| 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 | 39.6 | Very low | 73.9 | Confident | 253 Ų | 253 | 74.1 Ų | 74.1 | 100% | 1.246 | 41% | 0.409 | S | S | * | . | 0 | 73 | 0 | -79.1 | 169.2 | 170.8 | 0 | 0 | 107.4 | |||||
| 2 | G | 50.9 | Low | 75.1 | Confident | 31 Ų | 31 | 78 Ų | 78 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | trans | -113.5 | 49.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111 | T4 G99 | G2-T4 PolarHBondContact O-N 3.35Å; G2-G99 WeakPolarHBondContact O-CA 3.32Å | ||
| 3 | D | 64.1 | Low | 76 | Confident | 127 Ų | 127 | 73.2 Ų | 73.2 | 68% | 0.679 | 40% | 0.397 | S | S | * | . | trans | -57.1 | 131.1 | 168.7 | -178.7 | -5.9 | 0 | 0 | 0 | 108 | G5 | D3-G5 PolarHBondContact O-N 2.78Å; D3-G5 VanDerWaalsContact O-N 3.17Å; D3-G5 PolarHBondContact OD1-N 2.84Å | ||
| 4 | T | 64.9 | Low | 76.6 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 9% | 0.086 | 39% | 0.393 | C | S | . | . | trans | -62.3 | -21.6 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | G2 L6 L89 G99 E101 | G2-T4 PolarHBondContact O-N 3.35Å; T4-L6 VanDerWaalsContact C-N 3.27Å; T4-L6 PolarHBondContact O-N 3.32Å; T4-L6 PolarHBondContact OG1-N 2.86Å; T4-L89 HydrophobicContact CG2-CB 4.3Å; T4-G99 WeakPolarHBondContact CG2-O 3.47Å; T4-E101 WeakPolarHBondContact CB-OE1 3.29Å; T4-E101 HydrophobicContact CG2-CB 4.09Å; T4-E101 HydrophobicContact CG2-CG 3.9Å; T4-E101 WeakPolarHBondContact CG2-OE1 3.29Å; T4-E101 PolarHBondContact N-OE1 2.89Å; T4-E101 PolarHBondContact OG1-OE1 3.3Å; T4-E101 PolarHBondContact OG1-OE2 3.09Å; T4-E101 VanDerWaalsContact OG1-OE2 3.07Å | ||
| 5 | G | 78.2 | Confident | 76.8 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 18% | 0.175 | 37% | 0.371 | C | S | . | . | trans | 69.9 | 25.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D3 L7 F24 A25 | D3-G5 PolarHBondContact O-N 2.78Å; D3-G5 VanDerWaalsContact O-N 3.17Å; D3-G5 PolarHBondContact OD1-N 2.84Å; G5-L7 PolarHBondContact O-N 3.3Å; G5-F24 WeakPolarHBondContact O-CA 3.37Å; G5-A25 WeakPolarHBondContact O-CB 3.4Å; G5-A25 PolarHBondContact O-N 3.37Å | ||
| 6 | L | 82.5 | Confident | 77.2 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 117.3 | 173.7 | -173.8 | 69.6 | 0 | 0 | 0 | 109.5 | T4 R9 L22 F24 L89 | T4-L6 VanDerWaalsContact C-N 3.27Å; T4-L6 PolarHBondContact O-N 3.32Å; T4-L6 PolarHBondContact OG1-N 2.86Å; L6-R9 HydrophobicContact CD2-CB 4.48Å; L6-L22 HydrophobicContact CD1-CB 3.84Å; L6-L22 HydrophobicContact CD1-CD2 4.09Å; L6-L22 HydrophobicContact CD1-CG 4.45Å; L6-F24 HydrophobicContact CB-CD1 4.29Å; L6-F24 HydrophobicContact CB-CE1 4.29Å; L6-F24 HydrophobicContact CD1-CD1 3.97Å; L6-F24 HydrophobicContact CD1-CE1 3.65Å; L6-F24 HydrophobicContact CD1-CZ 3.98Å; L6-L89 HydrophobicContact CD2-CD2 4.12Å |
| 7 | L | 84.9 | Confident | 77.7 | Confident | 113 Ų | 113 | 71.2 Ų | 71.2 | 59% | 0.592 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -46 | 179.7 | -73.4 | 177.3 | 0 | 0 | 0 | 112.2 | G5 H23 A25 | G5-L7 PolarHBondContact O-N 3.3Å; L7-H23 PolarHBondContact N-O 3.42Å; L7-A25 VanDerWaalsContact CD1-CA 3.47Å; L7-A25 HydrophobicContact CD1-CB 3.85Å; L7-A25 HydrophobicContact CD2-CB 3.88Å; L7-A25 HydrophobicContact CG-CB 3.7Å |
| 8 | D | 86.1 | Confident | 78.3 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 153.5 | -172.1 | -169 | 23.1 | 0 | 0 | 0 | 110.6 | H23 | D8-H23 HydrophobicContact CB-CB 4.07Å; D8-H23 PolarHBondContact N-O 3.13Å; D8-H23 PolarHBondContact O-N 2.95Å |
| 9 | R | 85.7 | Confident | 79 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 21% | 0.211 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 123.1 | -175.7 | 55.6 | -170.8 | -170.1 | -165.7 | 0.1 | 109.8 | L6 D21 L22 A135 V138 | L6-R9 HydrophobicContact CD2-CB 4.48Å; R9-D21 WeakPolarHBondContact CA-O 3.43Å; R9-L22 HydrophobicContact CB-CD2 3.92Å; R9-A135 PolarHBondContact NH1-O 2.82Å; R9-A135 VanDerWaalsContact NH1-O 3.15Å; R9-A135 PolarHBondContact NH2-O 3.4Å; R9-V138 HydrophobicContact CB-CG2 4.46Å; R9-V138 VanDerWaalsContact CD-CG2 3.47Å; R9-V138 HydrophobicContact CG-CG2 3.67Å |
| 10 | S | 87.5 | Confident | 79.6 | Confident | 52 Ų | 52 | 61 Ų | 61 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.8 | 176 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | D21 | S10-D21 PolarHBondContact N-O 3.29Å; S10-D21 PolarHBondContact O-N 3.22Å |
| 11 | V | 88.8 | Confident | 80.2 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 13% | 0.127 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.1 | 179.3 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | I18 T19 V20 V105 V138 | V11-I18 HydrophobicContact CG1-CG2 3.91Å; V11-T19 WeakPolarHBondContact CA-O 3.34Å; V11-V20 HydrophobicContact CG2-CG1 4.33Å; V11-V20 HydrophobicContact CG2-CG2 4.4Å; V11-V105 HydrophobicContact CB-CG1 4.38Å; V11-V105 HydrophobicContact CG1-CG1 3.68Å; V11-V105 HydrophobicContact CG2-CG1 3.7Å; V11-V105 HydrophobicContact CG2-CG2 4.16Å; V11-V138 HydrophobicContact CB-CG1 4.06Å; V11-V138 HydrophobicContact CG2-CB 3.86Å; V11-V138 HydrophobicContact CG2-CG1 3.4Å |
| 12 | E | 87.8 | Confident | 82.6 | Confident | 121 Ų | 121 | 48.2 Ų | 48.2 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.4 | 171.5 | -65.3 | -176 | 176.2 | 0 | 0 | 108 | T19 | E12-T19 PolarHBondContact N-O 2.58Å; E12-T19 PolarHBondContact O-N 3.5Å |
| 13 | C | 87.1 | Confident | 84.6 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 10% | 0.101 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.9 | -177.5 | -54.4 | 0 | 0 | 0 | 0 | 108.6 | C107 G140 | C13-C107 HydrophobicContact CB-CB 3.66Å; C13-C107 WeakPolarHBondContact CB-SG 3.29Å; C13-C107 VanDerWaalsContact SG-CA 3.53Å; C13-C107 WeakPolarHBondContact SG-CB 3.38Å; C13-C107 CovalentContact SG-SG 2.02Å; C13-C107 PolarHBondContact SG-SG 3.48Å; C13-G140 VanDerWaalsContact SG-C 3.53Å; C13-G140 WeakPolarHBondContact SG-CA 3.35Å |
| 14 | N | 84.5 | Confident | 85.9 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | trans | -127.1 | 175 | 166.3 | 69.8 | 48.9 | 0 | 0 | 0 | 109.4 | E16 E17 L59 Y109 | N14-E16 VanDerWaalsContact C-N 3.27Å; N14-E16 PolarHBondContact O-N 3.32Å; N14-E16 WeakPolarHBondContact OD1-CA 3.36Å; N14-E16 PolarHBondContact OD1-N 2.93Å; N14-E17 PolarHBondContact N-O 3.42Å; N14-E17 PolarHBondContact OD1-N 3.27Å; N14-E17 PolarHBondContact OD1-O 3.44Å; N14-E17 VanDerWaalsContact OD1-O 3.08Å; N14-L59 WeakPolarHBondContact O-CD1 3.4Å; N14-Y109 PolarHBondContact O-OH 3.42Å | ||
| 15 | S | 79.4 | Confident | 87 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -67.3 | -24.8 | -176.1 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | D179 S181 I182 | S15-D179 WeakPolarHBondContact CB-OD2 3.08Å; S15-D179 PolarHBondContact OG-OD1 3.21Å; S15-D179 VanDerWaalsContact OG-OD1 3.12Å; S15-D179 PolarHBondContact OG-OD2 3.13Å; S15-S181 WeakPolarHBondContact CB-OG 3.25Å; S15-S181 WeakPolarHBondContact O-CB 3.35Å; S15-S181 PolarHBondContact O-OG 3.3Å; S15-S181 PolarHBondContact OG-OG 2.94Å; S15-S181 VanDerWaalsContact OG-OG 3.13Å; S15-I182 VanDerWaalsContact O-CG2 3.27Å; S15-I182 WeakPolarHBondContact O-CG2 3.34Å |
| 16 | E | 82.8 | Confident | 87.6 | Confident | 134 Ų | 134 | 52.1 Ų | 52.1 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -90.9 | -42.1 | -178.9 | -61.4 | -174.4 | 169.8 | 0 | 0 | 112.6 | N14 L59 | N14-E16 VanDerWaalsContact C-N 3.27Å; N14-E16 PolarHBondContact O-N 3.32Å; N14-E16 WeakPolarHBondContact OD1-CA 3.36Å; N14-E16 PolarHBondContact OD1-N 2.93Å; E16-L59 PolarHBondContact O-N 3.07Å |
| 17 | E | 87 | Confident | 88 | Confident | 52 Ų | 52 | 54 Ų | 54 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 154.6 | -173.8 | 66 | 179.4 | -168 | 0 | 0 | 114.2 | N14 L57 | N14-E17 PolarHBondContact N-O 3.42Å; N14-E17 PolarHBondContact OD1-N 3.27Å; N14-E17 PolarHBondContact OD1-O 3.44Å; N14-E17 VanDerWaalsContact OD1-O 3.08Å; E17-L57 CarbonylContact C-O 3.59Å; E17-L57 WeakPolarHBondContact CA-O 3.42Å |
| 18 | I | 88.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123 | 167.6 | -55.9 | 176.4 | 0 | 0 | 0 | 108.1 | V11 V20 L57 L59 L71 V105 C107 | V11-I18 HydrophobicContact CG1-CG2 3.91Å; I18-V20 HydrophobicContact CG2-CG2 4.17Å; I18-L57 HydrophobicContact CB-CB 4.19Å; I18-L57 PolarHBondContact N-O 3.09Å; I18-L57 PolarHBondContact O-N 3.21Å; I18-L59 HydrophobicContact CD1-CD2 3.74Å; I18-L59 HydrophobicContact CG1-CD2 3.75Å; I18-L59 HydrophobicContact CG1-CG 4.3Å; I18-L71 HydrophobicContact CD1-CD2 3.99Å; I18-V105 HydrophobicContact CG2-CG1 3.97Å; I18-C107 HydrophobicContact CD1-CB 4.07Å; I18-C107 VanDerWaalsContact CD1-SG 3.56Å; I18-C107 HydrophobicContact CG1-CB 4.39Å; I18-C107 VanDerWaalsContact CG1-SG 3.52Å; I18-C107 VanDerWaalsContact CG2-SG 3.58Å |
| 19 | T | 90.9 | Very high | 88.4 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.1 | 174.3 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | V11 E12 Q54 L55 | V11-T19 WeakPolarHBondContact CA-O 3.34Å; E12-T19 PolarHBondContact N-O 2.58Å; E12-T19 PolarHBondContact O-N 3.5Å; T19-Q54 HydrophobicContact CG2-CG 3.68Å; T19-L55 CarbonylContact C-O 3.59Å; T19-L55 WeakPolarHBondContact CA-O 3.36Å |
| 20 | V | 91.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.6 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | V11 I18 L22 Q54 L55 L57 L87 V105 | V11-V20 HydrophobicContact CG2-CG1 4.33Å; V11-V20 HydrophobicContact CG2-CG2 4.4Å; I18-V20 HydrophobicContact CG2-CG2 4.17Å; V20-L22 HydrophobicContact CG1-CD2 3.87Å; V20-L22 HydrophobicContact CG1-CG 4.24Å; V20-Q54 WeakPolarHBondContact O-CA 3.34Å; V20-L55 HydrophobicContact CB-CB 4.23Å; V20-L55 HydrophobicContact CB-CD1 4.13Å; V20-L55 HydrophobicContact CG1-CD1 4.33Å; V20-L55 PolarHBondContact N-O 2.94Å; V20-L55 WeakPolarHBondContact O-CD1 3.31Å; V20-L55 PolarHBondContact O-N 3.23Å; V20-L57 HydrophobicContact CG2-CD1 4.31Å; V20-L87 HydrophobicContact CG1-CD1 4.41Å; V20-L87 HydrophobicContact CG2-CD1 4.4Å; V20-V105 HydrophobicContact CG1-CG2 4.18Å; V20-V105 HydrophobicContact CG2-CB 4.46Å; V20-V105 HydrophobicContact CG2-CG1 3.99Å; V20-V105 HydrophobicContact CG2-CG2 3.91Å |
| 21 | D | 91.9 | Very high | 88.8 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.2 | 176.1 | -70.9 | -61.5 | 0 | 0 | 0 | 109.3 | R9 S10 Q54 | R9-D21 WeakPolarHBondContact CA-O 3.43Å; S10-D21 PolarHBondContact N-O 3.29Å; S10-D21 PolarHBondContact O-N 3.22Å; D21-Q54 VanDerWaalsContact OD1-CB 3.3Å; D21-Q54 WeakPolarHBondContact OD1-CB 3.33Å; D21-Q54 WeakPolarHBondContact OD1-CG 3.46Å; D21-Q54 PolarHBondContact OD1-NE2 3.36Å |
| 22 | L | 90.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.4 | -179.8 | -58.3 | 179.9 | 0 | 0 | 0 | 109.8 | L6 R9 V20 F24 V32 R52 L53 L55 L89 L103 | L6-L22 HydrophobicContact CD1-CB 3.84Å; L6-L22 HydrophobicContact CD1-CD2 4.09Å; L6-L22 HydrophobicContact CD1-CG 4.45Å; R9-L22 HydrophobicContact CB-CD2 3.92Å; V20-L22 HydrophobicContact CG1-CD2 3.87Å; V20-L22 HydrophobicContact CG1-CG 4.24Å; L22-F24 HydrophobicContact CB-CE2 3.72Å; L22-F24 HydrophobicContact CB-CZ 3.81Å; L22-F24 HydrophobicContact CD1-CZ 4.11Å; L22-V32 HydrophobicContact CD1-CG2 4.2Å; L22-R52 VanDerWaalsContact O-CA 3.29Å; L22-R52 WeakPolarHBondContact O-CA 3.28Å; L22-L53 PolarHBondContact N-O 2.92Å; L22-L53 PolarHBondContact O-N 2.88Å; L22-L55 HydrophobicContact CD1-CD1 3.6Å; L22-L55 HydrophobicContact CG-CD1 3.77Å; L22-L89 HydrophobicContact CD1-CD2 4.01Å; L22-L89 HydrophobicContact CD1-CG 4.45Å; L22-L103 HydrophobicContact CD2-CD2 3.69Å |
| 23 | H | 91.9 | Very high | 88.9 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 27% | 0.269 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.7 | 178 | -173.2 | 45.9 | 0 | 0 | 0 | 111.4 | L7 D8 H51 | L7-H23 PolarHBondContact N-O 3.42Å; D8-H23 HydrophobicContact CB-CB 4.07Å; D8-H23 PolarHBondContact N-O 3.13Å; D8-H23 PolarHBondContact O-N 2.95Å; H23-H51 CarbonylContact C-O 3.2Å; H23-H51 WeakPolarHBondContact CA-O 3.28Å; H23-H51 PolarHBondContact ND1-O 3.49Å |
| 24 | F | 91.1 | Very high | 89 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.9 | -173.9 | -57.1 | -87.5 | 0 | 0 | 0 | 112.3 | G5 L6 L22 K26 F28 H51 L53 L89 | G5-F24 WeakPolarHBondContact O-CA 3.37Å; L6-F24 HydrophobicContact CB-CD1 4.29Å; L6-F24 HydrophobicContact CB-CE1 4.29Å; L6-F24 HydrophobicContact CD1-CD1 3.97Å; L6-F24 HydrophobicContact CD1-CE1 3.65Å; L6-F24 HydrophobicContact CD1-CZ 3.98Å; L22-F24 HydrophobicContact CB-CE2 3.72Å; L22-F24 HydrophobicContact CB-CZ 3.81Å; L22-F24 HydrophobicContact CD1-CZ 4.11Å; F24-K26 VanDerWaalsContact CB-O 3.31Å; F24-K26 WeakPolarHBondContact CB-O 3.49Å; F24-K26 PolarHBondContact O-N 2.95Å; F24-F28 HydrophobicContact CB-CB 4.26Å; F24-F28 HydrophobicContact CD1-CB 4.31Å; F24-F28 AromaticContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CG 4.26Å; F24-F28 HydrophobicContact CD2-CB 3.62Å; F24-F28 HydrophobicContact CD2-CD2 4.49Å; F24-F28 AromaticContact CD2-CG 3.99Å; F24-F28 HydrophobicContact CD2-CG 3.99Å; F24-F28 AromaticContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CE2 4.05Å; F24-F28 HydrophobicContact CE1-CG 4.12Å; F24-F28 HydrophobicContact CE2-CB 3.97Å; F24-F28 HydrophobicContact CE2-CD1 4.01Å; F24-F28 HydrophobicContact CE2-CD2 4.33Å; F24-F28 AromaticContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CG-CB 3.81Å; F24-F28 HydrophobicContact CG-CD2 4.31Å; F24-F28 HydrophobicContact CG-CG 4.19Å; F24-F28 HydrophobicContact CZ-CB 4.46Å; F24-F28 HydrophobicContact CZ-CD1 4.11Å; F24-F28 AromaticContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CE1 4.36Å; F24-F28 HydrophobicContact CZ-CE2 4.21Å; F24-F28 AromaticContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CZ 4.39Å; F24-H51 PolarHBondContact N-O 2.92Å; F24-H51 PolarHBondContact O-ND1 3.49Å; F24-L53 HydrophobicContact CE2-CB 3.96Å; F24-L89 HydrophobicContact CE1-CD2 4.21Å; F24-L89 HydrophobicContact CZ-CD2 4.37Å |
| 25 | A | 89.9 | Confident | 89 | Confident | 51 Ų | 51 | 37 Ų | 37 | 42% | 0.421 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -64.1 | -31.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G5 L7 H51 | G5-A25 WeakPolarHBondContact O-CB 3.4Å; G5-A25 PolarHBondContact O-N 3.37Å; L7-A25 VanDerWaalsContact CD1-CA 3.47Å; L7-A25 HydrophobicContact CD1-CB 3.85Å; L7-A25 HydrophobicContact CD2-CB 3.88Å; L7-A25 HydrophobicContact CG-CB 3.7Å; A25-H51 PolarHBondContact O-CE1 3.24Å |
| 26 | K | 89.4 | Confident | 89 | Confident | 161 Ų | 161 | 45.3 Ų | 45.3 | 70% | 0.7 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -121 | 155 | -179.9 | -65.1 | 178.3 | -175.8 | 171.1 | 0 | 109.7 | F24 F28 | F24-K26 VanDerWaalsContact CB-O 3.31Å; F24-K26 WeakPolarHBondContact CB-O 3.49Å; F24-K26 PolarHBondContact O-N 2.95Å; K26-F28 PolarHBondContact O-N 3.5Å; K26-F28 VanDerWaalsContact O-N 3.1Å |
| 27 | P | 90.9 | Very high | 89 | Confident | 72 Ų | 72 | 41.2 Ų | 41.2 | 47% | 0.468 | 21% | 0.208 | S | C | . | . | trans | -47 | 116.7 | 168.9 | -32.7 | 40.5 | 0 | 0 | 0 | 111.4 | G49 H51 | P27-G49 VanDerWaalsContact CB-O 3.29Å; P27-G49 WeakPolarHBondContact CB-O 3.29Å; P27-H51 VanDerWaalsContact CD-CE1 3.5Å; P27-H51 WeakPolarHBondContact CD-CE1 3.37Å | ||
| 28 | F | 90.6 | Very high | 88.6 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | trans | -89.9 | 114.6 | -176.1 | -178.9 | -104 | 0 | 0 | 0 | 110.1 | F24 K26 G30 V32 G47 G49 S50 L53 | F24-F28 HydrophobicContact CB-CB 4.26Å; F24-F28 HydrophobicContact CD1-CB 4.31Å; F24-F28 AromaticContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CD2 3.95Å; F24-F28 HydrophobicContact CD1-CG 4.26Å; F24-F28 HydrophobicContact CD2-CB 3.62Å; F24-F28 HydrophobicContact CD2-CD2 4.49Å; F24-F28 AromaticContact CD2-CG 3.99Å; F24-F28 HydrophobicContact CD2-CG 3.99Å; F24-F28 AromaticContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CD2 3.76Å; F24-F28 HydrophobicContact CE1-CE2 4.05Å; F24-F28 HydrophobicContact CE1-CG 4.12Å; F24-F28 HydrophobicContact CE2-CB 3.97Å; F24-F28 HydrophobicContact CE2-CD1 4.01Å; F24-F28 HydrophobicContact CE2-CD2 4.33Å; F24-F28 AromaticContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CE2-CG 3.85Å; F24-F28 HydrophobicContact CG-CB 3.81Å; F24-F28 HydrophobicContact CG-CD2 4.31Å; F24-F28 HydrophobicContact CG-CG 4.19Å; F24-F28 HydrophobicContact CZ-CB 4.46Å; F24-F28 HydrophobicContact CZ-CD1 4.11Å; F24-F28 AromaticContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CD2 3.97Å; F24-F28 HydrophobicContact CZ-CE1 4.36Å; F24-F28 HydrophobicContact CZ-CE2 4.21Å; F24-F28 AromaticContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CG 3.91Å; F24-F28 HydrophobicContact CZ-CZ 4.39Å; K26-F28 PolarHBondContact O-N 3.5Å; K26-F28 VanDerWaalsContact O-N 3.1Å; F28-G30 VanDerWaalsContact CE1-C 3.5Å; F28-G30 VanDerWaalsContact CZ-C 3.42Å; F28-G30 VanDerWaalsContact CZ-CA 3.45Å; F28-V32 HydrophobicContact CE1-CG2 4.04Å; F28-V32 HydrophobicContact CZ-CG2 4.02Å; F28-G47 CarbonylContact O-C 3.53Å; F28-G47 WeakPolarHBondContact O-CA 3.32Å; F28-G49 WeakPolarHBondContact O-CA 3.44Å; F28-G49 PolarHBondContact O-N 2.79Å; F28-S50 PolarHBondContact N-O 3.26Å; F28-L53 HydrophobicContact CD1-CD2 4.19Å; F28-L53 HydrophobicContact CE1-CD2 3.91Å | ||
| 29 | N | 89.8 | Confident | 88.3 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | trans | -112.4 | 10 | 175.5 | -70.8 | -62.4 | 0 | 0 | 0 | 112.5 | G49 R93 | N29-G49 VanDerWaalsContact OD1-CA 3.26Å; N29-G49 WeakPolarHBondContact OD1-CA 3.42Å; N29-G49 PolarHBondContact OD1-N 2.85Å; N29-R93 WeakPolarHBondContact O-CG 3.44Å; N29-R93 PolarHBondContact O-NE 3.4Å | ||
| 30 | G | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -79.4 | -158.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F28 G47 S90 P91 | F28-G30 VanDerWaalsContact CE1-C 3.5Å; F28-G30 VanDerWaalsContact CZ-C 3.42Å; F28-G30 VanDerWaalsContact CZ-CA 3.45Å; G30-G47 PolarHBondContact O-N 3.27Å; G30-S90 CarbonylContact C-O 3.5Å; G30-S90 VanDerWaalsContact CA-O 3.26Å; G30-S90 WeakPolarHBondContact CA-O 3.28Å; G30-P91 WeakPolarHBondContact CA-O 3.47Å |
| 31 | I | 90.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.4 | 176.4 | -168.1 | 168.6 | 0 | 0 | 0 | 110.3 | F33 R44 E46 S90 M92 | I31-F33 HydrophobicContact CG2-CD1 4.25Å; I31-R44 HydrophobicContact CD1-CB 4.32Å; I31-R44 VanDerWaalsContact CD1-NH2 3.25Å; I31-E46 HydrophobicContact CD1-CG 4.07Å; I31-E46 HydrophobicContact CG1-CG 4.21Å; I31-S90 PolarHBondContact N-O 3.37Å; I31-S90 PolarHBondContact O-N 3Å; I31-M92 WeakPolarHBondContact CG2-O 3.31Å |
| 32 | V | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.7 | 168.7 | -171 | 0 | 0 | 0 | 0 | 108 | L22 F28 R44 W45 L53 L55 L87 V88 L89 | L22-V32 HydrophobicContact CD1-CG2 4.2Å; F28-V32 HydrophobicContact CE1-CG2 4.04Å; F28-V32 HydrophobicContact CZ-CG2 4.02Å; V32-R44 WeakPolarHBondContact O-CA 3.39Å; V32-W45 PolarHBondContact N-O 3.26Å; V32-W45 PolarHBondContact O-N 3.44Å; V32-L53 HydrophobicContact CB-CD2 4.27Å; V32-L53 HydrophobicContact CG2-CD2 3.59Å; V32-L55 HydrophobicContact CB-CD2 3.96Å; V32-L55 HydrophobicContact CG1-CD2 3.58Å; V32-L87 HydrophobicContact CG1-CB 4.14Å; V32-V88 WeakPolarHBondContact CA-O 3.36Å; V32-L89 HydrophobicContact CG1-CD1 4.15Å; V32-L89 HydrophobicContact CG1-CG 4.09Å; V32-L89 HydrophobicContact CG2-CG 3.95Å |
| 33 | F | 89.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 153.7 | 177.9 | 60.2 | -88 | 0 | 0 | 0 | 111.2 | I31 Y38 C43 R44 V88 L96 | I31-F33 HydrophobicContact CG2-CD1 4.25Å; F33-Y38 HydrophobicContact CD1-CD2 4.01Å; F33-Y38 HydrophobicContact CD2-CD2 4.13Å; F33-Y38 HydrophobicContact CE1-CD2 4.07Å; F33-Y38 HydrophobicContact CE2-CD2 4.2Å; F33-Y38 HydrophobicContact CG-CD2 4.04Å; F33-Y38 HydrophobicContact CZ-CD2 4.17Å; F33-C43 VanDerWaalsContact CA-O 3.27Å; F33-C43 WeakPolarHBondContact CA-O 3.5Å; F33-R44 HydrophobicContact CB-CG 3.99Å; F33-V88 HydrophobicContact CD2-CB 4.31Å; F33-V88 HydrophobicContact CE1-CB 4.14Å; F33-V88 HydrophobicContact CE1-CG1 4.07Å; F33-V88 HydrophobicContact CE2-CB 3.8Å; F33-V88 HydrophobicContact CE2-CG1 4.2Å; F33-V88 HydrophobicContact CE2-CG2 4.19Å; F33-V88 HydrophobicContact CZ-CB 3.71Å; F33-V88 HydrophobicContact CZ-CG1 3.64Å; F33-V88 HydrophobicContact CZ-CG2 4.46Å; F33-V88 PolarHBondContact N-O 3.42Å; F33-V88 PolarHBondContact O-N 3.28Å; F33-L96 HydrophobicContact CE1-CD2 3.85Å; F33-L96 HydrophobicContact CZ-CD2 3.69Å |
| 34 | A | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 137.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K36 F37 C43 C69 V85 L87 | A34-K36 PolarHBondContact O-N 2.99Å; A34-F37 HydrophobicContact CB-CB 4.18Å; A34-F37 WeakPolarHBondContact O-CA 3.29Å; A34-F37 PolarHBondContact O-N 3.26Å; A34-C43 HydrophobicContact CB-CB 4.18Å; A34-C43 PolarHBondContact N-O 2.57Å; A34-C69 HydrophobicContact CB-CB 3.98Å; A34-C69 WeakPolarHBondContact CB-O 3.48Å; A34-V85 HydrophobicContact CB-CG2 4.25Å; A34-L87 HydrophobicContact CB-CD2 4.34Å |
| 35 | N | 82.9 | Confident | 87.6 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128 | -175.6 | -174.9 | 16.8 | 0 | 0 | 0 | 111.1 | F37 T86 V88 | N35-F37 VanDerWaalsContact O-CD2 3.23Å; N35-F37 WeakPolarHBondContact O-CD2 3.5Å; N35-F37 PolarHBondContact O-N 3.04Å; N35-T86 HydrophobicContact CB-CG2 4.16Å; N35-T86 VanDerWaalsContact CB-O 3.24Å; N35-T86 WeakPolarHBondContact CB-O 3.45Å; N35-T86 PolarHBondContact N-O 3.43Å; N35-V88 HydrophobicContact CB-CG2 4.16Å |
| 36 | K | 79.7 | Confident | 87.7 | Confident | 182 Ų | 182 | 63.9 Ų | 63.9 | 79% | 0.791 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | -2.8 | -173.3 | -48.9 | 172.8 | -175.9 | 167.5 | 0 | 116.2 | A34 | A34-K36 PolarHBondContact O-N 2.99Š|
| 37 | F | 83.7 | Confident | 87.7 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 21% | 0.211 | 28% | 0.275 | C | S | . | . | trans | -107.8 | 26.3 | 179.3 | -68.8 | -92.9 | 0 | 0 | 0 | 113.2 | A34 N35 Q39 T40 C43 P67 G70 | A34-F37 HydrophobicContact CB-CB 4.18Å; A34-F37 WeakPolarHBondContact O-CA 3.29Å; A34-F37 PolarHBondContact O-N 3.26Å; N35-F37 VanDerWaalsContact O-CD2 3.23Å; N35-F37 WeakPolarHBondContact O-CD2 3.5Å; N35-F37 PolarHBondContact O-N 3.04Å; F37-Q39 PolarHBondContact O-N 3.21Å; F37-Q39 VanDerWaalsContact O-N 3.12Å; F37-T40 WeakPolarHBondContact O-CB 3.39Å; F37-T40 PolarHBondContact O-N 2.8Å; F37-C43 HydrophobicContact CB-CB 3.94Å; F37-P67 WeakPolarHBondContact CE1-O 3.47Å; F37-P67 HydrophobicContact CZ-CG 4.23Å; F37-P67 WeakPolarHBondContact CZ-O 3.34Å; F37-G70 VanDerWaalsContact CZ-N 3.34Å | ||
| 38 | Y | 78.5 | Confident | 87.7 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.5 | 179.2 | 177.5 | -97.7 | 0 | 0 | 0 | 114 | F33 T40 R44 | F33-Y38 HydrophobicContact CD1-CD2 4.01Å; F33-Y38 HydrophobicContact CD2-CD2 4.13Å; F33-Y38 HydrophobicContact CE1-CD2 4.07Å; F33-Y38 HydrophobicContact CE2-CD2 4.2Å; F33-Y38 HydrophobicContact CG-CD2 4.04Å; F33-Y38 HydrophobicContact CZ-CD2 4.17Å; Y38-T40 VanDerWaalsContact C-N 3.25Å; Y38-T40 PolarHBondContact O-N 2.91Å; Y38-R44 VanDerWaalsContact O-CD 3.23Å; Y38-R44 WeakPolarHBondContact O-CD 3.46Å |
| 39 | Q | 81.9 | Confident | 87.7 | Confident | 181 Ų | 181 | 59.4 Ų | 59.4 | 85% | 0.846 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2 | -179.7 | -64.2 | -178.4 | -1.4 | 0 | 0 | 113.2 | F37 P41 | F37-Q39 PolarHBondContact O-N 3.21Å; F37-Q39 VanDerWaalsContact O-N 3.12Å; Q39-P41 WeakPolarHBondContact O-CD 3.22Å |
| 40 | T | 85.2 | Confident | 87.8 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | trans | -104.3 | 105.2 | -172.2 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | F37 Y38 Q42 C43 R44 | F37-T40 WeakPolarHBondContact O-CB 3.39Å; F37-T40 PolarHBondContact O-N 2.8Å; Y38-T40 VanDerWaalsContact C-N 3.25Å; Y38-T40 PolarHBondContact O-N 2.91Å; T40-Q42 VanDerWaalsContact C-N 3.28Å; T40-Q42 HydrophobicContact CG2-CG 3.83Å; T40-Q42 PolarHBondContact O-N 3.41Å; T40-C43 HydrophobicContact CG2-CB 4.21Å; T40-C43 WeakPolarHBondContact CG2-SG 3.31Å; T40-C43 PolarHBondContact O-N 3.09Å; T40-R44 WeakPolarHBondContact O-CG 3.33Å | ||
| 41 | P | 86.1 | Confident | 87.9 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 60% | 0.597 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -57.6 | -36.8 | -172.2 | -26.5 | 35.7 | 0 | 0 | 0 | 114.2 | Q39 C43 R44 | Q39-P41 WeakPolarHBondContact O-CD 3.22Å; P41-C43 PolarHBondContact O-N 3.33Å; P41-R44 PolarHBondContact O-N 3.41Å |
| 42 | Q | 87.5 | Confident | 88 | Confident | 101 Ų | 101 | 69.8 Ų | 69.8 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -70.2 | -10.5 | 177.9 | 66.3 | -87.8 | 16.7 | 0 | 0 | 114.5 | T40 Y68 | T40-Q42 VanDerWaalsContact C-N 3.28Å; T40-Q42 HydrophobicContact CG2-CG 3.83Å; T40-Q42 PolarHBondContact O-N 3.41Å; Q42-Y68 HydrophobicContact CG-CE2 3.78Å |
| 43 | C | 90.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -108 | 22.6 | 177.3 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | F33 A34 F37 T40 P41 W45 C69 | F33-C43 VanDerWaalsContact CA-O 3.27Å; F33-C43 WeakPolarHBondContact CA-O 3.5Å; A34-C43 HydrophobicContact CB-CB 4.18Å; A34-C43 PolarHBondContact N-O 2.57Å; F37-C43 HydrophobicContact CB-CB 3.94Å; T40-C43 HydrophobicContact CG2-CB 4.21Å; T40-C43 WeakPolarHBondContact CG2-SG 3.31Å; T40-C43 PolarHBondContact O-N 3.09Å; P41-C43 PolarHBondContact O-N 3.33Å; C43-W45 WeakPolarHBondContact O-CZ3 3.29Å; C43-C69 WeakPolarHBondContact CA-SG 3.29Å; C43-C69 HydrophobicContact CB-CB 3.7Å; C43-C69 WeakPolarHBondContact CB-SG 3.3Å; C43-C69 WeakPolarHBondContact SG-CA 3.25Å; C43-C69 WeakPolarHBondContact SG-CB 3.39Å; C43-C69 CovalentContact SG-SG 2.02Å; C43-C69 PolarHBondContact SG-SG 2.96Å |
| 44 | R | 91 | Very high | 88.3 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.3 | -179.2 | -63.7 | 172.6 | 75.9 | -171.2 | -9.4 | 109.2 | I31 V32 F33 Y38 T40 P41 | I31-R44 HydrophobicContact CD1-CB 4.32Å; I31-R44 VanDerWaalsContact CD1-NH2 3.25Å; V32-R44 WeakPolarHBondContact O-CA 3.39Å; F33-R44 HydrophobicContact CB-CG 3.99Å; Y38-R44 VanDerWaalsContact O-CD 3.23Å; Y38-R44 WeakPolarHBondContact O-CD 3.46Å; T40-R44 WeakPolarHBondContact O-CG 3.33Å; P41-R44 PolarHBondContact O-N 3.41Å |
| 45 | W | 92.9 | Very high | 88.5 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 113.8 | 178.9 | -59.2 | -93.2 | 0 | 0 | 0 | 108.2 | V32 C43 L53 L55 L57 L87 | V32-W45 PolarHBondContact N-O 3.26Å; V32-W45 PolarHBondContact O-N 3.44Å; C43-W45 WeakPolarHBondContact O-CZ3 3.29Å; W45-L53 HydrophobicContact CB-CD1 4.47Å; W45-L53 HydrophobicContact CB-CD2 4.32Å; W45-L55 HydrophobicContact CB-CD2 4.15Å; W45-L55 HydrophobicContact CB-CG 4.22Å; W45-L55 HydrophobicContact CD2-CB 4.1Å; W45-L55 HydrophobicContact CD2-CD2 3.6Å; W45-L55 HydrophobicContact CD2-CG 3.99Å; W45-L55 HydrophobicContact CE3-CD2 3.49Å; W45-L55 VanDerWaalsContact CE3-CD2 3.49Å; W45-L55 HydrophobicContact CE3-CG 4.38Å; W45-L55 HydrophobicContact CG-CB 4.25Å; W45-L55 HydrophobicContact CG-CD2 3.9Å; W45-L55 HydrophobicContact CG-CG 3.9Å; W45-L55 HydrophobicContact CZ2-CB 4.48Å; W45-L55 HydrophobicContact CZ3-CD2 4.09Å; W45-L57 HydrophobicContact CH2-CD2 3.61Å; W45-L57 HydrophobicContact CH2-CG 4.09Å; W45-L57 HydrophobicContact CZ2-CD2 4.07Å; W45-L57 HydrophobicContact CZ2-CG 4.18Å; W45-L87 HydrophobicContact CZ3-CD2 4.17Å |
| 46 | E | 91.8 | Very high | 88.9 | Confident | 104 Ų | 104 | 77.1 Ų | 77.1 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 137.3 | 179.6 | -65.6 | -175.2 | -170.4 | 0 | 0 | 110.3 | I31 R93 | I31-E46 HydrophobicContact CD1-CG 4.07Å; I31-E46 HydrophobicContact CG1-CG 4.21Å; E46-R93 IonicContact OE2-NH1 3.75Å |
| 47 | G | 90.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | trans | -70.8 | 128.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | F28 G30 G49 R93 | F28-G47 CarbonylContact O-C 3.53Å; F28-G47 WeakPolarHBondContact O-CA 3.32Å; G30-G47 PolarHBondContact O-N 3.27Å; G47-G49 VanDerWaalsContact C-N 3.31Å; G47-R93 PolarHBondContact O-NH2 3.44Å | ||
| 48 | D | 90.9 | Very high | 89.5 | Confident | 123 Ų | 123 | 67.9 Ų | 67.9 | 66% | 0.658 | 33% | 0.327 | S | S | * | . | trans | -89.3 | 8 | 179.1 | 65.8 | -13.1 | 0 | 0 | 0 | 113.4 | S50 | D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 WeakPolarHBondContact OD1-CB 3.46Å; D48-S50 PolarHBondContact OD1-N 2.92Å | ||
| 49 | G | 88.8 | Confident | 89.6 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 85.3 | 3.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P27 F28 N29 G47 | P27-G49 VanDerWaalsContact CB-O 3.29Å; P27-G49 WeakPolarHBondContact CB-O 3.29Å; F28-G49 WeakPolarHBondContact O-CA 3.44Å; F28-G49 PolarHBondContact O-N 2.79Å; N29-G49 VanDerWaalsContact OD1-CA 3.26Å; N29-G49 WeakPolarHBondContact OD1-CA 3.42Å; N29-G49 PolarHBondContact OD1-N 2.85Å; G47-G49 VanDerWaalsContact C-N 3.31Å |
| 50 | S | 92.5 | Very high | 89.1 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | trans | -70 | 162.4 | 168.8 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | F28 D48 R52 | F28-S50 PolarHBondContact N-O 3.26Å; D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 WeakPolarHBondContact OD1-CB 3.46Å; D48-S50 PolarHBondContact OD1-N 2.92Å; S50-R52 WeakPolarHBondContact CB-O 3.26Å; S50-R52 PolarHBondContact OG-N 3.45Å; S50-R52 VanDerWaalsContact OG-N 3.07Å; S50-R52 PolarHBondContact OG-O 3.35Å | ||
| 51 | H | 92.8 | Very high | 88.2 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -81.9 | -2.3 | 166.6 | -73.2 | -91.9 | 0 | 0 | 0 | 112.6 | H23 F24 A25 P27 | H23-H51 CarbonylContact C-O 3.2Å; H23-H51 WeakPolarHBondContact CA-O 3.28Å; H23-H51 PolarHBondContact ND1-O 3.49Å; F24-H51 PolarHBondContact N-O 2.92Å; F24-H51 PolarHBondContact O-ND1 3.49Å; A25-H51 PolarHBondContact O-CE1 3.24Å; P27-H51 VanDerWaalsContact CD-CE1 3.5Å; P27-H51 WeakPolarHBondContact CD-CE1 3.37Å |
| 52 | R | 92.8 | Very high | 86.8 | Confident | 181 Ų | 181 | 63.1 Ų | 63.1 | 68% | 0.683 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.1 | -178.8 | -67.8 | -176.1 | 178.3 | -173.9 | -3.2 | 110 | L22 S50 | L22-R52 VanDerWaalsContact O-CA 3.29Å; L22-R52 WeakPolarHBondContact O-CA 3.28Å; S50-R52 WeakPolarHBondContact CB-O 3.26Å; S50-R52 PolarHBondContact OG-N 3.45Å; S50-R52 VanDerWaalsContact OG-N 3.07Å; S50-R52 PolarHBondContact OG-O 3.35Å |
| 53 | L | 92.7 | Very high | 85.2 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124 | 172.7 | -178.1 | 64.1 | 0 | 0 | 0 | 108.5 | L22 F24 F28 V32 W45 L55 | L22-L53 PolarHBondContact N-O 2.92Å; L22-L53 PolarHBondContact O-N 2.88Å; F24-L53 HydrophobicContact CE2-CB 3.96Å; F28-L53 HydrophobicContact CD1-CD2 4.19Å; F28-L53 HydrophobicContact CE1-CD2 3.91Å; V32-L53 HydrophobicContact CB-CD2 4.27Å; V32-L53 HydrophobicContact CG2-CD2 3.59Å; W45-L53 HydrophobicContact CB-CD1 4.47Å; W45-L53 HydrophobicContact CB-CD2 4.32Å; L53-L55 HydrophobicContact CG-CD1 4.29Å |
| 54 | Q | 93 | Very high | 83.5 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.2 | 175.3 | -177.9 | 170.2 | 83.2 | 0 | 0 | 109.4 | T19 V20 D21 | T19-Q54 HydrophobicContact CG2-CG 3.68Å; V20-Q54 WeakPolarHBondContact O-CA 3.34Å; D21-Q54 VanDerWaalsContact OD1-CB 3.3Å; D21-Q54 WeakPolarHBondContact OD1-CB 3.33Å; D21-Q54 WeakPolarHBondContact OD1-CG 3.46Å; D21-Q54 PolarHBondContact OD1-NE2 3.36Å |
| 55 | L | 92.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.5 | 177.4 | -52.5 | 88 | 0 | 0 | 0 | 108.5 | T19 V20 L22 V32 W45 L53 L87 | T19-L55 CarbonylContact C-O 3.59Å; T19-L55 WeakPolarHBondContact CA-O 3.36Å; V20-L55 HydrophobicContact CB-CB 4.23Å; V20-L55 HydrophobicContact CB-CD1 4.13Å; V20-L55 HydrophobicContact CG1-CD1 4.33Å; V20-L55 PolarHBondContact N-O 2.94Å; V20-L55 WeakPolarHBondContact O-CD1 3.31Å; V20-L55 PolarHBondContact O-N 3.23Å; L22-L55 HydrophobicContact CD1-CD1 3.6Å; L22-L55 HydrophobicContact CG-CD1 3.77Å; V32-L55 HydrophobicContact CB-CD2 3.96Å; V32-L55 HydrophobicContact CG1-CD2 3.58Å; W45-L55 HydrophobicContact CB-CD2 4.15Å; W45-L55 HydrophobicContact CB-CG 4.22Å; W45-L55 HydrophobicContact CD2-CB 4.1Å; W45-L55 HydrophobicContact CD2-CD2 3.6Å; W45-L55 HydrophobicContact CD2-CG 3.99Å; W45-L55 HydrophobicContact CE3-CD2 3.49Å; W45-L55 VanDerWaalsContact CE3-CD2 3.49Å; W45-L55 HydrophobicContact CE3-CG 4.38Å; W45-L55 HydrophobicContact CG-CB 4.25Å; W45-L55 HydrophobicContact CG-CD2 3.9Å; W45-L55 HydrophobicContact CG-CG 3.9Å; W45-L55 HydrophobicContact CZ2-CB 4.48Å; W45-L55 HydrophobicContact CZ3-CD2 4.09Å; L53-L55 HydrophobicContact CG-CD1 4.29Å; L55-L87 HydrophobicContact CD2-CD1 4.04Å |
| 56 | R | 91.5 | Very high | 80 | Confident | 135 Ų | 135 | 81 Ų | 81 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125 | 177.1 | -64.8 | -176 | -170.2 | 173.5 | 0.5 | 109.8 | ||
| 57 | L | 89.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 94 | -175.6 | -74.3 | 148.7 | 0 | 0 | 0 | 108.4 | E17 I18 V20 W45 L59 C69 V85 | E17-L57 CarbonylContact C-O 3.59Å; E17-L57 WeakPolarHBondContact CA-O 3.42Å; I18-L57 HydrophobicContact CB-CB 4.19Å; I18-L57 PolarHBondContact N-O 3.09Å; I18-L57 PolarHBondContact O-N 3.21Å; V20-L57 HydrophobicContact CG2-CD1 4.31Å; W45-L57 HydrophobicContact CH2-CD2 3.61Å; W45-L57 HydrophobicContact CH2-CG 4.09Å; W45-L57 HydrophobicContact CZ2-CD2 4.07Å; W45-L57 HydrophobicContact CZ2-CG 4.18Å; L57-L59 PolarHBondContact O-N 3.38Å; L57-C69 HydrophobicContact CD2-CB 3.9Å; L57-V85 HydrophobicContact CD1-CG1 3.81Å |
| 58 | P | 86.6 | Confident | 77.9 | Confident | 36 Ų | 36 | 81.7 Ų | 81.7 | 23% | 0.234 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.3 | 175.9 | 23.3 | -34.8 | 0 | 0 | 0 | 111.4 | P61 Y68 L71 | P58-P61 HydrophobicContact CG-CB 4.49Å; P58-Y68 HydrophobicContact CG-CD1 4.31Å; P58-Y68 HydrophobicContact CG-CE1 3.51Å; P58-L71 WeakPolarHBondContact O-CD1 3.3Å |
| 59 | L | 80.8 | Confident | 77.6 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -77.3 | -38.8 | -179.9 | -67.8 | 178.8 | 0 | 0 | 0 | 111.9 | N14 E16 I18 L57 P61 L71 Y83 Y109 I182 | N14-L59 WeakPolarHBondContact O-CD1 3.4Å; E16-L59 PolarHBondContact O-N 3.07Å; I18-L59 HydrophobicContact CD1-CD2 3.74Å; I18-L59 HydrophobicContact CG1-CD2 3.75Å; I18-L59 HydrophobicContact CG1-CG 4.3Å; L57-L59 PolarHBondContact O-N 3.38Å; L59-P61 VanDerWaalsContact C-CD 3.43Å; L59-P61 VanDerWaalsContact O-CD 3.25Å; L59-P61 WeakPolarHBondContact O-CD 3.39Å; L59-L71 HydrophobicContact CD2-CD1 4.44Å; L59-Y83 HydrophobicContact CD2-CD1 3.78Å; L59-Y83 HydrophobicContact CD2-CD2 4.43Å; L59-Y83 HydrophobicContact CD2-CE1 4.29Å; L59-Y83 HydrophobicContact CD2-CG 3.84Å; L59-Y109 HydrophobicContact CD1-CE2 4.46Å; L59-Y109 WeakPolarHBondContact CD1-OH 3.19Å; L59-I182 HydrophobicContact CB-CG2 3.78Å; L59-I182 HydrophobicContact CD1-CD1 4.14Å; L59-I182 HydrophobicContact CD1-CG2 3.87Å; L59-I182 HydrophobicContact CG-CG2 4.46Å |
| 60 | N | 72.2 | Confident | 77.3 | Confident | 80 Ų | 80 | 75.4 Ų | 75.4 | 43% | 0.428 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -120 | 73.5 | -179.9 | -89 | 10.5 | 0 | 0 | 0 | 112.6 | S181 | N60-S181 PolarHBondContact ND2-O 2.98Š|
| 61 | P | 64.9 | Low | 77 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 130.9 | -179.2 | 27.6 | -31.4 | 0 | 0 | 0 | 111.7 | P58 L59 P63 T64 Y68 | P58-P61 HydrophobicContact CG-CB 4.49Å; L59-P61 VanDerWaalsContact C-CD 3.43Å; L59-P61 VanDerWaalsContact O-CD 3.25Å; L59-P61 WeakPolarHBondContact O-CD 3.39Å; P61-P63 CarbonylContact O-C 3.56Å; P61-T64 WeakPolarHBondContact O-CA 3.35Å; P61-T64 PolarHBondContact O-N 2.9Å; P61-Y68 HydrophobicContact CB-CD2 3.85Å; P61-Y68 HydrophobicContact CB-CE2 4.12Å; P61-Y68 HydrophobicContact CB-CG 4.12Å; P61-Y68 VanDerWaalsContact CG-CB 3.47Å; P61-Y68 HydrophobicContact CG-CD1 4.13Å; P61-Y68 HydrophobicContact CG-CD2 3.69Å; P61-Y68 HydrophobicContact CG-CE2 4.42Å; P61-Y68 HydrophobicContact CG-CG 3.52Å |
| 62 | I | 58.2 | Low | 76.4 | Confident | 169 Ų | 169 | 76.9 Ų | 76.9 | 87% | 0.867 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -100.1 | 125.9 | 173.5 | -55 | 170.2 | 0 | 0 | 0 | 108.2 | ||
| 63 | P | 53.2 | Low | 75.8 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | S | Bend | cis | -76.6 | 146.3 | -4.1 | 30.3 | -32.9 | 0 | 0 | 0 | 112.7 | P61 K65 | P61-P63 CarbonylContact O-C 3.56Å; P63-K65 PolarHBondContact O-N 2.91Å |
| 64 | T | 55.3 | Low | 75.1 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 76% | 0.761 | 38% | 0.379 | S | S | * | . | trans | -59 | 86.5 | -179.3 | 48.2 | 0 | 0 | 0 | 0 | 112 | P61 | P61-T64 WeakPolarHBondContact O-CA 3.35Å; P61-T64 PolarHBondContact O-N 2.9Å | ||
| 65 | K | 53.7 | Low | 74 | Confident | 166 Ų | 166 | 74.9 Ų | 74.9 | 72% | 0.722 | 39% | 0.385 | S | S | * | . | trans | -96.8 | 98 | 162.1 | -78.6 | -174.4 | 177.1 | 179.7 | 0 | 107.6 | P63 Y68 | P63-K65 PolarHBondContact O-N 2.91Å; K65-Y68 PolarHBondContact O-N 3.34Å | ||
| 66 | Q | 57.1 | Low | 72.7 | Confident | 185 Ų | 185 | 81 Ų | 81 | 86% | 0.864 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -81.7 | 144 | 174.4 | -74.8 | -173.8 | -20.4 | 0 | 0 | 111.5 | ||
| 67 | P | 60.6 | Low | 71.5 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | S | Bend | cis | -85.3 | 123.7 | -19 | 30.5 | -26.4 | 0 | 0 | 0 | 110.6 | F37 C69 G70 | F37-P67 WeakPolarHBondContact CE1-O 3.47Å; F37-P67 HydrophobicContact CZ-CG 4.23Å; F37-P67 WeakPolarHBondContact CZ-O 3.34Å; P67-C69 PolarHBondContact O-N 2.72Å; P67-G70 PolarHBondContact O-N 3.19Å |
| 68 | Y | 76.5 | Confident | 70.4 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -65.7 | 122.2 | 178.3 | 177 | -94.7 | 0 | 0 | 0 | 110.1 | Q42 P58 P61 K65 G70 L71 | Q42-Y68 HydrophobicContact CG-CE2 3.78Å; P58-Y68 HydrophobicContact CG-CD1 4.31Å; P58-Y68 HydrophobicContact CG-CE1 3.51Å; P61-Y68 HydrophobicContact CB-CD2 3.85Å; P61-Y68 HydrophobicContact CB-CE2 4.12Å; P61-Y68 HydrophobicContact CB-CG 4.12Å; P61-Y68 VanDerWaalsContact CG-CB 3.47Å; P61-Y68 HydrophobicContact CG-CD1 4.13Å; P61-Y68 HydrophobicContact CG-CD2 3.69Å; P61-Y68 HydrophobicContact CG-CE2 4.42Å; P61-Y68 HydrophobicContact CG-CG 3.52Å; K65-Y68 PolarHBondContact O-N 3.34Å; Y68-G70 PolarHBondContact O-N 3.42Å; Y68-L71 HydrophobicContact CD1-CD1 4.1Å; Y68-L71 WeakPolarHBondContact O-CB 3.21Å; Y68-L71 WeakPolarHBondContact O-CG 3.46Å; Y68-L71 PolarHBondContact O-N 3.25Å |
| 69 | C | 85 | Confident | 69.2 | Low | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.014 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | 50.3 | 25.5 | -178.5 | -54.9 | 0 | 0 | 0 | 0 | 115.2 | A34 C43 L57 P67 L71 V85 | A34-C69 HydrophobicContact CB-CB 3.98Å; A34-C69 WeakPolarHBondContact CB-O 3.48Å; C43-C69 WeakPolarHBondContact CA-SG 3.29Å; C43-C69 HydrophobicContact CB-CB 3.7Å; C43-C69 WeakPolarHBondContact CB-SG 3.3Å; C43-C69 WeakPolarHBondContact SG-CA 3.25Å; C43-C69 WeakPolarHBondContact SG-CB 3.39Å; C43-C69 CovalentContact SG-SG 2.02Å; C43-C69 PolarHBondContact SG-SG 2.96Å; L57-C69 HydrophobicContact CD2-CB 3.9Å; P67-C69 PolarHBondContact O-N 2.72Å; C69-L71 VanDerWaalsContact C-N 3.27Å; C69-L71 PolarHBondContact O-N 2.88Å; C69-V85 WeakPolarHBondContact O-CG2 3.45Å |
| 70 | G | 81.6 | Confident | 68.8 | Low | 15 Ų | 15 | 80.5 Ų | 80.5 | 16% | 0.155 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | 69.5 | 23 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F37 P67 Y68 E72 | F37-G70 VanDerWaalsContact CZ-N 3.34Å; P67-G70 PolarHBondContact O-N 3.19Å; Y68-G70 PolarHBondContact O-N 3.42Å; G70-E72 PolarHBondContact O-N 2.83Å |
| 71 | L | 85.8 | Confident | 69 | Low | 20 Ų | 20 | 76.8 Ų | 76.8 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 116.6 | 166.9 | -75.3 | 164 | 0 | 0 | 0 | 109 | I18 P58 L59 Y68 C69 G84 V85 | I18-L71 HydrophobicContact CD1-CD2 3.99Å; P58-L71 WeakPolarHBondContact O-CD1 3.3Å; L59-L71 HydrophobicContact CD2-CD1 4.44Å; Y68-L71 HydrophobicContact CD1-CD1 4.1Å; Y68-L71 WeakPolarHBondContact O-CB 3.21Å; Y68-L71 WeakPolarHBondContact O-CG 3.46Å; Y68-L71 PolarHBondContact O-N 3.25Å; C69-L71 VanDerWaalsContact C-N 3.27Å; C69-L71 PolarHBondContact O-N 2.88Å; L71-G84 WeakPolarHBondContact CA-O 3.34Å; L71-V85 HydrophobicContact CD2-CB 3.89Å; L71-V85 HydrophobicContact CD2-CG1 4.17Å |
| 72 | E | 81.4 | Confident | 69.7 | Low | 137 Ų | 137 | 78 Ų | 78 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.4 | 174.6 | -68.1 | -179.6 | 175.9 | 0 | 0 | 108.4 | G70 Y83 G84 | G70-E72 PolarHBondContact O-N 2.83Å; E72-Y83 WeakPolarHBondContact O-CA 3.34Å; E72-G84 PolarHBondContact N-O 3Å; E72-G84 PolarHBondContact O-N 3.27Å |
| 73 | H | 80.8 | Confident | 71 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124 | 175.2 | -177.2 | -129.8 | 0 | 0 | 0 | 109 | E75 Y83 L261 | H73-E75 WeakPolarHBondContact CE1-CG 3.45Å; H73-E75 IonicContact CE1-OE1 3.88Å; H73-E75 PolarHBondContact CE1-OE1 3.45Å; H73-E75 IonicContact ND1-OE1 2.61Å; H73-E75 PolarHBondContact ND1-OE1 3.02Å; H73-Y83 HydrophobicContact CB-CD1 4.22Å; H73-Y83 HydrophobicContact CB-CE1 3.88Å; H73-Y83 AromaticContact CD2-CD1 3.95Å; H73-Y83 AromaticContact CD2-CD2 3.85Å; H73-Y83 AromaticContact CD2-CE1 3.5Å; H73-Y83 VanDerWaalsContact CD2-CE1 3.5Å; H73-Y83 WeakPolarHBondContact CD2-CE1 3.35Å; H73-Y83 AromaticContact CD2-CE2 3.4Å; H73-Y83 WeakPolarHBondContact CD2-CE2 3.25Å; H73-Y83 AromaticContact CD2-CZ 3.19Å; H73-Y83 PolarHBondContact CD2-OH 2.89Å; H73-Y83 AromaticContact CG-CE1 3.85Å; H73-Y83 AromaticContact CG-CZ 3.87Å; H73-Y83 AromaticContact NE2-CE2 3.64Å; H73-Y83 AromaticContact NE2-CZ 3.58Å; H73-Y83 PolarHBondContact NE2-OH 2.86Å; H73-L261 WeakPolarHBondContact NE2-CD2 3.46Å |
| 74 | T | 76.5 | Confident | 72.5 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 107.4 | 176 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | F76 G81 E82 | T74-F76 HydrophobicContact CG2-CD1 4.31Å; T74-F76 HydrophobicContact CG2-CE1 3.78Å; T74-F76 HydrophobicContact CG2-CZ 4.03Å; T74-G81 CarbonylContact O-C 3.59Å; T74-G81 VanDerWaalsContact O-CA 3.27Å; T74-G81 WeakPolarHBondContact O-CA 3.15Å; T74-E82 PolarHBondContact N-O 2.96Å; T74-E82 PolarHBondContact O-N 3.43Å |
| 75 | E | 70.3 | Confident | 74 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 119.8 | 174.2 | -68.7 | 171.9 | -159.6 | 0 | 0 | 109.3 | H73 | H73-E75 WeakPolarHBondContact CE1-CG 3.45Å; H73-E75 IonicContact CE1-OE1 3.88Å; H73-E75 PolarHBondContact CE1-OE1 3.45Å; H73-E75 IonicContact ND1-OE1 2.61Å; H73-E75 PolarHBondContact ND1-OE1 3.02Å |
| 76 | F | 66.2 | Low | 75.5 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -91.7 | -33.3 | 171.3 | -56 | -67.5 | 0 | 0 | 0 | 111.1 | T74 D80 E82 | T74-F76 HydrophobicContact CG2-CD1 4.31Å; T74-F76 HydrophobicContact CG2-CE1 3.78Å; T74-F76 HydrophobicContact CG2-CZ 4.03Å; F76-D80 PolarHBondContact N-O 3.03Å; F76-E82 HydrophobicContact CE2-CB 3.79Å; F76-E82 VanDerWaalsContact CE2-CD 3.43Å; F76-E82 HydrophobicContact CE2-CG 3.58Å; F76-E82 HydrophobicContact CZ-CB 4.22Å; F76-E82 HydrophobicContact CZ-CG 4.16Å |
| 77 | S | 65.3 | Low | 76.9 | Confident | 44 Ų | 44 | 46 Ų | 46 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -145 | 177.1 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | T79 D80 | S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-OG1 3.5Å; S77-D80 PolarHBondContact N-O 3.36Å |
| 78 | Q | 65.3 | Low | 78.1 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -66.3 | -24.5 | 169.7 | -73.3 | -178.7 | 53.1 | 0 | 0 | 112.3 | R258 C260 L261 | Q78-R258 VanDerWaalsContact NE2-NH2 3.12Å; Q78-C260 CarbonylContact O-C 3.46Å; Q78-C260 VanDerWaalsContact O-CA 3.26Å; Q78-C260 WeakPolarHBondContact O-CA 3.25Å; Q78-L261 PolarHBondContact O-N 2.79Å |
| 79 | T | 63.3 | Low | 78.6 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -100.7 | -28 | -178.7 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | S77 M111 | S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-OG1 3.5Å; T79-M111 WeakPolarHBondContact O-CG 3.3Å |
| 80 | D | 72 | Confident | 78.6 | Confident | 46 Ų | 46 | 41.2 Ų | 41.2 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | trans | -117.8 | 134 | -168.6 | -51.5 | -20.4 | 0 | 0 | 0 | 110.8 | F76 S77 N110 | F76-D80 PolarHBondContact N-O 3.03Å; S77-D80 PolarHBondContact N-O 3.36Å; D80-N110 PolarHBondContact OD1-OD1 3.42Å | ||
| 81 | G | 75.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 168.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T74 Y109 L261 | T74-G81 CarbonylContact O-C 3.59Å; T74-G81 VanDerWaalsContact O-CA 3.27Å; T74-G81 WeakPolarHBondContact O-CA 3.15Å; G81-Y109 PolarHBondContact N-O 3.01Å; G81-Y109 PolarHBondContact O-N 3.38Å; G81-L261 VanDerWaalsContact CA-CD2 3.5Å |
| 82 | E | 81 | Confident | 78.3 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.1 | 178.9 | -90 | 173 | -155.3 | 0 | 0 | 110.4 | T74 F76 C107 A108 | T74-E82 PolarHBondContact N-O 2.96Å; T74-E82 PolarHBondContact O-N 3.43Å; F76-E82 HydrophobicContact CE2-CB 3.79Å; F76-E82 VanDerWaalsContact CE2-CD 3.43Å; F76-E82 HydrophobicContact CE2-CG 3.58Å; F76-E82 HydrophobicContact CZ-CB 4.22Å; F76-E82 HydrophobicContact CZ-CG 4.16Å; E82-C107 VanDerWaalsContact CA-O 3.31Å; E82-C107 WeakPolarHBondContact CA-O 3.3Å; E82-A108 HydrophobicContact CG-CB 3.93Å |
| 83 | Y | 84.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129 | 163.9 | -74.7 | -90.1 | 0 | 0 | 0 | 109.2 | L59 E72 H73 R106 C107 Y109 I182 L261 Q262 | L59-Y83 HydrophobicContact CD2-CD1 3.78Å; L59-Y83 HydrophobicContact CD2-CD2 4.43Å; L59-Y83 HydrophobicContact CD2-CE1 4.29Å; L59-Y83 HydrophobicContact CD2-CG 3.84Å; E72-Y83 WeakPolarHBondContact O-CA 3.34Å; H73-Y83 HydrophobicContact CB-CD1 4.22Å; H73-Y83 HydrophobicContact CB-CE1 3.88Å; H73-Y83 AromaticContact CD2-CD1 3.95Å; H73-Y83 AromaticContact CD2-CD2 3.85Å; H73-Y83 AromaticContact CD2-CE1 3.5Å; H73-Y83 VanDerWaalsContact CD2-CE1 3.5Å; H73-Y83 WeakPolarHBondContact CD2-CE1 3.35Å; H73-Y83 AromaticContact CD2-CE2 3.4Å; H73-Y83 WeakPolarHBondContact CD2-CE2 3.25Å; H73-Y83 AromaticContact CD2-CZ 3.19Å; H73-Y83 PolarHBondContact CD2-OH 2.89Å; H73-Y83 AromaticContact CG-CE1 3.85Å; H73-Y83 AromaticContact CG-CZ 3.87Å; H73-Y83 AromaticContact NE2-CE2 3.64Å; H73-Y83 AromaticContact NE2-CZ 3.58Å; H73-Y83 PolarHBondContact NE2-OH 2.86Å; Y83-R106 CarbonylContact O-C 3.57Å; Y83-R106 VanDerWaalsContact O-CA 3.3Å; Y83-R106 WeakPolarHBondContact O-CA 3.23Å; Y83-C107 PolarHBondContact N-O 3.44Å; Y83-C107 PolarHBondContact O-N 3.37Å; Y83-Y109 AromaticContact CD2-CD2 3.73Å; Y83-Y109 HydrophobicContact CD2-CD2 3.73Å; Y83-Y109 AromaticContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CE2-CD2 4.28Å; Y83-Y109 HydrophobicContact CE2-CE2 4.26Å; Y83-Y109 HydrophobicContact CG-CE2 4.38Å; Y83-I182 HydrophobicContact CE2-CD1 4.43Å; Y83-L261 HydrophobicContact CE2-CD1 4.44Å; Y83-Q262 PolarHBondContact OH-NE2 3.03Å |
| 84 | G | 84.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L71 E72 V105 | L71-G84 WeakPolarHBondContact CA-O 3.34Å; E72-G84 PolarHBondContact N-O 3Å; E72-G84 PolarHBondContact O-N 3.27Å; G84-V105 CarbonylContact C-O 3.51Å; G84-V105 WeakPolarHBondContact CA-O 3.42Å |
| 85 | V | 86.9 | Confident | 77.5 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.5 | 168.2 | 63 | 0 | 0 | 0 | 0 | 109.8 | A34 L57 C69 L71 L87 V105 | A34-V85 HydrophobicContact CB-CG2 4.25Å; L57-V85 HydrophobicContact CD1-CG1 3.81Å; C69-V85 WeakPolarHBondContact O-CG2 3.45Å; L71-V85 HydrophobicContact CD2-CB 3.89Å; L71-V85 HydrophobicContact CD2-CG1 4.17Å; V85-L87 HydrophobicContact CG2-CD2 4.39Å; V85-V105 HydrophobicContact CG1-CB 4.09Å; V85-V105 PolarHBondContact N-O 3.47Å; V85-V105 PolarHBondContact O-N 3.07Å |
| 86 | T | 85.6 | Confident | 77.3 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 28% | 0.282 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122 | 171.9 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | N35 T104 | N35-T86 HydrophobicContact CB-CG2 4.16Å; N35-T86 VanDerWaalsContact CB-O 3.24Å; N35-T86 WeakPolarHBondContact CB-O 3.45Å; N35-T86 PolarHBondContact N-O 3.43Å; T86-T104 PolarHBondContact OG1-OG1 3.25Å |
| 87 | L | 88 | Confident | 77.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 148.8 | 175.1 | -58.4 | 175 | 0 | 0 | 0 | 109.5 | V20 V32 A34 W45 L55 V85 L89 G102 L103 V105 | V20-L87 HydrophobicContact CG1-CD1 4.41Å; V20-L87 HydrophobicContact CG2-CD1 4.4Å; V32-L87 HydrophobicContact CG1-CB 4.14Å; A34-L87 HydrophobicContact CB-CD2 4.34Å; W45-L87 HydrophobicContact CZ3-CD2 4.17Å; L55-L87 HydrophobicContact CD2-CD1 4.04Å; V85-L87 HydrophobicContact CG2-CD2 4.39Å; L87-L89 HydrophobicContact CB-CD1 4.38Å; L87-G102 CarbonylContact O-C 3.37Å; L87-L103 HydrophobicContact CB-CB 4.44Å; L87-L103 PolarHBondContact N-O 3.01Å; L87-L103 PolarHBondContact O-N 3.37Å; L87-V105 HydrophobicContact CD1-CG2 4.07Å |
| 88 | V | 84.7 | Confident | 76.9 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.2 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | V32 F33 N35 M100 | V32-V88 WeakPolarHBondContact CA-O 3.36Å; F33-V88 HydrophobicContact CD2-CB 4.31Å; F33-V88 HydrophobicContact CE1-CB 4.14Å; F33-V88 HydrophobicContact CE1-CG1 4.07Å; F33-V88 HydrophobicContact CE2-CB 3.8Å; F33-V88 HydrophobicContact CE2-CG1 4.2Å; F33-V88 HydrophobicContact CE2-CG2 4.19Å; F33-V88 HydrophobicContact CZ-CB 3.71Å; F33-V88 HydrophobicContact CZ-CG1 3.64Å; F33-V88 HydrophobicContact CZ-CG2 4.46Å; F33-V88 PolarHBondContact N-O 3.42Å; F33-V88 PolarHBondContact O-N 3.28Å; N35-V88 HydrophobicContact CB-CG2 4.16Å; V88-M100 HydrophobicContact CG1-CB 4.37Å; V88-M100 HydrophobicContact CG1-SD 4.04Å |
| 89 | L | 87.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119 | 179.3 | -68.4 | 72 | 0 | 0 | 0 | 107.9 | T4 L6 L22 F24 V32 L87 M100 E101 L103 | T4-L89 HydrophobicContact CG2-CB 4.3Å; L6-L89 HydrophobicContact CD2-CD2 4.12Å; L22-L89 HydrophobicContact CD1-CD2 4.01Å; L22-L89 HydrophobicContact CD1-CG 4.45Å; F24-L89 HydrophobicContact CE1-CD2 4.21Å; F24-L89 HydrophobicContact CZ-CD2 4.37Å; V32-L89 HydrophobicContact CG1-CD1 4.15Å; V32-L89 HydrophobicContact CG1-CG 4.09Å; V32-L89 HydrophobicContact CG2-CG 3.95Å; L87-L89 HydrophobicContact CB-CD1 4.38Å; L89-M100 VanDerWaalsContact O-CA 3.28Å; L89-M100 WeakPolarHBondContact O-CA 3.49Å; L89-E101 HydrophobicContact CB-CB 4.47Å; L89-E101 PolarHBondContact N-O 3.31Å; L89-E101 PolarHBondContact O-N 3.49Å; L89-E101 VanDerWaalsContact O-N 3.11Å; L89-L103 HydrophobicContact CD1-CB 3.74Å; L89-L103 HydrophobicContact CD1-CD2 4.43Å |
| 90 | S | 83.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.3 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | G30 I31 M92 L95 | G30-S90 CarbonylContact C-O 3.5Å; G30-S90 VanDerWaalsContact CA-O 3.26Å; G30-S90 WeakPolarHBondContact CA-O 3.28Å; I31-S90 PolarHBondContact N-O 3.37Å; I31-S90 PolarHBondContact O-N 3Å; S90-M92 WeakPolarHBondContact CB-O 3.41Å; S90-M92 PolarHBondContact O-N 3.46Å; S90-M92 VanDerWaalsContact O-N 3.16Å; S90-M92 PolarHBondContact OG-N 3.36Å; S90-M92 PolarHBondContact OG-O 2.95Å; S90-L95 PolarHBondContact OG-O 2.93Å |
| 91 | P | 81.9 | Confident | 77.5 | Confident | 41 Ų | 41 | 53 Ų | 53 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -67.5 | -11.5 | 176.1 | 28.3 | -34.3 | 0 | 0 | 0 | 113.1 | G30 V97 | G30-P91 WeakPolarHBondContact CA-O 3.47Å; P91-V97 HydrophobicContact CG-CG2 3.79Å |
| 92 | M | 80.3 | Confident | 77.7 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 38% | 0.384 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -126.1 | 143.7 | 177.1 | -68.3 | -160.7 | -69.7 | 0 | 0 | 112.3 | I31 S90 L95 V97 | I31-M92 WeakPolarHBondContact CG2-O 3.31Å; S90-M92 WeakPolarHBondContact CB-O 3.41Å; S90-M92 PolarHBondContact O-N 3.46Å; S90-M92 VanDerWaalsContact O-N 3.16Å; S90-M92 PolarHBondContact OG-N 3.36Å; S90-M92 PolarHBondContact OG-O 2.95Å; M92-L95 HydrophobicContact CB-CB 4.4Å; M92-L95 HydrophobicContact CE-CB 3.7Å; M92-L95 HydrophobicContact CE-CD1 3.94Å; M92-L95 HydrophobicContact CE-CG 4.49Å; M92-L95 HydrophobicContact SD-CD1 4.35Å; M92-V97 HydrophobicContact CE-CB 3.85Å; M92-V97 HydrophobicContact CE-CG1 3.02Å; M92-V97 HydrophobicContact CE-CG2 3.57Å; M92-V97 HydrophobicContact CG-CG2 4.5Å |
| 93 | R | 77.9 | Confident | 77.8 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -69.2 | -44.9 | -174.6 | -59.8 | -172.4 | -177.8 | -175.6 | 1.5 | 114.1 | N29 E46 G47 | N29-R93 WeakPolarHBondContact O-CG 3.44Å; N29-R93 PolarHBondContact O-NE 3.4Å; E46-R93 IonicContact OE2-NH1 3.75Å; G47-R93 PolarHBondContact O-NH2 3.44Å |
| 94 | D | 73.6 | Confident | 77.8 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -108.4 | -4.5 | -168.5 | -58.3 | -46.4 | 0 | 0 | 0 | 113.8 | ||
| 95 | L | 71 | Confident | 77.9 | Confident | 107 Ų | 107 | 52.1 Ų | 52.1 | 56% | 0.56 | 28% | 0.282 | S | S | * | . | trans | -129.9 | 123.9 | -174.7 | -69.9 | 170.4 | 0 | 0 | 0 | 109.5 | S90 M92 V97 | S90-L95 PolarHBondContact OG-O 2.93Å; M92-L95 HydrophobicContact CB-CB 4.4Å; M92-L95 HydrophobicContact CE-CB 3.7Å; M92-L95 HydrophobicContact CE-CD1 3.94Å; M92-L95 HydrophobicContact CE-CG 4.49Å; M92-L95 HydrophobicContact SD-CD1 4.35Å; L95-V97 HydrophobicContact CB-CG1 4.32Å; L95-V97 PolarHBondContact O-N 3.3Å | ||
| 96 | L | 64.8 | Low | 77.8 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | trans | -77.6 | 115.1 | 165.1 | -59 | 176.5 | 0 | 0 | 0 | 107.3 | F33 M100 | F33-L96 HydrophobicContact CE1-CD2 3.85Å; F33-L96 HydrophobicContact CZ-CD2 3.69Å; L96-M100 HydrophobicContact CB-CE 4.14Å; L96-M100 HydrophobicContact CB-SD 3.92Å; L96-M100 HydrophobicContact CD2-SD 3.55Å; L96-M100 VanDerWaalsContact CD2-SD 3.55Å; L96-M100 HydrophobicContact CG-SD 4.26Å | ||
| 97 | V | 62.4 | Low | 77.8 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | trans | -119.9 | 163.8 | -178.1 | -80.1 | 0 | 0 | 0 | 0 | 112.6 | P91 M92 L95 G99 M100 | P91-V97 HydrophobicContact CG-CG2 3.79Å; M92-V97 HydrophobicContact CE-CB 3.85Å; M92-V97 HydrophobicContact CE-CG1 3.02Å; M92-V97 HydrophobicContact CE-CG2 3.57Å; M92-V97 HydrophobicContact CG-CG2 4.5Å; L95-V97 HydrophobicContact CB-CG1 4.32Å; L95-V97 PolarHBondContact O-N 3.3Å; V97-G99 PolarHBondContact O-N 2.94Å; V97-M100 WeakPolarHBondContact O-CG 3.2Å; V97-M100 PolarHBondContact O-N 3.34Å | ||
| 98 | E | 61.4 | Low | 77.5 | Confident | 192 Ų | 192 | 56.3 Ų | 56.3 | 90% | 0.897 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 129.3 | 166.6 | -166 | 175.3 | -169.7 | 0 | 0 | 109.8 | ||
| 99 | G | 65.9 | Low | 77.1 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.5 | 7.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G2 T4 V97 | G2-G99 WeakPolarHBondContact O-CA 3.32Å; T4-G99 WeakPolarHBondContact CG2-O 3.47Å; V97-G99 PolarHBondContact O-N 2.94Å |
| 100 | M | 70.7 | Confident | 76.4 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 38% | 0.384 | 31% | 0.31 | S | S | . | . | trans | -64.6 | 141 | 165.7 | -71.8 | -179.4 | -58.8 | 0 | 0 | 110.9 | V88 L89 L96 V97 | V88-M100 HydrophobicContact CG1-CB 4.37Å; V88-M100 HydrophobicContact CG1-SD 4.04Å; L89-M100 VanDerWaalsContact O-CA 3.28Å; L89-M100 WeakPolarHBondContact O-CA 3.49Å; L96-M100 HydrophobicContact CB-CE 4.14Å; L96-M100 HydrophobicContact CB-SD 3.92Å; L96-M100 HydrophobicContact CD2-SD 3.55Å; L96-M100 VanDerWaalsContact CD2-SD 3.55Å; L96-M100 HydrophobicContact CG-SD 4.26Å; V97-M100 WeakPolarHBondContact O-CG 3.2Å; V97-M100 PolarHBondContact O-N 3.34Å | ||
| 101 | E | 76.6 | Confident | 75.5 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.2 | 171.7 | -75.7 | 170.9 | -143.6 | 0 | 0 | 109.3 | T4 L89 | T4-E101 WeakPolarHBondContact CB-OE1 3.29Å; T4-E101 HydrophobicContact CG2-CB 4.09Å; T4-E101 HydrophobicContact CG2-CG 3.9Å; T4-E101 WeakPolarHBondContact CG2-OE1 3.29Å; T4-E101 PolarHBondContact N-OE1 2.89Å; T4-E101 PolarHBondContact OG1-OE1 3.3Å; T4-E101 PolarHBondContact OG1-OE2 3.09Å; T4-E101 VanDerWaalsContact OG1-OE2 3.07Å; L89-E101 HydrophobicContact CB-CB 4.47Å; L89-E101 PolarHBondContact N-O 3.31Å; L89-E101 PolarHBondContact O-N 3.49Å; L89-E101 VanDerWaalsContact O-N 3.11Å |
| 102 | G | 79.9 | Confident | 74.5 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 151.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | L87 D136 | L87-G102 CarbonylContact O-C 3.37Å; G102-D136 VanDerWaalsContact C-OD1 3.31Å |
| 103 | L | 82.7 | Confident | 73.2 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 115.8 | 166.6 | 174.3 | 63 | 0 | 0 | 0 | 107.8 | L22 L87 L89 V105 D136 V138 | L22-L103 HydrophobicContact CD2-CD2 3.69Å; L87-L103 HydrophobicContact CB-CB 4.44Å; L87-L103 PolarHBondContact N-O 3.01Å; L87-L103 PolarHBondContact O-N 3.37Å; L89-L103 HydrophobicContact CD1-CB 3.74Å; L89-L103 HydrophobicContact CD1-CD2 4.43Å; L103-V105 HydrophobicContact CD2-CG2 4.36Å; L103-V105 HydrophobicContact CG-CG2 4.24Å; L103-D136 WeakPolarHBondContact CA-OD1 3.26Å; L103-V138 HydrophobicContact CD1-CG2 3.86Å |
| 104 | T | 84 | Confident | 72 | Confident | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.5 | 173.7 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | T86 R106 D136 V137 V138 | T86-T104 PolarHBondContact OG1-OG1 3.25Å; T104-R106 HydrophobicContact CG2-CG 4.23Å; T104-D136 PolarHBondContact N-O 3.05Å; T104-V137 HydrophobicContact CG2-CG1 4.43Å; T104-V137 VanDerWaalsContact O-CA 3.3Å; T104-V137 WeakPolarHBondContact O-CA 3.43Å; T104-V138 PolarHBondContact O-N 2.88Å |
| 105 | V | 86.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.9 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 108.4 | V11 I18 V20 G84 V85 L87 L103 V138 | V11-V105 HydrophobicContact CB-CG1 4.38Å; V11-V105 HydrophobicContact CG1-CG1 3.68Å; V11-V105 HydrophobicContact CG2-CG1 3.7Å; V11-V105 HydrophobicContact CG2-CG2 4.16Å; I18-V105 HydrophobicContact CG2-CG1 3.97Å; V20-V105 HydrophobicContact CG1-CG2 4.18Å; V20-V105 HydrophobicContact CG2-CB 4.46Å; V20-V105 HydrophobicContact CG2-CG1 3.99Å; V20-V105 HydrophobicContact CG2-CG2 3.91Å; G84-V105 CarbonylContact C-O 3.51Å; G84-V105 WeakPolarHBondContact CA-O 3.42Å; V85-V105 HydrophobicContact CG1-CB 4.09Å; V85-V105 PolarHBondContact N-O 3.47Å; V85-V105 PolarHBondContact O-N 3.07Å; L87-V105 HydrophobicContact CD1-CG2 4.07Å; L103-V105 HydrophobicContact CD2-CG2 4.36Å; L103-V105 HydrophobicContact CG-CG2 4.24Å; V105-V138 WeakPolarHBondContact CA-O 3.38Å |
| 106 | R | 84.8 | Confident | 70 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 41% | 0.408 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.8 | 174.9 | -67.1 | -174 | 176.5 | 156.4 | -1.2 | 110.2 | Y83 T104 V137 V138 T139 G140 | Y83-R106 CarbonylContact O-C 3.57Å; Y83-R106 VanDerWaalsContact O-CA 3.3Å; Y83-R106 WeakPolarHBondContact O-CA 3.23Å; T104-R106 HydrophobicContact CG2-CG 4.23Å; R106-V137 HydrophobicContact CG-CG1 4.18Å; R106-V138 PolarHBondContact N-O 2.94Å; R106-T139 HydrophobicContact CB-CG2 4.25Å; R106-T139 CarbonylContact O-C 3.21Å; R106-T139 WeakPolarHBondContact O-CA 3.24Å; R106-G140 PolarHBondContact O-N 3.36Å |
| 107 | C | 84.5 | Confident | 69.1 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 114 | 171.1 | -73.7 | 0 | 0 | 0 | 0 | 107.9 | C13 I18 E82 Y83 Y109 G140 | C13-C107 HydrophobicContact CB-CB 3.66Å; C13-C107 WeakPolarHBondContact CB-SG 3.29Å; C13-C107 VanDerWaalsContact SG-CA 3.53Å; C13-C107 WeakPolarHBondContact SG-CB 3.38Å; C13-C107 CovalentContact SG-SG 2.02Å; C13-C107 PolarHBondContact SG-SG 3.48Å; I18-C107 HydrophobicContact CD1-CB 4.07Å; I18-C107 VanDerWaalsContact CD1-SG 3.56Å; I18-C107 HydrophobicContact CG1-CB 4.39Å; I18-C107 VanDerWaalsContact CG1-SG 3.52Å; I18-C107 VanDerWaalsContact CG2-SG 3.58Å; E82-C107 VanDerWaalsContact CA-O 3.31Å; E82-C107 WeakPolarHBondContact CA-O 3.3Å; Y83-C107 PolarHBondContact N-O 3.44Å; Y83-C107 PolarHBondContact O-N 3.37Å; C107-Y109 HydrophobicContact CB-CD2 4.41Å; C107-Y109 HydrophobicContact CB-CE2 3.57Å; C107-G140 WeakPolarHBondContact CA-O 3.21Å |
| 108 | A | 81.6 | Confident | 68 | Low | 30 Ų | 30 | 57.3 Ų | 57.3 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | E82 T139 G140 G142 | E82-A108 HydrophobicContact CG-CB 3.93Å; A108-T139 HydrophobicContact CB-CG2 4.43Å; A108-G140 PolarHBondContact N-O 2.91Å; A108-G142 PolarHBondContact O-N 3.15Å |
| 109 | Y | 77.2 | Confident | 66.9 | Low | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.8 | 174.7 | -64.7 | -89.2 | 0 | 0 | 0 | 107.5 | N14 L59 G81 Y83 C107 G142 I182 Y183 | N14-Y109 PolarHBondContact O-OH 3.42Å; L59-Y109 HydrophobicContact CD1-CE2 4.46Å; L59-Y109 WeakPolarHBondContact CD1-OH 3.19Å; G81-Y109 PolarHBondContact N-O 3.01Å; G81-Y109 PolarHBondContact O-N 3.38Å; Y83-Y109 AromaticContact CD2-CD2 3.73Å; Y83-Y109 HydrophobicContact CD2-CD2 3.73Å; Y83-Y109 AromaticContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CD2-CE2 3.53Å; Y83-Y109 HydrophobicContact CE2-CD2 4.28Å; Y83-Y109 HydrophobicContact CE2-CE2 4.26Å; Y83-Y109 HydrophobicContact CG-CE2 4.38Å; C107-Y109 HydrophobicContact CB-CD2 4.41Å; C107-Y109 HydrophobicContact CB-CE2 3.57Å; Y109-G142 VanDerWaalsContact CD1-CA 3.45Å; Y109-I182 HydrophobicContact CD1-CD1 3.76Å; Y109-I182 HydrophobicContact CD2-CD1 4.37Å; Y109-I182 HydrophobicContact CE1-CD1 3.61Å; Y109-I182 HydrophobicContact CE2-CD1 4.26Å; Y109-I182 HydrophobicContact CG-CD1 4.14Å; Y109-Y183 WeakPolarHBondContact CD1-OH 3.34Å |
| 110 | N | 72 | Confident | 65.2 | Low | 67 Ų | 67 | 59.1 Ų | 59.1 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | trans | -111.1 | 131.9 | 171.2 | -173.7 | -11 | 0 | 0 | 0 | 108.2 | D80 D112 S144 | D80-N110 PolarHBondContact OD1-OD1 3.42Å; N110-D112 PolarHBondContact ND2-OD2 3.34Å; N110-D112 WeakPolarHBondContact OD1-CB 3.14Å; N110-D112 PolarHBondContact OD1-N 3.01Å; N110-D112 PolarHBondContact OD1-OD1 2.86Å; N110-D112 PolarHBondContact OD1-OD2 2.97Å; N110-D112 VanDerWaalsContact OD1-OD2 3.1Å; N110-S144 PolarHBondContact O-OG 2.92Å; N110-S144 VanDerWaalsContact O-OG 3.09Å | ||
| 111 | M | 65.8 | Low | 63.3 | Low | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -90.1 | -3.1 | -178.7 | -68.4 | -75.2 | -83.2 | 0 | 0 | 113.5 | T79 D113 I114 P145 Y183 P259 Y297 | T79-M111 WeakPolarHBondContact O-CG 3.3Å; M111-D113 PolarHBondContact O-N 2.85Å; M111-D113 VanDerWaalsContact O-N 3.15Å; M111-I114 HydrophobicContact CB-CD1 4.42Å; M111-I114 HydrophobicContact CE-CD1 3.68Å; M111-I114 HydrophobicContact CE-CG1 4.39Å; M111-I114 WeakPolarHBondContact O-CG1 3Å; M111-I114 PolarHBondContact O-N 2.8Å; M111-I114 HydrophobicContact SD-CD1 4.35Å; M111-P145 HydrophobicContact CE-CG 3.57Å; M111-P145 WeakPolarHBondContact SD-CD 3.13Å; M111-P145 HydrophobicContact SD-CG 3.8Å; M111-Y183 HydrophobicContact CE-CD1 4Å; M111-Y183 HydrophobicContact CE-CE1 4.26Å; M111-Y183 HydrophobicContact CG-CE1 4.47Å; M111-Y183 HydrophobicContact SD-CD1 3.75Å; M111-Y183 HydrophobicContact SD-CE1 3.39Å; M111-Y183 WeakPolarHBondContact SD-CE1 3.46Å; M111-P259 HydrophobicContact CE-CB 3.17Å; M111-P259 HydrophobicContact CE-CG 3.34Å; M111-Y297 PolarHBondContact O-OH 3.18Å |
| 112 | D | 60.4 | Low | 61 | Low | 72 Ų | 72 | 63.2 Ų | 63.2 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.6 | 179 | -60.5 | -26 | 0 | 0 | 0 | 113.2 | N110 | N110-D112 PolarHBondContact ND2-OD2 3.34Å; N110-D112 WeakPolarHBondContact OD1-CB 3.14Å; N110-D112 PolarHBondContact OD1-N 3.01Å; N110-D112 PolarHBondContact OD1-OD1 2.86Å; N110-D112 PolarHBondContact OD1-OD2 2.97Å; N110-D112 VanDerWaalsContact OD1-OD2 3.1Å |
| 113 | D | 53.9 | Low | 58.6 | Low | 127 Ų | 127 | 69 Ų | 69 | 68% | 0.679 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 32.8 | -177.6 | -88 | -21.7 | 0 | 0 | 0 | 113.5 | M111 T115 S144 | M111-D113 PolarHBondContact O-N 2.85Å; M111-D113 VanDerWaalsContact O-N 3.15Å; D113-T115 PolarHBondContact O-N 2.87Å; D113-T115 VanDerWaalsContact O-N 3.1Å; D113-S144 WeakPolarHBondContact O-CB 3.35Å; D113-S144 PolarHBondContact O-OG 2.88Å |
| 114 | I | 53.2 | Low | 55.9 | Low | 16 Ų | 16 | 72.5 Ų | 72.5 | 8% | 0.082 | 43% | 0.434 | C | S | . | . | trans | -62.6 | 119 | 175.4 | -75.4 | 167.4 | 0 | 0 | 0 | 110.7 | M111 L116 P145 L147 P259 Y297 | M111-I114 HydrophobicContact CB-CD1 4.42Å; M111-I114 HydrophobicContact CE-CD1 3.68Å; M111-I114 HydrophobicContact CE-CG1 4.39Å; M111-I114 WeakPolarHBondContact O-CG1 3Å; M111-I114 PolarHBondContact O-N 2.8Å; M111-I114 HydrophobicContact SD-CD1 4.35Å; I114-L116 HydrophobicContact CG2-CD2 3.95Å; I114-L116 HydrophobicContact CG2-CG 4.41Å; I114-L116 PolarHBondContact O-N 3.15Å; I114-L116 VanDerWaalsContact O-N 3.11Å; I114-P145 HydrophobicContact CG1-CG 4.49Å; I114-P145 WeakPolarHBondContact CG2-O 3.3Å; I114-L147 HydrophobicContact CD1-CD1 4.07Å; I114-L147 HydrophobicContact CG2-CB 4.29Å; I114-L147 HydrophobicContact CG2-CD1 4.29Å; I114-L147 HydrophobicContact CG2-CG 4.5Å; I114-P259 HydrophobicContact CD1-CB 4.39Å; I114-P259 HydrophobicContact CD1-CG 3.77Å; I114-Y297 HydrophobicContact CB-CD1 4.41Å; I114-Y297 HydrophobicContact CB-CE1 3.68Å; I114-Y297 HydrophobicContact CB-CE2 4.46Å; I114-Y297 HydrophobicContact CD1-CD2 3.85Å; I114-Y297 HydrophobicContact CD1-CE1 4.02Å; I114-Y297 HydrophobicContact CD1-CE2 3.19Å; I114-Y297 HydrophobicContact CD1-CG 4.49Å; I114-Y297 HydrophobicContact CG1-CE1 4.34Å; I114-Y297 HydrophobicContact CG1-CE2 4.26Å; I114-Y297 HydrophobicContact CG2-CD1 4.44Å; I114-Y297 HydrophobicContact CG2-CE1 4.17Å | ||
| 115 | T | 54.1 | Low | 53.4 | Low | 87 Ų | 87 | 77.2 Ų | 77.2 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | trans | -70.9 | 105.7 | 168.1 | 52.6 | 0 | 0 | 0 | 0 | 109 | D113 T117 L146 | D113-T115 PolarHBondContact O-N 2.87Å; D113-T115 VanDerWaalsContact O-N 3.1Å; T115-T117 PolarHBondContact O-N 2.78Å; T115-L146 WeakPolarHBondContact O-CD1 3.41Å | ||
| 116 | L | 46.9 | Very low | 50.5 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | B | Isolated β-bridge | trans | -79.9 | 113.4 | 170 | -65.7 | 178.8 | 0 | 0 | 0 | 109.1 | I114 L118 L147 Y297 L299 | I114-L116 HydrophobicContact CG2-CD2 3.95Å; I114-L116 HydrophobicContact CG2-CG 4.41Å; I114-L116 PolarHBondContact O-N 3.15Å; I114-L116 VanDerWaalsContact O-N 3.11Å; L116-L118 HydrophobicContact CB-CD1 4.34Å; L116-L118 PolarHBondContact O-N 2.81Å; L116-L118 VanDerWaalsContact O-N 3.14Å; L116-L147 HydrophobicContact CD2-CB 4.26Å; L116-Y297 HydrophobicContact CD1-CD1 4.36Å; L116-Y297 HydrophobicContact CD2-CD1 4.11Å; L116-Y297 HydrophobicContact CG-CD1 4.46Å; L116-L299 HydrophobicContact CD2-CD2 3.45Å; L116-L299 VanDerWaalsContact CD2-CD2 3.45Å |
| 117 | T | 46.7 | Very low | 47.5 | Very low | 71 Ų | 71 | 83.8 Ų | 83.8 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | trans | -82.3 | 92.6 | 171.5 | 29 | 0 | 0 | 0 | 0 | 109.6 | T115 L146 | T115-T117 PolarHBondContact O-N 2.78Å; T117-L146 HydrophobicContact CG2-CD1 3.54Å; T117-L146 HydrophobicContact CG2-CD2 4.2Å; T117-L146 HydrophobicContact CG2-CG 4.4Å; T117-L146 WeakPolarHBondContact OG1-CD1 3.38Å | ||
| 118 | L | 40.1 | Very low | 44.7 | Very low | 131 Ų | 131 | 92 Ų | 92 | 69% | 0.686 | 57% | 0.569 | S | S | * | * | trans | -70.3 | 150.3 | 158.4 | -74.3 | 97.7 | 0 | 0 | 0 | 109.3 | L116 T120 | L116-L118 HydrophobicContact CB-CD1 4.34Å; L116-L118 PolarHBondContact O-N 2.81Å; L116-L118 VanDerWaalsContact O-N 3.14Å; L118-T120 PolarHBondContact O-N 3.25Å | ||
| 119 | P | 36.8 | Very low | 41.9 | Very low | 116 Ų | 116 | 96.3 Ų | 96.3 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -53.5 | 106.6 | 175.8 | -23.6 | 33 | 0 | 0 | 0 | 111.8 | ||
| 120 | T | 30.3 | Very low | 39.5 | Very low | 143 Ų | 143 | 101.5 Ų | 101.5 | 88% | 0.877 | 62% | 0.624 | S | S | * | * | trans | 56.4 | 113.4 | 163.5 | 57.2 | 0 | 0 | 0 | 0 | 119.2 | L118 | L118-T120 PolarHBondContact O-N 3.25Š| ||
| 121 | G | 31.4 | Very low | 37.6 | Very low | 72 Ų | 72 | 101.2 Ų | 101.2 | 74% | 0.742 | 63% | 0.626 | S | S | * | * | trans | 172.3 | 69 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 122 | I | 28.8 | Very low | 35.7 | Very low | 152 Ų | 152 | 112.4 Ų | 112.4 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | trans | 49.8 | 112.5 | 141.9 | -52.7 | 177.1 | 0 | 0 | 0 | 120 | ||||
| 123 | N | 27.8 | Very low | 34.1 | Very low | 155 Ų | 155 | 114.6 Ų | 114.6 | 83% | 0.829 | 68% | 0.684 | S | S | * | * | trans | 59 | 97.5 | 145.2 | -55 | -10.2 | 0 | 0 | 0 | 120.1 | ||||
| 124 | G | 27.7 | Very low | 33 | Very low | 75 Ų | 75 | 117.5 Ų | 117.5 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -113.6 | 131.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 125 | P | 29.7 | Very low | 32.7 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 136.7 | -179.6 | 28 | -20.6 | 0 | 0 | 0 | 111.5 | ||
| 126 | G | 25.7 | Very low | 33 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 132 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 127 | L | 23.7 | Very low | 33.9 | Very low | 165 Ų | 165 | 118 Ų | 118 | 86% | 0.864 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 117.9 | 171.9 | -83.5 | 159.1 | 0 | 0 | 0 | 109.4 | ||
| 128 | L | 23.9 | Very low | 35 | Very low | 171 Ų | 171 | 115.2 Ų | 115.2 | 90% | 0.895 | 68% | 0.682 | S | S | * | * | trans | -86.3 | 108.6 | 169.7 | -67 | 169.9 | 0 | 0 | 0 | 108.5 | ||||
| 129 | I | 24.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 111 Ų | 111 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | trans | -86.7 | 111.9 | 173.2 | -58.5 | 175.3 | 0 | 0 | 0 | 107.9 | P131 | I129-P131 WeakPolarHBondContact O-CD 3.49Š| ||
| 130 | S | 26.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 105.7 Ų | 105.7 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | trans | -69.1 | 124.5 | 170.8 | -76.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 131 | P | 30.9 | Very low | 39.7 | Very low | 60 Ų | 60 | 102.4 Ų | 102.4 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | trans | -70 | 140.7 | -179 | -18.9 | 32.6 | 0 | 0 | 0 | 113 | I129 T133 T139 | I129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-T133 PolarHBondContact O-N 3.48Å; P131-T139 WeakPolarHBondContact CB-O 3.42Å; P131-T139 WeakPolarHBondContact CG-O 3.38Å | ||
| 132 | R | 25.9 | Very low | 41.2 | Very low | 239 Ų | 239 | 99.3 Ų | 99.3 | 90% | 0.902 | 58% | 0.58 | S | S | * | * | trans | -69.4 | 110.3 | 169.3 | -77.3 | -179.9 | 173.2 | -133.8 | 0.1 | 109.6 | Y134 | R132-Y134 PolarHBondContact O-N 2.83Š| ||
| 133 | T | 28 | Very low | 42.8 | Very low | 117 Ų | 117 | 94.1 Ų | 94.1 | 72% | 0.718 | 56% | 0.564 | S | S | * | * | trans | -72.9 | 106.4 | 177.4 | 51.8 | 0 | 0 | 0 | 0 | 111 | P131 | P131-T133 PolarHBondContact O-N 3.48Š| ||
| 134 | Y | 29.4 | Very low | 44.6 | Very low | 188 Ų | 188 | 88 Ų | 88 | 74% | 0.737 | 53% | 0.533 | S | S | * | . | B | Isolated β-bridge | trans | -76.5 | 141.5 | 141.8 | -143.1 | -103.4 | 0 | 0 | 0 | 105.9 | R132 D136 V137 | R132-Y134 PolarHBondContact O-N 2.83Å; Y134-D136 PolarHBondContact O-N 2.86Å; Y134-V137 PolarHBondContact O-N 2.83Å |
| 135 | A | 47.7 | Very low | 46.6 | Very low | 89 Ų | 89 | 84.5 Ų | 84.5 | 74% | 0.736 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -4.6 | -168 | 0 | 0 | 0 | 0 | 0 | 115.3 | R9 | R9-A135 PolarHBondContact NH1-O 2.82Å; R9-A135 VanDerWaalsContact NH1-O 3.15Å; R9-A135 PolarHBondContact NH2-O 3.4Å |
| 136 | D | 60.9 | Low | 48.8 | Very low | 70 Ų | 70 | 80.4 Ų | 80.4 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -2.2 | 179.1 | -157.5 | 9.7 | 0 | 0 | 0 | 114.1 | G102 L103 T104 Y134 | G102-D136 VanDerWaalsContact C-OD1 3.31Å; L103-D136 WeakPolarHBondContact CA-OD1 3.26Å; T104-D136 PolarHBondContact N-O 3.05Å; Y134-D136 PolarHBondContact O-N 2.86Å |
| 137 | V | 64.2 | Low | 51.5 | Low | 24 Ų | 24 | 76.6 Ų | 76.6 | 15% | 0.145 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116.5 | -178 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | T104 R106 Y134 | T104-V137 HydrophobicContact CG2-CG1 4.43Å; T104-V137 VanDerWaalsContact O-CA 3.3Å; T104-V137 WeakPolarHBondContact O-CA 3.43Å; R106-V137 HydrophobicContact CG-CG1 4.18Å; Y134-V137 PolarHBondContact O-N 2.83Å |
| 138 | V | 70.7 | Confident | 54.5 | Low | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.2 | 173 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | R9 V11 L103 T104 V105 R106 | R9-V138 HydrophobicContact CB-CG2 4.46Å; R9-V138 VanDerWaalsContact CD-CG2 3.47Å; R9-V138 HydrophobicContact CG-CG2 3.67Å; V11-V138 HydrophobicContact CB-CG1 4.06Å; V11-V138 HydrophobicContact CG2-CB 3.86Å; V11-V138 HydrophobicContact CG2-CG1 3.4Å; L103-V138 HydrophobicContact CD1-CG2 3.86Å; T104-V138 PolarHBondContact O-N 2.88Å; V105-V138 WeakPolarHBondContact CA-O 3.38Å; R106-V138 PolarHBondContact N-O 2.94Å |
| 139 | T | 70.7 | Confident | 57.7 | Low | 42 Ų | 42 | 63.8 Ų | 63.8 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.7 | -180 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | R106 A108 P131 | R106-T139 HydrophobicContact CB-CG2 4.25Å; R106-T139 CarbonylContact O-C 3.21Å; R106-T139 WeakPolarHBondContact O-CA 3.24Å; A108-T139 HydrophobicContact CB-CG2 4.43Å; P131-T139 WeakPolarHBondContact CB-O 3.42Å; P131-T139 WeakPolarHBondContact CG-O 3.38Å |
| 140 | G | 67.1 | Low | 61 | Low | 6 Ų | 6 | 59.1 Ų | 59.1 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 161.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | C13 R106 C107 A108 | C13-G140 VanDerWaalsContact SG-C 3.53Å; C13-G140 WeakPolarHBondContact SG-CA 3.35Å; R106-G140 PolarHBondContact O-N 3.36Å; C107-G140 WeakPolarHBondContact CA-O 3.21Å; A108-G140 PolarHBondContact N-O 2.91Å |
| 141 | S | 68.6 | Low | 64.2 | Low | 73 Ų | 73 | 54.1 Ų | 54.1 | 51% | 0.51 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.3 | 171.4 | -167.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 142 | G | 62.5 | Low | 67.3 | Low | 7 Ų | 7 | 53 Ų | 53 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 151.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A108 Y109 | A108-G142 PolarHBondContact O-N 3.15Å; Y109-G142 VanDerWaalsContact CD1-CA 3.45Å |
| 143 | G | 61.4 | Low | 70.7 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 138.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y183 | G143-Y183 PolarHBondContact O-OH 3.43Š|
| 144 | S | 67.1 | Low | 73.9 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -76.5 | 147.8 | 177.8 | -44.6 | 0 | 0 | 0 | 0 | 111.7 | N110 D113 | N110-S144 PolarHBondContact O-OG 2.92Å; N110-S144 VanDerWaalsContact O-OG 3.09Å; D113-S144 WeakPolarHBondContact O-CB 3.35Å; D113-S144 PolarHBondContact O-OG 2.88Å |
| 145 | P | 70.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 153 | -175.5 | 30.2 | -33.6 | 0 | 0 | 0 | 112.4 | M111 I114 M177 Y183 | M111-P145 HydrophobicContact CE-CG 3.57Å; M111-P145 WeakPolarHBondContact SD-CD 3.13Å; M111-P145 HydrophobicContact SD-CG 3.8Å; I114-P145 HydrophobicContact CG1-CG 4.49Å; I114-P145 WeakPolarHBondContact CG2-O 3.3Å; P145-M177 HydrophobicContact CB-CE 4.21Å; P145-M177 HydrophobicContact CB-CG 4.07Å; P145-M177 HydrophobicContact CB-SD 4.14Å; P145-M177 HydrophobicContact CG-CE 3.9Å; P145-M177 HydrophobicContact CG-SD 4.34Å; P145-Y183 HydrophobicContact CB-CD2 3.71Å; P145-Y183 HydrophobicContact CB-CE2 4.14Å; P145-Y183 HydrophobicContact CB-CG 4.07Å; P145-Y183 HydrophobicContact CG-CD1 4.09Å; P145-Y183 HydrophobicContact CG-CD2 3.86Å; P145-Y183 HydrophobicContact CG-CE1 4.41Å; P145-Y183 HydrophobicContact CG-CE2 4.18Å; P145-Y183 HydrophobicContact CG-CG 3.8Å |
| 146 | L | 74.8 | Confident | 79.4 | Confident | 40 Ų | 40 | 31 Ų | 31 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | trans | -84 | 115 | 175.8 | -174.2 | 64.9 | 0 | 0 | 0 | 111.2 | T115 T117 E178 | T115-L146 WeakPolarHBondContact O-CD1 3.41Å; T117-L146 HydrophobicContact CG2-CD1 3.54Å; T117-L146 HydrophobicContact CG2-CD2 4.2Å; T117-L146 HydrophobicContact CG2-CG 4.4Å; T117-L146 WeakPolarHBondContact OG1-CD1 3.38Å; L146-E178 HydrophobicContact CD2-CG 4.48Å; L146-E178 PolarHBondContact O-N 3.41Å | ||
| 147 | L | 82.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.1 | 172.4 | -78.3 | 173 | 0 | 0 | 0 | 111.1 | I114 L116 M177 F185 V257 Y297 | I114-L147 HydrophobicContact CD1-CD1 4.07Å; I114-L147 HydrophobicContact CG2-CB 4.29Å; I114-L147 HydrophobicContact CG2-CD1 4.29Å; I114-L147 HydrophobicContact CG2-CG 4.5Å; L116-L147 HydrophobicContact CD2-CB 4.26Å; L147-M177 HydrophobicContact CD1-CE 4.48Å; L147-M177 HydrophobicContact CD2-CB 3.94Å; L147-M177 HydrophobicContact CD2-CE 3.71Å; L147-M177 HydrophobicContact CD2-CG 4.37Å; L147-M177 HydrophobicContact CG-CE 4.11Å; L147-F185 HydrophobicContact CD2-CD2 4.4Å; L147-F185 HydrophobicContact CD2-CG 4.3Å; L147-V257 HydrophobicContact CD1-CG1 3.88Å; L147-V257 HydrophobicContact CD2-CG1 4.11Å; L147-Y297 HydrophobicContact CD1-CD2 4.44Å; L147-Y297 HydrophobicContact CD1-CG 4.48Å |
| 148 | K | 85.8 | Confident | 82.2 | Confident | 51 Ų | 51 | 35.2 Ų | 35.2 | 22% | 0.222 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.5 | 175.2 | 63.6 | -175.5 | 175.4 | -174.5 | 0 | 112 | V175 I176 E178 | K148-V175 WeakPolarHBondContact O-CA 3.23Å; K148-I176 HydrophobicContact CD-CB 4.39Å; K148-I176 HydrophobicContact CD-CD1 4.25Å; K148-I176 HydrophobicContact CG-CB 3.74Å; K148-I176 HydrophobicContact CG-CD1 4.15Å; K148-I176 HydrophobicContact CG-CG1 4.31Å; K148-I176 PolarHBondContact N-O 3.09Å; K148-I176 PolarHBondContact O-N 3.01Å; K148-E178 WeakPolarHBondContact CE-OE1 3.21Å; K148-E178 IonicContact NZ-OE1 2.56Å; K148-E178 PolarHBondContact NZ-OE1 3.05Å |
| 149 | M | 92.1 | Very high | 83.2 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.8 | 173.9 | -177 | 167.8 | 80.2 | 0 | 0 | 109.5 | L173 V175 V253 C255 L299 T300 A301 | M149-L173 HydrophobicContact CG-CD1 3.82Å; M149-L173 HydrophobicContact SD-CD1 3.95Å; M149-V175 HydrophobicContact CB-CG2 4.38Å; M149-V175 HydrophobicContact CG-CG2 3.96Å; M149-V175 HydrophobicContact SD-CG2 4.02Å; M149-V253 WeakPolarHBondContact CE-O 3.4Å; M149-C255 HydrophobicContact SD-CB 3.9Å; M149-L299 HydrophobicContact CB-CB 3.88Å; M149-L299 HydrophobicContact CB-CD1 3.82Å; M149-L299 HydrophobicContact CB-CG 4.47Å; M149-L299 VanDerWaalsContact CE-C 3.44Å; M149-L299 HydrophobicContact CE-CB 3.94Å; M149-L299 VanDerWaalsContact CE-O 3.3Å; M149-L299 WeakPolarHBondContact CE-O 3.45Å; M149-L299 HydrophobicContact SD-CB 3.92Å; M149-T300 VanDerWaalsContact CE-CA 3.43Å; M149-A301 HydrophobicContact CE-CB 3.61Å; M149-A301 HydrophobicContact CG-CB 4.31Å |
| 150 | V | 94.3 | Very high | 84.3 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 15% | 0.152 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.8 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | R152 V161 D174 I176 | V150-R152 HydrophobicContact CG2-CG 4.28Å; V150-V161 HydrophobicContact CB-CG1 4.01Å; V150-V161 HydrophobicContact CB-CG2 4.03Å; V150-V161 HydrophobicContact CG1-CG1 4.24Å; V150-V161 HydrophobicContact CG1-CG2 4.28Å; V150-V161 HydrophobicContact CG2-CG2 4.06Å; V150-D174 HydrophobicContact CG2-CB 4.15Å; V150-D174 PolarHBondContact N-O 3.18Å; V150-D174 PolarHBondContact O-N 2.97Å; V150-I176 HydrophobicContact CG2-CD1 3.82Å |
| 151 | I | 94.3 | Very high | 85.6 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.5 | 170.3 | -60.7 | 165.6 | 0 | 0 | 0 | 107.9 | V161 V162 V171 T172 L173 A301 I303 | I151-V161 WeakPolarHBondContact O-CA 3.44Å; I151-V162 HydrophobicContact CG2-CG2 4.22Å; I151-V162 PolarHBondContact O-N 2.78Å; I151-V171 HydrophobicContact CG2-CB 3.97Å; I151-V171 HydrophobicContact CG2-CG2 4.3Å; I151-T172 CarbonylContact C-O 3.56Å; I151-T172 WeakPolarHBondContact CA-O 3.29Å; I151-L173 HydrophobicContact CG1-CD1 4.04Å; I151-A301 HydrophobicContact CD1-CB 4.2Å; I151-A301 HydrophobicContact CG1-CB 4.38Å; I151-I303 HydrophobicContact CB-CD1 4.11Å; I151-I303 HydrophobicContact CD1-CB 3.82Å; I151-I303 HydrophobicContact CD1-CD1 3.87Å; I151-I303 HydrophobicContact CD1-CG1 4.43Å; I151-I303 HydrophobicContact CD1-CG2 4Å; I151-I303 HydrophobicContact CG2-CD1 3.64Å |
| 152 | R | 96 | Very high | 86.8 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 148.4 | -177.5 | -62.2 | -179.5 | 179.9 | -81.6 | 1.1 | 111.6 | V150 I157 G159 S160 V171 T172 D174 | V150-R152 HydrophobicContact CG2-CG 4.28Å; R152-I157 PolarHBondContact NE-O 3.3Å; R152-G159 WeakPolarHBondContact CD-O 3.44Å; R152-G159 PolarHBondContact NH1-O 2.8Å; R152-S160 CarbonylContact C-O 3.44Å; R152-S160 VanDerWaalsContact CA-O 3.25Å; R152-S160 WeakPolarHBondContact CA-O 3Å; R152-V171 CarbonylContact O-C 3.58Å; R152-V171 VanDerWaalsContact O-CA 3.23Å; R152-V171 WeakPolarHBondContact O-CA 3.08Å; R152-T172 PolarHBondContact N-O 3.25Å; R152-T172 PolarHBondContact O-N 2.78Å; R152-D174 HydrophobicContact CG-CB 4.49Å; R152-D174 IonicContact CZ-OD2 3.65Å; R152-D174 IonicContact NE-OD2 3.15Å; R152-D174 PolarHBondContact NE-OD2 2.9Å; R152-D174 IonicContact NH2-OD2 3.73Å; R152-D174 PolarHBondContact NH2-OD2 2.87Å |
| 153 | D | 96 | Very high | 88.1 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 136.2 | 171.5 | -173.4 | 35 | 0 | 0 | 0 | 111.6 | G159 S160 V162 Q169 | D153-G159 VanDerWaalsContact O-CA 3.28Å; D153-G159 WeakPolarHBondContact O-CA 3.42Å; D153-S160 PolarHBondContact N-O 2.86Å; D153-V162 HydrophobicContact CB-CG1 3.86Å; D153-Q169 PolarHBondContact OD1-NE2 3.17Å |
| 154 | G | 96.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 76.3 | -178.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R170 V171 T172 | G154-R170 VanDerWaalsContact CA-O 3.29Å; G154-R170 WeakPolarHBondContact CA-O 3.34Å; G154-R170 PolarHBondContact N-O 2.94Å; G154-V171 CarbonylContact O-C 3.52Å; G154-V171 WeakPolarHBondContact O-CA 3.1Å; G154-T172 PolarHBondContact O-N 2.81Å; G154-T172 PolarHBondContact O-OG1 3.4Å |
| 155 | H | 97.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -96.7 | 115.2 | 176.5 | -71.8 | 174.1 | 0 | 0 | 0 | 110.1 | V171 T172 D220 H239 M240 Y241 | H155-V171 PolarHBondContact CD2-O 2.82Å; H155-T172 VanDerWaalsContact CA-OG1 3.27Å; H155-T172 WeakPolarHBondContact CA-OG1 3.36Å; H155-D220 IonicContact CE1-OD2 3.28Å; H155-H239 AromaticContact CD2-CG 3.95Å; H155-H239 AromaticContact CG-CD2 3.97Å; H155-H239 AromaticContact CG-CG 3.79Å; H155-M240 PolarHBondContact NE2-O 3.41Å; H155-Y241 AromaticContact CE1-CZ 3.61Å |
| 156 | G | 94 | Very high | 91.9 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 125.1 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T172 H239 | G156-T172 PolarHBondContact N-OG1 3.06Å; G156-T172 PolarHBondContact O-OG1 3.07Å; G156-H239 PolarHBondContact N-NE2 2.61Å |
| 157 | I | 93.3 | Very high | 92.8 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.9 | -174.1 | 63.6 | 166 | 0 | 0 | 0 | 114.7 | R152 T226 H235 Y237 | R152-I157 PolarHBondContact NE-O 3.3Å; I157-T226 HydrophobicContact CD1-CG2 3.61Å; I157-H235 HydrophobicContact CG2-CB 4.08Å; I157-Y237 HydrophobicContact CG2-CD1 3.49Å; I157-Y237 VanDerWaalsContact CG2-CD1 3.49Å; I157-Y237 HydrophobicContact CG2-CD2 4.3Å; I157-Y237 HydrophobicContact CG2-CE1 3.74Å; I157-Y237 HydrophobicContact CG2-CE2 4.48Å; I157-Y237 HydrophobicContact CG2-CG 3.8Å |
| 158 | Q | 91.7 | Very high | 93.2 | Very high | 157 Ų | 157 | 51.4 Ų | 51.4 | 73% | 0.734 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10.6 | -177.9 | -58.1 | -60.2 | -19 | 0 | 0 | 113.2 | ||
| 159 | G | 90.7 | Very high | 93.6 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -65.2 | 149.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R152 D153 | R152-G159 WeakPolarHBondContact CD-O 3.44Å; R152-G159 PolarHBondContact NH1-O 2.8Å; D153-G159 VanDerWaalsContact O-CA 3.28Å; D153-G159 WeakPolarHBondContact O-CA 3.42Å |
| 160 | S | 94.7 | Very high | 93.8 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 148 | 170.1 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | R152 D153 | R152-S160 CarbonylContact C-O 3.44Å; R152-S160 VanDerWaalsContact CA-O 3.25Å; R152-S160 WeakPolarHBondContact CA-O 3Å; D153-S160 PolarHBondContact N-O 2.86Å |
| 161 | V | 94 | Very high | 93.9 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 132.7 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 109 | V150 I151 | V150-V161 HydrophobicContact CB-CG1 4.01Å; V150-V161 HydrophobicContact CB-CG2 4.03Å; V150-V161 HydrophobicContact CG1-CG1 4.24Å; V150-V161 HydrophobicContact CG1-CG2 4.28Å; V150-V161 HydrophobicContact CG2-CG2 4.06Å; I151-V161 WeakPolarHBondContact O-CA 3.44Å |
| 162 | V | 92.7 | Very high | 94.1 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | trans | -126.5 | 145.5 | -176.7 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | I151 D153 V165 I303 | I151-V162 HydrophobicContact CG2-CG2 4.22Å; I151-V162 PolarHBondContact O-N 2.78Å; D153-V162 HydrophobicContact CB-CG1 3.86Å; V162-V165 HydrophobicContact CB-CG1 4.38Å; V162-V165 HydrophobicContact CG2-CG1 3.73Å; V162-I303 HydrophobicContact CG2-CD1 4.44Å | ||
| 163 | D | 90.7 | Very high | 94.1 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -111.4 | -12.1 | 175.2 | 64.2 | -1.6 | 0 | 0 | 0 | 112.9 | I303 R304 | D163-I303 WeakPolarHBondContact O-CA 3.17Å; D163-I303 WeakPolarHBondContact O-CG1 3.25Å; D163-R304 PolarHBondContact O-N 3.13Å |
| 164 | T | 91.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 130.3 | -177.1 | -51.3 | 0 | 0 | 0 | 0 | 109.5 | R304 E306 | T164-R304 CarbonylContact C-O 3.53Å; T164-R304 VanDerWaalsContact CA-O 3.28Å; T164-R304 WeakPolarHBondContact CA-O 3.17Å; T164-R304 HydrophobicContact CG2-CB 4.38Å; T164-R304 HydrophobicContact CG2-CG 4.46Å; T164-E306 HydrophobicContact CG2-CG 3.85Å |
| 165 | V | 93.1 | Very high | 94 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.1 | -177.7 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | V162 V171 I303 R304 V305 E306 | V162-V165 HydrophobicContact CB-CG1 4.38Å; V162-V165 HydrophobicContact CG2-CG1 3.73Å; V165-V171 HydrophobicContact CB-CG1 4.22Å; V165-V171 HydrophobicContact CG1-CG1 3.65Å; V165-I303 HydrophobicContact CB-CD1 4.13Å; V165-I303 HydrophobicContact CG1-CD1 3.45Å; V165-I303 VanDerWaalsContact CG1-CD1 3.45Å; V165-I303 HydrophobicContact CG1-CG1 4.24Å; V165-I303 HydrophobicContact CG2-CD1 3.59Å; V165-I303 HydrophobicContact CG2-CG1 3.9Å; V165-R304 PolarHBondContact N-O 2.93Å; V165-V305 HydrophobicContact CG2-CG2 3.89Å; V165-V305 CarbonylContact O-C 3.54Å; V165-V305 VanDerWaalsContact O-CA 3.25Å; V165-V305 WeakPolarHBondContact O-CA 3.48Å; V165-E306 PolarHBondContact O-N 3.23Å |
| 166 | H | 93.1 | Very high | 93.8 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 48% | 0.477 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 154.7 | 174.4 | -55.8 | 82.9 | 0 | 0 | 0 | 111.2 | G168 Q169 E306 | H166-G168 PolarHBondContact O-N 2.93Å; H166-Q169 HydrophobicContact CB-CB 4.3Å; H166-Q169 PolarHBondContact ND1-OE1 2.86Å; H166-Q169 WeakPolarHBondContact O-CB 3.26Å; H166-Q169 PolarHBondContact O-N 2.91Å; H166-E306 IonicContact NE2-OE2 3.47Å |
| 167 | V | 93.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 47 Ų | 47 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 129 | 170.7 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | Q169 G242 Q244 V305 E306 | V167-Q169 VanDerWaalsContact C-N 3.27Å; V167-Q169 PolarHBondContact O-N 2.94Å; V167-G242 CarbonylContact C-O 3.51Å; V167-G242 WeakPolarHBondContact CA-O 3.34Å; V167-Q244 HydrophobicContact CG2-CG 4.36Å; V167-V305 HydrophobicContact CG2-CG1 3.61Å; V167-E306 PolarHBondContact N-O 3.26Å |
| 168 | G | 91.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -5.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H166 G242 | H166-G168 PolarHBondContact O-N 2.93Å; G168-G242 PolarHBondContact N-O 2.74Å |
| 169 | Q | 94.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 44.6 Ų | 44.6 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | trans | -62 | 137 | 174 | -178.4 | 175.4 | -15.2 | 0 | 0 | 110 | D153 H166 V167 V171 Y241 G242 | D153-Q169 PolarHBondContact OD1-NE2 3.17Å; H166-Q169 HydrophobicContact CB-CB 4.3Å; H166-Q169 PolarHBondContact ND1-OE1 2.86Å; H166-Q169 WeakPolarHBondContact O-CB 3.26Å; H166-Q169 PolarHBondContact O-N 2.91Å; V167-Q169 VanDerWaalsContact C-N 3.27Å; V167-Q169 PolarHBondContact O-N 2.94Å; Q169-V171 HydrophobicContact CG-CG1 4.32Å; Q169-V171 PolarHBondContact O-N 2.85Å; Q169-Y241 CarbonylContact O-C 3.47Å; Q169-Y241 VanDerWaalsContact O-CA 3.23Å; Q169-Y241 WeakPolarHBondContact O-CA 3.46Å; Q169-G242 PolarHBondContact O-N 3.28Å | ||
| 170 | R | 96.9 | Very high | 91.6 | Very high | 155 Ų | 155 | 45.3 Ų | 45.3 | 59% | 0.585 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128 | 175.5 | -69.6 | 177 | -173.7 | 171.4 | -1.3 | 109.5 | G154 Y241 | G154-R170 VanDerWaalsContact CA-O 3.29Å; G154-R170 WeakPolarHBondContact CA-O 3.34Å; G154-R170 PolarHBondContact N-O 2.94Å; R170-Y241 HydrophobicContact CG-CD1 3.96Å; R170-Y241 HydrophobicContact CG-CE1 3.61Å |
| 171 | V | 96.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 160.1 | 179.5 | -58 | 0 | 0 | 0 | 0 | 110.2 | I151 R152 G154 H155 V165 Q169 M240 | I151-V171 HydrophobicContact CG2-CB 3.97Å; I151-V171 HydrophobicContact CG2-CG2 4.3Å; R152-V171 CarbonylContact O-C 3.58Å; R152-V171 VanDerWaalsContact O-CA 3.23Å; R152-V171 WeakPolarHBondContact O-CA 3.08Å; G154-V171 CarbonylContact O-C 3.52Å; G154-V171 WeakPolarHBondContact O-CA 3.1Å; H155-V171 PolarHBondContact CD2-O 2.82Å; V165-V171 HydrophobicContact CB-CG1 4.22Å; V165-V171 HydrophobicContact CG1-CG1 3.65Å; Q169-V171 HydrophobicContact CG-CG1 4.32Å; Q169-V171 PolarHBondContact O-N 2.85Å; V171-M240 HydrophobicContact CG2-CB 3.89Å; V171-M240 HydrophobicContact CG2-CE 4.21Å; V171-M240 PolarHBondContact N-O 3.25Å; V171-M240 CarbonylContact O-C 3.55Å; V171-M240 PolarHBondContact O-N 3.12Å |
| 172 | T | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.6 | 178 | -60.2 | 0 | 0 | 0 | 0 | 110 | I151 R152 G154 H155 G156 Y237 V238 | I151-T172 CarbonylContact C-O 3.56Å; I151-T172 WeakPolarHBondContact CA-O 3.29Å; R152-T172 PolarHBondContact N-O 3.25Å; R152-T172 PolarHBondContact O-N 2.78Å; G154-T172 PolarHBondContact O-N 2.81Å; G154-T172 PolarHBondContact O-OG1 3.4Å; H155-T172 VanDerWaalsContact CA-OG1 3.27Å; H155-T172 WeakPolarHBondContact CA-OG1 3.36Å; G156-T172 PolarHBondContact N-OG1 3.06Å; G156-T172 PolarHBondContact O-OG1 3.07Å; T172-Y237 HydrophobicContact CG2-CD2 3.7Å; T172-Y237 HydrophobicContact CG2-CG 4.1Å; T172-V238 WeakPolarHBondContact CA-O 3.37Å |
| 173 | L | 96.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.5 | 165.3 | -179.7 | 65.2 | 0 | 0 | 0 | 107.8 | M149 I151 I205 Y237 V238 M240 V253 | M149-L173 HydrophobicContact CG-CD1 3.82Å; M149-L173 HydrophobicContact SD-CD1 3.95Å; I151-L173 HydrophobicContact CG1-CD1 4.04Å; L173-I205 HydrophobicContact CD2-CG2 4.45Å; L173-Y237 CarbonylContact O-C 3.46Å; L173-Y237 WeakPolarHBondContact O-CA 3.25Å; L173-Y237 WeakPolarHBondContact O-CB 3.06Å; L173-V238 PolarHBondContact N-O 2.99Å; L173-V238 PolarHBondContact O-N 3.09Å; L173-M240 HydrophobicContact CB-CE 3.65Å; L173-M240 HydrophobicContact CB-SD 4.09Å; L173-V253 HydrophobicContact CD1-CG1 3.96Å; L173-V253 HydrophobicContact CD2-CG1 3.72Å |
| 174 | D | 95.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.1 | -175.5 | -175.2 | 20.2 | 0 | 0 | 0 | 110.1 | V150 R152 I176 H235 | V150-D174 HydrophobicContact CG2-CB 4.15Å; V150-D174 PolarHBondContact N-O 3.18Å; V150-D174 PolarHBondContact O-N 2.97Å; R152-D174 HydrophobicContact CG-CB 4.49Å; R152-D174 IonicContact CZ-OD2 3.65Å; R152-D174 IonicContact NE-OD2 3.15Å; R152-D174 PolarHBondContact NE-OD2 2.9Å; R152-D174 IonicContact NH2-OD2 3.73Å; R152-D174 PolarHBondContact NH2-OD2 2.87Å; D174-I176 HydrophobicContact CB-CG1 4.48Å; D174-I176 WeakPolarHBondContact OD1-CG1 3.49Å; D174-I176 VanDerWaalsContact OD2-CD1 3.29Å; D174-I176 WeakPolarHBondContact OD2-CD1 3.49Å; D174-I176 WeakPolarHBondContact OD2-CG1 3.27Å; D174-H235 WeakPolarHBondContact OD1-CB 2.81Å; D174-H235 IonicContact OD1-CG 2.73Å; D174-H235 IonicContact OD1-ND1 3.73Å; D174-H235 PolarHBondContact OD1-ND1 3.06Å; D174-H235 IonicContact OD2-CE1 3.35Å; D174-H235 IonicContact OD2-ND1 2.69Å; D174-H235 PolarHBondContact OD2-ND1 3.26Å |
| 175 | V | 94.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 128.2 | 172.1 | -175 | 0 | 0 | 0 | 0 | 108.3 | K148 M149 F185 V187 H235 V236 V257 L299 | K148-V175 WeakPolarHBondContact O-CA 3.23Å; M149-V175 HydrophobicContact CB-CG2 4.38Å; M149-V175 HydrophobicContact CG-CG2 3.96Å; M149-V175 HydrophobicContact SD-CG2 4.02Å; V175-F185 HydrophobicContact CB-CE2 4.21Å; V175-F185 HydrophobicContact CG1-CD2 4.47Å; V175-F185 HydrophobicContact CG1-CE2 3.67Å; V175-F185 HydrophobicContact CG1-CZ 4.32Å; V175-F185 WeakPolarHBondContact O-CZ 3.28Å; V175-V187 HydrophobicContact CB-CG2 3.84Å; V175-V187 HydrophobicContact CG1-CG2 3.85Å; V175-V187 HydrophobicContact CG2-CG1 4.28Å; V175-V187 HydrophobicContact CG2-CG2 4Å; V175-H235 WeakPolarHBondContact O-CA 3.16Å; V175-V236 PolarHBondContact N-O 3.02Å; V175-V236 PolarHBondContact O-N 3.36Å; V175-V257 HydrophobicContact CG1-CG2 3.98Å; V175-L299 HydrophobicContact CG1-CD1 3.78Å |
| 176 | I | 92.2 | Very high | 89 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.6 | -164.7 | -44.8 | 166.7 | 0 | 0 | 0 | 109.2 | K148 V150 D174 A233 K234 | K148-I176 HydrophobicContact CD-CB 4.39Å; K148-I176 HydrophobicContact CD-CD1 4.25Å; K148-I176 HydrophobicContact CG-CB 3.74Å; K148-I176 HydrophobicContact CG-CD1 4.15Å; K148-I176 HydrophobicContact CG-CG1 4.31Å; K148-I176 PolarHBondContact N-O 3.09Å; K148-I176 PolarHBondContact O-N 3.01Å; V150-I176 HydrophobicContact CG2-CD1 3.82Å; D174-I176 HydrophobicContact CB-CG1 4.48Å; D174-I176 WeakPolarHBondContact OD1-CG1 3.49Å; D174-I176 VanDerWaalsContact OD2-CD1 3.29Å; D174-I176 WeakPolarHBondContact OD2-CD1 3.49Å; D174-I176 WeakPolarHBondContact OD2-CG1 3.27Å; I176-A233 HydrophobicContact CG2-CB 4.31Å; I176-K234 WeakPolarHBondContact CA-O 3.11Å |
| 177 | M | 86.5 | Confident | 89 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.4 | 162.5 | -176.5 | 178.5 | -80.8 | 0 | 0 | 107.5 | P145 L147 D179 T180 Y183 F185 A233 K234 P259 | P145-M177 HydrophobicContact CB-CE 4.21Å; P145-M177 HydrophobicContact CB-CG 4.07Å; P145-M177 HydrophobicContact CB-SD 4.14Å; P145-M177 HydrophobicContact CG-CE 3.9Å; P145-M177 HydrophobicContact CG-SD 4.34Å; L147-M177 HydrophobicContact CD1-CE 4.48Å; L147-M177 HydrophobicContact CD2-CB 3.94Å; L147-M177 HydrophobicContact CD2-CE 3.71Å; L147-M177 HydrophobicContact CD2-CG 4.37Å; L147-M177 HydrophobicContact CG-CE 4.11Å; M177-D179 WeakPolarHBondContact CG-O 3.42Å; M177-T180 HydrophobicContact CB-CG2 4.09Å; M177-T180 HydrophobicContact CG-CG2 3.96Å; M177-T180 HydrophobicContact SD-CG2 4Å; M177-Y183 VanDerWaalsContact SD-CB 3.58Å; M177-F185 HydrophobicContact CB-CD1 3.43Å; M177-F185 VanDerWaalsContact CB-CD1 3.43Å; M177-F185 HydrophobicContact CB-CE1 3.3Å; M177-F185 HydrophobicContact CB-CG 4.45Å; M177-F185 HydrophobicContact CB-CZ 4.24Å; M177-F185 HydrophobicContact CE-CB 3.71Å; M177-F185 HydrophobicContact CE-CD1 3.83Å; M177-F185 HydrophobicContact CE-CG 4.04Å; M177-F185 HydrophobicContact CG-CD1 4.27Å; M177-F185 HydrophobicContact SD-CD1 3.89Å; M177-A233 CarbonylContact O-C 3.46Å; M177-A233 WeakPolarHBondContact O-CA 3.47Å; M177-K234 PolarHBondContact N-O 3.47Å; M177-K234 PolarHBondContact O-N 2.91Å; M177-P259 HydrophobicContact CE-CB 4.01Å |
| 178 | E | 82.2 | Confident | 89 | Confident | 84 Ų | 84 | 24.1 Ų | 24.1 | 39% | 0.393 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -73.1 | -36.7 | -175.7 | -66 | -168.4 | 165.4 | 0 | 0 | 112.6 | L146 K148 A233 | L146-E178 HydrophobicContact CD2-CG 4.48Å; L146-E178 PolarHBondContact O-N 3.41Å; K148-E178 WeakPolarHBondContact CE-OE1 3.21Å; K148-E178 IonicContact NZ-OE1 2.56Å; K148-E178 PolarHBondContact NZ-OE1 3.05Å; E178-A233 WeakPolarHBondContact O-CA 3.48Å; E178-A233 PolarHBondContact O-N 2.84Å |
| 179 | D | 75.2 | Confident | 89.1 | Confident | 47 Ų | 47 | 25.1 Ų | 25.1 | 25% | 0.251 | 12% | 0.12 | S | C | . | . | trans | -113.7 | 106.4 | -176.2 | -179.1 | 0.4 | 0 | 0 | 0 | 110.5 | S15 M177 S181 | S15-D179 WeakPolarHBondContact CB-OD2 3.08Å; S15-D179 PolarHBondContact OG-OD1 3.21Å; S15-D179 VanDerWaalsContact OG-OD1 3.12Å; S15-D179 PolarHBondContact OG-OD2 3.13Å; M177-D179 WeakPolarHBondContact CG-O 3.42Å; D179-S181 WeakPolarHBondContact OD1-CB 3.4Å; D179-S181 PolarHBondContact OD1-N 2.79Å; D179-S181 PolarHBondContact OD1-OG 2.85Å | ||
| 180 | T | 81.1 | Confident | 89.2 | Confident | 32 Ų | 32 | 23 Ų | 23 | 20% | 0.196 | 11% | 0.11 | C | C | . | . | trans | -120 | 25.6 | 179.5 | 77 | 0 | 0 | 0 | 0 | 112.1 | M177 Y183 G232 K234 | M177-T180 HydrophobicContact CB-CG2 4.09Å; M177-T180 HydrophobicContact CG-CG2 3.96Å; M177-T180 HydrophobicContact SD-CG2 4Å; T180-Y183 CarbonylContact C-O 3.59Å; T180-Y183 VanDerWaalsContact CA-O 3.23Å; T180-Y183 WeakPolarHBondContact CA-O 3.5Å; T180-Y183 VanDerWaalsContact CB-O 3.25Å; T180-Y183 WeakPolarHBondContact CB-O 3.49Å; T180-G232 PolarHBondContact OG1-O 3.01Å; T180-K234 HydrophobicContact CG2-CB 3.52Å | ||
| 181 | S | 77.8 | Confident | 89.1 | Confident | 28 Ų | 28 | 18.3 Ų | 18.3 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -60.4 | -53.9 | 179.1 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | S15 N60 D179 | S15-S181 WeakPolarHBondContact CB-OG 3.25Å; S15-S181 WeakPolarHBondContact O-CB 3.35Å; S15-S181 PolarHBondContact O-OG 3.3Å; S15-S181 PolarHBondContact OG-OG 2.94Å; S15-S181 VanDerWaalsContact OG-OG 3.13Å; N60-S181 PolarHBondContact ND2-O 2.98Å; D179-S181 WeakPolarHBondContact OD1-CB 3.4Å; D179-S181 PolarHBondContact OD1-N 2.79Å; D179-S181 PolarHBondContact OD1-OG 2.85Å |
| 182 | I | 74.3 | Confident | 89 | Confident | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -113.5 | -1.9 | 171.9 | 58 | 169.6 | 0 | 0 | 0 | 113.6 | S15 L59 Y83 Y109 L261 Q262 | S15-I182 VanDerWaalsContact O-CG2 3.27Å; S15-I182 WeakPolarHBondContact O-CG2 3.34Å; L59-I182 HydrophobicContact CB-CG2 3.78Å; L59-I182 HydrophobicContact CD1-CD1 4.14Å; L59-I182 HydrophobicContact CD1-CG2 3.87Å; L59-I182 HydrophobicContact CG-CG2 4.46Å; Y83-I182 HydrophobicContact CE2-CD1 4.43Å; Y109-I182 HydrophobicContact CD1-CD1 3.76Å; Y109-I182 HydrophobicContact CD2-CD1 4.37Å; Y109-I182 HydrophobicContact CE1-CD1 3.61Å; Y109-I182 HydrophobicContact CE2-CD1 4.26Å; Y109-I182 HydrophobicContact CG-CD1 4.14Å; I182-L261 HydrophobicContact CD1-CD1 4.14Å; I182-L261 HydrophobicContact CG1-CD1 4.45Å; I182-Q262 WeakPolarHBondContact O-CA 3.45Å; I182-Q262 PolarHBondContact O-N 3.05Å |
| 183 | Y | 82.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 18.4 Ų | 18.4 | 2% | 0.02 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.6 | -176.1 | -59.4 | -66.7 | 0 | 0 | 0 | 111.9 | Y109 M111 G143 P145 M177 T180 C260 L261 | Y109-Y183 WeakPolarHBondContact CD1-OH 3.34Å; M111-Y183 HydrophobicContact CE-CD1 4Å; M111-Y183 HydrophobicContact CE-CE1 4.26Å; M111-Y183 HydrophobicContact CG-CE1 4.47Å; M111-Y183 HydrophobicContact SD-CD1 3.75Å; M111-Y183 HydrophobicContact SD-CE1 3.39Å; M111-Y183 WeakPolarHBondContact SD-CE1 3.46Å; G143-Y183 PolarHBondContact O-OH 3.43Å; P145-Y183 HydrophobicContact CB-CD2 3.71Å; P145-Y183 HydrophobicContact CB-CE2 4.14Å; P145-Y183 HydrophobicContact CB-CG 4.07Å; P145-Y183 HydrophobicContact CG-CD1 4.09Å; P145-Y183 HydrophobicContact CG-CD2 3.86Å; P145-Y183 HydrophobicContact CG-CE1 4.41Å; P145-Y183 HydrophobicContact CG-CE2 4.18Å; P145-Y183 HydrophobicContact CG-CG 3.8Å; M177-Y183 VanDerWaalsContact SD-CB 3.58Å; T180-Y183 CarbonylContact C-O 3.59Å; T180-Y183 VanDerWaalsContact CA-O 3.23Å; T180-Y183 WeakPolarHBondContact CA-O 3.5Å; T180-Y183 VanDerWaalsContact CB-O 3.25Å; T180-Y183 WeakPolarHBondContact CB-O 3.49Å; Y183-C260 WeakPolarHBondContact CA-O 3.32Å; Y183-L261 HydrophobicContact CD1-CD1 4.17Å; Y183-L261 HydrophobicContact CE1-CD1 3.9Å |
| 184 | D | 86.1 | Confident | 88.5 | Confident | 18 Ų | 18 | 19 Ų | 19 | 10% | 0.096 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 168.6 | 166.9 | -162.3 | 9.8 | 0 | 0 | 0 | 109.4 | K234 P259 C260 Q262 N263 C264 | D184-K234 WeakPolarHBondContact OD1-CD 3.43Å; D184-K234 WeakPolarHBondContact OD1-CE 3.38Å; D184-K234 IonicContact OD1-NZ 3.23Å; D184-K234 PolarHBondContact OD1-NZ 2.79Å; D184-K234 IonicContact OD2-NZ 3.07Å; D184-P259 CarbonylContact O-C 3.6Å; D184-P259 WeakPolarHBondContact O-CA 3.46Å; D184-C260 HydrophobicContact CB-CB 4.44Å; D184-C260 PolarHBondContact N-O 2.56Å; D184-C260 PolarHBondContact O-N 2.91Å; D184-Q262 WeakPolarHBondContact CB-O 3.36Å; D184-N263 WeakPolarHBondContact OD2-CA 3.5Å; D184-C264 PolarHBondContact OD2-N 3.22Å |
| 185 | F | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 160.9 | 170.9 | 74.5 | -76.8 | 0 | 0 | 0 | 112.2 | L147 V175 M177 V187 K234 V236 V257 R258 P259 | L147-F185 HydrophobicContact CD2-CD2 4.4Å; L147-F185 HydrophobicContact CD2-CG 4.3Å; V175-F185 HydrophobicContact CB-CE2 4.21Å; V175-F185 HydrophobicContact CG1-CD2 4.47Å; V175-F185 HydrophobicContact CG1-CE2 3.67Å; V175-F185 HydrophobicContact CG1-CZ 4.32Å; V175-F185 WeakPolarHBondContact O-CZ 3.28Å; M177-F185 HydrophobicContact CB-CD1 3.43Å; M177-F185 VanDerWaalsContact CB-CD1 3.43Å; M177-F185 HydrophobicContact CB-CE1 3.3Å; M177-F185 HydrophobicContact CB-CG 4.45Å; M177-F185 HydrophobicContact CB-CZ 4.24Å; M177-F185 HydrophobicContact CE-CB 3.71Å; M177-F185 HydrophobicContact CE-CD1 3.83Å; M177-F185 HydrophobicContact CE-CG 4.04Å; M177-F185 HydrophobicContact CG-CD1 4.27Å; M177-F185 HydrophobicContact SD-CD1 3.89Å; F185-V187 HydrophobicContact CD2-CG2 4.01Å; F185-V187 HydrophobicContact CE2-CG2 3.72Å; F185-K234 HydrophobicContact CD1-CD 4.06Å; F185-K234 HydrophobicContact CE1-CB 3.88Å; F185-K234 HydrophobicContact CE1-CD 3.87Å; F185-K234 HydrophobicContact CE1-CG 3.89Å; F185-K234 WeakPolarHBondContact CE1-O 3.45Å; F185-K234 PolarHBondContact O-NZ 3.45Å; F185-V236 HydrophobicContact CD2-CG2 4.44Å; F185-V236 HydrophobicContact CE2-CB 4.06Å; F185-V236 HydrophobicContact CE2-CG2 3.7Å; F185-V236 HydrophobicContact CZ-CB 4.29Å; F185-V236 HydrophobicContact CZ-CG2 3.81Å; F185-V257 HydrophobicContact CB-CG1 4.28Å; F185-V257 HydrophobicContact CD2-CG1 3.73Å; F185-V257 HydrophobicContact CG-CG1 4.37Å; F185-R258 WeakPolarHBondContact CA-O 3.3Å; F185-P259 HydrophobicContact CB-CB 4.37Å |
| 186 | Y | 90.9 | Very high | 87.5 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.5 | 166 | 78 | -88.2 | 0 | 0 | 0 | 111 | H188 R258 C264 | Y186-H188 HydrophobicContact CD2-CB 4.38Å; Y186-H188 AromaticContact CD2-CD2 3.97Å; Y186-H188 HydrophobicContact CE2-CB 3.99Å; Y186-H188 AromaticContact CE2-CD2 3.26Å; Y186-H188 WeakPolarHBondContact CE2-CD2 3.29Å; Y186-H188 AromaticContact CE2-CG 3.82Å; Y186-H188 AromaticContact CZ-CD2 3.84Å; Y186-R258 HydrophobicContact CD1-CB 4.13Å; Y186-R258 HydrophobicContact CE1-CB 3.58Å; Y186-R258 HydrophobicContact CE1-CG 3.84Å; Y186-R258 PolarHBondContact N-O 2.04Å; Y186-R258 PolarHBondContact O-N 2.74Å; Y186-R258 WeakPolarHBondContact OH-CD 3.05Å; Y186-C264 HydrophobicContact CD1-CB 4.44Å |
| 187 | V | 93.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.2 | -176.6 | -174 | 0 | 0 | 0 | 0 | 109.5 | V175 F185 C190 I206 G210 V236 C255 V257 Q268 | V175-V187 HydrophobicContact CB-CG2 3.84Å; V175-V187 HydrophobicContact CG1-CG2 3.85Å; V175-V187 HydrophobicContact CG2-CG1 4.28Å; V175-V187 HydrophobicContact CG2-CG2 4Å; F185-V187 HydrophobicContact CD2-CG2 4.01Å; F185-V187 HydrophobicContact CE2-CG2 3.72Å; V187-C190 WeakPolarHBondContact CG1-SG 3.48Å; V187-I206 HydrophobicContact CG1-CD1 4.12Å; V187-G210 WeakPolarHBondContact O-CA 3.39Å; V187-V236 HydrophobicContact CB-CG1 4Å; V187-V236 HydrophobicContact CG2-CB 3.78Å; V187-V236 HydrophobicContact CG2-CG1 3.7Å; V187-V236 HydrophobicContact CG2-CG2 4.28Å; V187-C255 HydrophobicContact CG1-CB 4.06Å; V187-V257 HydrophobicContact CG1-CG2 4.38Å; V187-V257 HydrophobicContact CG2-CG2 4.23Å; V187-Q268 PolarHBondContact O-NE2 2.86Å |
| 188 | H | 93.4 | Very high | 86.8 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 168.2 | 177.9 | 65.2 | 99.3 | 0 | 0 | 0 | 111.6 | Y186 C190 Q256 | Y186-H188 HydrophobicContact CD2-CB 4.38Å; Y186-H188 AromaticContact CD2-CD2 3.97Å; Y186-H188 HydrophobicContact CE2-CB 3.99Å; Y186-H188 AromaticContact CE2-CD2 3.26Å; Y186-H188 WeakPolarHBondContact CE2-CD2 3.29Å; Y186-H188 AromaticContact CE2-CG 3.82Å; Y186-H188 AromaticContact CZ-CD2 3.84Å; H188-C190 VanDerWaalsContact C-N 3.33Å; H188-C190 PolarHBondContact O-N 2.96Å; H188-Q256 VanDerWaalsContact CE1-CB 3.49Å; H188-Q256 WeakPolarHBondContact CE1-CB 3.33Å; H188-Q256 PolarHBondContact N-O 2.88Å; H188-Q256 CarbonylContact O-C 3.35Å; H188-Q256 WeakPolarHBondContact O-CA 3.4Å; H188-Q256 WeakPolarHBondContact O-CB 3.34Å; H188-Q256 PolarHBondContact O-N 2.83Å |
| 189 | D | 93.8 | Very high | 86.8 | Confident | 67 Ų | 67 | 32.8 Ų | 32.8 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.4 | 50.4 | 175.8 | -65.2 | -62.8 | 0 | 0 | 0 | 113.1 | I206 D207 Q208 Q256 | D189-I206 CarbonylContact C-O 3.57Å; D189-I206 WeakPolarHBondContact CA-O 3.38Å; D189-I206 PolarHBondContact N-O 2.83Å; D189-D207 PolarHBondContact N-O 3.43Å; D189-Q208 VanDerWaalsContact OD1-CA 3.26Å; D189-Q208 WeakPolarHBondContact OD1-CA 3.41Å; D189-Q208 WeakPolarHBondContact OD1-CB 3.46Å; D189-Q208 PolarHBondContact OD1-N 3.39Å; D189-Q256 HydrophobicContact CB-CB 4.29Å; D189-Q256 HydrophobicContact CB-CG 4.02Å |
| 190 | C | 95.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 130.4 | 173.2 | -65 | 0 | 0 | 0 | 0 | 111.6 | V187 H188 I205 I206 Q254 C255 | V187-C190 WeakPolarHBondContact CG1-SG 3.48Å; H188-C190 VanDerWaalsContact C-N 3.33Å; H188-C190 PolarHBondContact O-N 2.96Å; C190-I205 HydrophobicContact CB-CB 4.13Å; C190-I205 PolarHBondContact O-N 3.46Å; C190-I206 HydrophobicContact CB-CB 3.68Å; C190-I206 HydrophobicContact CB-CD1 4.38Å; C190-I206 HydrophobicContact CB-CG1 3.91Å; C190-I206 PolarHBondContact N-O 3.48Å; C190-I206 PolarHBondContact O-N 3.32Å; C190-I206 VanDerWaalsContact O-N 3.12Å; C190-Q254 CarbonylContact C-O 3.52Å; C190-Q254 WeakPolarHBondContact CA-O 3.45Å; C190-C255 HydrophobicContact CB-CB 4.12Å; C190-C255 WeakPolarHBondContact CB-SG 3.49Å; C190-C255 WeakPolarHBondContact SG-CB 3.5Å; C190-C255 CovalentContact SG-SG 2.03Å; C190-C255 PolarHBondContact SG-SG 3.25Å |
| 191 | Y | 95.2 | Very high | 87.4 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 149.1 | 175.1 | 59.1 | -84.3 | 0 | 0 | 0 | 112.2 | H193 N197 I203 V253 Q254 | Y191-H193 AromaticContact CD2-CD2 3.83Å; Y191-H193 AromaticContact CE2-CD2 3.62Å; Y191-N197 VanDerWaalsContact CE2-OD1 3.29Å; Y191-N197 WeakPolarHBondContact CE2-OD1 3Å; Y191-N197 PolarHBondContact OH-ND2 3.02Å; Y191-I203 CarbonylContact C-O 3.56Å; Y191-I203 WeakPolarHBondContact CA-O 3.49Å; Y191-I203 WeakPolarHBondContact CB-O 3.39Å; Y191-V253 WeakPolarHBondContact O-CA 3.23Å; Y191-Q254 HydrophobicContact CE1-CB 4.11Å; Y191-Q254 HydrophobicContact CE2-CB 4.12Å; Y191-Q254 HydrophobicContact CE2-CG 4.42Å; Y191-Q254 PolarHBondContact N-O 3.09Å; Y191-Q254 PolarHBondContact O-N 2.86Å; Y191-Q254 PolarHBondContact OH-OE1 2.99Å |
| 192 | A | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S202 I203 I205 F243 F245 V251 Y252 V253 | A192-S202 CarbonylContact O-C 3.54Å; A192-S202 VanDerWaalsContact O-CA 3.3Å; A192-S202 WeakPolarHBondContact O-CA 3.43Å; A192-I203 PolarHBondContact N-O 2.9Å; A192-I203 PolarHBondContact O-N 2.99Å; A192-I205 HydrophobicContact CB-CD1 3.86Å; A192-I205 HydrophobicContact CB-CG1 4.49Å; A192-F243 HydrophobicContact CB-CE2 4.04Å; A192-F243 HydrophobicContact CB-CZ 3.62Å; A192-F245 HydrophobicContact CB-CZ 4.4Å; A192-V251 HydrophobicContact CB-CG1 3.85Å; A192-Y252 CarbonylContact C-O 3.52Å; A192-Y252 WeakPolarHBondContact CA-O 3.31Å; A192-V253 HydrophobicContact CB-CG2 4.33Å |
| 193 | H | 93.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 167.4 | 173.4 | 66.1 | 97.3 | 0 | 0 | 0 | 112.5 | Y191 G195 N197 T201 Y252 Q254 | Y191-H193 AromaticContact CD2-CD2 3.83Å; Y191-H193 AromaticContact CE2-CD2 3.62Å; H193-G195 VanDerWaalsContact C-N 3.27Å; H193-G195 WeakPolarHBondContact ND1-CA 3.05Å; H193-G195 PolarHBondContact ND1-N 2.79Å; H193-G195 PolarHBondContact O-N 2.83Å; H193-N197 PolarHBondContact ND1-N 3.28Å; H193-T201 VanDerWaalsContact CA-O 3.29Å; H193-T201 WeakPolarHBondContact CA-O 3.39Å; H193-T201 WeakPolarHBondContact CB-O 3.21Å; H193-Y252 PolarHBondContact CD2-O 3.39Å; H193-Y252 PolarHBondContact N-O 3.01Å; H193-Y252 WeakPolarHBondContact NE2-CB 3.3Å; H193-Y252 PolarHBondContact O-N 2.98Å; H193-Q254 VanDerWaalsContact NE2-CD 3.34Å |
| 194 | D | 90.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -84.2 | 5 | -177.1 | 69 | -12.3 | 0 | 0 | 0 | 114.6 | T196 T201 F245 T247 | D194-T196 WeakPolarHBondContact OD1-CB 3.47Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.26Å; D194-T196 PolarHBondContact OD1-N 2.87Å; D194-T196 PolarHBondContact OD1-OG1 2.97Å; D194-T201 PolarHBondContact OD1-OG1 2.97Å; D194-F245 HydrophobicContact CB-CB 3.81Å; D194-F245 HydrophobicContact CB-CD2 3.73Å; D194-F245 HydrophobicContact CB-CE2 4.47Å; D194-F245 HydrophobicContact CB-CG 3.76Å; D194-T247 WeakPolarHBondContact CB-OG1 3.15Å; D194-T247 WeakPolarHBondContact OD2-CB 3.32Å; D194-T247 PolarHBondContact OD2-OG1 3.49Å |
| 195 | G | 86.8 | Confident | 89.9 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 101.7 | -15.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | H193 | H193-G195 VanDerWaalsContact C-N 3.27Å; H193-G195 WeakPolarHBondContact ND1-CA 3.05Å; H193-G195 PolarHBondContact ND1-N 2.79Å; H193-G195 PolarHBondContact O-N 2.83Å |
| 196 | T | 83.8 | Confident | 90.2 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 47% | 0.466 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -80.6 | -23.7 | 176.7 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | D194 I198 T201 | D194-T196 WeakPolarHBondContact OD1-CB 3.47Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.26Å; D194-T196 PolarHBondContact OD1-N 2.87Å; D194-T196 PolarHBondContact OD1-OG1 2.97Å; T196-I198 PolarHBondContact O-N 2.03Å; T196-T201 PolarHBondContact OG1-OG1 3.49Å |
| 197 | N | 78.4 | Confident | 90.3 | Very high | 78 Ų | 78 | 44.4 Ų | 44.4 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | trans | 54.4 | 37.6 | -177.7 | -157.8 | -0.5 | 0 | 0 | 0 | 113 | Y191 H193 | Y191-N197 VanDerWaalsContact CE2-OD1 3.29Å; Y191-N197 WeakPolarHBondContact CE2-OD1 3Å; Y191-N197 PolarHBondContact OH-ND2 3.02Å; H193-N197 PolarHBondContact ND1-N 3.28Å | ||
| 198 | I | 85.5 | Confident | 90.1 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 41% | 0.41 | 27% | 0.272 | S | S | . | . | trans | -96.2 | 142.9 | 175 | -56.9 | 171.2 | 0 | 0 | 0 | 107.7 | T196 E200 T201 S202 | T196-I198 PolarHBondContact O-N 2.03Å; I198-E200 HydrophobicContact CG2-CB 4.43Å; I198-E200 PolarHBondContact O-N 2.84Å; I198-E200 VanDerWaalsContact O-N 3.09Å; I198-T201 CarbonylContact O-C 3.58Å; I198-T201 PolarHBondContact O-N 2.83Å; I198-T201 PolarHBondContact O-OG1 2.83Å; I198-S202 PolarHBondContact O-N 3.15Å | ||
| 199 | P | 82.3 | Confident | 89.9 | Confident | 106 Ų | 106 | 50.7 Ų | 50.7 | 69% | 0.688 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -54.3 | -33.4 | -177.7 | -29.2 | 35.5 | 0 | 0 | 0 | 114.7 | T201 S202 | P199-T201 VanDerWaalsContact C-N 3.31Å; P199-T201 PolarHBondContact O-N 2.74Å; P199-S202 WeakPolarHBondContact CA-OG 3.46Å; P199-S202 PolarHBondContact O-N 2.69Å; P199-S202 PolarHBondContact O-OG 2.73Å |
| 200 | E | 82.4 | Confident | 89.8 | Confident | 183 Ų | 183 | 47.5 Ų | 47.5 | 86% | 0.855 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -68.3 | -27.3 | -178.8 | -65.6 | 163.2 | -174.2 | 0 | 0 | 113.5 | I198 | I198-E200 HydrophobicContact CG2-CB 4.43Å; I198-E200 PolarHBondContact O-N 2.84Å; I198-E200 VanDerWaalsContact O-N 3.09Å |
| 201 | T | 86.1 | Confident | 89.7 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -110.4 | 24.5 | 176.6 | 53.4 | 0 | 0 | 0 | 0 | 111 | H193 D194 T196 I198 P199 F245 | H193-T201 VanDerWaalsContact CA-O 3.29Å; H193-T201 WeakPolarHBondContact CA-O 3.39Å; H193-T201 WeakPolarHBondContact CB-O 3.21Å; D194-T201 PolarHBondContact OD1-OG1 2.97Å; T196-T201 PolarHBondContact OG1-OG1 3.49Å; I198-T201 CarbonylContact O-C 3.58Å; I198-T201 PolarHBondContact O-N 2.83Å; I198-T201 PolarHBondContact O-OG1 2.83Å; P199-T201 VanDerWaalsContact C-N 3.31Å; P199-T201 PolarHBondContact O-N 2.74Å; T201-F245 WeakPolarHBondContact O-CE1 3.47Å; T201-F245 WeakPolarHBondContact O-CZ 3.27Å |
| 202 | S | 90.4 | Very high | 89.6 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.8 | 177.2 | 78.4 | 0 | 0 | 0 | 0 | 111.2 | A192 I198 P199 | A192-S202 CarbonylContact O-C 3.54Å; A192-S202 VanDerWaalsContact O-CA 3.3Å; A192-S202 WeakPolarHBondContact O-CA 3.43Å; I198-S202 PolarHBondContact O-N 3.15Å; P199-S202 WeakPolarHBondContact CA-OG 3.46Å; P199-S202 PolarHBondContact O-N 2.69Å; P199-S202 PolarHBondContact O-OG 2.73Å |
| 203 | I | 92.4 | Very high | 89.5 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.4 | -179.8 | -65.8 | 173.7 | 0 | 0 | 0 | 108.3 | Y191 A192 L215 F243 F245 | Y191-I203 CarbonylContact C-O 3.56Å; Y191-I203 WeakPolarHBondContact CA-O 3.49Å; Y191-I203 WeakPolarHBondContact CB-O 3.39Å; A192-I203 PolarHBondContact N-O 2.9Å; A192-I203 PolarHBondContact O-N 2.99Å; I203-L215 HydrophobicContact CD1-CD2 4.29Å; I203-L215 HydrophobicContact CG2-CD2 3.41Å; I203-L215 VanDerWaalsContact CG2-CD2 3.41Å; I203-F243 HydrophobicContact CD1-CD2 4.49Å; I203-F243 HydrophobicContact CD1-CE2 4.1Å; I203-F245 HydrophobicContact CD1-CE1 3.62Å; I203-F245 HydrophobicContact CD1-CZ 3.81Å; I203-F245 HydrophobicContact CG1-CE1 3.93Å; I203-F245 HydrophobicContact CG1-CZ 4.1Å |
| 204 | S | 94.1 | Very high | 89.4 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 128.1 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | T213 | S204-T213 PolarHBondContact OG-OG1 3.06Å; S204-T213 VanDerWaalsContact OG-OG1 3.05Å |
| 205 | I | 95.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -46.4 | 174.4 | -59.9 | 169.1 | 0 | 0 | 0 | 109.8 | L173 C190 A192 A212 T213 V219 V238 M240 V253 | L173-I205 HydrophobicContact CD2-CG2 4.45Å; C190-I205 HydrophobicContact CB-CB 4.13Å; C190-I205 PolarHBondContact O-N 3.46Å; A192-I205 HydrophobicContact CB-CD1 3.86Å; A192-I205 HydrophobicContact CB-CG1 4.49Å; I205-A212 CarbonylContact O-C 3.56Å; I205-A212 VanDerWaalsContact O-CA 3.3Å; I205-A212 WeakPolarHBondContact O-CA 3.03Å; I205-T213 PolarHBondContact O-N 2.05Å; I205-V219 HydrophobicContact CG1-CG2 4.22Å; I205-V219 HydrophobicContact CG2-CG1 4.04Å; I205-V219 HydrophobicContact CG2-CG2 4.35Å; I205-V238 HydrophobicContact CG2-CG1 4.25Å; I205-M240 HydrophobicContact CD1-SD 3.95Å; I205-M240 HydrophobicContact CG2-SD 4.01Å; I205-V253 HydrophobicContact CD1-CG1 3.84Å; I205-V253 HydrophobicContact CD1-CG2 4.28Å |
| 206 | I | 95.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.9 | 174.4 | -55.7 | -175.5 | 0 | 0 | 0 | 107.2 | V187 D189 C190 G210 C211 V238 | V187-I206 HydrophobicContact CG1-CD1 4.12Å; D189-I206 CarbonylContact C-O 3.57Å; D189-I206 WeakPolarHBondContact CA-O 3.38Å; D189-I206 PolarHBondContact N-O 2.83Å; C190-I206 HydrophobicContact CB-CB 3.68Å; C190-I206 HydrophobicContact CB-CD1 4.38Å; C190-I206 HydrophobicContact CB-CG1 3.91Å; C190-I206 PolarHBondContact N-O 3.48Å; C190-I206 PolarHBondContact O-N 3.32Å; C190-I206 VanDerWaalsContact O-N 3.12Å; I206-G210 VanDerWaalsContact CG2-C 3.44Å; I206-C211 WeakPolarHBondContact CA-O 3.08Å; I206-V238 HydrophobicContact CD1-CG2 3.72Å; I206-V238 HydrophobicContact CG1-CG2 3.96Å |
| 207 | D | 92.8 | Very high | 90 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -76.8 | 176.6 | 179.6 | 65.3 | 18.8 | 0 | 0 | 0 | 112.9 | D189 D209 G210 C211 | D189-D207 PolarHBondContact N-O 3.43Å; D207-D209 PolarHBondContact O-N 2.87Å; D207-D209 WeakPolarHBondContact OD1-CA 3.45Å; D207-D209 WeakPolarHBondContact OD1-CB 3.03Å; D207-D209 PolarHBondContact OD1-N 3.14Å; D207-G210 PolarHBondContact O-N 2.9Å; D207-G210 VanDerWaalsContact O-N 3.09Å; D207-G210 PolarHBondContact OD1-N 2.86Å; D207-C211 PolarHBondContact N-O 2.87Å; D207-C211 PolarHBondContact OD1-N 3.11Å | ||
| 208 | Q | 90.8 | Very high | 90.7 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.9 | 171.9 | 71.9 | -172.8 | -3.1 | 0 | 0 | 113.5 | D189 R266 | D189-Q208 VanDerWaalsContact OD1-CA 3.26Å; D189-Q208 WeakPolarHBondContact OD1-CA 3.41Å; D189-Q208 WeakPolarHBondContact OD1-CB 3.46Å; D189-Q208 PolarHBondContact OD1-N 3.39Å; Q208-R266 PolarHBondContact O-NH1 2.46Å |
| 209 | D | 88.7 | Confident | 91.1 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -2.5 | -175.5 | -71 | -51.2 | 0 | 0 | 0 | 113.6 | D207 C211 R266 | D207-D209 PolarHBondContact O-N 2.87Å; D207-D209 WeakPolarHBondContact OD1-CA 3.45Å; D207-D209 WeakPolarHBondContact OD1-CB 3.03Å; D207-D209 PolarHBondContact OD1-N 3.14Å; D209-C211 VanDerWaalsContact C-N 3.32Å; D209-R266 VanDerWaalsContact CB-NH2 3.3Å; D209-R266 PolarHBondContact O-NH2 3.48Å; D209-R266 IonicContact OD1-CZ 3.79Å; D209-R266 IonicContact OD1-NH1 2.83Å; D209-R266 IonicContact OD1-NH2 3.61Å; D209-R266 PolarHBondContact OD1-NH2 2.91Å |
| 210 | G | 91 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 79.6 | 13.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | V187 I206 D207 Q268 | V187-G210 WeakPolarHBondContact O-CA 3.39Å; I206-G210 VanDerWaalsContact CG2-C 3.44Å; D207-G210 PolarHBondContact O-N 2.9Å; D207-G210 VanDerWaalsContact O-N 3.09Å; D207-G210 PolarHBondContact OD1-N 2.86Å; G210-Q268 PolarHBondContact O-NE2 3.49Å |
| 211 | C | 93.5 | Very high | 92.1 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 14% | 0.142 | 28% | 0.279 | C | S | . | . | trans | -96.4 | 133.2 | 178.6 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | I206 D207 D209 T213 C269 | I206-C211 WeakPolarHBondContact CA-O 3.08Å; D207-C211 PolarHBondContact N-O 2.87Å; D207-C211 PolarHBondContact OD1-N 3.11Å; D209-C211 VanDerWaalsContact C-N 3.32Å; C211-T213 PolarHBondContact O-N 2.82Å; C211-C269 HydrophobicContact CB-CB 3.99Å; C211-C269 WeakPolarHBondContact CB-SG 3.42Å; C211-C269 VanDerWaalsContact SG-CA 3.52Å; C211-C269 WeakPolarHBondContact SG-CB 3.19Å; C211-C269 CovalentContact SG-SG 2.05Å; C211-C269 PolarHBondContact SG-SG 2.93Å | ||
| 212 | A | 93.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -61.1 | 133.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I205 V221 A223 V238 | I205-A212 CarbonylContact O-C 3.56Å; I205-A212 VanDerWaalsContact O-CA 3.3Å; I205-A212 WeakPolarHBondContact O-CA 3.03Å; A212-V221 HydrophobicContact CB-CG1 3.98Å; A212-V221 VanDerWaalsContact O-CG1 3.24Å; A212-V221 WeakPolarHBondContact O-CG1 3.41Å; A212-A223 HydrophobicContact CB-CB 4.14Å; A212-V238 HydrophobicContact CB-CG1 4.25Å; A212-V238 HydrophobicContact CB-CG2 4.11Å |
| 213 | T | 92.2 | Very high | 92.5 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -91 | 114.9 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 108.6 | S204 I205 C211 L215 V219 | S204-T213 PolarHBondContact OG-OG1 3.06Å; S204-T213 VanDerWaalsContact OG-OG1 3.05Å; I205-T213 PolarHBondContact O-N 2.05Å; C211-T213 PolarHBondContact O-N 2.82Å; T213-L215 PolarHBondContact O-N 2.88Å; T213-V219 WeakPolarHBondContact O-CG1 3.39Å | ||
| 214 | Q | 91.7 | Very high | 92.6 | Very high | 137 Ų | 137 | 53.8 Ų | 53.8 | 64% | 0.64 | 29% | 0.286 | S | S | * | . | trans | -64.5 | 123.7 | -179.7 | -170.7 | 172.3 | 5.8 | 0 | 0 | 110.8 | V221 | Q214-V221 HydrophobicContact CB-CG1 3.67Å; Q214-V221 HydrophobicContact CB-CG2 4.34Å; Q214-V221 HydrophobicContact CG-CG1 4.42Å; Q214-V221 HydrophobicContact CG-CG2 4.42Å | ||
| 215 | L | 91.8 | Very high | 92.5 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -128.4 | 112.9 | 171.4 | -174.6 | 63.4 | 0 | 0 | 0 | 109.2 | I203 T213 R217 A218 V219 | I203-L215 HydrophobicContact CD1-CD2 4.29Å; I203-L215 HydrophobicContact CG2-CD2 3.41Å; I203-L215 VanDerWaalsContact CG2-CD2 3.41Å; T213-L215 PolarHBondContact O-N 2.88Å; L215-R217 PolarHBondContact O-N 3.1Å; L215-A218 HydrophobicContact CB-CB 4.18Å; L215-A218 HydrophobicContact CD2-CB 3.64Å; L215-A218 HydrophobicContact CG-CB 3.85Å; L215-A218 PolarHBondContact O-N 3.4Å; L215-V219 HydrophobicContact CB-CB 4.07Å; L215-V219 HydrophobicContact CB-CG2 4.22Å; L215-V219 PolarHBondContact N-O 2.86Å; L215-V219 PolarHBondContact O-N 2.99Å |
| 216 | S | 90.5 | Very high | 92.3 | Very high | 103 Ų | 103 | 56.9 Ų | 56.9 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 124.8 | -176.5 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | A218 | S216-A218 VanDerWaalsContact C-N 3.27Å; S216-A218 PolarHBondContact O-N 2.68Å |
| 217 | R | 90.3 | Very high | 92 | Very high | 231 Ų | 231 | 60.2 Ų | 60.2 | 87% | 0.872 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 9.8 | -178.8 | -48.7 | 177.9 | 171.6 | -142 | -1.8 | 116.1 | L215 Y241 | L215-R217 PolarHBondContact O-N 3.1Å; R217-Y241 WeakPolarHBondContact O-CB 3.34Å |
| 218 | A | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | -44.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L215 S216 M240 Y241 F243 | L215-A218 HydrophobicContact CB-CB 4.18Å; L215-A218 HydrophobicContact CD2-CB 3.64Å; L215-A218 HydrophobicContact CG-CB 3.85Å; L215-A218 PolarHBondContact O-N 3.4Å; S216-A218 VanDerWaalsContact C-N 3.27Å; S216-A218 PolarHBondContact O-N 2.68Å; A218-M240 CarbonylContact O-C 3.47Å; A218-M240 WeakPolarHBondContact O-CA 3.48Å; A218-M240 VanDerWaalsContact O-CB 3.3Å; A218-M240 WeakPolarHBondContact O-CB 3.46Å; A218-Y241 PolarHBondContact O-N 2.84Å; A218-F243 HydrophobicContact CB-CD1 3.84Å; A218-F243 HydrophobicContact CB-CE1 4.39Å; A218-F243 HydrophobicContact CB-CG 4.37Å |
| 219 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -136.2 | 124.7 | -176.2 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | I205 T213 L215 V238 M240 | I205-V219 HydrophobicContact CG1-CG2 4.22Å; I205-V219 HydrophobicContact CG2-CG1 4.04Å; I205-V219 HydrophobicContact CG2-CG2 4.35Å; T213-V219 WeakPolarHBondContact O-CG1 3.39Å; L215-V219 HydrophobicContact CB-CB 4.07Å; L215-V219 HydrophobicContact CB-CG2 4.22Å; L215-V219 PolarHBondContact N-O 2.86Å; L215-V219 PolarHBondContact O-N 2.99Å; V219-V238 HydrophobicContact CG1-CG1 3.73Å; V219-M240 HydrophobicContact CG2-CG 4.37Å |
| 220 | D | 93 | Very high | 90.6 | Very high | 49 Ų | 49 | 64.7 Ų | 64.7 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | trans | -91 | 159.5 | 174.6 | -72.3 | -25.3 | 0 | 0 | 0 | 111.7 | H155 H239 Y241 | H155-D220 IonicContact CE1-OD2 3.28Å; D220-H239 HydrophobicContact CB-CB 4.08Å; D220-H239 PolarHBondContact N-O 2.89Å; D220-Y241 WeakPolarHBondContact OD2-CE2 3.49Å; D220-Y241 PolarHBondContact OD2-OH 2.9Å | ||
| 221 | V | 91.1 | Very high | 90.2 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -118.4 | 149.4 | 173.7 | -66 | 0 | 0 | 0 | 0 | 110 | A212 Q214 | A212-V221 HydrophobicContact CB-CG1 3.98Å; A212-V221 VanDerWaalsContact O-CG1 3.24Å; A212-V221 WeakPolarHBondContact O-CG1 3.41Å; Q214-V221 HydrophobicContact CB-CG1 3.67Å; Q214-V221 HydrophobicContact CB-CG2 4.34Å; Q214-V221 HydrophobicContact CG-CG1 4.42Å; Q214-V221 HydrophobicContact CG-CG2 4.42Å |
| 222 | P | 92.8 | Very high | 89.7 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | cis | -86.8 | -177.7 | 0.3 | 37.3 | -37.6 | 0 | 0 | 0 | 113.7 | F224 | P222-F224 HydrophobicContact CG-CD1 4.42Å; P222-F224 HydrophobicContact CG-CE1 3.94Å; P222-F224 HydrophobicContact CG-CZ 4.04Å; P222-F224 WeakPolarHBondContact O-CD2 3.15Å; P222-F224 VanDerWaalsContact O-CE2 3.25Å; P222-F224 WeakPolarHBondContact O-CE2 3.25Å | ||
| 223 | A | 92.6 | Very high | 89.5 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 12% | 0.116 | 40% | 0.401 | C | S | . | . | trans | -75.5 | 137.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | A212 V238 Q268 | A212-A223 HydrophobicContact CB-CB 4.14Å; A223-V238 HydrophobicContact CB-CG2 3.7Å; A223-Q268 HydrophobicContact CB-CG 4.32Å | ||
| 224 | F | 93.9 | Very high | 89.5 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 153.2 | -177.8 | -60.3 | -83.1 | 0 | 0 | 0 | 110.8 | P222 V236 Y237 H239 | P222-F224 HydrophobicContact CG-CD1 4.42Å; P222-F224 HydrophobicContact CG-CE1 3.94Å; P222-F224 HydrophobicContact CG-CZ 4.04Å; P222-F224 WeakPolarHBondContact O-CD2 3.15Å; P222-F224 VanDerWaalsContact O-CE2 3.25Å; P222-F224 WeakPolarHBondContact O-CE2 3.25Å; F224-V236 WeakPolarHBondContact O-CA 3.43Å; F224-Y237 HydrophobicContact CB-CD1 4.02Å; F224-Y237 HydrophobicContact CB-CD2 4.03Å; F224-Y237 HydrophobicContact CB-CE1 3.54Å; F224-Y237 HydrophobicContact CB-CE2 3.57Å; F224-Y237 HydrophobicContact CB-CG 4.25Å; F224-Y237 HydrophobicContact CD2-CD2 4.16Å; F224-Y237 AromaticContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CG-CD2 4.48Å; F224-Y237 AromaticContact CG-CE2 3.85Å; F224-Y237 HydrophobicContact CG-CE2 3.85Å; F224-Y237 AromaticContact CG-CZ 3.92Å; F224-Y237 PolarHBondContact N-O 2.93Å; F224-Y237 PolarHBondContact O-N 3.05Å; F224-H239 AromaticContact CD2-CE1 3.99Å; F224-H239 AromaticContact CE2-CE1 3.5Å; F224-H239 VanDerWaalsContact CE2-CE1 3.5Å; F224-H239 WeakPolarHBondContact CE2-CE1 2.98Å; F224-H239 AromaticContact CE2-ND1 3.52Å |
| 225 | T | 92.9 | Very high | 89.6 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.8 | 173.4 | -56.5 | 0 | 0 | 0 | 0 | 109 | K234 H235 V236 Q268 | T225-K234 HydrophobicContact CG2-CD 4.46Å; T225-K234 HydrophobicContact CG2-CG 4.33Å; T225-H235 VanDerWaalsContact CA-O 3.32Å; T225-H235 WeakPolarHBondContact CA-O 2.92Å; T225-V236 HydrophobicContact CG2-CG2 4.31Å; T225-Q268 WeakPolarHBondContact OG1-CB 3.35Å |
| 226 | T | 91.8 | Very high | 89.8 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154.8 | 175.9 | -167 | 0 | 0 | 0 | 0 | 110.3 | I157 H235 Y237 | I157-T226 HydrophobicContact CD1-CG2 3.61Å; T226-H235 HydrophobicContact CG2-CB 3.89Å; T226-H235 PolarHBondContact N-O 3.02Å; T226-H235 PolarHBondContact O-N 3.47Å; T226-Y237 HydrophobicContact CG2-CD1 4.43Å; T226-Y237 HydrophobicContact CG2-CE1 3.72Å |
| 227 | T | 89.5 | Confident | 90.1 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.5 | 176.4 | -54.1 | 0 | 0 | 0 | 0 | 108.3 | A229 G232 A233 | T227-A229 PolarHBondContact O-N 3.47Å; T227-G232 VanDerWaalsContact CG2-O 3.27Å; T227-G232 WeakPolarHBondContact CG2-O 3.41Å; T227-A233 CarbonylContact C-O 3.52Å; T227-A233 WeakPolarHBondContact CA-O 3.11Å |
| 228 | H | 84.5 | Confident | 90.4 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 31% | 0.306 | 28% | 0.279 | S | S | . | . | trans | -76.1 | 117.2 | -176.9 | -163.3 | -86 | 0 | 0 | 0 | 110 | S230 T231 G232 A233 | H228-S230 VanDerWaalsContact C-N 3.27Å; H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact ND1-OG 2.91Å; H228-S230 PolarHBondContact O-N 2.97Å; H228-S230 VanDerWaalsContact O-N 3.15Å; H228-T231 WeakPolarHBondContact CB-OG1 3.23Å; H228-T231 PolarHBondContact ND1-OG1 2.9Å; H228-T231 PolarHBondContact O-N 2.55Å; H228-G232 WeakPolarHBondContact O-CA 3.27Å; H228-G232 PolarHBondContact O-N 3Å; H228-A233 PolarHBondContact N-O 2.83Å | ||
| 229 | A | 77.7 | Confident | 90.5 | Very high | 107 Ų | 107 | 45.8 Ų | 45.8 | 88% | 0.884 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T227 | T227-A229 PolarHBondContact O-N 3.47Š|
| 230 | S | 79.6 | Confident | 90.6 | Very high | 99 Ų | 99 | 46 Ų | 46 | 69% | 0.692 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -29.5 | -176.6 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | H228 | H228-S230 VanDerWaalsContact C-N 3.27Å; H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact ND1-OG 2.91Å; H228-S230 PolarHBondContact O-N 2.97Å; H228-S230 VanDerWaalsContact O-N 3.15Å |
| 231 | T | 82.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 54% | 0.54 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -13.5 | -175.6 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | H228 A233 | H228-T231 WeakPolarHBondContact CB-OG1 3.23Å; H228-T231 PolarHBondContact ND1-OG1 2.9Å; H228-T231 PolarHBondContact O-N 2.55Å; T231-A233 PolarHBondContact O-N 2.85Å; T231-A233 WeakPolarHBondContact OG1-CB 3.27Å; T231-A233 PolarHBondContact OG1-N 3.1Å |
| 232 | G | 84 | Confident | 90.8 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | trans | 73.8 | -8.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T180 T227 H228 K234 | T180-G232 PolarHBondContact OG1-O 3.01Å; T227-G232 VanDerWaalsContact CG2-O 3.27Å; T227-G232 WeakPolarHBondContact CG2-O 3.41Å; H228-G232 WeakPolarHBondContact O-CA 3.27Å; H228-G232 PolarHBondContact O-N 3Å; G232-K234 PolarHBondContact O-N 3.43Å | ||
| 233 | A | 88.3 | Confident | 90.8 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | trans | -61.3 | 125.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I176 M177 E178 T227 H228 T231 H235 | I176-A233 HydrophobicContact CG2-CB 4.31Å; M177-A233 CarbonylContact O-C 3.46Å; M177-A233 WeakPolarHBondContact O-CA 3.47Å; E178-A233 WeakPolarHBondContact O-CA 3.48Å; E178-A233 PolarHBondContact O-N 2.84Å; T227-A233 CarbonylContact C-O 3.52Å; T227-A233 WeakPolarHBondContact CA-O 3.11Å; H228-A233 PolarHBondContact N-O 2.83Å; T231-A233 PolarHBondContact O-N 2.85Å; T231-A233 WeakPolarHBondContact OG1-CB 3.27Å; T231-A233 PolarHBondContact OG1-N 3.1Å; A233-H235 PolarHBondContact O-CD2 3.02Å | ||
| 234 | K | 92.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135 | 173.3 | -177.6 | -173.4 | -178.1 | -169.2 | 0 | 109.8 | I176 M177 T180 D184 F185 T225 G232 | I176-K234 WeakPolarHBondContact CA-O 3.11Å; M177-K234 PolarHBondContact N-O 3.47Å; M177-K234 PolarHBondContact O-N 2.91Å; T180-K234 HydrophobicContact CG2-CB 3.52Å; D184-K234 WeakPolarHBondContact OD1-CD 3.43Å; D184-K234 WeakPolarHBondContact OD1-CE 3.38Å; D184-K234 IonicContact OD1-NZ 3.23Å; D184-K234 PolarHBondContact OD1-NZ 2.79Å; D184-K234 IonicContact OD2-NZ 3.07Å; F185-K234 HydrophobicContact CD1-CD 4.06Å; F185-K234 HydrophobicContact CE1-CB 3.88Å; F185-K234 HydrophobicContact CE1-CD 3.87Å; F185-K234 HydrophobicContact CE1-CG 3.89Å; F185-K234 WeakPolarHBondContact CE1-O 3.45Å; F185-K234 PolarHBondContact O-NZ 3.45Å; T225-K234 HydrophobicContact CG2-CD 4.46Å; T225-K234 HydrophobicContact CG2-CG 4.33Å; G232-K234 PolarHBondContact O-N 3.43Å |
| 235 | H | 94.5 | Very high | 90.6 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.06 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.4 | 179.6 | -65.6 | -102.6 | 0 | 0 | 0 | 109.8 | I157 D174 V175 T225 T226 A233 Y237 | I157-H235 HydrophobicContact CG2-CB 4.08Å; D174-H235 WeakPolarHBondContact OD1-CB 2.81Å; D174-H235 IonicContact OD1-CG 2.73Å; D174-H235 IonicContact OD1-ND1 3.73Å; D174-H235 PolarHBondContact OD1-ND1 3.06Å; D174-H235 IonicContact OD2-CE1 3.35Å; D174-H235 IonicContact OD2-ND1 2.69Å; D174-H235 PolarHBondContact OD2-ND1 3.26Å; V175-H235 WeakPolarHBondContact O-CA 3.16Å; T225-H235 VanDerWaalsContact CA-O 3.32Å; T225-H235 WeakPolarHBondContact CA-O 2.92Å; T226-H235 HydrophobicContact CG2-CB 3.89Å; T226-H235 PolarHBondContact N-O 3.02Å; T226-H235 PolarHBondContact O-N 3.47Å; A233-H235 PolarHBondContact O-CD2 3.02Å; H235-Y237 HydrophobicContact CB-CD1 4.21Å |
| 236 | V | 95.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116 | 166.5 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | V175 F185 V187 F224 T225 Q268 | V175-V236 PolarHBondContact N-O 3.02Å; V175-V236 PolarHBondContact O-N 3.36Å; F185-V236 HydrophobicContact CD2-CG2 4.44Å; F185-V236 HydrophobicContact CE2-CB 4.06Å; F185-V236 HydrophobicContact CE2-CG2 3.7Å; F185-V236 HydrophobicContact CZ-CB 4.29Å; F185-V236 HydrophobicContact CZ-CG2 3.81Å; V187-V236 HydrophobicContact CB-CG1 4Å; V187-V236 HydrophobicContact CG2-CB 3.78Å; V187-V236 HydrophobicContact CG2-CG1 3.7Å; V187-V236 HydrophobicContact CG2-CG2 4.28Å; F224-V236 WeakPolarHBondContact O-CA 3.43Å; T225-V236 HydrophobicContact CG2-CG2 4.31Å; V236-Q268 HydrophobicContact CG1-CG 3.99Å |
| 237 | Y | 96.1 | Very high | 90.1 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.1 | -169.3 | 67.3 | -85.2 | 0 | 0 | 0 | 114 | I157 T172 L173 F224 T226 H235 H239 | I157-Y237 HydrophobicContact CG2-CD1 3.49Å; I157-Y237 VanDerWaalsContact CG2-CD1 3.49Å; I157-Y237 HydrophobicContact CG2-CD2 4.3Å; I157-Y237 HydrophobicContact CG2-CE1 3.74Å; I157-Y237 HydrophobicContact CG2-CE2 4.48Å; I157-Y237 HydrophobicContact CG2-CG 3.8Å; T172-Y237 HydrophobicContact CG2-CD2 3.7Å; T172-Y237 HydrophobicContact CG2-CG 4.1Å; L173-Y237 CarbonylContact O-C 3.46Å; L173-Y237 WeakPolarHBondContact O-CA 3.25Å; L173-Y237 WeakPolarHBondContact O-CB 3.06Å; F224-Y237 HydrophobicContact CB-CD1 4.02Å; F224-Y237 HydrophobicContact CB-CD2 4.03Å; F224-Y237 HydrophobicContact CB-CE1 3.54Å; F224-Y237 HydrophobicContact CB-CE2 3.57Å; F224-Y237 HydrophobicContact CB-CG 4.25Å; F224-Y237 HydrophobicContact CD2-CD2 4.16Å; F224-Y237 AromaticContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CD2-CE2 3.76Å; F224-Y237 HydrophobicContact CG-CD2 4.48Å; F224-Y237 AromaticContact CG-CE2 3.85Å; F224-Y237 HydrophobicContact CG-CE2 3.85Å; F224-Y237 AromaticContact CG-CZ 3.92Å; F224-Y237 PolarHBondContact N-O 2.93Å; F224-Y237 PolarHBondContact O-N 3.05Å; T226-Y237 HydrophobicContact CG2-CD1 4.43Å; T226-Y237 HydrophobicContact CG2-CE1 3.72Å; H235-Y237 HydrophobicContact CB-CD1 4.21Å; Y237-H239 AromaticContact CD2-NE2 3.94Å; Y237-H239 AromaticContact CE2-NE2 3.53Å |
| 238 | V | 96.7 | Very high | 90 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.8 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | T172 L173 I205 I206 A212 V219 A223 M240 | T172-V238 WeakPolarHBondContact CA-O 3.37Å; L173-V238 PolarHBondContact N-O 2.99Å; L173-V238 PolarHBondContact O-N 3.09Å; I205-V238 HydrophobicContact CG2-CG1 4.25Å; I206-V238 HydrophobicContact CD1-CG2 3.72Å; I206-V238 HydrophobicContact CG1-CG2 3.96Å; A212-V238 HydrophobicContact CB-CG1 4.25Å; A212-V238 HydrophobicContact CB-CG2 4.11Å; V219-V238 HydrophobicContact CG1-CG1 3.73Å; A223-V238 HydrophobicContact CB-CG2 3.7Å; V238-M240 HydrophobicContact CG1-CG 4.26Å |
| 239 | H | 97 | Very high | 90.2 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 130.7 | 174.3 | -62 | 152.2 | 0 | 0 | 0 | 110.3 | H155 G156 D220 F224 Y237 | H155-H239 AromaticContact CD2-CG 3.95Å; H155-H239 AromaticContact CG-CD2 3.97Å; H155-H239 AromaticContact CG-CG 3.79Å; G156-H239 PolarHBondContact N-NE2 2.61Å; D220-H239 HydrophobicContact CB-CB 4.08Å; D220-H239 PolarHBondContact N-O 2.89Å; F224-H239 AromaticContact CD2-CE1 3.99Å; F224-H239 AromaticContact CE2-CE1 3.5Å; F224-H239 VanDerWaalsContact CE2-CE1 3.5Å; F224-H239 WeakPolarHBondContact CE2-CE1 2.98Å; F224-H239 AromaticContact CE2-ND1 3.52Å; Y237-H239 AromaticContact CD2-NE2 3.94Å; Y237-H239 AromaticContact CE2-NE2 3.53Å |
| 240 | M | 96.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 172 | 179.8 | -54.3 | -175.2 | -52.1 | 0 | 0 | 110.4 | H155 V171 L173 I205 A218 V219 V238 | H155-M240 PolarHBondContact NE2-O 3.41Å; V171-M240 HydrophobicContact CG2-CB 3.89Å; V171-M240 HydrophobicContact CG2-CE 4.21Å; V171-M240 PolarHBondContact N-O 3.25Å; V171-M240 CarbonylContact O-C 3.55Å; V171-M240 PolarHBondContact O-N 3.12Å; L173-M240 HydrophobicContact CB-CE 3.65Å; L173-M240 HydrophobicContact CB-SD 4.09Å; I205-M240 HydrophobicContact CD1-SD 3.95Å; I205-M240 HydrophobicContact CG2-SD 4.01Å; A218-M240 CarbonylContact O-C 3.47Å; A218-M240 WeakPolarHBondContact O-CA 3.48Å; A218-M240 VanDerWaalsContact O-CB 3.3Å; A218-M240 WeakPolarHBondContact O-CB 3.46Å; V219-M240 HydrophobicContact CG2-CG 4.37Å; V238-M240 HydrophobicContact CG1-CG 4.26Å |
| 241 | Y | 95.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 39.5 Ų | 39.5 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.3 | 171.6 | -62.6 | -92 | 0 | 0 | 0 | 108.6 | H155 Q169 R170 R217 A218 D220 F243 | H155-Y241 AromaticContact CE1-CZ 3.61Å; Q169-Y241 CarbonylContact O-C 3.47Å; Q169-Y241 VanDerWaalsContact O-CA 3.23Å; Q169-Y241 WeakPolarHBondContact O-CA 3.46Å; R170-Y241 HydrophobicContact CG-CD1 3.96Å; R170-Y241 HydrophobicContact CG-CE1 3.61Å; R217-Y241 WeakPolarHBondContact O-CB 3.34Å; A218-Y241 PolarHBondContact O-N 2.84Å; D220-Y241 WeakPolarHBondContact OD2-CE2 3.49Å; D220-Y241 PolarHBondContact OD2-OH 2.9Å; Y241-F243 VanDerWaalsContact O-CD1 3.29Å; Y241-F243 WeakPolarHBondContact O-CD1 3.03Å; Y241-F243 PolarHBondContact O-N 3.49Å; Y241-F243 VanDerWaalsContact O-N 3.15Å |
| 242 | G | 92.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | trans | -53.7 | 121.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | V167 G168 Q169 | V167-G242 CarbonylContact C-O 3.51Å; V167-G242 WeakPolarHBondContact CA-O 3.34Å; G168-G242 PolarHBondContact N-O 2.74Å; Q169-G242 PolarHBondContact O-N 3.28Å | ||
| 243 | F | 93.2 | Very high | 92.4 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | trans | -136.6 | 158 | 175.7 | 67 | -96.2 | 0 | 0 | 0 | 108.5 | A192 I203 A218 Y241 F245 V251 V305 | A192-F243 HydrophobicContact CB-CE2 4.04Å; A192-F243 HydrophobicContact CB-CZ 3.62Å; I203-F243 HydrophobicContact CD1-CD2 4.49Å; I203-F243 HydrophobicContact CD1-CE2 4.1Å; A218-F243 HydrophobicContact CB-CD1 3.84Å; A218-F243 HydrophobicContact CB-CE1 4.39Å; A218-F243 HydrophobicContact CB-CG 4.37Å; Y241-F243 VanDerWaalsContact O-CD1 3.29Å; Y241-F243 WeakPolarHBondContact O-CD1 3.03Å; Y241-F243 PolarHBondContact O-N 3.49Å; Y241-F243 VanDerWaalsContact O-N 3.15Å; F243-F245 HydrophobicContact CE2-CE2 4.15Å; F243-F245 HydrophobicContact CE2-CZ 4.24Å; F243-V251 HydrophobicContact CE2-CG1 3.96Å; F243-V251 HydrophobicContact CE2-CG2 4.35Å; F243-V251 HydrophobicContact CZ-CG1 4.07Å; F243-V251 VanDerWaalsContact O-CG2 3.3Å; F243-V251 WeakPolarHBondContact O-CG2 3.43Å; F243-V305 WeakPolarHBondContact O-CG2 3.46Å | ||
| 244 | Q | 90.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | trans | -135.8 | 157.2 | 174.7 | 61.2 | 169.4 | 77 | 0 | 0 | 110.7 | V167 V305 | V167-Q244 HydrophobicContact CG2-CG 4.36Å; Q244-V305 HydrophobicContact CB-CB 3.97Å; Q244-V305 HydrophobicContact CB-CG1 4.09Å; Q244-V305 HydrophobicContact CB-CG2 4.5Å; Q244-V305 HydrophobicContact CG-CG1 4.46Å | ||
| 245 | F | 90.8 | Very high | 92.8 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | trans | -78.3 | 158.6 | 169.7 | -63.5 | -84.1 | 0 | 0 | 0 | 110.1 | A192 D194 T201 I203 F243 T247 V251 | A192-F245 HydrophobicContact CB-CZ 4.4Å; D194-F245 HydrophobicContact CB-CB 3.81Å; D194-F245 HydrophobicContact CB-CD2 3.73Å; D194-F245 HydrophobicContact CB-CE2 4.47Å; D194-F245 HydrophobicContact CB-CG 3.76Å; T201-F245 WeakPolarHBondContact O-CE1 3.47Å; T201-F245 WeakPolarHBondContact O-CZ 3.27Å; I203-F245 HydrophobicContact CD1-CE1 3.62Å; I203-F245 HydrophobicContact CD1-CZ 3.81Å; I203-F245 HydrophobicContact CG1-CE1 3.93Å; I203-F245 HydrophobicContact CG1-CZ 4.1Å; F243-F245 HydrophobicContact CE2-CE2 4.15Å; F243-F245 HydrophobicContact CE2-CZ 4.24Å; F245-T247 PolarHBondContact O-N 3.39Å; F245-V251 HydrophobicContact CD2-CG2 4.11Å; F245-V251 HydrophobicContact CE2-CG1 4.22Å; F245-V251 HydrophobicContact CE2-CG2 4.22Å | ||
| 246 | T | 88.3 | Confident | 92.6 | Very high | 150 Ų | 150 | 38.8 Ų | 38.8 | 92% | 0.92 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -72 | -19.3 | 175.2 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 247 | T | 86.7 | Confident | 92.3 | Very high | 90 Ų | 90 | 38.7 Ų | 38.7 | 55% | 0.552 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -90.8 | -21.6 | -178.1 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | D194 F245 | D194-T247 WeakPolarHBondContact CB-OG1 3.15Å; D194-T247 WeakPolarHBondContact OD2-CB 3.32Å; D194-T247 PolarHBondContact OD2-OG1 3.49Å; F245-T247 PolarHBondContact O-N 3.39Å |
| 248 | S | 87.4 | Confident | 91.8 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 22% | 0.217 | 19% | 0.194 | C | C | . | . | trans | -153.6 | 143.7 | -172.7 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | L250 | S248-L250 VanDerWaalsContact C-N 3.31Å; S248-L250 PolarHBondContact OG-N 3.38Å; S248-L250 PolarHBondContact OG-O 2.98Å | ||
| 249 | Q | 88.8 | Confident | 91.1 | Very high | 106 Ų | 106 | 37.7 Ų | 37.7 | 50% | 0.495 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -83.5 | -9.4 | 168.4 | -65.4 | 175.9 | 10.6 | 0 | 0 | 112.5 | V305 | Q249-V305 PolarHBondContact O-N 3.12Š|
| 250 | L | 91.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.7 | 176 | -62.7 | 177 | 0 | 0 | 0 | 109.6 | S248 Y252 I303 R304 | S248-L250 VanDerWaalsContact C-N 3.31Å; S248-L250 PolarHBondContact OG-N 3.38Å; S248-L250 PolarHBondContact OG-O 2.98Å; L250-Y252 HydrophobicContact CB-CE2 3.83Å; L250-I303 WeakPolarHBondContact CA-O 3.02Å; L250-R304 HydrophobicContact CD2-CB 3.86Å; L250-R304 HydrophobicContact CD2-CG 4.27Å |
| 251 | V | 91.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.5 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | A192 F243 F245 V253 V302 I303 V305 | A192-V251 HydrophobicContact CB-CG1 3.85Å; F243-V251 HydrophobicContact CE2-CG1 3.96Å; F243-V251 HydrophobicContact CE2-CG2 4.35Å; F243-V251 HydrophobicContact CZ-CG1 4.07Å; F243-V251 VanDerWaalsContact O-CG2 3.3Å; F243-V251 WeakPolarHBondContact O-CG2 3.43Å; F245-V251 HydrophobicContact CD2-CG2 4.11Å; F245-V251 HydrophobicContact CE2-CG1 4.22Å; F245-V251 HydrophobicContact CE2-CG2 4.22Å; V251-V253 HydrophobicContact CG1-CG2 4.18Å; V251-V302 WeakPolarHBondContact O-CA 3.39Å; V251-I303 HydrophobicContact CB-CG2 3.9Å; V251-I303 PolarHBondContact N-O 2.67Å; V251-I303 PolarHBondContact O-N 3.17Å; V251-V305 HydrophobicContact CG2-CG2 4.25Å |
| 252 | Y | 92.5 | Very high | 88.7 | Confident | 72 Ų | 72 | 35.9 Ų | 35.9 | 28% | 0.282 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.9 | 175.5 | -63.9 | -100.5 | 0 | 0 | 0 | 107.7 | A192 H193 L250 V302 | A192-Y252 CarbonylContact C-O 3.52Å; A192-Y252 WeakPolarHBondContact CA-O 3.31Å; H193-Y252 PolarHBondContact CD2-O 3.39Å; H193-Y252 PolarHBondContact N-O 3.01Å; H193-Y252 WeakPolarHBondContact NE2-CB 3.3Å; H193-Y252 PolarHBondContact O-N 2.98Å; L250-Y252 HydrophobicContact CB-CE2 3.83Å; Y252-V302 HydrophobicContact CD1-CB 4.36Å; Y252-V302 HydrophobicContact CD1-CG1 4.07Å; Y252-V302 HydrophobicContact CD1-CG2 3.43Å; Y252-V302 VanDerWaalsContact CD1-CG2 3.43Å; Y252-V302 HydrophobicContact CE1-CB 4.44Å; Y252-V302 HydrophobicContact CE1-CG1 3.88Å; Y252-V302 HydrophobicContact CE1-CG2 3.64Å; Y252-V302 HydrophobicContact CG-CG1 4.45Å; Y252-V302 HydrophobicContact CG-CG2 4.31Å |
| 253 | V | 94.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.5 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | M149 L173 Y191 A192 I205 V251 T300 A301 | M149-V253 WeakPolarHBondContact CE-O 3.4Å; L173-V253 HydrophobicContact CD1-CG1 3.96Å; L173-V253 HydrophobicContact CD2-CG1 3.72Å; Y191-V253 WeakPolarHBondContact O-CA 3.23Å; A192-V253 HydrophobicContact CB-CG2 4.33Å; I205-V253 HydrophobicContact CD1-CG1 3.84Å; I205-V253 HydrophobicContact CD1-CG2 4.28Å; V251-V253 HydrophobicContact CG1-CG2 4.18Å; V253-T300 CarbonylContact O-C 3.5Å; V253-T300 VanDerWaalsContact O-CA 3.29Å; V253-T300 WeakPolarHBondContact O-CA 3.24Å; V253-A301 PolarHBondContact N-O 3.37Å; V253-A301 PolarHBondContact O-N 2.81Å |
| 254 | Q | 93.4 | Very high | 87.7 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139.8 | 179 | -58.2 | -163.7 | -35.9 | 0 | 0 | 109.6 | C190 Y191 H193 L299 T300 | C190-Q254 CarbonylContact C-O 3.52Å; C190-Q254 WeakPolarHBondContact CA-O 3.45Å; Y191-Q254 HydrophobicContact CE1-CB 4.11Å; Y191-Q254 HydrophobicContact CE2-CB 4.12Å; Y191-Q254 HydrophobicContact CE2-CG 4.42Å; Y191-Q254 PolarHBondContact N-O 3.09Å; Y191-Q254 PolarHBondContact O-N 2.86Å; Y191-Q254 PolarHBondContact OH-OE1 2.99Å; H193-Q254 VanDerWaalsContact NE2-CD 3.34Å; Q254-L299 CarbonylContact C-O 3.46Å; Q254-L299 VanDerWaalsContact CA-O 3.29Å; Q254-L299 WeakPolarHBondContact CA-O 3.5Å; Q254-T300 HydrophobicContact CG-CG2 4.03Å; Q254-T300 PolarHBondContact NE2-OG1 2.78Å |
| 255 | C | 94.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.3 | -178.2 | -74.1 | 0 | 0 | 0 | 0 | 110.6 | M149 V187 C190 N298 L299 | M149-C255 HydrophobicContact SD-CB 3.9Å; V187-C255 HydrophobicContact CG1-CB 4.06Å; C190-C255 HydrophobicContact CB-CB 4.12Å; C190-C255 WeakPolarHBondContact CB-SG 3.49Å; C190-C255 WeakPolarHBondContact SG-CB 3.5Å; C190-C255 CovalentContact SG-SG 2.03Å; C190-C255 PolarHBondContact SG-SG 3.25Å; C255-N298 WeakPolarHBondContact O-CA 3.33Å; C255-L299 PolarHBondContact N-O 2.02Å; C255-L299 PolarHBondContact O-N 2.73Å |
| 256 | Q | 91.9 | Very high | 86.7 | Confident | 42 Ų | 42 | 48 Ų | 48 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.5 | 167.3 | -60.4 | -61.9 | -40.2 | 0 | 0 | 109.6 | H188 D189 N296 Y297 | H188-Q256 VanDerWaalsContact CE1-CB 3.49Å; H188-Q256 WeakPolarHBondContact CE1-CB 3.33Å; H188-Q256 PolarHBondContact N-O 2.88Å; H188-Q256 CarbonylContact O-C 3.35Å; H188-Q256 WeakPolarHBondContact O-CA 3.4Å; H188-Q256 WeakPolarHBondContact O-CB 3.34Å; H188-Q256 PolarHBondContact O-N 2.83Å; D189-Q256 HydrophobicContact CB-CB 4.29Å; D189-Q256 HydrophobicContact CB-CG 4.02Å; Q256-N296 HydrophobicContact CB-CB 4.46Å; Q256-Y297 CarbonylContact C-O 3.55Å; Q256-Y297 WeakPolarHBondContact CA-O 3.2Å |
| 257 | V | 89.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.8 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | L147 V175 F185 V187 Y297 L299 | L147-V257 HydrophobicContact CD1-CG1 3.88Å; L147-V257 HydrophobicContact CD2-CG1 4.11Å; V175-V257 HydrophobicContact CG1-CG2 3.98Å; F185-V257 HydrophobicContact CB-CG1 4.28Å; F185-V257 HydrophobicContact CD2-CG1 3.73Å; F185-V257 HydrophobicContact CG-CG1 4.37Å; V187-V257 HydrophobicContact CG1-CG2 4.38Å; V187-V257 HydrophobicContact CG2-CG2 4.23Å; V257-Y297 PolarHBondContact N-O 3.36Å; V257-Y297 PolarHBondContact O-N 3.15Å; V257-L299 HydrophobicContact CB-CD1 4.41Å; V257-L299 HydrophobicContact CG2-CD1 3.54Å; V257-L299 HydrophobicContact CG2-CG 3.86Å |
| 258 | R | 84.8 | Confident | 86.2 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.5 | 175.5 | -176.9 | 167.8 | 174.7 | 162.6 | 4.5 | 109.3 | Q78 F185 Y186 E294 | Q78-R258 VanDerWaalsContact NE2-NH2 3.12Å; F185-R258 WeakPolarHBondContact CA-O 3.3Å; Y186-R258 HydrophobicContact CD1-CB 4.13Å; Y186-R258 HydrophobicContact CE1-CB 3.58Å; Y186-R258 HydrophobicContact CE1-CG 3.84Å; Y186-R258 PolarHBondContact N-O 2.04Å; Y186-R258 PolarHBondContact O-N 2.74Å; Y186-R258 WeakPolarHBondContact OH-CD 3.05Å; R258-E294 VanDerWaalsContact CZ-CD 3.43Å; R258-E294 IonicContact CZ-OE1 3.64Å; R258-E294 IonicContact CZ-OE2 3.59Å; R258-E294 IonicContact NH1-OE1 3.01Å; R258-E294 PolarHBondContact NH1-OE1 2.89Å; R258-E294 VanDerWaalsContact NH1-OE1 3.15Å; R258-E294 IonicContact NH1-OE2 2.74Å; R258-E294 PolarHBondContact NH1-OE2 3.42Å; R258-E294 IonicContact NH2-OE1 3.71Å; R258-E294 PolarHBondContact NH2-OE1 2.89Å; R258-E294 IonicContact NH2-OE2 2.98Å |
| 259 | P | 82.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 158.9 | 173.8 | 38.7 | -37.6 | 0 | 0 | 0 | 110.6 | M111 I114 M177 D184 F185 Y297 | M111-P259 HydrophobicContact CE-CB 3.17Å; M111-P259 HydrophobicContact CE-CG 3.34Å; I114-P259 HydrophobicContact CD1-CB 4.39Å; I114-P259 HydrophobicContact CD1-CG 3.77Å; M177-P259 HydrophobicContact CE-CB 4.01Å; D184-P259 CarbonylContact O-C 3.6Å; D184-P259 WeakPolarHBondContact O-CA 3.46Å; F185-P259 HydrophobicContact CB-CB 4.37Å; P259-Y297 HydrophobicContact CG-CD2 4.04Å; P259-Y297 HydrophobicContact CG-CE2 3.86Å |
| 260 | C | 82.6 | Confident | 84.8 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.2 | 178.7 | -49.2 | 0 | 0 | 0 | 0 | 109.4 | Q78 Y183 D184 C264 | Q78-C260 CarbonylContact O-C 3.46Å; Q78-C260 VanDerWaalsContact O-CA 3.26Å; Q78-C260 WeakPolarHBondContact O-CA 3.25Å; Y183-C260 WeakPolarHBondContact CA-O 3.32Å; D184-C260 HydrophobicContact CB-CB 4.44Å; D184-C260 PolarHBondContact N-O 2.56Å; D184-C260 PolarHBondContact O-N 2.91Å; C260-C264 HydrophobicContact CB-CB 4.02Å; C260-C264 WeakPolarHBondContact CB-SG 3.46Å; C260-C264 VanDerWaalsContact SG-CA 3.51Å; C260-C264 WeakPolarHBondContact SG-CB 3.5Å; C260-C264 CovalentContact SG-SG 2.04Å; C260-C264 PolarHBondContact SG-SG 3.04Å |
| 261 | L | 77 | Confident | 83 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 128.8 | 160.6 | -165.8 | 65.5 | 0 | 0 | 0 | 107.7 | H73 Q78 G81 Y83 I182 Y183 | H73-L261 WeakPolarHBondContact NE2-CD2 3.46Å; Q78-L261 PolarHBondContact O-N 2.79Å; G81-L261 VanDerWaalsContact CA-CD2 3.5Å; Y83-L261 HydrophobicContact CE2-CD1 4.44Å; I182-L261 HydrophobicContact CD1-CD1 4.14Å; I182-L261 HydrophobicContact CG1-CD1 4.45Å; Y183-L261 HydrophobicContact CD1-CD1 4.17Å; Y183-L261 HydrophobicContact CE1-CD1 3.9Å |
| 262 | Q | 79.3 | Confident | 81 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 57.5 | -171.1 | -167.2 | -61.6 | -67.2 | -42.8 | 0 | 0 | 112.4 | Y83 I182 D184 C264 | Y83-Q262 PolarHBondContact OH-NE2 3.03Å; I182-Q262 WeakPolarHBondContact O-CA 3.45Å; I182-Q262 PolarHBondContact O-N 3.05Å; D184-Q262 WeakPolarHBondContact CB-O 3.36Å; Q262-C264 PolarHBondContact O-N 3.41Å |
| 263 | N | 81.4 | Confident | 78.8 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 67% | 0.674 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -57.4 | 129.7 | -179.7 | -73.7 | 98.4 | 0 | 0 | 0 | 112.1 | D184 N265 | D184-N263 WeakPolarHBondContact OD2-CA 3.5Å; N263-N265 PolarHBondContact O-N 3.32Å |
| 264 | C | 83.8 | Confident | 76.3 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | trans | -62.3 | 128.3 | 173 | -68.8 | 0 | 0 | 0 | 0 | 109.7 | D184 Y186 C260 Q262 R266 | D184-C264 PolarHBondContact OD2-N 3.22Å; Y186-C264 HydrophobicContact CD1-CB 4.44Å; C260-C264 HydrophobicContact CB-CB 4.02Å; C260-C264 WeakPolarHBondContact CB-SG 3.46Å; C260-C264 VanDerWaalsContact SG-CA 3.51Å; C260-C264 WeakPolarHBondContact SG-CB 3.5Å; C260-C264 CovalentContact SG-SG 2.04Å; C260-C264 PolarHBondContact SG-SG 3.04Å; Q262-C264 PolarHBondContact O-N 3.41Å; C264-R266 PolarHBondContact O-N 3.28Å | ||
| 265 | N | 78.6 | Confident | 73.8 | Confident | 142 Ų | 142 | 63 Ų | 63 | 76% | 0.759 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -57 | -24.1 | 175.7 | -73.2 | -39.7 | 0 | 0 | 0 | 113 | N263 | N263-N265 PolarHBondContact O-N 3.32Š|
| 266 | R | 79.6 | Confident | 71.2 | Confident | 79 Ų | 79 | 69 Ų | 69 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -104.3 | 112.6 | 175.5 | -175.3 | -174.7 | -173.7 | 152.2 | 21.8 | 109.6 | Q208 D209 C264 | Q208-R266 PolarHBondContact O-NH1 2.46Å; D209-R266 VanDerWaalsContact CB-NH2 3.3Å; D209-R266 PolarHBondContact O-NH2 3.48Å; D209-R266 IonicContact OD1-CZ 3.79Å; D209-R266 IonicContact OD1-NH1 2.83Å; D209-R266 IonicContact OD1-NH2 3.61Å; D209-R266 PolarHBondContact OD1-NH2 2.91Å; C264-R266 PolarHBondContact O-N 3.28Å |
| 267 | P | 80.4 | Confident | 68.9 | Low | 71 Ų | 71 | 72.2 Ų | 72.2 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | trans | -72.9 | 160 | 170.7 | 32.4 | -34.2 | 0 | 0 | 0 | 110.9 | C269 Q270 | P267-C269 PolarHBondContact O-N 2.8Å; P267-Q270 HydrophobicContact CG-CG 3.73Å | ||
| 268 | Q | 84.6 | Confident | 66.6 | Low | 25 Ų | 25 | 79.9 Ų | 79.9 | 12% | 0.117 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -58.2 | 112.7 | 173.3 | -166.2 | 69.7 | 36.4 | 0 | 0 | 109.6 | V187 G210 A223 T225 V236 | V187-Q268 PolarHBondContact O-NE2 2.86Å; G210-Q268 PolarHBondContact O-NE2 3.49Å; A223-Q268 HydrophobicContact CB-CG 4.32Å; T225-Q268 WeakPolarHBondContact OG1-CB 3.35Å; V236-Q268 HydrophobicContact CG1-CG 3.99Å |
| 269 | C | 80.4 | Confident | 64.5 | Low | 28 Ų | 28 | 86.5 Ų | 86.5 | 19% | 0.189 | 47% | 0.471 | C | S | . | . | trans | 54.7 | 105 | -177.4 | -167.2 | 0 | 0 | 0 | 0 | 115.5 | C211 P267 V271 | C211-C269 HydrophobicContact CB-CB 3.99Å; C211-C269 WeakPolarHBondContact CB-SG 3.42Å; C211-C269 VanDerWaalsContact SG-CA 3.52Å; C211-C269 WeakPolarHBondContact SG-CB 3.19Å; C211-C269 CovalentContact SG-SG 2.05Å; C211-C269 PolarHBondContact SG-SG 2.93Å; P267-C269 PolarHBondContact O-N 2.8Å; C269-V271 PolarHBondContact O-N 3.37Å | ||
| 270 | Q | 65.7 | Low | 62.8 | Low | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | trans | -86.6 | 87 | 169.3 | -72.5 | -174.3 | -11.4 | 0 | 0 | 110.7 | P267 T272 | P267-Q270 HydrophobicContact CG-CG 3.73Å; Q270-T272 PolarHBondContact O-N 3.18Å | ||
| 271 | V | 55.3 | Low | 60.8 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 59% | 0.594 | 55% | 0.55 | S | S | * | * | trans | -72.7 | 101.5 | 169.1 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | C269 V273 | C269-V271 PolarHBondContact O-N 3.37Å; V271-V273 HydrophobicContact CG1-CG2 4.37Å; V271-V273 PolarHBondContact O-N 2.94Å | ||
| 272 | T | 48.4 | Very low | 59.1 | Low | 112 Ų | 112 | 112.8 Ų | 112.8 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | trans | -68.3 | 97.8 | 171.2 | -57.4 | 0 | 0 | 0 | 0 | 108.1 | Q270 N274 | Q270-T272 PolarHBondContact O-N 3.18Å; T272-N274 PolarHBondContact O-N 2.87Å | ||
| 273 | V | 45.9 | Very low | 57.3 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 70% | 0.703 | 61% | 0.608 | S | S | * | * | trans | -74.3 | 72 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | V271 | V271-V273 HydrophobicContact CG1-CG2 4.37Å; V271-V273 PolarHBondContact O-N 2.94Å | ||
| 274 | N | 42.5 | Very low | 55.4 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | trans | -85.2 | 116.1 | 157 | -83.7 | -7.3 | 0 | 0 | 0 | 106.8 | T272 T276 | T272-N274 PolarHBondContact O-N 2.87Å; N274-T276 PolarHBondContact O-N 2.87Å | ||
| 275 | N | 41.1 | Very low | 53.4 | Low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -39.6 | 136 | 174.4 | -80.2 | -23 | 0 | 0 | 0 | 110.9 | ||
| 276 | T | 40.7 | Very low | 51.3 | Low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 71.2 | 114.3 | 179.5 | 58 | 0 | 0 | 0 | 0 | 116 | N274 | N274-T276 PolarHBondContact O-N 2.87Š|
| 277 | T | 43 | Very low | 49.4 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | trans | 72.5 | 109.5 | 171.2 | 68 | 0 | 0 | 0 | 0 | 115.9 | H279 | T277-H279 PolarHBondContact O-N 2.83Š| ||
| 278 | L | 41.8 | Very low | 47.2 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | trans | -60.1 | 80.1 | 167.3 | -76.5 | 155.6 | 0 | 0 | 0 | 109.7 | ||||
| 279 | H | 39.4 | Very low | 44.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | -112.7 | 103.6 | 166.4 | -75.6 | -54.8 | 0 | 0 | 0 | 107.9 | T277 R281 | T277-H279 PolarHBondContact O-N 2.83Å; H279-R281 VanDerWaalsContact C-N 3.34Å; H279-R281 PolarHBondContact O-N 2.9Å | ||
| 280 | L | 46.7 | Very low | 42.1 | Very low | 149 Ų | 149 | 149 Ų | 149 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -56.9 | 95.4 | 171.4 | -71.5 | 103.2 | 0 | 0 | 0 | 108.8 | R282 | L280-R282 PolarHBondContact O-N 3.26Š| ||
| 281 | R | 42 | Very low | 40.5 | Very low | 237 Ų | 237 | 152.1 Ų | 152.1 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | -85.4 | 96.5 | 179.7 | -167 | 175.1 | -177.4 | -178 | 0.9 | 108.9 | H279 K283 | H279-R281 VanDerWaalsContact C-N 3.34Å; H279-R281 PolarHBondContact O-N 2.9Å; R281-K283 PolarHBondContact O-N 2.73Å | ||
| 282 | R | 41.2 | Very low | 39.6 | Very low | 177 Ų | 177 | 153 Ų | 153 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | -55.8 | 99.5 | 169.9 | -169.6 | 176.1 | -172.5 | 173.3 | 5.7 | 109.9 | L280 R284 | L280-R282 PolarHBondContact O-N 3.26Å; R282-R284 PolarHBondContact O-N 2.87Å | ||
| 283 | K | 41.4 | Very low | 39.1 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -81.3 | 103.9 | 172.1 | -162.6 | 177.5 | -177.3 | -175.1 | 0 | 107.6 | R281 T285 | R281-K283 PolarHBondContact O-N 2.73Å; K283-T285 VanDerWaalsContact C-N 3.31Å; K283-T285 PolarHBondContact O-N 3.49Å | ||
| 284 | R | 40.8 | Very low | 39.4 | Very low | 213 Ų | 213 | 152.7 Ų | 152.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -69.5 | 90.9 | 167.5 | -80 | -178.5 | 177.2 | 156.7 | -1 | 108.2 | R282 H286 | R282-R284 PolarHBondContact O-N 2.87Å; R284-H286 PolarHBondContact O-N 3.07Å | ||
| 285 | T | 40.9 | Very low | 40.3 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | -78.2 | 112.7 | 164.3 | -24.5 | 0 | 0 | 0 | 0 | 106.5 | K283 A287 | K283-T285 VanDerWaalsContact C-N 3.31Å; K283-T285 PolarHBondContact O-N 3.49Å; T285-A287 PolarHBondContact O-N 3.23Å | ||
| 286 | H | 35.5 | Very low | 41.8 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.815 | 72% | 0.721 | S | S | * | * | trans | -60.2 | 104.1 | 173.5 | -105.7 | -93.2 | 0 | 0 | 0 | 108.7 | R284 N288 | R284-H286 PolarHBondContact O-N 3.07Å; H286-N288 PolarHBondContact O-N 3.08Å; H286-N288 VanDerWaalsContact O-N 3.13Å | ||
| 287 | A | 40.4 | Very low | 43.7 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -77.4 | 92.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | T285 | T285-A287 PolarHBondContact O-N 3.23Š| ||
| 288 | N | 32.9 | Very low | 45.7 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -98.1 | 95.4 | 159.2 | -99 | 6.1 | 0 | 0 | 0 | 107.6 | H286 | H286-N288 PolarHBondContact O-N 3.08Å; H286-N288 VanDerWaalsContact O-N 3.13Å | ||
| 289 | S | 33.1 | Very low | 47.9 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | trans | 179.9 | 115 | 144.8 | 32.1 | 0 | 0 | 0 | 0 | 108.3 | F291 | S289-F291 PolarHBondContact O-N 3.04Š| ||
| 290 | W | 24.5 | Very low | 50.2 | Low | 249 Ų | 249 | 127.9 Ų | 127.9 | 94% | 0.943 | 62% | 0.621 | S | S | * | * | trans | -68.8 | 112.4 | 168 | -80.6 | -32.1 | 0 | 0 | 0 | 109.5 | ||||
| 291 | F | 32.2 | Very low | 52.3 | Low | 189 Ų | 189 | 121.4 Ų | 121.4 | 83% | 0.829 | 59% | 0.589 | S | S | * | * | trans | -139.3 | 103.1 | 147.1 | -76.6 | -76.1 | 0 | 0 | 0 | 106.7 | S289 L293 | S289-F291 PolarHBondContact O-N 3.04Å; F291-L293 PolarHBondContact O-N 3.08Å | ||
| 292 | P | 36.5 | Very low | 54.5 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 76% | 0.76 | 57% | 0.565 | S | S | * | * | trans | -90.1 | 106 | -177.3 | 32.6 | -26 | 0 | 0 | 0 | 109.7 | ||||
| 293 | L | 39.4 | Very low | 56.9 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | trans | -177.7 | 70.7 | 134.5 | -126.6 | 76.6 | 0 | 0 | 0 | 106.4 | F291 E295 | F291-L293 PolarHBondContact O-N 3.08Å; L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 HydrophobicContact CB-CG 4.5Å; L293-E295 HydrophobicContact CD2-CG 4.02Å; L293-E295 WeakPolarHBondContact CD2-OE1 3.3Å; L293-E295 HydrophobicContact CG-CG 3.95Å; L293-E295 PolarHBondContact O-N 3.38Å | ||
| 294 | E | 50.6 | Low | 59.3 | Low | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | trans | -84.9 | 86.2 | 164.6 | -67.3 | -176.2 | 149.4 | 0 | 0 | 105.8 | R258 N296 | R258-E294 VanDerWaalsContact CZ-CD 3.43Å; R258-E294 IonicContact CZ-OE1 3.64Å; R258-E294 IonicContact CZ-OE2 3.59Å; R258-E294 IonicContact NH1-OE1 3.01Å; R258-E294 PolarHBondContact NH1-OE1 2.89Å; R258-E294 VanDerWaalsContact NH1-OE1 3.15Å; R258-E294 IonicContact NH1-OE2 2.74Å; R258-E294 PolarHBondContact NH1-OE2 3.42Å; R258-E294 IonicContact NH2-OE1 3.71Å; R258-E294 PolarHBondContact NH2-OE1 2.89Å; R258-E294 IonicContact NH2-OE2 2.98Å; E294-N296 PolarHBondContact O-N 2.77Å | ||
| 295 | E | 61.6 | Low | 61.7 | Low | 78 Ų | 78 | 92.9 Ų | 92.9 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | trans | -71.8 | 101.5 | -179.4 | -63 | -155.6 | 161.5 | 0 | 0 | 109.5 | L293 | L293-E295 VanDerWaalsContact C-N 3.31Å; L293-E295 HydrophobicContact CB-CG 4.5Å; L293-E295 HydrophobicContact CD2-CG 4.02Å; L293-E295 WeakPolarHBondContact CD2-OE1 3.3Å; L293-E295 HydrophobicContact CG-CG 3.95Å; L293-E295 PolarHBondContact O-N 3.38Å | ||
| 296 | N | 74 | Confident | 63.9 | Low | 63 Ų | 63 | 91.7 Ų | 91.7 | 34% | 0.337 | 47% | 0.47 | S | S | . | . | trans | -82.6 | 134.1 | 168.2 | -61.3 | -42.4 | 0 | 0 | 0 | 108.6 | Q256 E294 | Q256-N296 HydrophobicContact CB-CB 4.46Å; E294-N296 PolarHBondContact O-N 2.77Å | ||
| 297 | Y | 79.9 | Confident | 65.8 | Low | 23 Ų | 23 | 89.3 Ų | 89.3 | 9% | 0.09 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.1 | 177.6 | -71.9 | -85.3 | 0 | 0 | 0 | 110.6 | M111 I114 L116 L147 Q256 V257 P259 | M111-Y297 PolarHBondContact O-OH 3.18Å; I114-Y297 HydrophobicContact CB-CD1 4.41Å; I114-Y297 HydrophobicContact CB-CE1 3.68Å; I114-Y297 HydrophobicContact CB-CE2 4.46Å; I114-Y297 HydrophobicContact CD1-CD2 3.85Å; I114-Y297 HydrophobicContact CD1-CE1 4.02Å; I114-Y297 HydrophobicContact CD1-CE2 3.19Å; I114-Y297 HydrophobicContact CD1-CG 4.49Å; I114-Y297 HydrophobicContact CG1-CE1 4.34Å; I114-Y297 HydrophobicContact CG1-CE2 4.26Å; I114-Y297 HydrophobicContact CG2-CD1 4.44Å; I114-Y297 HydrophobicContact CG2-CE1 4.17Å; L116-Y297 HydrophobicContact CD1-CD1 4.36Å; L116-Y297 HydrophobicContact CD2-CD1 4.11Å; L116-Y297 HydrophobicContact CG-CD1 4.46Å; L147-Y297 HydrophobicContact CD1-CD2 4.44Å; L147-Y297 HydrophobicContact CD1-CG 4.48Å; Q256-Y297 CarbonylContact C-O 3.55Å; Q256-Y297 WeakPolarHBondContact CA-O 3.2Å; V257-Y297 PolarHBondContact N-O 3.36Å; V257-Y297 PolarHBondContact O-N 3.15Å; P259-Y297 HydrophobicContact CG-CD2 4.04Å; P259-Y297 HydrophobicContact CG-CE2 3.86Å |
| 298 | N | 85.3 | Confident | 67.1 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 106.5 | 173.1 | -171.2 | 0.7 | 0 | 0 | 0 | 110.1 | C255 | C255-N298 WeakPolarHBondContact O-CA 3.33Å |
| 299 | L | 87.4 | Confident | 68.5 | Low | 11 Ų | 11 | 93.3 Ų | 93.3 | 6% | 0.058 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 138.9 | 172.3 | -57.9 | -173.6 | 0 | 0 | 0 | 109.6 | L116 M149 V175 Q254 C255 V257 | L116-L299 HydrophobicContact CD2-CD2 3.45Å; L116-L299 VanDerWaalsContact CD2-CD2 3.45Å; M149-L299 HydrophobicContact CB-CB 3.88Å; M149-L299 HydrophobicContact CB-CD1 3.82Å; M149-L299 HydrophobicContact CB-CG 4.47Å; M149-L299 VanDerWaalsContact CE-C 3.44Å; M149-L299 HydrophobicContact CE-CB 3.94Å; M149-L299 VanDerWaalsContact CE-O 3.3Å; M149-L299 WeakPolarHBondContact CE-O 3.45Å; M149-L299 HydrophobicContact SD-CB 3.92Å; V175-L299 HydrophobicContact CG1-CD1 3.78Å; Q254-L299 CarbonylContact C-O 3.46Å; Q254-L299 VanDerWaalsContact CA-O 3.29Å; Q254-L299 WeakPolarHBondContact CA-O 3.5Å; C255-L299 PolarHBondContact N-O 2.02Å; C255-L299 PolarHBondContact O-N 2.73Å; V257-L299 HydrophobicContact CB-CD1 4.41Å; V257-L299 HydrophobicContact CG2-CD1 3.54Å; V257-L299 HydrophobicContact CG2-CG 3.86Å |
| 300 | T | 87.9 | Confident | 69.7 | Low | 57 Ų | 57 | 96 Ų | 96 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.8 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | M149 V253 Q254 V302 | M149-T300 VanDerWaalsContact CE-CA 3.43Å; V253-T300 CarbonylContact O-C 3.5Å; V253-T300 VanDerWaalsContact O-CA 3.29Å; V253-T300 WeakPolarHBondContact O-CA 3.24Å; Q254-T300 HydrophobicContact CG-CG2 4.03Å; Q254-T300 PolarHBondContact NE2-OG1 2.78Å; T300-V302 HydrophobicContact CG2-CG2 4.32Å |
| 301 | A | 90.2 | Very high | 71.2 | Confident | 13 Ų | 13 | 93 Ų | 93 | 11% | 0.107 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | M149 I151 V253 | M149-A301 HydrophobicContact CE-CB 3.61Å; M149-A301 HydrophobicContact CG-CB 4.31Å; I151-A301 HydrophobicContact CD1-CB 4.2Å; I151-A301 HydrophobicContact CG1-CB 4.38Å; V253-A301 PolarHBondContact N-O 3.37Å; V253-A301 PolarHBondContact O-N 2.81Å |
| 302 | V | 89.5 | Confident | 71.9 | Confident | 67 Ų | 67 | 89 Ų | 89 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.1 | -178.9 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | V251 Y252 T300 | V251-V302 WeakPolarHBondContact O-CA 3.39Å; Y252-V302 HydrophobicContact CD1-CB 4.36Å; Y252-V302 HydrophobicContact CD1-CG1 4.07Å; Y252-V302 HydrophobicContact CD1-CG2 3.43Å; Y252-V302 VanDerWaalsContact CD1-CG2 3.43Å; Y252-V302 HydrophobicContact CE1-CB 4.44Å; Y252-V302 HydrophobicContact CE1-CG1 3.88Å; Y252-V302 HydrophobicContact CE1-CG2 3.64Å; Y252-V302 HydrophobicContact CG-CG1 4.45Å; Y252-V302 HydrophobicContact CG-CG2 4.31Å; T300-V302 HydrophobicContact CG2-CG2 4.32Å |
| 303 | I | 90.9 | Very high | 72.5 | Confident | 10 Ų | 10 | 91.1 Ų | 91.1 | 5% | 0.051 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.2 | 178.1 | -160.9 | 162.9 | 0 | 0 | 0 | 110.9 | I151 V162 D163 V165 L250 V251 V305 | I151-I303 HydrophobicContact CB-CD1 4.11Å; I151-I303 HydrophobicContact CD1-CB 3.82Å; I151-I303 HydrophobicContact CD1-CD1 3.87Å; I151-I303 HydrophobicContact CD1-CG1 4.43Å; I151-I303 HydrophobicContact CD1-CG2 4Å; I151-I303 HydrophobicContact CG2-CD1 3.64Å; V162-I303 HydrophobicContact CG2-CD1 4.44Å; D163-I303 WeakPolarHBondContact O-CA 3.17Å; D163-I303 WeakPolarHBondContact O-CG1 3.25Å; V165-I303 HydrophobicContact CB-CD1 4.13Å; V165-I303 HydrophobicContact CG1-CD1 3.45Å; V165-I303 VanDerWaalsContact CG1-CD1 3.45Å; V165-I303 HydrophobicContact CG1-CG1 4.24Å; V165-I303 HydrophobicContact CG2-CD1 3.59Å; V165-I303 HydrophobicContact CG2-CG1 3.9Å; L250-I303 WeakPolarHBondContact CA-O 3.02Å; V251-I303 HydrophobicContact CB-CG2 3.9Å; V251-I303 PolarHBondContact N-O 2.67Å; V251-I303 PolarHBondContact O-N 3.17Å; I303-V305 HydrophobicContact CG2-CG2 4.41Å |
| 304 | R | 91.5 | Very high | 72.9 | Confident | 132 Ų | 132 | 90.6 Ų | 90.6 | 50% | 0.498 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 134.9 | 171.6 | -179.9 | 178.9 | -71.1 | 165.9 | -0.2 | 109.4 | D163 T164 V165 L250 | D163-R304 PolarHBondContact O-N 3.13Å; T164-R304 CarbonylContact C-O 3.53Å; T164-R304 VanDerWaalsContact CA-O 3.28Å; T164-R304 WeakPolarHBondContact CA-O 3.17Å; T164-R304 HydrophobicContact CG2-CB 4.38Å; T164-R304 HydrophobicContact CG2-CG 4.46Å; V165-R304 PolarHBondContact N-O 2.93Å; L250-R304 HydrophobicContact CD2-CB 3.86Å; L250-R304 HydrophobicContact CD2-CG 4.27Å |
| 305 | V | 90.4 | Very high | 72.6 | Confident | 1 Ų | 1 | 91.2 Ų | 91.2 | 1% | 0.006 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.5 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | V165 V167 F243 Q244 Q249 V251 I303 | V165-V305 HydrophobicContact CG2-CG2 3.89Å; V165-V305 CarbonylContact O-C 3.54Å; V165-V305 VanDerWaalsContact O-CA 3.25Å; V165-V305 WeakPolarHBondContact O-CA 3.48Å; V167-V305 HydrophobicContact CG2-CG1 3.61Å; F243-V305 WeakPolarHBondContact O-CG2 3.46Å; Q244-V305 HydrophobicContact CB-CB 3.97Å; Q244-V305 HydrophobicContact CB-CG1 4.09Å; Q244-V305 HydrophobicContact CB-CG2 4.5Å; Q244-V305 HydrophobicContact CG-CG1 4.46Å; Q249-V305 PolarHBondContact O-N 3.12Å; V251-V305 HydrophobicContact CG2-CG2 4.25Å; I303-V305 HydrophobicContact CG2-CG2 4.41Å |
| 306 | E | 88.5 | Confident | 71.6 | Confident | 92 Ų | 92 | 93.4 Ų | 93.4 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.2 | 177.4 | -65.3 | -172.7 | 168.9 | 0 | 0 | 110.3 | T164 V165 H166 V167 | T164-E306 HydrophobicContact CG2-CG 3.85Å; V165-E306 PolarHBondContact O-N 3.23Å; H166-E306 IonicContact NE2-OE2 3.47Å; V167-E306 PolarHBondContact N-O 3.26Å |
| 307 | Q | 75.9 | Confident | 69.8 | Low | 126 Ų | 126 | 94.7 Ų | 94.7 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 141 | 177.2 | -68.3 | -174.6 | -27.4 | 0 | 0 | 110.2 | ||
| 308 | Q | 66.6 | Low | 68.1 | Low | 149 Ų | 149 | 99.9 Ų | 99.9 | 70% | 0.696 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 138.6 | 172.1 | -167.2 | 169.6 | -26.7 | 0 | 0 | 109.7 | L310 | Q308-L310 VanDerWaalsContact O-CD1 3.31Å; Q308-L310 WeakPolarHBondContact O-CD1 3.48Å; Q308-L310 PolarHBondContact O-N 2.93Å |
| 309 | E | 61.9 | Low | 65.9 | Low | 188 Ų | 188 | 105 Ų | 105 | 88% | 0.879 | 56% | 0.563 | S | S | * | * | trans | -60.2 | 109.1 | 174.2 | -68 | -172.5 | 160.6 | 0 | 0 | 109.6 | Q311 | E309-Q311 PolarHBondContact O-N 2.88Š| ||
| 310 | L | 59.2 | Low | 63.4 | Low | 159 Ų | 159 | 113.4 Ų | 113.4 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 117 | 174.8 | -90.7 | 71.3 | 0 | 0 | 0 | 108.6 | Q308 S312 | Q308-L310 VanDerWaalsContact O-CD1 3.31Å; Q308-L310 WeakPolarHBondContact O-CD1 3.48Å; Q308-L310 PolarHBondContact O-N 2.93Å; L310-S312 PolarHBondContact O-N 2.76Å |
| 311 | Q | 55.3 | Low | 60.9 | Low | 186 Ų | 186 | 119.2 Ų | 119.2 | 87% | 0.869 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126.3 | 166.3 | -69.3 | -179.5 | -6.4 | 0 | 0 | 108.7 | E309 I313 | E309-Q311 PolarHBondContact O-N 2.88Å; Q311-I313 PolarHBondContact O-N 2.59Å; Q311-I313 VanDerWaalsContact O-N 3.13Å |
| 312 | S | 47.3 | Very low | 58.3 | Low | 103 Ų | 103 | 124.4 Ų | 124.4 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.7 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 109.4 | L310 V314 | L310-S312 PolarHBondContact O-N 2.76Å; S312-V314 PolarHBondContact O-N 2.71Å |
| 313 | I | 48.9 | Very low | 55.6 | Low | 163 Ų | 163 | 129.2 Ų | 129.2 | 84% | 0.836 | 68% | 0.678 | S | S | * | * | trans | -67.8 | 93 | 165.9 | -57.5 | 170.2 | 0 | 0 | 0 | 105.8 | Q311 P315 | Q311-I313 PolarHBondContact O-N 2.59Å; Q311-I313 VanDerWaalsContact O-N 3.13Å; I313-P315 WeakPolarHBondContact O-CD 3.31Å | ||
| 314 | V | 49.1 | Very low | 52.9 | Low | 101 Ų | 101 | 134.9 Ų | 134.9 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | trans | -61.9 | 119.8 | 166.5 | 179.7 | 0 | 0 | 0 | 0 | 105.4 | S312 T316 | S312-V314 PolarHBondContact O-N 2.71Å; V314-T316 PolarHBondContact O-N 2.84Å | ||
| 315 | P | 42.8 | Very low | 50.3 | Low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | -71.9 | 86.9 | -178.7 | 27.9 | -30.8 | 0 | 0 | 0 | 108.3 | I313 S317 | I313-P315 WeakPolarHBondContact O-CD 3.31Å; P315-S317 PolarHBondContact O-N 2.83Å | ||
| 316 | T | 40.7 | Very low | 47.7 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 123.8 | 164.6 | -55 | 0 | 0 | 0 | 0 | 106.9 | V314 | V314-T316 PolarHBondContact O-N 2.84Š| ||
| 317 | S | 36.8 | Very low | 45.4 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -39.8 | 145.5 | -175.9 | 51.1 | 0 | 0 | 0 | 0 | 114.2 | P315 Q319 | P315-S317 PolarHBondContact O-N 2.83Å; S317-Q319 PolarHBondContact O-N 3.5Å | ||
| 318 | P | 44.9 | Very low | 44 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -76.7 | 80.8 | -165.4 | 32.2 | -35.7 | 0 | 0 | 0 | 112 | ||
| 319 | Q | 39.1 | Very low | 43.5 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -142.5 | 136.6 | 153.7 | -69.1 | -164.5 | -25.7 | 0 | 0 | 108.2 | S317 | S317-Q319 PolarHBondContact O-N 3.5Š| ||
| 320 | E | 34 | Very low | 43.3 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | 89.4 | 63.8 | 175 | -50.3 | -164.1 | 144.6 | 0 | 0 | 117 | V322 | E320-V322 VanDerWaalsContact C-N 3.29Å; E320-V322 PolarHBondContact O-N 2.85Å | ||
| 321 | L | 35.4 | Very low | 43.9 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -75.3 | 78 | 149.4 | -178.7 | 76.4 | 0 | 0 | 0 | 109.2 | ||||
| 322 | V | 35.1 | Very low | 45 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | trans | -147.7 | 119.9 | 164.8 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | E320 | E320-V322 VanDerWaalsContact C-N 3.29Å; E320-V322 PolarHBondContact O-N 2.85Å | ||
| 323 | Q | 32.7 | Very low | 46.5 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 55.5 | 98.9 | 159.7 | -121.7 | 84.9 | -9 | 0 | 0 | 119 | A325 | Q323-A325 PolarHBondContact O-N 2.91Š| ||
| 324 | S | 34.7 | Very low | 48.1 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -54.4 | 80.3 | 154.7 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 325 | A | 37.5 | Very low | 49.8 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 60% | 0.603 | 74% | 0.744 | S | S | * | * | trans | -91.2 | 106.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q323 T327 | Q323-A325 PolarHBondContact O-N 2.91Å; A325-T327 VanDerWaalsContact C-N 3.34Å; A325-T327 PolarHBondContact O-N 2.84Å | ||
| 326 | R | 35 | Very low | 51.9 | Low | 232 Ų | 232 | 134.5 Ų | 134.5 | 88% | 0.875 | 73% | 0.725 | S | S | * | * | trans | -39 | 91.8 | 170.4 | -169.4 | -175.5 | -149.9 | 155.2 | 4.1 | 110.6 | ||||
| 327 | T | 40.6 | Very low | 54.3 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | trans | -93.4 | 116.5 | 169 | 31.5 | 0 | 0 | 0 | 0 | 105.2 | A325 E329 | A325-T327 VanDerWaalsContact C-N 3.34Å; A325-T327 PolarHBondContact O-N 2.84Å; T327-E329 PolarHBondContact O-N 2.89Å | ||
| 328 | E | 46.6 | Very low | 56.9 | Low | 149 Ų | 149 | 130.4 Ų | 130.4 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | trans | -65.5 | 103.6 | 173.2 | -62.7 | -141.1 | 148.1 | 0 | 0 | 107.6 | F330 | E328-F330 HydrophobicContact CB-CE2 4.41Å; E328-F330 WeakPolarHBondContact O-CD2 3.45Å; E328-F330 PolarHBondContact O-N 2.86Å | ||
| 329 | E | 55.3 | Low | 59.3 | Low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | trans | -65.6 | 100 | 175.9 | -72.4 | -179.7 | 156 | 0 | 0 | 108.6 | T327 C331 | T327-E329 PolarHBondContact O-N 2.89Å; E329-C331 PolarHBondContact O-N 2.86Å; E329-C331 VanDerWaalsContact O-N 3.09Å | ||
| 330 | F | 59.2 | Low | 61.9 | Low | 174 Ų | 174 | 125.8 Ų | 125.8 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | trans | -74.3 | 94.7 | 165.2 | -75.1 | -83.1 | 0 | 0 | 0 | 108.4 | E328 I332 | E328-F330 HydrophobicContact CB-CE2 4.41Å; E328-F330 WeakPolarHBondContact O-CD2 3.45Å; E328-F330 PolarHBondContact O-N 2.86Å; F330-I332 PolarHBondContact O-N 2.73Å; F330-I332 VanDerWaalsContact O-N 3.15Å | ||
| 331 | C | 71.9 | Confident | 64.7 | Low | 120 Ų | 120 | 122.7 Ų | 122.7 | 81% | 0.811 | 66% | 0.656 | S | S | * | * | trans | -66.6 | 108.8 | 171.1 | -64.5 | 0 | 0 | 0 | 0 | 109.5 | E329 | E329-C331 PolarHBondContact O-N 2.86Å; E329-C331 VanDerWaalsContact O-N 3.09Å | ||
| 332 | I | 76.8 | Confident | 67.5 | Low | 106 Ų | 106 | 117.6 Ų | 117.6 | 54% | 0.544 | 63% | 0.633 | S | S | . | * | trans | -93.7 | 123.4 | 168.4 | -63 | 173.1 | 0 | 0 | 0 | 107.1 | F330 L334 V336 A337 | F330-I332 PolarHBondContact O-N 2.73Å; F330-I332 VanDerWaalsContact O-N 3.15Å; I332-L334 PolarHBondContact O-N 2.76Å; I332-V336 HydrophobicContact CG2-CB 3.76Å; I332-V336 HydrophobicContact CG2-CG1 3.75Å; I332-A337 HydrophobicContact CG2-CB 4.43Å | ||
| 333 | D | 78.6 | Confident | 70.4 | Confident | 100 Ų | 100 | 116.2 Ų | 116.2 | 54% | 0.535 | 62% | 0.624 | S | S | . | * | trans | -53.3 | 135.2 | 174.8 | -175.5 | -4.9 | 0 | 0 | 0 | 109.9 | T335 V336 A337 | D333-T335 PolarHBondContact O-N 2.82Å; D333-T335 VanDerWaalsContact O-N 3.09Å; D333-T335 PolarHBondContact OD1-N 3.44Å; D333-T335 PolarHBondContact OD1-OG1 2.93Å; D333-T335 PolarHBondContact OD2-OG1 3.3Å; D333-V336 HydrophobicContact CB-CG2 4.16Å; D333-V336 WeakPolarHBondContact O-CA 3.45Å; D333-V336 WeakPolarHBondContact O-CB 3.29Å; D333-V336 PolarHBondContact O-N 2.91Å; D333-A337 PolarHBondContact O-N 3.15Å | ||
| 334 | L | 83.9 | Confident | 73.4 | Confident | 128 Ų | 128 | 114.7 Ų | 114.7 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51.9 | -35.4 | -179.3 | -179 | 65.3 | 0 | 0 | 0 | 111.4 | I332 A337 I338 | I332-L334 PolarHBondContact O-N 2.76Å; L334-A337 PolarHBondContact O-N 3.03Å; L334-I338 HydrophobicContact CD1-CD1 4.38Å; L334-I338 HydrophobicContact CG-CD1 4.04Å; L334-I338 VanDerWaalsContact O-CG1 3.26Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 2.95Å |
| 335 | T | 84.3 | Confident | 76.3 | Confident | 79 Ų | 79 | 110.8 Ų | 110.8 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -42.7 | 176.3 | 61.7 | 0 | 0 | 0 | 0 | 112 | D333 I338 L339 | D333-T335 PolarHBondContact O-N 2.82Å; D333-T335 VanDerWaalsContact O-N 3.09Å; D333-T335 PolarHBondContact OD1-N 3.44Å; D333-T335 PolarHBondContact OD1-OG1 2.93Å; D333-T335 PolarHBondContact OD2-OG1 3.3Å; T335-I338 PolarHBondContact O-N 3.4Å; T335-L339 WeakPolarHBondContact O-CG 3.49Å; T335-L339 PolarHBondContact O-N 2.85Å; T335-L339 VanDerWaalsContact O-N 3.07Å |
| 336 | V | 87.4 | Confident | 79.1 | Confident | 64 Ų | 64 | 111.2 Ų | 111.2 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69 | -41.1 | 177.5 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | I332 D333 I338 L339 L340 | I332-V336 HydrophobicContact CG2-CB 3.76Å; I332-V336 HydrophobicContact CG2-CG1 3.75Å; D333-V336 HydrophobicContact CB-CG2 4.16Å; D333-V336 WeakPolarHBondContact O-CA 3.45Å; D333-V336 WeakPolarHBondContact O-CB 3.29Å; D333-V336 PolarHBondContact O-N 2.91Å; V336-I338 VanDerWaalsContact C-N 3.34Å; V336-I338 PolarHBondContact O-N 3.25Å; V336-L339 PolarHBondContact O-N 2.84Å; V336-L340 HydrophobicContact CG1-CD1 4.08Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 2.82Å |
| 337 | A | 89.8 | Confident | 82 | Confident | 34 Ų | 34 | 103.8 Ų | 103.8 | 28% | 0.281 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.3 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | I332 D333 L334 L340 L341 | I332-A337 HydrophobicContact CG2-CB 4.43Å; D333-A337 PolarHBondContact O-N 3.15Å; L334-A337 PolarHBondContact O-N 3.03Å; A337-L340 PolarHBondContact O-N 3.19Å; A337-L341 WeakPolarHBondContact O-CG 3.46Å; A337-L341 PolarHBondContact O-N 3.04Å |
| 338 | I | 92 | Very high | 84.6 | Confident | 93 Ų | 93 | 100.5 Ų | 100.5 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.5 | -66.7 | 165.3 | 0 | 0 | 0 | 110.8 | L334 T335 V336 L340 L341 T342 | L334-I338 HydrophobicContact CD1-CD1 4.38Å; L334-I338 HydrophobicContact CG-CD1 4.04Å; L334-I338 VanDerWaalsContact O-CG1 3.26Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 2.95Å; T335-I338 PolarHBondContact O-N 3.4Å; V336-I338 VanDerWaalsContact C-N 3.34Å; V336-I338 PolarHBondContact O-N 3.25Å; I338-L340 PolarHBondContact O-N 2.98Å; I338-L341 PolarHBondContact O-N 2.9Å; I338-T342 HydrophobicContact CG2-CG2 4.35Å; I338-T342 VanDerWaalsContact O-CG2 3.28Å; I338-T342 WeakPolarHBondContact O-CG2 3.19Å; I338-T342 PolarHBondContact O-N 2.83Å; I338-T342 PolarHBondContact O-OG1 3.29Å; I338-T342 VanDerWaalsContact O-OG1 3.08Å |
| 339 | L | 94.3 | Very high | 87 | Confident | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 176.8 | -73.5 | 170.8 | 0 | 0 | 0 | 112 | T335 V336 T342 V343 | T335-L339 WeakPolarHBondContact O-CG 3.49Å; T335-L339 PolarHBondContact O-N 2.85Å; T335-L339 VanDerWaalsContact O-N 3.07Å; V336-L339 PolarHBondContact O-N 2.84Å; L339-T342 WeakPolarHBondContact CA-OG1 3.27Å; L339-T342 PolarHBondContact O-N 2.76Å; L339-T342 PolarHBondContact O-OG1 3.23Å; L339-V343 VanDerWaalsContact O-CG2 3.25Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 2.8Å |
| 340 | L | 93.9 | Very high | 88.9 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 177.6 | -70.4 | 173.5 | 0 | 0 | 0 | 112.4 | V336 A337 I338 V343 F344 | V336-L340 HydrophobicContact CG1-CD1 4.08Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 2.82Å; A337-L340 PolarHBondContact O-N 3.19Å; I338-L340 PolarHBondContact O-N 2.98Å; L340-V343 PolarHBondContact O-N 2.81Å; L340-F344 WeakPolarHBondContact O-CB 3.5Å; L340-F344 PolarHBondContact O-N 2.89Å |
| 341 | L | 94.6 | Very high | 90.6 | Very high | 122 Ų | 122 | 90.5 Ų | 90.5 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 178 | -73.3 | 173.6 | 0 | 0 | 0 | 112.3 | A337 I338 F344 A345 | A337-L341 WeakPolarHBondContact O-CG 3.46Å; A337-L341 PolarHBondContact O-N 3.04Å; I338-L341 PolarHBondContact O-N 2.9Å; L341-F344 PolarHBondContact O-N 3.25Å; L341-A345 WeakPolarHBondContact O-CB 3.02Å; L341-A345 PolarHBondContact O-N 2.85Å |
| 342 | T | 94 | Very high | 91.6 | Very high | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.1 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | I338 L339 F344 A345 V346 | I338-T342 HydrophobicContact CG2-CG2 4.35Å; I338-T342 VanDerWaalsContact O-CG2 3.28Å; I338-T342 WeakPolarHBondContact O-CG2 3.19Å; I338-T342 PolarHBondContact O-N 2.83Å; I338-T342 PolarHBondContact O-OG1 3.29Å; I338-T342 VanDerWaalsContact O-OG1 3.08Å; L339-T342 WeakPolarHBondContact CA-OG1 3.27Å; L339-T342 PolarHBondContact O-N 2.76Å; L339-T342 PolarHBondContact O-OG1 3.23Å; T342-F344 PolarHBondContact O-N 2.81Å; T342-A345 PolarHBondContact O-N 2.97Å; T342-V346 WeakPolarHBondContact O-CG2 3.46Å; T342-V346 PolarHBondContact O-N 3.45Å |
| 343 | V | 95.6 | Very high | 92.3 | Very high | 92 Ų | 92 | 87.9 Ų | 87.9 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 174.7 | 172 | 0 | 0 | 0 | 0 | 110.8 | L339 L340 A345 V346 V347 | L339-V343 VanDerWaalsContact O-CG2 3.25Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 2.8Å; L340-V343 PolarHBondContact O-N 2.81Å; V343-A345 PolarHBondContact O-N 2.76Å; V343-V346 PolarHBondContact O-N 2.95Å; V343-V347 WeakPolarHBondContact O-CG2 3.46Å; V343-V347 PolarHBondContact O-N 3.5Å |
| 344 | F | 95.8 | Very high | 93 | Very high | 137 Ų | 137 | 87.7 Ų | 87.7 | 60% | 0.601 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 177.8 | -174 | -100.6 | 0 | 0 | 0 | 112 | L340 L341 T342 V346 V347 C348 | L340-F344 WeakPolarHBondContact O-CB 3.5Å; L340-F344 PolarHBondContact O-N 2.89Å; L341-F344 PolarHBondContact O-N 3.25Å; T342-F344 PolarHBondContact O-N 2.81Å; F344-V346 VanDerWaalsContact C-N 3.35Å; F344-V346 PolarHBondContact O-N 3.31Å; F344-V347 PolarHBondContact O-N 3.48Å; F344-C348 VanDerWaalsContact CE1-SG 3.59Å; F344-C348 PolarHBondContact O-N 2.99Å; F344-C348 PolarHBondContact O-SG 3.36Å; F344-C348 VanDerWaalsContact O-SG 3.36Å |
| 345 | A | 95.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 86.9 Ų | 86.9 | 40% | 0.397 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L341 T342 V343 C348 L349 | L341-A345 WeakPolarHBondContact O-CB 3.02Å; L341-A345 PolarHBondContact O-N 2.85Å; T342-A345 PolarHBondContact O-N 2.97Å; V343-A345 PolarHBondContact O-N 2.76Å; A345-C348 PolarHBondContact O-N 2.88Å; A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.5Å; A345-L349 PolarHBondContact O-N 2.86Å |
| 346 | V | 96 | Very high | 93.4 | Very high | 82 Ų | 82 | 87 Ų | 87 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | T342 V343 F344 C348 L349 L350 | T342-V346 WeakPolarHBondContact O-CG2 3.46Å; T342-V346 PolarHBondContact O-N 3.45Å; V343-V346 PolarHBondContact O-N 2.95Å; F344-V346 VanDerWaalsContact C-N 3.35Å; F344-V346 PolarHBondContact O-N 3.31Å; V346-C348 PolarHBondContact O-N 3.07Å; V346-L349 PolarHBondContact O-N 3.04Å; V346-L350 HydrophobicContact CG1-CD1 4.05Å; V346-L350 HydrophobicContact CG1-CG 4.47Å; V346-L350 WeakPolarHBondContact O-CG 3.35Å; V346-L350 PolarHBondContact O-N 3.11Å |
| 347 | V | 96.3 | Very high | 93.5 | Very high | 75 Ų | 75 | 91 Ų | 91 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.9 | 173 | 0 | 0 | 0 | 0 | 110.9 | V343 F344 L349 L350 C351 | V343-V347 WeakPolarHBondContact O-CG2 3.46Å; V343-V347 PolarHBondContact O-N 3.5Å; F344-V347 PolarHBondContact O-N 3.48Å; V347-L349 PolarHBondContact O-N 3.05Å; V347-L350 PolarHBondContact O-N 2.85Å; V347-C351 PolarHBondContact O-N 3.17Å; V347-C351 PolarHBondContact O-SG 2.97Å |
| 348 | C | 95.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 93.2 Ų | 93.2 | 33% | 0.331 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 176.6 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | F344 A345 V346 L350 C351 L352 | F344-C348 VanDerWaalsContact CE1-SG 3.59Å; F344-C348 PolarHBondContact O-N 2.99Å; F344-C348 PolarHBondContact O-SG 3.36Å; F344-C348 VanDerWaalsContact O-SG 3.36Å; A345-C348 PolarHBondContact O-N 2.88Å; V346-C348 PolarHBondContact O-N 3.07Å; C348-L350 VanDerWaalsContact C-N 3.35Å; C348-L350 PolarHBondContact O-N 2.82Å; C348-C351 PolarHBondContact O-N 2.71Å; C348-L352 VanDerWaalsContact O-CG 3.29Å; C348-L352 WeakPolarHBondContact O-CG 3.48Å; C348-L352 PolarHBondContact O-N 3.47Å |
| 349 | L | 95.6 | Very high | 93.1 | Very high | 117 Ų | 117 | 92.4 Ų | 92.4 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 176.9 | -70.6 | 171.4 | 0 | 0 | 0 | 111.9 | A345 V346 V347 L352 S353 | A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.5Å; A345-L349 PolarHBondContact O-N 2.86Å; V346-L349 PolarHBondContact O-N 3.04Å; V347-L349 PolarHBondContact O-N 3.05Å; L349-L352 PolarHBondContact O-N 3.23Å; L349-S353 WeakPolarHBondContact O-CB 3.23Å; L349-S353 PolarHBondContact O-N 2.94Å |
| 350 | L | 95.6 | Very high | 92.6 | Very high | 97 Ų | 97 | 96.8 Ų | 96.8 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 174.9 | -71.8 | 171.6 | 0 | 0 | 0 | 111.3 | V346 V347 C348 L352 S353 I354 | V346-L350 HydrophobicContact CG1-CD1 4.05Å; V346-L350 HydrophobicContact CG1-CG 4.47Å; V346-L350 WeakPolarHBondContact O-CG 3.35Å; V346-L350 PolarHBondContact O-N 3.11Å; V347-L350 PolarHBondContact O-N 2.85Å; C348-L350 VanDerWaalsContact C-N 3.35Å; C348-L350 PolarHBondContact O-N 2.82Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.9Å; L350-S353 PolarHBondContact O-N 3.31Å; L350-S353 PolarHBondContact O-OG 3.22Å; L350-I354 VanDerWaalsContact O-CG1 3.29Å; L350-I354 WeakPolarHBondContact O-CG1 2.94Å; L350-I354 PolarHBondContact O-N 3.07Å |
| 351 | C | 94.4 | Very high | 91.9 | Very high | 69 Ų | 69 | 99.3 Ų | 99.3 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.4 | -69.7 | 0 | 0 | 0 | 0 | 112 | V347 C348 I354 M355 | V347-C351 PolarHBondContact O-N 3.17Å; V347-C351 PolarHBondContact O-SG 2.97Å; C348-C351 PolarHBondContact O-N 2.71Å; C351-I354 PolarHBondContact O-N 3.1Å; C351-M355 WeakPolarHBondContact O-CB 3.28Å; C351-M355 VanDerWaalsContact O-CG 3.28Å; C351-M355 WeakPolarHBondContact O-CG 3.44Å; C351-M355 PolarHBondContact O-N 2.94Å |
| 352 | L | 93.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | 176.6 | -69.5 | 172.5 | 0 | 0 | 0 | 111.9 | C348 L349 L350 M355 T356 | C348-L352 VanDerWaalsContact O-CG 3.29Å; C348-L352 WeakPolarHBondContact O-CG 3.48Å; C348-L352 PolarHBondContact O-N 3.47Å; L349-L352 PolarHBondContact O-N 3.23Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 2.9Å; L352-M355 PolarHBondContact O-N 3.32Å; L352-T356 WeakPolarHBondContact O-CB 3.26Å; L352-T356 WeakPolarHBondContact O-CG2 3.41Å; L352-T356 PolarHBondContact O-N 2.02Å; L352-T356 PolarHBondContact O-OG1 2.87Å |
| 353 | S | 91 | Very high | 89.2 | Confident | 61 Ų | 61 | 103.4 Ų | 103.4 | 43% | 0.427 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.8 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | L349 L350 T356 Y357 | L349-S353 WeakPolarHBondContact O-CB 3.23Å; L349-S353 PolarHBondContact O-N 2.94Å; L350-S353 PolarHBondContact O-N 3.31Å; L350-S353 PolarHBondContact O-OG 3.22Å; S353-T356 WeakPolarHBondContact CA-OG1 3.23Å; S353-T356 PolarHBondContact O-OG1 2.8Å; S353-Y357 VanDerWaalsContact O-CB 3.31Å; S353-Y357 WeakPolarHBondContact O-CB 3.47Å; S353-Y357 PolarHBondContact O-N 3.42Å |
| 354 | I | 92.7 | Very high | 87.6 | Confident | 96 Ų | 96 | 106 Ų | 106 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 175.6 | -66.7 | 165.4 | 0 | 0 | 0 | 110.7 | L350 C351 T356 Y357 L358 | L350-I354 VanDerWaalsContact O-CG1 3.29Å; L350-I354 WeakPolarHBondContact O-CG1 2.94Å; L350-I354 PolarHBondContact O-N 3.07Å; C351-I354 PolarHBondContact O-N 3.1Å; I354-T356 PolarHBondContact O-N 2.95Å; I354-Y357 WeakPolarHBondContact O-CB 3.35Å; I354-Y357 PolarHBondContact O-N 3.24Å; I354-L358 HydrophobicContact CG2-CD1 3.83Å; I354-L358 HydrophobicContact CG2-CG 4.3Å; I354-L358 WeakPolarHBondContact O-CB 3.47Å; I354-L358 VanDerWaalsContact O-CG 3.32Å; I354-L358 WeakPolarHBondContact O-CG 3.29Å; I354-L358 PolarHBondContact O-N 3.44Å |
| 355 | M | 89.7 | Confident | 85.8 | Confident | 110 Ų | 110 | 105.7 Ų | 105.7 | 54% | 0.542 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 178.4 | -73.5 | -59 | -65.3 | 0 | 0 | 112 | C351 L352 Y357 L358 C359 | C351-M355 WeakPolarHBondContact O-CB 3.28Å; C351-M355 VanDerWaalsContact O-CG 3.28Å; C351-M355 WeakPolarHBondContact O-CG 3.44Å; C351-M355 PolarHBondContact O-N 2.94Å; L352-M355 PolarHBondContact O-N 3.32Å; M355-Y357 VanDerWaalsContact C-N 3.34Å; M355-Y357 PolarHBondContact O-N 2.89Å; M355-L358 PolarHBondContact O-N 2.92Å; M355-C359 WeakPolarHBondContact O-CB 3.37Å; M355-C359 PolarHBondContact O-N 3.42Å; M355-C359 PolarHBondContact O-SG 3.16Å; M355-C359 VanDerWaalsContact O-SG 3.4Å |
| 356 | T | 88.4 | Confident | 83.6 | Confident | 83 Ų | 83 | 108.4 Ų | 108.4 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.7 | -36.1 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | L352 S353 I354 R360 | L352-T356 WeakPolarHBondContact O-CB 3.26Å; L352-T356 WeakPolarHBondContact O-CG2 3.41Å; L352-T356 PolarHBondContact O-N 2.02Å; L352-T356 PolarHBondContact O-OG1 2.87Å; S353-T356 WeakPolarHBondContact CA-OG1 3.23Å; S353-T356 PolarHBondContact O-OG1 2.8Å; I354-T356 PolarHBondContact O-N 2.95Å; T356-R360 WeakPolarHBondContact O-CB 3.26Å; T356-R360 WeakPolarHBondContact O-CG 3.34Å; T356-R360 PolarHBondContact O-N 2.86Å |
| 357 | Y | 89.2 | Confident | 81.3 | Confident | 148 Ų | 148 | 110.1 Ų | 110.1 | 58% | 0.58 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.4 | -46.5 | 172.8 | -177.4 | -99.4 | 0 | 0 | 0 | 112 | S353 I354 M355 R360 R361 | S353-Y357 VanDerWaalsContact O-CB 3.31Å; S353-Y357 WeakPolarHBondContact O-CB 3.47Å; S353-Y357 PolarHBondContact O-N 3.42Å; I354-Y357 WeakPolarHBondContact O-CB 3.35Å; I354-Y357 PolarHBondContact O-N 3.24Å; M355-Y357 VanDerWaalsContact C-N 3.34Å; M355-Y357 PolarHBondContact O-N 2.89Å; Y357-R360 PolarHBondContact O-N 3.21Å; Y357-R361 WeakPolarHBondContact O-CB 3.1Å; Y357-R361 PolarHBondContact O-N 3.12Å |
| 358 | L | 88 | Confident | 78.5 | Confident | 79 Ų | 79 | 115.9 Ų | 115.9 | 41% | 0.414 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.2 | -43.2 | 176.6 | -72.3 | 170.4 | 0 | 0 | 0 | 111.8 | I354 M355 R361 L362 | I354-L358 HydrophobicContact CG2-CD1 3.83Å; I354-L358 HydrophobicContact CG2-CG 4.3Å; I354-L358 WeakPolarHBondContact O-CB 3.47Å; I354-L358 VanDerWaalsContact O-CG 3.32Å; I354-L358 WeakPolarHBondContact O-CG 3.29Å; I354-L358 PolarHBondContact O-N 3.44Å; M355-L358 PolarHBondContact O-N 2.92Å; L358-R361 PolarHBondContact O-N 2.99Å; L358-L362 WeakPolarHBondContact O-CB 3.49Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.43Å |
| 359 | C | 84.7 | Confident | 75.8 | Confident | 76 Ų | 76 | 121.2 Ų | 121.2 | 51% | 0.514 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.6 | -43.2 | 175 | -77.6 | 0 | 0 | 0 | 0 | 112.1 | M355 R361 L362 L363 | M355-C359 WeakPolarHBondContact O-CB 3.37Å; M355-C359 PolarHBondContact O-N 3.42Å; M355-C359 PolarHBondContact O-SG 3.16Å; M355-C359 VanDerWaalsContact O-SG 3.4Å; C359-R361 VanDerWaalsContact C-N 3.29Å; C359-R361 PolarHBondContact O-N 3.33Å; C359-L362 PolarHBondContact O-N 3.26Å; C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 PolarHBondContact O-N 2.99Å |
| 360 | R | 84.1 | Confident | 73.2 | Confident | 202 Ų | 202 | 120.6 Ų | 120.6 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.5 | -37.6 | 175.5 | -78.2 | -179 | 177.4 | -174.6 | 0.6 | 111.9 | T356 Y357 N364 | T356-R360 WeakPolarHBondContact O-CB 3.26Å; T356-R360 WeakPolarHBondContact O-CG 3.34Å; T356-R360 PolarHBondContact O-N 2.86Å; Y357-R360 PolarHBondContact O-N 3.21Å; R360-N364 PolarHBondContact O-N 3.43Å |
| 361 | R | 80.5 | Confident | 70.3 | Confident | 159 Ų | 159 | 125.6 Ų | 125.6 | 60% | 0.6 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.8 | -42.7 | 178.2 | -158.9 | 177.3 | -177.4 | -172.8 | 1.1 | 111.8 | Y357 L358 C359 N364 | Y357-R361 WeakPolarHBondContact O-CB 3.1Å; Y357-R361 PolarHBondContact O-N 3.12Å; L358-R361 PolarHBondContact O-N 2.99Å; C359-R361 VanDerWaalsContact C-N 3.29Å; C359-R361 PolarHBondContact O-N 3.33Å; R361-N364 PolarHBondContact O-N 2.91Å |
| 362 | L | 67.5 | Low | 67.3 | Low | 128 Ų | 128 | 126.9 Ų | 126.9 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.7 | -37.7 | 175 | -74.9 | 169.3 | 0 | 0 | 0 | 112.4 | L358 C359 N364 D365 | L358-L362 WeakPolarHBondContact O-CB 3.49Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.43Å; C359-L362 PolarHBondContact O-N 3.26Å; L362-N364 PolarHBondContact O-N 2.72Å; L362-D365 PolarHBondContact O-N 2.84Å |
| 363 | L | 63.5 | Low | 64.5 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.7 | -27.2 | 177.6 | -160 | 74.9 | 0 | 0 | 0 | 112.2 | C359 D365 | C359-L363 WeakPolarHBondContact O-CB 3.49Å; C359-L363 PolarHBondContact O-N 2.99Å; L363-D365 VanDerWaalsContact C-N 3.29Å; L363-D365 PolarHBondContact O-N 3.35Å |
| 364 | N | 61.8 | Low | 61.7 | Low | 146 Ų | 146 | 129.8 Ų | 129.8 | 78% | 0.781 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -9.5 | 178.7 | -148.7 | 50.8 | 0 | 0 | 0 | 113.5 | R360 R361 L362 | R360-N364 PolarHBondContact O-N 3.43Å; R361-N364 PolarHBondContact O-N 2.91Å; L362-N364 PolarHBondContact O-N 2.72Å |
| 365 | D | 58.7 | Low | 59 | Low | 131 Ų | 131 | 131.1 Ų | 131.1 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 7.3 | -173.6 | -98.7 | -11.5 | 0 | 0 | 0 | 115 | L362 L363 | L362-D365 PolarHBondContact O-N 2.84Å; L363-D365 VanDerWaalsContact C-N 3.29Å; L363-D365 PolarHBondContact O-N 3.35Å |
| 366 | S | 49.3 | Very low | 56.5 | Low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 120.2 | 173.9 | -92.7 | 0 | 0 | 0 | 0 | 113 | ||
| 367 | P | 47.1 | Very low | 54.2 | Low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 155.9 | -171 | 33.3 | -35.3 | 0 | 0 | 0 | 112.9 | D369 | P367-D369 PolarHBondContact O-N 3.43Š|
| 368 | K | 36.8 | Very low | 51.8 | Low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 119.1 | 172.9 | -66.7 | 170.3 | 176.9 | 172.4 | 0 | 110.4 | ||
| 369 | D | 38.9 | Very low | 49.7 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -151 | 108.8 | 147.5 | -87.5 | -34.7 | 0 | 0 | 0 | 109.2 | P367 | P367-D369 PolarHBondContact O-N 3.43Š| ||
| 370 | P | 41.8 | Very low | 47.7 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -99.3 | 128.6 | 173.7 | 33.5 | -24 | 0 | 0 | 0 | 109.7 | ||||
| 371 | F | 35.2 | Very low | 45.7 | Very low | 201 Ų | 201 | 134.4 Ų | 134.4 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 173.4 | 90.2 | 149 | -93.9 | -67.5 | 0 | 0 | 0 | 106.6 | ||||
| 372 | S | 31 | Very low | 43.7 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | 83.5 | 141.9 | 85 | 82.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 373 | S | 34.8 | Very low | 42.4 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 90.2 | 100.3 | 170.1 | 75.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 374 | C | 31.8 | Very low | 41.3 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | 64.9 | 102.6 | 57.8 | -59.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 375 | S | 36.6 | Very low | 40.1 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | 179.7 | 123.2 | 115.6 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 376 | V | 36.7 | Very low | 39 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -102.8 | 132.5 | 178.1 | 167 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 377 | S | 41.2 | Very low | 38.7 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | -120.1 | 121.3 | 170.4 | 42.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 378 | T | 38.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 75% | 0.748 | 84% | 0.843 | S | S | * | * | trans | -86.6 | 136.9 | -172.8 | -33.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 379 | P | 43.8 | Very low | 38.3 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | -104.1 | 128.2 | 172.4 | 34.2 | -25 | 0 | 0 | 0 | 111.4 | ||||
| 380 | T | 42.3 | Very low | 38.3 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | trans | -140.6 | 104.1 | 164 | 46 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 381 | S | 41.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 88% | 0.881 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 116.6 | 164.7 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 382 | R | 39.5 | Very low | 38.3 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 132.8 | 173.1 | -112.3 | -178.4 | -172.8 | 176.7 | 2.3 | 109.1 | ||
| 383 | T | 39.2 | Very low | 38.8 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 88% | 0.877 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.5 | 168 | 28.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 384 | S | 41.6 | Very low | 39 | Very low | 116 Ų | 116 | 155.8 Ų | 155.8 | 81% | 0.811 | 87% | 0.869 | S | S | * | * | trans | -125.8 | 123 | 166.9 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 385 | Y | 35.3 | Very low | 39.6 | Very low | 229 Ų | 229 | 158.1 Ų | 158.1 | 90% | 0.898 | 87% | 0.87 | S | S | * | * | trans | -53.3 | 142.6 | 162.2 | -91.8 | -107.8 | 0 | 0 | 0 | 112.2 | ||||
| 386 | S | 36.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 160.9 Ų | 160.9 | 79% | 0.79 | 87% | 0.87 | S | S | * | * | -177.3 | 122.5 | 123.2 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 387 | R | 42.2 | Very low | 40.1 | Very low | 323 Ų | 323 | 162.7 Ų | 162.7 | 100% | 1.219 | 87% | 0.872 | S | S | * | * | trans | 76.8 | 0 | 157.7 | -142.7 | 178.8 | -114.3 | -179.2 | -1.9 | 119.7 |
Retrieved 387 of 387 residues in 153.2 ms
(Link to these results)