301 WeakPolarHBondContact O-CB 3.19Å | ||
| 275 | A | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 7% | 0.066 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -39.1 | -51.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V149 D273 N302 K305 | V149-A275 HydrophobicContact CB-CB 4.18Å; V149-A275 HydrophobicContact CG1-CB 4.16Å; V149-A275 HydrophobicContact CG2-CB 3.57Å; D273-A275 VanDerWaalsContact OD1-CB 3.27Å; D273-A275 WeakPolarHBondContact OD1-CB 3.46Å; D273-A275 PolarHBondContact OD1-N 3.22Å; A275-N302 WeakPolarHBondContact O-CB 3.37Å; A275-N302 PolarHBondContact O-N 3.12Å; A275-K305 HydrophobicContact CB-CD 4.31Å; A275-K305 VanDerWaalsContact CB-NZ 3.28Å; A275-K305 WeakPolarHBondContact O-CD 3.24Å |
| 276 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -52.6 | 178.1 | 169 | -111.8 | 0 | 0 | 0 | 112.8 | Y80 P81 A274 G278 W306 L406 G407 | Y80-Y276 AromaticContact CD1-CD1 3.63Å; Y80-Y276 HydrophobicContact CD1-CD1 3.63Å; Y80-Y276 AromaticContact CD1-CD2 3.34Å; Y80-Y276 HydrophobicContact CD1-CD2 3.34Å; Y80-Y276 AromaticContact CD1-CE1 3.9Å; Y80-Y276 HydrophobicContact CD1-CE1 3.9Å; Y80-Y276 AromaticContact CD1-CE2 3.65Å; Y80-Y276 HydrophobicContact CD1-CE2 3.65Å; Y80-Y276 AromaticContact CD1-CG 3.32Å; Y80-Y276 HydrophobicContact CD1-CG 3.32Å; Y80-Y276 AromaticContact CD1-CZ 3.91Å; Y80-Y276 HydrophobicContact CD2-CG 4.05Å; Y80-Y276 AromaticContact CE1-CD1 3.1Å; Y80-Y276 HydrophobicContact CE1-CD1 3.1Å; Y80-Y276 AromaticContact CE1-CD2 3.8Å; Y80-Y276 HydrophobicContact CE1-CD2 3.8Å; Y80-Y276 AromaticContact CE1-CE1 3.36Å; Y80-Y276 HydrophobicContact CE1-CE1 3.36Å; Y80-Y276 HydrophobicContact CE1-CE2 4.03Å; Y80-Y276 AromaticContact CE1-CG 3.33Å; Y80-Y276 HydrophobicContact CE1-CG 3.33Å; Y80-Y276 AromaticContact CE1-CZ 3.82Å; Y80-Y276 HydrophobicContact CE2-CD1 4.16Å; Y80-Y276 AromaticContact CE2-CG 3.99Å; Y80-Y276 HydrophobicContact CE2-CG 3.99Å; Y80-Y276 HydrophobicContact CG-CD1 4.36Å; Y80-Y276 AromaticContact CG-CD2 3.77Å; Y80-Y276 HydrophobicContact CG-CD2 3.77Å; Y80-Y276 HydrophobicContact CG-CE2 4.46Å; Y80-Y276 AromaticContact CG-CG 3.7Å; Y80-Y276 HydrophobicContact CG-CG 3.7Å; Y80-Y276 AromaticContact CZ-CD1 3.39Å; Y80-Y276 AromaticContact CZ-CG 3.65Å; P81-Y276 HydrophobicContact CG-CE2 4.09Å; A274-Y276 VanDerWaalsContact C-N 3.27Å; A274-Y276 CarbonylContact O-C 3.59Å; A274-Y276 PolarHBondContact O-N 3.07Å; Y276-G278 PolarHBondContact O-N 3.09Å; Y276-W306 HydrophobicContact CD2-CB 4.34Å; Y276-W306 HydrophobicContact CD2-CE3 4.33Å; Y276-W306 HydrophobicContact CE1-CZ3 4.42Å; Y276-W306 HydrophobicContact CE2-CB 4.19Å; Y276-W306 AromaticContact CE2-CD2 3.66Å; Y276-W306 HydrophobicContact CE2-CD2 3.66Å; Y276-W306 AromaticContact CE2-CE3 3.57Å; Y276-W306 HydrophobicContact CE2-CE3 3.57Å; Y276-W306 AromaticContact CE2-CG 3.96Å; Y276-W306 HydrophobicContact CE2-CG 3.96Å; Y276-W306 HydrophobicContact CE2-CZ3 4.16Å; Y276-W306 AromaticContact CZ-CE3 3.69Å; Y276-W306 AromaticContact CZ-CZ3 3.77Å; Y276-W306 WeakPolarHBondContact OH-CH2 3.37Å; Y276-W306 WeakPolarHBondContact OH-CZ3 3.49Å; Y276-L406 HydrophobicContact CD1-CD1 4.44Å; Y276-L406 HydrophobicContact CE1-CB 4.05Å; Y276-L406 HydrophobicContact CE1-CD1 4.02Å; Y276-G407 VanDerWaalsContact OH-CA 3.25Å; Y276-G407 WeakPolarHBondContact OH-CA 3.24Å; Y276-G407 PolarHBondContact OH-N 3.3Å; Y276-G407 VanDerWaalsContact OH-N 3.12Å |
| 277 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -70.2 | -17.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L245 F253 A274 S279 A280 L406 | L245-A277 VanDerWaalsContact O-CB 3.32Å; L245-A277 WeakPolarHBondContact O-CB 3.26Å; F253-A277 HydrophobicContact CE1-CB 3.64Å; F253-A277 HydrophobicContact CZ-CB 3.94Å; A274-A277 PolarHBondContact O-N 3.35Å; A277-S279 PolarHBondContact O-N 3.22Å; A277-A280 WeakPolarHBondContact O-CA 3.26Å; A277-A280 WeakPolarHBondContact O-CB 3.33Å; A277-A280 PolarHBondContact O-N 3.15Å; A277-L406 HydrophobicContact CB-CD1 3.62Å |
| 278 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -53.9 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L126 A274 Y276 A280 Y281 | L126-G278 WeakPolarHBondContact CD2-O 3.27Å; A274-G278 WeakPolarHBondContact O-CA 3.43Å; A274-G278 PolarHBondContact O-N 3.06Å; Y276-G278 PolarHBondContact O-N 3.09Å; G278-A280 PolarHBondContact O-N 3.41Å; G278-Y281 WeakPolarHBondContact O-CD2 3.25Å; G278-Y281 PolarHBondContact O-N 3.25Å; G278-Y281 VanDerWaalsContact O-N 3.1Å |
| 279 | S | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -61.7 | -26.1 | 175.6 | -61.2 | 0 | 0 | 0 | 0 | 113 | A277 Y281 F282 | A277-S279 PolarHBondContact O-N 3.22Å; S279-Y281 PolarHBondContact O-N 3.1Å; S279-F282 WeakPolarHBondContact O-CD2 3.49Å; S279-F282 WeakPolarHBondContact O-CE2 3.13Å; S279-F282 WeakPolarHBondContact O-CG 3.27Å |
| 280 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -66.8 | -25.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A277 G278 F282 C283 L286 V378 L406 | A277-A280 WeakPolarHBondContact O-CA 3.26Å; A277-A280 WeakPolarHBondContact O-CB 3.33Å; A277-A280 PolarHBondContact O-N 3.15Å; G278-A280 PolarHBondContact O-N 3.41Å; A280-F282 PolarHBondContact O-N 3.32Å; A280-F282 VanDerWaalsContact O-N 3.14Å; A280-C283 WeakPolarHBondContact O-CB 3.49Å; A280-C283 PolarHBondContact O-N 3.01Å; A280-L286 HydrophobicContact CB-CB 4.27Å; A280-L286 HydrophobicContact CB-CD1 3.84Å; A280-V378 HydrophobicContact CB-CG1 4.25Å; A280-L406 HydrophobicContact CB-CD1 3.97Å; A280-L406 HydrophobicContact CB-CD2 3.78Å |
| 281 | Y | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -74.4 | -1.6 | -176.1 | -53.9 | -42.6 | 0 | 0 | 0 | 114.5 | L245 A274 G278 S279 C283 L286 R287 S289 L290 F299 | L245-Y281 WeakPolarHBondContact CB-OH 3.46Å; L245-Y281 HydrophobicContact CD1-CE2 4.31Å; L245-Y281 VanDerWaalsContact CD1-OH 3.29Å; L245-Y281 WeakPolarHBondContact CD1-OH 3.36Å; A274-Y281 HydrophobicContact CB-CE2 4.25Å; G278-Y281 WeakPolarHBondContact O-CD2 3.25Å; G278-Y281 PolarHBondContact O-N 3.25Å; G278-Y281 VanDerWaalsContact O-N 3.1Å; S279-Y281 PolarHBondContact O-N 3.1Å; Y281-C283 PolarHBondContact O-N 3.33Å; Y281-L286 WeakPolarHBondContact CD1-O 3.46Å; Y281-L286 WeakPolarHBondContact CE1-O 3.41Å; Y281-R287 HydrophobicContact CD1-CG 4.22Å; Y281-R287 PolarHBondContact O-NE 2.64Å; Y281-R287 PolarHBondContact O-NH2 3.2Å; Y281-R287 VanDerWaalsContact O-NH2 3.07Å; Y281-S289 WeakPolarHBondContact CE1-OG 3.4Å; Y281-S289 PolarHBondContact OH-OG 2.85Å; Y281-L290 HydrophobicContact CD1-CD1 3.95Å; Y281-L290 HydrophobicContact CD1-CG 4.03Å; Y281-L290 HydrophobicContact CD2-CD1 3.88Å; Y281-L290 HydrophobicContact CD2-CD2 3.93Å; Y281-L290 HydrophobicContact CD2-CG 4.06Å; Y281-L290 HydrophobicContact CE1-CD1 4.36Å; Y281-L290 HydrophobicContact CE1-CD2 4.4Å; Y281-L290 HydrophobicContact CE1-CG 3.92Å; Y281-L290 HydrophobicContact CE2-CD1 4.32Å; Y281-L290 HydrophobicContact CE2-CD2 3.6Å; Y281-L290 HydrophobicContact CE2-CG 3.97Å; Y281-L290 HydrophobicContact CG-CD1 3.7Å; Y281-L290 HydrophobicContact CG-CD2 4.48Å; Y281-L290 HydrophobicContact CG-CG 4.1Å; Y281-F299 HydrophobicContact CD2-CZ 4.34Å; Y281-F299 HydrophobicContact CE2-CE2 4.47Å; Y281-F299 HydrophobicContact CE2-CZ 4.33Å |
| 282 | F | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -60.6 | -29.8 | 160.6 | -57.6 | -37 | 0 | 0 | 0 | 111.8 | L122 A125 L126 S279 A280 P284 F301 M307 L371 L374 Q375 | L122-F282 HydrophobicContact CD1-CE1 3.71Å; L122-F282 HydrophobicContact CD1-CZ 3.92Å; A125-F282 HydrophobicContact CB-CD1 4Å; A125-F282 HydrophobicContact CB-CE1 4.16Å; L126-F282 HydrophobicContact CD2-CD1 3.98Å; L126-F282 HydrophobicContact CD2-CE1 3.55Å; L126-F282 HydrophobicContact CD2-CZ 4.18Å; L126-F282 HydrophobicContact CG-CE1 4.05Å; S279-F282 WeakPolarHBondContact O-CD2 3.49Å; S279-F282 WeakPolarHBondContact O-CE2 3.13Å; S279-F282 WeakPolarHBondContact O-CG 3.27Å; A280-F282 PolarHBondContact O-N 3.32Å; A280-F282 VanDerWaalsContact O-N 3.14Å; F282-P284 WeakPolarHBondContact O-CD 3.4Å; F282-F301 HydrophobicContact CZ-CE2 4.43Å; F282-F301 HydrophobicContact CZ-CZ 4.35Å; F282-M307 HydrophobicContact CE2-CB 4.3Å; F282-M307 HydrophobicContact CE2-CE 4.37Å; F282-M307 HydrophobicContact CE2-CG 3.69Å; F282-M307 HydrophobicContact CE2-SD 4Å; F282-M307 HydrophobicContact CZ-CE 3.82Å; F282-M307 HydrophobicContact CZ-CG 3.86Å; F282-M307 HydrophobicContact CZ-SD 3.5Å; F282-M307 WeakPolarHBondContact CZ-SD 2.99Å; F282-L371 HydrophobicContact CB-CD1 3.9Å; F282-L371 HydrophobicContact CD1-CD1 3.98Å; F282-L371 HydrophobicContact CG-CD1 4.04Å; F282-L374 HydrophobicContact CD2-CB 4.17Å; F282-Q375 HydrophobicContact CB-CG 3.98Å; F282-Q375 WeakPolarHBondContact O-CG 3.33Å; F282-Q375 PolarHBondContact O-NE2 2.62Å |
| 283 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -91.7 | 113.3 | 177.3 | -66.1 | 0 | 0 | 0 | 0 | 110 | A280 Y281 E285 L286 | A280-C283 WeakPolarHBondContact O-CB 3.49Å; A280-C283 PolarHBondContact O-N 3.01Å; Y281-C283 PolarHBondContact O-N 3.33Å; C283-E285 PolarHBondContact O-N 3.2Å; C283-L286 HydrophobicContact CB-CB 4.32Å; C283-L286 HydrophobicContact CB-CD1 3.82Å; C283-L286 HydrophobicContact CB-CG 3.93Å; C283-L286 PolarHBondContact O-N 3.05Å |
| 284 | P | 98.5 | Very high | 98.5 | Very high | 74 Ų | 74 | 31.8 Ų | 31.8 | 48% | 0.481 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -55.4 | -35.7 | -178.5 | -27.5 | 36.5 | 0 | 0 | 0 | 114 | F282 L286 R287 | F282-P284 WeakPolarHBondContact O-CD 3.4Å; P284-L286 PolarHBondContact O-N 3.39Å; P284-L286 VanDerWaalsContact O-N 3.17Å; P284-R287 WeakPolarHBondContact O-CB 3.06Å; P284-R287 PolarHBondContact O-N 3.12Å; P284-R287 VanDerWaalsContact O-N 3.16Å |
| 285 | E | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 34.2 Ų | 34.2 | 46% | 0.458 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -65.6 | -13.8 | 178.5 | 69.5 | -82.6 | -164 | 0 | 0 | 114.2 | C283 R379 | C283-E285 PolarHBondContact O-N 3.2Å; E285-R379 VanDerWaalsContact CD-NH2 3.34Å; E285-R379 IonicContact OE1-CZ 2.87Å; E285-R379 IonicContact OE1-NE 3.27Å; E285-R379 PolarHBondContact OE1-NE 2.86Å; E285-R379 IonicContact OE1-NH2 3.8Å; E285-R379 PolarHBondContact OE1-NH2 3.05Å; E285-R379 IonicContact OE2-NH2 3.19Å; E285-R379 PolarHBondContact OE2-NH2 3.17Å |
| 286 | L | 98.4 | Very high | 98.5 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.131 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -102.1 | 2.6 | 178.4 | -56.7 | -179.8 | 0 | 0 | 0 | 112.9 | A280 Y281 C283 P284 W288 V378 I382 L406 | A280-L286 HydrophobicContact CB-CB 4.27Å; A280-L286 HydrophobicContact CB-CD1 3.84Å; Y281-L286 WeakPolarHBondContact CD1-O 3.46Å; Y281-L286 WeakPolarHBondContact CE1-O 3.41Å; C283-L286 HydrophobicContact CB-CB 4.32Å; C283-L286 HydrophobicContact CB-CD1 3.82Å; C283-L286 HydrophobicContact CB-CG 3.93Å; C283-L286 PolarHBondContact O-N 3.05Å; P284-L286 PolarHBondContact O-N 3.39Å; P284-L286 VanDerWaalsContact O-N 3.17Å; L286-W288 VanDerWaalsContact C-N 3.25Å; L286-W288 PolarHBondContact O-N 2.96Å; L286-V378 HydrophobicContact CD1-CG1 3.83Å; L286-I382 HydrophobicContact CD1-CD1 3.4Å; L286-I382 HydrophobicContact CD2-CD1 4.29Å; L286-L406 HydrophobicContact CD1-CD2 4.16Å |
| 287 | R | 98.5 | Very high | 98.5 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -82.4 | 5.3 | -178.4 | -63.7 | -176.9 | -177.5 | 172.5 | -3.7 | 114.4 | A125 L126 Y281 P284 S289 L290 | A125-R287 PolarHBondContact O-NH2 3.01Å; L126-R287 PolarHBondContact O-NE 3.14Å; Y281-R287 HydrophobicContact CD1-CG 4.22Å; Y281-R287 PolarHBondContact O-NE 2.64Å; Y281-R287 PolarHBondContact O-NH2 3.2Å; Y281-R287 VanDerWaalsContact O-NH2 3.07Å; P284-R287 WeakPolarHBondContact O-CB 3.06Å; P284-R287 PolarHBondContact O-N 3.12Å; P284-R287 VanDerWaalsContact O-N 3.16Å; R287-S289 PolarHBondContact O-N 3.46Å; R287-S289 VanDerWaalsContact O-N 3.13Å; R287-L290 HydrophobicContact CB-CD1 4.24Å; R287-L290 HydrophobicContact CG-CD1 4.15Å; R287-L290 WeakPolarHBondContact O-CB 3.21Å; R287-L290 PolarHBondContact O-N 3.22Å |
| 288 | W | 98 | Very high | 98.5 | Very high | 128 Ų | 128 | 35.8 Ų | 35.8 | 49% | 0.485 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -56.6 | -29.2 | -179.9 | 56.8 | -98.8 | 0 | 0 | 0 | 113.1 | F253 L286 L290 H405 | F253-W288 HydrophobicContact CB-CH2 4.23Å; F253-W288 HydrophobicContact CB-CZ3 4.3Å; F253-W288 HydrophobicContact CD1-CH2 4.39Å; F253-W288 AromaticContact CD2-CH2 3.52Å; F253-W288 HydrophobicContact CD2-CH2 3.52Å; F253-W288 HydrophobicContact CD2-CZ2 4.19Å; F253-W288 HydrophobicContact CD2-CZ3 4.4Å; F253-W288 AromaticContact CE2-CH2 3.92Å; F253-W288 HydrophobicContact CE2-CH2 3.92Å; F253-W288 HydrophobicContact CE2-CZ2 4.13Å; F253-W288 AromaticContact CG-CH2 3.79Å; F253-W288 HydrophobicContact CG-CH2 3.79Å; F253-W288 HydrophobicContact CG-CZ3 4.28Å; F253-W288 HydrophobicContact CZ-CZ2 4.48Å; L286-W288 VanDerWaalsContact C-N 3.25Å; L286-W288 PolarHBondContact O-N 2.96Å; W288-L290 VanDerWaalsContact C-N 3.34Å; W288-H405 HydrophobicContact CZ2-CB 4.4Å |
| 289 | S | 97.3 | Very high | 98.5 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -83.1 | -5.9 | 177.1 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | F253 Y281 R287 E291 | F253-S289 VanDerWaalsContact CD1-CB 3.48Å; F253-S289 WeakPolarHBondContact CD1-OG 3.25Å; Y281-S289 WeakPolarHBondContact CE1-OG 3.4Å; Y281-S289 PolarHBondContact OH-OG 2.85Å; R287-S289 PolarHBondContact O-N 3.46Å; R287-S289 VanDerWaalsContact O-N 3.13Å; S289-E291 VanDerWaalsContact C-N 3.33Å |
| 290 | L | 98.2 | Very high | 98.6 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -85.6 | -3.1 | 172.7 | -69.1 | 179.6 | 0 | 0 | 0 | 113 | L245 Y281 R287 W288 G292 I293 F299 | L245-L290 HydrophobicContact CD1-CD2 3.85Å; Y281-L290 HydrophobicContact CD1-CD1 3.95Å; Y281-L290 HydrophobicContact CD1-CG 4.03Å; Y281-L290 HydrophobicContact CD2-CD1 3.88Å; Y281-L290 HydrophobicContact CD2-CD2 3.93Å; Y281-L290 HydrophobicContact CD2-CG 4.06Å; Y281-L290 HydrophobicContact CE1-CD1 4.36Å; Y281-L290 HydrophobicContact CE1-CD2 4.4Å; Y281-L290 HydrophobicContact CE1-CG 3.92Å; Y281-L290 HydrophobicContact CE2-CD1 4.32Å; Y281-L290 HydrophobicContact CE2-CD2 3.6Å; Y281-L290 HydrophobicContact CE2-CG 3.97Å; Y281-L290 HydrophobicContact CG-CD1 3.7Å; Y281-L290 HydrophobicContact CG-CD2 4.48Å; Y281-L290 HydrophobicContact CG-CG 4.1Å; R287-L290 HydrophobicContact CB-CD1 4.24Å; R287-L290 HydrophobicContact CG-CD1 4.15Å; R287-L290 WeakPolarHBondContact O-CB 3.21Å; R287-L290 PolarHBondContact O-N 3.22Å; W288-L290 VanDerWaalsContact C-N 3.34Å; L290-G292 PolarHBondContact O-N 2.86Å; L290-I293 HydrophobicContact CB-CB 4.4Å; L290-I293 HydrophobicContact CB-CG2 4.36Å; L290-I293 HydrophobicContact CD2-CB 4.47Å; L290-I293 HydrophobicContact CD2-CD1 4.35Å; L290-I293 HydrophobicContact CD2-CG1 4.37Å; L290-I293 WeakPolarHBondContact O-CB 3.48Å; L290-I293 VanDerWaalsContact O-CG2 3.23Å; L290-I293 WeakPolarHBondContact O-CG2 3.07Å; L290-I293 PolarHBondContact O-N 2.88Å; L290-F299 HydrophobicContact CD2-CE2 4.23Å |
| 291 | E | 98.3 | Very high | 98.6 | Very high | 115 Ų | 115 | 35.7 Ų | 35.7 | 54% | 0.537 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 113.5 | 175 | -170.6 | -166.3 | -149.6 | 0 | 0 | 110.1 | K255 L256 S257 S289 | K255-E291 IonicContact NZ-OE2 2.62Å; K255-E291 PolarHBondContact NZ-OE2 2.79Å; L256-E291 CarbonylContact C-O 3.5Å; L256-E291 VanDerWaalsContact CB-O 3.25Å; L256-E291 WeakPolarHBondContact CB-O 3.1Å; S257-E291 WeakPolarHBondContact CB-OE2 3.44Å; S257-E291 PolarHBondContact N-O 3.12Å; S257-E291 PolarHBondContact OG-OE2 2.88Å; S289-E291 VanDerWaalsContact C-N 3.33Å |
| 292 | G | 98.3 | Very high | 98.6 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | 3.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | L290 D294 F295 | L290-G292 PolarHBondContact O-N 2.86Å; G292-D294 PolarHBondContact O-N 2.99Å; G292-F295 WeakPolarHBondContact O-CD2 3.34Å; G292-F295 PolarHBondContact O-N 3.32Å |
| 293 | I | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -61.6 | -23.2 | 177.8 | -169.7 | 61.4 | 0 | 0 | 0 | 113.6 | L128 P129 V272 L290 F295 A296 F299 | L128-I293 HydrophobicContact CD2-CD1 4.3Å; L128-I293 HydrophobicContact CD2-CG1 3.95Å; P129-I293 HydrophobicContact CG-CG1 4.27Å; P129-I293 HydrophobicContact CG-CG2 3.87Å; V272-I293 HydrophobicContact CG2-CD1 4.12Å; L290-I293 HydrophobicContact CB-CB 4.4Å; L290-I293 HydrophobicContact CB-CG2 4.36Å; L290-I293 HydrophobicContact CD2-CB 4.47Å; L290-I293 HydrophobicContact CD2-CD1 4.35Å; L290-I293 HydrophobicContact CD2-CG1 4.37Å; L290-I293 WeakPolarHBondContact O-CB 3.48Å; L290-I293 VanDerWaalsContact O-CG2 3.23Å; L290-I293 WeakPolarHBondContact O-CG2 3.07Å; L290-I293 PolarHBondContact O-N 2.88Å; I293-F295 PolarHBondContact O-N 2.89Å; I293-F295 VanDerWaalsContact O-N 3.17Å; I293-A296 HydrophobicContact CD1-CB 3.89Å; I293-A296 VanDerWaalsContact O-CB 3.28Å; I293-A296 WeakPolarHBondContact O-CB 3.46Å; I293-A296 PolarHBondContact O-N 2.93Å; I293-F299 HydrophobicContact CD1-CD2 3.82Å; I293-F299 HydrophobicContact CD1-CE2 4.47Å |
| 294 | D | 98.5 | Very high | 98.6 | Very high | 98 Ų | 98 | 36.4 Ų | 36.4 | 52% | 0.524 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -61.4 | -23.6 | 178.5 | -60.1 | -68.9 | 0 | 0 | 0 | 113.5 | P129 F131 G292 A296 K319 | P129-D294 WeakPolarHBondContact CG-OD1 3.32Å; F131-D294 VanDerWaalsContact CZ-O 3.3Å; F131-D294 WeakPolarHBondContact CZ-O 3.4Å; G292-D294 PolarHBondContact O-N 2.99Å; D294-A296 VanDerWaalsContact C-N 3.35Å; D294-K319 PolarHBondContact O-NZ 3.01Å |
| 295 | F | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 22% | 0.224 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -79.3 | -15.7 | 175.6 | -63.5 | -74.6 | 0 | 0 | 0 | 113.2 | G260 P261 E264 L270 G292 I293 Q297 | G260-F295 VanDerWaalsContact C-CG 3.47Å; P261-F295 HydrophobicContact CB-CZ 4.39Å; P261-F295 HydrophobicContact CG-CE1 4.43Å; P261-F295 HydrophobicContact CG-CE2 3.84Å; P261-F295 HydrophobicContact CG-CZ 3.78Å; E264-F295 HydrophobicContact CB-CD1 3.92Å; E264-F295 HydrophobicContact CB-CE1 4.28Å; E264-F295 WeakPolarHBondContact OE2-CE1 3.28Å; L270-F295 HydrophobicContact CD2-CB 4.03Å; G292-F295 WeakPolarHBondContact O-CD2 3.34Å; G292-F295 PolarHBondContact O-N 3.32Å; I293-F295 PolarHBondContact O-N 2.89Å; I293-F295 VanDerWaalsContact O-N 3.17Å; F295-Q297 VanDerWaalsContact O-CD 3.29Å; F295-Q297 PolarHBondContact O-NE2 2.95Å; F295-Q297 PolarHBondContact O-OE1 3.14Å |
| 296 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -70.3 | 132.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F132 L270 V272 I293 D294 | F132-A296 HydrophobicContact CZ-CB 4.32Å; L270-A296 HydrophobicContact CD2-CB 4.42Å; L270-A296 HydrophobicContact CG-CB 4.37Å; V272-A296 HydrophobicContact CG2-CB 3.83Å; I293-A296 HydrophobicContact CD1-CB 3.89Å; I293-A296 VanDerWaalsContact O-CB 3.28Å; I293-A296 WeakPolarHBondContact O-CB 3.46Å; I293-A296 PolarHBondContact O-N 2.93Å; D294-A296 VanDerWaalsContact C-N 3.35Å | ||
| 297 | Q | 98.9 | Very high | 98.6 | Very high | 41 Ų | 41 | 29 Ų | 29 | 19% | 0.192 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -85.1 | -22.7 | 171.6 | -76.6 | 61.9 | 43.3 | 0 | 0 | 111 | W269 L270 F295 V318 K319 | W269-Q297 HydrophobicContact CD2-CB 3.67Å; W269-Q297 HydrophobicContact CD2-CG 4.27Å; W269-Q297 HydrophobicContact CE3-CB 4.34Å; W269-Q297 HydrophobicContact CG-CB 3.85Å; W269-Q297 HydrophobicContact CG-CG 4.36Å; W269-Q297 HydrophobicContact CZ2-CB 4.06Å; L270-Q297 PolarHBondContact O-N 2.89Å; F295-Q297 VanDerWaalsContact O-CD 3.29Å; F295-Q297 PolarHBondContact O-NE2 2.95Å; F295-Q297 PolarHBondContact O-OE1 3.14Å; Q297-V318 WeakPolarHBondContact O-CA 3.49Å; Q297-K319 PolarHBondContact O-N 3.19Å |
| 298 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 152 | 174.3 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | W269 L270 H271 V272 W317 | W269-S298 PolarHBondContact NE1-OG 3.38Å; L270-S298 PolarHBondContact O-N 3.43Å; H271-S298 WeakPolarHBondContact CA-OG 3.41Å; H271-S298 WeakPolarHBondContact CB-OG 3.32Å; H271-S298 PolarHBondContact ND1-OG 2.85Å; V272-S298 PolarHBondContact N-O 2.83Å; S298-W317 CarbonylContact C-O 3.32Å; S298-W317 WeakPolarHBondContact CA-O 3.33Å; S298-W317 WeakPolarHBondContact CB-O 3.13Å |
| 299 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.9 | 178.7 | 177.5 | -87.7 | 0 | 0 | 0 | 109.7 | L126 L128 F132 V272 A274 Y281 L290 I293 F301 F316 W317 | L126-F299 HydrophobicContact CD1-CE1 4.28Å; L128-F299 HydrophobicContact CD1-CD1 3.65Å; L128-F299 HydrophobicContact CD1-CE1 3.95Å; L128-F299 HydrophobicContact CD1-CG 4.15Å; L128-F299 HydrophobicContact CD2-CD1 4.23Å; L128-F299 HydrophobicContact CD2-CD2 4.06Å; L128-F299 HydrophobicContact CD2-CE1 4.3Å; L128-F299 HydrophobicContact CD2-CE2 4.12Å; L128-F299 HydrophobicContact CD2-CG 4.12Å; L128-F299 HydrophobicContact CD2-CZ 4.24Å; F132-F299 HydrophobicContact CE2-CB 4.42Å; F132-F299 HydrophobicContact CZ-CB 4.32Å; V272-F299 HydrophobicContact CB-CD2 3.83Å; V272-F299 HydrophobicContact CG1-CD2 3.68Å; V272-F299 HydrophobicContact CG1-CE2 3.93Å; V272-F299 WeakPolarHBondContact O-CA 3.46Å; A274-F299 HydrophobicContact CB-CE1 4.44Å; A274-F299 HydrophobicContact CB-CE2 3.58Å; A274-F299 HydrophobicContact CB-CZ 3.5Å; A274-F299 VanDerWaalsContact CB-CZ 3.5Å; Y281-F299 HydrophobicContact CD2-CZ 4.34Å; Y281-F299 HydrophobicContact CE2-CE2 4.47Å; Y281-F299 HydrophobicContact CE2-CZ 4.33Å; L290-F299 HydrophobicContact CD2-CE2 4.23Å; I293-F299 HydrophobicContact CD1-CD2 3.82Å; I293-F299 HydrophobicContact CD1-CE2 4.47Å; F299-F301 HydrophobicContact CE1-CB 4.07Å; F299-F301 AromaticContact CE1-CD1 3.93Å; F299-F301 HydrophobicContact CE1-CD1 3.93Å; F299-F301 HydrophobicContact CE1-CG 4.31Å; F299-F301 HydrophobicContact CZ-CB 4.38Å; F299-F316 WeakPolarHBondContact O-CA 3.27Å; F299-W317 AromaticContact CD1-CE3 3.87Å; F299-W317 HydrophobicContact CD1-CE3 3.87Å; F299-W317 HydrophobicContact CD1-CZ3 4.09Å; F299-W317 HydrophobicContact CE1-CZ3 4.34Å; F299-W317 PolarHBondContact N-O 3.2Å; F299-W317 PolarHBondContact O-N 3.07Å |
| 300 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.8 | 177 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | V149 H271 V272 D273 A274 T314 A315 F316 | V149-V300 HydrophobicContact CB-CG1 4.46Å; V149-V300 HydrophobicContact CB-CG2 4.32Å; V149-V300 HydrophobicContact CG1-CG1 3.89Å; V149-V300 HydrophobicContact CG2-CB 4.5Å; V149-V300 HydrophobicContact CG2-CG1 4.13Å; V149-V300 HydrophobicContact CG2-CG2 3.73Å; H271-V300 VanDerWaalsContact CE1-CG1 3.48Å; H271-V300 WeakPolarHBondContact CE1-CG1 3.41Å; V272-V300 PolarHBondContact O-N 3.4Å; D273-V300 HydrophobicContact CB-CG1 4.34Å; A274-V300 CarbonylContact C-O 3.4Å; A274-V300 WeakPolarHBondContact CA-O 3.43Å; A274-V300 PolarHBondContact N-O 3.38Å; V300-T314 HydrophobicContact CG2-CG2 3.45Å; V300-T314 VanDerWaalsContact CG2-CG2 3.45Å; V300-A315 WeakPolarHBondContact CA-O 3.26Å; V300-F316 HydrophobicContact CB-CD2 3.99Å; V300-F316 HydrophobicContact CG2-CB 4.18Å; V300-F316 HydrophobicContact CG2-CD2 4.25Å |
| 301 | F | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 166.4 | 165 | 91.1 | -65.7 | 0 | 0 | 0 | 112.5 | L122 L126 A274 F282 F299 P303 M307 A315 W317 | L122-F301 HydrophobicContact CD1-CZ 4.08Å; L122-F301 HydrophobicContact CD2-CE1 3.76Å; L122-F301 HydrophobicContact CD2-CZ 3.86Å; L122-F301 HydrophobicContact CG-CE1 4.11Å; L122-F301 HydrophobicContact CG-CZ 4.14Å; L126-F301 HydrophobicContact CD1-CD1 3.98Å; L126-F301 HydrophobicContact CD1-CE1 3.52Å; L126-F301 HydrophobicContact CD1-CZ 4.05Å; L126-F301 HydrophobicContact CD2-CE1 4.39Å; L126-F301 HydrophobicContact CD2-CE2 4.47Å; L126-F301 HydrophobicContact CD2-CZ 4.17Å; L126-F301 HydrophobicContact CG-CE1 4.5Å; A274-F301 HydrophobicContact CB-CB 4.22Å; A274-F301 VanDerWaalsContact O-CB 3.29Å; A274-F301 WeakPolarHBondContact O-CB 3.19Å; F282-F301 HydrophobicContact CZ-CE2 4.43Å; F282-F301 HydrophobicContact CZ-CZ 4.35Å; F299-F301 HydrophobicContact CE1-CB 4.07Å; F299-F301 AromaticContact CE1-CD1 3.93Å; F299-F301 HydrophobicContact CE1-CD1 3.93Å; F299-F301 HydrophobicContact CE1-CG 4.31Å; F299-F301 HydrophobicContact CZ-CB 4.38Å; F301-P303 HydrophobicContact CE1-CG 4.16Å; F301-P303 HydrophobicContact CE2-CG 4.15Å; F301-P303 HydrophobicContact CZ-CG 3.73Å; F301-P303 WeakPolarHBondContact O-CD 3.47Å; F301-M307 HydrophobicContact CZ-SD 4.38Å; F301-A315 HydrophobicContact CD1-CB 3.92Å; F301-A315 HydrophobicContact CE1-CB 3.59Å; F301-A315 PolarHBondContact N-O 2.9Å; F301-A315 PolarHBondContact O-N 2.7Å; F301-W317 HydrophobicContact CD1-CH2 4.27Å; F301-W317 AromaticContact CD1-CZ3 3.8Å; F301-W317 HydrophobicContact CD1-CZ3 3.8Å; F301-W317 AromaticContact CE1-CH2 3.78Å; F301-W317 HydrophobicContact CE1-CH2 3.78Å; F301-W317 AromaticContact CE1-CZ3 3.8Å; F301-W317 HydrophobicContact CE1-CZ3 3.8Å |
| 302 | N | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | trans | -103.2 | 104.5 | 179.5 | -71.7 | -15 | 0 | 0 | 0 | 111.8 | V149 A275 S304 K305 T314 | V149-N302 WeakPolarHBondContact CG2-OD1 3.38Å; A275-N302 WeakPolarHBondContact O-CB 3.37Å; A275-N302 PolarHBondContact O-N 3.12Å; N302-S304 WeakPolarHBondContact CB-OG 3.37Å; N302-S304 PolarHBondContact O-N 3.14Å; N302-K305 HydrophobicContact CB-CB 3.94Å; N302-K305 HydrophobicContact CB-CD 4.08Å; N302-K305 HydrophobicContact CB-CG 3.71Å; N302-K305 PolarHBondContact O-N 3.4Å; N302-T314 WeakPolarHBondContact OD1-CG2 3.3Å; N302-T314 PolarHBondContact OD1-OG1 2.96Å | ||
| 303 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -49.9 | -34.2 | 153.6 | -27.1 | 34.3 | 0 | 0 | 0 | 111.9 | L122 F301 K305 M307 V309 C313 A315 L362 | L122-P303 HydrophobicContact CD2-CG 4.15Å; F301-P303 HydrophobicContact CE1-CG 4.16Å; F301-P303 HydrophobicContact CE2-CG 4.15Å; F301-P303 HydrophobicContact CZ-CG 3.73Å; F301-P303 WeakPolarHBondContact O-CD 3.47Å; P303-K305 PolarHBondContact O-N 3.38Å; P303-K305 VanDerWaalsContact O-N 3.15Å; P303-M307 HydrophobicContact CB-CB 4.11Å; P303-M307 HydrophobicContact CB-SD 3.77Å; P303-M307 HydrophobicContact CG-SD 4.15Å; P303-M307 WeakPolarHBondContact O-CB 3.32Å; P303-M307 PolarHBondContact O-N 3.18Å; P303-V309 HydrophobicContact CB-CB 4.12Å; P303-V309 HydrophobicContact CB-CG2 3.97Å; P303-C313 HydrophobicContact CB-CB 4.34Å; P303-C313 WeakPolarHBondContact CD-O 3.06Å; P303-A315 HydrophobicContact CG-CB 4.03Å; P303-L362 HydrophobicContact CB-CD1 4.32Å; P303-L362 HydrophobicContact CG-CD1 4.47Å |
| 304 | S | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.1 | -7.7 | 176 | 57.3 | 0 | 0 | 0 | 0 | 116.7 | S82 N302 V309 C313 | S82-S304 WeakPolarHBondContact CA-O 3.48Å; N302-S304 WeakPolarHBondContact CB-OG 3.37Å; N302-S304 PolarHBondContact O-N 3.14Å; S304-V309 VanDerWaalsContact CA-O 3.22Å; S304-V309 WeakPolarHBondContact CA-O 3.37Å; S304-C313 WeakPolarHBondContact CB-O 3.43Å; S304-C313 PolarHBondContact N-O 3.17Å; S304-C313 PolarHBondContact OG-O 3.04Å |
| 305 | K | 98.9 | Very high | 98.9 | Very high | 40 Ų | 40 | 16 Ų | 16 | 17% | 0.174 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -91.4 | -74.9 | 171.2 | -77.5 | -178.6 | 172.5 | 175.6 | 0 | 111.5 | P81 L83 A275 N302 P303 | P81-K305 CarbonylContact C-O 3.56Å; P81-K305 CarbonylContact O-C 3.58Å; P81-K305 WeakPolarHBondContact O-CA 3.28Å; P81-K305 WeakPolarHBondContact O-CB 3.28Å; P81-K305 WeakPolarHBondContact O-CG 3.47Å; L83-K305 PolarHBondContact N-O 3.3Å; A275-K305 HydrophobicContact CB-CD 4.31Å; A275-K305 VanDerWaalsContact CB-NZ 3.28Å; A275-K305 WeakPolarHBondContact O-CD 3.24Å; N302-K305 HydrophobicContact CB-CB 3.94Å; N302-K305 HydrophobicContact CB-CD 4.08Å; N302-K305 HydrophobicContact CB-CG 3.71Å; N302-K305 PolarHBondContact O-N 3.4Å; P303-K305 PolarHBondContact O-N 3.38Å; P303-K305 VanDerWaalsContact O-N 3.15Å |
| 306 | W | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -122.2 | 14.3 | -164.3 | -152.4 | 25.1 | 0 | 0 | 0 | 114.1 | P81 Y276 H377 V378 I382 L406 | P81-W306 HydrophobicContact CG-CG 4.33Å; Y276-W306 HydrophobicContact CD2-CB 4.34Å; Y276-W306 HydrophobicContact CD2-CE3 4.33Å; Y276-W306 HydrophobicContact CE1-CZ3 4.42Å; Y276-W306 HydrophobicContact CE2-CB 4.19Å; Y276-W306 AromaticContact CE2-CD2 3.66Å; Y276-W306 HydrophobicContact CE2-CD2 3.66Å; Y276-W306 AromaticContact CE2-CE3 3.57Å; Y276-W306 HydrophobicContact CE2-CE3 3.57Å; Y276-W306 AromaticContact CE2-CG 3.96Å; Y276-W306 HydrophobicContact CE2-CG 3.96Å; Y276-W306 HydrophobicContact CE2-CZ3 4.16Å; Y276-W306 AromaticContact CZ-CE3 3.69Å; Y276-W306 AromaticContact CZ-CZ3 3.77Å; Y276-W306 WeakPolarHBondContact OH-CH2 3.37Å; Y276-W306 WeakPolarHBondContact OH-CZ3 3.49Å; W306-H377 AromaticContact CD1-NE2 3.55Å; W306-H377 AromaticContact NE1-NE2 3.77Å; W306-H377 PolarHBondContact O-CD2 3.28Å; W306-H377 PolarHBondContact O-NE2 3.19Å; W306-V378 HydrophobicContact CH2-CG1 4.24Å; W306-V378 HydrophobicContact CZ3-CG1 4.19Å; W306-I382 HydrophobicContact CH2-CD1 4.45Å; W306-I382 HydrophobicContact CH2-CG1 3.84Å; W306-L406 HydrophobicContact CH2-CB 4.33Å; W306-L406 HydrophobicContact CZ3-CB 4.23Å; W306-L406 HydrophobicContact CZ3-CD1 4.36Å |
| 307 | M | 98.7 | Very high | 98.9 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -103.7 | 5.4 | 175.5 | -166 | -177.4 | 171.9 | 0 | 0 | 113 | L122 F282 F301 P303 V309 L362 M366 L374 | L122-M307 HydrophobicContact CD1-CE 3.68Å; L122-M307 HydrophobicContact CD1-SD 3.91Å; F282-M307 HydrophobicContact CE2-CB 4.3Å; F282-M307 HydrophobicContact CE2-CE 4.37Å; F282-M307 HydrophobicContact CE2-CG 3.69Å; F282-M307 HydrophobicContact CE2-SD 4Å; F282-M307 HydrophobicContact CZ-CE 3.82Å; F282-M307 HydrophobicContact CZ-CG 3.86Å; F282-M307 HydrophobicContact CZ-SD 3.5Å; F282-M307 WeakPolarHBondContact CZ-SD 2.99Å; F301-M307 HydrophobicContact CZ-SD 4.38Å; P303-M307 HydrophobicContact CB-CB 4.11Å; P303-M307 HydrophobicContact CB-SD 3.77Å; P303-M307 HydrophobicContact CG-SD 4.15Å; P303-M307 WeakPolarHBondContact O-CB 3.32Å; P303-M307 PolarHBondContact O-N 3.18Å; M307-V309 HydrophobicContact CG-CG2 4.49Å; M307-V309 PolarHBondContact O-N 3.09Å; M307-L362 HydrophobicContact CE-CD1 3.81Å; M307-L362 HydrophobicContact SD-CD1 4.02Å; M307-M366 HydrophobicContact CE-CG 3.5Å; M307-M366 VanDerWaalsContact CE-CG 3.5Å; M307-M366 HydrophobicContact CE-SD 4.04Å; M307-L374 HydrophobicContact CE-CD1 3.88Å; M307-L374 HydrophobicContact CG-CD2 4.43Å |
| 308 | M | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.015 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 62.6 | 24.3 | 180 | -48.1 | 174.4 | -75.8 | 0 | 0 | 114.9 | L83 S85 F369 L374 H377 Q453 | L83-M308 HydrophobicContact CB-CB 4.37Å; L83-M308 HydrophobicContact CB-CG 4.19Å; L83-M308 HydrophobicContact CD1-CG 4.04Å; L83-M308 CarbonylContact O-C 3.58Å; L83-M308 WeakPolarHBondContact O-CA 3.39Å; S85-M308 WeakPolarHBondContact CB-O 3.24Å; S85-M308 PolarHBondContact OG-O 3.03Å; M308-F369 HydrophobicContact CB-CE2 4.49Å; M308-F369 HydrophobicContact CE-CD1 3.94Å; M308-F369 HydrophobicContact CE-CD2 4Å; M308-F369 HydrophobicContact CE-CE1 3.76Å; M308-F369 HydrophobicContact CE-CE2 3.81Å; M308-F369 HydrophobicContact CE-CG 4.05Å; M308-F369 HydrophobicContact CE-CZ 3.69Å; M308-F369 HydrophobicContact SD-CE1 4.14Å; M308-F369 HydrophobicContact SD-CE2 4.31Å; M308-F369 HydrophobicContact SD-CZ 3.82Å; M308-L374 HydrophobicContact CE-CD2 3.57Å; M308-H377 HydrophobicContact CE-CB 4.2Å; M308-Q453 HydrophobicContact CG-CB 4.36Å; M308-Q453 HydrophobicContact SD-CB 3.62Å; M308-Q453 HydrophobicContact SD-CG 3.76Å |
| 309 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | P | Polyproline II helix | trans | -94.4 | 122.4 | 165.5 | -174.4 | 0 | 0 | 0 | 0 | 106.9 | L83 S88 P303 S304 M307 C313 K361 L362 V365 | L83-V309 CarbonylContact O-C 3.52Å; L83-V309 VanDerWaalsContact O-C 3.32Å; S88-V309 WeakPolarHBondContact OG-CA 3.22Å; P303-V309 HydrophobicContact CB-CB 4.12Å; P303-V309 HydrophobicContact CB-CG2 3.97Å; S304-V309 VanDerWaalsContact CA-O 3.22Å; S304-V309 WeakPolarHBondContact CA-O 3.37Å; M307-V309 HydrophobicContact CG-CG2 4.49Å; M307-V309 PolarHBondContact O-N 3.09Å; V309-C313 HydrophobicContact CB-CB 4.36Å; V309-C313 HydrophobicContact CG1-CB 3.68Å; V309-K361 HydrophobicContact CG1-CD 3.87Å; V309-K361 HydrophobicContact CG1-CG 3.98Å; V309-L362 HydrophobicContact CG2-CD1 3.86Å; V309-V365 HydrophobicContact CG2-CB 3.98Å; V309-V365 HydrophobicContact CG2-CG1 3.88Å; V309-V365 HydrophobicContact CG2-CG2 3.95Å |
| 310 | H | 98.9 | Very high | 98.9 | Very high | 41 Ų | 41 | 16.2 Ų | 16.2 | 19% | 0.19 | 8% | 0.075 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 150.6 | -178.2 | 70.9 | -79.9 | 0 | 0 | 0 | 112 | S88 D92 K361 | S88-H310 PolarHBondContact O-CE1 3.29Å; S88-H310 PolarHBondContact OG-N 3.13Å; S88-H310 PolarHBondContact OG-ND1 2.81Å; D92-H310 IonicContact OD2-CE1 3.98Å; D92-H310 PolarHBondContact OD2-CE1 3.26Å; D92-H310 IonicContact OD2-NE2 3.81Å; D92-H310 PolarHBondContact OD2-NE2 2.98Å; H310-K361 PolarHBondContact CD2-NZ 3.3Å; H310-K361 WeakPolarHBondContact CE1-CD 3.48Å; H310-K361 PolarHBondContact NE2-NZ 3.06Å; H310-K361 WeakPolarHBondContact O-CE 3.26Å; H310-K361 PolarHBondContact O-NZ 3.42Å |
| 311 | F | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 18.8 Ų | 18.8 | 51% | 0.509 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -57.9 | 138.9 | 177.3 | -175.9 | -90.2 | 0 | 0 | 0 | 111.9 | T148 | T148-F311 HydrophobicContact CG2-CE2 4.01Å; T148-F311 HydrophobicContact CG2-CZ 4.01Å |
| 312 | D | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 13% | 0.128 | 11% | 0.108 | C | C | . | . | S | Bend | cis | -89.4 | 139.9 | 1 | 66.3 | -39.2 | 0 | 0 | 0 | 113.1 | S147 R356 R358 K361 | S147-D312 WeakPolarHBondContact CB-OD2 3.15Å; D312-R356 PolarHBondContact O-NH2 3.14Å; D312-R356 IonicContact OD1-CZ 2.87Å; D312-R356 IonicContact OD1-NE 3.35Å; D312-R356 PolarHBondContact OD1-NE 3.36Å; D312-R356 VanDerWaalsContact OD1-NE 3.12Å; D312-R356 IonicContact OD1-NH2 3.88Å; D312-R356 PolarHBondContact OD1-NH2 3.16Å; D312-R356 IonicContact OD2-NE 3.54Å; D312-R358 IonicContact OD1-NE 3.84Å; D312-R358 IonicContact OD2-CZ 3.7Å; D312-R358 VanDerWaalsContact OD2-CZ 3.23Å; D312-R358 IonicContact OD2-NE 3.12Å; D312-R358 PolarHBondContact OD2-NE 2.82Å; D312-R358 IonicContact OD2-NH2 2.7Å; D312-R358 PolarHBondContact OD2-NH2 2.79Å; D312-K361 WeakPolarHBondContact O-CE 3.32Å; D312-K361 PolarHBondContact O-NZ 2.83Å |
| 313 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -169 | 102.9 | 170.5 | -169 | 0 | 0 | 0 | 0 | 109.7 | P303 S304 V309 | P303-C313 HydrophobicContact CB-CB 4.34Å; P303-C313 WeakPolarHBondContact CD-O 3.06Å; S304-C313 WeakPolarHBondContact CB-O 3.43Å; S304-C313 PolarHBondContact N-O 3.17Å; S304-C313 PolarHBondContact OG-O 3.04Å; V309-C313 HydrophobicContact CB-CB 4.36Å; V309-C313 HydrophobicContact CG1-CB 3.68Å | ||
| 314 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 108.7 | L145 Q146 S147 T148 V149 V300 N302 | L145-T314 CarbonylContact C-O 3.6Å; L145-T314 VanDerWaalsContact CA-O 3.23Å; L145-T314 WeakPolarHBondContact CA-O 3.19Å; L145-T314 WeakPolarHBondContact CD2-O 3.32Å; Q146-T314 HydrophobicContact CB-CG2 4.26Å; Q146-T314 PolarHBondContact N-O 3.17Å; Q146-T314 WeakPolarHBondContact O-CB 3.25Å; Q146-T314 PolarHBondContact O-N 3.01Å; S147-T314 VanDerWaalsContact C-OG1 3.29Å; S147-T314 PolarHBondContact O-OG1 3.33Å; T148-T314 WeakPolarHBondContact CA-OG1 3.42Å; T148-T314 PolarHBondContact N-OG1 3.25Å; V149-T314 HydrophobicContact CG2-CG2 3.98Å; V149-T314 PolarHBondContact N-OG1 3Å; V300-T314 HydrophobicContact CG2-CG2 3.45Å; V300-T314 VanDerWaalsContact CG2-CG2 3.45Å; N302-T314 WeakPolarHBondContact OD1-CG2 3.3Å; N302-T314 PolarHBondContact OD1-OG1 2.96Å |
| 315 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | M119 L122 L145 V300 F301 P303 W317 | M119-A315 HydrophobicContact CE-CB 3.8Å; M119-A315 HydrophobicContact SD-CB 4.09Å; L122-A315 HydrophobicContact CD2-CB 3.76Å; L145-A315 HydrophobicContact CD2-CB 4.29Å; V300-A315 WeakPolarHBondContact CA-O 3.26Å; F301-A315 HydrophobicContact CD1-CB 3.92Å; F301-A315 HydrophobicContact CE1-CB 3.59Å; F301-A315 PolarHBondContact N-O 2.9Å; F301-A315 PolarHBondContact O-N 2.7Å; P303-A315 HydrophobicContact CG-CB 4.03Å; A315-W317 HydrophobicContact CB-CE3 4.3Å; A315-W317 HydrophobicContact CB-CH2 3.42Å; A315-W317 VanDerWaalsContact CB-CH2 3.42Å; A315-W317 HydrophobicContact CB-CZ2 4.37Å; A315-W317 HydrophobicContact CB-CZ3 3.36Å |
| 316 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.7 | -176.9 | 174.8 | -123.3 | 0 | 0 | 0 | 109.9 | G143 L144 Q146 V155 A156 H271 F299 V300 V318 L324 | G143-F316 CarbonylContact C-O 3.58Å; G143-F316 VanDerWaalsContact CA-O 3.24Å; G143-F316 WeakPolarHBondContact CA-O 3.23Å; L144-F316 HydrophobicContact CD2-CB 4.45Å; L144-F316 HydrophobicContact CD2-CD1 3.54Å; L144-F316 HydrophobicContact CD2-CE1 4.27Å; L144-F316 HydrophobicContact CD2-CG 4.41Å; L144-F316 HydrophobicContact CG-CD1 4.47Å; L144-F316 PolarHBondContact N-O 3.34Å; L144-F316 PolarHBondContact O-N 3.02Å; Q146-F316 HydrophobicContact CG-CB 4Å; Q146-F316 HydrophobicContact CG-CD1 4.43Å; V155-F316 HydrophobicContact CB-CE1 4.41Å; V155-F316 HydrophobicContact CG1-CD1 4.38Å; V155-F316 HydrophobicContact CG1-CE1 3.54Å; V155-F316 HydrophobicContact CG1-CZ 4.01Å; A156-F316 HydrophobicContact CB-CE2 4.21Å; A156-F316 HydrophobicContact CB-CZ 4.15Å; H271-F316 AromaticContact CE1-CE2 3.99Å; F299-F316 WeakPolarHBondContact O-CA 3.27Å; V300-F316 HydrophobicContact CB-CD2 3.99Å; V300-F316 HydrophobicContact CG2-CB 4.18Å; V300-F316 HydrophobicContact CG2-CD2 4.25Å; F316-V318 HydrophobicContact CD1-CG1 4.45Å; F316-V318 HydrophobicContact CE1-CG1 3.56Å; F316-V318 HydrophobicContact CE2-CG1 4.23Å; F316-V318 HydrophobicContact CZ-CG1 3.44Å; F316-V318 VanDerWaalsContact CZ-CG1 3.44Å; F316-L324 HydrophobicContact CE1-CD1 4.24Å; F316-L324 HydrophobicContact CE1-CD2 4.16Å |
| 317 | W | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.5 | 177.1 | -70.2 | -95.4 | 0 | 0 | 0 | 111.4 | M119 L122 C123 L126 L128 F132 G142 S298 F299 F301 A315 | M119-W317 HydrophobicContact CE-CD2 3.84Å; M119-W317 VanDerWaalsContact CE-CE2 3.41Å; M119-W317 HydrophobicContact CE-CE3 4.16Å; M119-W317 HydrophobicContact CE-CH2 3.79Å; M119-W317 HydrophobicContact CE-CZ2 3.4Å; M119-W317 HydrophobicContact CE-CZ3 4.14Å; M119-W317 WeakPolarHBondContact O-CZ2 3.31Å; M119-W317 HydrophobicContact SD-CZ2 4.14Å; L122-W317 HydrophobicContact CB-CH2 4.19Å; L122-W317 HydrophobicContact CB-CZ2 3.98Å; L122-W317 HydrophobicContact CD2-CH2 3.67Å; L122-W317 HydrophobicContact CD2-CZ2 4.19Å; L122-W317 HydrophobicContact CG-CH2 3.76Å; L122-W317 HydrophobicContact CG-CZ2 4.09Å; C123-W317 HydrophobicContact CB-CZ2 4.2Å; L126-W317 HydrophobicContact CD1-CH2 3.73Å; L126-W317 HydrophobicContact CD1-CZ3 4.08Å; L128-W317 HydrophobicContact CD1-CD2 4.21Å; L128-W317 HydrophobicContact CD1-CE3 4.13Å; L128-W317 HydrophobicContact CD1-CZ3 4.32Å; F132-W317 HydrophobicContact CB-CB 4.08Å; F132-W317 HydrophobicContact CB-CG 4.12Å; F132-W317 HydrophobicContact CD1-CB 3.58Å; F132-W317 HydrophobicContact CD1-CG 4.49Å; F132-W317 HydrophobicContact CE1-CB 4.08Å; F132-W317 HydrophobicContact CG-CB 3.87Å; F132-W317 HydrophobicContact CG-CG 4.39Å; F132-W317 VanDerWaalsContact O-CD1 3.26Å; G142-W317 WeakPolarHBondContact O-CA 3.12Å; S298-W317 CarbonylContact C-O 3.32Å; S298-W317 WeakPolarHBondContact CA-O 3.33Å; S298-W317 WeakPolarHBondContact CB-O 3.13Å; F299-W317 AromaticContact CD1-CE3 3.87Å; F299-W317 HydrophobicContact CD1-CE3 3.87Å; F299-W317 HydrophobicContact CD1-CZ3 4.09Å; F299-W317 HydrophobicContact CE1-CZ3 4.34Å; F299-W317 PolarHBondContact N-O 3.2Å; F299-W317 PolarHBondContact O-N 3.07Å; F301-W317 HydrophobicContact CD1-CH2 4.27Å; F301-W317 AromaticContact CD1-CZ3 3.8Å; F301-W317 HydrophobicContact CD1-CZ3 3.8Å; F301-W317 AromaticContact CE1-CH2 3.78Å; F301-W317 HydrophobicContact CE1-CH2 3.78Å; F301-W317 AromaticContact CE1-CZ3 3.8Å; F301-W317 HydrophobicContact CE1-CZ3 3.8Å; A315-W317 HydrophobicContact CB-CE3 4.3Å; A315-W317 HydrophobicContact CB-CH2 3.42Å; A315-W317 VanDerWaalsContact CB-CH2 3.42Å; A315-W317 HydrophobicContact CB-CZ2 4.37Å; A315-W317 HydrophobicContact CB-CZ3 3.36Å |
| 318 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.5 | 172.8 | -65.1 | 0 | 0 | 0 | 0 | 110.2 | F132 G141 G142 Q297 F316 D320 K321 L324 W349 | F132-V318 VanDerWaalsContact CD1-C 3.48Å; F132-V318 WeakPolarHBondContact CD1-O 3.17Å; G141-V318 CarbonylContact C-O 3.56Å; G141-V318 WeakPolarHBondContact CA-O 3.39Å; G142-V318 PolarHBondContact N-O 2.98Å; G142-V318 VanDerWaalsContact N-O 3.08Å; G142-V318 PolarHBondContact O-N 3.37Å; Q297-V318 WeakPolarHBondContact O-CA 3.49Å; F316-V318 HydrophobicContact CD1-CG1 4.45Å; F316-V318 HydrophobicContact CE1-CG1 3.56Å; F316-V318 HydrophobicContact CE2-CG1 4.23Å; F316-V318 HydrophobicContact CZ-CG1 3.44Å; F316-V318 VanDerWaalsContact CZ-CG1 3.44Å; V318-D320 VanDerWaalsContact C-N 3.32Å; V318-K321 HydrophobicContact CG2-CB 4.47Å; V318-L324 HydrophobicContact CG1-CD1 4.17Å; V318-L324 HydrophobicContact CG1-CD2 4.16Å; V318-L324 HydrophobicContact CG2-CD2 4.19Å; V318-W349 HydrophobicContact CG2-CE3 4.16Å; V318-W349 HydrophobicContact CG2-CZ3 3.85Å |
| 319 | K | 98.8 | Very high | 98.1 | Very high | 64 Ų | 64 | 35 Ų | 35 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -73.9 | -28.5 | 177.4 | -178.6 | 168.5 | -172.4 | 171.7 | 0 | 111.9 | F131 F132 M140 G141 D294 Q297 | F131-K319 HydrophobicContact CB-CG 4.49Å; F131-K319 HydrophobicContact CD2-CB 3.91Å; F131-K319 HydrophobicContact CD2-CD 3.83Å; F131-K319 HydrophobicContact CD2-CG 3.53Å; F131-K319 HydrophobicContact CE2-CB 4.07Å; F131-K319 HydrophobicContact CE2-CD 3.7Å; F131-K319 HydrophobicContact CE2-CG 3.86Å; F131-K319 HydrophobicContact CG-CD 4.31Å; F131-K319 HydrophobicContact CG-CG 4.08Å; F131-K319 HydrophobicContact CZ-CD 4.06Å; F132-K319 HydrophobicContact CE1-CB 4.09Å; M140-K319 CarbonylContact C-O 3.55Å; G141-K319 WeakPolarHBondContact CA-O 3.18Å; G141-K319 PolarHBondContact N-O 3.18Å; D294-K319 PolarHBondContact O-NZ 3.01Å; Q297-K319 PolarHBondContact O-N 3.19Å |
| 320 | D | 98.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -135.9 | 109.1 | 179.6 | -175.3 | -19 | 0 | 0 | 0 | 109.6 | V318 H322 K323 | V318-D320 VanDerWaalsContact C-N 3.32Å; D320-H322 VanDerWaalsContact C-N 3.3Å; D320-H322 PolarHBondContact O-N 3.07Å; D320-H322 WeakPolarHBondContact OD1-CA 3.37Å; D320-H322 VanDerWaalsContact OD1-CB 3.31Å; D320-H322 WeakPolarHBondContact OD1-CB 3.36Å; D320-H322 IonicContact OD1-CD2 2.8Å; D320-H322 IonicContact OD1-CG 2.87Å; D320-H322 PolarHBondContact OD1-N 3.07Å; D320-K323 HydrophobicContact CB-CD 4.4Å; D320-K323 HydrophobicContact CB-CG 4.22Å; D320-K323 PolarHBondContact OD1-N 3.04Å |
| 321 | K | 98.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.4 | -24.9 | 179.8 | 71.2 | -164.6 | 171.9 | -174 | 0 | 113.2 | M140 V318 K323 L324 Q325 W349 | M140-K321 VanDerWaalsContact O-CG 3.27Å; M140-K321 WeakPolarHBondContact O-CG 2.99Å; M140-K321 PolarHBondContact O-N 3.29Å; V318-K321 HydrophobicContact CG2-CB 4.47Å; K321-K323 VanDerWaalsContact C-N 3.28Å; K321-K323 PolarHBondContact O-N 2.98Å; K321-L324 VanDerWaalsContact O-CB 3.28Å; K321-L324 WeakPolarHBondContact O-CB 3.22Å; K321-L324 PolarHBondContact O-N 3.49Å; K321-L324 VanDerWaalsContact O-N 3.07Å; K321-Q325 WeakPolarHBondContact O-CG 3.39Å; K321-Q325 PolarHBondContact O-N 2.82Å; K321-W349 HydrophobicContact CB-CE3 4.35Å; K321-W349 HydrophobicContact CB-CH2 3.33Å; K321-W349 HydrophobicContact CB-CZ2 3.51Å; K321-W349 HydrophobicContact CB-CZ3 3.78Å; K321-W349 HydrophobicContact CD-CH2 3.8Å; K321-W349 HydrophobicContact CD-CZ2 3.65Å; K321-W349 HydrophobicContact CG-CH2 4.19Å; K321-W349 HydrophobicContact CG-CZ2 4.09Å |
| 322 | H | 98.1 | Very high | 97.2 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.7 | -32.5 | -178.8 | -59.9 | -58.8 | 0 | 0 | 0 | 111.2 | D320 L324 Q325 Q326 | D320-H322 VanDerWaalsContact C-N 3.3Å; D320-H322 PolarHBondContact O-N 3.07Å; D320-H322 WeakPolarHBondContact OD1-CA 3.37Å; D320-H322 VanDerWaalsContact OD1-CB 3.31Å; D320-H322 WeakPolarHBondContact OD1-CB 3.36Å; D320-H322 IonicContact OD1-CD2 2.8Å; D320-H322 IonicContact OD1-CG 2.87Å; D320-H322 PolarHBondContact OD1-N 3.07Å; H322-L324 PolarHBondContact O-N 3.44Å; H322-Q325 PolarHBondContact ND1-OE1 2.77Å; H322-Q325 VanDerWaalsContact ND1-OE1 3.09Å; H322-Q325 PolarHBondContact O-N 2.63Å; H322-Q326 WeakPolarHBondContact O-CG 3.48Å; H322-Q326 PolarHBondContact O-N 2.77Å |
| 323 | K | 98.3 | Very high | 97 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -29 | 171.3 | -64.7 | -167.6 | -179.5 | -161 | 0 | 113.4 | D163 W269 D320 K321 Q326 T327 | D163-K323 HydrophobicContact CB-CD 4.42Å; D163-K323 IonicContact OD1-NZ 3.21Å; D163-K323 WeakPolarHBondContact OD2-CE 3.26Å; D163-K323 IonicContact OD2-NZ 3.18Å; D163-K323 PolarHBondContact OD2-NZ 3.01Å; W269-K323 HydrophobicContact CE3-CD 4.37Å; W269-K323 HydrophobicContact CH2-CB 4.1Å; W269-K323 HydrophobicContact CH2-CD 4.38Å; W269-K323 HydrophobicContact CZ3-CB 3.9Å; W269-K323 HydrophobicContact CZ3-CD 3.61Å; W269-K323 HydrophobicContact CZ3-CG 4.4Å; D320-K323 HydrophobicContact CB-CD 4.4Å; D320-K323 HydrophobicContact CB-CG 4.22Å; D320-K323 PolarHBondContact OD1-N 3.04Å; K321-K323 VanDerWaalsContact C-N 3.28Å; K321-K323 PolarHBondContact O-N 2.98Å; K323-Q326 VanDerWaalsContact O-CG 3.24Å; K323-Q326 WeakPolarHBondContact O-CG 3.18Å; K323-T327 PolarHBondContact O-OG1 2.76Å |
| 324 | L | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.6 | -49.4 | 172.8 | -141.7 | 62 | 0 | 0 | 0 | 110.4 | L144 V155 A159 F316 V318 K321 H322 Q326 T327 F328 H348 W349 | L144-L324 HydrophobicContact CD2-CD2 4.27Å; V155-L324 HydrophobicContact CG1-CD1 3.5Å; V155-L324 VanDerWaalsContact CG1-CD1 3.5Å; V155-L324 HydrophobicContact CG1-CG 4.29Å; A159-L324 HydrophobicContact CB-CD1 3.91Å; F316-L324 HydrophobicContact CE1-CD1 4.24Å; F316-L324 HydrophobicContact CE1-CD2 4.16Å; V318-L324 HydrophobicContact CG1-CD1 4.17Å; V318-L324 HydrophobicContact CG1-CD2 4.16Å; V318-L324 HydrophobicContact CG2-CD2 4.19Å; K321-L324 VanDerWaalsContact O-CB 3.28Å; K321-L324 WeakPolarHBondContact O-CB 3.22Å; K321-L324 PolarHBondContact O-N 3.49Å; K321-L324 VanDerWaalsContact O-N 3.07Å; H322-L324 PolarHBondContact O-N 3.44Å; L324-Q326 PolarHBondContact O-N 2.9Å; L324-T327 VanDerWaalsContact O-CB 3.26Å; L324-T327 WeakPolarHBondContact O-CB 3.23Å; L324-T327 PolarHBondContact O-N 3.19Å; L324-F328 HydrophobicContact CD1-CE2 4.33Å; L324-F328 HydrophobicContact CG-CD2 4.47Å; L324-F328 HydrophobicContact CG-CE2 4.38Å; L324-F328 WeakPolarHBondContact O-CD2 3.36Å; L324-F328 PolarHBondContact O-N 3.21Å; L324-H348 CarbonylContact C-O 3.51Å; L324-W349 HydrophobicContact CD2-CB 3.59Å; L324-W349 HydrophobicContact CD2-CD2 4.01Å; L324-W349 HydrophobicContact CD2-CE3 3.67Å; L324-W349 HydrophobicContact CD2-CG 3.99Å; L324-W349 WeakPolarHBondContact CD2-O 3.42Å; L324-W349 HydrophobicContact CG-CB 4.44Å |
| 325 | Q | 96.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | -179.5 | -67.4 | 173.8 | -27.5 | 0 | 0 | 112.3 | K321 H322 T327 F328 S329 H348 | K321-Q325 WeakPolarHBondContact O-CG 3.39Å; K321-Q325 PolarHBondContact O-N 2.82Å; H322-Q325 PolarHBondContact ND1-OE1 2.77Å; H322-Q325 VanDerWaalsContact ND1-OE1 3.09Å; H322-Q325 PolarHBondContact O-N 2.63Å; Q325-T327 PolarHBondContact O-N 3.18Å; Q325-F328 PolarHBondContact O-N 2.97Å; Q325-F328 VanDerWaalsContact O-N 3.13Å; Q325-S329 WeakPolarHBondContact O-CB 3.42Å; Q325-S329 PolarHBondContact O-N 2.79Å; Q325-S329 PolarHBondContact O-OG 3.22Å; Q325-H348 WeakPolarHBondContact CA-O 3.32Å; Q325-H348 HydrophobicContact CB-CB 4.35Å; Q325-H348 HydrophobicContact CG-CB 3.87Å |
| 326 | Q | 97 | Very high | 96.3 | Very high | 74 Ų | 74 | 59 Ų | 59 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.6 | -19 | 176.7 | 71.3 | -178.8 | -4.7 | 0 | 0 | 113.6 | D163 H322 K323 L324 | D163-Q326 PolarHBondContact OD1-NE2 3.42Å; D163-Q326 VanDerWaalsContact OD1-NE2 3.14Å; H322-Q326 WeakPolarHBondContact O-CG 3.48Å; H322-Q326 PolarHBondContact O-N 2.77Å; K323-Q326 VanDerWaalsContact O-CG 3.24Å; K323-Q326 WeakPolarHBondContact O-CG 3.18Å; L324-Q326 PolarHBondContact O-N 2.9Å |
| 327 | T | 98 | Very high | 96.2 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -86.8 | -34.1 | -179.5 | -53 | 0 | 0 | 0 | 0 | 112 | L158 A159 K162 K323 L324 Q325 | L158-T327 HydrophobicContact CB-CG2 3.97Å; A159-T327 WeakPolarHBondContact CA-OG1 3.23Å; K162-T327 HydrophobicContact CB-CG2 4.3Å; K323-T327 PolarHBondContact O-OG1 2.76Å; L324-T327 VanDerWaalsContact O-CB 3.26Å; L324-T327 WeakPolarHBondContact O-CB 3.23Å; L324-T327 PolarHBondContact O-N 3.19Å; Q325-T327 PolarHBondContact O-N 3.18Å |
| 328 | F | 97.7 | Very high | 96 | Very high | 38 Ų | 38 | 70.1 Ų | 70.1 | 17% | 0.167 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -122 | -5.1 | -169.8 | -56.9 | -64.2 | 0 | 0 | 0 | 114.8 | V155 L158 L324 Q325 V330 I351 | V155-F328 HydrophobicContact CG1-CE2 3.98Å; V155-F328 HydrophobicContact CG1-CZ 4.35Å; V155-F328 HydrophobicContact CG2-CE2 4.4Å; V155-F328 HydrophobicContact CG2-CZ 4.12Å; L158-F328 HydrophobicContact CB-CZ 4.21Å; L158-F328 HydrophobicContact CD1-CE1 3.98Å; L158-F328 HydrophobicContact CD1-CZ 3.94Å; L324-F328 HydrophobicContact CD1-CE2 4.33Å; L324-F328 HydrophobicContact CG-CD2 4.47Å; L324-F328 HydrophobicContact CG-CE2 4.38Å; L324-F328 WeakPolarHBondContact O-CD2 3.36Å; L324-F328 PolarHBondContact O-N 3.21Å; Q325-F328 PolarHBondContact O-N 2.97Å; Q325-F328 VanDerWaalsContact O-N 3.13Å; F328-V330 PolarHBondContact O-N 3.08Å; F328-I351 HydrophobicContact CE1-CG1 4.03Å; F328-I351 HydrophobicContact CZ-CG1 4.31Å |
| 329 | S | 93.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 73.8 Ų | 73.8 | 47% | 0.469 | 36% | 0.362 | S | S | . | . | trans | -62.2 | 121.7 | -178.2 | -78.9 | 0 | 0 | 0 | 0 | 112.3 | Q325 | Q325-S329 WeakPolarHBondContact O-CB 3.42Å; Q325-S329 PolarHBondContact O-N 2.79Å; Q325-S329 PolarHBondContact O-OG 3.22Å | ||
| 330 | V | 91.6 | Very high | 95.3 | Very high | 91 Ų | 91 | 73 Ų | 73 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | trans | -131.2 | 141.2 | 165.1 | -66.2 | 0 | 0 | 0 | 0 | 107.4 | F328 P332 M347 H348 | F328-V330 PolarHBondContact O-N 3.08Å; V330-P332 WeakPolarHBondContact O-CD 3.46Å; V330-M347 HydrophobicContact CG2-CE 4.08Å; V330-H348 PolarHBondContact O-CE1 2.92Å | ||
| 331 | D | 92.2 | Very high | 94.6 | Very high | 106 Ų | 106 | 83.8 Ų | 83.8 | 57% | 0.567 | 40% | 0.403 | S | S | * | . | trans | -127.8 | 59.8 | -171.5 | -178.7 | 30.7 | 0 | 0 | 0 | 112.9 | R336 | D331-R336 VanDerWaalsContact CG-NE 3.31Å; D331-R336 PolarHBondContact O-NH2 3.33Å; D331-R336 VanDerWaalsContact OD1-CG 3.25Å; D331-R336 WeakPolarHBondContact OD1-CG 3.5Å; D331-R336 IonicContact OD1-CZ 3.4Å; D331-R336 IonicContact OD1-NE 2.84Å; D331-R336 PolarHBondContact OD1-NE 3.48Å; D331-R336 IonicContact OD1-NH2 3.66Å; D331-R336 IonicContact OD2-CZ 2.68Å; D331-R336 VanDerWaalsContact OD2-CZ 3.29Å; D331-R336 IonicContact OD2-NE 3.62Å; D331-R336 PolarHBondContact OD2-NE 3.19Å; D331-R336 VanDerWaalsContact OD2-NE 3.14Å; D331-R336 IonicContact OD2-NH2 3.71Å; D331-R336 PolarHBondContact OD2-NH2 3.15Å | ||
| 332 | P | 93.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 84.9 Ų | 84.9 | 20% | 0.201 | 43% | 0.429 | C | S | . | . | trans | -71.6 | 142.7 | 173 | 32 | -34.6 | 0 | 0 | 0 | 110.8 | V330 Y334 L335 | V330-P332 WeakPolarHBondContact O-CD 3.46Å; P332-Y334 HydrophobicContact CB-CD1 3.96Å; P332-Y334 HydrophobicContact CB-CE1 3.47Å; P332-Y334 VanDerWaalsContact CB-CE1 3.47Å; P332-Y334 HydrophobicContact CB-CE2 4.12Å; P332-Y334 HydrophobicContact CB-CG 4.46Å; P332-Y334 HydrophobicContact CG-CD2 4.43Å; P332-Y334 HydrophobicContact CG-CE1 4.12Å; P332-Y334 HydrophobicContact CG-CE2 3.84Å; P332-Y334 PolarHBondContact O-N 2.9Å; P332-L335 HydrophobicContact CG-CB 4.18Å; P332-L335 HydrophobicContact CG-CD1 3.54Å; P332-L335 HydrophobicContact CG-CG 3.77Å; P332-L335 PolarHBondContact O-N 2.63Å | ||
| 333 | V | 94.3 | Very high | 94 | Very high | 109 Ų | 109 | 81.5 Ų | 81.5 | 66% | 0.661 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -54.2 | -34.5 | -175.2 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | L335 R336 | V333-L335 PolarHBondContact O-N 3.01Å; V333-R336 PolarHBondContact O-N 3.13Å |
| 334 | Y | 92.2 | Very high | 94 | Very high | 191 Ų | 191 | 79.9 Ų | 79.9 | 75% | 0.749 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -74.2 | -4.2 | -178.4 | 59.8 | -103 | 0 | 0 | 0 | 114.8 | P332 | P332-Y334 HydrophobicContact CB-CD1 3.96Å; P332-Y334 HydrophobicContact CB-CE1 3.47Å; P332-Y334 VanDerWaalsContact CB-CE1 3.47Å; P332-Y334 HydrophobicContact CB-CE2 4.12Å; P332-Y334 HydrophobicContact CB-CG 4.46Å; P332-Y334 HydrophobicContact CG-CD2 4.43Å; P332-Y334 HydrophobicContact CG-CE1 4.12Å; P332-Y334 HydrophobicContact CG-CE2 3.84Å; P332-Y334 PolarHBondContact O-N 2.9Å |
| 335 | L | 95.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 80.4 Ų | 80.4 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -107.3 | -8.7 | 173.1 | -61 | -179.6 | 0 | 0 | 0 | 113.2 | F103 P332 V333 M347 L353 | F103-L335 HydrophobicContact CD2-CD2 4.09Å; F103-L335 HydrophobicContact CE2-CD2 3.66Å; F103-L335 HydrophobicContact CZ-CD2 4.24Å; P332-L335 HydrophobicContact CG-CB 4.18Å; P332-L335 HydrophobicContact CG-CD1 3.54Å; P332-L335 HydrophobicContact CG-CG 3.77Å; P332-L335 PolarHBondContact O-N 2.63Å; V333-L335 PolarHBondContact O-N 3.01Å; L335-M347 HydrophobicContact CD1-CE 3.56Å; L335-M347 HydrophobicContact CD1-SD 4Å; L335-L353 HydrophobicContact CD1-CD1 3.71Å; L335-L353 HydrophobicContact CD1-CD2 4.37Å; L335-L353 HydrophobicContact CD2-CD1 4.36Å; L335-L353 HydrophobicContact CD2-CD2 4.33Å |
| 336 | R | 94.3 | Very high | 94.2 | Very high | 132 Ų | 132 | 78.3 Ų | 78.3 | 50% | 0.498 | 41% | 0.406 | S | S | . | . | trans | -71.9 | 149.5 | -179 | -66.3 | -179.3 | -178.9 | 164 | 0.3 | 111.7 | D331 V333 | D331-R336 VanDerWaalsContact CG-NE 3.31Å; D331-R336 PolarHBondContact O-NH2 3.33Å; D331-R336 VanDerWaalsContact OD1-CG 3.25Å; D331-R336 WeakPolarHBondContact OD1-CG 3.5Å; D331-R336 IonicContact OD1-CZ 3.4Å; D331-R336 IonicContact OD1-NE 2.84Å; D331-R336 PolarHBondContact OD1-NE 3.48Å; D331-R336 IonicContact OD1-NH2 3.66Å; D331-R336 IonicContact OD2-CZ 2.68Å; D331-R336 VanDerWaalsContact OD2-CZ 3.29Å; D331-R336 IonicContact OD2-NE 3.62Å; D331-R336 PolarHBondContact OD2-NE 3.19Å; D331-R336 VanDerWaalsContact OD2-NE 3.14Å; D331-R336 IonicContact OD2-NH2 3.71Å; D331-R336 PolarHBondContact OD2-NH2 3.15Å; V333-R336 PolarHBondContact O-N 3.13Å | ||
| 337 | H | 96.6 | Very high | 94.2 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | trans | -146.5 | 168.6 | 171.6 | 59.6 | 90.8 | 0 | 0 | 0 | 110.9 | A106 N339 S340 D345 | A106-H337 HydrophobicContact CB-CB 3.62Å; A106-H337 VanDerWaalsContact CB-CG 3.44Å; H337-N339 PolarHBondContact ND1-N 3.19Å; H337-N339 PolarHBondContact O-N 2.75Å; H337-N339 VanDerWaalsContact O-N 3.13Å; H337-S340 PolarHBondContact CD2-OG 3.38Å; H337-S340 PolarHBondContact CE1-N 2.97Å; H337-S340 VanDerWaalsContact CE1-N 3.26Å; H337-S340 PolarHBondContact N-OG 2.9Å; H337-S340 VanDerWaalsContact N-OG 3.07Å; H337-S340 PolarHBondContact ND1-N 3.4Å; H337-S340 PolarHBondContact NE2-OG 3.47Å; H337-S340 PolarHBondContact O-N 3.05Å; H337-S340 VanDerWaalsContact O-N 3.15Å; H337-S340 PolarHBondContact O-OG 3.33Å; H337-D345 IonicContact CE1-OD1 2.86Å; H337-D345 IonicContact NE2-OD1 2.94Å; H337-D345 PolarHBondContact NE2-OD1 3.46Å; H337-D345 IonicContact NE2-OD2 3.99Å; H337-D345 PolarHBondContact NE2-OD2 2.72Å | ||
| 338 | E | 94.6 | Very high | 94.2 | Very high | 196 Ų | 196 | 75.4 Ų | 75.4 | 92% | 0.916 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.7 | -175 | -63.1 | -179.8 | 167.8 | 0 | 0 | 113 | ||
| 339 | N | 95.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 73.6 Ų | 73.6 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 8.2 | -178.4 | -59.7 | -55.5 | 0 | 0 | 0 | 115.4 | W105 H337 R341 G342 A343 | W105-N339 HydrophobicContact CE3-CB 4.34Å; W105-N339 HydrophobicContact CZ3-CB 4.45Å; W105-N339 VanDerWaalsContact CZ3-ND2 3.27Å; W105-N339 WeakPolarHBondContact CZ3-ND2 3.39Å; H337-N339 PolarHBondContact ND1-N 3.19Å; H337-N339 PolarHBondContact O-N 2.75Å; H337-N339 VanDerWaalsContact O-N 3.13Å; N339-R341 PolarHBondContact O-N 3.36Å; N339-G342 PolarHBondContact O-N 2.79Å; N339-A343 HydrophobicContact CB-CB 4.05Å; N339-A343 WeakPolarHBondContact O-CB 3.41Å; N339-A343 PolarHBondContact O-N 2.68Å |
| 340 | S | 88.6 | Confident | 94.5 | Very high | 48 Ų | 48 | 70.6 Ų | 70.6 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.7 | -172.5 | -63.7 | 0 | 0 | 0 | 0 | 114.8 | H337 | H337-S340 PolarHBondContact CD2-OG 3.38Å; H337-S340 PolarHBondContact CE1-N 2.97Å; H337-S340 VanDerWaalsContact CE1-N 3.26Å; H337-S340 PolarHBondContact N-OG 2.9Å; H337-S340 VanDerWaalsContact N-OG 3.07Å; H337-S340 PolarHBondContact ND1-N 3.4Å; H337-S340 PolarHBondContact NE2-OG 3.47Å; H337-S340 PolarHBondContact O-N 3.05Å; H337-S340 VanDerWaalsContact O-N 3.15Å; H337-S340 PolarHBondContact O-OG 3.33Å |
| 341 | R | 84.7 | Confident | 94.8 | Very high | 260 Ų | 260 | 70.5 Ų | 70.5 | 98% | 0.981 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -18.2 | 175.6 | -65.8 | -174 | 179.7 | -173.8 | -0.1 | 114.4 | N339 | N339-R341 PolarHBondContact O-N 3.36Š|
| 342 | G | 88 | Confident | 95.1 | Very high | 76 Ų | 76 | 68.4 Ų | 68.4 | 78% | 0.784 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -23.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N339 | N339-G342 PolarHBondContact O-N 2.79Š|
| 343 | A | 95.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 70.4 Ų | 70.4 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -95.3 | 161.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W105 N339 | W105-A343 HydrophobicContact CB-CB 3.58Å; W105-A343 HydrophobicContact CD2-CB 4Å; W105-A343 HydrophobicContact CE3-CB 4.49Å; W105-A343 HydrophobicContact CG-CB 3.59Å; N339-A343 HydrophobicContact CB-CB 4.05Å; N339-A343 WeakPolarHBondContact O-CB 3.41Å; N339-A343 PolarHBondContact O-N 2.68Å |
| 344 | T | 97.8 | Very high | 95.5 | Very high | 19 Ų | 19 | 68.7 Ų | 68.7 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | trans | -88.9 | 116.8 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | T112 M116 F346 W349 | T112-T344 VanDerWaalsContact CG2-O 3.31Å; T112-T344 WeakPolarHBondContact CG2-O 3.15Å; M116-T344 HydrophobicContact SD-CG2 4.29Å; T344-F346 HydrophobicContact CG2-CD1 3.97Å; T344-F346 HydrophobicContact CG2-CE1 3.83Å; T344-F346 HydrophobicContact CG2-CG 4.39Å; T344-F346 HydrophobicContact CG2-CZ 4.14Å; T344-W349 HydrophobicContact CG2-CZ2 3.96Å | ||
| 345 | D | 98.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | trans | -101.3 | 102.3 | 171.7 | -66.2 | -31.7 | 0 | 0 | 0 | 110.2 | S104 W105 H337 M347 H348 | S104-D345 WeakPolarHBondContact CA-OD1 3.41Å; S104-D345 VanDerWaalsContact CB-OD1 3.25Å; S104-D345 WeakPolarHBondContact CB-OD1 3.49Å; W105-D345 PolarHBondContact N-OD1 3.22Å; H337-D345 IonicContact CE1-OD1 2.86Å; H337-D345 IonicContact NE2-OD1 2.94Å; H337-D345 PolarHBondContact NE2-OD1 3.46Å; H337-D345 IonicContact NE2-OD2 3.99Å; H337-D345 PolarHBondContact NE2-OD2 2.72Å; D345-M347 HydrophobicContact CB-CG 4.21Å; D345-M347 PolarHBondContact O-N 3.45Å; D345-H348 PolarHBondContact O-N 3.47Å; D345-H348 VanDerWaalsContact O-N 3.17Å | ||
| 346 | F | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -66.7 | -15.7 | -175.7 | -79.6 | -51.3 | 0 | 0 | 0 | 113.8 | T112 E115 M116 L144 T344 H348 W349 Q350 | T112-F346 HydrophobicContact CG2-CD2 3.95Å; T112-F346 HydrophobicContact CG2-CE2 3.76Å; E115-F346 HydrophobicContact CB-CE2 4.09Å; E115-F346 HydrophobicContact CG-CE2 4.21Å; E115-F346 HydrophobicContact CG-CZ 4.42Å; M116-F346 HydrophobicContact CG-CE2 4.07Å; M116-F346 HydrophobicContact CG-CZ 3.65Å; L144-F346 HydrophobicContact CB-CD1 3.85Å; L144-F346 HydrophobicContact CB-CE1 3.74Å; L144-F346 HydrophobicContact CB-CZ 4.45Å; L144-F346 HydrophobicContact CD1-CD1 4.43Å; T344-F346 HydrophobicContact CG2-CD1 3.97Å; T344-F346 HydrophobicContact CG2-CE1 3.83Å; T344-F346 HydrophobicContact CG2-CG 4.39Å; T344-F346 HydrophobicContact CG2-CZ 4.14Å; F346-H348 PolarHBondContact O-N 3.48Å; F346-H348 VanDerWaalsContact O-N 3.14Å; F346-W349 HydrophobicContact CD1-CB 4.39Å; F346-W349 HydrophobicContact CD1-CD2 4.17Å; F346-W349 HydrophobicContact CD1-CG 4.06Å; F346-W349 HydrophobicContact CE1-CD2 4.42Å; F346-W349 WeakPolarHBondContact O-CB 3.18Å; F346-W349 PolarHBondContact O-N 3.33Å; F346-Q350 WeakPolarHBondContact O-CG 3.39Å |
| 347 | M | 98.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -55.3 | -27.9 | 170.1 | 61.4 | 174.9 | -79.4 | 0 | 0 | 113.2 | F103 V330 L335 D345 W349 L353 | F103-M347 HydrophobicContact CB-CB 4.3Å; F103-M347 HydrophobicContact CD2-SD 4.47Å; F103-M347 VanDerWaalsContact O-CB 3.3Å; F103-M347 WeakPolarHBondContact O-CB 3.23Å; F103-M347 WeakPolarHBondContact O-CG 3.14Å; F103-M347 PolarHBondContact O-N 3Å; V330-M347 HydrophobicContact CG2-CE 4.08Å; L335-M347 HydrophobicContact CD1-CE 3.56Å; L335-M347 HydrophobicContact CD1-SD 4Å; D345-M347 HydrophobicContact CB-CG 4.21Å; D345-M347 PolarHBondContact O-N 3.45Å; M347-W349 VanDerWaalsContact C-N 3.25Å; M347-W349 PolarHBondContact O-N 3.32Å; M347-L353 HydrophobicContact CB-CD1 4Å; M347-L353 HydrophobicContact CE-CD1 3.77Å; M347-L353 HydrophobicContact SD-CD1 3.76Å |
| 348 | H | 97.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -83.6 | 2.3 | 178.1 | -56 | -46.7 | 0 | 0 | 0 | 113.8 | L324 Q325 V330 D345 F346 | L324-H348 CarbonylContact C-O 3.51Å; Q325-H348 WeakPolarHBondContact CA-O 3.32Å; Q325-H348 HydrophobicContact CB-CB 4.35Å; Q325-H348 HydrophobicContact CG-CB 3.87Å; V330-H348 PolarHBondContact O-CE1 2.92Å; D345-H348 PolarHBondContact O-N 3.47Å; D345-H348 VanDerWaalsContact O-N 3.17Å; F346-H348 PolarHBondContact O-N 3.48Å; F346-H348 VanDerWaalsContact O-N 3.14Å |
| 349 | W | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -113.9 | -1.3 | -176.5 | -62.6 | 60.7 | 0 | 0 | 0 | 112.3 | H134 L144 Q146 V318 K321 L324 T344 F346 M347 | H134-W349 AromaticContact CE1-CH2 3.81Å; L144-W349 HydrophobicContact CD1-CB 3.46Å; L144-W349 VanDerWaalsContact CD1-CB 3.46Å; L144-W349 HydrophobicContact CD2-CB 4.12Å; L144-W349 HydrophobicContact CD2-CE3 3.83Å; L144-W349 HydrophobicContact CG-CB 4.35Å; Q146-W349 PolarHBondContact NE2-O 3.42Å; V318-W349 HydrophobicContact CG2-CE3 4.16Å; V318-W349 HydrophobicContact CG2-CZ3 3.85Å; K321-W349 HydrophobicContact CB-CE3 4.35Å; K321-W349 HydrophobicContact CB-CH2 3.33Å; K321-W349 HydrophobicContact CB-CZ2 3.51Å; K321-W349 HydrophobicContact CB-CZ3 3.78Å; K321-W349 HydrophobicContact CD-CH2 3.8Å; K321-W349 HydrophobicContact CD-CZ2 3.65Å; K321-W349 HydrophobicContact CG-CH2 4.19Å; K321-W349 HydrophobicContact CG-CZ2 4.09Å; L324-W349 HydrophobicContact CD2-CB 3.59Å; L324-W349 HydrophobicContact CD2-CD2 4.01Å; L324-W349 HydrophobicContact CD2-CE3 3.67Å; L324-W349 HydrophobicContact CD2-CG 3.99Å; L324-W349 WeakPolarHBondContact CD2-O 3.42Å; L324-W349 HydrophobicContact CG-CB 4.44Å; T344-W349 HydrophobicContact CG2-CZ2 3.96Å; F346-W349 HydrophobicContact CD1-CB 4.39Å; F346-W349 HydrophobicContact CD1-CD2 4.17Å; F346-W349 HydrophobicContact CD1-CG 4.06Å; F346-W349 HydrophobicContact CE1-CD2 4.42Å; F346-W349 WeakPolarHBondContact O-CB 3.18Å; F346-W349 PolarHBondContact O-N 3.33Å; M347-W349 VanDerWaalsContact C-N 3.25Å; M347-W349 PolarHBondContact O-N 3.32Å |
| 350 | Q | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -143.6 | 167 | -172.3 | 66.7 | 176.3 | 37 | 0 | 0 | 110.8 | L144 F346 P352 L353 S354 | L144-Q350 HydrophobicContact CD1-CB 4.28Å; F346-Q350 WeakPolarHBondContact O-CG 3.39Å; Q350-P352 HydrophobicContact CG-CG 4.49Å; Q350-P352 VanDerWaalsContact CG-O 3.32Å; Q350-P352 WeakPolarHBondContact CG-O 3.33Å; Q350-P352 PolarHBondContact NE2-O 2.95Å; Q350-L353 PolarHBondContact NE2-O 3.46Å; Q350-S354 PolarHBondContact NE2-O 3.23Å |
| 351 | I | 98.7 | Very high | 97.2 | Very high | 88 Ų | 88 | 40.6 Ų | 40.6 | 45% | 0.451 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -71.8 | -50.9 | 179.6 | -63.1 | 169 | 0 | 0 | 0 | 112.7 | L154 V155 L158 F328 | L154-I351 HydrophobicContact CD2-CD1 3.68Å; L154-I351 HydrophobicContact CG-CD1 4.18Å; V155-I351 HydrophobicContact CG2-CD1 4.16Å; V155-I351 HydrophobicContact CG2-CG1 3.97Å; L158-I351 HydrophobicContact CD1-CD1 4.29Å; L158-I351 HydrophobicContact CD1-CG1 4.44Å; F328-I351 HydrophobicContact CE1-CG1 4.03Å; F328-I351 HydrophobicContact CZ-CG1 4.31Å |
| 352 | P | 98.6 | Very high | 97.9 | Very high | 63 Ų | 63 | 28.2 Ų | 28.2 | 41% | 0.409 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -82.2 | 161.9 | -178.4 | 32.2 | -34.7 | 0 | 0 | 0 | 112.6 | Q350 | Q350-P352 HydrophobicContact CG-CG 4.49Å; Q350-P352 VanDerWaalsContact CG-O 3.32Å; Q350-P352 WeakPolarHBondContact CG-O 3.33Å; Q350-P352 PolarHBondContact NE2-O 2.95Å |
| 353 | L | 98.5 | Very high | 98.4 | Very high | 72 Ų | 72 | 27.7 Ų | 27.7 | 38% | 0.377 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -71.1 | -63 | 171.5 | 176.8 | 64.3 | 0 | 0 | 0 | 111.1 | F103 L335 M347 Q350 | F103-L353 HydrophobicContact CB-CD1 3.88Å; F103-L353 HydrophobicContact CB-CG 4.13Å; F103-L353 WeakPolarHBondContact CB-O 3.46Å; F103-L353 HydrophobicContact CD2-CD1 4.26Å; F103-L353 HydrophobicContact CG-CD1 4.14Å; F103-L353 HydrophobicContact CG-CG 4.35Å; L335-L353 HydrophobicContact CD1-CD1 3.71Å; L335-L353 HydrophobicContact CD1-CD2 4.37Å; L335-L353 HydrophobicContact CD2-CD1 4.36Å; L335-L353 HydrophobicContact CD2-CD2 4.33Å; M347-L353 HydrophobicContact CB-CD1 4Å; M347-L353 HydrophobicContact CE-CD1 3.77Å; M347-L353 HydrophobicContact SD-CD1 3.76Å; Q350-L353 PolarHBondContact NE2-O 3.46Å |
| 354 | S | 98.6 | Very high | 98.6 | Very high | 74 Ų | 74 | 29.2 Ų | 29.2 | 52% | 0.517 | 15% | 0.149 | S | C | . | . | trans | -70.7 | 146.2 | -173.2 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | Q350 | Q350-S354 PolarHBondContact NE2-O 3.23Š| ||
| 355 | R | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | trans | -151.1 | 143.7 | 173.5 | 52 | -174 | -57.7 | -63.3 | -10.9 | 110.1 | V101 G102 C111 E115 | V101-R355 WeakPolarHBondContact CA-O 2.96Å; G102-R355 PolarHBondContact N-O 3.01Å; G102-R355 WeakPolarHBondContact O-CD 3.34Å; G102-R355 WeakPolarHBondContact O-CG 3.46Å; G102-R355 PolarHBondContact O-NH1 3.15Å; C111-R355 PolarHBondContact SG-NH1 3.38Å; C111-R355 VanDerWaalsContact SG-NH1 3.4Å; E115-R355 IonicContact OE1-CZ 3.53Å; E115-R355 IonicContact OE1-NH2 2.75Å; E115-R355 PolarHBondContact OE1-NH2 3.4Å; E115-R355 IonicContact OE2-CZ 3.51Å; E115-R355 IonicContact OE2-NH2 3.5Å; E115-R355 PolarHBondContact OE2-NH2 3.17Å | ||
| 356 | R | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 29 Ų | 29 | 22% | 0.223 | 15% | 0.146 | C | C | . | . | trans | -94.3 | 171.5 | -177.1 | 71.3 | -177.3 | -165.9 | 83.5 | -7.5 | 111.9 | D92 D312 R358 | D92-R356 IonicContact OD1-CZ 3.61Å; D92-R356 IonicContact OD1-NH1 2.7Å; D92-R356 PolarHBondContact OD1-NH1 3.39Å; D92-R356 IonicContact OD1-NH2 3.91Å; D92-R356 IonicContact OD2-CZ 2.78Å; D92-R356 IonicContact OD2-NH1 3.78Å; D92-R356 PolarHBondContact OD2-NH1 3.41Å; D92-R356 IonicContact OD2-NH2 2.87Å; D92-R356 PolarHBondContact OD2-NH2 3.09Å; D312-R356 PolarHBondContact O-NH2 3.14Å; D312-R356 IonicContact OD1-CZ 2.87Å; D312-R356 IonicContact OD1-NE 3.35Å; D312-R356 PolarHBondContact OD1-NE 3.36Å; D312-R356 VanDerWaalsContact OD1-NE 3.12Å; D312-R356 IonicContact OD1-NH2 3.88Å; D312-R356 PolarHBondContact OD1-NH2 3.16Å; D312-R356 IonicContact OD2-NE 3.54Å; R356-R358 HydrophobicContact CG-CG 3.64Å; R356-R358 PolarHBondContact O-N 2.94Å | ||
| 357 | F | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 7% | 0.066 | 18% | 0.175 | C | C | . | . | trans | -78.8 | 56.5 | -176.8 | -157.8 | -5.8 | 0 | 0 | 0 | 114.4 | A95 A110 C111 L114 S359 L360 | A95-F357 HydrophobicContact CB-CB 4.24Å; A110-F357 HydrophobicContact CB-CE2 4.38Å; A110-F357 HydrophobicContact CB-CZ 4.16Å; A110-F357 WeakPolarHBondContact O-CE1 3.49Å; A110-F357 WeakPolarHBondContact O-CZ 3.34Å; C111-F357 HydrophobicContact CB-CD1 4.21Å; C111-F357 HydrophobicContact CB-CE1 4.48Å; C111-F357 HydrophobicContact CB-CG 4.3Å; L114-F357 HydrophobicContact CB-CE1 3.99Å; L114-F357 HydrophobicContact CB-CZ 4.31Å; L114-F357 HydrophobicContact CD2-CE1 3.62Å; L114-F357 HydrophobicContact CD2-CZ 3.86Å; L114-F357 HydrophobicContact CG-CE1 4.35Å; F357-S359 VanDerWaalsContact C-N 3.29Å; F357-S359 WeakPolarHBondContact CD1-OG 3.28Å; F357-S359 VanDerWaalsContact CE1-OG 3.29Å; F357-S359 WeakPolarHBondContact CE1-OG 3.34Å; F357-S359 PolarHBondContact O-N 2.87Å; F357-L360 HydrophobicContact CD1-CB 4.17Å; F357-L360 HydrophobicContact CE1-CB 4.32Å; F357-L360 HydrophobicContact CG-CB 4.39Å; F357-L360 PolarHBondContact O-N 3.17Å | ||
| 358 | R | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.6 | -175.7 | -59.5 | -171.8 | 178 | 103.4 | -4.3 | 114.3 | L145 S147 D312 R356 L360 K361 | L145-R358 HydrophobicContact CB-CB 4.32Å; L145-R358 HydrophobicContact CD1-CB 3.68Å; L145-R358 PolarHBondContact O-NH1 2.89Å; S147-R358 PolarHBondContact OG-NH2 2.77Å; D312-R358 IonicContact OD1-NE 3.84Å; D312-R358 IonicContact OD2-CZ 3.7Å; D312-R358 VanDerWaalsContact OD2-CZ 3.23Å; D312-R358 IonicContact OD2-NE 3.12Å; D312-R358 PolarHBondContact OD2-NE 2.82Å; D312-R358 IonicContact OD2-NH2 2.7Å; D312-R358 PolarHBondContact OD2-NH2 2.79Å; R356-R358 HydrophobicContact CG-CG 3.64Å; R356-R358 PolarHBondContact O-N 2.94Å; R358-L360 PolarHBondContact O-N 3.38Å; R358-L360 VanDerWaalsContact O-N 3.16Å; R358-K361 VanDerWaalsContact O-CG 3.27Å; R358-K361 WeakPolarHBondContact O-CG 3.46Å; R358-K361 PolarHBondContact O-N 3.49Å |
| 359 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -20.6 | -176.3 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | E115 F357 L362 W363 | E115-S359 PolarHBondContact N-OG 3.19Å; F357-S359 VanDerWaalsContact C-N 3.29Å; F357-S359 WeakPolarHBondContact CD1-OG 3.28Å; F357-S359 VanDerWaalsContact CE1-OG 3.29Å; F357-S359 WeakPolarHBondContact CE1-OG 3.34Å; F357-S359 PolarHBondContact O-N 2.87Å; S359-L362 PolarHBondContact O-N 2.77Å; S359-W363 WeakPolarHBondContact O-CB 3.49Å; S359-W363 PolarHBondContact O-N 3.36Å |
| 360 | L | 98.8 | Very high | 98.8 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -47.2 | 179.5 | -168 | 61.8 | 0 | 0 | 0 | 112.5 | L94 A95 L114 F357 R358 W363 F364 | L94-L360 HydrophobicContact CB-CD2 3.92Å; L94-L360 HydrophobicContact CD2-CD2 3.92Å; L94-L360 HydrophobicContact CG-CD2 3.78Å; A95-L360 HydrophobicContact CB-CB 4.48Å; A95-L360 HydrophobicContact CB-CD2 4.06Å; L114-L360 HydrophobicContact CD2-CD1 4.01Å; F357-L360 HydrophobicContact CD1-CB 4.17Å; F357-L360 HydrophobicContact CE1-CB 4.32Å; F357-L360 HydrophobicContact CG-CB 4.39Å; F357-L360 PolarHBondContact O-N 3.17Å; R358-L360 PolarHBondContact O-N 3.38Å; R358-L360 VanDerWaalsContact O-N 3.16Å; L360-W363 HydrophobicContact CD1-CE3 4.08Å; L360-W363 HydrophobicContact CD1-CZ3 4.46Å; L360-W363 PolarHBondContact O-N 3.45Å; L360-F364 HydrophobicContact CD1-CD1 4.27Å; L360-F364 HydrophobicContact CD1-CE1 3.79Å; L360-F364 HydrophobicContact CG-CD1 4.47Å; L360-F364 HydrophobicContact CG-CE1 4.17Å; L360-F364 WeakPolarHBondContact O-CD1 3.34Å; L360-F364 PolarHBondContact O-N 2.75Å |
| 361 | K | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -36.2 | 175.6 | 62.6 | 169.9 | 168.9 | -169.9 | 0 | 113.4 | S88 D92 V309 H310 D312 R358 F364 V365 | S88-K361 WeakPolarHBondContact O-CB 3.43Å; D92-K361 HydrophobicContact CB-CD 4.36Å; D92-K361 WeakPolarHBondContact OD1-CD 3.5Å; D92-K361 WeakPolarHBondContact OD2-CD 3.33Å; D92-K361 WeakPolarHBondContact OD2-CE 3.35Å; D92-K361 IonicContact OD2-NZ 3.67Å; D92-K361 PolarHBondContact OD2-NZ 3.41Å; V309-K361 HydrophobicContact CG1-CD 3.87Å; V309-K361 HydrophobicContact CG1-CG 3.98Å; H310-K361 PolarHBondContact CD2-NZ 3.3Å; H310-K361 WeakPolarHBondContact CE1-CD 3.48Å; H310-K361 PolarHBondContact NE2-NZ 3.06Å; H310-K361 WeakPolarHBondContact O-CE 3.26Å; H310-K361 PolarHBondContact O-NZ 3.42Å; D312-K361 WeakPolarHBondContact O-CE 3.32Å; D312-K361 PolarHBondContact O-NZ 2.83Å; R358-K361 VanDerWaalsContact O-CG 3.27Å; R358-K361 WeakPolarHBondContact O-CG 3.46Å; R358-K361 PolarHBondContact O-N 3.49Å; K361-F364 PolarHBondContact O-N 2.89Å; K361-V365 WeakPolarHBondContact O-CG2 3.25Å; K361-V365 PolarHBondContact O-N 3.02Å; K361-V365 VanDerWaalsContact O-N 3.08Å |
| 362 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 174.6 | 176 | 60.9 | 0 | 0 | 0 | 110.7 | V118 L122 L145 P303 M307 V309 S359 F364 V365 M366 | V118-L362 HydrophobicContact CG1-CB 4.38Å; V118-L362 HydrophobicContact CG1-CD2 3.58Å; V118-L362 HydrophobicContact CG1-CG 3.65Å; L122-L362 HydrophobicContact CD2-CD2 4.14Å; L145-L362 HydrophobicContact CD1-CD2 4.24Å; L145-L362 HydrophobicContact CD2-CD2 4.01Å; P303-L362 HydrophobicContact CB-CD1 4.32Å; P303-L362 HydrophobicContact CG-CD1 4.47Å; M307-L362 HydrophobicContact CE-CD1 3.81Å; M307-L362 HydrophobicContact SD-CD1 4.02Å; V309-L362 HydrophobicContact CG2-CD1 3.86Å; S359-L362 PolarHBondContact O-N 2.77Å; L362-F364 PolarHBondContact O-N 3.37Å; L362-V365 PolarHBondContact O-N 3.31Å; L362-M366 HydrophobicContact CD1-CG 4.25Å; L362-M366 HydrophobicContact CD1-SD 4.29Å; L362-M366 HydrophobicContact CG-SD 4.38Å; L362-M366 WeakPolarHBondContact O-CG 3.25Å; L362-M366 PolarHBondContact O-N 3.44Å |
| 363 | W | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 176.9 | -174.8 | 61.7 | 0 | 0 | 0 | 112.1 | L114 V118 W121 S359 L360 M366 R367 | L114-W363 HydrophobicContact CD1-CB 4.44Å; L114-W363 HydrophobicContact CD1-CD2 4.11Å; L114-W363 HydrophobicContact CD1-CG 3.96Å; L114-W363 HydrophobicContact CD2-CB 4.3Å; L114-W363 HydrophobicContact CD2-CD2 4.48Å; L114-W363 HydrophobicContact CD2-CE3 4.5Å; L114-W363 HydrophobicContact CD2-CG 4.44Å; V118-W363 HydrophobicContact CG2-CB 3.95Å; V118-W363 HydrophobicContact CG2-CG 4.05Å; W121-W363 AromaticContact CH2-NE1 3.71Å; W121-W363 AromaticContact CZ3-CD1 3.69Å; W121-W363 AromaticContact CZ3-NE1 3.72Å; S359-W363 WeakPolarHBondContact O-CB 3.49Å; S359-W363 PolarHBondContact O-N 3.36Å; L360-W363 HydrophobicContact CD1-CE3 4.08Å; L360-W363 HydrophobicContact CD1-CZ3 4.46Å; L360-W363 PolarHBondContact O-N 3.45Å; W363-M366 PolarHBondContact O-N 3.13Å; W363-R367 WeakPolarHBondContact O-CB 3.42Å; W363-R367 WeakPolarHBondContact O-CG 3.46Å; W363-R367 PolarHBondContact O-N 2.8Å |
| 364 | F | 98.9 | Very high | 98.8 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 25% | 0.25 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.7 | -87.7 | 44.5 | 0 | 0 | 0 | 111.6 | P87 L90 L94 L360 K361 L362 R367 S368 | P87-F364 HydrophobicContact CB-CB 4.27Å; P87-F364 WeakPolarHBondContact O-CB 2.9Å; L90-F364 HydrophobicContact CB-CD2 4.31Å; L90-F364 HydrophobicContact CB-CE2 4.42Å; L94-F364 HydrophobicContact CD2-CZ 4.26Å; L360-F364 HydrophobicContact CD1-CD1 4.27Å; L360-F364 HydrophobicContact CD1-CE1 3.79Å; L360-F364 HydrophobicContact CG-CD1 4.47Å; L360-F364 HydrophobicContact CG-CE1 4.17Å; L360-F364 WeakPolarHBondContact O-CD1 3.34Å; L360-F364 PolarHBondContact O-N 2.75Å; K361-F364 PolarHBondContact O-N 2.89Å; L362-F364 PolarHBondContact O-N 3.37Å; F364-R367 PolarHBondContact O-N 2.82Å; F364-S368 WeakPolarHBondContact O-CB 3.34Å; F364-S368 PolarHBondContact O-N 2.71Å |
| 365 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -50.4 | 177.6 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | P87 V309 K361 L362 R367 S368 F369 L374 | P87-V365 HydrophobicContact CB-CG2 4.46Å; P87-V365 HydrophobicContact CG-CG2 4.2Å; V309-V365 HydrophobicContact CG2-CB 3.98Å; V309-V365 HydrophobicContact CG2-CG1 3.88Å; V309-V365 HydrophobicContact CG2-CG2 3.95Å; K361-V365 WeakPolarHBondContact O-CG2 3.25Å; K361-V365 PolarHBondContact O-N 3.02Å; K361-V365 VanDerWaalsContact O-N 3.08Å; L362-V365 PolarHBondContact O-N 3.31Å; V365-R367 VanDerWaalsContact C-N 3.32Å; V365-R367 PolarHBondContact O-N 3.02Å; V365-S368 PolarHBondContact O-N 3.27Å; V365-F369 HydrophobicContact CG1-CD2 3.85Å; V365-F369 HydrophobicContact CG1-CE2 4.23Å; V365-F369 WeakPolarHBondContact O-CD2 3.18Å; V365-F369 PolarHBondContact O-N 3.09Å; V365-L374 HydrophobicContact CG1-CD2 4.43Å |
| 366 | M | 98.8 | Very high | 98.8 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | -179.6 | -70.8 | -172.1 | 79.2 | 0 | 0 | 112.4 | V118 W121 L122 M307 L362 W363 G370 | V118-M366 HydrophobicContact CG1-SD 4.05Å; W121-M366 HydrophobicContact CB-CE 3.97Å; L122-M366 HydrophobicContact CD1-CE 4.26Å; L122-M366 HydrophobicContact CD1-SD 4.32Å; M307-M366 HydrophobicContact CE-CG 3.5Å; M307-M366 VanDerWaalsContact CE-CG 3.5Å; M307-M366 HydrophobicContact CE-SD 4.04Å; L362-M366 HydrophobicContact CD1-CG 4.25Å; L362-M366 HydrophobicContact CD1-SD 4.29Å; L362-M366 HydrophobicContact CG-SD 4.38Å; L362-M366 WeakPolarHBondContact O-CG 3.25Å; L362-M366 PolarHBondContact O-N 3.44Å; W363-M366 PolarHBondContact O-N 3.13Å; M366-G370 VanDerWaalsContact O-CA 3.22Å; M366-G370 WeakPolarHBondContact O-CA 3.47Å; M366-G370 PolarHBondContact O-N 2.86Å |
| 367 | R | 98.9 | Very high | 98.8 | Very high | 160 Ų | 160 | 45.1 Ų | 45.1 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -75.1 | -39.5 | 178.9 | -71.5 | -171.1 | 68.8 | -164.8 | 3.2 | 113.5 | W121 W363 F364 V365 | W121-R367 HydrophobicContact CZ3-CG 4.21Å; W363-R367 WeakPolarHBondContact O-CB 3.42Å; W363-R367 WeakPolarHBondContact O-CG 3.46Å; W363-R367 PolarHBondContact O-N 2.8Å; F364-R367 PolarHBondContact O-N 2.82Å; V365-R367 VanDerWaalsContact C-N 3.32Å; V365-R367 PolarHBondContact O-N 3.02Å |
| 368 | S | 98.9 | Very high | 98.9 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -73.1 | -45.1 | -175.9 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | F364 V365 | F364-S368 WeakPolarHBondContact O-CB 3.34Å; F364-S368 PolarHBondContact O-N 2.71Å; V365-S368 PolarHBondContact O-N 3.27Å |
| 369 | F | 98.9 | Very high | 98.9 | Very high | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -79.7 | -41.9 | 175.9 | -72.9 | -75.6 | 0 | 0 | 0 | 111.6 | P87 M308 V365 N373 L374 | P87-F369 HydrophobicContact CG-CD2 4.1Å; P87-F369 HydrophobicContact CG-CE2 3.6Å; P87-F369 HydrophobicContact CG-CZ 4.34Å; M308-F369 HydrophobicContact CB-CE2 4.49Å; M308-F369 HydrophobicContact CE-CD1 3.94Å; M308-F369 HydrophobicContact CE-CD2 4Å; M308-F369 HydrophobicContact CE-CE1 3.76Å; M308-F369 HydrophobicContact CE-CE2 3.81Å; M308-F369 HydrophobicContact CE-CG 4.05Å; M308-F369 HydrophobicContact CE-CZ 3.69Å; M308-F369 HydrophobicContact SD-CE1 4.14Å; M308-F369 HydrophobicContact SD-CE2 4.31Å; M308-F369 HydrophobicContact SD-CZ 3.82Å; V365-F369 HydrophobicContact CG1-CD2 3.85Å; V365-F369 HydrophobicContact CG1-CE2 4.23Å; V365-F369 WeakPolarHBondContact O-CD2 3.18Å; V365-F369 PolarHBondContact O-N 3.09Å; F369-N373 HydrophobicContact CB-CB 4.23Å; F369-N373 HydrophobicContact CD1-CB 4.38Å; F369-N373 VanDerWaalsContact O-CB 3.31Å; F369-N373 WeakPolarHBondContact O-CB 3.25Å; F369-N373 PolarHBondContact O-ND2 3.08Å; F369-L374 HydrophobicContact CB-CD2 3.97Å; F369-L374 HydrophobicContact CB-CG 4.06Å; F369-L374 HydrophobicContact CD2-CD2 4.31Å; F369-L374 HydrophobicContact CG-CD2 4.21Å |
| 370 | G | 98.7 | Very high | 98.9 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | 69.2 | 157.8 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M366 K372 N373 L374 | M366-G370 VanDerWaalsContact O-CA 3.22Å; M366-G370 WeakPolarHBondContact O-CA 3.47Å; M366-G370 PolarHBondContact O-N 2.86Å; G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 3.23Å; G370-N373 PolarHBondContact O-N 2.9Å; G370-L374 PolarHBondContact O-N 3.12Å |
| 371 | L | 98.4 | Very high | 98.9 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.2 | -34.8 | -174.1 | -173.7 | 59.3 | 0 | 0 | 0 | 113.2 | A125 F282 N373 L374 Q375 | A125-L371 HydrophobicContact CB-CD1 4.01Å; A125-L371 HydrophobicContact CB-CD2 4.47Å; F282-L371 HydrophobicContact CB-CD1 3.9Å; F282-L371 HydrophobicContact CD1-CD1 3.98Å; F282-L371 HydrophobicContact CG-CD1 4.04Å; L371-N373 PolarHBondContact O-N 3.12Å; L371-L374 PolarHBondContact O-N 3.07Å; L371-Q375 HydrophobicContact CG-CG 4.43Å; L371-Q375 VanDerWaalsContact O-CG 3.25Å; L371-Q375 WeakPolarHBondContact O-CG 3.44Å; L371-Q375 PolarHBondContact O-N 2.92Å |
| 372 | K | 98.8 | Very high | 98.9 | Very high | 174 Ų | 174 | 52 Ų | 52 | 76% | 0.757 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 179.2 | -69.7 | -175.7 | 178.8 | -179.9 | 0 | 112.8 | G370 Q375 A376 | G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 3.23Å; K372-Q375 PolarHBondContact O-N 2.7Å; K372-A376 WeakPolarHBondContact O-CB 3.49Å; K372-A376 PolarHBondContact O-N 3.24Å |
| 373 | N | 98.9 | Very high | 98.9 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -78.1 | -31.1 | -179.6 | -66.6 | -36.4 | 0 | 0 | 0 | 111.8 | F369 G370 L371 Q375 A376 H377 | F369-N373 HydrophobicContact CB-CB 4.23Å; F369-N373 HydrophobicContact CD1-CB 4.38Å; F369-N373 VanDerWaalsContact O-CB 3.31Å; F369-N373 WeakPolarHBondContact O-CB 3.25Å; F369-N373 PolarHBondContact O-ND2 3.08Å; G370-N373 PolarHBondContact O-N 2.9Å; L371-N373 PolarHBondContact O-N 3.12Å; N373-Q375 VanDerWaalsContact C-N 3.34Å; N373-A376 PolarHBondContact O-N 2.89Å; N373-H377 WeakPolarHBondContact O-CB 3.38Å; N373-H377 PolarHBondContact O-N 3.15Å |
| 374 | L | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 169.5 | -64.5 | 176.5 | 0 | 0 | 0 | 111.3 | F282 M307 M308 V365 F369 G370 L371 H377 V378 | F282-L374 HydrophobicContact CD2-CB 4.17Å; M307-L374 HydrophobicContact CE-CD1 3.88Å; M307-L374 HydrophobicContact CG-CD2 4.43Å; M308-L374 HydrophobicContact CE-CD2 3.57Å; V365-L374 HydrophobicContact CG1-CD2 4.43Å; F369-L374 HydrophobicContact CB-CD2 3.97Å; F369-L374 HydrophobicContact CB-CG 4.06Å; F369-L374 HydrophobicContact CD2-CD2 4.31Å; F369-L374 HydrophobicContact CG-CD2 4.21Å; G370-L374 PolarHBondContact O-N 3.12Å; L371-L374 PolarHBondContact O-N 3.07Å; L374-H377 WeakPolarHBondContact O-CB 3.5Å; L374-H377 PolarHBondContact O-N 3.13Å; L374-V378 PolarHBondContact O-N 2.94Å; L374-V378 VanDerWaalsContact O-N 3.17Å |
| 375 | Q | 98.9 | Very high | 98.9 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 172.9 | -71.7 | 168.5 | -14.1 | 0 | 0 | 112.1 | F282 L371 K372 N373 H377 V378 R379 | F282-Q375 HydrophobicContact CB-CG 3.98Å; F282-Q375 WeakPolarHBondContact O-CG 3.33Å; F282-Q375 PolarHBondContact O-NE2 2.62Å; L371-Q375 HydrophobicContact CG-CG 4.43Å; L371-Q375 VanDerWaalsContact O-CG 3.25Å; L371-Q375 WeakPolarHBondContact O-CG 3.44Å; L371-Q375 PolarHBondContact O-N 2.92Å; K372-Q375 PolarHBondContact O-N 2.7Å; N373-Q375 VanDerWaalsContact C-N 3.34Å; Q375-H377 VanDerWaalsContact C-N 3.32Å; Q375-H377 PolarHBondContact O-N 3.18Å; Q375-V378 PolarHBondContact O-N 3.1Å; Q375-R379 WeakPolarHBondContact O-CG 3.42Å; Q375-R379 PolarHBondContact O-N 3.47Å |
| 376 | A | 98.9 | Very high | 98.9 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K372 N373 R379 H380 | K372-A376 WeakPolarHBondContact O-CB 3.49Å; K372-A376 PolarHBondContact O-N 3.24Å; N373-A376 PolarHBondContact O-N 2.89Å; A376-R379 PolarHBondContact O-N 2.83Å; A376-H380 VanDerWaalsContact O-CB 3.29Å; A376-H380 WeakPolarHBondContact O-CB 3.41Å; A376-H380 PolarHBondContact O-N 3.27Å |
| 377 | H | 98.9 | Very high | 98.9 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 175 | 168 | 57.7 | 0 | 0 | 0 | 112.3 | W306 M308 N373 L374 Q375 H380 G381 Q453 | W306-H377 AromaticContact CD1-NE2 3.55Å; W306-H377 AromaticContact NE1-NE2 3.77Å; W306-H377 PolarHBondContact O-CD2 3.28Å; W306-H377 PolarHBondContact O-NE2 3.19Å; M308-H377 HydrophobicContact CE-CB 4.2Å; N373-H377 WeakPolarHBondContact O-CB 3.38Å; N373-H377 PolarHBondContact O-N 3.15Å; L374-H377 WeakPolarHBondContact O-CB 3.5Å; L374-H377 PolarHBondContact O-N 3.13Å; Q375-H377 VanDerWaalsContact C-N 3.32Å; Q375-H377 PolarHBondContact O-N 3.18Å; H377-H380 PolarHBondContact O-N 3.26Å; H377-G381 PolarHBondContact O-N 2.88Å; H377-Q453 VanDerWaalsContact CE1-CB 3.44Å; H377-Q453 WeakPolarHBondContact CE1-CB 3.25Å; H377-Q453 WeakPolarHBondContact ND1-CB 3.39Å |
| 378 | V | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -50.8 | 177.2 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | A280 L286 W306 L374 Q375 H380 G381 I382 | A280-V378 HydrophobicContact CB-CG1 4.25Å; L286-V378 HydrophobicContact CD1-CG1 3.83Å; W306-V378 HydrophobicContact CH2-CG1 4.24Å; W306-V378 HydrophobicContact CZ3-CG1 4.19Å; L374-V378 PolarHBondContact O-N 2.94Å; L374-V378 VanDerWaalsContact O-N 3.17Å; Q375-V378 PolarHBondContact O-N 3.1Å; V378-H380 VanDerWaalsContact C-N 3.32Å; V378-H380 PolarHBondContact O-N 2.81Å; V378-G381 PolarHBondContact O-N 3.4Å; V378-I382 HydrophobicContact CG1-CD1 3.87Å; V378-I382 WeakPolarHBondContact O-CG1 3.46Å; V378-I382 PolarHBondContact O-N 3.19Å |
| 379 | R | 98.9 | Very high | 98.9 | Very high | 98 Ų | 98 | 47.2 Ų | 47.2 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.5 | -44.5 | -179.7 | -71.8 | 170.3 | 179.4 | 141 | 2.9 | 111.7 | E285 Q375 A376 I382 E383 | E285-R379 VanDerWaalsContact CD-NH2 3.34Å; E285-R379 IonicContact OE1-CZ 2.87Å; E285-R379 IonicContact OE1-NE 3.27Å; E285-R379 PolarHBondContact OE1-NE 2.86Å; E285-R379 IonicContact OE1-NH2 3.8Å; E285-R379 PolarHBondContact OE1-NH2 3.05Å; E285-R379 IonicContact OE2-NH2 3.19Å; E285-R379 PolarHBondContact OE2-NH2 3.17Å; Q375-R379 WeakPolarHBondContact O-CG 3.42Å; Q375-R379 PolarHBondContact O-N 3.47Å; A376-R379 PolarHBondContact O-N 2.83Å; R379-I382 WeakPolarHBondContact O-CB 3.27Å; R379-I382 PolarHBondContact O-N 3.13Å; R379-E383 WeakPolarHBondContact O-CG 3.29Å; R379-E383 PolarHBondContact O-N 3.3Å |
| 380 | H | 98.9 | Very high | 98.9 | Very high | 73 Ų | 73 | 48 Ų | 48 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 177.2 | -180 | 67.5 | 0 | 0 | 0 | 112 | A376 H377 V378 I382 E383 M384 T455 | A376-H380 VanDerWaalsContact O-CB 3.29Å; A376-H380 WeakPolarHBondContact O-CB 3.41Å; A376-H380 PolarHBondContact O-N 3.27Å; H377-H380 PolarHBondContact O-N 3.26Å; V378-H380 VanDerWaalsContact C-N 3.32Å; V378-H380 PolarHBondContact O-N 2.81Å; H380-I382 VanDerWaalsContact C-N 3.27Å; H380-I382 PolarHBondContact O-N 3.5Å; H380-E383 PolarHBondContact O-N 2.77Å; H380-E383 VanDerWaalsContact O-N 3.15Å; H380-M384 WeakPolarHBondContact O-CG 3.48Å; H380-M384 PolarHBondContact O-N 3.26Å; H380-T455 PolarHBondContact NE2-O 2.94Å |
| 381 | G | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -36.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H377 V378 A385 | H377-G381 PolarHBondContact O-N 2.88Å; V378-G381 PolarHBondContact O-N 3.4Å; G381-A385 PolarHBondContact O-N 3.23Å; G381-A385 VanDerWaalsContact O-N 3.15Å |
| 382 | I | 98.9 | Very high | 98.9 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 173.8 | -67.8 | 173.7 | 0 | 0 | 0 | 111.3 | L286 W306 V378 R379 H380 M384 A385 K386 L406 | L286-I382 HydrophobicContact CD1-CD1 3.4Å; L286-I382 HydrophobicContact CD2-CD1 4.29Å; W306-I382 HydrophobicContact CH2-CD1 4.45Å; W306-I382 HydrophobicContact CH2-CG1 3.84Å; V378-I382 HydrophobicContact CG1-CD1 3.87Å; V378-I382 WeakPolarHBondContact O-CG1 3.46Å; V378-I382 PolarHBondContact O-N 3.19Å; R379-I382 WeakPolarHBondContact O-CB 3.27Å; R379-I382 PolarHBondContact O-N 3.13Å; H380-I382 VanDerWaalsContact C-N 3.27Å; H380-I382 PolarHBondContact O-N 3.5Å; I382-M384 VanDerWaalsContact C-N 3.33Å; I382-M384 PolarHBondContact O-N 3.34Å; I382-A385 PolarHBondContact O-N 3.46Å; I382-K386 WeakPolarHBondContact O-CB 3.46Å; I382-K386 PolarHBondContact O-N 3.28Å; I382-L406 HydrophobicContact CD1-CD2 3.77Å; I382-L406 HydrophobicContact CG1-CD2 4.39Å |
| 383 | E | 98.9 | Very high | 98.9 | Very high | 94 Ų | 94 | 44.3 Ų | 44.3 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -36.6 | 178 | -71.9 | -56.6 | 126.3 | 0 | 0 | 112.1 | R379 H380 K386 L387 | R379-E383 WeakPolarHBondContact O-CG 3.29Å; R379-E383 PolarHBondContact O-N 3.3Å; H380-E383 PolarHBondContact O-N 2.77Å; H380-E383 VanDerWaalsContact O-N 3.15Å; E383-K386 PolarHBondContact O-N 2.91Å; E383-K386 IonicContact OE1-NZ 3.82Å; E383-K386 IonicContact OE2-NZ 2.68Å; E383-L387 WeakPolarHBondContact O-CB 3.47Å; E383-L387 PolarHBondContact O-N 2.95Å |
| 384 | M | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 173.4 | -67 | -53.4 | 91.1 | 0 | 0 | 112.2 | H380 I382 L387 L388 V450 A457 I460 | H380-M384 WeakPolarHBondContact O-CG 3.48Å; H380-M384 PolarHBondContact O-N 3.26Å; I382-M384 VanDerWaalsContact C-N 3.33Å; I382-M384 PolarHBondContact O-N 3.34Å; M384-L387 PolarHBondContact O-N 2.91Å; M384-L388 PolarHBondContact O-N 3.28Å; M384-L388 VanDerWaalsContact O-N 3.09Å; M384-V450 HydrophobicContact CB-CG1 3.92Å; M384-V450 HydrophobicContact CB-CG2 3.98Å; M384-A457 HydrophobicContact SD-CB 4.39Å; M384-A457 PolarHBondContact SD-N 2.94Å; M384-A457 VanDerWaalsContact SD-N 3.42Å; M384-I460 HydrophobicContact CB-CD1 4.22Å; M384-I460 HydrophobicContact CB-CG1 3.97Å; M384-I460 HydrophobicContact CG-CG1 4.43Å; M384-I460 HydrophobicContact SD-CG1 4.2Å |
| 385 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.2 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | G381 I382 L388 E389 V409 V450 | G381-A385 PolarHBondContact O-N 3.23Å; G381-A385 VanDerWaalsContact O-N 3.15Å; I382-A385 PolarHBondContact O-N 3.46Å; A385-L388 PolarHBondContact O-N 2.69Å; A385-E389 WeakPolarHBondContact O-CB 3.45Å; A385-E389 PolarHBondContact O-N 3.43Å; A385-V409 HydrophobicContact CB-CG2 4.08Å; A385-V409 VanDerWaalsContact O-CG2 3.28Å; A385-V409 WeakPolarHBondContact O-CG2 3.31Å; A385-V450 HydrophobicContact CB-CG2 3.81Å |
| 386 | K | 98.9 | Very high | 98.7 | Very high | 103 Ų | 103 | 47.9 Ų | 47.9 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -38.1 | 174.2 | -174.8 | -177.2 | 176.1 | -171.6 | 0 | 112.1 | I382 E383 E389 S390 | I382-K386 WeakPolarHBondContact O-CB 3.46Å; I382-K386 PolarHBondContact O-N 3.28Å; E383-K386 PolarHBondContact O-N 2.91Å; E383-K386 IonicContact OE1-NZ 3.82Å; E383-K386 IonicContact OE2-NZ 2.68Å; K386-E389 PolarHBondContact O-N 3.49Å; K386-S390 PolarHBondContact O-N 2.86Å |
| 387 | L | 98.9 | Very high | 98.7 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -49.5 | 172.4 | 175.9 | 62.7 | 0 | 0 | 0 | 110.8 | E383 M384 E389 S390 H391 A457 I460 L461 | E383-L387 WeakPolarHBondContact O-CB 3.47Å; E383-L387 PolarHBondContact O-N 2.95Å; M384-L387 PolarHBondContact O-N 2.91Å; L387-E389 VanDerWaalsContact C-N 3.33Å; L387-E389 PolarHBondContact O-N 3.4Å; L387-S390 PolarHBondContact O-N 3.46Å; L387-S390 PolarHBondContact O-OG 2.97Å; L387-H391 PolarHBondContact O-CD2 2.77Å; L387-H391 VanDerWaalsContact O-CD2 3.3Å; L387-H391 PolarHBondContact O-N 3.36Å; L387-A457 HydrophobicContact CD2-CB 3.65Å; L387-I460 HydrophobicContact CD2-CB 4.33Å; L387-I460 HydrophobicContact CD2-CG2 4.2Å; L387-I460 HydrophobicContact CG-CG2 4.22Å; L387-L461 HydrophobicContact CD2-CG 4.49Å |
| 388 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 176.2 | 178.1 | 67.6 | 0 | 0 | 0 | 112 | M384 A385 S390 H391 I392 V409 F448 I460 W464 | M384-L388 PolarHBondContact O-N 3.28Å; M384-L388 VanDerWaalsContact O-N 3.09Å; A385-L388 PolarHBondContact O-N 2.69Å; L388-S390 VanDerWaalsContact C-N 3.29Å; L388-S390 PolarHBondContact O-N 3.45Å; L388-H391 PolarHBondContact O-N 3.16Å; L388-I392 HydrophobicContact CD1-CD1 4.09Å; L388-I392 HydrophobicContact CD1-CG1 4.32Å; L388-I392 HydrophobicContact CD2-CD1 4.11Å; L388-I392 HydrophobicContact CG-CD1 3.67Å; L388-I392 HydrophobicContact CG-CG1 4.32Å; L388-I392 WeakPolarHBondContact O-CG1 3.42Å; L388-I392 PolarHBondContact O-N 2.97Å; L388-V409 HydrophobicContact CD2-CB 4.25Å; L388-V409 HydrophobicContact CD2-CG2 4.23Å; L388-F448 HydrophobicContact CD1-CE2 4.45Å; L388-F448 HydrophobicContact CD2-CB 3.74Å; L388-F448 HydrophobicContact CD2-CD1 3.18Å; L388-F448 HydrophobicContact CD2-CD2 3.56Å; L388-F448 HydrophobicContact CD2-CE1 3.53Å; L388-F448 HydrophobicContact CD2-CE2 3.86Å; L388-F448 HydrophobicContact CD2-CG 3.2Å; L388-F448 HydrophobicContact CD2-CZ 3.84Å; L388-I460 HydrophobicContact CB-CG2 3.78Å; L388-I460 HydrophobicContact CD1-CG2 4.32Å; L388-W464 HydrophobicContact CD1-CB 3.94Å; L388-W464 HydrophobicContact CD1-CD2 4.41Å; L388-W464 HydrophobicContact CD1-CE3 4.03Å; L388-W464 HydrophobicContact CD1-CG 4.41Å |
| 389 | E | 98.9 | Very high | 98.6 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 180 | -176.4 | -174.8 | -171.4 | 0 | 0 | 112 | A385 K386 L387 H391 I392 R393 R404 V409 | A385-E389 WeakPolarHBondContact O-CB 3.45Å; A385-E389 PolarHBondContact O-N 3.43Å; K386-E389 PolarHBondContact O-N 3.49Å; L387-E389 VanDerWaalsContact C-N 3.33Å; L387-E389 PolarHBondContact O-N 3.4Å; E389-H391 VanDerWaalsContact C-N 3.3Å; E389-H391 PolarHBondContact O-N 3.16Å; E389-I392 PolarHBondContact O-N 3.29Å; E389-R393 HydrophobicContact CG-CG 4.34Å; E389-R393 WeakPolarHBondContact O-CB 3.38Å; E389-R393 VanDerWaalsContact O-CG 3.32Å; E389-R393 WeakPolarHBondContact O-CG 3.44Å; E389-R393 PolarHBondContact O-N 3.03Å; E389-R393 IonicContact OE1-CZ 2.66Å; E389-R393 VanDerWaalsContact OE1-CZ 3.27Å; E389-R393 IonicContact OE1-NE 3.37Å; E389-R393 PolarHBondContact OE1-NE 3.38Å; E389-R393 IonicContact OE1-NH2 3.62Å; E389-R393 PolarHBondContact OE1-NH2 3.07Å; E389-R404 WeakPolarHBondContact OE2-CB 3.36Å; E389-R404 WeakPolarHBondContact OE2-CD 3.35Å; E389-R404 IonicContact OE2-CZ 2.75Å; E389-R404 IonicContact OE2-NE 2.75Å; E389-R404 PolarHBondContact OE2-NE 3.26Å; E389-V409 HydrophobicContact CB-CG1 4.26Å; E389-V409 HydrophobicContact CB-CG2 4.16Å; E389-V409 HydrophobicContact CG-CG1 4.49Å |
| 390 | S | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 179.6 | 76.4 | 0 | 0 | 0 | 0 | 111.9 | K386 L387 L388 S394 | K386-S390 PolarHBondContact O-N 2.86Å; L387-S390 PolarHBondContact O-N 3.46Å; L387-S390 PolarHBondContact O-OG 2.97Å; L388-S390 VanDerWaalsContact C-N 3.29Å; L388-S390 PolarHBondContact O-N 3.45Å; S390-S394 WeakPolarHBondContact O-CB 3.16Å; S390-S394 PolarHBondContact O-N 2.9Å; S390-S394 VanDerWaalsContact O-N 3.11Å |
| 391 | H | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 175.5 | -82.2 | -72.9 | 0 | 0 | 0 | 112.2 | L387 L388 E389 R393 S394 D395 L461 W464 | L387-H391 PolarHBondContact O-CD2 2.77Å; L387-H391 VanDerWaalsContact O-CD2 3.3Å; L387-H391 PolarHBondContact O-N 3.36Å; L388-H391 PolarHBondContact O-N 3.16Å; E389-H391 VanDerWaalsContact C-N 3.3Å; E389-H391 PolarHBondContact O-N 3.16Å; H391-R393 VanDerWaalsContact C-N 3.31Å; H391-R393 PolarHBondContact O-N 2.73Å; H391-S394 PolarHBondContact O-N 3.32Å; H391-S394 VanDerWaalsContact O-N 3.16Å; H391-S394 PolarHBondContact O-OG 2.86Å; H391-D395 PolarHBondContact O-N 3.24Å; H391-L461 WeakPolarHBondContact NE2-CD2 3.26Å; H391-W464 HydrophobicContact CB-CD2 4.07Å; H391-W464 HydrophobicContact CB-CG 3.95Å; H391-W464 AromaticContact CG-CD1 3.88Å; H391-W464 AromaticContact ND1-CD1 3.98Å |
| 392 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 176.2 | -65.5 | 162.5 | 0 | 0 | 0 | 110.9 | L388 E389 S394 D395 F398 V400 V409 F411 W464 | L388-I392 HydrophobicContact CD1-CD1 4.09Å; L388-I392 HydrophobicContact CD1-CG1 4.32Å; L388-I392 HydrophobicContact CD2-CD1 4.11Å; L388-I392 HydrophobicContact CG-CD1 3.67Å; L388-I392 HydrophobicContact CG-CG1 4.32Å; L388-I392 WeakPolarHBondContact O-CG1 3.42Å; L388-I392 PolarHBondContact O-N 2.97Å; E389-I392 PolarHBondContact O-N 3.29Å; I392-S394 VanDerWaalsContact C-N 3.25Å; I392-S394 PolarHBondContact O-N 3.23Å; I392-D395 PolarHBondContact O-N 2.82Å; I392-F398 HydrophobicContact CG2-CB 3.84Å; I392-F398 HydrophobicContact CG2-CG 4.49Å; I392-V400 HydrophobicContact CB-CG2 4.26Å; I392-V400 HydrophobicContact CG2-CG2 3.54Å; I392-V409 HydrophobicContact CD1-CG1 3.74Å; I392-F411 HydrophobicContact CD1-CB 4.18Å; I392-F411 HydrophobicContact CD1-CD1 3.56Å; I392-F411 HydrophobicContact CD1-CE1 4.05Å; I392-F411 HydrophobicContact CD1-CG 3.89Å; I392-F411 HydrophobicContact CG1-CG 4.5Å; I392-F411 HydrophobicContact CG2-CB 3.8Å; I392-F411 HydrophobicContact CG2-CG 4.28Å; I392-W464 HydrophobicContact CB-CH2 4.21Å; I392-W464 HydrophobicContact CB-CZ3 4.23Å; I392-W464 HydrophobicContact CD1-CZ3 4.42Å; I392-W464 HydrophobicContact CG1-CE3 3.75Å; I392-W464 HydrophobicContact CG1-CH2 3.81Å; I392-W464 HydrophobicContact CG1-CZ3 3.33Å |
| 393 | R | 98.4 | Very high | 98.5 | Very high | 139 Ų | 139 | 50.6 Ų | 50.6 | 53% | 0.525 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.6 | -25.2 | -179.5 | -72.7 | -176.3 | -178.4 | -73.4 | -1.6 | 113.3 | E389 H391 D395 V400 | E389-R393 HydrophobicContact CG-CG 4.34Å; E389-R393 WeakPolarHBondContact O-CB 3.38Å; E389-R393 VanDerWaalsContact O-CG 3.32Å; E389-R393 WeakPolarHBondContact O-CG 3.44Å; E389-R393 PolarHBondContact O-N 3.03Å; E389-R393 IonicContact OE1-CZ 2.66Å; E389-R393 VanDerWaalsContact OE1-CZ 3.27Å; E389-R393 IonicContact OE1-NE 3.37Å; E389-R393 PolarHBondContact OE1-NE 3.38Å; E389-R393 IonicContact OE1-NH2 3.62Å; E389-R393 PolarHBondContact OE1-NH2 3.07Å; H391-R393 VanDerWaalsContact C-N 3.31Å; H391-R393 PolarHBondContact O-N 2.73Å; R393-D395 VanDerWaalsContact C-N 3.33Å; R393-V400 HydrophobicContact CG-CG2 3.99Å |
| 394 | S | 98.3 | Very high | 98.5 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -77 | -19.8 | 176.7 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | S390 H391 I392 | S390-S394 WeakPolarHBondContact O-CB 3.16Å; S390-S394 PolarHBondContact O-N 2.9Å; S390-S394 VanDerWaalsContact O-N 3.11Å; H391-S394 PolarHBondContact O-N 3.32Å; H391-S394 VanDerWaalsContact O-N 3.16Å; H391-S394 PolarHBondContact O-OG 2.86Å; I392-S394 VanDerWaalsContact C-N 3.25Å; I392-S394 PolarHBondContact O-N 3.23Å |
| 395 | D | 98.4 | Very high | 98.5 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 10% | 0.102 | 26% | 0.258 | C | S | . | . | trans | -90.8 | 119.2 | -178.2 | -172.1 | -37.4 | 0 | 0 | 0 | 110.6 | H391 I392 R393 N397 F398 W464 S468 | H391-D395 PolarHBondContact O-N 3.24Å; I392-D395 PolarHBondContact O-N 2.82Å; R393-D395 VanDerWaalsContact C-N 3.33Å; D395-N397 PolarHBondContact O-N 2.92Å; D395-N397 VanDerWaalsContact O-N 3.16Å; D395-N397 VanDerWaalsContact OD1-CB 3.27Å; D395-N397 WeakPolarHBondContact OD1-CB 3.3Å; D395-N397 PolarHBondContact OD1-N 3.35Å; D395-N397 PolarHBondContact OD1-ND2 3.46Å; D395-F398 HydrophobicContact CB-CD2 3.86Å; D395-F398 VanDerWaalsContact CG-CD2 3.47Å; D395-F398 PolarHBondContact O-N 3.13Å; D395-W464 HydrophobicContact CB-CH2 4.18Å; D395-W464 HydrophobicContact CB-CZ2 3.84Å; D395-S468 PolarHBondContact OD2-OG 2.76Å | ||
| 396 | P | 97.5 | Very high | 98.5 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 62% | 0.623 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.9 | -175.1 | 28.8 | -36.1 | 0 | 0 | 0 | 113.5 | F398 K414 | P396-F398 VanDerWaalsContact C-N 3.31Å; P396-K414 WeakPolarHBondContact O-CD 3.42Å; P396-K414 PolarHBondContact O-NZ 3.31Å |
| 397 | N | 98 | Very high | 98.4 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -19.7 | -179.2 | -63.8 | -44.7 | 0 | 0 | 0 | 113 | D395 L413 K414 D472 L475 | D395-N397 PolarHBondContact O-N 2.92Å; D395-N397 VanDerWaalsContact O-N 3.16Å; D395-N397 VanDerWaalsContact OD1-CB 3.27Å; D395-N397 WeakPolarHBondContact OD1-CB 3.3Å; D395-N397 PolarHBondContact OD1-N 3.35Å; D395-N397 PolarHBondContact OD1-ND2 3.46Å; N397-L413 HydrophobicContact CB-CD2 4.34Å; N397-K414 PolarHBondContact O-N 3.33Å; N397-D472 PolarHBondContact ND2-OD1 3.47Å; N397-L475 HydrophobicContact CB-CD1 3.8Å; N397-L475 VanDerWaalsContact CG-CD1 3.46Å |
| 398 | F | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 161.3 | -175 | -65.5 | -89.9 | 0 | 0 | 0 | 112.7 | I392 D395 P396 F411 C412 L413 K414 L423 W464 I467 A471 | I392-F398 HydrophobicContact CG2-CB 3.84Å; I392-F398 HydrophobicContact CG2-CG 4.49Å; D395-F398 HydrophobicContact CB-CD2 3.86Å; D395-F398 VanDerWaalsContact CG-CD2 3.47Å; D395-F398 PolarHBondContact O-N 3.13Å; P396-F398 VanDerWaalsContact C-N 3.31Å; F398-F411 AromaticContact CD1-CD2 3.66Å; F398-F411 HydrophobicContact CD1-CD2 3.66Å; F398-F411 HydrophobicContact CD1-CE2 4.11Å; F398-F411 AromaticContact CE1-CD2 3.9Å; F398-F411 HydrophobicContact CE1-CD2 3.9Å; F398-F411 AromaticContact CE1-CE2 3.85Å; F398-F411 HydrophobicContact CE1-CE2 3.85Å; F398-C412 WeakPolarHBondContact CA-O 3.08Å; F398-L413 HydrophobicContact CD1-CD2 3.74Å; F398-L413 HydrophobicContact CD1-CG 4.4Å; F398-L413 HydrophobicContact CD2-CD2 4.37Å; F398-L413 HydrophobicContact CE1-CD2 3.46Å; F398-L413 VanDerWaalsContact CE1-CD2 3.46Å; F398-L413 HydrophobicContact CE1-CG 4.11Å; F398-L413 HydrophobicContact CE2-CD2 4.12Å; F398-L413 HydrophobicContact CG-CD2 4.23Å; F398-L413 HydrophobicContact CZ-CD2 3.7Å; F398-K414 WeakPolarHBondContact O-CE 3.29Å; F398-K414 PolarHBondContact O-NZ 3.24Å; F398-L423 HydrophobicContact CE1-CD2 3.79Å; F398-L423 HydrophobicContact CZ-CD2 4.16Å; F398-W464 AromaticContact CD2-CH2 3.74Å; F398-W464 HydrophobicContact CD2-CH2 3.74Å; F398-W464 AromaticContact CE2-CH2 3.69Å; F398-W464 HydrophobicContact CE2-CH2 3.69Å; F398-W464 HydrophobicContact CE2-CZ3 4.35Å; F398-W464 HydrophobicContact CG-CH2 4.24Å; F398-W464 HydrophobicContact CZ-CH2 4.17Å; F398-W464 HydrophobicContact CZ-CZ3 4.37Å; F398-I467 HydrophobicContact CE1-CG2 4.24Å; F398-I467 HydrophobicContact CZ-CG2 4Å; F398-A471 HydrophobicContact CE1-CB 4.43Å; F398-A471 HydrophobicContact CE2-CB 3.98Å; F398-A471 HydrophobicContact CZ-CB 3.49Å; F398-A471 VanDerWaalsContact CZ-CB 3.49Å |
| 399 | E | 98.1 | Very high | 98.4 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 151.7 | 168.9 | 60.2 | -178.3 | 162.2 | 0 | 0 | 110.6 | P401 F411 C412 K414 K443 | E399-P401 WeakPolarHBondContact O-CD 3.29Å; E399-F411 VanDerWaalsContact O-CA 3.26Å; E399-F411 WeakPolarHBondContact O-CA 3.5Å; E399-F411 WeakPolarHBondContact O-CB 3.41Å; E399-C412 WeakPolarHBondContact CG-SG 3.38Å; E399-C412 PolarHBondContact N-O 2.88Å; E399-C412 PolarHBondContact O-N 3.08Å; E399-K414 HydrophobicContact CB-CG 4.07Å; E399-K414 HydrophobicContact CG-CG 4.06Å; E399-K443 WeakPolarHBondContact OE1-CE 3.22Å; E399-K443 IonicContact OE1-NZ 3.87Å; E399-K443 PolarHBondContact OE1-NZ 3.36Å; E399-K443 IonicContact OE2-NZ 3Å; E399-K443 PolarHBondContact OE2-NZ 3.42Å |
| 400 | V | 98.5 | Very high | 98.4 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | trans | -112.5 | 95.1 | -179.6 | 177 | 0 | 0 | 0 | 0 | 107.5 | I392 R393 A402 V410 F411 | I392-V400 HydrophobicContact CB-CG2 4.26Å; I392-V400 HydrophobicContact CG2-CG2 3.54Å; R393-V400 HydrophobicContact CG-CG2 3.99Å; V400-A402 VanDerWaalsContact C-N 3.31Å; V400-A402 VanDerWaalsContact CG1-O 3.29Å; V400-A402 WeakPolarHBondContact CG1-O 3.49Å; V400-A402 PolarHBondContact O-N 3.4Å; V400-V410 WeakPolarHBondContact CG1-O 3.45Å; V400-F411 HydrophobicContact CG2-CB 4.46Å | ||
| 401 | P | 97.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 38.6 Ų | 38.6 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | trans | -80.8 | -4.3 | -168.5 | 30.9 | -35.6 | 0 | 0 | 0 | 114.8 | E399 V410 I440 K443 I445 | E399-P401 WeakPolarHBondContact O-CD 3.29Å; P401-V410 HydrophobicContact CG-CG2 4.38Å; P401-I440 HydrophobicContact CB-CD1 4.04Å; P401-I440 HydrophobicContact CG-CD1 3.84Å; P401-K443 HydrophobicContact CB-CD 4.2Å; P401-I445 HydrophobicContact CG-CG2 3.53Å | ||
| 402 | A | 98.1 | Very high | 98.4 | Very high | 17 Ų | 17 | 36 Ų | 36 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -139.2 | 153.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V250 V400 V410 I440 | V250-A402 HydrophobicContact CB-CB 3.83Å; V250-A402 HydrophobicContact CG1-CB 3.89Å; V250-A402 HydrophobicContact CG2-CB 4.47Å; V400-A402 VanDerWaalsContact C-N 3.31Å; V400-A402 VanDerWaalsContact CG1-O 3.29Å; V400-A402 WeakPolarHBondContact CG1-O 3.49Å; V400-A402 PolarHBondContact O-N 3.4Å; A402-V410 HydrophobicContact CB-CG2 3.69Å; A402-I440 HydrophobicContact CB-CD1 4.1Å |
| 403 | E | 98.1 | Very high | 98.4 | Very high | 115 Ų | 115 | 36.1 Ų | 36.1 | 54% | 0.537 | 19% | 0.19 | S | C | . | . | trans | -69.8 | 136.2 | -179.7 | -169.6 | 179.3 | 158.1 | 0 | 0 | 111.7 | H405 | E403-H405 IonicContact OE1-CE1 3.95Å; E403-H405 PolarHBondContact OE1-CE1 2.8Å; E403-H405 IonicContact OE1-ND1 3.51Å; E403-H405 IonicContact OE2-CE1 3.93Å | ||
| 404 | R | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | trans | -87 | 110.8 | 173.8 | -175.5 | -148.9 | 59.1 | 70.6 | 8.1 | 110 | E389 L406 L408 V409 | E389-R404 WeakPolarHBondContact OE2-CB 3.36Å; E389-R404 WeakPolarHBondContact OE2-CD 3.35Å; E389-R404 IonicContact OE2-CZ 2.75Å; E389-R404 IonicContact OE2-NE 2.75Å; E389-R404 PolarHBondContact OE2-NE 3.26Å; R404-L406 WeakPolarHBondContact CG-O 3.42Å; R404-L406 PolarHBondContact NH1-O 2.74Å; R404-L408 WeakPolarHBondContact CG-O 3.36Å; R404-V409 HydrophobicContact CG-CG2 3.96Å | ||
| 405 | H | 98.5 | Very high | 98.2 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 23% | 0.231 | 18% | 0.182 | C | C | . | . | trans | -92.8 | -42.9 | 173.3 | -61.4 | -57.6 | 0 | 0 | 0 | 113.1 | F253 W288 E403 | F253-H405 AromaticContact CD2-CD2 3.75Å; F253-H405 HydrophobicContact CE2-CB 3.71Å; F253-H405 AromaticContact CE2-CD2 3.68Å; F253-H405 AromaticContact CE2-CG 3.88Å; F253-H405 HydrophobicContact CZ-CB 4.48Å; W288-H405 HydrophobicContact CZ2-CB 4.4Å; E403-H405 IonicContact OE1-CE1 3.95Å; E403-H405 PolarHBondContact OE1-CE1 2.8Å; E403-H405 IonicContact OE1-ND1 3.51Å; E403-H405 IonicContact OE2-CE1 3.93Å | ||
| 406 | L | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -122.5 | -138.5 | -173.6 | -61.6 | -179.7 | 0 | 0 | 0 | 111.6 | F253 Y276 A277 A280 L286 W306 I382 R404 L408 | F253-L406 HydrophobicContact CZ-CD1 3.95Å; F253-L406 HydrophobicContact CZ-CG 4.31Å; Y276-L406 HydrophobicContact CD1-CD1 4.44Å; Y276-L406 HydrophobicContact CE1-CB 4.05Å; Y276-L406 HydrophobicContact CE1-CD1 4.02Å; A277-L406 HydrophobicContact CB-CD1 3.62Å; A280-L406 HydrophobicContact CB-CD1 3.97Å; A280-L406 HydrophobicContact CB-CD2 3.78Å; L286-L406 HydrophobicContact CD1-CD2 4.16Å; W306-L406 HydrophobicContact CH2-CB 4.33Å; W306-L406 HydrophobicContact CZ3-CB 4.23Å; W306-L406 HydrophobicContact CZ3-CD1 4.36Å; I382-L406 HydrophobicContact CD1-CD2 3.77Å; I382-L406 HydrophobicContact CG1-CD2 4.39Å; R404-L406 WeakPolarHBondContact CG-O 3.42Å; R404-L406 PolarHBondContact NH1-O 2.74Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.41Å |
| 407 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.1 | 8.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y276 T449 V450 | Y276-G407 VanDerWaalsContact OH-CA 3.25Å; Y276-G407 WeakPolarHBondContact OH-CA 3.24Å; Y276-G407 PolarHBondContact OH-N 3.3Å; Y276-G407 VanDerWaalsContact OH-N 3.12Å; G407-T449 WeakPolarHBondContact O-CA 3.22Å; G407-V450 PolarHBondContact O-N 3.28Å |
| 408 | L | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.5 | 176.8 | 171.2 | 63.7 | 0 | 0 | 0 | 110.3 | Y80 C251 R404 L406 V410 R447 | Y80-L408 HydrophobicContact CE1-CB 4.25Å; Y80-L408 HydrophobicContact CE1-CD2 4.18Å; C251-L408 HydrophobicContact CB-CB 4.25Å; C251-L408 HydrophobicContact CB-CD2 3.91Å; R404-L408 WeakPolarHBondContact CG-O 3.36Å; L406-L408 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.41Å; L408-V410 HydrophobicContact CD1-CG1 4.15Å; L408-V410 HydrophobicContact CD2-CG1 4.26Å; L408-V410 HydrophobicContact CG-CG1 4.12Å; L408-R447 HydrophobicContact CD1-CB 3.88Å; L408-R447 HydrophobicContact CD1-CG 4.34Å |
| 409 | V | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.8 | 166.8 | -171.2 | 0 | 0 | 0 | 0 | 108.8 | A385 L388 E389 I392 R404 F448 | A385-V409 HydrophobicContact CB-CG2 4.08Å; A385-V409 VanDerWaalsContact O-CG2 3.28Å; A385-V409 WeakPolarHBondContact O-CG2 3.31Å; L388-V409 HydrophobicContact CD2-CB 4.25Å; L388-V409 HydrophobicContact CD2-CG2 4.23Å; E389-V409 HydrophobicContact CB-CG1 4.26Å; E389-V409 HydrophobicContact CB-CG2 4.16Å; E389-V409 HydrophobicContact CG-CG1 4.49Å; I392-V409 HydrophobicContact CD1-CG1 3.74Å; R404-V409 HydrophobicContact CG-CG2 3.96Å; V409-F448 PolarHBondContact N-O 2.97Å; V409-F448 PolarHBondContact O-N 3.22Å |
| 410 | V | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.8 | 172.1 | -58.3 | 0 | 0 | 0 | 0 | 110 | V250 V400 P401 A402 L408 I445 I446 R447 | V250-V410 HydrophobicContact CG1-CG1 4.3Å; V250-V410 HydrophobicContact CG1-CG2 4.15Å; V400-V410 WeakPolarHBondContact CG1-O 3.45Å; P401-V410 HydrophobicContact CG-CG2 4.38Å; A402-V410 HydrophobicContact CB-CG2 3.69Å; L408-V410 HydrophobicContact CD1-CG1 4.15Å; L408-V410 HydrophobicContact CD2-CG1 4.26Å; L408-V410 HydrophobicContact CG-CG1 4.12Å; V410-I445 HydrophobicContact CB-CD1 3.78Å; V410-I445 HydrophobicContact CG1-CD1 3.84Å; V410-I445 HydrophobicContact CG2-CD1 4.26Å; V410-I446 WeakPolarHBondContact CA-O 3.41Å; V410-R447 HydrophobicContact CG1-CG 4.02Å |
| 411 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 165.5 | -178.2 | 65.5 | -85.5 | 0 | 0 | 0 | 111.4 | I392 F398 E399 V400 I446 F448 I467 | I392-F411 HydrophobicContact CD1-CB 4.18Å; I392-F411 HydrophobicContact CD1-CD1 3.56Å; I392-F411 HydrophobicContact CD1-CE1 4.05Å; I392-F411 HydrophobicContact CD1-CG 3.89Å; I392-F411 HydrophobicContact CG1-CG 4.5Å; I392-F411 HydrophobicContact CG2-CB 3.8Å; I392-F411 HydrophobicContact CG2-CG 4.28Å; F398-F411 AromaticContact CD1-CD2 3.66Å; F398-F411 HydrophobicContact CD1-CD2 3.66Å; F398-F411 HydrophobicContact CD1-CE2 4.11Å; F398-F411 AromaticContact CE1-CD2 3.9Å; F398-F411 HydrophobicContact CE1-CD2 3.9Å; F398-F411 AromaticContact CE1-CE2 3.85Å; F398-F411 HydrophobicContact CE1-CE2 3.85Å; E399-F411 VanDerWaalsContact O-CA 3.26Å; E399-F411 WeakPolarHBondContact O-CA 3.5Å; E399-F411 WeakPolarHBondContact O-CB 3.41Å; V400-F411 HydrophobicContact CG2-CB 4.46Å; F411-I446 HydrophobicContact CD2-CB 4.49Å; F411-I446 HydrophobicContact CE1-CB 4.23Å; F411-I446 HydrophobicContact CE1-CG2 3.88Å; F411-I446 HydrophobicContact CE2-CB 4.15Å; F411-I446 HydrophobicContact CE2-CD1 4.05Å; F411-I446 HydrophobicContact CE2-CG2 4.26Å; F411-I446 HydrophobicContact CZ-CB 4.01Å; F411-I446 HydrophobicContact CZ-CD1 4.41Å; F411-I446 HydrophobicContact CZ-CG2 3.66Å; F411-I446 PolarHBondContact N-O 2.82Å; F411-I446 PolarHBondContact O-N 3.32Å; F411-F448 HydrophobicContact CE1-CB 3.98Å; F411-I467 HydrophobicContact CE2-CG2 4.03Å; F411-I467 HydrophobicContact CZ-CD1 4.22Å; F411-I467 HydrophobicContact CZ-CG2 4.18Å |
| 412 | C | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 166.9 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | F398 E399 T420 K443 R444 I445 | F398-C412 WeakPolarHBondContact CA-O 3.08Å; E399-C412 WeakPolarHBondContact CG-SG 3.38Å; E399-C412 PolarHBondContact N-O 2.88Å; E399-C412 PolarHBondContact O-N 3.08Å; C412-T420 HydrophobicContact CB-CG2 3.79Å; C412-K443 WeakPolarHBondContact SG-CE 3.18Å; C412-R444 WeakPolarHBondContact CB-O 3.37Å; C412-I445 HydrophobicContact CB-CG2 4.41Å |
| 413 | L | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 134 | 171.3 | -70.3 | 173.7 | 0 | 0 | 0 | 109.9 | N397 F398 G415 G416 L419 T420 L423 A471 L474 | N397-L413 HydrophobicContact CB-CD2 4.34Å; F398-L413 HydrophobicContact CD1-CD2 3.74Å; F398-L413 HydrophobicContact CD1-CG 4.4Å; F398-L413 HydrophobicContact CD2-CD2 4.37Å; F398-L413 HydrophobicContact CE1-CD2 3.46Å; F398-L413 VanDerWaalsContact CE1-CD2 3.46Å; F398-L413 HydrophobicContact CE1-CG 4.11Å; F398-L413 HydrophobicContact CE2-CD2 4.12Å; F398-L413 HydrophobicContact CG-CD2 4.23Å; F398-L413 HydrophobicContact CZ-CD2 3.7Å; L413-G415 PolarHBondContact O-N 3.46Å; L413-G415 VanDerWaalsContact O-N 3.1Å; L413-G416 PolarHBondContact O-N 3.35Å; L413-G416 VanDerWaalsContact O-N 3.09Å; L413-L419 HydrophobicContact CD1-CB 3.95Å; L413-T420 PolarHBondContact N-OG1 3.25Å; L413-L423 HydrophobicContact CD1-CB 4.07Å; L413-L423 HydrophobicContact CD1-CD2 3.91Å; L413-L423 HydrophobicContact CD2-CD2 4.34Å; L413-L423 HydrophobicContact CG-CD2 3.97Å; L413-A471 HydrophobicContact CD2-CB 3.99Å; L413-L474 HydrophobicContact CD1-CD2 4.34Å |
| 414 | K | 97.1 | Very high | 98.1 | Very high | 121 Ų | 121 | 28.6 Ų | 28.6 | 53% | 0.526 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.8 | 172.5 | -69.9 | -178.3 | -176.9 | 147.7 | 0 | 112.8 | P396 N397 F398 E399 G416 | P396-K414 WeakPolarHBondContact O-CD 3.42Å; P396-K414 PolarHBondContact O-NZ 3.31Å; N397-K414 PolarHBondContact O-N 3.33Å; F398-K414 WeakPolarHBondContact O-CE 3.29Å; F398-K414 PolarHBondContact O-NZ 3.24Å; E399-K414 HydrophobicContact CB-CG 4.07Å; E399-K414 HydrophobicContact CG-CG 4.06Å; K414-G416 PolarHBondContact O-N 3.05Å |
| 415 | G | 94.1 | Very high | 98 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 45% | 0.454 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -2.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L413 | L413-G415 PolarHBondContact O-N 3.46Å; L413-G415 VanDerWaalsContact O-N 3.1Å |
| 416 | G | 96.4 | Very high | 98 | Very high | 31 Ų | 31 | 32 Ų | 32 | 32% | 0.32 | 18% | 0.179 | S | C | . | . | trans | 102.9 | 173.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L413 K414 A418 L419 T420 | L413-G416 PolarHBondContact O-N 3.35Å; L413-G416 VanDerWaalsContact O-N 3.09Å; K414-G416 PolarHBondContact O-N 3.05Å; G416-A418 VanDerWaalsContact C-N 3.35Å; G416-A418 PolarHBondContact O-N 2.92Å; G416-L419 PolarHBondContact O-N 3.18Å; G416-L419 VanDerWaalsContact O-N 3.13Å; G416-T420 PolarHBondContact O-N 2.8Å; G416-T420 VanDerWaalsContact O-N 3.09Å; G416-T420 PolarHBondContact O-OG1 3.45Å | ||
| 417 | N | 98 | Very high | 97.9 | Very high | 70 Ų | 70 | 31.8 Ų | 31.8 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -55 | -42.3 | -170.1 | -69.9 | -8.6 | 0 | 0 | 0 | 114.4 | L419 T420 Q421 T442 R444 | N417-L419 VanDerWaalsContact C-N 3.32Å; N417-L419 PolarHBondContact O-N 3.36Å; N417-T420 PolarHBondContact O-N 3.45Å; N417-Q421 WeakPolarHBondContact O-CB 3.31Å; N417-Q421 PolarHBondContact O-N 3.21Å; N417-T442 PolarHBondContact ND2-O 2.95Å; N417-R444 HydrophobicContact CB-CB 3.9Å; N417-R444 PolarHBondContact OD1-N 3.46Å |
| 418 | A | 97.4 | Very high | 97.6 | Very high | 85 Ų | 85 | 33.5 Ų | 33.5 | 70% | 0.702 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -62.6 | -40.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G416 Q421 E422 | G416-A418 VanDerWaalsContact C-N 3.35Å; G416-A418 PolarHBondContact O-N 2.92Å; A418-Q421 PolarHBondContact O-N 3.24Å; A418-E422 WeakPolarHBondContact O-CB 3.35Å; A418-E422 PolarHBondContact O-N 3.44Å |
| 419 | L | 97.8 | Very high | 97.3 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -42.5 | 176.5 | -78.1 | 178.8 | 0 | 0 | 0 | 111.7 | L413 G416 N417 Q421 E422 L423 L474 L475 K478 | L413-L419 HydrophobicContact CD1-CB 3.95Å; G416-L419 PolarHBondContact O-N 3.18Å; G416-L419 VanDerWaalsContact O-N 3.13Å; N417-L419 VanDerWaalsContact C-N 3.32Å; N417-L419 PolarHBondContact O-N 3.36Å; L419-Q421 VanDerWaalsContact C-N 3.3Å; L419-Q421 PolarHBondContact O-N 3.38Å; L419-E422 PolarHBondContact O-N 2.83Å; L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.18Å; L419-L474 HydrophobicContact CD2-CD1 4.21Å; L419-L474 HydrophobicContact CD2-CD2 3.94Å; L419-L474 HydrophobicContact CD2-CG 3.86Å; L419-L475 HydrophobicContact CD1-CD2 3.85Å; L419-K478 HydrophobicContact CD1-CD 3.92Å; L419-K478 HydrophobicContact CD2-CD 4.08Å; L419-K478 HydrophobicContact CG-CD 4.35Å |
| 420 | T | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | C412 L413 G416 N417 L424 R444 I446 | C412-T420 HydrophobicContact CB-CG2 3.79Å; L413-T420 PolarHBondContact N-OG1 3.25Å; G416-T420 PolarHBondContact O-N 2.8Å; G416-T420 VanDerWaalsContact O-N 3.09Å; G416-T420 PolarHBondContact O-OG1 3.45Å; N417-T420 PolarHBondContact O-N 3.45Å; T420-L424 WeakPolarHBondContact O-CB 3.35Å; T420-L424 PolarHBondContact O-N 2.77Å; T420-R444 HydrophobicContact CG2-CG 4.47Å; T420-I446 HydrophobicContact CG2-CD1 4.04Å; T420-I446 HydrophobicContact CG2-CG1 3.78Å |
| 421 | Q | 98.1 | Very high | 96.8 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.8 | -176.2 | 61 | 40.8 | 0 | 0 | 112.1 | N417 A418 L419 L424 R425 | N417-Q421 WeakPolarHBondContact O-CB 3.31Å; N417-Q421 PolarHBondContact O-N 3.21Å; A418-Q421 PolarHBondContact O-N 3.24Å; L419-Q421 VanDerWaalsContact C-N 3.3Å; L419-Q421 PolarHBondContact O-N 3.38Å; Q421-L424 PolarHBondContact O-N 3.02Å; Q421-R425 WeakPolarHBondContact O-CB 3.47Å; Q421-R425 PolarHBondContact O-N 2.85Å |
| 422 | E | 98.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 177.2 | 177.2 | 55.1 | -159.5 | 0 | 0 | 112.1 | A418 L419 R425 R426 L474 | A418-E422 WeakPolarHBondContact O-CB 3.35Å; A418-E422 PolarHBondContact O-N 3.44Å; L419-E422 PolarHBondContact O-N 2.83Å; E422-R425 PolarHBondContact O-N 3.38Å; E422-R425 IonicContact OE1-CZ 3.77Å; E422-R425 IonicContact OE1-NE 3.72Å; E422-R425 IonicContact OE1-NH2 3.73Å; E422-R425 PolarHBondContact OE1-NH2 3.48Å; E422-R425 IonicContact OE2-CZ 3.98Å; E422-R425 IonicContact OE2-NE 3.42Å; E422-R425 PolarHBondContact OE2-NE 3.36Å; E422-R425 IonicContact OE2-NH2 2.72Å; E422-R425 PolarHBondContact OE2-NH2 3.33Å; E422-R426 WeakPolarHBondContact O-CG 3.46Å; E422-R426 PolarHBondContact O-N 3.15Å; E422-R426 IonicContact OE1-CZ 3.08Å; E422-R426 IonicContact OE1-NE 2.79Å; E422-R426 PolarHBondContact OE1-NE 3.19Å; E422-R426 IonicContact OE1-NH2 3.1Å; E422-R426 PolarHBondContact OE1-NH2 3.42Å; E422-L474 HydrophobicContact CB-CD1 4.43Å; E422-L474 HydrophobicContact CB-CD2 4.16Å; E422-L474 HydrophobicContact CG-CD1 3.57Å; E422-L474 HydrophobicContact CG-CD2 4.02Å; E422-L474 HydrophobicContact CG-CG 4.47Å |
| 423 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.1 | -53.5 | 171.6 | 173.7 | 60.9 | 0 | 0 | 0 | 110.2 | F398 L413 L419 R425 R426 L427 I446 T470 A471 L474 | F398-L423 HydrophobicContact CE1-CD2 3.79Å; F398-L423 HydrophobicContact CZ-CD2 4.16Å; L413-L423 HydrophobicContact CD1-CB 4.07Å; L413-L423 HydrophobicContact CD1-CD2 3.91Å; L413-L423 HydrophobicContact CD2-CD2 4.34Å; L413-L423 HydrophobicContact CG-CD2 3.97Å; L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.18Å; L423-R425 VanDerWaalsContact C-N 3.29Å; L423-R425 PolarHBondContact O-N 3.29Å; L423-R426 PolarHBondContact O-N 2.96Å; L423-R426 VanDerWaalsContact O-N 3.13Å; L423-L427 HydrophobicContact CD1-CD1 3.83Å; L423-L427 HydrophobicContact CD1-CD2 4.43Å; L423-L427 HydrophobicContact CD1-CG 4.01Å; L423-L427 HydrophobicContact CG-CD1 3.81Å; L423-L427 HydrophobicContact CG-CG 4.4Å; L423-L427 VanDerWaalsContact O-CG 3.29Å; L423-L427 WeakPolarHBondContact O-CG 3.41Å; L423-L427 PolarHBondContact O-N 3.41Å; L423-I446 HydrophobicContact CD2-CD1 3.94Å; L423-I446 HydrophobicContact CG-CD1 4.16Å; L423-T470 HydrophobicContact CD1-CG2 3.69Å; L423-A471 HydrophobicContact CD1-CB 4.15Å; L423-A471 HydrophobicContact CD2-CB 4.2Å; L423-L474 HydrophobicContact CB-CD2 4.05Å |
| 424 | L | 98.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.6 | -46.8 | 177.7 | 177 | 61 | 0 | 0 | 0 | 111.5 | T420 Q421 R426 L427 T428 L435 P437 I446 | T420-L424 WeakPolarHBondContact O-CB 3.35Å; T420-L424 PolarHBondContact O-N 2.77Å; Q421-L424 PolarHBondContact O-N 3.02Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 3.02Å; L424-L427 PolarHBondContact O-N 3.36Å; L424-T428 WeakPolarHBondContact O-CB 3.4Å; L424-T428 PolarHBondContact O-N 3.17Å; L424-T428 PolarHBondContact O-OG1 3.31Å; L424-L435 HydrophobicContact CD1-CB 3.56Å; L424-P437 HydrophobicContact CD2-CB 3.6Å; L424-P437 HydrophobicContact CD2-CG 3.75Å; L424-I446 HydrophobicContact CB-CD1 4.13Å; L424-I446 HydrophobicContact CB-CG1 4.18Å; L424-I446 HydrophobicContact CD1-CG1 4.48Å; L424-I446 HydrophobicContact CD1-CG2 4.47Å |
| 425 | R | 97.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.9 | -44 | 178.5 | -169.2 | -166.8 | 69.1 | 80.6 | 1.7 | 111.9 | Q421 E422 L423 R429 | Q421-R425 WeakPolarHBondContact O-CB 3.47Å; Q421-R425 PolarHBondContact O-N 2.85Å; E422-R425 PolarHBondContact O-N 3.38Å; E422-R425 IonicContact OE1-CZ 3.77Å; E422-R425 IonicContact OE1-NE 3.72Å; E422-R425 IonicContact OE1-NH2 3.73Å; E422-R425 PolarHBondContact OE1-NH2 3.48Å; E422-R425 IonicContact OE2-CZ 3.98Å; E422-R425 IonicContact OE2-NE 3.42Å; E422-R425 PolarHBondContact OE2-NE 3.36Å; E422-R425 IonicContact OE2-NH2 2.72Å; E422-R425 PolarHBondContact OE2-NH2 3.33Å; L423-R425 VanDerWaalsContact C-N 3.29Å; L423-R425 PolarHBondContact O-N 3.29Å; R425-R429 WeakPolarHBondContact O-CB 3.31Å; R425-R429 PolarHBondContact O-N 3.05Å |
| 426 | R | 97.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 41 Ų | 41 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 178.5 | -70 | -177.4 | -173.6 | -155.1 | 2.6 | 111.9 | E422 L423 L424 R429 S430 T470 E477 | E422-R426 WeakPolarHBondContact O-CG 3.46Å; E422-R426 PolarHBondContact O-N 3.15Å; E422-R426 IonicContact OE1-CZ 3.08Å; E422-R426 IonicContact OE1-NE 2.79Å; E422-R426 PolarHBondContact OE1-NE 3.19Å; E422-R426 IonicContact OE1-NH2 3.1Å; E422-R426 PolarHBondContact OE1-NH2 3.42Å; L423-R426 PolarHBondContact O-N 2.96Å; L423-R426 VanDerWaalsContact O-N 3.13Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 3.02Å; R426-R429 PolarHBondContact O-N 3.13Å; R426-S430 PolarHBondContact O-N 2.95Å; R426-T470 HydrophobicContact CB-CG2 3.77Å; R426-E477 IonicContact CZ-OE1 3.54Å; R426-E477 IonicContact CZ-OE2 3.91Å; R426-E477 VanDerWaalsContact NH1-CD 3.33Å; R426-E477 IonicContact NH1-OE1 3.93Å; R426-E477 PolarHBondContact NH1-OE1 3.3Å; R426-E477 IonicContact NH1-OE2 3.22Å; R426-E477 PolarHBondContact NH1-OE2 3.38Å; R426-E477 VanDerWaalsContact NH1-OE2 3.09Å; R426-E477 IonicContact NH2-OE1 2.79Å; R426-E477 IonicContact NH2-OE2 2.7Å; R426-E477 PolarHBondContact NH2-OE2 3.35Å |
| 427 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 178.1 | -63.9 | 170.5 | 0 | 0 | 0 | 111.7 | L423 L424 R429 S430 M433 L435 F466 I467 T470 | L423-L427 HydrophobicContact CD1-CD1 3.83Å; L423-L427 HydrophobicContact CD1-CD2 4.43Å; L423-L427 HydrophobicContact CD1-CG 4.01Å; L423-L427 HydrophobicContact CG-CD1 3.81Å; L423-L427 HydrophobicContact CG-CG 4.4Å; L423-L427 VanDerWaalsContact O-CG 3.29Å; L423-L427 WeakPolarHBondContact O-CG 3.41Å; L423-L427 PolarHBondContact O-N 3.41Å; L424-L427 PolarHBondContact O-N 3.36Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.33Å; L427-S430 PolarHBondContact O-N 3.27Å; L427-S430 PolarHBondContact O-OG 3.24Å; L427-M433 HydrophobicContact CB-SD 4.43Å; L427-M433 HydrophobicContact CD2-SD 4.26Å; L427-L435 HydrophobicContact CB-CD1 4.37Å; L427-L435 HydrophobicContact CD1-CD1 3.77Å; L427-F466 HydrophobicContact CD2-CD1 3.58Å; L427-F466 HydrophobicContact CD2-CE1 3.58Å; L427-I467 HydrophobicContact CD1-CG1 3.9Å; L427-I467 HydrophobicContact CD1-CG2 4.41Å; L427-I467 HydrophobicContact CD2-CG1 4.09Å; L427-T470 HydrophobicContact CD2-CG2 4.19Å |
| 428 | T | 92.4 | Very high | 96.9 | Very high | 37 Ų | 37 | 39.5 Ų | 39.5 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | I30 L424 S430 G431 Y434 | I30-T428 HydrophobicContact CD1-CG2 3.34Å; L424-T428 WeakPolarHBondContact O-CB 3.4Å; L424-T428 PolarHBondContact O-N 3.17Å; L424-T428 PolarHBondContact O-OG1 3.31Å; T428-S430 VanDerWaalsContact C-N 3.32Å; T428-S430 PolarHBondContact O-N 3.24Å; T428-G431 PolarHBondContact O-N 3.33Å; T428-Y434 HydrophobicContact CG2-CD2 4.28Å; T428-Y434 HydrophobicContact CG2-CE2 4.23Å |
| 429 | R | 93.5 | Very high | 96.8 | Very high | 162 Ų | 162 | 40 Ų | 40 | 61% | 0.611 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -69 | -26.2 | 179.7 | -170.3 | 178.2 | 69.1 | 166.6 | 2.6 | 113.4 | R425 R426 L427 G431 | R425-R429 WeakPolarHBondContact O-CB 3.31Å; R425-R429 PolarHBondContact O-N 3.05Å; R426-R429 PolarHBondContact O-N 3.13Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.33Å; R429-G431 PolarHBondContact O-N 3.49Å |
| 430 | S | 94.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 40 Ų | 40 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.8 | -25.6 | 174.8 | 75.6 | 0 | 0 | 0 | 0 | 111.9 | R426 L427 T428 T432 F466 | R426-S430 PolarHBondContact O-N 2.95Å; L427-S430 PolarHBondContact O-N 3.27Å; L427-S430 PolarHBondContact O-OG 3.24Å; T428-S430 VanDerWaalsContact C-N 3.32Å; T428-S430 PolarHBondContact O-N 3.24Å; S430-T432 PolarHBondContact O-N 3.01Å; S430-T432 VanDerWaalsContact O-N 3.16Å; S430-T432 PolarHBondContact OG-N 3.05Å; S430-T432 PolarHBondContact OG-OG1 3.04Å; S430-F466 WeakPolarHBondContact OG-CE1 3.27Å |
| 431 | G | 93.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | 68.2 | 2.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R28 V29 T428 R429 M433 | R28-G431 CarbonylContact C-O 3.48Å; R28-G431 VanDerWaalsContact CG-O 3.24Å; R28-G431 WeakPolarHBondContact CG-O 3.27Å; V29-G431 PolarHBondContact N-O 3.32Å; T428-G431 PolarHBondContact O-N 3.33Å; R429-G431 PolarHBondContact O-N 3.49Å; G431-M433 VanDerWaalsContact C-N 3.34Å | ||
| 432 | T | 94.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -74.6 | -28.4 | 179.7 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | V29 H75 S430 F466 | V29-T432 WeakPolarHBondContact CG2-O 3.21Å; H75-T432 VanDerWaalsContact CB-O 3.26Å; H75-T432 WeakPolarHBondContact CB-O 3.34Å; S430-T432 PolarHBondContact O-N 3.01Å; S430-T432 VanDerWaalsContact O-N 3.16Å; S430-T432 PolarHBondContact OG-N 3.05Å; S430-T432 PolarHBondContact OG-OG1 3.04Å; T432-F466 WeakPolarHBondContact OG1-CE1 3.35Å |
| 433 | M | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -142.6 | 160.3 | 175.6 | 64 | -177.5 | 57.3 | 0 | 0 | 110.2 | H75 L427 G431 L435 D463 F466 I467 | H75-M433 HydrophobicContact CB-CB 4.5Å; H75-M433 VanDerWaalsContact O-CA 3.22Å; H75-M433 WeakPolarHBondContact O-CA 3.27Å; H75-M433 WeakPolarHBondContact O-CB 3.44Å; L427-M433 HydrophobicContact CB-SD 4.43Å; L427-M433 HydrophobicContact CD2-SD 4.26Å; G431-M433 VanDerWaalsContact C-N 3.34Å; M433-L435 HydrophobicContact CG-CD1 4.36Å; M433-L435 HydrophobicContact SD-CD1 3.65Å; M433-L435 HydrophobicContact SD-CG 4.33Å; M433-D463 HydrophobicContact CE-CB 3.59Å; M433-D463 WeakPolarHBondContact CE-O 3.38Å; M433-D463 WeakPolarHBondContact CE-OD1 3.42Å; M433-F466 HydrophobicContact CE-CB 4.14Å; M433-F466 HydrophobicContact CE-CD1 3.66Å; M433-F466 HydrophobicContact CE-CG 4.36Å; M433-F466 HydrophobicContact SD-CD1 4.28Å; M433-I467 HydrophobicContact CE-CG1 4.25Å; M433-I467 HydrophobicContact SD-CD1 4.11Å; M433-I467 HydrophobicContact SD-CG1 3.88Å |
| 434 | Y | 98.5 | Very high | 95.7 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -118.8 | 119.6 | 171.1 | -164.5 | -177.5 | 0 | 0 | 0 | 111.3 | I30 V69 H75 M76 H77 A78 Y79 T428 I436 | I30-Y434 HydrophobicContact CD1-CD1 4.02Å; I30-Y434 HydrophobicContact CD1-CD2 3.18Å; I30-Y434 HydrophobicContact CD1-CE1 4.48Å; I30-Y434 HydrophobicContact CD1-CE2 3.76Å; I30-Y434 HydrophobicContact CD1-CG 3.33Å; I30-Y434 HydrophobicContact CG1-CD1 3.81Å; I30-Y434 HydrophobicContact CG1-CD2 3.91Å; I30-Y434 HydrophobicContact CG1-CE1 4.43Å; I30-Y434 HydrophobicContact CG1-CG 3.5Å; V69-Y434 HydrophobicContact CG1-CD1 3.82Å; V69-Y434 HydrophobicContact CG1-CE1 4.06Å; V69-Y434 HydrophobicContact CG2-CE1 4.5Å; H75-Y434 PolarHBondContact O-N 3Å; H75-Y434 VanDerWaalsContact O-N 3.12Å; M76-Y434 HydrophobicContact CE-CD1 4.15Å; M76-Y434 HydrophobicContact SD-CD1 3.72Å; M76-Y434 HydrophobicContact SD-CG 4.16Å; H77-Y434 CarbonylContact C-O 3.57Å; H77-Y434 WeakPolarHBondContact CA-O 3.38Å; H77-Y434 WeakPolarHBondContact CB-O 3.36Å; H77-Y434 PolarHBondContact N-O 3.08Å; A78-Y434 HydrophobicContact CB-CD1 3.72Å; A78-Y434 HydrophobicContact CB-CD2 3.83Å; A78-Y434 HydrophobicContact CB-CE1 4.1Å; A78-Y434 HydrophobicContact CB-CE2 4.18Å; A78-Y434 HydrophobicContact CB-CG 3.58Å; A78-Y434 PolarHBondContact N-O 3.46Å; Y79-Y434 HydrophobicContact CE2-CE1 4.02Å; Y79-Y434 PolarHBondContact OH-OH 3.17Å; T428-Y434 HydrophobicContact CG2-CD2 4.28Å; T428-Y434 HydrophobicContact CG2-CE2 4.23Å; Y434-I436 HydrophobicContact CD2-CG2 4.32Å; Y434-I436 HydrophobicContact CE2-CG2 3.73Å |
| 435 | L | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -123 | 154.9 | 172.8 | -64 | 162.3 | 0 | 0 | 0 | 108.8 | H77 L424 L427 M433 I446 R447 F448 I467 | H77-L435 HydrophobicContact CB-CD2 3.57Å; H77-L435 HydrophobicContact CB-CG 4.46Å; L424-L435 HydrophobicContact CD1-CB 3.56Å; L427-L435 HydrophobicContact CB-CD1 4.37Å; L427-L435 HydrophobicContact CD1-CD1 3.77Å; M433-L435 HydrophobicContact CG-CD1 4.36Å; M433-L435 HydrophobicContact SD-CD1 3.65Å; M433-L435 HydrophobicContact SD-CG 4.33Å; L435-I446 HydrophobicContact CB-CG2 4.04Å; L435-I446 HydrophobicContact CD1-CG2 4.02Å; L435-I446 HydrophobicContact CD2-CG2 4.16Å; L435-I446 HydrophobicContact CG-CG2 4.31Å; L435-R447 VanDerWaalsContact CD2-O 3.22Å; L435-R447 WeakPolarHBondContact CD2-O 3.22Å; L435-F448 HydrophobicContact CD2-CB 3.94Å; L435-F448 HydrophobicContact CD2-CD2 3.69Å; L435-F448 HydrophobicContact CD2-CG 4.08Å; L435-I467 HydrophobicContact CD1-CD1 4.31Å | ||
| 436 | I | 97.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 155 | 175.1 | 59.6 | 167.5 | 0 | 0 | 0 | 110.8 | A78 Y79 Y434 R447 | A78-I436 HydrophobicContact CB-CB 4.49Å; A78-I436 HydrophobicContact CB-CG1 4.28Å; A78-I436 HydrophobicContact CB-CG2 3.68Å; Y79-I436 HydrophobicContact CD1-CD1 3.47Å; Y79-I436 VanDerWaalsContact CD1-CD1 3.47Å; Y79-I436 HydrophobicContact CE1-CD1 3.75Å; Y79-I436 HydrophobicContact CE1-CG2 4.5Å; Y79-I436 HydrophobicContact CE2-CG2 4.4Å; Y79-I436 HydrophobicContact CG-CD1 3.93Å; Y79-I436 VanDerWaalsContact N-CD1 3.28Å; Y434-I436 HydrophobicContact CD2-CG2 4.32Å; Y434-I436 HydrophobicContact CE2-CG2 3.73Å; I436-R447 PolarHBondContact O-N 2.99Å |
| 437 | P | 98.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 45 Ų | 45 | 31% | 0.312 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 162 | 177.5 | 31.3 | -24.3 | 0 | 0 | 0 | 111.6 | L424 I445 | L424-P437 HydrophobicContact CD2-CB 3.6Å; L424-P437 HydrophobicContact CD2-CG 3.75Å; P437-I445 CarbonylContact C-O 3.48Å; P437-I445 WeakPolarHBondContact CA-O 3.2Å |
| 438 | A | 97.5 | Very high | 96 | Very high | 21 Ų | 21 | 45 Ų | 45 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | -177.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R444 I445 R447 | A438-R444 WeakPolarHBondContact O-CD 3.43Å; A438-I445 VanDerWaalsContact C-CG1 3.43Å; A438-I445 HydrophobicContact CB-CD1 3.92Å; A438-I445 HydrophobicContact CB-CG1 3.91Å; A438-I445 PolarHBondContact N-O 3.37Å; A438-I445 WeakPolarHBondContact O-CG1 3.1Å; A438-I445 PolarHBondContact O-N 2.97Å; A438-R447 HydrophobicContact CB-CG 4.06Å |
| 439 | E | 95.1 | Very high | 96.3 | Very high | 97 Ų | 97 | 43.2 Ų | 43.2 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.4 | 178.3 | -62.6 | -170.7 | 146.5 | 0 | 0 | 110.7 | K443 R444 | E439-K443 WeakPolarHBondContact CA-O 3.48Å; E439-R444 IonicContact OE1-CZ 3.14Å; E439-R444 IonicContact OE1-NE 3.97Å; E439-R444 PolarHBondContact OE1-NE 2.85Å; E439-R444 VanDerWaalsContact OE1-NE 3.1Å; E439-R444 IonicContact OE1-NH2 2.83Å; E439-R444 PolarHBondContact OE1-NH2 3.11Å |
| 440 | I | 93.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107.5 | 166 | -59 | 171.6 | 0 | 0 | 0 | 105.8 | L217 V250 P401 A402 T442 K443 I445 | L217-I440 HydrophobicContact CD1-CD1 4.3Å; L217-I440 HydrophobicContact CD1-CG1 4.26Å; L217-I440 HydrophobicContact CD1-CG2 3.91Å; L217-I440 HydrophobicContact CD2-CG2 4.19Å; V250-I440 HydrophobicContact CG1-CD1 3.57Å; V250-I440 HydrophobicContact CG1-CG1 3.7Å; P401-I440 HydrophobicContact CB-CD1 4.04Å; P401-I440 HydrophobicContact CG-CD1 3.84Å; A402-I440 HydrophobicContact CB-CD1 4.1Å; I440-T442 PolarHBondContact O-N 2.85Å; I440-K443 PolarHBondContact N-O 3.39Å; I440-K443 WeakPolarHBondContact O-CB 3.41Å; I440-K443 PolarHBondContact O-N 3.01Å; I440-I445 HydrophobicContact CD1-CD1 3.98Å; I440-I445 HydrophobicContact CD1-CG2 4.16Å; I440-I445 HydrophobicContact CG1-CD1 3.87Å; I440-I445 HydrophobicContact CG1-CG1 4.48Å; I440-I445 HydrophobicContact CG1-CG2 4.45Å |
| 441 | H | 89.9 | Confident | 96.8 | Very high | 136 Ų | 136 | 33.8 Ų | 33.8 | 63% | 0.63 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | -111.9 | -167.3 | -50.1 | -62.7 | 0 | 0 | 0 | 110.8 | ||
| 442 | T | 92.7 | Very high | 97 | Very high | 122 Ų | 122 | 34.1 Ų | 34.1 | 75% | 0.748 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 2.2 | 178.3 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | N417 I440 | N417-T442 PolarHBondContact ND2-O 2.95Å; I440-T442 PolarHBondContact O-N 2.85Å |
| 443 | K | 95.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 27% | 0.265 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.4 | -174.6 | -166.8 | 170.1 | -169.7 | 163.4 | 0 | 111.1 | E399 P401 C412 E439 I440 | E399-K443 WeakPolarHBondContact OE1-CE 3.22Å; E399-K443 IonicContact OE1-NZ 3.87Å; E399-K443 PolarHBondContact OE1-NZ 3.36Å; E399-K443 IonicContact OE2-NZ 3Å; E399-K443 PolarHBondContact OE2-NZ 3.42Å; P401-K443 HydrophobicContact CB-CD 4.2Å; C412-K443 WeakPolarHBondContact SG-CE 3.18Å; E439-K443 WeakPolarHBondContact CA-O 3.48Å; I440-K443 PolarHBondContact N-O 3.39Å; I440-K443 WeakPolarHBondContact O-CB 3.41Å; I440-K443 PolarHBondContact O-N 3.01Å |
| 444 | R | 97.9 | Very high | 97.3 | Very high | 69 Ų | 69 | 37.5 Ų | 37.5 | 26% | 0.26 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 126 | 176.8 | -176.5 | 61.6 | 61 | 137 | 0.1 | 109.5 | C412 N417 T420 A438 E439 | C412-R444 WeakPolarHBondContact CB-O 3.37Å; N417-R444 HydrophobicContact CB-CB 3.9Å; N417-R444 PolarHBondContact OD1-N 3.46Å; T420-R444 HydrophobicContact CG2-CG 4.47Å; A438-R444 WeakPolarHBondContact O-CD 3.43Å; E439-R444 IonicContact OE1-CZ 3.14Å; E439-R444 IonicContact OE1-NE 3.97Å; E439-R444 PolarHBondContact OE1-NE 2.85Å; E439-R444 VanDerWaalsContact OE1-NE 3.1Å; E439-R444 IonicContact OE1-NH2 2.83Å; E439-R444 PolarHBondContact OE1-NH2 3.11Å |
| 445 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 151.7 | -179 | 55.6 | 161 | 0 | 0 | 0 | 111.4 | V250 P401 V410 C412 P437 A438 I440 | V250-I445 HydrophobicContact CG1-CD1 3.99Å; P401-I445 HydrophobicContact CG-CG2 3.53Å; V410-I445 HydrophobicContact CB-CD1 3.78Å; V410-I445 HydrophobicContact CG1-CD1 3.84Å; V410-I445 HydrophobicContact CG2-CD1 4.26Å; C412-I445 HydrophobicContact CB-CG2 4.41Å; P437-I445 CarbonylContact C-O 3.48Å; P437-I445 WeakPolarHBondContact CA-O 3.2Å; A438-I445 VanDerWaalsContact C-CG1 3.43Å; A438-I445 HydrophobicContact CB-CD1 3.92Å; A438-I445 HydrophobicContact CB-CG1 3.91Å; A438-I445 PolarHBondContact N-O 3.37Å; A438-I445 WeakPolarHBondContact O-CG1 3.1Å; A438-I445 PolarHBondContact O-N 2.97Å; I440-I445 HydrophobicContact CD1-CD1 3.98Å; I440-I445 HydrophobicContact CD1-CG2 4.16Å; I440-I445 HydrophobicContact CG1-CD1 3.87Å; I440-I445 HydrophobicContact CG1-CG1 4.48Å; I440-I445 HydrophobicContact CG1-CG2 4.45Å |
| 446 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.5 | 166.4 | -63.2 | 173.4 | 0 | 0 | 0 | 107.4 | V410 F411 T420 L423 L424 L435 | V410-I446 WeakPolarHBondContact CA-O 3.41Å; F411-I446 HydrophobicContact CD2-CB 4.49Å; F411-I446 HydrophobicContact CE1-CB 4.23Å; F411-I446 HydrophobicContact CE1-CG2 3.88Å; F411-I446 HydrophobicContact CE2-CB 4.15Å; F411-I446 HydrophobicContact CE2-CD1 4.05Å; F411-I446 HydrophobicContact CE2-CG2 4.26Å; F411-I446 HydrophobicContact CZ-CB 4.01Å; F411-I446 HydrophobicContact CZ-CD1 4.41Å; F411-I446 HydrophobicContact CZ-CG2 3.66Å; F411-I446 PolarHBondContact N-O 2.82Å; F411-I446 PolarHBondContact O-N 3.32Å; T420-I446 HydrophobicContact CG2-CD1 4.04Å; T420-I446 HydrophobicContact CG2-CG1 3.78Å; L423-I446 HydrophobicContact CD2-CD1 3.94Å; L423-I446 HydrophobicContact CG-CD1 4.16Å; L424-I446 HydrophobicContact CB-CD1 4.13Å; L424-I446 HydrophobicContact CB-CG1 4.18Å; L424-I446 HydrophobicContact CD1-CG1 4.48Å; L424-I446 HydrophobicContact CD1-CG2 4.47Å; L435-I446 HydrophobicContact CB-CG2 4.04Å; L435-I446 HydrophobicContact CD1-CG2 4.02Å; L435-I446 HydrophobicContact CD2-CG2 4.16Å; L435-I446 HydrophobicContact CG-CG2 4.31Å |
| 447 | R | 98.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127 | 173.3 | -66 | 173.4 | 68.5 | -92.2 | 4 | 109.6 | Y79 T248 G249 L408 V410 L435 I436 A438 | Y79-R447 PolarHBondContact O-NH1 2.96Å; Y79-R447 PolarHBondContact O-NH2 3.23Å; T248-R447 VanDerWaalsContact O-CZ 3.25Å; T248-R447 PolarHBondContact O-NE 3.4Å; T248-R447 PolarHBondContact O-NH2 3.19Å; G249-R447 WeakPolarHBondContact O-CD 3.35Å; G249-R447 PolarHBondContact O-NE 3.48Å; L408-R447 HydrophobicContact CD1-CB 3.88Å; L408-R447 HydrophobicContact CD1-CG 4.34Å; V410-R447 HydrophobicContact CG1-CG 4.02Å; L435-R447 VanDerWaalsContact CD2-O 3.22Å; L435-R447 WeakPolarHBondContact CD2-O 3.22Å; I436-R447 PolarHBondContact O-N 2.99Å; A438-R447 HydrophobicContact CB-CG 4.06Å |
| 448 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 109.1 | 170.5 | -171.8 | -64.5 | 0 | 0 | 0 | 109.4 | H77 L388 V409 F411 L435 V450 I460 D463 I467 | H77-F448 HydrophobicContact CB-CD1 4.21Å; H77-F448 HydrophobicContact CB-CD2 4.16Å; H77-F448 HydrophobicContact CB-CE1 4.41Å; H77-F448 HydrophobicContact CB-CE2 4.37Å; H77-F448 HydrophobicContact CB-CG 4.08Å; H77-F448 AromaticContact CD2-CD2 3.99Å; H77-F448 AromaticContact CD2-CE2 3.37Å; H77-F448 WeakPolarHBondContact CD2-CE2 3.39Å; H77-F448 AromaticContact CD2-CZ 3.39Å; H77-F448 WeakPolarHBondContact CD2-CZ 3.04Å; H77-F448 AromaticContact CE1-CE1 3.39Å; H77-F448 WeakPolarHBondContact CE1-CE1 3.4Å; H77-F448 AromaticContact CE1-CZ 3.18Å; H77-F448 WeakPolarHBondContact CE1-CZ 3.48Å; H77-F448 AromaticContact CG-CD1 3.93Å; H77-F448 AromaticContact CG-CD2 3.96Å; H77-F448 AromaticContact CG-CE1 3.65Å; H77-F448 AromaticContact CG-CE2 3.69Å; H77-F448 AromaticContact CG-CZ 3.53Å; H77-F448 AromaticContact ND1-CD1 3.81Å; H77-F448 AromaticContact ND1-CE1 3.25Å; H77-F448 WeakPolarHBondContact ND1-CE1 3.35Å; H77-F448 AromaticContact ND1-CZ 3.41Å; H77-F448 WeakPolarHBondContact ND1-CZ 3.08Å; H77-F448 AromaticContact NE2-CE1 3.86Å; H77-F448 AromaticContact NE2-CE2 3.6Å; H77-F448 AromaticContact NE2-CZ 3.17Å; H77-F448 WeakPolarHBondContact NE2-CZ 3.49Å; L388-F448 HydrophobicContact CD1-CE2 4.45Å; L388-F448 HydrophobicContact CD2-CB 3.74Å; L388-F448 HydrophobicContact CD2-CD1 3.18Å; L388-F448 HydrophobicContact CD2-CD2 3.56Å; L388-F448 HydrophobicContact CD2-CE1 3.53Å; L388-F448 HydrophobicContact CD2-CE2 3.86Å; L388-F448 HydrophobicContact CD2-CG 3.2Å; L388-F448 HydrophobicContact CD2-CZ 3.84Å; V409-F448 PolarHBondContact N-O 2.97Å; V409-F448 PolarHBondContact O-N 3.22Å; F411-F448 HydrophobicContact CE1-CB 3.98Å; L435-F448 HydrophobicContact CD2-CB 3.94Å; L435-F448 HydrophobicContact CD2-CD2 3.69Å; L435-F448 HydrophobicContact CD2-CG 4.08Å; F448-V450 HydrophobicContact CE1-CG2 4.19Å; F448-I460 HydrophobicContact CE1-CD1 3.89Å; F448-I460 HydrophobicContact CZ-CD1 3.98Å; F448-D463 HydrophobicContact CE2-CB 4.2Å; F448-D463 HydrophobicContact CZ-CB 4.42Å; F448-I467 HydrophobicContact CD2-CD1 4.14Å; F448-I467 HydrophobicContact CE2-CD1 4.19Å |
| 449 | T | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.4 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 110.2 | H77 Y79 Y80 P81 G407 T451 | H77-T449 VanDerWaalsContact CA-O 3.32Å; H77-T449 WeakPolarHBondContact CA-O 3.34Å; H77-T449 PolarHBondContact ND1-O 3.3Å; H77-T449 PolarHBondContact O-N 2.81Å; Y79-T449 PolarHBondContact O-OG1 3.26Å; Y80-T449 HydrophobicContact CD1-CG2 4.05Å; P81-T449 HydrophobicContact CG-CG2 3.92Å; G407-T449 WeakPolarHBondContact O-CA 3.22Å; T449-T451 HydrophobicContact CG2-CG2 4.27Å; T449-T451 PolarHBondContact O-N 2.81Å |
| 450 | V | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | trans | -70.8 | 123.5 | 165.7 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | M384 A385 G407 F448 T455 I460 | M384-V450 HydrophobicContact CB-CG1 3.92Å; M384-V450 HydrophobicContact CB-CG2 3.98Å; A385-V450 HydrophobicContact CB-CG2 3.81Å; G407-V450 PolarHBondContact O-N 3.28Å; F448-V450 HydrophobicContact CE1-CG2 4.19Å; V450-T455 HydrophobicContact CG1-CG2 4.28Å; V450-I460 HydrophobicContact CG2-CD1 4.05Å | ||
| 451 | T | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | trans | -110.8 | -85.3 | -173.6 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | S73 M76 P81 L83 T449 Q453 | S73-T451 PolarHBondContact O-OG1 3.16Å; M76-T451 HydrophobicContact CG-CG2 4.33Å; M76-T451 WeakPolarHBondContact O-CB 3.41Å; M76-T451 WeakPolarHBondContact O-CG2 3.22Å; M76-T451 PolarHBondContact O-OG1 3.4Å; P81-T451 HydrophobicContact CB-CG2 3.94Å; P81-T451 HydrophobicContact CG-CG2 3.96Å; L83-T451 WeakPolarHBondContact CD1-O 3.31Å; T449-T451 HydrophobicContact CG2-CG2 4.27Å; T449-T451 PolarHBondContact O-N 2.81Å; T451-Q453 PolarHBondContact O-N 2.98Å | ||
| 452 | S | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | trans | -51.1 | 135.1 | -168.3 | -175.8 | 0 | 0 | 0 | 0 | 112 | Q72 F454 T455 | Q72-S452 PolarHBondContact O-OG 2.88Å; S452-F454 PolarHBondContact O-N 3.32Å; S452-F454 PolarHBondContact OG-N 3.26Å; S452-T455 WeakPolarHBondContact O-CB 3.32Å; S452-T455 PolarHBondContact O-N 3.46Å; S452-T455 PolarHBondContact O-OG1 2.83Å | ||
| 453 | Q | 98.5 | Very high | 98.6 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -14.8 | 172.2 | 66.2 | -87.8 | 26.4 | 0 | 0 | 113.3 | T84 M308 H377 T451 | T84-Q453 PolarHBondContact O-NE2 3.31Å; M308-Q453 HydrophobicContact CG-CB 4.36Å; M308-Q453 HydrophobicContact SD-CB 3.62Å; M308-Q453 HydrophobicContact SD-CG 3.76Å; H377-Q453 VanDerWaalsContact CE1-CB 3.44Å; H377-Q453 WeakPolarHBondContact CE1-CB 3.25Å; H377-Q453 WeakPolarHBondContact ND1-CB 3.39Å; T451-Q453 PolarHBondContact O-N 2.98Å |
| 454 | F | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 33.2 Ų | 33.2 | 45% | 0.447 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 1.8 | 177.9 | -57.6 | -64 | 0 | 0 | 0 | 113.6 | R25 S452 T456 | R25-F454 PolarHBondContact NH2-O 3.3Å; S452-F454 PolarHBondContact O-N 3.32Å; S452-F454 PolarHBondContact OG-N 3.26Å; F454-T456 WeakPolarHBondContact O-CG2 3.43Å; F454-T456 PolarHBondContact O-N 3.43Å |
| 455 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | trans | -56.2 | 130.9 | 177.8 | -53 | 0 | 0 | 0 | 0 | 110.1 | H380 V450 S452 D459 I460 | H380-T455 PolarHBondContact NE2-O 2.94Å; V450-T455 HydrophobicContact CG1-CG2 4.28Å; S452-T455 WeakPolarHBondContact O-CB 3.32Å; S452-T455 PolarHBondContact O-N 3.46Å; S452-T455 PolarHBondContact O-OG1 2.83Å; T455-D459 WeakPolarHBondContact CA-OD2 3.35Å; T455-D459 HydrophobicContact CG2-CB 4.09Å; T455-I460 HydrophobicContact CG2-CD1 3.84Å; T455-I460 HydrophobicContact CG2-CG1 4.05Å | ||
| 456 | T | 98.9 | Very high | 98.8 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 33% | 0.331 | 19% | 0.187 | S | C | . | . | trans | -111.3 | 170.7 | 178.3 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | F454 E458 D459 I460 | F454-T456 WeakPolarHBondContact O-CG2 3.43Å; F454-T456 PolarHBondContact O-N 3.43Å; T456-E458 PolarHBondContact O-N 2.67Å; T456-E458 PolarHBondContact OG1-N 3.44Å; T456-D459 PolarHBondContact N-OD2 3.47Å; T456-D459 PolarHBondContact O-N 3.38Å; T456-D459 PolarHBondContact OG1-N 2.79Å; T456-D459 PolarHBondContact OG1-OD2 3.13Å; T456-I460 PolarHBondContact O-N 2.97Å | ||
| 457 | A | 98.8 | Very high | 98.8 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 36% | 0.355 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.7 | -34 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M384 L387 I460 L461 | M384-A457 HydrophobicContact SD-CB 4.39Å; M384-A457 PolarHBondContact SD-N 2.94Å; M384-A457 VanDerWaalsContact SD-N 3.42Å; L387-A457 HydrophobicContact CD2-CB 3.65Å; A457-I460 PolarHBondContact O-N 3.39Å; A457-L461 WeakPolarHBondContact O-CB 3.43Å; A457-L461 WeakPolarHBondContact O-CG 3.45Å; A457-L461 PolarHBondContact O-N 3.32Å |
| 458 | E | 98.8 | Very high | 98.7 | Very high | 148 Ų | 148 | 36.8 Ų | 36.8 | 69% | 0.692 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.9 | -42.9 | 176.6 | -174.7 | -179 | 177.1 | 0 | 0 | 111.7 | T456 I460 L461 K462 | T456-E458 PolarHBondContact O-N 2.67Å; T456-E458 PolarHBondContact OG1-N 3.44Å; E458-I460 VanDerWaalsContact C-N 3.35Å; E458-I460 PolarHBondContact O-N 2.86Å; E458-L461 PolarHBondContact O-N 3.25Å; E458-K462 VanDerWaalsContact O-CB 3.23Å; E458-K462 WeakPolarHBondContact O-CB 3.47Å; E458-K462 PolarHBondContact O-N 2.98Å |
| 459 | D | 98.8 | Very high | 98.7 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 175.6 | -61.8 | -46.8 | 0 | 0 | 0 | 110.1 | R25 P74 H75 T455 T456 L461 K462 D463 | R25-D459 IonicContact CZ-OD1 3.41Å; R25-D459 IonicContact CZ-OD2 3.58Å; R25-D459 IonicContact NE-OD1 2.83Å; R25-D459 PolarHBondContact NE-OD1 3.22Å; R25-D459 IonicContact NE-OD2 3.84Å; R25-D459 PolarHBondContact NE-OD2 3.01Å; R25-D459 IonicContact NH2-OD1 3.62Å; R25-D459 IonicContact NH2-OD2 3.38Å; R25-D459 PolarHBondContact NH2-OD2 3.35Å; P74-D459 HydrophobicContact CB-CB 4.29Å; H75-D459 IonicContact CE1-OD1 3.75Å; T455-D459 WeakPolarHBondContact CA-OD2 3.35Å; T455-D459 HydrophobicContact CG2-CB 4.09Å; T456-D459 PolarHBondContact N-OD2 3.47Å; T456-D459 PolarHBondContact O-N 3.38Å; T456-D459 PolarHBondContact OG1-N 2.79Å; T456-D459 PolarHBondContact OG1-OD2 3.13Å; D459-L461 PolarHBondContact O-N 3.33Å; D459-K462 PolarHBondContact O-N 2.69Å; D459-D463 PolarHBondContact O-N 3.07Å |
| 460 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 179.1 | -63.1 | -60.4 | 0 | 0 | 0 | 112.2 | M384 L387 L388 F448 V450 T455 T456 A457 E458 K462 D463 W464 | M384-I460 HydrophobicContact CB-CD1 4.22Å; M384-I460 HydrophobicContact CB-CG1 3.97Å; M384-I460 HydrophobicContact CG-CG1 4.43Å; M384-I460 HydrophobicContact SD-CG1 4.2Å; L387-I460 HydrophobicContact CD2-CB 4.33Å; L387-I460 HydrophobicContact CD2-CG2 4.2Å; L387-I460 HydrophobicContact CG-CG2 4.22Å; L388-I460 HydrophobicContact CB-CG2 3.78Å; L388-I460 HydrophobicContact CD1-CG2 4.32Å; F448-I460 HydrophobicContact CE1-CD1 3.89Å; F448-I460 HydrophobicContact CZ-CD1 3.98Å; V450-I460 HydrophobicContact CG2-CD1 4.05Å; T455-I460 HydrophobicContact CG2-CD1 3.84Å; T455-I460 HydrophobicContact CG2-CG1 4.05Å; T456-I460 PolarHBondContact O-N 2.97Å; A457-I460 PolarHBondContact O-N 3.39Å; E458-I460 VanDerWaalsContact C-N 3.35Å; E458-I460 PolarHBondContact O-N 2.86Å; I460-K462 VanDerWaalsContact C-N 3.35Å; I460-D463 PolarHBondContact O-N 3.05Å; I460-W464 WeakPolarHBondContact O-CB 3.44Å; I460-W464 PolarHBondContact O-N 3.33Å |
| 461 | L | 98.8 | Very high | 98.6 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 37% | 0.366 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67 | -37.7 | -179.1 | -69.3 | 173.8 | 0 | 0 | 0 | 111.8 | L387 H391 A457 E458 D459 A465 | L387-L461 HydrophobicContact CD2-CG 4.49Å; H391-L461 WeakPolarHBondContact NE2-CD2 3.26Å; A457-L461 WeakPolarHBondContact O-CB 3.43Å; A457-L461 WeakPolarHBondContact O-CG 3.45Å; A457-L461 PolarHBondContact O-N 3.32Å; E458-L461 PolarHBondContact O-N 3.25Å; D459-L461 PolarHBondContact O-N 3.33Å; L461-A465 VanDerWaalsContact O-CB 3.26Å; L461-A465 WeakPolarHBondContact O-CB 3.27Å; L461-A465 PolarHBondContact O-N 2.9Å |
| 462 | K | 98.4 | Very high | 98.6 | Very high | 124 Ų | 124 | 47.9 Ų | 47.9 | 54% | 0.539 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 175.5 | 179.6 | -175.1 | 174 | -168.2 | 0 | 111.2 | E458 D459 I460 A465 F466 | E458-K462 VanDerWaalsContact O-CB 3.23Å; E458-K462 WeakPolarHBondContact O-CB 3.47Å; E458-K462 PolarHBondContact O-N 2.98Å; D459-K462 PolarHBondContact O-N 2.69Å; I460-K462 VanDerWaalsContact C-N 3.35Å; K462-A465 PolarHBondContact O-N 3.41Å; K462-F466 PolarHBondContact O-N 3.31Å; K462-F466 VanDerWaalsContact O-N 3.11Å |
| 463 | D | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.027 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 179.3 | -70.7 | -32.3 | 0 | 0 | 0 | 111.2 | H75 H77 M433 F448 D459 I460 F466 I467 | H75-D463 IonicContact CE1-OD1 3.52Å; H75-D463 IonicContact CE1-OD2 2.77Å; H75-D463 IonicContact CG-OD1 3.36Å; H75-D463 IonicContact CG-OD2 3.27Å; H75-D463 IonicContact ND1-OD1 3.76Å; H75-D463 PolarHBondContact ND1-OD1 3.38Å; H75-D463 IonicContact ND1-OD2 3.7Å; H75-D463 PolarHBondContact ND1-OD2 2.99Å; H77-D463 IonicContact NE2-OD2 3.05Å; H77-D463 PolarHBondContact NE2-OD2 3.09Å; H77-D463 VanDerWaalsContact NE2-OD2 3.08Å; M433-D463 HydrophobicContact CE-CB 3.59Å; M433-D463 WeakPolarHBondContact CE-O 3.38Å; M433-D463 WeakPolarHBondContact CE-OD1 3.42Å; F448-D463 HydrophobicContact CE2-CB 4.2Å; F448-D463 HydrophobicContact CZ-CB 4.42Å; D459-D463 PolarHBondContact O-N 3.07Å; I460-D463 PolarHBondContact O-N 3.05Å; D463-F466 PolarHBondContact O-N 3.05Å; D463-I467 VanDerWaalsContact O-CG1 3.29Å; D463-I467 WeakPolarHBondContact O-CG1 3.31Å; D463-I467 PolarHBondContact O-N 3.34Å |
| 464 | W | 98.8 | Very high | 98.4 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 8% | 0.08 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 172.8 | 173.5 | -111.2 | 0 | 0 | 0 | 112.8 | L388 H391 I392 D395 F398 I460 F466 I467 S468 | L388-W464 HydrophobicContact CD1-CB 3.94Å; L388-W464 HydrophobicContact CD1-CD2 4.41Å; L388-W464 HydrophobicContact CD1-CE3 4.03Å; L388-W464 HydrophobicContact CD1-CG 4.41Å; H391-W464 HydrophobicContact CB-CD2 4.07Å; H391-W464 HydrophobicContact CB-CG 3.95Å; H391-W464 AromaticContact CG-CD1 3.88Å; H391-W464 AromaticContact ND1-CD1 3.98Å; I392-W464 HydrophobicContact CB-CH2 4.21Å; I392-W464 HydrophobicContact CB-CZ3 4.23Å; I392-W464 HydrophobicContact CD1-CZ3 4.42Å; I392-W464 HydrophobicContact CG1-CE3 3.75Å; I392-W464 HydrophobicContact CG1-CH2 3.81Å; I392-W464 HydrophobicContact CG1-CZ3 3.33Å; D395-W464 HydrophobicContact CB-CH2 4.18Å; D395-W464 HydrophobicContact CB-CZ2 3.84Å; F398-W464 AromaticContact CD2-CH2 3.74Å; F398-W464 HydrophobicContact CD2-CH2 3.74Å; F398-W464 AromaticContact CE2-CH2 3.69Å; F398-W464 HydrophobicContact CE2-CH2 3.69Å; F398-W464 HydrophobicContact CE2-CZ3 4.35Å; F398-W464 HydrophobicContact CG-CH2 4.24Å; F398-W464 HydrophobicContact CZ-CH2 4.17Å; F398-W464 HydrophobicContact CZ-CZ3 4.37Å; I460-W464 WeakPolarHBondContact O-CB 3.44Å; I460-W464 PolarHBondContact O-N 3.33Å; W464-F466 PolarHBondContact O-N 3.03Å; W464-I467 HydrophobicContact CE3-CB 4.21Å; W464-I467 HydrophobicContact CE3-CG2 4.14Å; W464-I467 HydrophobicContact CZ3-CB 4.43Å; W464-I467 HydrophobicContact CZ3-CG2 3.88Å; W464-I467 WeakPolarHBondContact O-CB 3.39Å; W464-I467 PolarHBondContact O-N 3.24Å; W464-I467 VanDerWaalsContact O-N 3.08Å; W464-S468 PolarHBondContact O-N 2.95Å |
| 465 | A | 98.6 | Very high | 98.2 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -37.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L461 K462 K469 | L461-A465 VanDerWaalsContact O-CB 3.26Å; L461-A465 WeakPolarHBondContact O-CB 3.27Å; L461-A465 PolarHBondContact O-N 2.9Å; K462-A465 PolarHBondContact O-N 3.41Å; A465-K469 VanDerWaalsContact O-CB 3.23Å; A465-K469 WeakPolarHBondContact O-CB 3.48Å; A465-K469 PolarHBondContact O-N 3.31Å |
| 466 | F | 98.5 | Very high | 97.9 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 30% | 0.303 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 174.4 | -173.9 | -113.6 | 0 | 0 | 0 | 112.5 | L427 S430 T432 M433 K462 D463 W464 T470 | L427-F466 HydrophobicContact CD2-CD1 3.58Å; L427-F466 HydrophobicContact CD2-CE1 3.58Å; S430-F466 WeakPolarHBondContact OG-CE1 3.27Å; T432-F466 WeakPolarHBondContact OG1-CE1 3.35Å; M433-F466 HydrophobicContact CE-CB 4.14Å; M433-F466 HydrophobicContact CE-CD1 3.66Å; M433-F466 HydrophobicContact CE-CG 4.36Å; M433-F466 HydrophobicContact SD-CD1 4.28Å; K462-F466 PolarHBondContact O-N 3.31Å; K462-F466 VanDerWaalsContact O-N 3.11Å; D463-F466 PolarHBondContact O-N 3.05Å; W464-F466 PolarHBondContact O-N 3.03Å; F466-T470 VanDerWaalsContact O-CB 3.31Å; F466-T470 WeakPolarHBondContact O-CB 3.42Å; F466-T470 PolarHBondContact O-N 3.46Å; F466-T470 PolarHBondContact O-OG1 3.41Å |
| 467 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -54 | 175.1 | -68.1 | 162.1 | 0 | 0 | 0 | 110.8 | F398 F411 L427 M433 L435 F448 D463 W464 T470 A471 | F398-I467 HydrophobicContact CE1-CG2 4.24Å; F398-I467 HydrophobicContact CZ-CG2 4Å; F411-I467 HydrophobicContact CE2-CG2 4.03Å; F411-I467 HydrophobicContact CZ-CD1 4.22Å; F411-I467 HydrophobicContact CZ-CG2 4.18Å; L427-I467 HydrophobicContact CD1-CG1 3.9Å; L427-I467 HydrophobicContact CD1-CG2 4.41Å; L427-I467 HydrophobicContact CD2-CG1 4.09Å; M433-I467 HydrophobicContact CE-CG1 4.25Å; M433-I467 HydrophobicContact SD-CD1 4.11Å; M433-I467 HydrophobicContact SD-CG1 3.88Å; L435-I467 HydrophobicContact CD1-CD1 4.31Å; F448-I467 HydrophobicContact CD2-CD1 4.14Å; F448-I467 HydrophobicContact CE2-CD1 4.19Å; D463-I467 VanDerWaalsContact O-CG1 3.29Å; D463-I467 WeakPolarHBondContact O-CG1 3.31Å; D463-I467 PolarHBondContact O-N 3.34Å; W464-I467 HydrophobicContact CE3-CB 4.21Å; W464-I467 HydrophobicContact CE3-CG2 4.14Å; W464-I467 HydrophobicContact CZ3-CB 4.43Å; W464-I467 HydrophobicContact CZ3-CG2 3.88Å; W464-I467 WeakPolarHBondContact O-CB 3.39Å; W464-I467 PolarHBondContact O-N 3.24Å; W464-I467 VanDerWaalsContact O-N 3.08Å; I467-T470 PolarHBondContact O-N 2.86Å; I467-A471 PolarHBondContact O-N 2.94Å |
| 468 | S | 98.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -48.5 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | D395 W464 T470 A471 D472 | D395-S468 PolarHBondContact OD2-OG 2.76Å; W464-S468 PolarHBondContact O-N 2.95Å; S468-T470 VanDerWaalsContact C-N 3.31Å; S468-T470 PolarHBondContact O-N 2.95Å; S468-A471 WeakPolarHBondContact O-CB 3.31Å; S468-A471 PolarHBondContact O-N 3.14Å; S468-A471 VanDerWaalsContact O-N 3.1Å; S468-D472 PolarHBondContact O-N 3.37Å |
| 469 | K | 98.3 | Very high | 95.2 | Very high | 148 Ų | 148 | 54 Ų | 54 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.2 | -39.8 | 176.2 | -177.1 | 178.3 | 179.3 | 179.5 | 0 | 113.2 | A465 A471 T473 | A465-K469 VanDerWaalsContact O-CB 3.23Å; A465-K469 WeakPolarHBondContact O-CB 3.48Å; A465-K469 PolarHBondContact O-N 3.31Å; K469-A471 VanDerWaalsContact C-N 3.34Å; K469-T473 PolarHBondContact O-N 2.8Å; K469-T473 VanDerWaalsContact O-N 3.1Å; K469-T473 PolarHBondContact O-OG1 2.66Å |
| 470 | T | 98.2 | Very high | 93.3 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 178.4 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | L423 R426 L427 F466 I467 S468 L474 | L423-T470 HydrophobicContact CD1-CG2 3.69Å; R426-T470 HydrophobicContact CB-CG2 3.77Å; L427-T470 HydrophobicContact CD2-CG2 4.19Å; F466-T470 VanDerWaalsContact O-CB 3.31Å; F466-T470 WeakPolarHBondContact O-CB 3.42Å; F466-T470 PolarHBondContact O-N 3.46Å; F466-T470 PolarHBondContact O-OG1 3.41Å; I467-T470 PolarHBondContact O-N 2.86Å; S468-T470 VanDerWaalsContact C-N 3.31Å; S468-T470 PolarHBondContact O-N 2.95Å; T470-L474 WeakPolarHBondContact O-CB 3.42Å; T470-L474 PolarHBondContact O-N 3.22Å; T470-L474 VanDerWaalsContact O-N 3.08Å |
| 471 | A | 98.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F398 L413 L423 I467 S468 K469 T473 L474 L475 | F398-A471 HydrophobicContact CE1-CB 4.43Å; F398-A471 HydrophobicContact CE2-CB 3.98Å; F398-A471 HydrophobicContact CZ-CB 3.49Å; F398-A471 VanDerWaalsContact CZ-CB 3.49Å; L413-A471 HydrophobicContact CD2-CB 3.99Å; L423-A471 HydrophobicContact CD1-CB 4.15Å; L423-A471 HydrophobicContact CD2-CB 4.2Å; I467-A471 PolarHBondContact O-N 2.94Å; S468-A471 WeakPolarHBondContact O-CB 3.31Å; S468-A471 PolarHBondContact O-N 3.14Å; S468-A471 VanDerWaalsContact O-N 3.1Å; K469-A471 VanDerWaalsContact C-N 3.34Å; A471-T473 VanDerWaalsContact C-N 3.3Å; A471-T473 PolarHBondContact O-N 3.03Å; A471-L474 WeakPolarHBondContact O-CB 3.34Å; A471-L474 PolarHBondContact O-N 3.47Å; A471-L474 VanDerWaalsContact O-N 3.1Å; A471-L475 VanDerWaalsContact O-CG 3.29Å; A471-L475 WeakPolarHBondContact O-CG 3.2Å; A471-L475 PolarHBondContact O-N 3.16Å |
| 472 | D | 97.3 | Very high | 88.5 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 177.8 | -72.6 | -19.6 | 0 | 0 | 0 | 112 | N397 S468 L475 T476 | N397-D472 PolarHBondContact ND2-OD1 3.47Å; S468-D472 PolarHBondContact O-N 3.37Å; D472-L475 PolarHBondContact O-N 3.34Å; D472-T476 WeakPolarHBondContact O-CB 3.32Å; D472-T476 PolarHBondContact O-N 2.86Å; D472-T476 PolarHBondContact O-OG1 3.33Å |
| 473 | T | 96.8 | Very high | 88 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 175.7 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | K469 A471 L475 T476 E477 | K469-T473 PolarHBondContact O-N 2.8Å; K469-T473 VanDerWaalsContact O-N 3.1Å; K469-T473 PolarHBondContact O-OG1 2.66Å; A471-T473 VanDerWaalsContact C-N 3.3Å; A471-T473 PolarHBondContact O-N 3.03Å; T473-L475 PolarHBondContact O-N 2.81Å; T473-T476 PolarHBondContact O-N 2.8Å; T473-E477 WeakPolarHBondContact O-CG 3.47Å; T473-E477 PolarHBondContact O-N 2.86Å |
| 474 | L | 96.5 | Very high | 87.5 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.2 | -40.5 | -179.9 | 177.7 | 63.7 | 0 | 0 | 0 | 112.8 | L413 L419 E422 L423 T470 A471 K478 | L413-L474 HydrophobicContact CD1-CD2 4.34Å; L419-L474 HydrophobicContact CD2-CD1 4.21Å; L419-L474 HydrophobicContact CD2-CD2 3.94Å; L419-L474 HydrophobicContact CD2-CG 3.86Å; E422-L474 HydrophobicContact CB-CD1 4.43Å; E422-L474 HydrophobicContact CB-CD2 4.16Å; E422-L474 HydrophobicContact CG-CD1 3.57Å; E422-L474 HydrophobicContact CG-CD2 4.02Å; E422-L474 HydrophobicContact CG-CG 4.47Å; L423-L474 HydrophobicContact CB-CD2 4.05Å; T470-L474 WeakPolarHBondContact O-CB 3.42Å; T470-L474 PolarHBondContact O-N 3.22Å; T470-L474 VanDerWaalsContact O-N 3.08Å; A471-L474 WeakPolarHBondContact O-CB 3.34Å; A471-L474 PolarHBondContact O-N 3.47Å; A471-L474 VanDerWaalsContact O-N 3.1Å; L474-K478 PolarHBondContact O-N 3.05Å |
| 475 | L | 94.3 | Very high | 86.9 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 17% | 0.168 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 179.1 | -66.9 | 171.9 | 0 | 0 | 0 | 111.5 | N397 L419 A471 D472 T473 K478 L479 | N397-L475 HydrophobicContact CB-CD1 3.8Å; N397-L475 VanDerWaalsContact CG-CD1 3.46Å; L419-L475 HydrophobicContact CD1-CD2 3.85Å; A471-L475 VanDerWaalsContact O-CG 3.29Å; A471-L475 WeakPolarHBondContact O-CG 3.2Å; A471-L475 PolarHBondContact O-N 3.16Å; D472-L475 PolarHBondContact O-N 3.34Å; T473-L475 PolarHBondContact O-N 2.81Å; L475-K478 PolarHBondContact O-N 3.15Å; L475-L479 WeakPolarHBondContact O-CG 3.44Å; L475-L479 PolarHBondContact O-N 3.47Å |
| 476 | T | 92.4 | Very high | 86.2 | Confident | 96 Ų | 96 | 75.8 Ų | 75.8 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.4 | -43.4 | 176.3 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | D472 T473 K478 L479 G480 | D472-T476 WeakPolarHBondContact O-CB 3.32Å; D472-T476 PolarHBondContact O-N 2.86Å; D472-T476 PolarHBondContact O-OG1 3.33Å; T473-T476 PolarHBondContact O-N 2.8Å; T476-K478 VanDerWaalsContact C-N 3.28Å; T476-K478 PolarHBondContact O-N 3.31Å; T476-L479 PolarHBondContact O-N 2.95Å; T476-L479 VanDerWaalsContact O-N 3.16Å; T476-G480 PolarHBondContact O-N 3.36Å; T476-G480 VanDerWaalsContact O-N 3.09Å |
| 477 | E | 91.2 | Very high | 85.4 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.9 | -45.4 | 174.5 | -75.6 | 170.3 | -158.8 | 0 | 0 | 110.9 | R426 T473 L479 G480 F481 | R426-E477 IonicContact CZ-OE1 3.54Å; R426-E477 IonicContact CZ-OE2 3.91Å; R426-E477 VanDerWaalsContact NH1-CD 3.33Å; R426-E477 IonicContact NH1-OE1 3.93Å; R426-E477 PolarHBondContact NH1-OE1 3.3Å; R426-E477 IonicContact NH1-OE2 3.22Å; R426-E477 PolarHBondContact NH1-OE2 3.38Å; R426-E477 VanDerWaalsContact NH1-OE2 3.09Å; R426-E477 IonicContact NH2-OE1 2.79Å; R426-E477 IonicContact NH2-OE2 2.7Å; R426-E477 PolarHBondContact NH2-OE2 3.35Å; T473-E477 WeakPolarHBondContact O-CG 3.47Å; T473-E477 PolarHBondContact O-N 2.86Å; E477-L479 VanDerWaalsContact C-N 3.34Å; E477-L479 PolarHBondContact O-N 3.11Å; E477-G480 PolarHBondContact O-N 3.3Å; E477-F481 WeakPolarHBondContact O-CD2 3.3Å; E477-F481 PolarHBondContact O-N 3.46Å |
| 478 | K | 78.1 | Confident | 84.5 | Confident | 106 Ų | 106 | 81.3 Ų | 81.3 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65 | -35 | 179.4 | -168.2 | 177.4 | 179.5 | -176.3 | 0 | 113.3 | L419 L474 L475 T476 G480 | L419-K478 HydrophobicContact CD1-CD 3.92Å; L419-K478 HydrophobicContact CD2-CD 4.08Å; L419-K478 HydrophobicContact CG-CD 4.35Å; L474-K478 PolarHBondContact O-N 3.05Å; L475-K478 PolarHBondContact O-N 3.15Å; T476-K478 VanDerWaalsContact C-N 3.28Å; T476-K478 PolarHBondContact O-N 3.31Å; K478-G480 VanDerWaalsContact C-N 3.34Å |
| 479 | L | 71.1 | Confident | 83.5 | Confident | 132 Ų | 132 | 85.5 Ų | 85.5 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72 | -27.2 | 177.3 | -71.2 | 167.8 | 0 | 0 | 0 | 112.6 | L475 T476 E477 F481 | L475-L479 WeakPolarHBondContact O-CG 3.44Å; L475-L479 PolarHBondContact O-N 3.47Å; T476-L479 PolarHBondContact O-N 2.95Å; T476-L479 VanDerWaalsContact O-N 3.16Å; E477-L479 VanDerWaalsContact C-N 3.34Å; E477-L479 PolarHBondContact O-N 3.11Å; L479-F481 VanDerWaalsContact C-N 3.34Å |
| 480 | G | 59.3 | Low | 82.4 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T476 E477 K478 | T476-G480 PolarHBondContact O-N 3.36Å; T476-G480 VanDerWaalsContact O-N 3.09Å; E477-G480 PolarHBondContact O-N 3.3Å; K478-G480 VanDerWaalsContact C-N 3.34Å |
| 481 | F | 54.3 | Low | 81.1 | Confident | 179 Ų | 179 | 85.9 Ų | 85.9 | 79% | 0.785 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 5.9 | 176.8 | -73 | -68.1 | 0 | 0 | 0 | 113.8 | E477 L479 | E477-F481 WeakPolarHBondContact O-CD2 3.3Å; E477-F481 PolarHBondContact O-N 3.46Å; L479-F481 VanDerWaalsContact C-N 3.34Å |
| 482 | N | 43.4 | Very low | 79.5 | Confident | 196 Ų | 196 | 93.7 Ų | 93.7 | 100% | 1.048 | 51% | 0.512 | S | S | * | . | trans | -104.8 | 0 | 175.6 | -89.2 | -8.3 | 0 | 0 | 0 | 112.2 |
Retrieved 482 of 482 residues in 154.9 ms
(Link to these results)