| 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 | 35.9 | Very low | 70.6 | Confident | 239 Ų | 239 | 109.9 Ų | 109.9 | 100% | 1.177 | 60% | 0.595 | S | S | * | * | 0 | 133.6 | 0 | -74.4 | 155.1 | 169.2 | 0 | 0 | 104.7 | |||||
| 2 | A | 37.6 | Very low | 72.6 | Confident | 93 Ų | 93 | 101.3 Ų | 101.3 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | trans | -71.3 | 132 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | D4 | A2-D4 PolarHBondContact O-N 3.01Š| ||
| 3 | D | 42.9 | Very low | 74.2 | Confident | 152 Ų | 152 | 101.2 Ų | 101.2 | 81% | 0.813 | 54% | 0.541 | S | S | * | . | trans | -71.3 | 120.2 | 160.1 | -68.5 | -47.2 | 0 | 0 | 0 | 105.7 | D5 | D3-D5 PolarHBondContact O-N 3.42Š| ||
| 4 | D | 52 | Low | 75.5 | Confident | 149 Ų | 149 | 97.5 Ų | 97.5 | 80% | 0.797 | 52% | 0.521 | S | S | * | . | trans | -68.7 | 114.7 | 167.7 | -69.4 | -45.5 | 0 | 0 | 0 | 106.5 | A2 I6 | A2-D4 PolarHBondContact O-N 3.01Å; D4-I6 PolarHBondContact O-N 3.46Å | ||
| 5 | D | 73.1 | Confident | 76.6 | Confident | 147 Ų | 147 | 92.3 Ų | 92.3 | 79% | 0.786 | 50% | 0.495 | S | S | * | . | trans | -60.6 | 104.6 | -178.9 | -82.3 | -43 | 0 | 0 | 0 | 109.6 | D3 L7 | D3-D5 PolarHBondContact O-N 3.42Å; D5-L7 PolarHBondContact O-N 3.21Å; D5-L7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | I | 81.7 | Confident | 77.2 | Confident | 117 Ų | 117 | 92.4 Ų | 92.4 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | trans | -60.2 | 114.9 | -178.5 | -58.6 | 176.3 | 0 | 0 | 0 | 109.1 | D4 D10 V11 | D4-I6 PolarHBondContact O-N 3.46Å; I6-D10 HydrophobicContact CG2-CB 4.32Å; I6-V11 HydrophobicContact CG2-CG2 3.38Å | ||
| 7 | L | 88.1 | Confident | 77.5 | Confident | 73 Ų | 73 | 89.6 Ų | 89.6 | 38% | 0.382 | 48% | 0.479 | S | S | . | . | trans | -80.4 | 157.2 | -178.4 | -57.2 | 178.5 | 0 | 0 | 0 | 110.4 | D5 E9 D10 | D5-L7 PolarHBondContact O-N 3.21Å; D5-L7 VanDerWaalsContact O-N 3.11Å; L7-E9 PolarHBondContact O-N 2.72Å; L7-D10 WeakPolarHBondContact CB-OD2 3.35Å; L7-D10 PolarHBondContact N-OD2 3.06Å; L7-D10 WeakPolarHBondContact O-CB 3.46Å; L7-D10 PolarHBondContact O-N 2.71Å; L7-D10 VanDerWaalsContact O-N 3.16Å | ||
| 8 | F | 91.1 | Very high | 77.7 | Confident | 3 Ų | 3 | 89.1 Ų | 89.1 | 1% | 0.013 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -54 | -39.4 | 174.8 | 171.8 | -92.9 | 0 | 0 | 0 | 111.8 | D10 V11 Y12 L14 C29 V40 Y81 Y88 V90 | F8-D10 VanDerWaalsContact C-N 3.29Å; F8-D10 PolarHBondContact O-N 2.85Å; F8-V11 PolarHBondContact O-N 3.43Å; F8-Y12 AromaticContact CD2-CD2 3.95Å; F8-Y12 HydrophobicContact CD2-CD2 3.95Å; F8-Y12 HydrophobicContact CD2-CG 4.32Å; F8-Y12 AromaticContact CE2-CD2 3.75Å; F8-Y12 HydrophobicContact CE2-CD2 3.75Å; F8-Y12 AromaticContact CE2-CG 3.72Å; F8-Y12 HydrophobicContact CE2-CG 3.72Å; F8-Y12 HydrophobicContact CZ-CD2 4.5Å; F8-Y12 HydrophobicContact CZ-CG 4.05Å; F8-Y12 WeakPolarHBondContact O-CB 3.36Å; F8-Y12 PolarHBondContact O-N 3.34Å; F8-L14 HydrophobicContact CE1-CD1 4.39Å; F8-L14 HydrophobicContact CE1-CD2 3.44Å; F8-L14 VanDerWaalsContact CE1-CD2 3.44Å; F8-L14 HydrophobicContact CE1-CG 3.76Å; F8-L14 HydrophobicContact CZ-CD2 3.64Å; F8-L14 HydrophobicContact CZ-CG 4.4Å; F8-C29 HydrophobicContact CZ-CB 4.26Å; F8-V40 HydrophobicContact CD2-CG2 4.47Å; F8-V40 HydrophobicContact CE2-CB 4.12Å; F8-V40 HydrophobicContact CE2-CG1 4.39Å; F8-V40 HydrophobicContact CE2-CG2 3.75Å; F8-V40 HydrophobicContact CZ-CB 4.15Å; F8-V40 HydrophobicContact CZ-CG1 3.91Å; F8-V40 HydrophobicContact CZ-CG2 4.04Å; F8-Y81 HydrophobicContact CB-CD1 4.29Å; F8-Y81 HydrophobicContact CB-CD2 4.18Å; F8-Y81 HydrophobicContact CB-CG 3.88Å; F8-Y81 AromaticContact CD2-CD2 3.8Å; F8-Y81 HydrophobicContact CD2-CD2 3.8Å; F8-Y81 HydrophobicContact CD2-CE2 4.16Å; F8-Y81 HydrophobicContact CD2-CG 4.36Å; F8-Y81 HydrophobicContact CG-CD2 4.49Å; F8-Y88 HydrophobicContact CB-CD1 4.17Å; F8-Y88 HydrophobicContact CB-CD2 4.39Å; F8-Y88 HydrophobicContact CB-CE1 4.46Å; F8-Y88 HydrophobicContact CB-CG 4.15Å; F8-Y88 AromaticContact CD1-CD1 3.62Å; F8-Y88 HydrophobicContact CD1-CD1 3.62Å; F8-Y88 AromaticContact CD1-CE1 3.68Å; F8-Y88 HydrophobicContact CD1-CE1 3.68Å; F8-Y88 HydrophobicContact CD1-CG 4.41Å; F8-Y88 AromaticContact CD2-CD1 3.94Å; F8-Y88 HydrophobicContact CD2-CD1 3.94Å; F8-Y88 HydrophobicContact CD2-CG 4.17Å; F8-Y88 HydrophobicContact CE1-CD1 4.02Å; F8-Y88 HydrophobicContact CE1-CE1 4.17Å; F8-Y88 HydrophobicContact CE2-CD1 4.3Å; F8-Y88 AromaticContact CG-CD1 3.59Å; F8-Y88 HydrophobicContact CG-CD1 3.59Å; F8-Y88 HydrophobicContact CG-CE1 4.03Å; F8-Y88 AromaticContact CG-CG 3.95Å; F8-Y88 HydrophobicContact CG-CG 3.95Å; F8-Y88 HydrophobicContact CZ-CD1 4.34Å; F8-V90 HydrophobicContact CD2-CG2 4.17Å; F8-V90 HydrophobicContact CE2-CG2 3.82Å |
| 9 | E | 90 | Very high | 77.5 | Confident | 111 Ų | 111 | 85.7 Ų | 85.7 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -72.6 | -21 | -175.3 | -55.8 | -171.5 | 161.4 | 0 | 0 | 113.4 | L7 R32 | L7-E9 PolarHBondContact O-N 2.72Å; E9-R32 VanDerWaalsContact O-CZ 3.29Å; E9-R32 PolarHBondContact O-NE 2.78Å; E9-R32 PolarHBondContact O-NH2 2.98Å |
| 10 | D | 90.7 | Very high | 77.1 | Confident | 101 Ų | 101 | 88.3 Ų | 88.3 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.7 | -32.7 | 174.9 | -60.3 | -41 | 0 | 0 | 0 | 111.6 | I6 L7 F8 R32 | I6-D10 HydrophobicContact CG2-CB 4.32Å; L7-D10 WeakPolarHBondContact CB-OD2 3.35Å; L7-D10 PolarHBondContact N-OD2 3.06Å; L7-D10 WeakPolarHBondContact O-CB 3.46Å; L7-D10 PolarHBondContact O-N 2.71Å; L7-D10 VanDerWaalsContact O-N 3.16Å; F8-D10 VanDerWaalsContact C-N 3.29Å; F8-D10 PolarHBondContact O-N 2.85Å; D10-R32 WeakPolarHBondContact O-CD 3.42Å |
| 11 | V | 93.4 | Very high | 76.5 | Confident | 24 Ų | 24 | 85.9 Ų | 85.9 | 15% | 0.145 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -99.1 | -32.3 | -176.1 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | I6 F8 N31 R32 | I6-V11 HydrophobicContact CG2-CG2 3.38Å; F8-V11 PolarHBondContact O-N 3.43Å; V11-N31 WeakPolarHBondContact CG1-ND2 3.41Å; V11-N31 WeakPolarHBondContact O-CA 3.41Å; V11-R32 PolarHBondContact O-N 3.18Å |
| 12 | Y | 94.7 | Very high | 77.8 | Confident | 6 Ų | 6 | 79.1 Ų | 79.1 | 2% | 0.024 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.2 | -170.5 | -71 | -81.4 | 0 | 0 | 0 | 113.7 | F8 C29 I30 N31 F38 E79 Y81 V90 | F8-Y12 AromaticContact CD2-CD2 3.95Å; F8-Y12 HydrophobicContact CD2-CD2 3.95Å; F8-Y12 HydrophobicContact CD2-CG 4.32Å; F8-Y12 AromaticContact CE2-CD2 3.75Å; F8-Y12 HydrophobicContact CE2-CD2 3.75Å; F8-Y12 AromaticContact CE2-CG 3.72Å; F8-Y12 HydrophobicContact CE2-CG 3.72Å; F8-Y12 HydrophobicContact CZ-CD2 4.5Å; F8-Y12 HydrophobicContact CZ-CG 4.05Å; F8-Y12 WeakPolarHBondContact O-CB 3.36Å; F8-Y12 PolarHBondContact O-N 3.34Å; Y12-C29 HydrophobicContact CD1-CB 4.38Å; Y12-I30 CarbonylContact C-O 3.46Å; Y12-I30 WeakPolarHBondContact CA-O 3.47Å; Y12-N31 HydrophobicContact CD1-CB 4.08Å; Y12-N31 HydrophobicContact CE1-CB 3.63Å; Y12-F38 HydrophobicContact CD1-CD2 4.45Å; Y12-F38 HydrophobicContact CE1-CB 4.32Å; Y12-F38 AromaticContact CE1-CD2 3.55Å; Y12-F38 HydrophobicContact CE1-CD2 3.55Å; Y12-F38 HydrophobicContact CE1-CE2 4.04Å; Y12-F38 HydrophobicContact CE1-CG 4.05Å; Y12-E79 WeakPolarHBondContact CE2-OE2 3.42Å; Y12-E79 PolarHBondContact OH-OE2 3.2Å; Y12-Y81 HydrophobicContact CD2-CE2 4.2Å; Y12-Y81 AromaticContact CE2-CE2 3.98Å; Y12-Y81 HydrophobicContact CE2-CE2 3.98Å; Y12-V90 HydrophobicContact CD2-CG2 4.49Å; Y12-V90 HydrophobicContact CE1-CG1 4.07Å; Y12-V90 HydrophobicContact CE2-CG1 4.36Å; Y12-V90 HydrophobicContact CE2-CG2 4.24Å |
| 13 | E | 93.6 | Very high | 79.3 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.1 | 167.5 | -171.3 | -176.4 | 150.5 | 0 | 0 | 110.6 | C29 I30 | E13-C29 CarbonylContact O-C 3.59Å; E13-C29 WeakPolarHBondContact O-CA 3.34Å; E13-C29 WeakPolarHBondContact O-CB 3.43Å; E13-I30 PolarHBondContact N-O 2.9Å; E13-I30 PolarHBondContact O-N 2.87Å |
| 14 | L | 92.9 | Very high | 81.1 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.4 | 176.4 | -69.8 | 179.3 | 0 | 0 | 0 | 112.4 | F8 R27 C29 V40 I42 | F8-L14 HydrophobicContact CE1-CD1 4.39Å; F8-L14 HydrophobicContact CE1-CD2 3.44Å; F8-L14 VanDerWaalsContact CE1-CD2 3.44Å; F8-L14 HydrophobicContact CE1-CG 3.76Å; F8-L14 HydrophobicContact CZ-CD2 3.64Å; F8-L14 HydrophobicContact CZ-CG 4.4Å; L14-R27 HydrophobicContact CD2-CB 4.42Å; L14-C29 HydrophobicContact CD2-CB 4.44Å; L14-V40 HydrophobicContact CD2-CG1 3.61Å; L14-I42 HydrophobicContact CD1-CD1 4.2Å; L14-I42 HydrophobicContact CD2-CD1 4.03Å |
| 15 | C | 91.7 | Very high | 82.6 | Confident | 19 Ų | 19 | 66 Ų | 66 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -153 | 172.6 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | R27 R28 | C15-R27 VanDerWaalsContact O-CZ 3.24Å; C15-R27 PolarHBondContact O-NE 3.44Å; C15-R27 PolarHBondContact O-NH2 2.86Å; C15-R28 WeakPolarHBondContact CA-O 3.42Å; C15-R28 HydrophobicContact CB-CB 4.2Å; C15-R28 VanDerWaalsContact CB-NH2 3.34Å; C15-R28 WeakPolarHBondContact CB-O 3.18Å; C15-R28 PolarHBondContact N-O 2.67Å |
| 16 | E | 86.2 | Confident | 83.3 | Confident | 94 Ų | 94 | 61 Ų | 61 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 159.4 | -176.1 | 73.1 | -74.3 | 173.8 | 0 | 0 | 114.6 | I18 R27 R28 | E16-I18 HydrophobicContact CG-CG2 4.25Å; E16-R27 VanDerWaalsContact O-CA 3.29Å; E16-R27 WeakPolarHBondContact O-CA 3.45Å; E16-R28 PolarHBondContact O-N 3.31Å; E16-R28 IonicContact OE1-CZ 2.89Å; E16-R28 IonicContact OE1-NE 2.7Å; E16-R28 PolarHBondContact OE1-NE 3.24Å; E16-R28 IonicContact OE1-NH2 3.12Å; E16-R28 IonicContact OE2-CZ 3.8Å; E16-R28 IonicContact OE2-NE 3.56Å; E16-R28 PolarHBondContact OE2-NE 3.29Å; E16-R28 IonicContact OE2-NH2 2.72Å; E16-R28 PolarHBondContact OE2-NH2 3.34Å |
| 17 | V | 82.1 | Confident | 83.7 | Confident | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 122.5 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | G19 K20 V25 R27 | V17-G19 WeakPolarHBondContact CG1-O 3.47Å; V17-K20 HydrophobicContact CG1-CG 3.83Å; V17-V25 HydrophobicContact CB-CG2 4.29Å; V17-V25 HydrophobicContact CG1-CG2 3.55Å; V17-V25 HydrophobicContact CG2-CG2 3.8Å; V17-R27 HydrophobicContact CG2-CG 4.06Å |
| 18 | I | 81.6 | Confident | 84 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 41% | 0.41 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -13 | 178.5 | 63.1 | 177.7 | 0 | 0 | 0 | 112.7 | E16 V26 R28 A39 F93 | E16-I18 HydrophobicContact CG-CG2 4.25Å; I18-V26 HydrophobicContact CD1-CG1 4.01Å; I18-V26 HydrophobicContact CG1-CB 4.22Å; I18-V26 HydrophobicContact CG1-CG1 3.81Å; I18-V26 WeakPolarHBondContact CG1-O 2.85Å; I18-V26 PolarHBondContact N-O 3.15Å; I18-R28 HydrophobicContact CD1-CB 4.48Å; I18-R28 HydrophobicContact CG2-CB 4.08Å; I18-A39 HydrophobicContact CD1-CB 4.01Å; I18-F93 HydrophobicContact CD1-CD2 4.3Å; I18-F93 HydrophobicContact CD1-CE2 3.95Å |
| 19 | G | 73.8 | Confident | 84.2 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 154 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V17 V26 | V17-G19 WeakPolarHBondContact CG1-O 3.47Å; G19-V26 PolarHBondContact N-O 3.32Å; G19-V26 PolarHBondContact O-N 2.91Å |
| 20 | K | 69.6 | Low | 84.4 | Confident | 136 Ų | 136 | 54.2 Ų | 54.2 | 59% | 0.591 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137 | 171.3 | -71.7 | -176.2 | 177.3 | -179.2 | 0 | 109.5 | V17 V25 | V17-K20 HydrophobicContact CG1-CG 3.83Å; K20-V25 HydrophobicContact CG-CG2 4.18Å |
| 21 | G | 64.4 | Low | 84.7 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 177.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F23 S24 | G21-F23 VanDerWaalsContact C-N 3.26Å; G21-F23 PolarHBondContact O-N 2.97Å; G21-S24 PolarHBondContact N-O 3.04Å |
| 22 | P | 62.2 | Low | 84.7 | Confident | 97 Ų | 97 | 55.3 Ų | 55.3 | 63% | 0.63 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -27.9 | -171.5 | 23.5 | -34.1 | 0 | 0 | 0 | 114.5 | ||
| 23 | F | 69.8 | Low | 84.7 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 8.7 | -175.6 | -45 | -59.8 | 0 | 0 | 0 | 112.8 | G21 V43 D44 F48 S51 L54 | G21-F23 VanDerWaalsContact C-N 3.26Å; G21-F23 PolarHBondContact O-N 2.97Å; F23-V43 WeakPolarHBondContact O-CG1 3.49Å; F23-D44 PolarHBondContact O-N 2.97Å; F23-F48 HydrophobicContact CB-CB 4.22Å; F23-F48 HydrophobicContact CB-CD2 3.7Å; F23-F48 HydrophobicContact CB-CG 4.45Å; F23-F48 AromaticContact CD2-CD2 3.82Å; F23-F48 HydrophobicContact CD2-CD2 3.82Å; F23-F48 HydrophobicContact CD2-CE2 4.15Å; F23-F48 AromaticContact CG-CD2 3.96Å; F23-F48 HydrophobicContact CG-CD2 3.96Å; F23-S51 WeakPolarHBondContact CE1-OG 3.29Å; F23-S51 WeakPolarHBondContact CZ-OG 3.47Å; F23-L54 HydrophobicContact CD2-CD1 3.88Å; F23-L54 HydrophobicContact CE2-CD1 3.39Å; F23-L54 HydrophobicContact CZ-CD1 4Å |
| 24 | S | 79.8 | Confident | 84.7 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 140.4 | -170.4 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | G21 I42 | G21-S24 PolarHBondContact N-O 3.04Å; S24-I42 CarbonylContact C-O 3.56Å; S24-I42 WeakPolarHBondContact CA-O 3.46Å; S24-I42 WeakPolarHBondContact CB-O 3.38Å |
| 25 | V | 84.3 | Confident | 84.7 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 138 | 172.1 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | V17 K20 R27 I42 | V17-V25 HydrophobicContact CB-CG2 4.29Å; V17-V25 HydrophobicContact CG1-CG2 3.55Å; V17-V25 HydrophobicContact CG2-CG2 3.8Å; K20-V25 HydrophobicContact CG-CG2 4.18Å; V25-R27 HydrophobicContact CG2-CG 4.14Å; V25-I42 HydrophobicContact CG1-CB 3.92Å; V25-I42 HydrophobicContact CG1-CD1 4.28Å; V25-I42 HydrophobicContact CG1-CG1 4.41Å; V25-I42 PolarHBondContact N-O 3.46Å; V25-I42 PolarHBondContact O-N 2.96Å |
| 26 | V | 86.8 | Confident | 84.8 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.6 | 172 | -169.7 | 0 | 0 | 0 | 0 | 108 | I18 G19 A39 V40 K41 | I18-V26 HydrophobicContact CD1-CG1 4.01Å; I18-V26 HydrophobicContact CG1-CB 4.22Å; I18-V26 HydrophobicContact CG1-CG1 3.81Å; I18-V26 WeakPolarHBondContact CG1-O 2.85Å; I18-V26 PolarHBondContact N-O 3.15Å; G19-V26 PolarHBondContact N-O 3.32Å; G19-V26 PolarHBondContact O-N 2.91Å; V26-A39 HydrophobicContact CG1-CB 4.46Å; V26-V40 CarbonylContact C-O 3.5Å; V26-V40 VanDerWaalsContact CA-O 3.31Å; V26-V40 WeakPolarHBondContact CA-O 3.38Å; V26-K41 HydrophobicContact CG2-CB 4.31Å; V26-K41 HydrophobicContact CG2-CG 4.27Å |
| 27 | R | 91.4 | Very high | 85.2 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.4 | 178.5 | -61.7 | -176.7 | 71.1 | 165 | -2.8 | 110 | L14 C15 E16 V17 V25 A39 V40 I42 | L14-R27 HydrophobicContact CD2-CB 4.42Å; C15-R27 VanDerWaalsContact O-CZ 3.24Å; C15-R27 PolarHBondContact O-NE 3.44Å; C15-R27 PolarHBondContact O-NH2 2.86Å; E16-R27 VanDerWaalsContact O-CA 3.29Å; E16-R27 WeakPolarHBondContact O-CA 3.45Å; V17-R27 HydrophobicContact CG2-CG 4.06Å; V25-R27 HydrophobicContact CG2-CG 4.14Å; R27-A39 CarbonylContact O-C 3.54Å; R27-A39 WeakPolarHBondContact O-CA 3.41Å; R27-V40 HydrophobicContact CB-CG1 4.1Å; R27-V40 PolarHBondContact N-O 2.89Å; R27-V40 PolarHBondContact O-N 3.06Å; R27-I42 HydrophobicContact CG-CD1 4.41Å |
| 28 | R | 94.3 | Very high | 85.9 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 143.3 | 160.5 | -172.4 | 174.1 | 63.2 | 77.1 | 6.6 | 107.8 | C15 E16 I18 F38 F93 | C15-R28 WeakPolarHBondContact CA-O 3.42Å; C15-R28 HydrophobicContact CB-CB 4.2Å; C15-R28 VanDerWaalsContact CB-NH2 3.34Å; C15-R28 WeakPolarHBondContact CB-O 3.18Å; C15-R28 PolarHBondContact N-O 2.67Å; E16-R28 PolarHBondContact O-N 3.31Å; E16-R28 IonicContact OE1-CZ 2.89Å; E16-R28 IonicContact OE1-NE 2.7Å; E16-R28 PolarHBondContact OE1-NE 3.24Å; E16-R28 IonicContact OE1-NH2 3.12Å; E16-R28 IonicContact OE2-CZ 3.8Å; E16-R28 IonicContact OE2-NE 3.56Å; E16-R28 PolarHBondContact OE2-NE 3.29Å; E16-R28 IonicContact OE2-NH2 2.72Å; E16-R28 PolarHBondContact OE2-NH2 3.34Å; I18-R28 HydrophobicContact CD1-CB 4.48Å; I18-R28 HydrophobicContact CG2-CB 4.08Å; R28-F38 WeakPolarHBondContact CA-O 3.49Å; R28-F93 HydrophobicContact CB-CE2 4.1Å; R28-F93 HydrophobicContact CG-CD2 3.95Å; R28-F93 HydrophobicContact CG-CE2 3.74Å; R28-F93 HydrophobicContact CG-CZ 4.34Å |
| 29 | C | 94.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 161.6 | 173 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | F8 Y12 E13 L14 Q37 F38 V40 | F8-C29 HydrophobicContact CZ-CB 4.26Å; Y12-C29 HydrophobicContact CD1-CB 4.38Å; E13-C29 CarbonylContact O-C 3.59Å; E13-C29 WeakPolarHBondContact O-CA 3.34Å; E13-C29 WeakPolarHBondContact O-CB 3.43Å; L14-C29 HydrophobicContact CD2-CB 4.44Å; C29-Q37 WeakPolarHBondContact O-CA 3.38Å; C29-F38 PolarHBondContact N-O 3.45Å; C29-F38 PolarHBondContact O-N 3.43Å; C29-V40 HydrophobicContact CB-CG1 4.05Å |
| 30 | I | 95.3 | Very high | 87.6 | Confident | 43 Ų | 43 | 60 Ų | 60 | 22% | 0.221 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.5 | 179.6 | -60.5 | 173.7 | 0 | 0 | 0 | 107.7 | Y12 E13 R32 Q36 Q37 | Y12-I30 CarbonylContact C-O 3.46Å; Y12-I30 WeakPolarHBondContact CA-O 3.47Å; E13-I30 PolarHBondContact N-O 2.9Å; E13-I30 PolarHBondContact O-N 2.87Å; I30-R32 PolarHBondContact O-N 3.43Å; I30-Q36 WeakPolarHBondContact CA-O 3.35Å; I30-Q37 HydrophobicContact CG1-CG 4.45Å |
| 31 | N | 95.8 | Very high | 88.7 | Confident | 18 Ų | 18 | 55 Ų | 55 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 124.9 | 170.4 | 172.6 | -81.4 | 0 | 0 | 0 | 108.8 | V11 Y12 D33 T34 G35 Q36 F38 | V11-N31 WeakPolarHBondContact CG1-ND2 3.41Å; V11-N31 WeakPolarHBondContact O-CA 3.41Å; Y12-N31 HydrophobicContact CD1-CB 4.08Å; Y12-N31 HydrophobicContact CE1-CB 3.63Å; N31-D33 PolarHBondContact O-N 3.19Å; N31-D33 PolarHBondContact OD1-N 3.01Å; N31-T34 WeakPolarHBondContact CB-OG1 3.48Å; N31-T34 VanDerWaalsContact CG-OG1 3.26Å; N31-T34 WeakPolarHBondContact OD1-CB 3.34Å; N31-T34 WeakPolarHBondContact OD1-CG2 3.41Å; N31-T34 PolarHBondContact OD1-N 3.01Å; N31-T34 PolarHBondContact OD1-OG1 2.89Å; N31-G35 WeakPolarHBondContact O-CA 3.49Å; N31-G35 PolarHBondContact O-N 3.19Å; N31-Q36 PolarHBondContact N-O 3Å; N31-F38 HydrophobicContact CB-CD2 4.18Å; N31-F38 HydrophobicContact CB-CE2 3.74Å |
| 32 | R | 94.8 | Very high | 90 | Very high | 130 Ų | 130 | 54 Ų | 54 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -36.2 | -169 | -66.8 | -177.1 | -174.3 | -82.1 | 8.9 | 113.6 | E9 D10 V11 I30 | E9-R32 VanDerWaalsContact O-CZ 3.29Å; E9-R32 PolarHBondContact O-NE 2.78Å; E9-R32 PolarHBondContact O-NH2 2.98Å; D10-R32 WeakPolarHBondContact O-CD 3.42Å; V11-R32 PolarHBondContact O-N 3.18Å; I30-R32 PolarHBondContact O-N 3.43Å |
| 33 | D | 93.8 | Very high | 91.2 | Very high | 150 Ų | 150 | 49.4 Ų | 49.4 | 80% | 0.802 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -36.4 | -176.5 | -64.1 | -34.2 | 0 | 0 | 0 | 113 | N31 | N31-D33 PolarHBondContact O-N 3.19Å; N31-D33 PolarHBondContact OD1-N 3.01Å |
| 34 | T | 94.3 | Very high | 92 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 57% | 0.571 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -18 | -172.3 | 61.7 | 0 | 0 | 0 | 0 | 114 | N31 Q36 | N31-T34 WeakPolarHBondContact CB-OG1 3.48Å; N31-T34 VanDerWaalsContact CG-OG1 3.26Å; N31-T34 WeakPolarHBondContact OD1-CB 3.34Å; N31-T34 WeakPolarHBondContact OD1-CG2 3.41Å; N31-T34 PolarHBondContact OD1-N 3.01Å; N31-T34 PolarHBondContact OD1-OG1 2.89Å; T34-Q36 PolarHBondContact O-N 3.33Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.42Å; T34-Q36 PolarHBondContact OG1-N 3.33Å |
| 35 | G | 92.4 | Very high | 92.3 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | trans | 67.6 | 5.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N31 | N31-G35 WeakPolarHBondContact O-CA 3.49Å; N31-G35 PolarHBondContact O-N 3.19Å | ||
| 36 | Q | 94 | Very high | 92.2 | Very high | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | trans | -73.3 | 142.3 | -178.6 | -177.2 | 175 | -12.1 | 0 | 0 | 111.3 | I30 N31 T34 F38 | I30-Q36 WeakPolarHBondContact CA-O 3.35Å; N31-Q36 PolarHBondContact N-O 3Å; T34-Q36 PolarHBondContact O-N 3.33Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.42Å; T34-Q36 PolarHBondContact OG1-N 3.33Å; Q36-F38 HydrophobicContact CB-CE2 3.68Å; Q36-F38 HydrophobicContact CB-CZ 4.1Å; Q36-F38 VanDerWaalsContact CD-CZ 3.44Å; Q36-F38 HydrophobicContact CG-CD2 4.38Å; Q36-F38 HydrophobicContact CG-CE1 4.45Å; Q36-F38 HydrophobicContact CG-CE2 3.59Å; Q36-F38 HydrophobicContact CG-CZ 3.63Å; Q36-F38 VanDerWaalsContact O-CD2 3.26Å; Q36-F38 WeakPolarHBondContact O-CD2 3.34Å; Q36-F38 WeakPolarHBondContact O-CE2 3.5Å | ||
| 37 | Q | 95.2 | Very high | 91.7 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 138.6 | -177.1 | -56 | -173.3 | 28.4 | 0 | 0 | 112.2 | C29 I30 F93 | C29-Q37 WeakPolarHBondContact O-CA 3.38Å; I30-Q37 HydrophobicContact CG1-CG 4.45Å; Q37-F93 HydrophobicContact CB-CB 4.38Å; Q37-F93 HydrophobicContact CB-CD1 4.47Å; Q37-F93 HydrophobicContact CB-CG 4.46Å; Q37-F93 WeakPolarHBondContact O-CB 3.41Å |
| 38 | F | 96.1 | Very high | 91 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 4% | 0.044 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 167.6 | -178.4 | -63.5 | -86.1 | 0 | 0 | 0 | 110.9 | Y12 R28 C29 N31 Q36 L78 V90 F91 | Y12-F38 HydrophobicContact CD1-CD2 4.45Å; Y12-F38 HydrophobicContact CE1-CB 4.32Å; Y12-F38 AromaticContact CE1-CD2 3.55Å; Y12-F38 HydrophobicContact CE1-CD2 3.55Å; Y12-F38 HydrophobicContact CE1-CE2 4.04Å; Y12-F38 HydrophobicContact CE1-CG 4.05Å; R28-F38 WeakPolarHBondContact CA-O 3.49Å; C29-F38 PolarHBondContact N-O 3.45Å; C29-F38 PolarHBondContact O-N 3.43Å; N31-F38 HydrophobicContact CB-CD2 4.18Å; N31-F38 HydrophobicContact CB-CE2 3.74Å; Q36-F38 HydrophobicContact CB-CE2 3.68Å; Q36-F38 HydrophobicContact CB-CZ 4.1Å; Q36-F38 VanDerWaalsContact CD-CZ 3.44Å; Q36-F38 HydrophobicContact CG-CD2 4.38Å; Q36-F38 HydrophobicContact CG-CE1 4.45Å; Q36-F38 HydrophobicContact CG-CE2 3.59Å; Q36-F38 HydrophobicContact CG-CZ 3.63Å; Q36-F38 VanDerWaalsContact O-CD2 3.26Å; Q36-F38 WeakPolarHBondContact O-CD2 3.34Å; Q36-F38 WeakPolarHBondContact O-CE2 3.5Å; F38-L78 HydrophobicContact CD1-CD1 4.03Å; F38-L78 HydrophobicContact CD1-CD2 4.44Å; F38-L78 HydrophobicContact CE1-CD1 4.1Å; F38-L78 HydrophobicContact CE1-CD2 3.72Å; F38-V90 HydrophobicContact CB-CG1 3.78Å; F38-V90 HydrophobicContact CD1-CG1 4.24Å; F38-V90 HydrophobicContact CG-CG1 4.1Å; F38-F91 WeakPolarHBondContact CB-O 3.45Å |
| 39 | A | 95.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I18 V26 R27 F91 F93 | I18-A39 HydrophobicContact CD1-CB 4.01Å; V26-A39 HydrophobicContact CG1-CB 4.46Å; R27-A39 CarbonylContact O-C 3.54Å; R27-A39 WeakPolarHBondContact O-CA 3.41Å; A39-F91 PolarHBondContact N-O 3.48Å; A39-F91 PolarHBondContact O-N 3.21Å; A39-F93 HydrophobicContact CB-CD2 4.3Å |
| 40 | V | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.4 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | F8 L14 V26 R27 C29 I42 Y88 M89 V90 | F8-V40 HydrophobicContact CD2-CG2 4.47Å; F8-V40 HydrophobicContact CE2-CB 4.12Å; F8-V40 HydrophobicContact CE2-CG1 4.39Å; F8-V40 HydrophobicContact CE2-CG2 3.75Å; F8-V40 HydrophobicContact CZ-CB 4.15Å; F8-V40 HydrophobicContact CZ-CG1 3.91Å; F8-V40 HydrophobicContact CZ-CG2 4.04Å; L14-V40 HydrophobicContact CD2-CG1 3.61Å; V26-V40 CarbonylContact C-O 3.5Å; V26-V40 VanDerWaalsContact CA-O 3.31Å; V26-V40 WeakPolarHBondContact CA-O 3.38Å; R27-V40 HydrophobicContact CB-CG1 4.1Å; R27-V40 PolarHBondContact N-O 2.89Å; R27-V40 PolarHBondContact O-N 3.06Å; C29-V40 HydrophobicContact CB-CG1 4.05Å; V40-I42 HydrophobicContact CG1-CD1 4.32Å; V40-I42 HydrophobicContact CG1-CG1 4.17Å; V40-I42 HydrophobicContact CG2-CG1 4.02Å; V40-Y88 HydrophobicContact CG2-CD1 4.09Å; V40-M89 CarbonylContact C-O 3.57Å; V40-M89 WeakPolarHBondContact CA-O 3.42Å; V40-V90 HydrophobicContact CB-CG2 4.46Å; V40-V90 HydrophobicContact CG2-CG2 4.16Å |
| 41 | K | 93 | Very high | 88.3 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 14% | 0.143 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 117.1 | 165.4 | -178.2 | -169 | -177.1 | -170.5 | 0 | 107.8 | V26 V43 E62 Y88 M89 F91 | V26-K41 HydrophobicContact CG2-CB 4.31Å; V26-K41 HydrophobicContact CG2-CG 4.27Å; K41-V43 HydrophobicContact CD-CG2 4.27Å; K41-V43 HydrophobicContact CG-CG2 4.17Å; K41-E62 IonicContact NZ-OE1 3.88Å; K41-E62 PolarHBondContact NZ-OE1 2.79Å; K41-E62 IonicContact NZ-OE2 3.53Å; K41-E62 PolarHBondContact NZ-OE2 2.9Å; K41-Y88 CarbonylContact O-C 3.55Å; K41-Y88 WeakPolarHBondContact O-CA 3.32Å; K41-M89 HydrophobicContact CB-CB 4.34Å; K41-M89 HydrophobicContact CD-SD 4.39Å; K41-M89 PolarHBondContact N-O 2.93Å; K41-M89 PolarHBondContact O-N 3.37Å; K41-F91 HydrophobicContact CB-CE2 4.16Å |
| 42 | I | 91.6 | Very high | 86.9 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.4 | 178.1 | -46.3 | 175.4 | 0 | 0 | 0 | 107.4 | L14 S24 V25 R27 V40 M86 L87 Y88 | L14-I42 HydrophobicContact CD1-CD1 4.2Å; L14-I42 HydrophobicContact CD2-CD1 4.03Å; S24-I42 CarbonylContact C-O 3.56Å; S24-I42 WeakPolarHBondContact CA-O 3.46Å; S24-I42 WeakPolarHBondContact CB-O 3.38Å; V25-I42 HydrophobicContact CG1-CB 3.92Å; V25-I42 HydrophobicContact CG1-CD1 4.28Å; V25-I42 HydrophobicContact CG1-CG1 4.41Å; V25-I42 PolarHBondContact N-O 3.46Å; V25-I42 PolarHBondContact O-N 2.96Å; R27-I42 HydrophobicContact CG-CD1 4.41Å; V40-I42 HydrophobicContact CG1-CD1 4.32Å; V40-I42 HydrophobicContact CG1-CG1 4.17Å; V40-I42 HydrophobicContact CG2-CG1 4.02Å; I42-M86 HydrophobicContact CG2-CB 4.23Å; I42-M86 HydrophobicContact CG2-SD 4.23Å; I42-L87 CarbonylContact C-O 3.52Å; I42-L87 WeakPolarHBondContact CA-O 3.34Å; I42-Y88 HydrophobicContact CD1-CD1 4.17Å; I42-Y88 HydrophobicContact CD1-CE1 4.01Å; I42-Y88 HydrophobicContact CG1-CD1 3.84Å; I42-Y88 HydrophobicContact CG1-CE1 4.11Å; I42-Y88 HydrophobicContact CG2-CD1 4.13Å; I42-Y88 HydrophobicContact CG2-CE1 3.95Å |
| 43 | V | 87.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.2 | -178.2 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | F23 K41 V45 F48 L59 M86 L87 | F23-V43 WeakPolarHBondContact O-CG1 3.49Å; K41-V43 HydrophobicContact CD-CG2 4.27Å; K41-V43 HydrophobicContact CG-CG2 4.17Å; V43-V45 PolarHBondContact O-N 3.42Å; V43-F48 HydrophobicContact CG1-CB 4.26Å; V43-F48 HydrophobicContact CG1-CD2 4.14Å; V43-F48 HydrophobicContact CG1-CG 4.41Å; V43-L59 HydrophobicContact CG1-CD1 4.16Å; V43-L59 HydrophobicContact CG1-CD2 3.9Å; V43-M86 WeakPolarHBondContact O-CA 3.38Å; V43-L87 HydrophobicContact CB-CB 4.35Å; V43-L87 PolarHBondContact N-O 2.85Å; V43-L87 PolarHBondContact O-N 2.88Å |
| 44 | D | 87.3 | Confident | 84.7 | Confident | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112.7 | 169.5 | -177.1 | -39.6 | 0 | 0 | 0 | 108.7 | F23 A46 Q47 F48 M86 | F23-D44 PolarHBondContact O-N 2.97Å; D44-A46 VanDerWaalsContact C-N 3.33Å; D44-A46 PolarHBondContact O-N 3.28Å; D44-A46 WeakPolarHBondContact OD1-CA 3.49Å; D44-A46 WeakPolarHBondContact OD1-CB 3.13Å; D44-A46 PolarHBondContact OD1-N 3.19Å; D44-Q47 HydrophobicContact CB-CB 3.84Å; D44-Q47 PolarHBondContact OD1-N 3.4Å; D44-F48 WeakPolarHBondContact O-CB 3.18Å; D44-F48 PolarHBondContact O-N 3.37Å; D44-M86 HydrophobicContact CB-CE 3.9Å; D44-M86 HydrophobicContact CB-SD 3.85Å; D44-M86 WeakPolarHBondContact OD2-CE 3.11Å |
| 45 | V | 86.1 | Confident | 84.1 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.4 | -32.9 | -174.5 | -179 | 0 | 0 | 0 | 0 | 111.2 | V43 T49 T56 L59 G85 L87 | V43-V45 PolarHBondContact O-N 3.42Å; V45-T49 HydrophobicContact CG1-CG2 4.43Å; V45-T49 WeakPolarHBondContact O-CB 3.48Å; V45-T49 VanDerWaalsContact O-CG2 3.29Å; V45-T49 WeakPolarHBondContact O-CG2 3.18Å; V45-T49 PolarHBondContact O-N 2.99Å; V45-T49 VanDerWaalsContact O-N 3.09Å; V45-T49 PolarHBondContact O-OG1 3.22Å; V45-T56 HydrophobicContact CG1-CG2 4.02Å; V45-L59 HydrophobicContact CG1-CD1 4.47Å; V45-L59 HydrophobicContact CG2-CD1 4.25Å; V45-G85 VanDerWaalsContact CB-O 3.29Å; V45-G85 WeakPolarHBondContact CB-O 3.33Å; V45-G85 VanDerWaalsContact CG2-O 3.3Å; V45-G85 WeakPolarHBondContact CG2-O 3.41Å; V45-G85 PolarHBondContact N-O 3.38Å; V45-L87 HydrophobicContact CG2-CB 4.06Å |
| 46 | A | 81.4 | Confident | 83.7 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 50% | 0.504 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D44 F48 T49 S50 | D44-A46 VanDerWaalsContact C-N 3.33Å; D44-A46 PolarHBondContact O-N 3.28Å; D44-A46 WeakPolarHBondContact OD1-CA 3.49Å; D44-A46 WeakPolarHBondContact OD1-CB 3.13Å; D44-A46 PolarHBondContact OD1-N 3.19Å; A46-F48 PolarHBondContact O-N 3.34Å; A46-T49 PolarHBondContact O-N 3.09Å; A46-T49 PolarHBondContact O-OG1 3.29Å; A46-S50 WeakPolarHBondContact O-CB 3.36Å; A46-S50 PolarHBondContact O-N 2.83Å; A46-S50 PolarHBondContact O-OG 3.41Å |
| 47 | Q | 76.9 | Confident | 83.2 | Confident | 103 Ų | 103 | 54.4 Ų | 54.4 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 177.2 | -165.4 | -173.6 | 24.1 | 0 | 0 | 111.6 | D44 S51 | D44-Q47 HydrophobicContact CB-CB 3.84Å; D44-Q47 PolarHBondContact OD1-N 3.4Å; Q47-S51 PolarHBondContact O-OG 2.9Å |
| 48 | F | 76.6 | Confident | 82.6 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 11% | 0.114 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 177.2 | -173.4 | -87.4 | 0 | 0 | 0 | 112 | F23 V43 D44 A46 S50 S51 L54 S55 D58 L59 | F23-F48 HydrophobicContact CB-CB 4.22Å; F23-F48 HydrophobicContact CB-CD2 3.7Å; F23-F48 HydrophobicContact CB-CG 4.45Å; F23-F48 AromaticContact CD2-CD2 3.82Å; F23-F48 HydrophobicContact CD2-CD2 3.82Å; F23-F48 HydrophobicContact CD2-CE2 4.15Å; F23-F48 AromaticContact CG-CD2 3.96Å; F23-F48 HydrophobicContact CG-CD2 3.96Å; V43-F48 HydrophobicContact CG1-CB 4.26Å; V43-F48 HydrophobicContact CG1-CD2 4.14Å; V43-F48 HydrophobicContact CG1-CG 4.41Å; D44-F48 WeakPolarHBondContact O-CB 3.18Å; D44-F48 PolarHBondContact O-N 3.37Å; A46-F48 PolarHBondContact O-N 3.34Å; F48-S50 VanDerWaalsContact C-N 3.34Å; F48-S50 PolarHBondContact O-N 3.08Å; F48-S51 WeakPolarHBondContact O-CB 3.46Å; F48-S51 PolarHBondContact O-N 3.26Å; F48-L54 HydrophobicContact CD1-CB 4.03Å; F48-L54 HydrophobicContact CD2-CD1 4.31Å; F48-L54 HydrophobicContact CE1-CB 3.7Å; F48-L54 HydrophobicContact CE1-CD1 4.35Å; F48-L54 HydrophobicContact CE1-CD2 4.36Å; F48-L54 HydrophobicContact CE1-CG 4.35Å; F48-L54 HydrophobicContact CE2-CD1 3.98Å; F48-L54 HydrophobicContact CZ-CB 4.11Å; F48-L54 HydrophobicContact CZ-CD1 4.01Å; F48-L54 HydrophobicContact CZ-CD2 3.98Å; F48-L54 HydrophobicContact CZ-CG 4.26Å; F48-L54 WeakPolarHBondContact O-CB 3.21Å; F48-S55 WeakPolarHBondContact CE1-O 3.48Å; F48-D58 HydrophobicContact CE1-CB 4.26Å; F48-D58 HydrophobicContact CZ-CB 4.34Å; F48-L59 HydrophobicContact CB-CD1 4.44Å; F48-L59 HydrophobicContact CD1-CD1 3.83Å; F48-L59 HydrophobicContact CD1-CD2 4.03Å; F48-L59 HydrophobicContact CD1-CG 3.78Å; F48-L59 HydrophobicContact CD2-CD2 3.93Å; F48-L59 HydrophobicContact CE1-CD1 4.24Å; F48-L59 HydrophobicContact CE1-CD2 3.8Å; F48-L59 HydrophobicContact CE1-CG 3.65Å; F48-L59 HydrophobicContact CE2-CD2 3.7Å; F48-L59 HydrophobicContact CE2-CG 4.45Å; F48-L59 HydrophobicContact CG-CD1 4.08Å; F48-L59 HydrophobicContact CG-CD2 4.1Å; F48-L59 HydrophobicContact CG-CG 4.24Å; F48-L59 HydrophobicContact CZ-CD2 3.63Å; F48-L59 HydrophobicContact CZ-CG 4.01Å |
| 49 | T | 80.6 | Confident | 82.1 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -77.1 | -17.9 | -177.7 | 54.4 | 0 | 0 | 0 | 0 | 114 | V45 A46 S51 T56 | V45-T49 HydrophobicContact CG1-CG2 4.43Å; V45-T49 WeakPolarHBondContact O-CB 3.48Å; V45-T49 VanDerWaalsContact O-CG2 3.29Å; V45-T49 WeakPolarHBondContact O-CG2 3.18Å; V45-T49 PolarHBondContact O-N 2.99Å; V45-T49 VanDerWaalsContact O-N 3.09Å; V45-T49 PolarHBondContact O-OG1 3.22Å; A46-T49 PolarHBondContact O-N 3.09Å; A46-T49 PolarHBondContact O-OG1 3.29Å; T49-S51 PolarHBondContact O-N 2.96Å; T49-T56 HydrophobicContact CG2-CG2 3.62Å |
| 50 | S | 76.1 | Confident | 81.7 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.5 | 171.3 | -59.2 | 0 | 0 | 0 | 0 | 113.1 | A46 F48 | A46-S50 WeakPolarHBondContact O-CB 3.36Å; A46-S50 PolarHBondContact O-N 2.83Å; A46-S50 PolarHBondContact O-OG 3.41Å; F48-S50 VanDerWaalsContact C-N 3.34Å; F48-S50 PolarHBondContact O-N 3.08Å |
| 51 | S | 70.4 | Confident | 81.5 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -86.7 | 128.6 | -179.8 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | F23 Q47 F48 T49 G53 L54 | F23-S51 WeakPolarHBondContact CE1-OG 3.29Å; F23-S51 WeakPolarHBondContact CZ-OG 3.47Å; Q47-S51 PolarHBondContact O-OG 2.9Å; F48-S51 WeakPolarHBondContact O-CB 3.46Å; F48-S51 PolarHBondContact O-N 3.26Å; T49-S51 PolarHBondContact O-N 2.96Å; S51-G53 PolarHBondContact O-N 3.32Å; S51-L54 PolarHBondContact O-N 2.61Å; S51-L54 VanDerWaalsContact O-N 3.13Å |
| 52 | P | 66.9 | Low | 81.4 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 88% | 0.883 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 123 | -176.6 | -28.2 | 35.3 | 0 | 0 | 0 | 113.7 | ||
| 53 | G | 66.6 | Low | 81.3 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 83% | 0.825 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 8.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S51 | S51-G53 PolarHBondContact O-N 3.32Š|
| 54 | L | 74.7 | Confident | 81.5 | Confident | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.304 | 38% | 0.381 | S | S | . | . | trans | -113.1 | 139.3 | 172 | -66.6 | -177.9 | 0 | 0 | 0 | 111.2 | F23 F48 S51 | F23-L54 HydrophobicContact CD2-CD1 3.88Å; F23-L54 HydrophobicContact CE2-CD1 3.39Å; F23-L54 HydrophobicContact CZ-CD1 4Å; F48-L54 HydrophobicContact CD1-CB 4.03Å; F48-L54 HydrophobicContact CD2-CD1 4.31Å; F48-L54 HydrophobicContact CE1-CB 3.7Å; F48-L54 HydrophobicContact CE1-CD1 4.35Å; F48-L54 HydrophobicContact CE1-CD2 4.36Å; F48-L54 HydrophobicContact CE1-CG 4.35Å; F48-L54 HydrophobicContact CE2-CD1 3.98Å; F48-L54 HydrophobicContact CZ-CB 4.11Å; F48-L54 HydrophobicContact CZ-CD1 4.01Å; F48-L54 HydrophobicContact CZ-CD2 3.98Å; F48-L54 HydrophobicContact CZ-CG 4.26Å; F48-L54 WeakPolarHBondContact O-CB 3.21Å; S51-L54 PolarHBondContact O-N 2.61Å; S51-L54 VanDerWaalsContact O-N 3.13Å | ||
| 55 | S | 82.1 | Confident | 81.9 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -137.3 | 165.3 | -172.5 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | F48 E57 D58 | F48-S55 WeakPolarHBondContact CE1-O 3.48Å; S55-E57 PolarHBondContact O-N 3.28Å; S55-E57 WeakPolarHBondContact OG-CB 3.4Å; S55-E57 PolarHBondContact OG-N 3.03Å; S55-D58 WeakPolarHBondContact CB-OD2 3.44Å; S55-D58 PolarHBondContact N-OD2 2.89Å; S55-D58 PolarHBondContact O-N 3.18Å; S55-D58 VanDerWaalsContact O-N 3.12Å; S55-D58 PolarHBondContact OG-N 3.43Å; S55-D58 PolarHBondContact OG-OD2 2.75Å | ||
| 56 | T | 83.4 | Confident | 82.2 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -21 | 172 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | V45 T49 D58 K60 | V45-T56 HydrophobicContact CG1-CG2 4.02Å; T49-T56 HydrophobicContact CG2-CG2 3.62Å; T56-D58 VanDerWaalsContact C-N 3.34Å; T56-K60 WeakPolarHBondContact O-CG 3.25Å; T56-K60 PolarHBondContact O-N 3.39Å; T56-K60 VanDerWaalsContact O-N 3.11Å |
| 57 | E | 84.1 | Confident | 82.7 | Confident | 136 Ų | 136 | 62.7 Ų | 62.7 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.5 | -33.3 | 174 | -56.6 | -170.9 | 164.9 | 0 | 0 | 111.9 | S55 K60 R61 | S55-E57 PolarHBondContact O-N 3.28Å; S55-E57 WeakPolarHBondContact OG-CB 3.4Å; S55-E57 PolarHBondContact OG-N 3.03Å; E57-K60 PolarHBondContact O-N 2.76Å; E57-R61 VanDerWaalsContact O-CB 3.29Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 3.48Å |
| 58 | D | 83.9 | Confident | 83.5 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 178.7 | -57.3 | -62.7 | 0 | 0 | 0 | 111.5 | F48 S55 T56 R61 E62 | F48-D58 HydrophobicContact CE1-CB 4.26Å; F48-D58 HydrophobicContact CZ-CB 4.34Å; S55-D58 WeakPolarHBondContact CB-OD2 3.44Å; S55-D58 PolarHBondContact N-OD2 2.89Å; S55-D58 PolarHBondContact O-N 3.18Å; S55-D58 VanDerWaalsContact O-N 3.12Å; S55-D58 PolarHBondContact OG-N 3.43Å; S55-D58 PolarHBondContact OG-OD2 2.75Å; T56-D58 VanDerWaalsContact C-N 3.34Å; D58-R61 WeakPolarHBondContact O-CB 3.46Å; D58-R61 PolarHBondContact O-N 3.04Å; D58-R61 IonicContact OD1-CZ 3.8Å; D58-R61 IonicContact OD1-NH1 3.52Å; D58-R61 PolarHBondContact OD1-NH1 2.6Å; D58-R61 IonicContact OD1-NH2 3.58Å; D58-R61 PolarHBondContact OD1-NH2 3.49Å; D58-E62 PolarHBondContact O-N 3.27Å |
| 59 | L | 85.2 | Confident | 84.4 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65 | -45 | 173.4 | -64 | 179.7 | 0 | 0 | 0 | 111.9 | V43 V45 F48 R61 E62 A63 L87 | V43-L59 HydrophobicContact CG1-CD1 4.16Å; V43-L59 HydrophobicContact CG1-CD2 3.9Å; V45-L59 HydrophobicContact CG1-CD1 4.47Å; V45-L59 HydrophobicContact CG2-CD1 4.25Å; F48-L59 HydrophobicContact CB-CD1 4.44Å; F48-L59 HydrophobicContact CD1-CD1 3.83Å; F48-L59 HydrophobicContact CD1-CD2 4.03Å; F48-L59 HydrophobicContact CD1-CG 3.78Å; F48-L59 HydrophobicContact CD2-CD2 3.93Å; F48-L59 HydrophobicContact CE1-CD1 4.24Å; F48-L59 HydrophobicContact CE1-CD2 3.8Å; F48-L59 HydrophobicContact CE1-CG 3.65Å; F48-L59 HydrophobicContact CE2-CD2 3.7Å; F48-L59 HydrophobicContact CE2-CG 4.45Å; F48-L59 HydrophobicContact CG-CD1 4.08Å; F48-L59 HydrophobicContact CG-CD2 4.1Å; F48-L59 HydrophobicContact CG-CG 4.24Å; F48-L59 HydrophobicContact CZ-CD2 3.63Å; F48-L59 HydrophobicContact CZ-CG 4.01Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.49Å; L59-E62 PolarHBondContact O-N 3.06Å; L59-A63 PolarHBondContact O-N 2.99Å; L59-L87 HydrophobicContact CB-CD2 4.09Å; L59-L87 HydrophobicContact CD1-CD2 4.44Å |
| 60 | K | 87.1 | Confident | 85 | Confident | 145 Ų | 145 | 61.7 Ų | 61.7 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.8 | -38 | 174 | -74.4 | 174.6 | 179.9 | 179.1 | 0 | 111.6 | T56 E57 S64 | T56-K60 WeakPolarHBondContact O-CG 3.25Å; T56-K60 PolarHBondContact O-N 3.39Å; T56-K60 VanDerWaalsContact O-N 3.11Å; E57-K60 PolarHBondContact O-N 2.76Å; K60-S64 VanDerWaalsContact O-CB 3.29Å; K60-S64 WeakPolarHBondContact O-CB 3.25Å; K60-S64 PolarHBondContact O-N 3.44Å; K60-S64 PolarHBondContact O-OG 2.95Å |
| 61 | R | 90.2 | Very high | 86 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 176.3 | -161.9 | -173.2 | -47.9 | 112.8 | 5.9 | 112 | E57 D58 L59 S64 I65 | E57-R61 VanDerWaalsContact O-CB 3.29Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 3.48Å; D58-R61 WeakPolarHBondContact O-CB 3.46Å; D58-R61 PolarHBondContact O-N 3.04Å; D58-R61 IonicContact OD1-CZ 3.8Å; D58-R61 IonicContact OD1-NH1 3.52Å; D58-R61 PolarHBondContact OD1-NH1 2.6Å; D58-R61 IonicContact OD1-NH2 3.58Å; D58-R61 PolarHBondContact OD1-NH2 3.49Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.49Å; R61-S64 PolarHBondContact O-N 3.04Å; R61-I65 HydrophobicContact CG-CD1 3.99Å; R61-I65 WeakPolarHBondContact O-CB 3.33Å; R61-I65 WeakPolarHBondContact O-CG1 3.31Å; R61-I65 PolarHBondContact O-N 3.49Å |
| 62 | E | 90.3 | Very high | 87.3 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.5 | -50.8 | 175.1 | -178.7 | 179.6 | -161.5 | 0 | 0 | 110.9 | K41 D58 L59 S64 I65 C66 M89 G164 | K41-E62 IonicContact NZ-OE1 3.88Å; K41-E62 PolarHBondContact NZ-OE1 2.79Å; K41-E62 IonicContact NZ-OE2 3.53Å; K41-E62 PolarHBondContact NZ-OE2 2.9Å; D58-E62 PolarHBondContact O-N 3.27Å; L59-E62 PolarHBondContact O-N 3.06Å; E62-S64 PolarHBondContact O-N 3.31Å; E62-I65 PolarHBondContact O-N 3.45Å; E62-C66 VanDerWaalsContact O-CB 3.29Å; E62-C66 WeakPolarHBondContact O-CB 3.46Å; E62-C66 PolarHBondContact O-N 3.01Å; E62-C66 PolarHBondContact O-SG 2.97Å; E62-M89 HydrophobicContact CG-CE 4.21Å; E62-G164 VanDerWaalsContact OE1-CA 3.29Å; E62-G164 WeakPolarHBondContact OE1-CA 3.28Å; E62-G164 PolarHBondContact OE1-N 2.78Å |
| 63 | A | 89.4 | Confident | 88.8 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L59 C66 H67 M89 | L59-A63 PolarHBondContact O-N 2.99Å; A63-C66 PolarHBondContact O-N 3.04Å; A63-H67 VanDerWaalsContact O-CB 3.27Å; A63-H67 WeakPolarHBondContact O-CB 3.21Å; A63-H67 PolarHBondContact O-N 2.92Å; A63-M89 HydrophobicContact CB-CE 3.87Å |
| 64 | S | 92.9 | Very high | 90.3 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 179.6 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | K60 R61 E62 H67 M68 | K60-S64 VanDerWaalsContact O-CB 3.29Å; K60-S64 WeakPolarHBondContact O-CB 3.25Å; K60-S64 PolarHBondContact O-N 3.44Å; K60-S64 PolarHBondContact O-OG 2.95Å; R61-S64 PolarHBondContact O-N 3.04Å; E62-S64 PolarHBondContact O-N 3.31Å; S64-H67 PolarHBondContact O-N 3.44Å; S64-M68 VanDerWaalsContact O-CG 3.28Å; S64-M68 WeakPolarHBondContact O-CG 3.37Å; S64-M68 PolarHBondContact O-N 3.27Å |
| 65 | I | 94.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 177.8 | -73 | 173.1 | 0 | 0 | 0 | 110.6 | R61 E62 H67 M68 L69 I137 F163 A166 | R61-I65 HydrophobicContact CG-CD1 3.99Å; R61-I65 WeakPolarHBondContact O-CB 3.33Å; R61-I65 WeakPolarHBondContact O-CG1 3.31Å; R61-I65 PolarHBondContact O-N 3.49Å; E62-I65 PolarHBondContact O-N 3.45Å; I65-H67 VanDerWaalsContact C-N 3.3Å; I65-H67 PolarHBondContact O-N 3.1Å; I65-M68 PolarHBondContact O-N 3.34Å; I65-L69 HydrophobicContact CG2-CD1 3.77Å; I65-L69 HydrophobicContact CG2-CG 4.46Å; I65-L69 VanDerWaalsContact O-CG 3.3Å; I65-L69 WeakPolarHBondContact O-CG 3.38Å; I65-L69 PolarHBondContact O-N 3.15Å; I65-I137 HydrophobicContact CG2-CD1 4.24Å; I65-I137 HydrophobicContact CG2-CG2 3.93Å; I65-F163 HydrophobicContact CG2-CB 4.35Å; I65-F163 HydrophobicContact CG2-CD1 4.22Å; I65-A166 HydrophobicContact CD1-CB 4.1Å; I65-A166 HydrophobicContact CG2-CB 4.13Å |
| 66 | C | 92.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 178.3 | -72.9 | 0 | 0 | 0 | 0 | 112.6 | E62 A63 L77 F91 | E62-C66 VanDerWaalsContact O-CB 3.29Å; E62-C66 WeakPolarHBondContact O-CB 3.46Å; E62-C66 PolarHBondContact O-N 3.01Å; E62-C66 PolarHBondContact O-SG 2.97Å; A63-C66 PolarHBondContact O-N 3.04Å; C66-L77 HydrophobicContact CB-CB 3.8Å; C66-L77 HydrophobicContact CB-CD2 3.57Å; C66-L77 HydrophobicContact CB-CG 4.3Å; C66-F91 HydrophobicContact CB-CE1 4.2Å; C66-F91 HydrophobicContact CB-CZ 4.47Å |
| 67 | H | 92.6 | Very high | 92.5 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 53% | 0.532 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.3 | -36.6 | 177.4 | -174 | 85.8 | 0 | 0 | 0 | 112.4 | A63 S64 I65 K70 L77 | A63-H67 VanDerWaalsContact O-CB 3.27Å; A63-H67 WeakPolarHBondContact O-CB 3.21Å; A63-H67 PolarHBondContact O-N 2.92Å; S64-H67 PolarHBondContact O-N 3.44Å; I65-H67 VanDerWaalsContact C-N 3.3Å; I65-H67 PolarHBondContact O-N 3.1Å; H67-K70 WeakPolarHBondContact O-CE 3.29Å; H67-L77 HydrophobicContact CB-CD2 4.27Å |
| 68 | M | 92.9 | Very high | 93 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 41% | 0.409 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.3 | -29.5 | 176.8 | -72.6 | 171.3 | 61.3 | 0 | 0 | 113.7 | S64 I65 K70 | S64-M68 VanDerWaalsContact O-CG 3.28Å; S64-M68 WeakPolarHBondContact O-CG 3.37Å; S64-M68 PolarHBondContact O-N 3.27Å; I65-M68 PolarHBondContact O-N 3.34Å; M68-K70 PolarHBondContact O-N 3.14Å |
| 69 | L | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | -86.5 | 103.1 | -171.1 | -69.9 | 172.5 | 0 | 0 | 0 | 112.3 | I65 I74 Y131 I137 F163 | I65-L69 HydrophobicContact CG2-CD1 3.77Å; I65-L69 HydrophobicContact CG2-CG 4.46Å; I65-L69 VanDerWaalsContact O-CG 3.3Å; I65-L69 WeakPolarHBondContact O-CG 3.38Å; I65-L69 PolarHBondContact O-N 3.15Å; L69-I74 HydrophobicContact CB-CD1 4.25Å; L69-I74 HydrophobicContact CB-CG2 4.17Å; L69-I74 HydrophobicContact CD1-CD1 4.48Å; L69-I74 HydrophobicContact CD2-CD1 4.21Å; L69-Y131 HydrophobicContact CB-CE1 4.45Å; L69-Y131 HydrophobicContact CD2-CD1 3.9Å; L69-Y131 HydrophobicContact CD2-CE1 3.66Å; L69-I137 HydrophobicContact CD1-CD1 4.46Å; L69-I137 HydrophobicContact CD2-CD1 3.77Å; L69-I137 HydrophobicContact CG-CD1 4.09Å; L69-F163 HydrophobicContact CD1-CD1 3.72Å; L69-F163 HydrophobicContact CD1-CD2 4.49Å; L69-F163 HydrophobicContact CD1-CE1 3.43Å; L69-F163 VanDerWaalsContact CD1-CE1 3.43Å; L69-F163 HydrophobicContact CD1-CE2 4.25Å; L69-F163 HydrophobicContact CD1-CG 4.26Å; L69-F163 HydrophobicContact CD1-CZ 3.73Å | ||
| 70 | K | 94.9 | Very high | 93.7 | Very high | 81 Ų | 81 | 51 Ų | 51 | 35% | 0.352 | 26% | 0.259 | S | S | . | . | trans | -120.5 | 96.5 | 178.8 | -57.8 | -63.1 | -173.3 | 171.7 | 0 | 110.8 | H67 M68 E76 L77 Y131 | H67-K70 WeakPolarHBondContact O-CE 3.29Å; M68-K70 PolarHBondContact O-N 3.14Å; K70-E76 HydrophobicContact CD-CG 3.91Å; K70-E76 VanDerWaalsContact CD-OE1 3.3Å; K70-E76 WeakPolarHBondContact CD-OE1 3.19Å; K70-E76 WeakPolarHBondContact CE-OE1 3.11Å; K70-E76 IonicContact NZ-OE1 3.81Å; K70-E76 PolarHBondContact NZ-OE1 2.93Å; K70-L77 PolarHBondContact NZ-O 2.95Å; K70-Y131 PolarHBondContact N-OH 2.98Å; K70-Y131 PolarHBondContact O-OH 2.79Å | ||
| 71 | H | 97.1 | Very high | 94 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | trans | -150.8 | 141.1 | -175.1 | -174.7 | -100.4 | 0 | 0 | 0 | 111.6 | H73 I74 Y131 | H71-H73 PolarHBondContact ND1-N 3.23Å; H71-H73 PolarHBondContact O-N 3.11Å; H71-I74 HydrophobicContact CB-CB 4.18Å; H71-I74 HydrophobicContact CB-CD1 3.89Å; H71-I74 HydrophobicContact CB-CG1 4Å; H71-I74 PolarHBondContact O-N 2.92Å; H71-Y131 HydrophobicContact CB-CD1 3.76Å; H71-Y131 HydrophobicContact CB-CD2 4.32Å; H71-Y131 HydrophobicContact CB-CE1 3.95Å; H71-Y131 HydrophobicContact CB-CE2 4.49Å; H71-Y131 HydrophobicContact CB-CG 3.94Å; H71-Y131 AromaticContact CD2-CD2 3.74Å; H71-Y131 AromaticContact CD2-CG 3.72Å; H71-Y131 AromaticContact CG-CG 3.91Å | ||
| 72 | P | 96.6 | Very high | 93.9 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -13.9 | -176.5 | 24.5 | -37.1 | 0 | 0 | 0 | 115.7 | K159 | P72-K159 WeakPolarHBondContact O-CE 3.26Š|
| 73 | H | 97.9 | Very high | 93.6 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 15% | 0.148 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 19 | 175.1 | -62.1 | -57.5 | 0 | 0 | 0 | 113.4 | H71 Q124 A128 V158 K159 L160 | H71-H73 PolarHBondContact ND1-N 3.23Å; H71-H73 PolarHBondContact O-N 3.11Å; H73-Q124 PolarHBondContact CE1-OE1 3.37Å; H73-Q124 PolarHBondContact ND1-OE1 2.81Å; H73-A128 HydrophobicContact CB-CB 3.81Å; H73-A128 WeakPolarHBondContact O-CB 3.4Å; H73-V158 PolarHBondContact ND1-O 3.43Å; H73-K159 WeakPolarHBondContact O-CA 3.45Å; H73-L160 PolarHBondContact O-N 2.99Å |
| 74 | I | 98 | Very high | 93.4 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 144.2 | 171.1 | -66.1 | 179.3 | 0 | 0 | 0 | 108.1 | L69 H71 E76 A128 Y131 L160 F163 | L69-I74 HydrophobicContact CB-CD1 4.25Å; L69-I74 HydrophobicContact CB-CG2 4.17Å; L69-I74 HydrophobicContact CD1-CD1 4.48Å; L69-I74 HydrophobicContact CD2-CD1 4.21Å; H71-I74 HydrophobicContact CB-CB 4.18Å; H71-I74 HydrophobicContact CB-CD1 3.89Å; H71-I74 HydrophobicContact CB-CG1 4Å; H71-I74 PolarHBondContact O-N 2.92Å; I74-E76 PolarHBondContact O-N 3.38Å; I74-A128 HydrophobicContact CG1-CB 3.93Å; I74-Y131 HydrophobicContact CD1-CD1 3.68Å; I74-Y131 HydrophobicContact CD1-CE1 4.27Å; I74-L160 CarbonylContact C-O 3.58Å; I74-L160 WeakPolarHBondContact CA-O 3.31Å; I74-F163 HydrophobicContact CD1-CZ 4.43Å; I74-F163 HydrophobicContact CG2-CE2 3.8Å; I74-F163 HydrophobicContact CG2-CZ 4.02Å |
| 75 | V | 96.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | trans | -73.8 | 111.5 | 172.8 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | F91 E92 M94 L148 K159 L160 | V75-F91 HydrophobicContact CG1-CB 4.16Å; V75-F91 HydrophobicContact CG1-CD1 4.1Å; V75-F91 HydrophobicContact CG1-CG 4.49Å; V75-E92 WeakPolarHBondContact CA-OE1 3.49Å; V75-E92 HydrophobicContact CG1-CG 4.03Å; V75-M94 HydrophobicContact CG2-CG 4.37Å; V75-M94 HydrophobicContact CG2-SD 4.1Å; V75-L148 HydrophobicContact CG2-CD1 4.46Å; V75-K159 HydrophobicContact CG2-CB 3.73Å; V75-L160 PolarHBondContact N-O 3.17Å | ||
| 76 | E | 95.4 | Very high | 92.6 | Very high | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | trans | -74.2 | 129 | -174.9 | -177.6 | 167 | 179 | 0 | 0 | 112.6 | K70 I74 F91 E92 | K70-E76 HydrophobicContact CD-CG 3.91Å; K70-E76 VanDerWaalsContact CD-OE1 3.3Å; K70-E76 WeakPolarHBondContact CD-OE1 3.19Å; K70-E76 WeakPolarHBondContact CE-OE1 3.11Å; K70-E76 IonicContact NZ-OE1 3.81Å; K70-E76 PolarHBondContact NZ-OE1 2.93Å; I74-E76 PolarHBondContact O-N 3.38Å; E76-F91 VanDerWaalsContact O-CA 3.26Å; E76-F91 WeakPolarHBondContact O-CA 3.19Å; E76-E92 HydrophobicContact CB-CG 4.18Å; E76-E92 PolarHBondContact N-OE1 3.21Å; E76-E92 PolarHBondContact O-N 2.82Å; E76-E92 VanDerWaalsContact O-N 3.09Å | ||
| 77 | L | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 124.3 | 161.1 | 178.8 | 67.7 | 0 | 0 | 0 | 108.6 | C66 H67 K70 T80 M89 F91 | C66-L77 HydrophobicContact CB-CB 3.8Å; C66-L77 HydrophobicContact CB-CD2 3.57Å; C66-L77 HydrophobicContact CB-CG 4.3Å; H67-L77 HydrophobicContact CB-CD2 4.27Å; K70-L77 PolarHBondContact NZ-O 2.95Å; L77-T80 HydrophobicContact CD1-CG2 4.18Å; L77-T80 HydrophobicContact CD2-CG2 3.91Å; L77-T80 HydrophobicContact CG-CG2 4.4Å; L77-M89 HydrophobicContact CD1-CB 3.83Å; L77-M89 HydrophobicContact CD1-CE 4.25Å; L77-M89 HydrophobicContact CD2-CE 3.88Å; L77-F91 HydrophobicContact CB-CD1 3.92Å; L77-F91 HydrophobicContact CB-CE1 3.74Å; L77-F91 HydrophobicContact CB-CZ 4.39Å; L77-F91 HydrophobicContact CD1-CD1 4.2Å; L77-F91 HydrophobicContact CD1-CD2 4.17Å; L77-F91 HydrophobicContact CD1-CE1 4.02Å; L77-F91 HydrophobicContact CD1-CE2 3.98Å; L77-F91 HydrophobicContact CD1-CG 4.29Å; L77-F91 HydrophobicContact CD1-CZ 3.91Å; L77-F91 HydrophobicContact CG-CE1 4.42Å |
| 78 | L | 93.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -57.6 | 177.4 | -62.2 | 95.2 | 0 | 0 | 0 | 110.3 | F38 V90 F91 E92 | F38-L78 HydrophobicContact CD1-CD1 4.03Å; F38-L78 HydrophobicContact CD1-CD2 4.44Å; F38-L78 HydrophobicContact CE1-CD1 4.1Å; F38-L78 HydrophobicContact CE1-CD2 3.72Å; L78-V90 PolarHBondContact N-O 2.76Å; L78-F91 VanDerWaalsContact CD1-C 3.49Å; L78-E92 HydrophobicContact CD1-CB 4.22Å |
| 79 | E | 91.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 38% | 0.379 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 158 | -167.1 | -65.4 | 176.1 | 149.4 | 0 | 0 | 112 | Y12 Y81 V90 | Y12-E79 WeakPolarHBondContact CE2-OE2 3.42Å; Y12-E79 PolarHBondContact OH-OE2 3.2Å; E79-Y81 HydrophobicContact CB-CE2 3.91Å; E79-Y81 PolarHBondContact OE2-OH 2.76Å; E79-V90 HydrophobicContact CB-CB 4.3Å; E79-V90 PolarHBondContact N-O 3.29Å; E79-V90 PolarHBondContact O-N 2.81Å |
| 80 | T | 92.4 | Very high | 92.5 | Very high | 72 Ų | 72 | 47.6 Ų | 47.6 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 134.6 | 176.7 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | L77 Y88 M89 | L77-T80 HydrophobicContact CD1-CG2 4.18Å; L77-T80 HydrophobicContact CD2-CG2 3.91Å; L77-T80 HydrophobicContact CG-CG2 4.4Å; T80-Y88 CarbonylContact C-O 3.58Å; T80-Y88 VanDerWaalsContact CA-O 3.25Å; T80-Y88 WeakPolarHBondContact CA-O 3.36Å; T80-M89 HydrophobicContact CG2-CG 4.29Å |
| 81 | Y | 92.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 14% | 0.137 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.3 | 177.7 | -56.2 | -100 | 0 | 0 | 0 | 110.3 | F8 Y12 E79 Y88 V90 | F8-Y81 HydrophobicContact CB-CD1 4.29Å; F8-Y81 HydrophobicContact CB-CD2 4.18Å; F8-Y81 HydrophobicContact CB-CG 3.88Å; F8-Y81 AromaticContact CD2-CD2 3.8Å; F8-Y81 HydrophobicContact CD2-CD2 3.8Å; F8-Y81 HydrophobicContact CD2-CE2 4.16Å; F8-Y81 HydrophobicContact CD2-CG 4.36Å; F8-Y81 HydrophobicContact CG-CD2 4.49Å; Y12-Y81 HydrophobicContact CD2-CE2 4.2Å; Y12-Y81 AromaticContact CE2-CE2 3.98Å; Y12-Y81 HydrophobicContact CE2-CE2 3.98Å; E79-Y81 HydrophobicContact CB-CE2 3.91Å; E79-Y81 PolarHBondContact OE2-OH 2.76Å; Y81-Y88 PolarHBondContact N-O 3.18Å; Y81-Y88 PolarHBondContact O-N 3.26Å; Y81-V90 HydrophobicContact CD2-CG2 4.21Å; Y81-V90 HydrophobicContact CE2-CG2 4.06Å |
| 82 | S | 88.6 | Confident | 92.4 | Very high | 99 Ų | 99 | 45.5 Ų | 45.5 | 69% | 0.692 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 119.4 | 172.4 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | M86 | S82-M86 WeakPolarHBondContact CA-O 3.34Å |
| 83 | S | 84.4 | Confident | 92.3 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 148.4 | 174.5 | -162.2 | 0 | 0 | 0 | 0 | 109.2 | G85 M86 | S83-G85 PolarHBondContact O-N 2.92Å; S83-M86 PolarHBondContact N-O 2.73Å; S83-M86 WeakPolarHBondContact O-CA 3.41Å; S83-M86 WeakPolarHBondContact O-CB 3.47Å; S83-M86 PolarHBondContact O-N 3.44Å |
| 84 | D | 84.1 | Confident | 92.1 | Very high | 144 Ų | 144 | 43 Ų | 43 | 77% | 0.77 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 33 | 168 | -53.7 | -70.3 | 0 | 0 | 0 | 115.9 | M86 | D84-M86 PolarHBondContact O-N 3.18Š|
| 85 | G | 82.9 | Confident | 91.5 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 3.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V45 S83 | V45-G85 VanDerWaalsContact CB-O 3.29Å; V45-G85 WeakPolarHBondContact CB-O 3.33Å; V45-G85 VanDerWaalsContact CG2-O 3.3Å; V45-G85 WeakPolarHBondContact CG2-O 3.41Å; V45-G85 PolarHBondContact N-O 3.38Å; S83-G85 PolarHBondContact O-N 2.92Å |
| 86 | M | 88.1 | Confident | 90.9 | Very high | 57 Ų | 57 | 45.8 Ų | 45.8 | 28% | 0.281 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139.7 | 176.5 | -61.6 | -70.7 | 163.4 | 0 | 0 | 111 | I42 V43 D44 S82 S83 D84 Y88 | I42-M86 HydrophobicContact CG2-CB 4.23Å; I42-M86 HydrophobicContact CG2-SD 4.23Å; V43-M86 WeakPolarHBondContact O-CA 3.38Å; D44-M86 HydrophobicContact CB-CE 3.9Å; D44-M86 HydrophobicContact CB-SD 3.85Å; D44-M86 WeakPolarHBondContact OD2-CE 3.11Å; S82-M86 WeakPolarHBondContact CA-O 3.34Å; S83-M86 PolarHBondContact N-O 2.73Å; S83-M86 WeakPolarHBondContact O-CA 3.41Å; S83-M86 WeakPolarHBondContact O-CB 3.47Å; S83-M86 PolarHBondContact O-N 3.44Å; D84-M86 PolarHBondContact O-N 3.18Å; M86-Y88 HydrophobicContact CB-CD2 4.26Å; M86-Y88 HydrophobicContact CB-CE2 3.52Å |
| 87 | L | 89.1 | Confident | 90.6 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.7 | 170.3 | 176.3 | 67.7 | 0 | 0 | 0 | 109.3 | I42 V43 V45 L59 M89 | I42-L87 CarbonylContact C-O 3.52Å; I42-L87 WeakPolarHBondContact CA-O 3.34Å; V43-L87 HydrophobicContact CB-CB 4.35Å; V43-L87 PolarHBondContact N-O 2.85Å; V43-L87 PolarHBondContact O-N 2.88Å; V45-L87 HydrophobicContact CG2-CB 4.06Å; L59-L87 HydrophobicContact CB-CD2 4.09Å; L59-L87 HydrophobicContact CD1-CD2 4.44Å; L87-M89 HydrophobicContact CD2-CG 4.48Å; L87-M89 HydrophobicContact CD2-SD 4.42Å; L87-M89 HydrophobicContact CG-CG 4.25Å |
| 88 | Y | 92.9 | Very high | 90.4 | Very high | 19 Ų | 19 | 45.2 Ų | 45.2 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 179.2 | -57.2 | -108.4 | 0 | 0 | 0 | 108.8 | F8 V40 K41 I42 T80 Y81 M86 | F8-Y88 HydrophobicContact CB-CD1 4.17Å; F8-Y88 HydrophobicContact CB-CD2 4.39Å; F8-Y88 HydrophobicContact CB-CE1 4.46Å; F8-Y88 HydrophobicContact CB-CG 4.15Å; F8-Y88 AromaticContact CD1-CD1 3.62Å; F8-Y88 HydrophobicContact CD1-CD1 3.62Å; F8-Y88 AromaticContact CD1-CE1 3.68Å; F8-Y88 HydrophobicContact CD1-CE1 3.68Å; F8-Y88 HydrophobicContact CD1-CG 4.41Å; F8-Y88 AromaticContact CD2-CD1 3.94Å; F8-Y88 HydrophobicContact CD2-CD1 3.94Å; F8-Y88 HydrophobicContact CD2-CG 4.17Å; F8-Y88 HydrophobicContact CE1-CD1 4.02Å; F8-Y88 HydrophobicContact CE1-CE1 4.17Å; F8-Y88 HydrophobicContact CE2-CD1 4.3Å; F8-Y88 AromaticContact CG-CD1 3.59Å; F8-Y88 HydrophobicContact CG-CD1 3.59Å; F8-Y88 HydrophobicContact CG-CE1 4.03Å; F8-Y88 AromaticContact CG-CG 3.95Å; F8-Y88 HydrophobicContact CG-CG 3.95Å; F8-Y88 HydrophobicContact CZ-CD1 4.34Å; V40-Y88 HydrophobicContact CG2-CD1 4.09Å; K41-Y88 CarbonylContact O-C 3.55Å; K41-Y88 WeakPolarHBondContact O-CA 3.32Å; I42-Y88 HydrophobicContact CD1-CD1 4.17Å; I42-Y88 HydrophobicContact CD1-CE1 4.01Å; I42-Y88 HydrophobicContact CG1-CD1 3.84Å; I42-Y88 HydrophobicContact CG1-CE1 4.11Å; I42-Y88 HydrophobicContact CG2-CD1 4.13Å; I42-Y88 HydrophobicContact CG2-CE1 3.95Å; T80-Y88 CarbonylContact C-O 3.58Å; T80-Y88 VanDerWaalsContact CA-O 3.25Å; T80-Y88 WeakPolarHBondContact CA-O 3.36Å; Y81-Y88 PolarHBondContact N-O 3.18Å; Y81-Y88 PolarHBondContact O-N 3.26Å; M86-Y88 HydrophobicContact CB-CD2 4.26Å; M86-Y88 HydrophobicContact CB-CE2 3.52Å |
| 89 | M | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 111.7 | 177.5 | -57.9 | 179.4 | 67.1 | 0 | 0 | 108.9 | V40 K41 E62 A63 L77 T80 L87 F91 | V40-M89 CarbonylContact C-O 3.57Å; V40-M89 WeakPolarHBondContact CA-O 3.42Å; K41-M89 HydrophobicContact CB-CB 4.34Å; K41-M89 HydrophobicContact CD-SD 4.39Å; K41-M89 PolarHBondContact N-O 2.93Å; K41-M89 PolarHBondContact O-N 3.37Å; E62-M89 HydrophobicContact CG-CE 4.21Å; A63-M89 HydrophobicContact CB-CE 3.87Å; L77-M89 HydrophobicContact CD1-CB 3.83Å; L77-M89 HydrophobicContact CD1-CE 4.25Å; L77-M89 HydrophobicContact CD2-CE 3.88Å; T80-M89 HydrophobicContact CG2-CG 4.29Å; L87-M89 HydrophobicContact CD2-CG 4.48Å; L87-M89 HydrophobicContact CD2-SD 4.42Å; L87-M89 HydrophobicContact CG-CG 4.25Å; M89-F91 HydrophobicContact CB-CD2 4.34Å; M89-F91 HydrophobicContact CB-CE2 3.67Å; M89-F91 HydrophobicContact CB-CZ 4.38Å; M89-F91 HydrophobicContact CE-CE2 4.34Å; M89-F91 HydrophobicContact CE-CZ 3.98Å; M89-F91 WeakPolarHBondContact O-CD2 3.38Å |
| 90 | V | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 107.8 | -173.1 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | F8 Y12 F38 V40 L78 E79 Y81 | F8-V90 HydrophobicContact CD2-CG2 4.17Å; F8-V90 HydrophobicContact CE2-CG2 3.82Å; Y12-V90 HydrophobicContact CD2-CG2 4.49Å; Y12-V90 HydrophobicContact CE1-CG1 4.07Å; Y12-V90 HydrophobicContact CE2-CG1 4.36Å; Y12-V90 HydrophobicContact CE2-CG2 4.24Å; F38-V90 HydrophobicContact CB-CG1 3.78Å; F38-V90 HydrophobicContact CD1-CG1 4.24Å; F38-V90 HydrophobicContact CG-CG1 4.1Å; V40-V90 HydrophobicContact CB-CG2 4.46Å; V40-V90 HydrophobicContact CG2-CG2 4.16Å; L78-V90 PolarHBondContact N-O 2.76Å; E79-V90 HydrophobicContact CB-CB 4.3Å; E79-V90 PolarHBondContact N-O 3.29Å; E79-V90 PolarHBondContact O-N 2.81Å; Y81-V90 HydrophobicContact CD2-CG2 4.21Å; Y81-V90 HydrophobicContact CE2-CG2 4.06Å |
| 91 | F | 96 | Very high | 90.4 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 160.7 | 176.5 | -63.4 | -94.3 | 0 | 0 | 0 | 111.4 | F38 A39 K41 C66 V75 E76 L77 L78 M89 | F38-F91 WeakPolarHBondContact CB-O 3.45Å; A39-F91 PolarHBondContact N-O 3.48Å; A39-F91 PolarHBondContact O-N 3.21Å; K41-F91 HydrophobicContact CB-CE2 4.16Å; C66-F91 HydrophobicContact CB-CE1 4.2Å; C66-F91 HydrophobicContact CB-CZ 4.47Å; V75-F91 HydrophobicContact CG1-CB 4.16Å; V75-F91 HydrophobicContact CG1-CD1 4.1Å; V75-F91 HydrophobicContact CG1-CG 4.49Å; E76-F91 VanDerWaalsContact O-CA 3.26Å; E76-F91 WeakPolarHBondContact O-CA 3.19Å; L77-F91 HydrophobicContact CB-CD1 3.92Å; L77-F91 HydrophobicContact CB-CE1 3.74Å; L77-F91 HydrophobicContact CB-CZ 4.39Å; L77-F91 HydrophobicContact CD1-CD1 4.2Å; L77-F91 HydrophobicContact CD1-CD2 4.17Å; L77-F91 HydrophobicContact CD1-CE1 4.02Å; L77-F91 HydrophobicContact CD1-CE2 3.98Å; L77-F91 HydrophobicContact CD1-CG 4.29Å; L77-F91 HydrophobicContact CD1-CZ 3.91Å; L77-F91 HydrophobicContact CG-CE1 4.42Å; L78-F91 VanDerWaalsContact CD1-C 3.49Å; M89-F91 HydrophobicContact CB-CD2 4.34Å; M89-F91 HydrophobicContact CB-CE2 3.67Å; M89-F91 HydrophobicContact CB-CZ 4.38Å; M89-F91 HydrophobicContact CE-CE2 4.34Å; M89-F91 HydrophobicContact CE-CZ 3.98Å; M89-F91 WeakPolarHBondContact O-CD2 3.38Å |
| 92 | E | 94.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 142.1 | 166.8 | 53.8 | 169.4 | 154.3 | 0 | 0 | 111.7 | V75 E76 L78 M94 K159 | V75-E92 WeakPolarHBondContact CA-OE1 3.49Å; V75-E92 HydrophobicContact CG1-CG 4.03Å; E76-E92 HydrophobicContact CB-CG 4.18Å; E76-E92 PolarHBondContact N-OE1 3.21Å; E76-E92 PolarHBondContact O-N 2.82Å; E76-E92 VanDerWaalsContact O-N 3.09Å; L78-E92 HydrophobicContact CD1-CB 4.22Å; E92-M94 HydrophobicContact CB-CE 4.27Å; E92-M94 HydrophobicContact CG-CE 3.68Å; E92-M94 WeakPolarHBondContact OE2-CE 3.41Å; E92-K159 WeakPolarHBondContact OE1-CD 3.27Å; E92-K159 IonicContact OE1-NZ 2.69Å; E92-K159 PolarHBondContact OE1-NZ 3.16Å; E92-K159 IonicContact OE2-NZ 2.68Å; E92-K159 PolarHBondContact OE2-NZ 2.95Å |
| 93 | F | 93.7 | Very high | 90.6 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 125.6 | -179.4 | -176.8 | -104.6 | 0 | 0 | 0 | 111.9 | I18 R28 Q37 A39 D95 | I18-F93 HydrophobicContact CD1-CD2 4.3Å; I18-F93 HydrophobicContact CD1-CE2 3.95Å; R28-F93 HydrophobicContact CB-CE2 4.1Å; R28-F93 HydrophobicContact CG-CD2 3.95Å; R28-F93 HydrophobicContact CG-CE2 3.74Å; R28-F93 HydrophobicContact CG-CZ 4.34Å; Q37-F93 HydrophobicContact CB-CB 4.38Å; Q37-F93 HydrophobicContact CB-CD1 4.47Å; Q37-F93 HydrophobicContact CB-CG 4.46Å; Q37-F93 WeakPolarHBondContact O-CB 3.41Å; A39-F93 HydrophobicContact CB-CD2 4.3Å; F93-D95 HydrophobicContact CD1-CB 4.38Å; F93-D95 HydrophobicContact CE1-CB 4.03Å |
| 94 | M | 93.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 11% | 0.108 | 18% | 0.178 | C | C | . | . | trans | -92 | 115.4 | 171.7 | -56.3 | -67.4 | 87.8 | 0 | 0 | 109.6 | V75 E92 L148 A150 K159 | V75-M94 HydrophobicContact CG2-CG 4.37Å; V75-M94 HydrophobicContact CG2-SD 4.1Å; E92-M94 HydrophobicContact CB-CE 4.27Å; E92-M94 HydrophobicContact CG-CE 3.68Å; E92-M94 WeakPolarHBondContact OE2-CE 3.41Å; M94-L148 HydrophobicContact CB-CB 4.35Å; M94-L148 HydrophobicContact CB-CD1 4.34Å; M94-L148 HydrophobicContact CG-CB 3.98Å; M94-L148 HydrophobicContact CG-CD1 3.81Å; M94-L148 HydrophobicContact SD-CB 4.46Å; M94-A150 HydrophobicContact CE-CB 4.32Å; M94-A150 HydrophobicContact SD-CB 4.24Å; M94-K159 HydrophobicContact CE-CD 4.01Å; M94-K159 HydrophobicContact SD-CB 4.06Å; M94-K159 HydrophobicContact SD-CD 3.84Å; M94-K159 HydrophobicContact SD-CG 4.3Å | ||
| 95 | D | 87.2 | Confident | 91.1 | Very high | 67 Ų | 67 | 29 Ų | 29 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | trans | -82.8 | -13.9 | 179.8 | -179.2 | 64.3 | 0 | 0 | 0 | 113.2 | F93 A150 K152 | F93-D95 HydrophobicContact CD1-CB 4.38Å; F93-D95 HydrophobicContact CE1-CB 4.03Å; D95-A150 PolarHBondContact N-O 2.83Å; D95-K152 VanDerWaalsContact O-CE 3.24Å; D95-K152 WeakPolarHBondContact O-CE 3.35Å; D95-K152 WeakPolarHBondContact O-CG 3.14Å; D95-K152 PolarHBondContact O-NZ 2.95Å; D95-K152 IonicContact OD1-NZ 3.61Å; D95-K152 PolarHBondContact OD1-NZ 2.78Å; D95-K152 WeakPolarHBondContact OD2-CG 3.3Å; D95-K152 IonicContact OD2-NZ 2.66Å; D95-K152 PolarHBondContact OD2-NZ 3.44Å | ||
| 96 | G | 83.3 | Confident | 91.3 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 7% | 0.072 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -93.7 | 149.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L149 | G96-L149 VanDerWaalsContact CA-O 3.27Å; G96-L149 WeakPolarHBondContact CA-O 3.49Å; G96-L149 PolarHBondContact N-O 3.14Å; G96-L149 VanDerWaalsContact N-O 3.09Å |
| 97 | A | 87.8 | Confident | 91.1 | Very high | 44 Ų | 44 | 25.2 Ų | 25.2 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | trans | -73.2 | -175.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | F101 E102 L149 | A97-F101 HydrophobicContact CB-CB 4.18Å; A97-E102 HydrophobicContact CB-CG 4.07Å; A97-E102 WeakPolarHBondContact CB-OE1 3.46Å; A97-E102 PolarHBondContact N-OE1 2.7Å; A97-L149 PolarHBondContact O-N 2.86Å | ||
| 98 | D | 91.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -62.1 | 149.8 | 172.7 | 89.5 | 63.1 | 0 | 0 | 0 | 112.4 | C100 F101 E102 P144 V147 L148 R302 | D98-C100 PolarHBondContact O-N 3.34Å; D98-C100 VanDerWaalsContact O-N 3.07Å; D98-C100 WeakPolarHBondContact OD1-CB 3.45Å; D98-C100 PolarHBondContact OD1-N 2.95Å; D98-F101 PolarHBondContact O-N 3.06Å; D98-F101 VanDerWaalsContact OD2-CD2 3.28Å; D98-F101 WeakPolarHBondContact OD2-CD2 3.4Å; D98-E102 PolarHBondContact O-N 2.89Å; D98-P144 WeakPolarHBondContact CB-O 3.41Å; D98-V147 WeakPolarHBondContact CA-O 3.34Å; D98-L148 HydrophobicContact CB-CD2 3.95Å; D98-R302 IonicContact OD1-CZ 2.71Å; D98-R302 IonicContact OD1-NH1 3.88Å; D98-R302 PolarHBondContact OD1-NH1 3.08Å; D98-R302 VanDerWaalsContact OD1-NH1 3.12Å; D98-R302 IonicContact OD1-NH2 3.85Å; D98-R302 IonicContact OD2-CZ 2.58Å; D98-R302 IonicContact OD2-NH1 3.62Å; D98-R302 PolarHBondContact OD2-NH1 3.26Å; D98-R302 IonicContact OD2-NH2 3.93Å; D98-R302 PolarHBondContact OD2-NH2 3.03Å |
| 99 | L | 93.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.9 | -36.2 | -168.7 | -179.5 | 60.8 | 0 | 0 | 0 | 113 | I103 Y121 I125 V147 L149 V158 L212 | L99-I103 HydrophobicContact CD1-CD1 4.09Å; L99-I103 HydrophobicContact CD1-CG1 4.26Å; L99-I103 HydrophobicContact CG-CD1 3.89Å; L99-I103 WeakPolarHBondContact O-CB 3.35Å; L99-I103 WeakPolarHBondContact O-CD1 3.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.21Å; L99-I103 PolarHBondContact O-N 3.13Å; L99-Y121 HydrophobicContact CD1-CD1 4.09Å; L99-Y121 HydrophobicContact CD1-CD2 3.65Å; L99-Y121 HydrophobicContact CD1-CE1 4.13Å; L99-Y121 HydrophobicContact CD1-CE2 3.68Å; L99-Y121 HydrophobicContact CD1-CG 3.84Å; L99-Y121 HydrophobicContact CD2-CD2 4.14Å; L99-Y121 HydrophobicContact CD2-CG 4.05Å; L99-Y121 HydrophobicContact CG-CD2 4.35Å; L99-I125 HydrophobicContact CD2-CD1 4.17Å; L99-V147 HydrophobicContact CB-CB 4.41Å; L99-V147 HydrophobicContact CB-CG1 3.83Å; L99-V147 HydrophobicContact CD2-CG1 3.76Å; L99-V147 HydrophobicContact CG-CG1 4.43Å; L99-V147 PolarHBondContact N-O 3.46Å; L99-L149 HydrophobicContact CD1-CD1 3.81Å; L99-L149 HydrophobicContact CD1-CD2 4.47Å; L99-L149 HydrophobicContact CD1-CG 4.29Å; L99-V158 HydrophobicContact CD1-CG2 4.24Å; L99-L212 HydrophobicContact CD2-CD1 4.08Å; L99-L212 HydrophobicContact CD2-CD2 4.07Å; L99-L212 HydrophobicContact CG-CD2 4.32Å |
| 100 | C | 94.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.3 | -37 | -179.8 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | D98 L295 N299 | D98-C100 PolarHBondContact O-N 3.34Å; D98-C100 VanDerWaalsContact O-N 3.07Å; D98-C100 WeakPolarHBondContact OD1-CB 3.45Å; D98-C100 PolarHBondContact OD1-N 2.95Å; C100-L295 HydrophobicContact CB-CD2 4.32Å; C100-N299 VanDerWaalsContact CB-OD1 3.29Å; C100-N299 WeakPolarHBondContact CB-OD1 3.5Å; C100-N299 PolarHBondContact O-ND2 2.89Å |
| 101 | F | 91.6 | Very high | 88.5 | Confident | 65 Ų | 65 | 37.1 Ų | 37.1 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.5 | -44.9 | 175 | -81.5 | -93 | 0 | 0 | 0 | 111.8 | A97 D98 I103 V104 K105 N299 K303 | A97-F101 HydrophobicContact CB-CB 4.18Å; D98-F101 PolarHBondContact O-N 3.06Å; D98-F101 VanDerWaalsContact OD2-CD2 3.28Å; D98-F101 WeakPolarHBondContact OD2-CD2 3.4Å; F101-I103 VanDerWaalsContact C-N 3.31Å; F101-I103 PolarHBondContact O-N 3.11Å; F101-V104 PolarHBondContact O-N 2.69Å; F101-K105 WeakPolarHBondContact O-CB 3.38Å; F101-K105 PolarHBondContact O-N 3.49Å; F101-N299 WeakPolarHBondContact CA-ND2 3.42Å; F101-N299 HydrophobicContact CD1-CB 4.04Å; F101-N299 HydrophobicContact CD2-CB 4.33Å; F101-N299 HydrophobicContact CE1-CB 3.72Å; F101-N299 HydrophobicContact CE2-CB 4.04Å; F101-N299 HydrophobicContact CG-CB 4.34Å; F101-N299 HydrophobicContact CZ-CB 3.72Å; F101-N299 WeakPolarHBondContact CZ-O 3.39Å; F101-K303 HydrophobicContact CZ-CB 4.32Å |
| 102 | E | 91.5 | Very high | 88 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -30.1 | 179.7 | -70.8 | -62.3 | 156.5 | 0 | 0 | 112.8 | A97 D98 K105 R106 L149 | A97-E102 HydrophobicContact CB-CG 4.07Å; A97-E102 WeakPolarHBondContact CB-OE1 3.46Å; A97-E102 PolarHBondContact N-OE1 2.7Å; D98-E102 PolarHBondContact O-N 2.89Å; E102-K105 IonicContact OE1-NZ 2.7Å; E102-K105 PolarHBondContact OE1-NZ 2.99Å; E102-K105 WeakPolarHBondContact OE2-CD 3.47Å; E102-K105 IonicContact OE2-NZ 2.72Å; E102-K105 PolarHBondContact OE2-NZ 2.84Å; E102-R106 VanDerWaalsContact O-CB 3.23Å; E102-R106 WeakPolarHBondContact O-CB 3.34Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 2.66Å; E102-L149 HydrophobicContact CB-CD1 3.36Å; E102-L149 HydrophobicContact CG-CD1 3.62Å |
| 103 | I | 93.1 | Very high | 88 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 171.7 | -74.7 | 161.3 | 0 | 0 | 0 | 111.2 | L99 F101 A107 Y113 Y121 L212 L295 | L99-I103 HydrophobicContact CD1-CD1 4.09Å; L99-I103 HydrophobicContact CD1-CG1 4.26Å; L99-I103 HydrophobicContact CG-CD1 3.89Å; L99-I103 WeakPolarHBondContact O-CB 3.35Å; L99-I103 WeakPolarHBondContact O-CD1 3.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.21Å; L99-I103 PolarHBondContact O-N 3.13Å; F101-I103 VanDerWaalsContact C-N 3.31Å; F101-I103 PolarHBondContact O-N 3.11Å; I103-A107 VanDerWaalsContact O-CB 3.31Å; I103-A107 WeakPolarHBondContact O-CB 3.4Å; I103-A107 PolarHBondContact O-N 3.06Å; I103-Y113 HydrophobicContact CB-CD2 4.37Å; I103-Y113 HydrophobicContact CB-CE2 4.38Å; I103-Y113 HydrophobicContact CD1-CD2 4.31Å; I103-Y113 HydrophobicContact CD1-CE2 3.51Å; I103-Y113 HydrophobicContact CG1-CD2 3.95Å; I103-Y113 HydrophobicContact CG1-CE2 3.64Å; I103-Y113 HydrophobicContact CG2-CD1 3.9Å; I103-Y113 HydrophobicContact CG2-CD2 3.56Å; I103-Y113 HydrophobicContact CG2-CE1 4.09Å; I103-Y113 HydrophobicContact CG2-CE2 3.78Å; I103-Y113 HydrophobicContact CG2-CG 3.63Å; I103-Y121 HydrophobicContact CD1-CD2 4.46Å; I103-Y121 HydrophobicContact CD1-CE2 4.31Å; I103-Y121 HydrophobicContact CG1-CE2 4.13Å; I103-L212 HydrophobicContact CD1-CD2 3.44Å; I103-L212 VanDerWaalsContact CD1-CD2 3.44Å; I103-L295 HydrophobicContact CB-CD1 4.3Å; I103-L295 HydrophobicContact CD1-CD1 4.49Å; I103-L295 HydrophobicContact CG2-CD1 3.59Å |
| 104 | V | 90.9 | Very high | 88.1 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 179.9 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | F101 R106 A107 D108 L295 R296 N299 | F101-V104 PolarHBondContact O-N 2.69Å; V104-R106 PolarHBondContact O-N 2.99Å; V104-A107 PolarHBondContact O-N 3.28Å; V104-A107 VanDerWaalsContact O-N 3.16Å; V104-D108 PolarHBondContact O-N 2.81Å; V104-L295 HydrophobicContact CG2-CB 3.6Å; V104-R296 HydrophobicContact CG1-CB 4.07Å; V104-R296 HydrophobicContact CG1-CG 4.13Å; V104-R296 HydrophobicContact CG2-CB 4.47Å; V104-N299 WeakPolarHBondContact CG2-ND2 3.25Å |
| 105 | K | 87.7 | Confident | 88.2 | Confident | 92 Ų | 92 | 34.7 Ų | 34.7 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 179.1 | 174.4 | 178.1 | 157.5 | -133.7 | 0 | 113 | F101 E102 A109 | F101-K105 WeakPolarHBondContact O-CB 3.38Å; F101-K105 PolarHBondContact O-N 3.49Å; E102-K105 IonicContact OE1-NZ 2.7Å; E102-K105 PolarHBondContact OE1-NZ 2.99Å; E102-K105 WeakPolarHBondContact OE2-CD 3.47Å; E102-K105 IonicContact OE2-NZ 2.72Å; E102-K105 PolarHBondContact OE2-NZ 2.84Å; K105-A109 PolarHBondContact O-N 3.44Å |
| 106 | R | 86.8 | Confident | 88.5 | Confident | 11 Ų | 11 | 32 Ų | 32 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 173.4 | -73.1 | 177.7 | -178.2 | 130.8 | 0.5 | 110.9 | E102 V104 A109 G110 F111 Y121 E153 N154 | E102-R106 VanDerWaalsContact O-CB 3.23Å; E102-R106 WeakPolarHBondContact O-CB 3.34Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 2.66Å; V104-R106 PolarHBondContact O-N 2.99Å; R106-A109 CarbonylContact O-C 3.57Å; R106-A109 WeakPolarHBondContact O-CA 3.47Å; R106-A109 WeakPolarHBondContact O-CB 3.35Å; R106-A109 PolarHBondContact O-N 3.28Å; R106-G110 PolarHBondContact O-N 3.38Å; R106-F111 VanDerWaalsContact C-CB 3.44Å; R106-F111 HydrophobicContact CB-CB 3.73Å; R106-F111 HydrophobicContact CB-CD1 4.24Å; R106-F111 HydrophobicContact CB-CG 4.01Å; R106-F111 WeakPolarHBondContact O-CB 3.49Å; R106-F111 PolarHBondContact O-N 2.91Å; R106-Y121 PolarHBondContact NH1-OH 3.02Å; R106-E153 PolarHBondContact NH2-O 3.16Å; R106-N154 WeakPolarHBondContact CD-OD1 3.19Å |
| 107 | A | 83.6 | Confident | 89 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I103 V104 A109 G110 F111 V292 | I103-A107 VanDerWaalsContact O-CB 3.31Å; I103-A107 WeakPolarHBondContact O-CB 3.4Å; I103-A107 PolarHBondContact O-N 3.06Å; V104-A107 PolarHBondContact O-N 3.28Å; V104-A107 VanDerWaalsContact O-N 3.16Å; A107-A109 PolarHBondContact O-N 3.2Å; A107-G110 WeakPolarHBondContact O-CA 3.3Å; A107-G110 PolarHBondContact O-N 3.03Å; A107-F111 WeakPolarHBondContact CA-O 3.43Å; A107-V292 HydrophobicContact CB-CB 4.41Å; A107-V292 HydrophobicContact CB-CG1 3.58Å; A107-V292 HydrophobicContact CB-CG2 3.89Å |
| 108 | D | 80.6 | Confident | 89.5 | Confident | 97 Ų | 97 | 30.7 Ų | 30.7 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.9 | -26.6 | 171.6 | -72.4 | -18.8 | 0 | 0 | 0 | 112.4 | V104 G110 R296 | V104-D108 PolarHBondContact O-N 2.81Å; D108-G110 VanDerWaalsContact C-N 3.29Å; D108-R296 VanDerWaalsContact CG-NH1 3.29Å; D108-R296 IonicContact OD1-CZ 3.69Å; D108-R296 VanDerWaalsContact OD1-CZ 3.3Å; D108-R296 IonicContact OD1-NH1 3.83Å; D108-R296 PolarHBondContact OD1-NH1 2.88Å; D108-R296 IonicContact OD1-NH2 2.98Å; D108-R296 PolarHBondContact OD1-NH2 3.1Å; D108-R296 IonicContact OD2-CZ 3.54Å; D108-R296 IonicContact OD2-NH1 3.52Å; D108-R296 PolarHBondContact OD2-NH1 2.82Å; D108-R296 IonicContact OD2-NH2 2.66Å |
| 109 | A | 78.2 | Confident | 89.7 | Confident | 90 Ų | 90 | 30 Ų | 30 | 74% | 0.744 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 12 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | K105 R106 A107 | K105-A109 PolarHBondContact O-N 3.44Å; R106-A109 CarbonylContact O-C 3.57Å; R106-A109 WeakPolarHBondContact O-CA 3.47Å; R106-A109 WeakPolarHBondContact O-CB 3.35Å; R106-A109 PolarHBondContact O-N 3.28Å; A107-A109 PolarHBondContact O-N 3.2Å |
| 110 | G | 76.8 | Confident | 89.8 | Confident | 65 Ų | 65 | 33.3 Ų | 33.3 | 67% | 0.67 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | 10.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | R106 A107 D108 | R106-G110 PolarHBondContact O-N 3.38Å; A107-G110 WeakPolarHBondContact O-CA 3.3Å; A107-G110 PolarHBondContact O-N 3.03Å; D108-G110 VanDerWaalsContact C-N 3.29Å |
| 111 | F | 82.1 | Confident | 90 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 20% | 0.202 | 20% | 0.201 | C | C | . | . | trans | -74.9 | 129 | 178.5 | -179.1 | -90.3 | 0 | 0 | 0 | 112.6 | R106 A107 Y113 V117 N154 | R106-F111 VanDerWaalsContact C-CB 3.44Å; R106-F111 HydrophobicContact CB-CB 3.73Å; R106-F111 HydrophobicContact CB-CD1 4.24Å; R106-F111 HydrophobicContact CB-CG 4.01Å; R106-F111 WeakPolarHBondContact O-CB 3.49Å; R106-F111 PolarHBondContact O-N 2.91Å; A107-F111 WeakPolarHBondContact CA-O 3.43Å; F111-Y113 PolarHBondContact O-N 3.3Å; F111-V117 HydrophobicContact CE1-CG1 4Å; F111-V117 HydrophobicContact CE1-CG2 4.07Å; F111-V117 HydrophobicContact CZ-CG1 4.11Å; F111-V117 HydrophobicContact CZ-CG2 3.91Å; F111-N154 HydrophobicContact CE2-CB 4.3Å | ||
| 112 | V | 86.6 | Confident | 90.3 | Very high | 79 Ų | 79 | 30.3 Ų | 30.3 | 48% | 0.479 | 19% | 0.188 | S | C | . | . | trans | -76.4 | 90.9 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 111 | H287 | V112-H287 HydrophobicContact CG1-CB 3.85Š| ||
| 113 | Y | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -70.4 | 130.3 | 167.5 | -172 | -110.2 | 0 | 0 | 0 | 111 | I103 F111 V117 Y121 L212 H287 L288 T291 V292 L295 | I103-Y113 HydrophobicContact CB-CD2 4.37Å; I103-Y113 HydrophobicContact CB-CE2 4.38Å; I103-Y113 HydrophobicContact CD1-CD2 4.31Å; I103-Y113 HydrophobicContact CD1-CE2 3.51Å; I103-Y113 HydrophobicContact CG1-CD2 3.95Å; I103-Y113 HydrophobicContact CG1-CE2 3.64Å; I103-Y113 HydrophobicContact CG2-CD1 3.9Å; I103-Y113 HydrophobicContact CG2-CD2 3.56Å; I103-Y113 HydrophobicContact CG2-CE1 4.09Å; I103-Y113 HydrophobicContact CG2-CE2 3.78Å; I103-Y113 HydrophobicContact CG2-CG 3.63Å; F111-Y113 PolarHBondContact O-N 3.3Å; Y113-V117 HydrophobicContact CD2-CB 4.26Å; Y113-V117 HydrophobicContact CD2-CG1 3.86Å; Y113-V117 HydrophobicContact CE2-CB 4.39Å; Y113-V117 HydrophobicContact CE2-CG1 3.94Å; Y113-Y121 HydrophobicContact CE2-CE2 4.29Å; Y113-L212 VanDerWaalsContact CE1-O 3.32Å; Y113-L212 WeakPolarHBondContact CE1-O 3.17Å; Y113-L212 PolarHBondContact OH-O 3.19Å; Y113-H287 PolarHBondContact N-ND1 3.04Å; Y113-H287 CarbonylContact O-C 3.56Å; Y113-H287 VanDerWaalsContact O-CA 3.32Å; Y113-H287 WeakPolarHBondContact O-CA 3.29Å; Y113-H287 PolarHBondContact O-ND1 2.82Å; Y113-L288 PolarHBondContact O-N 2.91Å; Y113-T291 HydrophobicContact CD1-CG2 4.42Å; Y113-T291 HydrophobicContact CE1-CG2 3.9Å; Y113-V292 HydrophobicContact CD1-CG2 4.04Å; Y113-V292 HydrophobicContact CG-CG2 4.31Å; Y113-L295 HydrophobicContact CE1-CD1 4.38Å | ||
| 114 | S | 94.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | trans | -152.6 | 167.8 | -171.4 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | A116 V117 A118 I286 | S114-A116 PolarHBondContact O-N 3.2Å; S114-V117 WeakPolarHBondContact O-CA 3.47Å; S114-V117 WeakPolarHBondContact O-CB 3.46Å; S114-V117 PolarHBondContact O-N 3.36Å; S114-A118 PolarHBondContact O-N 2.83Å; S114-I286 WeakPolarHBondContact CA-O 3.41Å; S114-I286 WeakPolarHBondContact CB-O 3.14Å | ||
| 115 | E | 95 | Very high | 91.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.2 | -39 | 174.8 | -80.8 | -172.7 | -119.4 | 0 | 0 | 112.6 | V117 A118 S119 L213 I245 S246 W275 A283 Y284 L288 | E115-V117 PolarHBondContact O-N 3.24Å; E115-A118 PolarHBondContact O-N 3.01Å; E115-S119 VanDerWaalsContact O-CB 3.24Å; E115-S119 WeakPolarHBondContact O-CB 3.39Å; E115-S119 PolarHBondContact O-N 3.47Å; E115-L213 HydrophobicContact CG-CD2 3.99Å; E115-I245 HydrophobicContact CG-CD1 4.15Å; E115-I245 WeakPolarHBondContact OE1-CA 3.45Å; E115-S246 PolarHBondContact OE1-N 3.41Å; E115-S246 WeakPolarHBondContact OE2-CB 3.47Å; E115-S246 PolarHBondContact OE2-OG 3.07Å; E115-W275 HydrophobicContact CB-CZ2 4.19Å; E115-W275 HydrophobicContact CG-CZ2 4.45Å; E115-W275 WeakPolarHBondContact O-CZ2 3.39Å; E115-W275 PolarHBondContact OE2-NE1 3.41Å; E115-A283 HydrophobicContact CB-CB 4.28Å; E115-Y284 WeakPolarHBondContact CB-O 3.42Å; E115-Y284 PolarHBondContact N-O 3.03Å; E115-Y284 WeakPolarHBondContact OE1-CD2 3.5Å; E115-L288 HydrophobicContact CG-CD1 4.35Å |
| 116 | A | 93.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -31.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | S114 H120 R279 A283 Y284 K285 | S114-A116 PolarHBondContact O-N 3.2Å; A116-H120 PolarHBondContact O-N 3.21Å; A116-R279 HydrophobicContact CB-CG 4.43Å; A116-R279 WeakPolarHBondContact O-CD 3.24Å; A116-A283 HydrophobicContact CB-CB 4.29Å; A116-Y284 PolarHBondContact N-O 2.78Å; A116-Y284 VanDerWaalsContact N-O 3.11Å; A116-K285 HydrophobicContact CB-CG 3.79Å |
| 117 | V | 94.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 15% | 0.152 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.2 | -44.5 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | F111 Y113 S114 E115 S119 H120 Y121 | F111-V117 HydrophobicContact CE1-CG1 4Å; F111-V117 HydrophobicContact CE1-CG2 4.07Å; F111-V117 HydrophobicContact CZ-CG1 4.11Å; F111-V117 HydrophobicContact CZ-CG2 3.91Å; Y113-V117 HydrophobicContact CD2-CB 4.26Å; Y113-V117 HydrophobicContact CD2-CG1 3.86Å; Y113-V117 HydrophobicContact CE2-CB 4.39Å; Y113-V117 HydrophobicContact CE2-CG1 3.94Å; S114-V117 WeakPolarHBondContact O-CA 3.47Å; S114-V117 WeakPolarHBondContact O-CB 3.46Å; S114-V117 PolarHBondContact O-N 3.36Å; E115-V117 PolarHBondContact O-N 3.24Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.05Å; V117-H120 WeakPolarHBondContact O-CB 3.45Å; V117-H120 PolarHBondContact O-N 3.39Å; V117-H120 VanDerWaalsContact O-N 3.11Å; V117-Y121 HydrophobicContact CG1-CD2 3.87Å; V117-Y121 HydrophobicContact CG1-CE2 3.25Å; V117-Y121 WeakPolarHBondContact O-CD2 3.41Å; V117-Y121 PolarHBondContact O-N 3.33Å; V117-Y121 VanDerWaalsContact O-N 3.08Å |
| 118 | A | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S114 E115 H120 Y121 M122 L212 L213 W275 | S114-A118 PolarHBondContact O-N 2.83Å; E115-A118 PolarHBondContact O-N 3.01Å; A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 PolarHBondContact O-N 3Å; A118-Y121 PolarHBondContact O-N 3.36Å; A118-M122 WeakPolarHBondContact O-CB 3.25Å; A118-M122 WeakPolarHBondContact O-CG 3.2Å; A118-M122 PolarHBondContact O-N 2.71Å; A118-L212 HydrophobicContact CB-CB 4.39Å; A118-L213 HydrophobicContact CB-CD2 4.31Å; A118-W275 HydrophobicContact CB-CH2 4.08Å; A118-W275 HydrophobicContact CB-CZ2 4.4Å |
| 119 | S | 97.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 174 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | E115 V117 R123 W275 L276 | E115-S119 VanDerWaalsContact O-CB 3.24Å; E115-S119 WeakPolarHBondContact O-CB 3.39Å; E115-S119 PolarHBondContact O-N 3.47Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.05Å; S119-R123 WeakPolarHBondContact O-CB 3.24Å; S119-R123 PolarHBondContact O-N 3.06Å; S119-W275 VanDerWaalsContact CA-CH2 3.44Å; S119-W275 VanDerWaalsContact N-CH2 3.33Å; S119-W275 PolarHBondContact OG-O 3.44Å; S119-L276 VanDerWaalsContact O-CD2 3.3Å; S119-L276 WeakPolarHBondContact O-CD2 3.43Å |
| 120 | H | 95.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 24.4 Ų | 24.4 | 33% | 0.329 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.1 | -173.7 | 43.8 | 0 | 0 | 0 | 112.9 | A116 V117 A118 Q124 R279 | A116-H120 PolarHBondContact O-N 3.21Å; V117-H120 WeakPolarHBondContact O-CB 3.45Å; V117-H120 PolarHBondContact O-N 3.39Å; V117-H120 VanDerWaalsContact O-N 3.11Å; A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 PolarHBondContact O-N 3Å; H120-Q124 PolarHBondContact CE1-NE2 2.78Å; H120-Q124 PolarHBondContact NE2-NE2 3.02Å; H120-Q124 VanDerWaalsContact NE2-NE2 3.14Å; H120-Q124 PolarHBondContact O-N 3Å; H120-R279 PolarHBondContact ND1-NH1 3.41Å |
| 121 | Y | 97.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.5 | -44 | 178 | -61 | -43.4 | 0 | 0 | 0 | 112 | L99 I103 R106 Y113 V117 A118 R123 Q124 I125 L149 V158 | L99-Y121 HydrophobicContact CD1-CD1 4.09Å; L99-Y121 HydrophobicContact CD1-CD2 3.65Å; L99-Y121 HydrophobicContact CD1-CE1 4.13Å; L99-Y121 HydrophobicContact CD1-CE2 3.68Å; L99-Y121 HydrophobicContact CD1-CG 3.84Å; L99-Y121 HydrophobicContact CD2-CD2 4.14Å; L99-Y121 HydrophobicContact CD2-CG 4.05Å; L99-Y121 HydrophobicContact CG-CD2 4.35Å; I103-Y121 HydrophobicContact CD1-CD2 4.46Å; I103-Y121 HydrophobicContact CD1-CE2 4.31Å; I103-Y121 HydrophobicContact CG1-CE2 4.13Å; R106-Y121 PolarHBondContact NH1-OH 3.02Å; Y113-Y121 HydrophobicContact CE2-CE2 4.29Å; V117-Y121 HydrophobicContact CG1-CD2 3.87Å; V117-Y121 HydrophobicContact CG1-CE2 3.25Å; V117-Y121 WeakPolarHBondContact O-CD2 3.41Å; V117-Y121 PolarHBondContact O-N 3.33Å; V117-Y121 VanDerWaalsContact O-N 3.08Å; A118-Y121 PolarHBondContact O-N 3.36Å; Y121-R123 VanDerWaalsContact C-N 3.3Å; Y121-R123 PolarHBondContact O-N 3.43Å; Y121-Q124 PolarHBondContact O-N 2.91Å; Y121-Q124 VanDerWaalsContact O-N 3.12Å; Y121-I125 WeakPolarHBondContact O-CG1 3.47Å; Y121-I125 PolarHBondContact O-N 2.83Å; Y121-L149 HydrophobicContact CE1-CD2 4.33Å; Y121-V158 HydrophobicContact CD1-CG2 3.45Å; Y121-V158 VanDerWaalsContact CD1-CG2 3.45Å; Y121-V158 HydrophobicContact CE1-CG2 4.12Å; Y121-V158 HydrophobicContact CG-CG2 4.11Å |
| 122 | M | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.2 | -33.3 | 179 | -75.8 | -59.1 | -49.2 | 0 | 0 | 113.2 | A118 I125 L126 C205 I208 L209 L212 M256 L276 | A118-M122 WeakPolarHBondContact O-CB 3.25Å; A118-M122 WeakPolarHBondContact O-CG 3.2Å; A118-M122 PolarHBondContact O-N 2.71Å; M122-I125 PolarHBondContact O-N 2.94Å; M122-I125 HydrophobicContact SD-CD1 3.79Å; M122-L126 HydrophobicContact CE-CD1 4.43Å; M122-L126 HydrophobicContact CE-CG 4.39Å; M122-L126 WeakPolarHBondContact O-CB 3.46Å; M122-L126 WeakPolarHBondContact O-CD1 3.48Å; M122-L126 VanDerWaalsContact O-CG 3.27Å; M122-L126 WeakPolarHBondContact O-CG 3.4Å; M122-L126 PolarHBondContact O-N 3.17Å; M122-C205 HydrophobicContact CE-CB 4.03Å; M122-C205 WeakPolarHBondContact CE-O 3.23Å; M122-I208 HydrophobicContact SD-CB 4.46Å; M122-I208 HydrophobicContact SD-CG2 3.83Å; M122-L209 HydrophobicContact CE-CB 4.13Å; M122-L209 HydrophobicContact CG-CB 4.4Å; M122-L209 HydrophobicContact CG-CD1 3.89Å; M122-L209 HydrophobicContact SD-CB 4.23Å; M122-L212 HydrophobicContact CG-CD1 3.77Å; M122-L212 HydrophobicContact SD-CD1 3.67Å; M122-M256 HydrophobicContact CE-CE 4.4Å; M122-L276 HydrophobicContact CB-CD2 4.22Å |
| 123 | R | 97.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 18.2 Ų | 18.2 | 25% | 0.253 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -56.1 | -49.9 | 169.6 | 168.8 | 172.7 | -76.3 | -75.1 | -3.4 | 111.8 | S119 Y121 L126 E127 L271 L276 | S119-R123 WeakPolarHBondContact O-CB 3.24Å; S119-R123 PolarHBondContact O-N 3.06Å; Y121-R123 VanDerWaalsContact C-N 3.3Å; Y121-R123 PolarHBondContact O-N 3.43Å; R123-L126 PolarHBondContact O-N 2.92Å; R123-E127 WeakPolarHBondContact CD-OE1 3.2Å; R123-E127 VanDerWaalsContact CG-CD 3.48Å; R123-E127 HydrophobicContact CG-CG 4.45Å; R123-E127 WeakPolarHBondContact CG-OE1 3.46Å; R123-E127 IonicContact CZ-OE1 3.92Å; R123-E127 IonicContact NH1-OE1 3.9Å; R123-E127 PolarHBondContact NH1-OE1 2.94Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 WeakPolarHBondContact O-CG 3.22Å; R123-E127 PolarHBondContact O-N 2.98Å; R123-L271 HydrophobicContact CG-CD2 4.41Å; R123-L271 PolarHBondContact NH2-O 2.8Å; R123-L276 HydrophobicContact CB-CD2 4.44Å; R123-L276 PolarHBondContact NE-O 3.33Å; R123-L276 PolarHBondContact NH2-O 2.81Å |
| 124 | Q | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 22.1 Ų | 22.1 | 5% | 0.051 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -40.5 | -178.2 | -65.1 | 179 | 41.8 | 0 | 0 | 112 | H73 H120 Y121 E127 A128 V158 | H73-Q124 PolarHBondContact CE1-OE1 3.37Å; H73-Q124 PolarHBondContact ND1-OE1 2.81Å; H120-Q124 PolarHBondContact CE1-NE2 2.78Å; H120-Q124 PolarHBondContact NE2-NE2 3.02Å; H120-Q124 VanDerWaalsContact NE2-NE2 3.14Å; H120-Q124 PolarHBondContact O-N 3Å; Y121-Q124 PolarHBondContact O-N 2.91Å; Y121-Q124 VanDerWaalsContact O-N 3.12Å; Q124-E127 PolarHBondContact O-N 3.39Å; Q124-A128 PolarHBondContact O-N 2.91Å; Q124-V158 HydrophobicContact CB-CB 4.21Å |
| 125 | I | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.1 | -64 | 163 | 0 | 0 | 0 | 110.8 | L99 Y121 M122 A128 L129 V147 V158 I208 | L99-I125 HydrophobicContact CD2-CD1 4.17Å; Y121-I125 WeakPolarHBondContact O-CG1 3.47Å; Y121-I125 PolarHBondContact O-N 2.83Å; M122-I125 PolarHBondContact O-N 2.94Å; M122-I125 HydrophobicContact SD-CD1 3.79Å; I125-A128 WeakPolarHBondContact O-CB 3.37Å; I125-A128 PolarHBondContact O-N 3.42Å; I125-L129 WeakPolarHBondContact O-CB 3.47Å; I125-L129 PolarHBondContact O-N 2.6Å; I125-V147 HydrophobicContact CD1-CG1 3.59Å; I125-V147 HydrophobicContact CD1-CG2 4.3Å; I125-V147 HydrophobicContact CG1-CG1 3.86Å; I125-V147 HydrophobicContact CG1-CG2 4.49Å; I125-V158 HydrophobicContact CD1-CG1 4.37Å; I125-V158 HydrophobicContact CG1-CG1 3.77Å; I125-I208 HydrophobicContact CD1-CG2 4.46Å |
| 126 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.7 | -29.4 | 178.5 | -69.2 | 166.8 | 0 | 0 | 0 | 112.6 | M122 R123 L129 R130 C205 M256 V267 A270 L271 L276 | M122-L126 HydrophobicContact CE-CD1 4.43Å; M122-L126 HydrophobicContact CE-CG 4.39Å; M122-L126 WeakPolarHBondContact O-CB 3.46Å; M122-L126 WeakPolarHBondContact O-CD1 3.48Å; M122-L126 VanDerWaalsContact O-CG 3.27Å; M122-L126 WeakPolarHBondContact O-CG 3.4Å; M122-L126 PolarHBondContact O-N 3.17Å; R123-L126 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 2.68Å; L126-R130 VanDerWaalsContact O-CB 3.3Å; L126-R130 WeakPolarHBondContact O-CB 3.23Å; L126-R130 PolarHBondContact O-N 3.03Å; L126-C205 HydrophobicContact CD2-CB 4.06Å; L126-M256 HydrophobicContact CD1-CE 4.39Å; L126-M256 HydrophobicContact CD2-CE 3.97Å; L126-V267 HydrophobicContact CB-CG2 4.14Å; L126-V267 HydrophobicContact CD2-CG2 3.98Å; L126-V267 WeakPolarHBondContact O-CG2 3.41Å; L126-A270 HydrophobicContact CD1-CB 4.08Å; L126-L271 HydrophobicContact CB-CD1 4.45Å; L126-L271 HydrophobicContact CB-CD2 3.63Å; L126-L271 HydrophobicContact CB-CG 3.9Å; L126-L276 HydrophobicContact CD1-CD1 3.45Å; L126-L276 VanDerWaalsContact CD1-CD1 3.45Å |
| 127 | E | 98.5 | Very high | 97.6 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 171.9 | -80.3 | 160 | -174.8 | 0 | 0 | 111.4 | R123 Q124 Y131 L271 | R123-E127 WeakPolarHBondContact CD-OE1 3.2Å; R123-E127 VanDerWaalsContact CG-CD 3.48Å; R123-E127 HydrophobicContact CG-CG 4.45Å; R123-E127 WeakPolarHBondContact CG-OE1 3.46Å; R123-E127 IonicContact CZ-OE1 3.92Å; R123-E127 IonicContact NH1-OE1 3.9Å; R123-E127 PolarHBondContact NH1-OE1 2.94Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 WeakPolarHBondContact O-CG 3.22Å; R123-E127 PolarHBondContact O-N 2.98Å; Q124-E127 PolarHBondContact O-N 3.39Å; E127-Y131 PolarHBondContact O-N 3.34Å; E127-L271 HydrophobicContact CG-CD1 4.15Å; E127-L271 HydrophobicContact CG-CD2 3.85Å |
| 128 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -48 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | H73 I74 Q124 I125 R130 Y131 C132 L160 | H73-A128 HydrophobicContact CB-CB 3.81Å; H73-A128 WeakPolarHBondContact O-CB 3.4Å; I74-A128 HydrophobicContact CG1-CB 3.93Å; Q124-A128 PolarHBondContact O-N 2.91Å; I125-A128 WeakPolarHBondContact O-CB 3.37Å; I125-A128 PolarHBondContact O-N 3.42Å; A128-R130 VanDerWaalsContact C-N 3.34Å; A128-R130 PolarHBondContact O-N 2.98Å; A128-Y131 WeakPolarHBondContact O-CB 3.44Å; A128-Y131 PolarHBondContact O-N 3.48Å; A128-C132 PolarHBondContact O-N 2.98Å; A128-C132 VanDerWaalsContact O-N 3.11Å; A128-C132 PolarHBondContact O-SG 3.43Å; A128-L160 HydrophobicContact CB-CB 4.09Å; A128-L160 HydrophobicContact CB-CD2 4.25Å |
| 129 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.4 | -37.4 | -179 | -174.9 | 63.6 | 0 | 0 | 0 | 112.4 | I125 L126 Y131 C132 H133 D201 V202 V267 | I125-L129 WeakPolarHBondContact O-CB 3.47Å; I125-L129 PolarHBondContact O-N 2.6Å; L126-L129 PolarHBondContact O-N 2.68Å; L129-Y131 VanDerWaalsContact C-N 3.31Å; L129-Y131 PolarHBondContact O-N 3.01Å; L129-C132 WeakPolarHBondContact O-CB 3.5Å; L129-C132 PolarHBondContact O-N 3.28Å; L129-H133 WeakPolarHBondContact CD1-NE2 3.48Å; L129-H133 WeakPolarHBondContact O-CB 3.39Å; L129-H133 PolarHBondContact O-N 3.28Å; L129-D201 HydrophobicContact CD1-CB 3.51Å; L129-D201 HydrophobicContact CD2-CB 3.62Å; L129-D201 HydrophobicContact CG-CB 4.14Å; L129-V202 HydrophobicContact CD2-CG2 4.43Å; L129-V267 HydrophobicContact CB-CG2 4.29Å; L129-V267 HydrophobicContact CD2-CG2 4.43Å; L129-V267 HydrophobicContact CG-CG2 4.42Å |
| 130 | R | 98.5 | Very high | 97.7 | Very high | 84 Ų | 84 | 28.1 Ų | 28.1 | 32% | 0.317 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 173.1 | -173.9 | -166.6 | 64.4 | -153.6 | -11 | 110.4 | L126 A128 C132 H133 D134 V267 Y268 L271 | L126-R130 VanDerWaalsContact O-CB 3.3Å; L126-R130 WeakPolarHBondContact O-CB 3.23Å; L126-R130 PolarHBondContact O-N 3.03Å; A128-R130 VanDerWaalsContact C-N 3.34Å; A128-R130 PolarHBondContact O-N 2.98Å; R130-C132 VanDerWaalsContact C-N 3.35Å; R130-C132 PolarHBondContact O-N 3.44Å; R130-H133 CarbonylContact O-C 3.49Å; R130-H133 WeakPolarHBondContact O-CA 3.18Å; R130-H133 PolarHBondContact O-N 3.38Å; R130-H133 VanDerWaalsContact O-N 3.09Å; R130-D134 IonicContact NE-OD2 3.53Å; R130-D134 VanDerWaalsContact O-CG 3.22Å; R130-D134 PolarHBondContact O-N 3.29Å; R130-V267 HydrophobicContact CB-CG1 4.1Å; R130-V267 HydrophobicContact CB-CG2 3.94Å; R130-V267 HydrophobicContact CG-CG1 4.23Å; R130-Y268 HydrophobicContact CG-CD1 3.86Å; R130-Y268 HydrophobicContact CG-CE1 3.47Å; R130-Y268 VanDerWaalsContact CG-CE1 3.47Å; R130-L271 HydrophobicContact CB-CD1 4.15Å |
| 131 | Y | 98.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 25.7 Ų | 25.7 | 22% | 0.216 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 178 | 178.5 | -90.2 | 0 | 0 | 0 | 112.6 | L69 K70 H71 I74 E127 A128 L129 N135 | L69-Y131 HydrophobicContact CB-CE1 4.45Å; L69-Y131 HydrophobicContact CD2-CD1 3.9Å; L69-Y131 HydrophobicContact CD2-CE1 3.66Å; K70-Y131 PolarHBondContact N-OH 2.98Å; K70-Y131 PolarHBondContact O-OH 2.79Å; H71-Y131 HydrophobicContact CB-CD1 3.76Å; H71-Y131 HydrophobicContact CB-CD2 4.32Å; H71-Y131 HydrophobicContact CB-CE1 3.95Å; H71-Y131 HydrophobicContact CB-CE2 4.49Å; H71-Y131 HydrophobicContact CB-CG 3.94Å; H71-Y131 AromaticContact CD2-CD2 3.74Å; H71-Y131 AromaticContact CD2-CG 3.72Å; H71-Y131 AromaticContact CG-CG 3.91Å; I74-Y131 HydrophobicContact CD1-CD1 3.68Å; I74-Y131 HydrophobicContact CD1-CE1 4.27Å; E127-Y131 PolarHBondContact O-N 3.34Å; A128-Y131 WeakPolarHBondContact O-CB 3.44Å; A128-Y131 PolarHBondContact O-N 3.48Å; L129-Y131 VanDerWaalsContact C-N 3.31Å; L129-Y131 PolarHBondContact O-N 3.01Å; Y131-N135 PolarHBondContact O-N 3.35Å; Y131-N135 PolarHBondContact O-ND2 2.8Å |
| 132 | C | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 170.4 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | A128 L129 R130 D134 N135 N136 I137 | A128-C132 PolarHBondContact O-N 2.98Å; A128-C132 VanDerWaalsContact O-N 3.11Å; A128-C132 PolarHBondContact O-SG 3.43Å; L129-C132 WeakPolarHBondContact O-CB 3.5Å; L129-C132 PolarHBondContact O-N 3.28Å; R130-C132 VanDerWaalsContact C-N 3.35Å; R130-C132 PolarHBondContact O-N 3.44Å; C132-D134 PolarHBondContact O-N 3.05Å; C132-N135 CarbonylContact O-C 3.27Å; C132-N135 PolarHBondContact O-N 2.94Å; C132-N135 VanDerWaalsContact O-N 3.11Å; C132-N136 PolarHBondContact O-N 2.68Å; C132-I137 CarbonylContact C-O 3.49Å; C132-I137 VanDerWaalsContact C-O 3.27Å; C132-I137 HydrophobicContact CB-CB 4.4Å; C132-I137 HydrophobicContact CB-CG2 4.48Å; C132-I137 PolarHBondContact O-N 3.43Å |
| 133 | H | 97.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.4 | -34.5 | -179 | -74.7 | -170.4 | 0 | 0 | 0 | 113 | L129 R130 N135 N136 I137 K198 D201 V267 | L129-H133 WeakPolarHBondContact CD1-NE2 3.48Å; L129-H133 WeakPolarHBondContact O-CB 3.39Å; L129-H133 PolarHBondContact O-N 3.28Å; R130-H133 CarbonylContact O-C 3.49Å; R130-H133 WeakPolarHBondContact O-CA 3.18Å; R130-H133 PolarHBondContact O-N 3.38Å; R130-H133 VanDerWaalsContact O-N 3.09Å; H133-N135 VanDerWaalsContact C-N 3.27Å; H133-N135 PolarHBondContact O-N 2.63Å; H133-N136 PolarHBondContact O-N 3.06Å; H133-N136 VanDerWaalsContact O-N 3.14Å; H133-I137 PolarHBondContact CD2-O 3.17Å; H133-K198 HydrophobicContact CB-CD 4.01Å; H133-K198 PolarHBondContact CE1-O 3.44Å; H133-K198 VanDerWaalsContact O-CE 3.29Å; H133-K198 WeakPolarHBondContact O-CE 3.24Å; H133-K198 PolarHBondContact O-NZ 3.14Å; H133-D201 IonicContact CD2-OD2 2.9Å; H133-D201 IonicContact CE1-OD2 3.85Å; H133-D201 IonicContact NE2-OD2 3.27Å; H133-D201 PolarHBondContact NE2-OD2 3.01Å; H133-V267 HydrophobicContact CB-CG1 4.41Å |
| 134 | D | 97.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 24.4 Ų | 24.4 | 44% | 0.439 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60.9 | -37.7 | 171.7 | -69.4 | -38.8 | 0 | 0 | 0 | 110.8 | R130 C132 N136 Y268 | R130-D134 IonicContact NE-OD2 3.53Å; R130-D134 VanDerWaalsContact O-CG 3.22Å; R130-D134 PolarHBondContact O-N 3.29Å; C132-D134 PolarHBondContact O-N 3.05Å; D134-N136 VanDerWaalsContact C-N 3.26Å; D134-N136 PolarHBondContact O-N 3.4Å; D134-Y268 PolarHBondContact OD1-OH 2.81Å |
| 135 | N | 96.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 29 Ų | 29 | 30% | 0.299 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 10.6 | 176.4 | -71.8 | -80.7 | 0 | 0 | 0 | 114.2 | Y131 C132 H133 I137 Q168 | Y131-N135 PolarHBondContact O-N 3.35Å; Y131-N135 PolarHBondContact O-ND2 2.8Å; C132-N135 CarbonylContact O-C 3.27Å; C132-N135 PolarHBondContact O-N 2.94Å; C132-N135 VanDerWaalsContact O-N 3.11Å; H133-N135 VanDerWaalsContact C-N 3.27Å; H133-N135 PolarHBondContact O-N 2.63Å; N135-I137 HydrophobicContact CB-CD1 4.01Å; N135-I137 HydrophobicContact CB-CG1 4.48Å; N135-I137 PolarHBondContact O-N 2.8Å; N135-Q168 PolarHBondContact O-NE2 3.45Å |
| 136 | N | 96.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 29.2 Ų | 29.2 | 40% | 0.396 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 20.8 | -173.9 | -68.1 | -40.3 | 0 | 0 | 0 | 115 | C132 H133 D134 L169 K198 | C132-N136 PolarHBondContact O-N 2.68Å; H133-N136 PolarHBondContact O-N 3.06Å; H133-N136 VanDerWaalsContact O-N 3.14Å; D134-N136 VanDerWaalsContact C-N 3.26Å; D134-N136 PolarHBondContact O-N 3.4Å; N136-L169 HydrophobicContact CB-CB 4.37Å; N136-L169 WeakPolarHBondContact O-CB 3.11Å; N136-L169 WeakPolarHBondContact O-CG 3.49Å; N136-L169 PolarHBondContact O-N 2.85Å; N136-K198 WeakPolarHBondContact OD1-CE 3.46Å; N136-K198 PolarHBondContact OD1-NZ 3.34Å |
| 137 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.2 | 176.2 | -67.2 | 157.9 | 0 | 0 | 0 | 109.5 | I65 L69 C132 H133 N135 A166 I167 Q168 | I65-I137 HydrophobicContact CG2-CD1 4.24Å; I65-I137 HydrophobicContact CG2-CG2 3.93Å; L69-I137 HydrophobicContact CD1-CD1 4.46Å; L69-I137 HydrophobicContact CD2-CD1 3.77Å; L69-I137 HydrophobicContact CG-CD1 4.09Å; C132-I137 CarbonylContact C-O 3.49Å; C132-I137 VanDerWaalsContact C-O 3.27Å; C132-I137 HydrophobicContact CB-CB 4.4Å; C132-I137 HydrophobicContact CB-CG2 4.48Å; C132-I137 PolarHBondContact O-N 3.43Å; H133-I137 PolarHBondContact CD2-O 3.17Å; N135-I137 HydrophobicContact CB-CD1 4.01Å; N135-I137 HydrophobicContact CB-CG1 4.48Å; N135-I137 PolarHBondContact O-N 2.8Å; I137-A166 HydrophobicContact CG2-CB 4.39Å; I137-I167 WeakPolarHBondContact CA-O 3.46Å; I137-Q168 HydrophobicContact CG1-CB 4.13Å; I137-Q168 HydrophobicContact CG1-CG 4.11Å |
| 138 | I | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.6 | 169 | 60 | 167.9 | 0 | 0 | 0 | 110.3 | R140 A166 I167 L169 V175 Y196 K198 D201 | I138-R140 HydrophobicContact CB-CG 4.45Å; I138-R140 HydrophobicContact CD1-CG 3.74Å; I138-R140 HydrophobicContact CG1-CG 3.86Å; I138-A166 VanDerWaalsContact O-CA 3.27Å; I138-A166 WeakPolarHBondContact O-CA 3.22Å; I138-A166 WeakPolarHBondContact O-CB 3.34Å; I138-I167 HydrophobicContact CD1-CG2 3.97Å; I138-I167 HydrophobicContact CG1-CG2 3.61Å; I138-I167 PolarHBondContact N-O 3.16Å; I138-I167 PolarHBondContact O-N 3.37Å; I138-L169 HydrophobicContact CD1-CD2 3.92Å; I138-L169 HydrophobicContact CG1-CD2 4.21Å; I138-L169 HydrophobicContact CG1-CG 4.34Å; I138-L169 HydrophobicContact CG2-CD1 3.7Å; I138-L169 HydrophobicContact CG2-CG 4.19Å; I138-V175 HydrophobicContact CD1-CG1 4.46Å; I138-V175 HydrophobicContact CD1-CG2 4.41Å; I138-Y196 HydrophobicContact CD1-CD2 4.2Å; I138-Y196 HydrophobicContact CD1-CE2 4.04Å; I138-K198 HydrophobicContact CG2-CB 4.29Å; I138-K198 HydrophobicContact CG2-CG 3.8Å; I138-D201 VanDerWaalsContact CA-OD2 3.3Å; I138-D201 WeakPolarHBondContact CA-OD2 3.47Å; I138-D201 WeakPolarHBondContact CB-OD2 3.4Å |
| 139 | H | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -85.7 | -36.7 | -172.3 | -175.4 | -37.9 | 0 | 0 | 0 | 112.3 | D141 V142 G161 G162 F163 D201 | H139-D141 PolarHBondContact ND1-N 2.87Å; H139-D141 PolarHBondContact O-N 3.2Å; H139-V142 HydrophobicContact CB-CG2 3.79Å; H139-G161 PolarHBondContact NE2-O 2.98Å; H139-G161 VanDerWaalsContact NE2-O 3.14Å; H139-G162 PolarHBondContact CE1-O 3.02Å; H139-F163 AromaticContact CD2-CE1 3.89Å; H139-D201 PolarHBondContact N-OD1 3.32Å; H139-D201 VanDerWaalsContact N-OD1 3.16Å; H139-D201 PolarHBondContact N-OD2 2.85Å | ||
| 140 | R | 95.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 30.6 Ų | 30.6 | 15% | 0.151 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 63 | 2.5 | 177.3 | -50.6 | -167 | -68.6 | 180 | -6.3 | 117.1 | I138 V165 V180 G181 Y196 D201 | I138-R140 HydrophobicContact CB-CG 4.45Å; I138-R140 HydrophobicContact CD1-CG 3.74Å; I138-R140 HydrophobicContact CG1-CG 3.86Å; R140-V165 HydrophobicContact CB-CG2 4.42Å; R140-V165 PolarHBondContact NE-O 3.15Å; R140-V165 PolarHBondContact NH2-O 3.12Å; R140-V180 HydrophobicContact CB-CG1 4.39Å; R140-G181 WeakPolarHBondContact O-CA 3.45Å; R140-Y196 WeakPolarHBondContact CD-OH 3.43Å; R140-Y196 HydrophobicContact CG-CE2 4.15Å; R140-Y196 PolarHBondContact NH1-OH 2.93Å; R140-D201 PolarHBondContact N-OD1 3.4Å |
| 141 | D | 94.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 28 Ų | 28 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | trans | -150.7 | 38.2 | -179.4 | -164.1 | 32.5 | 0 | 0 | 0 | 112.7 | H139 K143 V165 G181 T182 | H139-D141 PolarHBondContact ND1-N 2.87Å; H139-D141 PolarHBondContact O-N 3.2Å; D141-K143 PolarHBondContact O-N 2.81Å; D141-K143 IonicContact OD1-NZ 3.09Å; D141-K143 WeakPolarHBondContact OD2-CE 3.33Å; D141-K143 IonicContact OD2-NZ 2.74Å; D141-K143 PolarHBondContact OD2-NZ 2.74Å; D141-V165 HydrophobicContact CB-CG2 3.57Å; D141-G181 WeakPolarHBondContact OD1-CA 3.05Å; D141-T182 VanDerWaalsContact OD1-CB 3.26Å; D141-T182 WeakPolarHBondContact OD1-CB 3.08Å; D141-T182 PolarHBondContact OD1-N 2.72Å; D141-T182 PolarHBondContact OD1-OG1 2.7Å | ||
| 142 | V | 96.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | trans | -66.3 | 103.3 | 179.3 | -179.4 | 0 | 0 | 0 | 0 | 110 | H139 F185 D201 I208 | H139-V142 HydrophobicContact CB-CG2 3.79Å; V142-F185 WeakPolarHBondContact O-CD1 3.37Å; V142-D201 HydrophobicContact CG2-CB 4.1Å; V142-I208 HydrophobicContact CG1-CD1 3.69Å | ||
| 143 | K | 93.9 | Very high | 93.9 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | trans | -144.2 | 165.8 | -176 | 74 | -161.8 | 179.4 | -167.4 | 0 | 111.6 | D141 H145 C146 T182 F185 | D141-K143 PolarHBondContact O-N 2.81Å; D141-K143 IonicContact OD1-NZ 3.09Å; D141-K143 WeakPolarHBondContact OD2-CE 3.33Å; D141-K143 IonicContact OD2-NZ 2.74Å; D141-K143 PolarHBondContact OD2-NZ 2.74Å; K143-H145 VanDerWaalsContact C-N 3.3Å; K143-H145 HydrophobicContact CG-CB 4.14Å; K143-H145 PolarHBondContact O-N 2.97Å; K143-H145 VanDerWaalsContact O-N 3.15Å; K143-C146 WeakPolarHBondContact O-CB 3.45Å; K143-C146 PolarHBondContact O-N 3.04Å; K143-T182 HydrophobicContact CD-CG2 4.44Å; K143-T182 WeakPolarHBondContact CD-OG1 3.45Å; K143-T182 PolarHBondContact NZ-OG1 3.47Å; K143-F185 HydrophobicContact CB-CD1 4.02Å; K143-F185 HydrophobicContact CB-CD2 3.86Å; K143-F185 HydrophobicContact CB-CE1 4.15Å; K143-F185 HydrophobicContact CB-CE2 3.99Å; K143-F185 HydrophobicContact CB-CG 3.9Å; K143-F185 HydrophobicContact CB-CZ 4.15Å | ||
| 144 | P | 92.8 | Very high | 93 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -49.9 | -42.1 | -179.6 | -33.4 | 38 | 0 | 0 | 0 | 115.4 | D98 C146 V147 F185 I211 F298 | D98-P144 WeakPolarHBondContact CB-O 3.41Å; P144-C146 PolarHBondContact O-N 3.12Å; P144-C146 VanDerWaalsContact O-N 3.08Å; P144-V147 PolarHBondContact O-N 3Å; P144-F185 VanDerWaalsContact CD-CE1 3.42Å; P144-F185 HydrophobicContact CG-CE1 4.32Å; P144-F185 HydrophobicContact CG-CZ 4.07Å; P144-I211 HydrophobicContact CG-CD1 4.1Å; P144-F298 HydrophobicContact CG-CE1 4.22Å; P144-F298 HydrophobicContact CG-CZ 4.28Å |
| 145 | H | 88.3 | Confident | 92.3 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -57.3 | -24 | 177.6 | -58 | 94.4 | 0 | 0 | 0 | 114.3 | K143 R302 | K143-H145 VanDerWaalsContact C-N 3.3Å; K143-H145 HydrophobicContact CG-CB 4.14Å; K143-H145 PolarHBondContact O-N 2.97Å; K143-H145 VanDerWaalsContact O-N 3.15Å; H145-R302 PolarHBondContact CD2-NH2 3.37Å; H145-R302 PolarHBondContact CE1-NE 3.28Å; H145-R302 PolarHBondContact CE1-NH2 3.4Å; H145-R302 PolarHBondContact NE2-NE 2.97Å; H145-R302 PolarHBondContact NE2-NH2 3.4Å |
| 146 | C | 93.9 | Very high | 92 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -88.9 | -10 | 180 | -67.4 | 0 | 0 | 0 | 0 | 112.9 | K143 P144 L160 G161 | K143-C146 WeakPolarHBondContact O-CB 3.45Å; K143-C146 PolarHBondContact O-N 3.04Å; P144-C146 PolarHBondContact O-N 3.12Å; P144-C146 VanDerWaalsContact O-N 3.08Å; C146-L160 HydrophobicContact CB-CD1 4.06Å; C146-L160 CarbonylContact O-C 3.52Å; C146-L160 WeakPolarHBondContact O-CA 3.36Å; C146-G161 WeakPolarHBondContact CB-O 3.46Å; C146-G161 PolarHBondContact O-N 3.45Å; C146-G161 PolarHBondContact SG-O 3.44Å |
| 147 | V | 96.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 94.1 | -173.1 | -177.4 | 0 | 0 | 0 | 0 | 109 | D98 L99 I125 P144 V158 L160 I208 | D98-V147 WeakPolarHBondContact CA-O 3.34Å; L99-V147 HydrophobicContact CB-CB 4.41Å; L99-V147 HydrophobicContact CB-CG1 3.83Å; L99-V147 HydrophobicContact CD2-CG1 3.76Å; L99-V147 HydrophobicContact CG-CG1 4.43Å; L99-V147 PolarHBondContact N-O 3.46Å; I125-V147 HydrophobicContact CD1-CG1 3.59Å; I125-V147 HydrophobicContact CD1-CG2 4.3Å; I125-V147 HydrophobicContact CG1-CG1 3.86Å; I125-V147 HydrophobicContact CG1-CG2 4.49Å; P144-V147 PolarHBondContact O-N 3Å; V147-V158 HydrophobicContact CG1-CG1 3.39Å; V147-L160 HydrophobicContact CG2-CD1 4.19Å; V147-I208 HydrophobicContact CG2-CD1 3.89Å |
| 148 | L | 95.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 164.4 | -173.8 | -55 | -179.1 | 0 | 0 | 0 | 111.2 | V75 M94 D98 V158 K159 | V75-L148 HydrophobicContact CG2-CD1 4.46Å; M94-L148 HydrophobicContact CB-CB 4.35Å; M94-L148 HydrophobicContact CB-CD1 4.34Å; M94-L148 HydrophobicContact CG-CB 3.98Å; M94-L148 HydrophobicContact CG-CD1 3.81Å; M94-L148 HydrophobicContact SD-CB 4.46Å; D98-L148 HydrophobicContact CB-CD2 3.95Å; L148-V158 CarbonylContact O-C 3.45Å; L148-V158 VanDerWaalsContact O-CA 3.32Å; L148-V158 WeakPolarHBondContact O-CA 3.25Å; L148-K159 PolarHBondContact N-O 3.06Å; L148-K159 PolarHBondContact O-N 2.82Å |
| 149 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.6 | 171.6 | -77.3 | 148.3 | 0 | 0 | 0 | 109.4 | G96 A97 L99 E102 Y121 S151 A156 V158 | G96-L149 VanDerWaalsContact CA-O 3.27Å; G96-L149 WeakPolarHBondContact CA-O 3.49Å; G96-L149 PolarHBondContact N-O 3.14Å; G96-L149 VanDerWaalsContact N-O 3.09Å; A97-L149 PolarHBondContact O-N 2.86Å; L99-L149 HydrophobicContact CD1-CD1 3.81Å; L99-L149 HydrophobicContact CD1-CD2 4.47Å; L99-L149 HydrophobicContact CD1-CG 4.29Å; E102-L149 HydrophobicContact CB-CD1 3.36Å; E102-L149 HydrophobicContact CG-CD1 3.62Å; Y121-L149 HydrophobicContact CE1-CD2 4.33Å; L149-S151 PolarHBondContact O-N 3.22Å; L149-S151 VanDerWaalsContact O-N 3.17Å; L149-A156 HydrophobicContact CD2-CB 4.24Å; L149-A156 WeakPolarHBondContact CD2-O 3.39Å; L149-V158 HydrophobicContact CD2-CG2 3.72Å; L149-V158 HydrophobicContact CG-CG2 4.36Å |
| 150 | A | 91.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 19% | 0.19 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -60.3 | -30.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M94 D95 P157 K159 | M94-A150 HydrophobicContact CE-CB 4.32Å; M94-A150 HydrophobicContact SD-CB 4.24Å; D95-A150 PolarHBondContact N-O 2.83Å; A150-P157 HydrophobicContact CB-CG 3.85Å; A150-P157 PolarHBondContact N-O 3.46Å; A150-K159 HydrophobicContact CB-CD 4.46Å |
| 151 | S | 90.4 | Very high | 91.8 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -147.9 | 172.4 | 174.1 | 78.6 | 0 | 0 | 0 | 0 | 113.2 | L149 E153 A156 | L149-S151 PolarHBondContact O-N 3.22Å; L149-S151 VanDerWaalsContact O-N 3.17Å; S151-E153 PolarHBondContact O-N 2.9Å; S151-E153 PolarHBondContact OG-N 2.77Å; S151-A156 WeakPolarHBondContact O-CB 3.35Å; S151-A156 WeakPolarHBondContact OG-CB 3.41Å |
| 152 | K | 83.8 | Confident | 91.6 | Very high | 108 Ų | 108 | 39 Ų | 39 | 47% | 0.47 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -72.9 | -8.2 | 175.7 | -64.6 | 177 | -170.6 | 97.5 | 0 | 114.1 | D95 | D95-K152 VanDerWaalsContact O-CE 3.24Å; D95-K152 WeakPolarHBondContact O-CE 3.35Å; D95-K152 WeakPolarHBondContact O-CG 3.14Å; D95-K152 PolarHBondContact O-NZ 2.95Å; D95-K152 IonicContact OD1-NZ 3.61Å; D95-K152 PolarHBondContact OD1-NZ 2.78Å; D95-K152 WeakPolarHBondContact OD2-CG 3.3Å; D95-K152 IonicContact OD2-NZ 2.66Å; D95-K152 PolarHBondContact OD2-NZ 3.44Å |
| 153 | E | 84.1 | Confident | 91.4 | Very high | 123 Ų | 123 | 39.1 Ų | 39.1 | 58% | 0.575 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -62.9 | 151.6 | 179.3 | -64.2 | -175.5 | 177.1 | 0 | 0 | 112.3 | R106 S151 S155 A156 | R106-E153 PolarHBondContact NH2-O 3.16Å; S151-E153 PolarHBondContact O-N 2.9Å; S151-E153 PolarHBondContact OG-N 2.77Å; E153-S155 PolarHBondContact O-N 3.37Å; E153-S155 PolarHBondContact OE2-OG 2.89Å; E153-A156 HydrophobicContact CB-CB 4.38Å; E153-A156 VanDerWaalsContact O-CB 3.27Å; E153-A156 WeakPolarHBondContact O-CB 3.47Å; E153-A156 PolarHBondContact O-N 2.7Å |
| 154 | N | 78.4 | Confident | 91.1 | Very high | 104 Ų | 104 | 39 Ų | 39 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -20.2 | 176.3 | -71.4 | -23.5 | 0 | 0 | 0 | 113.2 | R106 F111 | R106-N154 WeakPolarHBondContact CD-OD1 3.19Å; F111-N154 HydrophobicContact CE2-CB 4.3Å |
| 155 | S | 83.8 | Confident | 91 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.3 | 175.5 | 36.5 | 0 | 0 | 0 | 0 | 113.9 | E153 | E153-S155 PolarHBondContact O-N 3.37Å; E153-S155 PolarHBondContact OE2-OG 2.89Å |
| 156 | A | 88.9 | Confident | 91.3 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 133.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L149 S151 E153 | L149-A156 HydrophobicContact CD2-CB 4.24Å; L149-A156 WeakPolarHBondContact CD2-O 3.39Å; S151-A156 WeakPolarHBondContact O-CB 3.35Å; S151-A156 WeakPolarHBondContact OG-CB 3.41Å; E153-A156 HydrophobicContact CB-CB 4.38Å; E153-A156 VanDerWaalsContact O-CB 3.27Å; E153-A156 WeakPolarHBondContact O-CB 3.47Å; E153-A156 PolarHBondContact O-N 2.7Å |
| 157 | P | 94 | Very high | 91.3 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -67 | 143.7 | 175.3 | 28.1 | -33.6 | 0 | 0 | 0 | 110.6 | A150 | A150-P157 HydrophobicContact CB-CG 3.85Å; A150-P157 PolarHBondContact N-O 3.46Å |
| 158 | V | 96.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 135.7 | 167.2 | 174.3 | 0 | 0 | 0 | 0 | 108.5 | H73 L99 Y121 Q124 I125 V147 L148 L149 | H73-V158 PolarHBondContact ND1-O 3.43Å; L99-V158 HydrophobicContact CD1-CG2 4.24Å; Y121-V158 HydrophobicContact CD1-CG2 3.45Å; Y121-V158 VanDerWaalsContact CD1-CG2 3.45Å; Y121-V158 HydrophobicContact CE1-CG2 4.12Å; Y121-V158 HydrophobicContact CG-CG2 4.11Å; Q124-V158 HydrophobicContact CB-CB 4.21Å; I125-V158 HydrophobicContact CD1-CG1 4.37Å; I125-V158 HydrophobicContact CG1-CG1 3.77Å; V147-V158 HydrophobicContact CG1-CG1 3.39Å; L148-V158 CarbonylContact O-C 3.45Å; L148-V158 VanDerWaalsContact O-CA 3.32Å; L148-V158 WeakPolarHBondContact O-CA 3.25Å; L149-V158 HydrophobicContact CD2-CG2 3.72Å; L149-V158 HydrophobicContact CG-CG2 4.36Å |
| 159 | K | 97.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 135.2 | 175.3 | -66.7 | -166 | 166.4 | -160 | 0 | 111 | P72 H73 V75 E92 M94 L148 A150 | P72-K159 WeakPolarHBondContact O-CE 3.26Å; H73-K159 WeakPolarHBondContact O-CA 3.45Å; V75-K159 HydrophobicContact CG2-CB 3.73Å; E92-K159 WeakPolarHBondContact OE1-CD 3.27Å; E92-K159 IonicContact OE1-NZ 2.69Å; E92-K159 PolarHBondContact OE1-NZ 3.16Å; E92-K159 IonicContact OE2-NZ 2.68Å; E92-K159 PolarHBondContact OE2-NZ 2.95Å; M94-K159 HydrophobicContact CE-CD 4.01Å; M94-K159 HydrophobicContact SD-CB 4.06Å; M94-K159 HydrophobicContact SD-CD 3.84Å; M94-K159 HydrophobicContact SD-CG 4.3Å; L148-K159 PolarHBondContact N-O 3.06Å; L148-K159 PolarHBondContact O-N 2.82Å; A150-K159 HydrophobicContact CB-CD 4.46Å |
| 160 | L | 97.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.8 | 175.5 | -174.8 | 63 | 0 | 0 | 0 | 109.6 | H73 I74 V75 A128 C146 V147 F163 | H73-L160 PolarHBondContact O-N 2.99Å; I74-L160 CarbonylContact C-O 3.58Å; I74-L160 WeakPolarHBondContact CA-O 3.31Å; V75-L160 PolarHBondContact N-O 3.17Å; A128-L160 HydrophobicContact CB-CB 4.09Å; A128-L160 HydrophobicContact CB-CD2 4.25Å; C146-L160 HydrophobicContact CB-CD1 4.06Å; C146-L160 CarbonylContact O-C 3.52Å; C146-L160 WeakPolarHBondContact O-CA 3.36Å; V147-L160 HydrophobicContact CG2-CD1 4.19Å; L160-F163 HydrophobicContact CG-CZ 4.38Å |
| 161 | G | 94.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | trans | -131.2 | -173.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H139 C146 | H139-G161 PolarHBondContact NE2-O 2.98Å; H139-G161 VanDerWaalsContact NE2-O 3.14Å; C146-G161 WeakPolarHBondContact CB-O 3.46Å; C146-G161 PolarHBondContact O-N 3.45Å; C146-G161 PolarHBondContact SG-O 3.44Å | ||
| 162 | G | 89.2 | Confident | 90.7 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | trans | 85.4 | 39 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | H139 G164 | H139-G162 PolarHBondContact CE1-O 3.02Å; G162-G164 PolarHBondContact O-N 3.36Å; G162-G164 VanDerWaalsContact O-N 3.08Å | ||
| 163 | F | 93.4 | Very high | 91 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -74.7 | 15.1 | -179.2 | -65.7 | -92 | 0 | 0 | 0 | 115.1 | I65 L69 I74 H139 L160 V165 A166 | I65-F163 HydrophobicContact CG2-CB 4.35Å; I65-F163 HydrophobicContact CG2-CD1 4.22Å; L69-F163 HydrophobicContact CD1-CD1 3.72Å; L69-F163 HydrophobicContact CD1-CD2 4.49Å; L69-F163 HydrophobicContact CD1-CE1 3.43Å; L69-F163 VanDerWaalsContact CD1-CE1 3.43Å; L69-F163 HydrophobicContact CD1-CE2 4.25Å; L69-F163 HydrophobicContact CD1-CG 4.26Å; L69-F163 HydrophobicContact CD1-CZ 3.73Å; I74-F163 HydrophobicContact CD1-CZ 4.43Å; I74-F163 HydrophobicContact CG2-CE2 3.8Å; I74-F163 HydrophobicContact CG2-CZ 4.02Å; H139-F163 AromaticContact CD2-CE1 3.89Å; L160-F163 HydrophobicContact CG-CZ 4.38Å; F163-V165 PolarHBondContact O-N 3.3Å; F163-A166 HydrophobicContact CB-CB 3.84Å; F163-A166 HydrophobicContact CD1-CB 3.81Å; F163-A166 HydrophobicContact CG-CB 4.33Å; F163-A166 WeakPolarHBondContact O-CB 3.19Å; F163-A166 PolarHBondContact O-N 3.15Å |
| 164 | G | 87.6 | Confident | 91.4 | Very high | 37 Ų | 37 | 50 Ų | 50 | 38% | 0.381 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -62.7 | -14.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | E62 G162 | E62-G164 VanDerWaalsContact OE1-CA 3.29Å; E62-G164 WeakPolarHBondContact OE1-CA 3.28Å; E62-G164 PolarHBondContact OE1-N 2.78Å; G162-G164 PolarHBondContact O-N 3.36Å; G162-G164 VanDerWaalsContact O-N 3.08Å |
| 165 | V | 90.2 | Very high | 92 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -119.8 | 12.3 | 168.8 | -60.1 | 0 | 0 | 0 | 0 | 113 | R140 D141 F163 V180 | R140-V165 HydrophobicContact CB-CG2 4.42Å; R140-V165 PolarHBondContact NE-O 3.15Å; R140-V165 PolarHBondContact NH2-O 3.12Å; D141-V165 HydrophobicContact CB-CG2 3.57Å; F163-V165 PolarHBondContact O-N 3.3Å; V165-V180 HydrophobicContact CB-CG1 3.81Å; V165-V180 HydrophobicContact CG1-CG1 4.25Å; V165-V180 HydrophobicContact CG2-CG1 4.09Å |
| 166 | A | 94.8 | Very high | 92 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | trans | -66.4 | 158.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I65 I137 I138 F163 | I65-A166 HydrophobicContact CD1-CB 4.1Å; I65-A166 HydrophobicContact CG2-CB 4.13Å; I137-A166 HydrophobicContact CG2-CB 4.39Å; I138-A166 VanDerWaalsContact O-CA 3.27Å; I138-A166 WeakPolarHBondContact O-CA 3.22Å; I138-A166 WeakPolarHBondContact O-CB 3.34Å; F163-A166 HydrophobicContact CB-CB 3.84Å; F163-A166 HydrophobicContact CD1-CB 3.81Å; F163-A166 HydrophobicContact CG-CB 4.33Å; F163-A166 WeakPolarHBondContact O-CB 3.19Å; F163-A166 PolarHBondContact O-N 3.15Å | ||
| 167 | I | 94.8 | Very high | 91.3 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 141.7 | 177.4 | -172.4 | 157.9 | 0 | 0 | 0 | 110.5 | I137 I138 V175 | I137-I167 WeakPolarHBondContact CA-O 3.46Å; I138-I167 HydrophobicContact CD1-CG2 3.97Å; I138-I167 HydrophobicContact CG1-CG2 3.61Å; I138-I167 PolarHBondContact N-O 3.16Å; I138-I167 PolarHBondContact O-N 3.37Å; I167-V175 HydrophobicContact CD1-CG1 4.12Å; I167-V175 HydrophobicContact CG1-CG1 4.42Å; I167-V175 HydrophobicContact CG2-CG1 3.78Å |
| 168 | Q | 95.6 | Very high | 90.7 | Very high | 98 Ų | 98 | 45.8 Ų | 45.8 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.7 | 169.1 | -165.9 | 172.7 | 29.1 | 0 | 0 | 109.5 | N135 I137 | N135-Q168 PolarHBondContact O-NE2 3.45Å; I137-Q168 HydrophobicContact CG1-CB 4.13Å; I137-Q168 HydrophobicContact CG1-CG 4.11Å |
| 169 | L | 94.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | trans | -75.6 | 137.5 | 178.6 | -63.4 | 170.3 | 0 | 0 | 0 | 110.6 | N136 I138 G173 V175 K198 | N136-L169 HydrophobicContact CB-CB 4.37Å; N136-L169 WeakPolarHBondContact O-CB 3.11Å; N136-L169 WeakPolarHBondContact O-CG 3.49Å; N136-L169 PolarHBondContact O-N 2.85Å; I138-L169 HydrophobicContact CD1-CD2 3.92Å; I138-L169 HydrophobicContact CG1-CD2 4.21Å; I138-L169 HydrophobicContact CG1-CG 4.34Å; I138-L169 HydrophobicContact CG2-CD1 3.7Å; I138-L169 HydrophobicContact CG2-CG 4.19Å; L169-G173 WeakPolarHBondContact CD1-O 3.36Å; L169-V175 HydrophobicContact CD2-CG1 3.64Å; L169-K198 HydrophobicContact CD1-CG 3.84Å | ||
| 170 | G | 90.6 | Very high | 89.7 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | trans | -76.9 | -173.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S172 G173 | G170-S172 PolarHBondContact O-N 3.11Å; G170-G173 PolarHBondContact O-N 2.98Å | ||
| 171 | E | 87.3 | Confident | 89.1 | Confident | 214 Ų | 214 | 52.7 Ų | 52.7 | 100% | 1 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.9 | -175.7 | -60.8 | -176.7 | 164.5 | 0 | 0 | 114.4 | G173 | E171-G173 PolarHBondContact O-N 3.13Š|
| 172 | S | 86.4 | Confident | 88.8 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 62% | 0.622 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17 | 175.5 | 60 | 0 | 0 | 0 | 0 | 114.3 | G170 L174 | G170-S172 PolarHBondContact O-N 3.11Å; S172-L174 PolarHBondContact O-N 2.97Å; S172-L174 PolarHBondContact OG-N 3.32Å; S172-L174 PolarHBondContact OG-O 2.91Å; S172-L174 VanDerWaalsContact OG-O 3.14Å |
| 173 | G | 90.4 | Very high | 88.7 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 66.6 | 7.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | L169 G170 E171 | L169-G173 WeakPolarHBondContact CD1-O 3.36Å; G170-G173 PolarHBondContact O-N 2.98Å; E171-G173 PolarHBondContact O-N 3.13Å |
| 174 | L | 92.4 | Very high | 88.5 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | trans | -133 | 146 | -174.5 | -63.4 | 174.4 | 0 | 0 | 0 | 111.5 | S172 P195 Y196 | S172-L174 PolarHBondContact O-N 2.97Å; S172-L174 PolarHBondContact OG-N 3.32Å; S172-L174 PolarHBondContact OG-O 2.91Å; S172-L174 VanDerWaalsContact OG-O 3.14Å; L174-P195 HydrophobicContact CD1-CB 4.49Å; L174-Y196 CarbonylContact C-O 3.5Å; L174-Y196 WeakPolarHBondContact CA-O 3.22Å | ||
| 175 | V | 91.9 | Very high | 88.8 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -99.8 | 158.2 | 165.8 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | I138 I167 L169 P195 Y196 | I138-V175 HydrophobicContact CD1-CG1 4.46Å; I138-V175 HydrophobicContact CD1-CG2 4.41Å; I167-V175 HydrophobicContact CD1-CG1 4.12Å; I167-V175 HydrophobicContact CG1-CG1 4.42Å; I167-V175 HydrophobicContact CG2-CG1 3.78Å; L169-V175 HydrophobicContact CD2-CG1 3.64Å; V175-P195 WeakPolarHBondContact O-CA 3.2Å; V175-Y196 HydrophobicContact CG2-CD1 4.28Å; V175-Y196 HydrophobicContact CG2-CD2 3.68Å; V175-Y196 HydrophobicContact CG2-CE1 3.92Å; V175-Y196 HydrophobicContact CG2-CE2 3.26Å; V175-Y196 HydrophobicContact CG2-CG 4.16Å; V175-Y196 PolarHBondContact N-O 3.32Å; V175-Y196 PolarHBondContact O-N 3.26Å |
| 176 | A | 83.1 | Confident | 89 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 145.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 177 | G | 73.3 | Confident | 89.1 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 141.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R193 E194 | G177-R193 WeakPolarHBondContact CA-O 3.43Å; G177-E194 WeakPolarHBondContact CA-O 3.11Å |
| 178 | G | 82.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | trans | 169.7 | 154.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V180 Y196 | G178-V180 PolarHBondContact O-N 2.95Å; G178-Y196 WeakPolarHBondContact O-CE1 3.45Å | ||
| 179 | R | 85.7 | Confident | 89.3 | Confident | 104 Ų | 104 | 46.7 Ų | 46.7 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | trans | -87.7 | 99.5 | 179.3 | -71.1 | 178.9 | -174.8 | 171.6 | -2.1 | 110 | M186 V190 V191 R193 F227 | R179-M186 HydrophobicContact CB-CE 4.2Å; R179-M186 HydrophobicContact CB-SD 4.26Å; R179-M186 HydrophobicContact CG-SD 4.48Å; R179-V190 WeakPolarHBondContact CG-O 3.5Å; R179-V191 VanDerWaalsContact CZ-O 3.26Å; R179-V191 PolarHBondContact NE-O 2.98Å; R179-V191 PolarHBondContact NH2-O 3.31Å; R179-R193 HydrophobicContact CG-CG 4.14Å; R179-F227 VanDerWaalsContact NH1-CE2 3.26Å | ||
| 180 | V | 86.8 | Confident | 89.3 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | trans | -121 | 142.5 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | R140 V165 G178 | R140-V180 HydrophobicContact CB-CG1 4.39Å; V165-V180 HydrophobicContact CB-CG1 3.81Å; V165-V180 HydrophobicContact CG1-CG1 4.25Å; V165-V180 HydrophobicContact CG2-CG1 4.09Å; G178-V180 PolarHBondContact O-N 2.95Å | ||
| 181 | G | 85.9 | Confident | 89.5 | Confident | 27 Ų | 27 | 44 Ų | 44 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 99.2 | -171.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R140 D141 M186 | R140-G181 WeakPolarHBondContact O-CA 3.45Å; D141-G181 WeakPolarHBondContact OD1-CA 3.05Å; G181-M186 WeakPolarHBondContact O-CE 3.48Å |
| 182 | T | 87.1 | Confident | 89.7 | Confident | 40 Ų | 40 | 39 Ų | 39 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | trans | -86.7 | 124.9 | -177.7 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | D141 K143 H184 F185 M186 | D141-T182 VanDerWaalsContact OD1-CB 3.26Å; D141-T182 WeakPolarHBondContact OD1-CB 3.08Å; D141-T182 PolarHBondContact OD1-N 2.72Å; D141-T182 PolarHBondContact OD1-OG1 2.7Å; K143-T182 HydrophobicContact CD-CG2 4.44Å; K143-T182 WeakPolarHBondContact CD-OG1 3.45Å; K143-T182 PolarHBondContact NZ-OG1 3.47Å; T182-H184 PolarHBondContact O-N 3.07Å; T182-H184 VanDerWaalsContact O-N 3.1Å; T182-F185 HydrophobicContact CG2-CD2 3.92Å; T182-F185 HydrophobicContact CG2-CE2 4.37Å; T182-F185 PolarHBondContact O-N 3.4Å; T182-M186 PolarHBondContact O-N 2.96Å | ||
| 183 | P | 87.7 | Confident | 90.1 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -47.5 | -46.4 | -169 | -33.9 | 36.7 | 0 | 0 | 0 | 116.4 | F185 M186 L226 F227 I230 | P183-F185 PolarHBondContact O-N 2.96Å; P183-F185 VanDerWaalsContact O-N 3.14Å; P183-M186 HydrophobicContact CG-CE 4.38Å; P183-M186 PolarHBondContact O-N 3.3Å; P183-L226 HydrophobicContact CB-CD2 3.75Å; P183-F227 HydrophobicContact CB-CE1 4.13Å; P183-I230 WeakPolarHBondContact O-CD1 3.29Å |
| 184 | H | 88.9 | Confident | 90.3 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -64.2 | -15.4 | 180 | -74.4 | 103.4 | 0 | 0 | 0 | 115.2 | T182 L217 F219 L226 E355 | T182-H184 PolarHBondContact O-N 3.07Å; T182-H184 VanDerWaalsContact O-N 3.1Å; H184-L217 HydrophobicContact CB-CD2 4.38Å; H184-F219 PolarHBondContact CD2-O 3.36Å; H184-L226 VanDerWaalsContact CD2-CD1 3.43Å; H184-L226 WeakPolarHBondContact CD2-CD1 3.38Å; H184-E355 IonicContact CE1-OE2 3.03Å; H184-E355 PolarHBondContact CE1-OE2 3.14Å; H184-E355 IonicContact ND1-OE2 3.48Å; H184-E355 IonicContact NE2-OE2 3Å |
| 185 | F | 94.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -112.1 | -2.4 | -178.2 | -59.7 | -92.2 | 0 | 0 | 0 | 112.3 | V142 K143 P144 T182 P183 V207 I208 I211 L217 | V142-F185 WeakPolarHBondContact O-CD1 3.37Å; K143-F185 HydrophobicContact CB-CD1 4.02Å; K143-F185 HydrophobicContact CB-CD2 3.86Å; K143-F185 HydrophobicContact CB-CE1 4.15Å; K143-F185 HydrophobicContact CB-CE2 3.99Å; K143-F185 HydrophobicContact CB-CG 3.9Å; K143-F185 HydrophobicContact CB-CZ 4.15Å; P144-F185 VanDerWaalsContact CD-CE1 3.42Å; P144-F185 HydrophobicContact CG-CE1 4.32Å; P144-F185 HydrophobicContact CG-CZ 4.07Å; T182-F185 HydrophobicContact CG2-CD2 3.92Å; T182-F185 HydrophobicContact CG2-CE2 4.37Å; T182-F185 PolarHBondContact O-N 3.4Å; P183-F185 PolarHBondContact O-N 2.96Å; P183-F185 VanDerWaalsContact O-N 3.14Å; F185-V207 HydrophobicContact CD1-CB 3.83Å; F185-V207 HydrophobicContact CD1-CG1 3.53Å; F185-V207 HydrophobicContact CE1-CB 4.09Å; F185-V207 HydrophobicContact CE1-CG1 3.41Å; F185-V207 VanDerWaalsContact CE1-CG1 3.41Å; F185-V207 HydrophobicContact CG-CG1 4.34Å; F185-V207 HydrophobicContact CZ-CG1 4.16Å; F185-I208 HydrophobicContact CD1-CG1 4.5Å; F185-I208 HydrophobicContact CE1-CG1 4.18Å; F185-I211 HydrophobicContact CE1-CD1 3.81Å; F185-I211 HydrophobicContact CZ-CD1 3.82Å; F185-L217 HydrophobicContact CZ-CD2 4.32Å |
| 186 | M | 94.8 | Very high | 90.6 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 6% | 0.064 | 25% | 0.25 | C | S | . | . | trans | -68.7 | 136.7 | 176.2 | -67.5 | -175.9 | -176 | 0 | 0 | 111.1 | R179 G181 T182 P183 V190 V191 W203 F227 | R179-M186 HydrophobicContact CB-CE 4.2Å; R179-M186 HydrophobicContact CB-SD 4.26Å; R179-M186 HydrophobicContact CG-SD 4.48Å; G181-M186 WeakPolarHBondContact O-CE 3.48Å; T182-M186 PolarHBondContact O-N 2.96Å; P183-M186 HydrophobicContact CG-CE 4.38Å; P183-M186 PolarHBondContact O-N 3.3Å; M186-V190 HydrophobicContact CB-CB 4.33Å; M186-V190 HydrophobicContact CB-CG1 4.26Å; M186-V190 HydrophobicContact CG-CG1 4.12Å; M186-V190 HydrophobicContact SD-CG1 4.12Å; M186-V191 HydrophobicContact CB-CG2 3.74Å; M186-V191 HydrophobicContact SD-CG2 4.35Å; M186-W203 PolarHBondContact O-NE1 2.8Å; M186-F227 HydrophobicContact SD-CE1 4.33Å | ||
| 187 | A | 96.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | trans | -73.1 | 156.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E189 V190 V191 V200 W203 | A187-E189 VanDerWaalsContact C-N 3.29Å; A187-E189 HydrophobicContact CB-CG 4.38Å; A187-E189 WeakPolarHBondContact CB-OE2 3.45Å; A187-E189 PolarHBondContact O-N 3.41Å; A187-V190 HydrophobicContact CB-CG2 4.25Å; A187-V190 WeakPolarHBondContact O-CB 3.38Å; A187-V190 PolarHBondContact O-N 3.12Å; A187-V191 PolarHBondContact O-N 3Å; A187-V200 HydrophobicContact CB-CB 4.09Å; A187-V200 HydrophobicContact CB-CG1 4.06Å; A187-W203 VanDerWaalsContact CA-CD1 3.49Å; A187-W203 HydrophobicContact CB-CB 3.83Å; A187-W203 HydrophobicContact CB-CD2 4.28Å; A187-W203 HydrophobicContact CB-CG 3.76Å | ||
| 188 | P | 96.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.5 | -42.7 | -179.3 | -27.3 | 34.8 | 0 | 0 | 0 | 113.9 | V190 V191 K192 W203 I230 L259 | P188-V190 VanDerWaalsContact C-N 3.34Å; P188-V190 PolarHBondContact O-N 3.27Å; P188-V191 PolarHBondContact O-N 3.18Å; P188-K192 WeakPolarHBondContact O-CB 3.42Å; P188-K192 VanDerWaalsContact O-CG 3.24Å; P188-K192 WeakPolarHBondContact O-CG 3.23Å; P188-K192 PolarHBondContact O-N 2.7Å; P188-W203 HydrophobicContact CG-CE3 4.27Å; P188-W203 HydrophobicContact CG-CH2 3.63Å; P188-W203 HydrophobicContact CG-CZ2 4.04Å; P188-W203 HydrophobicContact CG-CZ3 3.75Å; P188-I230 HydrophobicContact CB-CG2 4.49Å; P188-I230 HydrophobicContact CG-CG2 4.12Å; P188-L259 HydrophobicContact CB-CD2 4.23Å; P188-L259 HydrophobicContact CG-CD2 3.52Å |
| 189 | E | 96.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 177.8 | 60.6 | -86.7 | -155.4 | 0 | 0 | 112.6 | A187 K192 R193 E194 V200 R264 | A187-E189 VanDerWaalsContact C-N 3.29Å; A187-E189 HydrophobicContact CB-CG 4.38Å; A187-E189 WeakPolarHBondContact CB-OE2 3.45Å; A187-E189 PolarHBondContact O-N 3.41Å; E189-K192 PolarHBondContact O-N 3.28Å; E189-R193 PolarHBondContact O-N 3.41Å; E189-R193 VanDerWaalsContact O-N 3.1Å; E189-E194 WeakPolarHBondContact CA-OE2 3.42Å; E189-E194 HydrophobicContact CB-CB 4.21Å; E189-E194 PolarHBondContact O-N 3.09Å; E189-V200 HydrophobicContact CG-CG1 4.07Å; E189-V200 WeakPolarHBondContact OE1-CG1 3.08Å; E189-R264 IonicContact OE1-CZ 3.8Å; E189-R264 IonicContact OE1-NH1 3.66Å; E189-R264 PolarHBondContact OE1-NH1 3.19Å; E189-R264 IonicContact OE1-NH2 3.05Å; E189-R264 PolarHBondContact OE1-NH2 2.92Å; E189-R264 IonicContact OE2-CZ 3.36Å; E189-R264 IonicContact OE2-NH1 3.76Å; E189-R264 IonicContact OE2-NH2 2.73Å; E189-R264 PolarHBondContact OE2-NH2 3.17Å |
| 190 | V | 95.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | R179 M186 A187 P188 K192 R193 Y196 V200 | R179-V190 WeakPolarHBondContact CG-O 3.5Å; M186-V190 HydrophobicContact CB-CB 4.33Å; M186-V190 HydrophobicContact CB-CG1 4.26Å; M186-V190 HydrophobicContact CG-CG1 4.12Å; M186-V190 HydrophobicContact SD-CG1 4.12Å; A187-V190 HydrophobicContact CB-CG2 4.25Å; A187-V190 WeakPolarHBondContact O-CB 3.38Å; A187-V190 PolarHBondContact O-N 3.12Å; P188-V190 VanDerWaalsContact C-N 3.34Å; P188-V190 PolarHBondContact O-N 3.27Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 3.29Å; V190-R193 PolarHBondContact O-N 2.72Å; V190-R193 VanDerWaalsContact O-N 3.11Å; V190-Y196 HydrophobicContact CG1-CE1 4.46Å; V190-Y196 HydrophobicContact CG2-CD1 3.86Å; V190-Y196 HydrophobicContact CG2-CD2 4.17Å; V190-Y196 HydrophobicContact CG2-CE1 4.12Å; V190-Y196 HydrophobicContact CG2-CE2 4.39Å; V190-Y196 HydrophobicContact CG2-CG 3.91Å; V190-V200 HydrophobicContact CG2-CB 4.16Å; V190-V200 HydrophobicContact CG2-CG1 3.59Å |
| 191 | V | 93.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | R179 M186 A187 P188 R193 F227 I230 | R179-V191 VanDerWaalsContact CZ-O 3.26Å; R179-V191 PolarHBondContact NE-O 2.98Å; R179-V191 PolarHBondContact NH2-O 3.31Å; M186-V191 HydrophobicContact CB-CG2 3.74Å; M186-V191 HydrophobicContact SD-CG2 4.35Å; A187-V191 PolarHBondContact O-N 3Å; P188-V191 PolarHBondContact O-N 3.18Å; V191-R193 PolarHBondContact O-N 2.91Å; V191-F227 HydrophobicContact CB-CD1 4.32Å; V191-F227 HydrophobicContact CG1-CB 3.43Å; V191-F227 VanDerWaalsContact CG1-CB 3.43Å; V191-F227 HydrophobicContact CG1-CD1 3.58Å; V191-F227 HydrophobicContact CG1-CG 3.65Å; V191-F227 HydrophobicContact CG2-CD1 3.8Å; V191-F227 HydrophobicContact CG2-CE1 4.31Å; V191-I230 HydrophobicContact CG2-CB 4.49Å; V191-I230 HydrophobicContact CG2-CD1 4.24Å; V191-I230 HydrophobicContact CG2-CG2 3.92Å |
| 192 | K | 93.1 | Very high | 94.9 | Very high | 109 Ų | 109 | 34.5 Ų | 34.5 | 47% | 0.474 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.5 | -10.9 | 175.8 | -66.9 | 169.3 | -173.6 | 175.6 | 0 | 114.1 | P188 E189 V190 E194 | P188-K192 WeakPolarHBondContact O-CB 3.42Å; P188-K192 VanDerWaalsContact O-CG 3.24Å; P188-K192 WeakPolarHBondContact O-CG 3.23Å; P188-K192 PolarHBondContact O-N 2.7Å; E189-K192 PolarHBondContact O-N 3.28Å; V190-K192 VanDerWaalsContact C-N 3.34Å; V190-K192 PolarHBondContact O-N 3.29Å; K192-E194 VanDerWaalsContact C-N 3.28Å; K192-E194 HydrophobicContact CB-CG 3.87Å; K192-E194 VanDerWaalsContact CD-CD 3.42Å; K192-E194 HydrophobicContact CD-CG 4.42Å; K192-E194 VanDerWaalsContact CD-OE1 3.27Å; K192-E194 WeakPolarHBondContact CD-OE1 3.42Å; K192-E194 VanDerWaalsContact CD-OE2 3.26Å; K192-E194 WeakPolarHBondContact CD-OE2 3.42Å; K192-E194 IonicContact NZ-OE1 3.77Å; K192-E194 IonicContact NZ-OE2 3.66Å |
| 193 | R | 93.3 | Very high | 95.4 | Very high | 163 Ų | 163 | 32.6 Ų | 32.6 | 62% | 0.615 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 29 | -172.6 | -48 | 174.5 | 179.8 | -169.9 | 0.1 | 113.1 | G177 R179 E189 V190 V191 | G177-R193 WeakPolarHBondContact CA-O 3.43Å; R179-R193 HydrophobicContact CG-CG 4.14Å; E189-R193 PolarHBondContact O-N 3.41Å; E189-R193 VanDerWaalsContact O-N 3.1Å; V190-R193 PolarHBondContact O-N 2.72Å; V190-R193 VanDerWaalsContact O-N 3.11Å; V191-R193 PolarHBondContact O-N 2.91Å |
| 194 | E | 94.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 30.1 Ų | 30.1 | 39% | 0.393 | 15% | 0.145 | S | C | . | . | trans | -75 | 157.2 | 171.1 | -67.6 | 165.8 | 165.3 | 0 | 0 | 109.6 | G177 E189 K192 Y196 | G177-E194 WeakPolarHBondContact CA-O 3.11Å; E189-E194 WeakPolarHBondContact CA-OE2 3.42Å; E189-E194 HydrophobicContact CB-CB 4.21Å; E189-E194 PolarHBondContact O-N 3.09Å; K192-E194 VanDerWaalsContact C-N 3.28Å; K192-E194 HydrophobicContact CB-CG 3.87Å; K192-E194 VanDerWaalsContact CD-CD 3.42Å; K192-E194 HydrophobicContact CD-CG 4.42Å; K192-E194 VanDerWaalsContact CD-OE1 3.27Å; K192-E194 WeakPolarHBondContact CD-OE1 3.42Å; K192-E194 VanDerWaalsContact CD-OE2 3.26Å; K192-E194 WeakPolarHBondContact CD-OE2 3.42Å; K192-E194 IonicContact NZ-OE1 3.77Å; K192-E194 IonicContact NZ-OE2 3.66Å; E194-Y196 WeakPolarHBondContact O-CD1 2.71Å | ||
| 195 | P | 94.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 29.3 Ų | 29.3 | 56% | 0.558 | 14% | 0.141 | S | C | * | . | trans | -61.5 | 139.9 | 168.8 | -21.1 | 33.7 | 0 | 0 | 0 | 111.1 | L174 V175 | L174-P195 HydrophobicContact CD1-CB 4.49Å; V175-P195 WeakPolarHBondContact O-CA 3.2Å | ||
| 196 | Y | 96.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -143.6 | 163.8 | -172.6 | 63.1 | -98.6 | 0 | 0 | 0 | 113.1 | I138 R140 L174 V175 G178 V190 E194 V200 | I138-Y196 HydrophobicContact CD1-CD2 4.2Å; I138-Y196 HydrophobicContact CD1-CE2 4.04Å; R140-Y196 WeakPolarHBondContact CD-OH 3.43Å; R140-Y196 HydrophobicContact CG-CE2 4.15Å; R140-Y196 PolarHBondContact NH1-OH 2.93Å; L174-Y196 CarbonylContact C-O 3.5Å; L174-Y196 WeakPolarHBondContact CA-O 3.22Å; V175-Y196 HydrophobicContact CG2-CD1 4.28Å; V175-Y196 HydrophobicContact CG2-CD2 3.68Å; V175-Y196 HydrophobicContact CG2-CE1 3.92Å; V175-Y196 HydrophobicContact CG2-CE2 3.26Å; V175-Y196 HydrophobicContact CG2-CG 4.16Å; V175-Y196 PolarHBondContact N-O 3.32Å; V175-Y196 PolarHBondContact O-N 3.26Å; G178-Y196 WeakPolarHBondContact O-CE1 3.45Å; V190-Y196 HydrophobicContact CG1-CE1 4.46Å; V190-Y196 HydrophobicContact CG2-CD1 3.86Å; V190-Y196 HydrophobicContact CG2-CD2 4.17Å; V190-Y196 HydrophobicContact CG2-CE1 4.12Å; V190-Y196 HydrophobicContact CG2-CE2 4.39Å; V190-Y196 HydrophobicContact CG2-CG 3.91Å; E194-Y196 WeakPolarHBondContact O-CD1 2.71Å; Y196-V200 HydrophobicContact CD2-CB 4.48Å; Y196-V200 HydrophobicContact CD2-CG1 3.62Å; Y196-V200 HydrophobicContact CD2-CG2 4.12Å; Y196-V200 HydrophobicContact CE2-CG2 4.5Å; Y196-V200 HydrophobicContact CG-CG1 3.86Å |
| 197 | G | 96.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | trans | -147.5 | -150.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P199 V200 | G197-P199 VanDerWaalsContact C-N 3.32Å; G197-P199 WeakPolarHBondContact O-CD 3.37Å; G197-P199 VanDerWaalsContact O-N 3.08Å; G197-V200 WeakPolarHBondContact O-CG2 3.38Å; G197-V200 PolarHBondContact O-N 3.27Å | ||
| 198 | K | 98 | Very high | 96.8 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 27% | 0.265 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | -37.2 | -174.8 | -62.4 | 178.7 | -173.1 | -177.1 | 0 | 116.4 | H133 N136 I138 L169 V200 D201 | H133-K198 HydrophobicContact CB-CD 4.01Å; H133-K198 PolarHBondContact CE1-O 3.44Å; H133-K198 VanDerWaalsContact O-CE 3.29Å; H133-K198 WeakPolarHBondContact O-CE 3.24Å; H133-K198 PolarHBondContact O-NZ 3.14Å; N136-K198 WeakPolarHBondContact OD1-CE 3.46Å; N136-K198 PolarHBondContact OD1-NZ 3.34Å; I138-K198 HydrophobicContact CG2-CB 4.29Å; I138-K198 HydrophobicContact CG2-CG 3.8Å; L169-K198 HydrophobicContact CD1-CG 3.84Å; K198-V200 PolarHBondContact O-N 3.16Å; K198-V200 VanDerWaalsContact O-N 3.09Å; K198-D201 PolarHBondContact O-N 3.17Å |
| 199 | P | 98.3 | Very high | 96.9 | Very high | 40 Ų | 40 | 27.7 Ų | 27.7 | 26% | 0.26 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.6 | -18.9 | -179.9 | -28.1 | 37.4 | 0 | 0 | 0 | 116.2 | G197 D201 V202 W203 P261 R264 | G197-P199 VanDerWaalsContact C-N 3.32Å; G197-P199 WeakPolarHBondContact O-CD 3.37Å; G197-P199 VanDerWaalsContact O-N 3.08Å; P199-D201 VanDerWaalsContact C-N 3.33Å; P199-D201 PolarHBondContact O-N 3.15Å; P199-V202 PolarHBondContact O-N 2.94Å; P199-W203 PolarHBondContact O-N 3.47Å; P199-P261 HydrophobicContact CB-CB 3.91Å; P199-P261 HydrophobicContact CG-CB 4.25Å; P199-R264 VanDerWaalsContact C-NH1 3.33Å; P199-R264 WeakPolarHBondContact O-CD 3.42Å; P199-R264 PolarHBondContact O-NH1 3.1Å |
| 200 | V | 98 | Very high | 97 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 179.8 | -55 | 0 | 0 | 0 | 0 | 112.6 | A187 E189 V190 Y196 G197 K198 V202 W203 G204 | A187-V200 HydrophobicContact CB-CB 4.09Å; A187-V200 HydrophobicContact CB-CG1 4.06Å; E189-V200 HydrophobicContact CG-CG1 4.07Å; E189-V200 WeakPolarHBondContact OE1-CG1 3.08Å; V190-V200 HydrophobicContact CG2-CB 4.16Å; V190-V200 HydrophobicContact CG2-CG1 3.59Å; Y196-V200 HydrophobicContact CD2-CB 4.48Å; Y196-V200 HydrophobicContact CD2-CG1 3.62Å; Y196-V200 HydrophobicContact CD2-CG2 4.12Å; Y196-V200 HydrophobicContact CE2-CG2 4.5Å; Y196-V200 HydrophobicContact CG-CG1 3.86Å; G197-V200 WeakPolarHBondContact O-CG2 3.38Å; G197-V200 PolarHBondContact O-N 3.27Å; K198-V200 PolarHBondContact O-N 3.16Å; K198-V200 VanDerWaalsContact O-N 3.09Å; V200-V202 VanDerWaalsContact C-N 3.34Å; V200-W203 WeakPolarHBondContact O-CB 3.39Å; V200-W203 PolarHBondContact O-N 3.1Å; V200-G204 PolarHBondContact O-N 3.01Å; V200-G204 VanDerWaalsContact O-N 3.17Å |
| 201 | D | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.9 | -32 | 179.9 | -62.9 | -36.4 | 0 | 0 | 0 | 111.2 | L129 H133 I138 H139 R140 V142 K198 P199 W203 G204 C205 | L129-D201 HydrophobicContact CD1-CB 3.51Å; L129-D201 HydrophobicContact CD2-CB 3.62Å; L129-D201 HydrophobicContact CG-CB 4.14Å; H133-D201 IonicContact CD2-OD2 2.9Å; H133-D201 IonicContact CE1-OD2 3.85Å; H133-D201 IonicContact NE2-OD2 3.27Å; H133-D201 PolarHBondContact NE2-OD2 3.01Å; I138-D201 VanDerWaalsContact CA-OD2 3.3Å; I138-D201 WeakPolarHBondContact CA-OD2 3.47Å; I138-D201 WeakPolarHBondContact CB-OD2 3.4Å; H139-D201 PolarHBondContact N-OD1 3.32Å; H139-D201 VanDerWaalsContact N-OD1 3.16Å; H139-D201 PolarHBondContact N-OD2 2.85Å; R140-D201 PolarHBondContact N-OD1 3.4Å; V142-D201 HydrophobicContact CG2-CB 4.1Å; K198-D201 PolarHBondContact O-N 3.17Å; P199-D201 VanDerWaalsContact C-N 3.33Å; P199-D201 PolarHBondContact O-N 3.15Å; D201-W203 VanDerWaalsContact C-N 3.34Å; D201-G204 PolarHBondContact O-N 3Å; D201-C205 PolarHBondContact O-N 2.85Å; D201-C205 PolarHBondContact O-SG 3.28Å |
| 202 | V | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.9 | -35.6 | 176.1 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | L129 P199 V200 C205 G206 M256 I265 V267 | L129-V202 HydrophobicContact CD2-CG2 4.43Å; P199-V202 PolarHBondContact O-N 2.94Å; V200-V202 VanDerWaalsContact C-N 3.34Å; V202-C205 PolarHBondContact O-N 3.09Å; V202-G206 PolarHBondContact O-N 3.03Å; V202-M256 HydrophobicContact CG1-CB 4.36Å; V202-M256 HydrophobicContact CG1-CE 3.89Å; V202-M256 HydrophobicContact CG1-CG 4.07Å; V202-I265 HydrophobicContact CG1-CG2 4.28Å; V202-I265 WeakPolarHBondContact CG1-O 3.29Å; V202-V267 HydrophobicContact CG2-CB 4.43Å |
| 203 | W | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 169.6 | 176.8 | -83.6 | 0 | 0 | 0 | 111.3 | M186 A187 P188 P199 V200 D201 C205 G206 V207 F219 I230 L257 L259 | M186-W203 PolarHBondContact O-NE1 2.8Å; A187-W203 VanDerWaalsContact CA-CD1 3.49Å; A187-W203 HydrophobicContact CB-CB 3.83Å; A187-W203 HydrophobicContact CB-CD2 4.28Å; A187-W203 HydrophobicContact CB-CG 3.76Å; P188-W203 HydrophobicContact CG-CE3 4.27Å; P188-W203 HydrophobicContact CG-CH2 3.63Å; P188-W203 HydrophobicContact CG-CZ2 4.04Å; P188-W203 HydrophobicContact CG-CZ3 3.75Å; P199-W203 PolarHBondContact O-N 3.47Å; V200-W203 WeakPolarHBondContact O-CB 3.39Å; V200-W203 PolarHBondContact O-N 3.1Å; D201-W203 VanDerWaalsContact C-N 3.34Å; W203-C205 VanDerWaalsContact C-N 3.34Å; W203-C205 PolarHBondContact O-N 3.1Å; W203-G206 WeakPolarHBondContact O-CA 3.47Å; W203-G206 PolarHBondContact O-N 3.36Å; W203-V207 PolarHBondContact O-N 3.13Å; W203-F219 HydrophobicContact CH2-CE2 4.06Å; W203-F219 AromaticContact CH2-CZ 3.71Å; W203-F219 HydrophobicContact CH2-CZ 3.71Å; W203-F219 HydrophobicContact CZ2-CD2 4.39Å; W203-F219 AromaticContact CZ2-CE2 3.36Å; W203-F219 HydrophobicContact CZ2-CE2 3.36Å; W203-F219 AromaticContact CZ2-CZ 3.49Å; W203-F219 HydrophobicContact CZ2-CZ 3.49Å; W203-F219 VanDerWaalsContact CZ2-CZ 3.49Å; W203-I230 HydrophobicContact CZ2-CG2 3.93Å; W203-L257 HydrophobicContact CD2-CD2 3.9Å; W203-L257 HydrophobicContact CE3-CB 4.46Å; W203-L257 HydrophobicContact CE3-CD2 4.09Å; W203-L257 HydrophobicContact CG-CD2 4.38Å; W203-L257 HydrophobicContact CZ2-CD2 4.34Å; W203-L257 HydrophobicContact CZ3-CB 4.22Å; W203-L257 HydrophobicContact CZ3-CD2 4.39Å; W203-L257 WeakPolarHBondContact CZ3-O 3.39Å; W203-L259 HydrophobicContact CH2-CD2 4.12Å; W203-L259 HydrophobicContact CZ3-CD2 4.3Å |
| 204 | G | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.4 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V200 D201 G206 V207 I208 | V200-G204 PolarHBondContact O-N 3.01Å; V200-G204 VanDerWaalsContact O-N 3.17Å; D201-G204 PolarHBondContact O-N 3Å; G204-G206 VanDerWaalsContact C-N 3.3Å; G204-G206 PolarHBondContact O-N 3.32Å; G204-V207 PolarHBondContact O-N 3.31Å; G204-I208 WeakPolarHBondContact O-CG1 3.15Å; G204-I208 PolarHBondContact O-N 2.85Å |
| 205 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.6 | -33.9 | 171.3 | -71.6 | 0 | 0 | 0 | 0 | 113.3 | M122 L126 D201 V202 W203 I208 L209 M256 | M122-C205 HydrophobicContact CE-CB 4.03Å; M122-C205 WeakPolarHBondContact CE-O 3.23Å; L126-C205 HydrophobicContact CD2-CB 4.06Å; D201-C205 PolarHBondContact O-N 2.85Å; D201-C205 PolarHBondContact O-SG 3.28Å; V202-C205 PolarHBondContact O-N 3.09Å; W203-C205 VanDerWaalsContact C-N 3.34Å; W203-C205 PolarHBondContact O-N 3.1Å; C205-I208 PolarHBondContact O-N 3Å; C205-L209 WeakPolarHBondContact O-CB 3.4Å; C205-L209 PolarHBondContact O-N 2.97Å; C205-M256 HydrophobicContact CB-CE 3.42Å; C205-M256 VanDerWaalsContact CB-CE 3.42Å |
| 206 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V202 W203 G204 L209 F210 | V202-G206 PolarHBondContact O-N 3.03Å; W203-G206 WeakPolarHBondContact O-CA 3.47Å; W203-G206 PolarHBondContact O-N 3.36Å; G204-G206 VanDerWaalsContact C-N 3.3Å; G204-G206 PolarHBondContact O-N 3.32Å; G206-L209 PolarHBondContact O-N 3.39Å; G206-F210 WeakPolarHBondContact O-CB 3.48Å; G206-F210 PolarHBondContact O-N 2.91Å |
| 207 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.5 | -43 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | F185 W203 G204 F210 I211 L217 P218 L257 | F185-V207 HydrophobicContact CD1-CB 3.83Å; F185-V207 HydrophobicContact CD1-CG1 3.53Å; F185-V207 HydrophobicContact CE1-CB 4.09Å; F185-V207 HydrophobicContact CE1-CG1 3.41Å; F185-V207 VanDerWaalsContact CE1-CG1 3.41Å; F185-V207 HydrophobicContact CG-CG1 4.34Å; F185-V207 HydrophobicContact CZ-CG1 4.16Å; W203-V207 PolarHBondContact O-N 3.13Å; G204-V207 PolarHBondContact O-N 3.31Å; V207-F210 PolarHBondContact O-N 2.94Å; V207-I211 HydrophobicContact CG1-CD1 4.17Å; V207-I211 WeakPolarHBondContact O-CG1 3.4Å; V207-I211 PolarHBondContact O-N 3.37Å; V207-L217 HydrophobicContact CG1-CD2 4.38Å; V207-P218 HydrophobicContact CB-CG 4.32Å; V207-P218 HydrophobicContact CG1-CG 3.9Å; V207-P218 HydrophobicContact CG2-CG 4.06Å; V207-L257 HydrophobicContact CG2-CD2 3.89Å |
| 208 | I | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 7.1 Ų | 7.1 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 174 | -65.9 | -179.7 | 0 | 0 | 0 | 111.3 | M122 I125 V142 V147 F185 G204 C205 F210 I211 L212 | M122-I208 HydrophobicContact SD-CB 4.46Å; M122-I208 HydrophobicContact SD-CG2 3.83Å; I125-I208 HydrophobicContact CD1-CG2 4.46Å; V142-I208 HydrophobicContact CG1-CD1 3.69Å; V147-I208 HydrophobicContact CG2-CD1 3.89Å; F185-I208 HydrophobicContact CD1-CG1 4.5Å; F185-I208 HydrophobicContact CE1-CG1 4.18Å; G204-I208 WeakPolarHBondContact O-CG1 3.15Å; G204-I208 PolarHBondContact O-N 2.85Å; C205-I208 PolarHBondContact O-N 3Å; I208-F210 VanDerWaalsContact C-N 3.3Å; I208-F210 PolarHBondContact O-N 3.4Å; I208-I211 WeakPolarHBondContact O-CB 3.43Å; I208-I211 PolarHBondContact O-N 3.12Å; I208-I211 VanDerWaalsContact O-N 3.15Å; I208-L212 HydrophobicContact CG2-CD1 3.91Å; I208-L212 HydrophobicContact CG2-CG 4.1Å; I208-L212 WeakPolarHBondContact O-CG 3.3Å; I208-L212 PolarHBondContact O-N 3.05Å |
| 209 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 177.2 | 175.6 | 62.2 | 0 | 0 | 0 | 111.6 | M122 C205 G206 I211 L212 L213 L252 V253 M256 W275 | M122-L209 HydrophobicContact CE-CB 4.13Å; M122-L209 HydrophobicContact CG-CB 4.4Å; M122-L209 HydrophobicContact CG-CD1 3.89Å; M122-L209 HydrophobicContact SD-CB 4.23Å; C205-L209 WeakPolarHBondContact O-CB 3.4Å; C205-L209 PolarHBondContact O-N 2.97Å; G206-L209 PolarHBondContact O-N 3.39Å; L209-I211 PolarHBondContact O-N 3.06Å; L209-L212 PolarHBondContact O-N 3.16Å; L209-L213 HydrophobicContact CD1-CD1 3.74Å; L209-L213 HydrophobicContact CD1-CG 3.95Å; L209-L213 HydrophobicContact CG-CD1 3.94Å; L209-L213 HydrophobicContact CG-CG 4.5Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.5Å; L209-L213 PolarHBondContact O-N 3.36Å; L209-L252 HydrophobicContact CD2-CB 4.3Å; L209-L252 HydrophobicContact CD2-CD2 3.88Å; L209-L252 HydrophobicContact CD2-CG 3.83Å; L209-V253 HydrophobicContact CB-CG2 4.49Å; L209-V253 HydrophobicContact CD2-CG2 3.55Å; L209-V253 HydrophobicContact CG-CG2 3.64Å; L209-M256 HydrophobicContact CD2-SD 3.83Å; L209-W275 HydrophobicContact CD1-CH2 3.47Å; L209-W275 VanDerWaalsContact CD1-CH2 3.47Å; L209-W275 HydrophobicContact CD1-CZ2 4.49Å; L209-W275 HydrophobicContact CD1-CZ3 3.48Å; L209-W275 VanDerWaalsContact CD1-CZ3 3.48Å |
| 210 | F | 98.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 4.8 Ų | 4.8 | 1% | 0.013 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 174.9 | -169.4 | -75.4 | 0 | 0 | 0 | 111.8 | G206 V207 I208 L213 S214 C216 L217 P218 Y235 M237 W242 V253 L257 | G206-F210 WeakPolarHBondContact O-CB 3.48Å; G206-F210 PolarHBondContact O-N 2.91Å; V207-F210 PolarHBondContact O-N 2.94Å; I208-F210 VanDerWaalsContact C-N 3.3Å; I208-F210 PolarHBondContact O-N 3.4Å; F210-L213 PolarHBondContact O-N 3.4Å; F210-S214 WeakPolarHBondContact CE1-OG 3.5Å; F210-S214 WeakPolarHBondContact O-CB 3.44Å; F210-S214 PolarHBondContact O-N 2.8Å; F210-S214 VanDerWaalsContact O-N 3.13Å; F210-S214 PolarHBondContact O-OG 3.26Å; F210-C216 WeakPolarHBondContact CD1-O 3.46Å; F210-C216 HydrophobicContact CE1-CB 4.46Å; F210-L217 WeakPolarHBondContact CE1-O 2.95Å; F210-P218 HydrophobicContact CB-CB 4.43Å; F210-P218 HydrophobicContact CB-CG 4.33Å; F210-P218 HydrophobicContact CD1-CB 3.92Å; F210-P218 HydrophobicContact CD1-CG 4.25Å; F210-P218 HydrophobicContact CD2-CB 3.82Å; F210-P218 HydrophobicContact CE1-CB 4.1Å; F210-P218 HydrophobicContact CE2-CB 4.01Å; F210-P218 HydrophobicContact CG-CB 3.79Å; F210-P218 HydrophobicContact CG-CG 4.15Å; F210-P218 HydrophobicContact CZ-CB 4.14Å; F210-Y235 HydrophobicContact CD2-CD2 4.36Å; F210-Y235 AromaticContact CE2-CD2 3.79Å; F210-Y235 HydrophobicContact CE2-CD2 3.79Å; F210-Y235 HydrophobicContact CE2-CE2 4.43Å; F210-Y235 HydrophobicContact CE2-CG 4.47Å; F210-M237 HydrophobicContact CE2-CG 4.41Å; F210-W242 HydrophobicContact CD1-CZ2 4.03Å; F210-W242 AromaticContact CD2-CH2 3.79Å; F210-W242 HydrophobicContact CD2-CH2 3.79Å; F210-W242 AromaticContact CD2-CZ2 3.46Å; F210-W242 HydrophobicContact CD2-CZ2 3.46Å; F210-W242 VanDerWaalsContact CD2-CZ2 3.46Å; F210-W242 AromaticContact CE1-CZ2 3.95Å; F210-W242 HydrophobicContact CE1-CZ2 3.95Å; F210-W242 HydrophobicContact CE2-CH2 4.03Å; F210-W242 AromaticContact CE2-CZ2 3.36Å; F210-W242 HydrophobicContact CE2-CZ2 3.36Å; F210-W242 HydrophobicContact CG-CH2 4.23Å; F210-W242 AromaticContact CG-CZ2 3.79Å; F210-W242 HydrophobicContact CG-CZ2 3.79Å; F210-W242 AromaticContact CZ-CE2 4Å; F210-W242 AromaticContact CZ-CZ2 3.62Å; F210-W242 HydrophobicContact CZ-CZ2 3.62Å; F210-W242 AromaticContact CZ-NE1 3.92Å; F210-V253 HydrophobicContact CD2-CG1 3.93Å; F210-L257 HydrophobicContact CD2-CD1 4.48Å |
| 211 | I | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.005 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 174.8 | -64.6 | 160.6 | 0 | 0 | 0 | 110.8 | P144 F185 V207 I208 L209 L213 S214 G215 C216 L217 L295 F298 | P144-I211 HydrophobicContact CG-CD1 4.1Å; F185-I211 HydrophobicContact CE1-CD1 3.81Å; F185-I211 HydrophobicContact CZ-CD1 3.82Å; V207-I211 HydrophobicContact CG1-CD1 4.17Å; V207-I211 WeakPolarHBondContact O-CG1 3.4Å; V207-I211 PolarHBondContact O-N 3.37Å; I208-I211 WeakPolarHBondContact O-CB 3.43Å; I208-I211 PolarHBondContact O-N 3.12Å; I208-I211 VanDerWaalsContact O-N 3.15Å; L209-I211 PolarHBondContact O-N 3.06Å; I211-L213 VanDerWaalsContact C-N 3.26Å; I211-L213 PolarHBondContact O-N 2.87Å; I211-S214 PolarHBondContact O-N 3.06Å; I211-G215 VanDerWaalsContact O-CA 3.28Å; I211-G215 WeakPolarHBondContact O-CA 3.43Å; I211-G215 PolarHBondContact O-N 2.88Å; I211-C216 WeakPolarHBondContact CA-O 3.45Å; I211-C216 WeakPolarHBondContact CG1-O 3.43Å; I211-L217 HydrophobicContact CD1-CD2 3.87Å; I211-L217 HydrophobicContact CG1-CD2 4.2Å; I211-L295 HydrophobicContact CG2-CD2 3.72Å; I211-F298 HydrophobicContact CD1-CE1 4.48Å; I211-F298 HydrophobicContact CD1-CZ 3.95Å; I211-F298 HydrophobicContact CG2-CD1 4.2Å; I211-F298 HydrophobicContact CG2-CE1 3.89Å; I211-F298 HydrophobicContact CG2-CZ 4.31Å |
| 212 | L | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66 | -25.5 | -178.9 | -71 | -178.9 | 0 | 0 | 0 | 113.4 | L99 I103 Y113 A118 M122 I208 L209 | L99-L212 HydrophobicContact CD2-CD1 4.08Å; L99-L212 HydrophobicContact CD2-CD2 4.07Å; L99-L212 HydrophobicContact CG-CD2 4.32Å; I103-L212 HydrophobicContact CD1-CD2 3.44Å; I103-L212 VanDerWaalsContact CD1-CD2 3.44Å; Y113-L212 VanDerWaalsContact CE1-O 3.32Å; Y113-L212 WeakPolarHBondContact CE1-O 3.17Å; Y113-L212 PolarHBondContact OH-O 3.19Å; A118-L212 HydrophobicContact CB-CB 4.39Å; M122-L212 HydrophobicContact CG-CD1 3.77Å; M122-L212 HydrophobicContact SD-CD1 3.67Å; I208-L212 HydrophobicContact CG2-CD1 3.91Å; I208-L212 HydrophobicContact CG2-CG 4.1Å; I208-L212 WeakPolarHBondContact O-CG 3.3Å; I208-L212 PolarHBondContact O-N 3.05Å; L209-L212 PolarHBondContact O-N 3.16Å |
| 213 | L | 97.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -92.2 | -19.2 | 178.2 | -67.7 | 173 | 0 | 0 | 0 | 114.4 | E115 A118 L209 F210 I211 W242 I245 A249 V253 W275 T291 | E115-L213 HydrophobicContact CG-CD2 3.99Å; A118-L213 HydrophobicContact CB-CD2 4.31Å; L209-L213 HydrophobicContact CD1-CD1 3.74Å; L209-L213 HydrophobicContact CD1-CG 3.95Å; L209-L213 HydrophobicContact CG-CD1 3.94Å; L209-L213 HydrophobicContact CG-CG 4.5Å; L209-L213 WeakPolarHBondContact O-CB 3.48Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.5Å; L209-L213 PolarHBondContact O-N 3.36Å; F210-L213 PolarHBondContact O-N 3.4Å; I211-L213 VanDerWaalsContact C-N 3.26Å; I211-L213 PolarHBondContact O-N 2.87Å; L213-W242 HydrophobicContact CB-CH2 4.02Å; L213-W242 HydrophobicContact CB-CZ3 4.31Å; L213-W242 HydrophobicContact CD1-CH2 4.06Å; L213-W242 HydrophobicContact CD1-CZ3 4.04Å; L213-I245 HydrophobicContact CB-CD1 4.42Å; L213-I245 HydrophobicContact CD1-CG2 4.27Å; L213-I245 HydrophobicContact CD2-CD1 4.3Å; L213-I245 HydrophobicContact CD2-CG2 4.32Å; L213-I245 WeakPolarHBondContact O-CD1 3.29Å; L213-A249 HydrophobicContact CD1-CB 3.88Å; L213-A249 HydrophobicContact CD2-CB 4.36Å; L213-V253 HydrophobicContact CD1-CG2 3.81Å; L213-W275 HydrophobicContact CD2-CH2 4.22Å; L213-W275 HydrophobicContact CD2-CZ2 3.86Å; L213-T291 PolarHBondContact O-OG1 3.05Å |
| 214 | S | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -133.1 | -17.8 | -171.6 | 70 | 0 | 0 | 0 | 0 | 115.9 | F210 I211 C216 Q294 | F210-S214 WeakPolarHBondContact CE1-OG 3.5Å; F210-S214 WeakPolarHBondContact O-CB 3.44Å; F210-S214 PolarHBondContact O-N 2.8Å; F210-S214 VanDerWaalsContact O-N 3.13Å; F210-S214 PolarHBondContact O-OG 3.26Å; I211-S214 PolarHBondContact O-N 3.06Å; S214-C216 PolarHBondContact O-N 2.86Å; S214-C216 PolarHBondContact OG-N 2.85Å; S214-Q294 WeakPolarHBondContact O-CB 3.48Å |
| 215 | G | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 71.4 | 5.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I211 Q294 | I211-G215 VanDerWaalsContact O-CA 3.28Å; I211-G215 WeakPolarHBondContact O-CA 3.43Å; I211-G215 PolarHBondContact O-N 2.88Å; G215-Q294 CarbonylContact O-C 3.59Å |
| 216 | C | 89.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 18.6 Ų | 18.6 | 7% | 0.068 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -117 | 162.5 | -175.3 | -68.9 | 0 | 0 | 0 | 0 | 111.5 | F210 I211 S214 Y220 | F210-C216 WeakPolarHBondContact CD1-O 3.46Å; F210-C216 HydrophobicContact CE1-CB 4.46Å; I211-C216 WeakPolarHBondContact CA-O 3.45Å; I211-C216 WeakPolarHBondContact CG1-O 3.43Å; S214-C216 PolarHBondContact O-N 2.86Å; S214-C216 PolarHBondContact OG-N 2.85Å; C216-Y220 WeakPolarHBondContact CB-OH 3.48Å |
| 217 | L | 89.4 | Confident | 87.9 | Confident | 11 Ų | 11 | 20 Ų | 20 | 6% | 0.058 | 9% | 0.092 | C | C | . | . | trans | -82.5 | 149.2 | 168.8 | -73.6 | 165.1 | 0 | 0 | 0 | 110.5 | H184 F185 V207 F210 I211 F219 Y220 F298 | H184-L217 HydrophobicContact CB-CD2 4.38Å; F185-L217 HydrophobicContact CZ-CD2 4.32Å; V207-L217 HydrophobicContact CG1-CD2 4.38Å; F210-L217 WeakPolarHBondContact CE1-O 2.95Å; I211-L217 HydrophobicContact CD1-CD2 3.87Å; I211-L217 HydrophobicContact CG1-CD2 4.2Å; L217-F219 WeakPolarHBondContact CB-O 3.42Å; L217-Y220 HydrophobicContact CB-CD1 4.48Å; L217-Y220 HydrophobicContact CB-CE1 3.95Å; L217-Y220 HydrophobicContact CB-CE2 4.37Å; L217-Y220 HydrophobicContact CD1-CE1 4.39Å; L217-Y220 PolarHBondContact N-OH 2.89Å; L217-Y220 VanDerWaalsContact N-OH 3.08Å; L217-Y220 WeakPolarHBondContact O-CE2 3.46Å; L217-Y220 PolarHBondContact O-OH 2.85Å; L217-F298 HydrophobicContact CD1-CE2 4.36Å; L217-F298 HydrophobicContact CD2-CE2 4.22Å; L217-F298 HydrophobicContact CG-CE2 4.07Å | ||
| 218 | P | 91.5 | Very high | 87.4 | Confident | 7 Ų | 7 | 25 Ų | 25 | 5% | 0.045 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -73.8 | -32.6 | 172.3 | 25.8 | -29.8 | 0 | 0 | 0 | 112.7 | V207 F210 Y235 L257 | V207-P218 HydrophobicContact CB-CG 4.32Å; V207-P218 HydrophobicContact CG1-CG 3.9Å; V207-P218 HydrophobicContact CG2-CG 4.06Å; F210-P218 HydrophobicContact CB-CB 4.43Å; F210-P218 HydrophobicContact CB-CG 4.33Å; F210-P218 HydrophobicContact CD1-CB 3.92Å; F210-P218 HydrophobicContact CD1-CG 4.25Å; F210-P218 HydrophobicContact CD2-CB 3.82Å; F210-P218 HydrophobicContact CE1-CB 4.1Å; F210-P218 HydrophobicContact CE2-CB 4.01Å; F210-P218 HydrophobicContact CG-CB 3.79Å; F210-P218 HydrophobicContact CG-CG 4.15Å; F210-P218 HydrophobicContact CZ-CB 4.14Å; P218-Y235 HydrophobicContact CB-CG 4.22Å; P218-Y235 WeakPolarHBondContact O-CB 3.13Å; P218-L257 HydrophobicContact CB-CD1 4.22Å; P218-L257 HydrophobicContact CG-CD1 4.48Å |
| 219 | F | 88.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | trans | -122.7 | 141.9 | -178.9 | -48.2 | -72.8 | 0 | 0 | 0 | 109.8 | H184 W203 L217 L226 A229 I230 Y235 | H184-F219 PolarHBondContact CD2-O 3.36Å; W203-F219 HydrophobicContact CH2-CE2 4.06Å; W203-F219 AromaticContact CH2-CZ 3.71Å; W203-F219 HydrophobicContact CH2-CZ 3.71Å; W203-F219 HydrophobicContact CZ2-CD2 4.39Å; W203-F219 AromaticContact CZ2-CE2 3.36Å; W203-F219 HydrophobicContact CZ2-CE2 3.36Å; W203-F219 AromaticContact CZ2-CZ 3.49Å; W203-F219 HydrophobicContact CZ2-CZ 3.49Å; W203-F219 VanDerWaalsContact CZ2-CZ 3.49Å; L217-F219 WeakPolarHBondContact CB-O 3.42Å; F219-L226 HydrophobicContact CB-CD1 3.79Å; F219-A229 HydrophobicContact CD1-CB 4.38Å; F219-I230 HydrophobicContact CB-CG1 4.11Å; F219-I230 HydrophobicContact CD1-CG1 4.41Å; F219-I230 HydrophobicContact CD2-CG1 3.87Å; F219-I230 HydrophobicContact CE2-CG1 4.45Å; F219-I230 HydrophobicContact CG-CG1 3.86Å; F219-Y235 AromaticContact CE1-CD1 3.88Å; F219-Y235 HydrophobicContact CE1-CD1 3.88Å; F219-Y235 HydrophobicContact CE1-CG 4.48Å; F219-Y235 AromaticContact CZ-CD1 3.8Å; F219-Y235 HydrophobicContact CZ-CD1 3.8Å | ||
| 220 | Y | 79.2 | Confident | 86.5 | Confident | 48 Ų | 48 | 25.8 Ų | 25.8 | 19% | 0.188 | 12% | 0.123 | C | C | . | . | trans | -132.7 | 147.7 | 177.1 | -64.6 | -85.9 | 0 | 0 | 0 | 109.2 | C216 L217 A359 | C216-Y220 WeakPolarHBondContact CB-OH 3.48Å; L217-Y220 HydrophobicContact CB-CD1 4.48Å; L217-Y220 HydrophobicContact CB-CE1 3.95Å; L217-Y220 HydrophobicContact CB-CE2 4.37Å; L217-Y220 HydrophobicContact CD1-CE1 4.39Å; L217-Y220 PolarHBondContact N-OH 2.89Å; L217-Y220 VanDerWaalsContact N-OH 3.08Å; L217-Y220 WeakPolarHBondContact O-CE2 3.46Å; L217-Y220 PolarHBondContact O-OH 2.85Å; Y220-A359 HydrophobicContact CD1-CB 4.49Å; Y220-A359 HydrophobicContact CD2-CB 4.33Å; Y220-A359 HydrophobicContact CG-CB 4.04Å | ||
| 221 | G | 70.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | trans | 155.1 | 162.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L226 E356 | G221-L226 WeakPolarHBondContact O-CB 3.31Å; G221-E356 WeakPolarHBondContact CA-OE1 3.17Å | ||
| 222 | T | 68.8 | Low | 86.1 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 17% | 0.172 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -88.8 | 141 | 163.7 | 50.1 | 0 | 0 | 0 | 0 | 110.2 | E224 R225 L226 D352 S353 E356 | T222-E224 PolarHBondContact O-N 3.32Å; T222-R225 WeakPolarHBondContact O-CB 3.48Å; T222-R225 PolarHBondContact O-N 3.48Å; T222-L226 PolarHBondContact O-N 2.66Å; T222-D352 HydrophobicContact CG2-CB 3.93Å; T222-S353 WeakPolarHBondContact CG2-OG 3.39Å; T222-E356 HydrophobicContact CG2-CG 4.14Å; T222-E356 WeakPolarHBondContact CG2-OE2 3.36Å; T222-E356 PolarHBondContact N-OE1 2.79Å; T222-E356 PolarHBondContact OG1-OE1 2.92Å; T222-E356 PolarHBondContact OG1-OE2 2.84Å |
| 223 | K | 71.6 | Confident | 85.5 | Confident | 92 Ų | 92 | 34.1 Ų | 34.1 | 40% | 0.4 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | 31.6 | -104.1 | 171.8 | -65.8 | 175.1 | 176 | 173.3 | 0 | 114.7 | R225 L226 F227 | K223-R225 PolarHBondContact O-N 2.73Å; K223-L226 PolarHBondContact O-N 2.89Å; K223-F227 WeakPolarHBondContact O-CD2 3.33Å; K223-F227 VanDerWaalsContact O-CG 3.27Å; K223-F227 WeakPolarHBondContact O-CG 3.37Å; K223-F227 PolarHBondContact O-N 2.88Å; K223-F227 VanDerWaalsContact O-N 3.1Å |
| 224 | E | 77.5 | Confident | 84.7 | Confident | 126 Ų | 126 | 42.3 Ų | 42.3 | 59% | 0.589 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.6 | -41 | -175.6 | -68.5 | 64.3 | -136.3 | 0 | 0 | 112.5 | T222 L226 F227 E228 | T222-E224 PolarHBondContact O-N 3.32Å; E224-L226 PolarHBondContact O-N 2.84Å; E224-F227 PolarHBondContact O-N 2.79Å; E224-E228 PolarHBondContact O-N 3.41Å |
| 225 | R | 77.4 | Confident | 84.4 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | -178.9 | -168 | -168.7 | -166.8 | 169.7 | 6.5 | 112 | T222 K223 E228 A229 E356 V374 | T222-R225 WeakPolarHBondContact O-CB 3.48Å; T222-R225 PolarHBondContact O-N 3.48Å; K223-R225 PolarHBondContact O-N 2.73Å; R225-E228 PolarHBondContact O-N 3.31Å; R225-A229 WeakPolarHBondContact O-CB 3.47Å; R225-A229 PolarHBondContact O-N 3.27Å; R225-E356 WeakPolarHBondContact CD-OE1 3.42Å; R225-E356 IonicContact CZ-OE1 2.83Å; R225-E356 IonicContact NE-OE1 2.7Å; R225-E356 IonicContact NH1-OE1 3.36Å; R225-E356 PolarHBondContact NH1-OE1 3.26Å; R225-E356 IonicContact NH1-OE2 3.67Å; R225-V374 VanDerWaalsContact NH2-CG2 3.29Å |
| 226 | L | 83.1 | Confident | 83.9 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -46.1 | 174.2 | 175.9 | 61.4 | 0 | 0 | 0 | 110.9 | P183 H184 F219 G221 T222 K223 E224 E228 A229 I230 | P183-L226 HydrophobicContact CB-CD2 3.75Å; H184-L226 VanDerWaalsContact CD2-CD1 3.43Å; H184-L226 WeakPolarHBondContact CD2-CD1 3.38Å; F219-L226 HydrophobicContact CB-CD1 3.79Å; G221-L226 WeakPolarHBondContact O-CB 3.31Å; T222-L226 PolarHBondContact O-N 2.66Å; K223-L226 PolarHBondContact O-N 2.89Å; E224-L226 PolarHBondContact O-N 2.84Å; L226-E228 VanDerWaalsContact C-N 3.32Å; L226-E228 PolarHBondContact O-N 3Å; L226-A229 PolarHBondContact O-N 3.33Å; L226-A229 VanDerWaalsContact O-N 3.16Å; L226-I230 HydrophobicContact CD1-CD1 3.94Å; L226-I230 HydrophobicContact CD1-CG1 4.25Å; L226-I230 HydrophobicContact CG-CD1 3.88Å; L226-I230 WeakPolarHBondContact O-CG1 3.25Å; L226-I230 PolarHBondContact O-N 3.28Å |
| 227 | F | 88.9 | Confident | 83.8 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.6 | -66.2 | -31.5 | 0 | 0 | 0 | 112.2 | R179 P183 M186 V191 K223 E224 C231 | R179-F227 VanDerWaalsContact NH1-CE2 3.26Å; P183-F227 HydrophobicContact CB-CE1 4.13Å; M186-F227 HydrophobicContact SD-CE1 4.33Å; V191-F227 HydrophobicContact CB-CD1 4.32Å; V191-F227 HydrophobicContact CG1-CB 3.43Å; V191-F227 VanDerWaalsContact CG1-CB 3.43Å; V191-F227 HydrophobicContact CG1-CD1 3.58Å; V191-F227 HydrophobicContact CG1-CG 3.65Å; V191-F227 HydrophobicContact CG2-CD1 3.8Å; V191-F227 HydrophobicContact CG2-CE1 4.31Å; K223-F227 WeakPolarHBondContact O-CD2 3.33Å; K223-F227 VanDerWaalsContact O-CG 3.27Å; K223-F227 WeakPolarHBondContact O-CG 3.37Å; K223-F227 PolarHBondContact O-N 2.88Å; K223-F227 VanDerWaalsContact O-N 3.1Å; E224-F227 PolarHBondContact O-N 2.79Å; F227-C231 VanDerWaalsContact O-CB 3.32Å; F227-C231 WeakPolarHBondContact O-CB 3.48Å; F227-C231 PolarHBondContact O-N 2.77Å; F227-C231 PolarHBondContact O-SG 3.05Å |
| 228 | E | 87.1 | Confident | 83.4 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 49% | 0.486 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 170.8 | -78.7 | -166.9 | -159.4 | 0 | 0 | 112.8 | E224 R225 L226 I230 C231 K232 | E224-E228 PolarHBondContact O-N 3.41Å; R225-E228 PolarHBondContact O-N 3.31Å; L226-E228 VanDerWaalsContact C-N 3.32Å; L226-E228 PolarHBondContact O-N 3Å; E228-I230 VanDerWaalsContact C-N 3.35Å; E228-I230 PolarHBondContact O-N 3.23Å; E228-C231 PolarHBondContact O-N 2.69Å; E228-K232 HydrophobicContact CB-CD 4.44Å; E228-K232 VanDerWaalsContact O-CB 3.23Å; E228-K232 WeakPolarHBondContact O-CB 3.33Å; E228-K232 WeakPolarHBondContact O-CD 3.34Å; E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 2.74Å; E228-K232 IonicContact OE2-NZ 2.84Å; E228-K232 PolarHBondContact OE2-NZ 3.37Å |
| 229 | A | 86.1 | Confident | 82.7 | Confident | 22 Ų | 22 | 56 Ų | 56 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F219 R225 L226 K232 G233 | F219-A229 HydrophobicContact CD1-CB 4.38Å; R225-A229 WeakPolarHBondContact O-CB 3.47Å; R225-A229 PolarHBondContact O-N 3.27Å; L226-A229 PolarHBondContact O-N 3.33Å; L226-A229 VanDerWaalsContact O-N 3.16Å; A229-K232 PolarHBondContact O-N 2.82Å; A229-G233 PolarHBondContact O-N 3Å |
| 230 | I | 93.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -53.2 | 173.5 | -69.9 | 167.1 | 0 | 0 | 0 | 110.3 | P183 P188 V191 W203 F219 L226 E228 K232 G233 L259 | P183-I230 WeakPolarHBondContact O-CD1 3.29Å; P188-I230 HydrophobicContact CB-CG2 4.49Å; P188-I230 HydrophobicContact CG-CG2 4.12Å; V191-I230 HydrophobicContact CG2-CB 4.49Å; V191-I230 HydrophobicContact CG2-CD1 4.24Å; V191-I230 HydrophobicContact CG2-CG2 3.92Å; W203-I230 HydrophobicContact CZ2-CG2 3.93Å; F219-I230 HydrophobicContact CB-CG1 4.11Å; F219-I230 HydrophobicContact CD1-CG1 4.41Å; F219-I230 HydrophobicContact CD2-CG1 3.87Å; F219-I230 HydrophobicContact CE2-CG1 4.45Å; F219-I230 HydrophobicContact CG-CG1 3.86Å; L226-I230 HydrophobicContact CD1-CD1 3.94Å; L226-I230 HydrophobicContact CD1-CG1 4.25Å; L226-I230 HydrophobicContact CG-CD1 3.88Å; L226-I230 WeakPolarHBondContact O-CG1 3.25Å; L226-I230 PolarHBondContact O-N 3.28Å; E228-I230 VanDerWaalsContact C-N 3.35Å; E228-I230 PolarHBondContact O-N 3.23Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 3.08Å; I230-G233 PolarHBondContact O-N 3.22Å; I230-L259 WeakPolarHBondContact O-CD2 3.4Å |
| 231 | C | 93.6 | Very high | 82.6 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 28% | 0.277 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -29.5 | -179.8 | -73.5 | 0 | 0 | 0 | 0 | 113.7 | F227 E228 | F227-C231 VanDerWaalsContact O-CB 3.32Å; F227-C231 WeakPolarHBondContact O-CB 3.48Å; F227-C231 PolarHBondContact O-N 2.77Å; F227-C231 PolarHBondContact O-SG 3.05Å; E228-C231 PolarHBondContact O-N 2.69Å |
| 232 | K | 91.8 | Very high | 83.6 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -82 | -15.9 | 175.5 | -71.9 | 165.2 | 179.3 | 170.5 | 0 | 113 | E228 A229 I230 K234 | E228-K232 HydrophobicContact CB-CD 4.44Å; E228-K232 VanDerWaalsContact O-CB 3.23Å; E228-K232 WeakPolarHBondContact O-CB 3.33Å; E228-K232 WeakPolarHBondContact O-CD 3.34Å; E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 2.74Å; E228-K232 IonicContact OE2-NZ 2.84Å; E228-K232 PolarHBondContact OE2-NZ 3.37Å; A229-K232 PolarHBondContact O-N 2.82Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 3.08Å; K232-K234 HydrophobicContact CB-CG 4.45Å; K232-K234 PolarHBondContact O-N 2.85Å; K232-K234 VanDerWaalsContact O-N 3.16Å |
| 233 | G | 86.8 | Confident | 84.5 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 19% | 0.186 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 16.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | A229 I230 Y235 | A229-G233 PolarHBondContact O-N 3Å; I230-G233 PolarHBondContact O-N 3.22Å; G233-Y235 WeakPolarHBondContact O-CD1 3.12Å; G233-Y235 PolarHBondContact O-N 2.76Å |
| 234 | K | 79.8 | Confident | 85.2 | Confident | 173 Ų | 173 | 67.7 Ų | 67.7 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | trans | -92.4 | 94.5 | -174.8 | -70.8 | -171.9 | 178.8 | -175.6 | 0 | 111 | K232 | K232-K234 HydrophobicContact CB-CG 4.45Å; K232-K234 PolarHBondContact O-N 2.85Å; K232-K234 VanDerWaalsContact O-N 3.16Å | ||
| 235 | Y | 87 | Confident | 86 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | -111.5 | 158 | 170 | 56.1 | -95.1 | 0 | 0 | 0 | 111.4 | F210 P218 F219 G233 M237 V253 R254 L257 | F210-Y235 HydrophobicContact CD2-CD2 4.36Å; F210-Y235 AromaticContact CE2-CD2 3.79Å; F210-Y235 HydrophobicContact CE2-CD2 3.79Å; F210-Y235 HydrophobicContact CE2-CE2 4.43Å; F210-Y235 HydrophobicContact CE2-CG 4.47Å; P218-Y235 HydrophobicContact CB-CG 4.22Å; P218-Y235 WeakPolarHBondContact O-CB 3.13Å; F219-Y235 AromaticContact CE1-CD1 3.88Å; F219-Y235 HydrophobicContact CE1-CD1 3.88Å; F219-Y235 HydrophobicContact CE1-CG 4.48Å; F219-Y235 AromaticContact CZ-CD1 3.8Å; F219-Y235 HydrophobicContact CZ-CD1 3.8Å; G233-Y235 WeakPolarHBondContact O-CD1 3.12Å; G233-Y235 PolarHBondContact O-N 2.76Å; Y235-M237 HydrophobicContact CE2-CE 4.18Å; Y235-V253 HydrophobicContact CE2-CG1 4.46Å; Y235-R254 WeakPolarHBondContact OH-CA 3.25Å; Y235-L257 HydrophobicContact CD1-CD1 4.08Å; Y235-L257 HydrophobicContact CE1-CB 3.75Å; Y235-L257 HydrophobicContact CE1-CD1 3.81Å; Y235-L257 HydrophobicContact CE1-CG 4.45Å; Y235-L257 HydrophobicContact CE2-CD1 4.49Å | ||
| 236 | K | 81 | Confident | 86.8 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | trans | -115.9 | 123.4 | -175.1 | -68.1 | 178.7 | -179 | 175.2 | 0 | 112.3 | N238 D367 | K236-N238 PolarHBondContact O-N 2.87Å; K236-D367 WeakPolarHBondContact CE-OD1 3.11Å; K236-D367 IonicContact NZ-OD1 2.72Å; K236-D367 PolarHBondContact NZ-OD1 2.92Å; K236-D367 IonicContact NZ-OD2 1.88Å; K236-D367 PolarHBondContact NZ-OD2 2.98Å | ||
| 237 | M | 88.3 | Confident | 87.4 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 21% | 0.212 | 31% | 0.31 | C | S | . | . | trans | -86.3 | 82.4 | 169.2 | -70.7 | 175.6 | 167.8 | 0 | 0 | 109.4 | F210 Y235 W242 K250 V253 R254 | F210-M237 HydrophobicContact CE2-CG 4.41Å; Y235-M237 HydrophobicContact CE2-CE 4.18Å; M237-W242 VanDerWaalsContact C-CD1 3.46Å; M237-W242 VanDerWaalsContact CA-CD1 3.48Å; M237-W242 HydrophobicContact CB-CB 3.9Å; M237-W242 HydrophobicContact CB-CD2 3.77Å; M237-W242 HydrophobicContact CB-CE3 4.29Å; M237-W242 HydrophobicContact CB-CG 3.59Å; M237-W242 HydrophobicContact CE-CE3 4.09Å; M237-W242 HydrophobicContact CE-CH2 4.05Å; M237-W242 HydrophobicContact CE-CZ3 3.7Å; M237-W242 HydrophobicContact CG-CD2 3.67Å; M237-W242 HydrophobicContact CG-CE3 3.85Å; M237-W242 HydrophobicContact CG-CG 4.07Å; M237-W242 HydrophobicContact CG-CH2 4.48Å; M237-W242 HydrophobicContact CG-CZ2 4.33Å; M237-W242 HydrophobicContact CG-CZ3 4.25Å; M237-W242 HydrophobicContact SD-CD2 4.43Å; M237-W242 HydrophobicContact SD-CE3 4.02Å; M237-W242 HydrophobicContact SD-CZ3 4.26Å; M237-K250 HydrophobicContact CE-CB 3.86Å; M237-K250 HydrophobicContact CE-CG 3.93Å; M237-K250 HydrophobicContact SD-CB 4.12Å; M237-K250 HydrophobicContact SD-CD 4.07Å; M237-K250 HydrophobicContact SD-CG 3.85Å; M237-V253 HydrophobicContact CE-CB 4.14Å; M237-V253 HydrophobicContact CE-CG1 3.79Å; M237-R254 HydrophobicContact CE-CG 4.45Å | ||
| 238 | N | 80.8 | Confident | 87.8 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | trans | -57 | 125.5 | -177.5 | -178 | -26.4 | 0 | 0 | 0 | 111.3 | K236 R240 Q241 W242 | K236-N238 PolarHBondContact O-N 2.87Å; N238-R240 PolarHBondContact O-N 2.87Å; N238-R240 VanDerWaalsContact O-N 3.07Å; N238-R240 PolarHBondContact OD1-N 2.86Å; N238-Q241 PolarHBondContact O-N 3.02Å; N238-Q241 PolarHBondContact O-OE1 2.88Å; N238-W242 VanDerWaalsContact N-CD1 3.34Å; N238-W242 WeakPolarHBondContact O-CB 3.32Å; N238-W242 VanDerWaalsContact O-CD1 3.3Å; N238-W242 PolarHBondContact O-N 2.69Å | ||
| 239 | P | 76.9 | Confident | 88.3 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -51.4 | -32.7 | -178.8 | -30.9 | 36.9 | 0 | 0 | 0 | 115.1 | Q241 N243 | P239-Q241 VanDerWaalsContact C-N 3.28Å; P239-Q241 PolarHBondContact O-N 2.97Å; P239-N243 WeakPolarHBondContact CB-OD1 3.35Å; P239-N243 WeakPolarHBondContact O-CB 3.08Å; P239-N243 PolarHBondContact O-N 3.11Å; P239-N243 PolarHBondContact O-ND2 3.12Å; P239-N243 PolarHBondContact O-OD1 3.34Å |
| 240 | R | 80.3 | Confident | 88.9 | Confident | 175 Ų | 175 | 59 Ų | 59 | 66% | 0.66 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55.5 | -41.5 | -179.3 | -75.6 | -178.3 | 171 | 168.8 | -2.9 | 112.8 | N238 | N238-R240 PolarHBondContact O-N 2.87Å; N238-R240 VanDerWaalsContact O-N 3.07Å; N238-R240 PolarHBondContact OD1-N 2.86Å |
| 241 | Q | 85.1 | Confident | 89.1 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -97.4 | -42.6 | 177.5 | -57.6 | 82.8 | -2.9 | 0 | 0 | 111.2 | N238 P239 N243 E290 Q294 | N238-Q241 PolarHBondContact O-N 3.02Å; N238-Q241 PolarHBondContact O-OE1 2.88Å; P239-Q241 VanDerWaalsContact C-N 3.28Å; P239-Q241 PolarHBondContact O-N 2.97Å; Q241-N243 PolarHBondContact O-N 2.82Å; Q241-E290 HydrophobicContact CG-CB 4.44Å; Q241-Q294 HydrophobicContact CG-CG 4.48Å |
| 242 | W | 91.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -85.5 | -7.8 | -166.9 | -68.8 | 85.5 | 0 | 0 | 0 | 115.1 | F210 L213 M237 N238 H244 I245 K250 V253 | F210-W242 HydrophobicContact CD1-CZ2 4.03Å; F210-W242 AromaticContact CD2-CH2 3.79Å; F210-W242 HydrophobicContact CD2-CH2 3.79Å; F210-W242 AromaticContact CD2-CZ2 3.46Å; F210-W242 HydrophobicContact CD2-CZ2 3.46Å; F210-W242 VanDerWaalsContact CD2-CZ2 3.46Å; F210-W242 AromaticContact CE1-CZ2 3.95Å; F210-W242 HydrophobicContact CE1-CZ2 3.95Å; F210-W242 HydrophobicContact CE2-CH2 4.03Å; F210-W242 AromaticContact CE2-CZ2 3.36Å; F210-W242 HydrophobicContact CE2-CZ2 3.36Å; F210-W242 HydrophobicContact CG-CH2 4.23Å; F210-W242 AromaticContact CG-CZ2 3.79Å; F210-W242 HydrophobicContact CG-CZ2 3.79Å; F210-W242 AromaticContact CZ-CE2 4Å; F210-W242 AromaticContact CZ-CZ2 3.62Å; F210-W242 HydrophobicContact CZ-CZ2 3.62Å; F210-W242 AromaticContact CZ-NE1 3.92Å; L213-W242 HydrophobicContact CB-CH2 4.02Å; L213-W242 HydrophobicContact CB-CZ3 4.31Å; L213-W242 HydrophobicContact CD1-CH2 4.06Å; L213-W242 HydrophobicContact CD1-CZ3 4.04Å; M237-W242 VanDerWaalsContact C-CD1 3.46Å; M237-W242 VanDerWaalsContact CA-CD1 3.48Å; M237-W242 HydrophobicContact CB-CB 3.9Å; M237-W242 HydrophobicContact CB-CD2 3.77Å; M237-W242 HydrophobicContact CB-CE3 4.29Å; M237-W242 HydrophobicContact CB-CG 3.59Å; M237-W242 HydrophobicContact CE-CE3 4.09Å; M237-W242 HydrophobicContact CE-CH2 4.05Å; M237-W242 HydrophobicContact CE-CZ3 3.7Å; M237-W242 HydrophobicContact CG-CD2 3.67Å; M237-W242 HydrophobicContact CG-CE3 3.85Å; M237-W242 HydrophobicContact CG-CG 4.07Å; M237-W242 HydrophobicContact CG-CH2 4.48Å; M237-W242 HydrophobicContact CG-CZ2 4.33Å; M237-W242 HydrophobicContact CG-CZ3 4.25Å; M237-W242 HydrophobicContact SD-CD2 4.43Å; M237-W242 HydrophobicContact SD-CE3 4.02Å; M237-W242 HydrophobicContact SD-CZ3 4.26Å; N238-W242 VanDerWaalsContact N-CD1 3.34Å; N238-W242 WeakPolarHBondContact O-CB 3.32Å; N238-W242 VanDerWaalsContact O-CD1 3.3Å; N238-W242 PolarHBondContact O-N 2.69Å; W242-H244 VanDerWaalsContact C-N 3.28Å; W242-H244 PolarHBondContact O-N 3.36Å; W242-I245 HydrophobicContact CE3-CB 4.09Å; W242-I245 HydrophobicContact CE3-CG1 4.24Å; W242-I245 HydrophobicContact CE3-CG2 3.95Å; W242-I245 HydrophobicContact CZ3-CG2 4.05Å; W242-I245 PolarHBondContact O-N 2.99Å; W242-K250 HydrophobicContact CE3-CD 4.36Å; W242-K250 HydrophobicContact CE3-CG 3.75Å; W242-K250 HydrophobicContact CZ3-CG 3.86Å; W242-K250 WeakPolarHBondContact O-CE 3.31Å; W242-K250 PolarHBondContact O-NZ 3.48Å; W242-V253 HydrophobicContact CH2-CG1 4.45Å; W242-V253 HydrophobicContact CH2-CG2 4.17Å; W242-V253 HydrophobicContact CZ3-CG2 4.47Å |
| 243 | N | 87.2 | Confident | 89.6 | Confident | 114 Ų | 114 | 53.7 Ų | 53.7 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.9 | 173.7 | -80.9 | -8.6 | 0 | 0 | 0 | 112.8 | P239 Q241 | P239-N243 WeakPolarHBondContact CB-OD1 3.35Å; P239-N243 WeakPolarHBondContact O-CB 3.08Å; P239-N243 PolarHBondContact O-N 3.11Å; P239-N243 PolarHBondContact O-ND2 3.12Å; P239-N243 PolarHBondContact O-OD1 3.34Å; Q241-N243 PolarHBondContact O-N 2.82Å |
| 244 | H | 85 | Confident | 90.2 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -92.1 | -5.1 | -177.8 | -60.2 | -56 | 0 | 0 | 0 | 113.6 | W242 | W242-H244 VanDerWaalsContact C-N 3.28Å; W242-H244 PolarHBondContact O-N 3.36Å |
| 245 | I | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -86.7 | 133.9 | 178 | -56.2 | -57.5 | 0 | 0 | 0 | 110.3 | E115 L213 W242 A249 K250 L288 | E115-I245 HydrophobicContact CG-CD1 4.15Å; E115-I245 WeakPolarHBondContact OE1-CA 3.45Å; L213-I245 HydrophobicContact CB-CD1 4.42Å; L213-I245 HydrophobicContact CD1-CG2 4.27Å; L213-I245 HydrophobicContact CD2-CD1 4.3Å; L213-I245 HydrophobicContact CD2-CG2 4.32Å; L213-I245 WeakPolarHBondContact O-CD1 3.29Å; W242-I245 HydrophobicContact CE3-CB 4.09Å; W242-I245 HydrophobicContact CE3-CG1 4.24Å; W242-I245 HydrophobicContact CE3-CG2 3.95Å; W242-I245 HydrophobicContact CZ3-CG2 4.05Å; W242-I245 PolarHBondContact O-N 2.99Å; I245-A249 HydrophobicContact CG2-CB 3.69Å; I245-K250 HydrophobicContact CG2-CG 4.2Å; I245-K250 WeakPolarHBondContact O-CE 3.21Å; I245-K250 PolarHBondContact O-NZ 2.9Å; I245-L288 HydrophobicContact CD1-CD1 3.76Å; I245-L288 HydrophobicContact CD1-CD2 3.76Å; I245-L288 HydrophobicContact CD1-CG 4.43Å |
| 246 | S | 95.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | trans | -61 | 147.7 | 179.1 | 74.1 | 0 | 0 | 0 | 0 | 113 | E115 S248 A249 K250 Y282 | E115-S246 PolarHBondContact OE1-N 3.41Å; E115-S246 WeakPolarHBondContact OE2-CB 3.47Å; E115-S246 PolarHBondContact OE2-OG 3.07Å; S246-S248 PolarHBondContact O-N 3Å; S246-A249 PolarHBondContact O-N 2.79Å; S246-A249 WeakPolarHBondContact OG-CB 3.33Å; S246-A249 PolarHBondContact OG-N 3.43Å; S246-A249 VanDerWaalsContact OG-N 3.09Å; S246-K250 WeakPolarHBondContact O-CG 3.42Å; S246-K250 PolarHBondContact O-N 3.49Å; S246-K250 VanDerWaalsContact O-N 3.14Å; S246-Y282 PolarHBondContact OG-O 2.85Å | ||
| 247 | E | 95.3 | Very high | 92.4 | Very high | 107 Ų | 107 | 47.3 Ų | 47.3 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.4 | -21.7 | 172.3 | -74.6 | -52 | 130 | 0 | 0 | 112.6 | K250 D251 R254 | E247-K250 PolarHBondContact O-N 3.14Å; E247-K250 WeakPolarHBondContact OE1-CD 3.48Å; E247-K250 IonicContact OE1-NZ 2.72Å; E247-K250 PolarHBondContact OE1-NZ 3.44Å; E247-D251 WeakPolarHBondContact O-CB 3.28Å; E247-D251 PolarHBondContact O-N 3.22Å; E247-R254 IonicContact OE2-CZ 2.8Å; E247-R254 IonicContact OE2-NH1 2.78Å; E247-R254 PolarHBondContact OE2-NH1 2.77Å; E247-R254 IonicContact OE2-NH2 3.74Å; E247-R254 PolarHBondContact OE2-NH2 2.72Å |
| 248 | S | 97.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | 174.6 | -158.5 | 0 | 0 | 0 | 0 | 111.4 | S246 D251 L252 H273 | S246-S248 PolarHBondContact O-N 3Å; S248-D251 PolarHBondContact O-N 2.99Å; S248-L252 PolarHBondContact O-N 3.14Å; S248-L252 VanDerWaalsContact O-N 3.14Å; S248-H273 VanDerWaalsContact CA-CE1 3.42Å; S248-H273 WeakPolarHBondContact CA-CE1 3.36Å; S248-H273 PolarHBondContact O-CE1 3.12Å; S248-H273 PolarHBondContact OG-CE1 2.97Å |
| 249 | A | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L213 I245 S246 D251 L252 V253 W275 | L213-A249 HydrophobicContact CD1-CB 3.88Å; L213-A249 HydrophobicContact CD2-CB 4.36Å; I245-A249 HydrophobicContact CG2-CB 3.69Å; S246-A249 PolarHBondContact O-N 2.79Å; S246-A249 WeakPolarHBondContact OG-CB 3.33Å; S246-A249 PolarHBondContact OG-N 3.43Å; S246-A249 VanDerWaalsContact OG-N 3.09Å; A249-D251 PolarHBondContact O-N 3.27Å; A249-L252 PolarHBondContact O-N 3.02Å; A249-V253 WeakPolarHBondContact O-CG2 3.45Å; A249-V253 PolarHBondContact O-N 3.36Å; A249-W275 HydrophobicContact CB-CD2 4.19Å; A249-W275 HydrophobicContact CB-CG 4.27Å; A249-W275 HydrophobicContact CB-CZ2 4.17Å |
| 250 | K | 97.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 8% | 0.078 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 179.2 | -65 | 169.5 | -164.4 | 160.1 | 0 | 112.5 | M237 W242 I245 S246 E247 V253 R254 | M237-K250 HydrophobicContact CE-CB 3.86Å; M237-K250 HydrophobicContact CE-CG 3.93Å; M237-K250 HydrophobicContact SD-CB 4.12Å; M237-K250 HydrophobicContact SD-CD 4.07Å; M237-K250 HydrophobicContact SD-CG 3.85Å; W242-K250 HydrophobicContact CE3-CD 4.36Å; W242-K250 HydrophobicContact CE3-CG 3.75Å; W242-K250 HydrophobicContact CZ3-CG 3.86Å; W242-K250 WeakPolarHBondContact O-CE 3.31Å; W242-K250 PolarHBondContact O-NZ 3.48Å; I245-K250 HydrophobicContact CG2-CG 4.2Å; I245-K250 WeakPolarHBondContact O-CE 3.21Å; I245-K250 PolarHBondContact O-NZ 2.9Å; S246-K250 WeakPolarHBondContact O-CG 3.42Å; S246-K250 PolarHBondContact O-N 3.49Å; S246-K250 VanDerWaalsContact O-N 3.14Å; E247-K250 PolarHBondContact O-N 3.14Å; E247-K250 WeakPolarHBondContact OE1-CD 3.48Å; E247-K250 IonicContact OE1-NZ 2.72Å; E247-K250 PolarHBondContact OE1-NZ 3.44Å; K250-V253 PolarHBondContact O-N 3.29Å; K250-R254 WeakPolarHBondContact O-CB 3.47Å; K250-R254 WeakPolarHBondContact O-CD 3.42Å; K250-R254 WeakPolarHBondContact O-CG 3.22Å; K250-R254 PolarHBondContact O-N 3.09Å |
| 251 | D | 98.1 | Very high | 95.4 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 173.7 | -177 | 56.5 | 0 | 0 | 0 | 111.2 | E247 S248 A249 V253 R254 R255 H273 | E247-D251 WeakPolarHBondContact O-CB 3.28Å; E247-D251 PolarHBondContact O-N 3.22Å; S248-D251 PolarHBondContact O-N 2.99Å; A249-D251 PolarHBondContact O-N 3.27Å; D251-V253 PolarHBondContact O-N 2.92Å; D251-R254 PolarHBondContact O-N 2.83Å; D251-R255 VanDerWaalsContact CG-NE 3.35Å; D251-R255 WeakPolarHBondContact O-CG 3.37Å; D251-R255 PolarHBondContact O-N 2.72Å; D251-R255 IonicContact OD1-CZ 3.76Å; D251-R255 IonicContact OD1-NE 2.81Å; D251-R255 PolarHBondContact OD1-NE 3.21Å; D251-R255 IonicContact OD1-NH2 3.29Å; D251-R255 IonicContact OD2-CZ 2.71Å; D251-R255 VanDerWaalsContact OD2-CZ 3.27Å; D251-R255 IonicContact OD2-NE 2.74Å; D251-R255 PolarHBondContact OD2-NE 3.21Å; D251-R255 IonicContact OD2-NH2 3.61Å; D251-R255 PolarHBondContact OD2-NH2 2.86Å; D251-H273 WeakPolarHBondContact CB-NE2 3.35Å; D251-H273 IonicContact OD1-NE2 2.65Å; D251-H273 IonicContact OD2-CD2 3.52Å; D251-H273 IonicContact OD2-CE1 3.44Å; D251-H273 IonicContact OD2-NE2 3.64Å; D251-H273 PolarHBondContact OD2-NE2 3.07Å |
| 252 | L | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.8 | -177.2 | 58.9 | 0 | 0 | 0 | 111.8 | L209 S248 A249 R254 R255 M256 I265 A270 H273 W275 L276 | L209-L252 HydrophobicContact CD2-CB 4.3Å; L209-L252 HydrophobicContact CD2-CD2 3.88Å; L209-L252 HydrophobicContact CD2-CG 3.83Å; S248-L252 PolarHBondContact O-N 3.14Å; S248-L252 VanDerWaalsContact O-N 3.14Å; A249-L252 PolarHBondContact O-N 3.02Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 2.86Å; L252-R255 PolarHBondContact O-N 3.22Å; L252-M256 HydrophobicContact CD1-CG 4.02Å; L252-M256 HydrophobicContact CD1-SD 3.87Å; L252-M256 HydrophobicContact CD2-SD 4.36Å; L252-M256 HydrophobicContact CG-CG 4.36Å; L252-M256 HydrophobicContact CG-SD 3.77Å; L252-M256 VanDerWaalsContact O-CG 3.29Å; L252-M256 WeakPolarHBondContact O-CG 3.17Å; L252-M256 PolarHBondContact O-N 2.86Å; L252-I265 HydrophobicContact CD1-CD1 4.16Å; L252-A270 HydrophobicContact CD1-CB 4.2Å; L252-H273 HydrophobicContact CD1-CB 3.99Å; L252-W275 HydrophobicContact CD2-CE3 3.68Å; L252-W275 HydrophobicContact CD2-CZ3 4.25Å; L252-L276 HydrophobicContact CD2-CD1 3.95Å; L252-L276 HydrophobicContact CD2-CG 3.93Å |
| 253 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.1 | -47.8 | 173.9 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | L209 F210 L213 Y235 M237 W242 A249 K250 D251 R255 M256 L257 | L209-V253 HydrophobicContact CB-CG2 4.49Å; L209-V253 HydrophobicContact CD2-CG2 3.55Å; L209-V253 HydrophobicContact CG-CG2 3.64Å; F210-V253 HydrophobicContact CD2-CG1 3.93Å; L213-V253 HydrophobicContact CD1-CG2 3.81Å; Y235-V253 HydrophobicContact CE2-CG1 4.46Å; M237-V253 HydrophobicContact CE-CB 4.14Å; M237-V253 HydrophobicContact CE-CG1 3.79Å; W242-V253 HydrophobicContact CH2-CG1 4.45Å; W242-V253 HydrophobicContact CH2-CG2 4.17Å; W242-V253 HydrophobicContact CZ3-CG2 4.47Å; A249-V253 WeakPolarHBondContact O-CG2 3.45Å; A249-V253 PolarHBondContact O-N 3.36Å; K250-V253 PolarHBondContact O-N 3.29Å; D251-V253 PolarHBondContact O-N 2.92Å; V253-R255 VanDerWaalsContact C-N 3.34Å; V253-R255 PolarHBondContact O-N 2.92Å; V253-M256 PolarHBondContact O-N 2.82Å; V253-L257 HydrophobicContact CG1-CD1 3.98Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 PolarHBondContact O-N 2.86Å |
| 254 | R | 98.1 | Very high | 96.7 | Very high | 97 Ų | 97 | 49.7 Ų | 49.7 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | -179.9 | -70.3 | 164.9 | -165.2 | 135.5 | -2.1 | 112.4 | Y235 M237 E247 K250 D251 L252 L257 M258 | Y235-R254 WeakPolarHBondContact OH-CA 3.25Å; M237-R254 HydrophobicContact CE-CG 4.45Å; E247-R254 IonicContact OE2-CZ 2.8Å; E247-R254 IonicContact OE2-NH1 2.78Å; E247-R254 PolarHBondContact OE2-NH1 2.77Å; E247-R254 IonicContact OE2-NH2 3.74Å; E247-R254 PolarHBondContact OE2-NH2 2.72Å; K250-R254 WeakPolarHBondContact O-CB 3.47Å; K250-R254 WeakPolarHBondContact O-CD 3.42Å; K250-R254 WeakPolarHBondContact O-CG 3.22Å; K250-R254 PolarHBondContact O-N 3.09Å; D251-R254 PolarHBondContact O-N 2.83Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 2.86Å; R254-L257 CarbonylContact O-C 3.43Å; R254-M258 PolarHBondContact O-N 3.13Å |
| 255 | R | 98.4 | Very high | 97.4 | Very high | 117 Ų | 117 | 45.1 Ų | 45.1 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -73.3 | -35 | 178.7 | -67.3 | 179.4 | -165.2 | -128 | 8.2 | 113.5 | D251 L252 V253 M258 I265 H273 | D251-R255 VanDerWaalsContact CG-NE 3.35Å; D251-R255 WeakPolarHBondContact O-CG 3.37Å; D251-R255 PolarHBondContact O-N 2.72Å; D251-R255 IonicContact OD1-CZ 3.76Å; D251-R255 IonicContact OD1-NE 2.81Å; D251-R255 PolarHBondContact OD1-NE 3.21Å; D251-R255 IonicContact OD1-NH2 3.29Å; D251-R255 IonicContact OD2-CZ 2.71Å; D251-R255 VanDerWaalsContact OD2-CZ 3.27Å; D251-R255 IonicContact OD2-NE 2.74Å; D251-R255 PolarHBondContact OD2-NE 3.21Å; D251-R255 IonicContact OD2-NH2 3.61Å; D251-R255 PolarHBondContact OD2-NH2 2.86Å; L252-R255 PolarHBondContact O-N 3.22Å; V253-R255 VanDerWaalsContact C-N 3.34Å; V253-R255 PolarHBondContact O-N 2.92Å; R255-M258 WeakPolarHBondContact O-CB 3.42Å; R255-I265 HydrophobicContact CB-CB 3.95Å; R255-I265 HydrophobicContact CB-CD1 4.29Å; R255-I265 HydrophobicContact CB-CG2 3.84Å; R255-I265 WeakPolarHBondContact O-CG2 3.2Å; R255-I265 PolarHBondContact O-N 3.15Å; R255-H273 PolarHBondContact NE-NE2 2.75Å |
| 256 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74 | -33.3 | 175.8 | -65.7 | 176.4 | 83.8 | 0 | 0 | 112 | M122 L126 V202 C205 L209 L252 V253 M258 R264 I265 | M122-M256 HydrophobicContact CE-CE 4.4Å; L126-M256 HydrophobicContact CD1-CE 4.39Å; L126-M256 HydrophobicContact CD2-CE 3.97Å; V202-M256 HydrophobicContact CG1-CB 4.36Å; V202-M256 HydrophobicContact CG1-CE 3.89Å; V202-M256 HydrophobicContact CG1-CG 4.07Å; C205-M256 HydrophobicContact CB-CE 3.42Å; C205-M256 VanDerWaalsContact CB-CE 3.42Å; L209-M256 HydrophobicContact CD2-SD 3.83Å; L252-M256 HydrophobicContact CD1-CG 4.02Å; L252-M256 HydrophobicContact CD1-SD 3.87Å; L252-M256 HydrophobicContact CD2-SD 4.36Å; L252-M256 HydrophobicContact CG-CG 4.36Å; L252-M256 HydrophobicContact CG-SD 3.77Å; L252-M256 VanDerWaalsContact O-CG 3.29Å; L252-M256 WeakPolarHBondContact O-CG 3.17Å; L252-M256 PolarHBondContact O-N 2.86Å; V253-M256 PolarHBondContact O-N 2.82Å; M256-M258 VanDerWaalsContact C-N 3.3Å; M256-M258 PolarHBondContact O-N 3.32Å; M256-R264 WeakPolarHBondContact O-CD 3.33Å; M256-I265 HydrophobicContact CB-CG2 4.32Å; M256-I265 HydrophobicContact CG-CG2 3.62Å |
| 257 | L | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 30.5 | 174 | -60.3 | 179.8 | 0 | 0 | 0 | 112.7 | W203 V207 F210 P218 Y235 V253 R254 | W203-L257 HydrophobicContact CD2-CD2 3.9Å; W203-L257 HydrophobicContact CE3-CB 4.46Å; W203-L257 HydrophobicContact CE3-CD2 4.09Å; W203-L257 HydrophobicContact CG-CD2 4.38Å; W203-L257 HydrophobicContact CZ2-CD2 4.34Å; W203-L257 HydrophobicContact CZ3-CB 4.22Å; W203-L257 HydrophobicContact CZ3-CD2 4.39Å; W203-L257 WeakPolarHBondContact CZ3-O 3.39Å; V207-L257 HydrophobicContact CG2-CD2 3.89Å; F210-L257 HydrophobicContact CD2-CD1 4.48Å; P218-L257 HydrophobicContact CB-CD1 4.22Å; P218-L257 HydrophobicContact CG-CD1 4.48Å; Y235-L257 HydrophobicContact CD1-CD1 4.08Å; Y235-L257 HydrophobicContact CE1-CB 3.75Å; Y235-L257 HydrophobicContact CE1-CD1 3.81Å; Y235-L257 HydrophobicContact CE1-CG 4.45Å; Y235-L257 HydrophobicContact CE2-CD1 4.49Å; V253-L257 HydrophobicContact CG1-CD1 3.98Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 PolarHBondContact O-N 2.86Å; R254-L257 CarbonylContact O-C 3.43Å |
| 258 | M | 97.8 | Very high | 97.8 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | trans | -70.3 | 133.3 | 171.5 | -176.6 | 57.2 | 73.6 | 0 | 0 | 110.1 | R254 R255 M256 E263 R264 | R254-M258 PolarHBondContact O-N 3.13Å; R255-M258 WeakPolarHBondContact O-CB 3.42Å; M256-M258 VanDerWaalsContact C-N 3.3Å; M256-M258 PolarHBondContact O-N 3.32Å; M258-E263 HydrophobicContact CG-CB 3.96Å; M258-R264 HydrophobicContact CB-CB 3.98Å; M258-R264 HydrophobicContact CB-CG 4.12Å; M258-R264 PolarHBondContact O-NE 3.43Å; M258-R264 PolarHBondContact O-NH2 3.42Å | ||
| 259 | L | 96.8 | Very high | 97.9 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -66.8 | -48 | -176.4 | -76.9 | 179.2 | 0 | 0 | 0 | 112.5 | P188 W203 I230 P261 R264 | P188-L259 HydrophobicContact CB-CD2 4.23Å; P188-L259 HydrophobicContact CG-CD2 3.52Å; W203-L259 HydrophobicContact CH2-CD2 4.12Å; W203-L259 HydrophobicContact CZ3-CD2 4.3Å; I230-L259 WeakPolarHBondContact O-CD2 3.4Å; L259-P261 WeakPolarHBondContact O-CD 3.4Å; L259-R264 PolarHBondContact O-NH2 3.03Å; L259-R264 VanDerWaalsContact O-NH2 3.12Å |
| 260 | D | 96.8 | Very high | 97.9 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -73.3 | 120 | 177.5 | -169 | -32.8 | 0 | 0 | 0 | 109.7 | A262 E263 R264 | D260-A262 PolarHBondContact O-N 3.47Å; D260-A262 WeakPolarHBondContact OD1-CB 3.23Å; D260-A262 PolarHBondContact OD1-N 3.33Å; D260-E263 HydrophobicContact CB-CB 4.22Å; D260-E263 HydrophobicContact CB-CG 4.3Å; D260-E263 PolarHBondContact O-N 3.01Å; D260-R264 WeakPolarHBondContact O-CB 3.36Å; D260-R264 PolarHBondContact O-N 2.89Å |
| 261 | P | 96.6 | Very high | 98 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.6 | 179 | 28.4 | -35.4 | 0 | 0 | 0 | 114.1 | P199 L259 | P199-P261 HydrophobicContact CB-CB 3.91Å; P199-P261 HydrophobicContact CG-CB 4.25Å; L259-P261 WeakPolarHBondContact O-CD 3.4Å |
| 262 | A | 96.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 53 Ų | 53 | 69% | 0.686 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -34.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D260 | D260-A262 PolarHBondContact O-N 3.47Å; D260-A262 WeakPolarHBondContact OD1-CB 3.23Å; D260-A262 PolarHBondContact OD1-N 3.33Å |
| 263 | E | 97.4 | Very high | 97.9 | Very high | 145 Ų | 145 | 53.6 Ų | 53.6 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -6.7 | 176.1 | -61.6 | -65.6 | 135.6 | 0 | 0 | 112.7 | M258 D260 | M258-E263 HydrophobicContact CG-CB 3.96Å; D260-E263 HydrophobicContact CB-CB 4.22Å; D260-E263 HydrophobicContact CB-CG 4.3Å; D260-E263 PolarHBondContact O-N 3.01Å |
| 264 | R | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 2% | 0.023 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -72.5 | 129.6 | 177.8 | -166.8 | -178.7 | -56.3 | 143.6 | 8.9 | 110.1 | E189 P199 M256 M258 L259 D260 T266 | E189-R264 IonicContact OE1-CZ 3.8Å; E189-R264 IonicContact OE1-NH1 3.66Å; E189-R264 PolarHBondContact OE1-NH1 3.19Å; E189-R264 IonicContact OE1-NH2 3.05Å; E189-R264 PolarHBondContact OE1-NH2 2.92Å; E189-R264 IonicContact OE2-CZ 3.36Å; E189-R264 IonicContact OE2-NH1 3.76Å; E189-R264 IonicContact OE2-NH2 2.73Å; E189-R264 PolarHBondContact OE2-NH2 3.17Å; P199-R264 VanDerWaalsContact C-NH1 3.33Å; P199-R264 WeakPolarHBondContact O-CD 3.42Å; P199-R264 PolarHBondContact O-NH1 3.1Å; M256-R264 WeakPolarHBondContact O-CD 3.33Å; M258-R264 HydrophobicContact CB-CB 3.98Å; M258-R264 HydrophobicContact CB-CG 4.12Å; M258-R264 PolarHBondContact O-NE 3.43Å; M258-R264 PolarHBondContact O-NH2 3.42Å; L259-R264 PolarHBondContact O-NH2 3.03Å; L259-R264 VanDerWaalsContact O-NH2 3.12Å; D260-R264 WeakPolarHBondContact O-CB 3.36Å; D260-R264 PolarHBondContact O-N 2.89Å; R264-T266 PolarHBondContact O-N 3.06Å |
| 265 | I | 98.6 | Very high | 97.8 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 134 | -179.8 | -165.8 | 171 | 0 | 0 | 0 | 111.1 | V202 L252 R255 M256 E269 A270 | V202-I265 HydrophobicContact CG1-CG2 4.28Å; V202-I265 WeakPolarHBondContact CG1-O 3.29Å; L252-I265 HydrophobicContact CD1-CD1 4.16Å; R255-I265 HydrophobicContact CB-CB 3.95Å; R255-I265 HydrophobicContact CB-CD1 4.29Å; R255-I265 HydrophobicContact CB-CG2 3.84Å; R255-I265 WeakPolarHBondContact O-CG2 3.2Å; R255-I265 PolarHBondContact O-N 3.15Å; M256-I265 HydrophobicContact CB-CG2 4.32Å; M256-I265 HydrophobicContact CG-CG2 3.62Å; I265-E269 HydrophobicContact CD1-CB 3.99Å; I265-E269 HydrophobicContact CG1-CB 3.43Å; I265-E269 VanDerWaalsContact CG1-CB 3.43Å; I265-A270 HydrophobicContact CD1-CB 4.23Å; I265-A270 HydrophobicContact CG1-CB 4.41Å |
| 266 | T | 98.5 | Very high | 97.7 | Very high | 61 Ų | 61 | 45.8 Ų | 45.8 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -77 | 163.8 | 175.4 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | R264 Y268 E269 A270 | R264-T266 PolarHBondContact O-N 3.06Å; T266-Y268 PolarHBondContact O-N 2.9Å; T266-E269 VanDerWaalsContact CB-OE2 3.31Å; T266-E269 WeakPolarHBondContact CB-OE2 3.4Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.25Å; T266-E269 PolarHBondContact N-OE2 3.25Å; T266-E269 PolarHBondContact O-N 3.44Å; T266-E269 VanDerWaalsContact OG1-CD 3.29Å; T266-E269 VanDerWaalsContact OG1-CG 3.32Å; T266-E269 WeakPolarHBondContact OG1-CG 3.41Å; T266-E269 PolarHBondContact OG1-N 3.21Å; T266-E269 PolarHBondContact OG1-OE2 3.14Å; T266-A270 WeakPolarHBondContact O-CB 3.39Å; T266-A270 PolarHBondContact O-N 3.05Å |
| 267 | V | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -34.7 | 176.3 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | L126 L129 R130 H133 V202 L271 | L126-V267 HydrophobicContact CB-CG2 4.14Å; L126-V267 HydrophobicContact CD2-CG2 3.98Å; L126-V267 WeakPolarHBondContact O-CG2 3.41Å; L129-V267 HydrophobicContact CB-CG2 4.29Å; L129-V267 HydrophobicContact CD2-CG2 4.43Å; L129-V267 HydrophobicContact CG-CG2 4.42Å; R130-V267 HydrophobicContact CB-CG1 4.1Å; R130-V267 HydrophobicContact CB-CG2 3.94Å; R130-V267 HydrophobicContact CG-CG1 4.23Å; H133-V267 HydrophobicContact CB-CG1 4.41Å; V202-V267 HydrophobicContact CG2-CB 4.43Å; V267-L271 HydrophobicContact CG2-CD1 4.46Å; V267-L271 WeakPolarHBondContact O-CB 3.49Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; V267-L271 PolarHBondContact O-N 2.94Å |
| 268 | Y | 98.1 | Very high | 97 | Very high | 99 Ų | 99 | 55 Ų | 55 | 39% | 0.388 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70 | -39.9 | 178 | -52.1 | -90 | 0 | 0 | 0 | 112.3 | R130 D134 T266 N272 | R130-Y268 HydrophobicContact CG-CD1 3.86Å; R130-Y268 HydrophobicContact CG-CE1 3.47Å; R130-Y268 VanDerWaalsContact CG-CE1 3.47Å; D134-Y268 PolarHBondContact OD1-OH 2.81Å; T266-Y268 PolarHBondContact O-N 2.9Å; Y268-N272 PolarHBondContact O-N 2.61Å; Y268-N272 PolarHBondContact O-ND2 2.82Å |
| 269 | E | 98.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 55.5 Ų | 55.5 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.9 | -39.9 | 176.4 | -68.7 | 164.3 | 129.9 | 0 | 0 | 111.1 | I265 T266 L271 N272 H273 | I265-E269 HydrophobicContact CD1-CB 3.99Å; I265-E269 HydrophobicContact CG1-CB 3.43Å; I265-E269 VanDerWaalsContact CG1-CB 3.43Å; T266-E269 VanDerWaalsContact CB-OE2 3.31Å; T266-E269 WeakPolarHBondContact CB-OE2 3.4Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.25Å; T266-E269 PolarHBondContact N-OE2 3.25Å; T266-E269 PolarHBondContact O-N 3.44Å; T266-E269 VanDerWaalsContact OG1-CD 3.29Å; T266-E269 VanDerWaalsContact OG1-CG 3.32Å; T266-E269 WeakPolarHBondContact OG1-CG 3.41Å; T266-E269 PolarHBondContact OG1-N 3.21Å; T266-E269 PolarHBondContact OG1-OE2 3.14Å; E269-L271 PolarHBondContact O-N 3.21Å; E269-N272 CarbonylContact O-C 3.59Å; E269-N272 WeakPolarHBondContact O-CA 3.42Å; E269-N272 PolarHBondContact O-N 3.34Å; E269-H273 PolarHBondContact O-N 3.45Å |
| 270 | A | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | L126 L252 I265 T266 N272 H273 L276 | L126-A270 HydrophobicContact CD1-CB 4.08Å; L252-A270 HydrophobicContact CD1-CB 4.2Å; I265-A270 HydrophobicContact CD1-CB 4.23Å; I265-A270 HydrophobicContact CG1-CB 4.41Å; T266-A270 WeakPolarHBondContact O-CB 3.39Å; T266-A270 PolarHBondContact O-N 3.05Å; A270-N272 PolarHBondContact O-N 3.05Å; A270-N272 VanDerWaalsContact O-N 3.15Å; A270-H273 WeakPolarHBondContact O-CB 3.45Å; A270-H273 PolarHBondContact O-N 3.36Å; A270-L276 WeakPolarHBondContact O-CD1 3.49Å |
| 271 | L | 98.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -22.5 | 175.4 | -75.2 | 171 | 0 | 0 | 0 | 114.2 | R123 L126 E127 R130 V267 E269 | R123-L271 HydrophobicContact CG-CD2 4.41Å; R123-L271 PolarHBondContact NH2-O 2.8Å; L126-L271 HydrophobicContact CB-CD1 4.45Å; L126-L271 HydrophobicContact CB-CD2 3.63Å; L126-L271 HydrophobicContact CB-CG 3.9Å; E127-L271 HydrophobicContact CG-CD1 4.15Å; E127-L271 HydrophobicContact CG-CD2 3.85Å; R130-L271 HydrophobicContact CB-CD1 4.15Å; V267-L271 HydrophobicContact CG2-CD1 4.46Å; V267-L271 WeakPolarHBondContact O-CB 3.49Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; V267-L271 PolarHBondContact O-N 2.94Å; E269-L271 PolarHBondContact O-N 3.21Å |
| 272 | N | 97.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 63.5 Ų | 63.5 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -92.8 | -7.7 | 174.3 | -83 | -74.9 | 0 | 0 | 0 | 114.2 | Y268 E269 A270 K277 | Y268-N272 PolarHBondContact O-N 2.61Å; Y268-N272 PolarHBondContact O-ND2 2.82Å; E269-N272 CarbonylContact O-C 3.59Å; E269-N272 WeakPolarHBondContact O-CA 3.42Å; E269-N272 PolarHBondContact O-N 3.34Å; A270-N272 PolarHBondContact O-N 3.05Å; A270-N272 VanDerWaalsContact O-N 3.15Å; N272-K277 WeakPolarHBondContact O-CD 3.43Å; N272-K277 PolarHBondContact OD1-NZ 3.48Å |
| 273 | H | 98.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -61.8 | 140 | -179.4 | -171.8 | -83.3 | 0 | 0 | 0 | 111.1 | S248 D251 L252 R255 E269 A270 W275 L276 K277 | S248-H273 VanDerWaalsContact CA-CE1 3.42Å; S248-H273 WeakPolarHBondContact CA-CE1 3.36Å; S248-H273 PolarHBondContact O-CE1 3.12Å; S248-H273 PolarHBondContact OG-CE1 2.97Å; D251-H273 WeakPolarHBondContact CB-NE2 3.35Å; D251-H273 IonicContact OD1-NE2 2.65Å; D251-H273 IonicContact OD2-CD2 3.52Å; D251-H273 IonicContact OD2-CE1 3.44Å; D251-H273 IonicContact OD2-NE2 3.64Å; D251-H273 PolarHBondContact OD2-NE2 3.07Å; L252-H273 HydrophobicContact CD1-CB 3.99Å; R255-H273 PolarHBondContact NE-NE2 2.75Å; E269-H273 PolarHBondContact O-N 3.45Å; A270-H273 WeakPolarHBondContact O-CB 3.45Å; A270-H273 PolarHBondContact O-N 3.36Å; H273-W275 PolarHBondContact ND1-N 2.92Å; H273-W275 PolarHBondContact O-N 3.01Å; H273-W275 VanDerWaalsContact O-N 3.07Å; H273-L276 PolarHBondContact O-N 3.45Å; H273-K277 WeakPolarHBondContact O-CB 3.48Å; H273-K277 PolarHBondContact O-N 3.45Å |
| 274 | P | 96.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -51.2 | -35.8 | -175.7 | -30.6 | 36 | 0 | 0 | 0 | 115.1 | L276 E278 Y282 | P274-L276 VanDerWaalsContact C-N 3.31Å; P274-L276 PolarHBondContact O-N 3.09Å; P274-E278 CarbonylContact O-C 3.46Å; P274-E278 WeakPolarHBondContact O-CA 3.44Å; P274-E278 PolarHBondContact O-N 2.96Å; P274-Y282 HydrophobicContact CB-CD2 3.71Å; P274-Y282 HydrophobicContact CB-CE2 3.79Å; P274-Y282 HydrophobicContact CB-CG 4.21Å |
| 275 | W | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -28.3 | 179.7 | -171 | 77 | 0 | 0 | 0 | 114.1 | E115 A118 S119 L209 L213 A249 L252 H273 | E115-W275 HydrophobicContact CB-CZ2 4.19Å; E115-W275 HydrophobicContact CG-CZ2 4.45Å; E115-W275 WeakPolarHBondContact O-CZ2 3.39Å; E115-W275 PolarHBondContact OE2-NE1 3.41Å; A118-W275 HydrophobicContact CB-CH2 4.08Å; A118-W275 HydrophobicContact CB-CZ2 4.4Å; S119-W275 VanDerWaalsContact CA-CH2 3.44Å; S119-W275 VanDerWaalsContact N-CH2 3.33Å; S119-W275 PolarHBondContact OG-O 3.44Å; L209-W275 HydrophobicContact CD1-CH2 3.47Å; L209-W275 VanDerWaalsContact CD1-CH2 3.47Å; L209-W275 HydrophobicContact CD1-CZ2 4.49Å; L209-W275 HydrophobicContact CD1-CZ3 3.48Å; L209-W275 VanDerWaalsContact CD1-CZ3 3.48Å; L213-W275 HydrophobicContact CD2-CH2 4.22Å; L213-W275 HydrophobicContact CD2-CZ2 3.86Å; A249-W275 HydrophobicContact CB-CD2 4.19Å; A249-W275 HydrophobicContact CB-CG 4.27Å; A249-W275 HydrophobicContact CB-CZ2 4.17Å; L252-W275 HydrophobicContact CD2-CE3 3.68Å; L252-W275 HydrophobicContact CD2-CZ3 4.25Å; H273-W275 PolarHBondContact ND1-N 2.92Å; H273-W275 PolarHBondContact O-N 3.01Å; H273-W275 VanDerWaalsContact O-N 3.07Å |
| 276 | L | 96.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -95.7 | -36.3 | 174.8 | -67.6 | -177.6 | 0 | 0 | 0 | 112.5 | S119 M122 R123 L126 L252 A270 H273 P274 | S119-L276 VanDerWaalsContact O-CD2 3.3Å; S119-L276 WeakPolarHBondContact O-CD2 3.43Å; M122-L276 HydrophobicContact CB-CD2 4.22Å; R123-L276 HydrophobicContact CB-CD2 4.44Å; R123-L276 PolarHBondContact NE-O 3.33Å; R123-L276 PolarHBondContact NH2-O 2.81Å; L126-L276 HydrophobicContact CD1-CD1 3.45Å; L126-L276 VanDerWaalsContact CD1-CD1 3.45Å; L252-L276 HydrophobicContact CD2-CD1 3.95Å; L252-L276 HydrophobicContact CD2-CG 3.93Å; A270-L276 WeakPolarHBondContact O-CD1 3.49Å; H273-L276 PolarHBondContact O-N 3.45Å; P274-L276 VanDerWaalsContact C-N 3.31Å; P274-L276 PolarHBondContact O-N 3.09Å |
| 277 | K | 92.9 | Very high | 91.4 | Very high | 122 Ų | 122 | 69.3 Ų | 69.3 | 53% | 0.53 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -81.8 | -42.5 | -174.8 | -170.8 | 173.2 | -173.5 | 165.1 | 0 | 113.2 | N272 H273 | N272-K277 WeakPolarHBondContact O-CD 3.43Å; N272-K277 PolarHBondContact OD1-NZ 3.48Å; H273-K277 WeakPolarHBondContact O-CB 3.48Å; H273-K277 PolarHBondContact O-N 3.45Å |
| 278 | E | 89.1 | Confident | 91.1 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -111.5 | 47.6 | -179 | -75.1 | -179.2 | -125 | 0 | 0 | 110.2 | P274 D280 R281 Y282 | P274-E278 CarbonylContact O-C 3.46Å; P274-E278 WeakPolarHBondContact O-CA 3.44Å; P274-E278 PolarHBondContact O-N 2.96Å; E278-D280 VanDerWaalsContact C-N 3.29Å; E278-D280 PolarHBondContact O-N 2.95Å; E278-D280 VanDerWaalsContact O-N 3.15Å; E278-R281 HydrophobicContact CB-CB 4.45Å; E278-R281 WeakPolarHBondContact O-CB 3.43Å; E278-R281 PolarHBondContact O-N 2.91Å; E278-R281 WeakPolarHBondContact OE2-CD 3.43Å; E278-R281 IonicContact OE2-CZ 3.42Å; E278-R281 IonicContact OE2-NE 2.89Å; E278-R281 IonicContact OE2-NH1 3.24Å; E278-R281 PolarHBondContact OE2-NH1 2.79Å; E278-Y282 HydrophobicContact CB-CD2 3.61Å; E278-Y282 HydrophobicContact CB-CE2 3.84Å; E278-Y282 PolarHBondContact O-N 3.02Å |
| 279 | R | 84.6 | Confident | 90.6 | Very high | 86 Ų | 86 | 67.5 Ų | 67.5 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -47.7 | -45.5 | -173.8 | -177 | -175.1 | 66.1 | -180 | -3.3 | 113.6 | A116 H120 R281 Y282 A283 | A116-R279 HydrophobicContact CB-CG 4.43Å; A116-R279 WeakPolarHBondContact O-CD 3.24Å; H120-R279 PolarHBondContact ND1-NH1 3.41Å; R279-R281 PolarHBondContact O-N 3.22Å; R279-Y282 PolarHBondContact O-N 3.24Å; R279-A283 HydrophobicContact CG-CB 3.83Å; R279-A283 WeakPolarHBondContact O-CB 3.38Å; R279-A283 PolarHBondContact O-N 2.88Å |
| 280 | D | 79.3 | Confident | 90.1 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.9 | -15.1 | -178.4 | -70.5 | -71.2 | 0 | 0 | 0 | 114.4 | E278 K285 | E278-D280 VanDerWaalsContact C-N 3.29Å; E278-D280 PolarHBondContact O-N 2.95Å; E278-D280 VanDerWaalsContact O-N 3.15Å; D280-K285 WeakPolarHBondContact OD1-CE 3.39Å; D280-K285 IonicContact OD1-NZ 2.77Å; D280-K285 PolarHBondContact OD1-NZ 2.81Å |
| 281 | R | 83.2 | Confident | 89.9 | Confident | 171 Ų | 171 | 66.6 Ų | 66.6 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -98.4 | -39.8 | 175.3 | 176.5 | -179.9 | -82.5 | 167.2 | -11.4 | 112.6 | E278 R279 | E278-R281 HydrophobicContact CB-CB 4.45Å; E278-R281 WeakPolarHBondContact O-CB 3.43Å; E278-R281 PolarHBondContact O-N 2.91Å; E278-R281 WeakPolarHBondContact OE2-CD 3.43Å; E278-R281 IonicContact OE2-CZ 3.42Å; E278-R281 IonicContact OE2-NE 2.89Å; E278-R281 IonicContact OE2-NH1 3.24Å; E278-R281 PolarHBondContact OE2-NH1 2.79Å; R279-R281 PolarHBondContact O-N 3.22Å |
| 282 | Y | 82.4 | Confident | 89.6 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -111.1 | -16 | -169.1 | -65.7 | -74.3 | 0 | 0 | 0 | 115.9 | S246 P274 E278 R279 | S246-Y282 PolarHBondContact OG-O 2.85Å; P274-Y282 HydrophobicContact CB-CD2 3.71Å; P274-Y282 HydrophobicContact CB-CE2 3.79Å; P274-Y282 HydrophobicContact CB-CG 4.21Å; E278-Y282 HydrophobicContact CB-CD2 3.61Å; E278-Y282 HydrophobicContact CB-CE2 3.84Å; E278-Y282 PolarHBondContact O-N 3.02Å; R279-Y282 PolarHBondContact O-N 3.24Å |
| 283 | A | 80.8 | Confident | 89 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -104.8 | 112.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E115 A116 R279 | E115-A283 HydrophobicContact CB-CB 4.28Å; A116-A283 HydrophobicContact CB-CB 4.29Å; R279-A283 HydrophobicContact CG-CB 3.83Å; R279-A283 WeakPolarHBondContact O-CB 3.38Å; R279-A283 PolarHBondContact O-N 2.88Å |
| 284 | Y | 85.1 | Confident | 88.4 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 45% | 0.451 | 30% | 0.304 | S | S | . | . | trans | -67.7 | 142.4 | -174.7 | -60.1 | -28.9 | 0 | 0 | 0 | 112.8 | E115 A116 I286 | E115-Y284 WeakPolarHBondContact CB-O 3.42Å; E115-Y284 PolarHBondContact N-O 3.03Å; E115-Y284 WeakPolarHBondContact OE1-CD2 3.5Å; A116-Y284 PolarHBondContact N-O 2.78Å; A116-Y284 VanDerWaalsContact N-O 3.11Å; Y284-I286 VanDerWaalsContact C-N 3.3Å | ||
| 285 | K | 86.9 | Confident | 88 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | trans | -95.6 | 21.8 | 177.8 | -61.4 | 178.5 | -176.7 | 176.6 | 0 | 112.4 | A116 D280 | A116-K285 HydrophobicContact CB-CG 3.79Å; D280-K285 WeakPolarHBondContact OD1-CE 3.39Å; D280-K285 IonicContact OD1-NZ 2.77Å; D280-K285 PolarHBondContact OD1-NZ 2.81Å | ||
| 286 | I | 85.6 | Confident | 87.4 | Confident | 110 Ų | 110 | 68.3 Ų | 68.3 | 56% | 0.564 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -82.5 | 139.8 | 177.5 | -56.9 | 173.5 | 0 | 0 | 0 | 107.9 | S114 Y284 | S114-I286 WeakPolarHBondContact CA-O 3.41Å; S114-I286 WeakPolarHBondContact CB-O 3.14Å; Y284-I286 VanDerWaalsContact C-N 3.3Å |
| 287 | H | 91.4 | Very high | 86.6 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | trans | -64.3 | 141.4 | 175 | -168.2 | 34.6 | 0 | 0 | 0 | 110.8 | V112 Y113 P289 | V112-H287 HydrophobicContact CG1-CB 3.85Å; Y113-H287 PolarHBondContact N-ND1 3.04Å; Y113-H287 CarbonylContact O-C 3.56Å; Y113-H287 VanDerWaalsContact O-CA 3.32Å; Y113-H287 WeakPolarHBondContact O-CA 3.29Å; Y113-H287 PolarHBondContact O-ND1 2.82Å; H287-P289 WeakPolarHBondContact O-CD 3.4Å | ||
| 288 | L | 91.8 | Very high | 86.1 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -110 | 70.9 | 176.2 | -60 | 174.7 | 0 | 0 | 0 | 110.8 | Y113 E115 I245 E290 T291 V292 | Y113-L288 PolarHBondContact O-N 2.91Å; E115-L288 HydrophobicContact CG-CD1 4.35Å; I245-L288 HydrophobicContact CD1-CD1 3.76Å; I245-L288 HydrophobicContact CD1-CD2 3.76Å; I245-L288 HydrophobicContact CD1-CG 4.43Å; L288-E290 VanDerWaalsContact C-N 3.35Å; L288-E290 PolarHBondContact O-N 2.93Å; L288-T291 WeakPolarHBondContact O-CB 3.44Å; L288-T291 PolarHBondContact O-N 3.28Å; L288-V292 PolarHBondContact O-N 2.73Å; L288-V292 VanDerWaalsContact O-N 3.09Å | ||
| 289 | P | 88.1 | Confident | 85.8 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | -174.8 | 25.7 | -32 | 0 | 0 | 0 | 112.6 | H287 T291 V292 E293 | H287-P289 WeakPolarHBondContact O-CD 3.4Å; P289-T291 VanDerWaalsContact C-N 3.27Å; P289-T291 PolarHBondContact O-N 3.1Å; P289-V292 PolarHBondContact O-N 3.34Å; P289-E293 PolarHBondContact O-N 2.82Å |
| 290 | E | 89.1 | Confident | 85.3 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 176 | -62.4 | 70.8 | -154.1 | 0 | 0 | 111.4 | Q241 L288 E293 Q294 | Q241-E290 HydrophobicContact CG-CB 4.44Å; L288-E290 VanDerWaalsContact C-N 3.35Å; L288-E290 PolarHBondContact O-N 2.93Å; E290-E293 PolarHBondContact O-N 2.92Å; E290-Q294 WeakPolarHBondContact O-CG 3.06Å; E290-Q294 PolarHBondContact O-N 3.16Å |
| 291 | T | 92.8 | Very high | 85 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 177 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | Y113 L213 L288 P289 E293 Q294 L295 | Y113-T291 HydrophobicContact CD1-CG2 4.42Å; Y113-T291 HydrophobicContact CE1-CG2 3.9Å; L213-T291 PolarHBondContact O-OG1 3.05Å; L288-T291 WeakPolarHBondContact O-CB 3.44Å; L288-T291 PolarHBondContact O-N 3.28Å; P289-T291 VanDerWaalsContact C-N 3.27Å; P289-T291 PolarHBondContact O-N 3.1Å; T291-E293 VanDerWaalsContact C-N 3.34Å; T291-E293 PolarHBondContact O-N 2.92Å; T291-Q294 PolarHBondContact O-N 3.27Å; T291-L295 HydrophobicContact CG2-CD1 4.23Å; T291-L295 WeakPolarHBondContact O-CB 3.48Å; T291-L295 WeakPolarHBondContact O-CG 3.41Å; T291-L295 PolarHBondContact O-N 3.08Å |
| 292 | V | 92.7 | Very high | 84.8 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175 | 171.6 | 0 | 0 | 0 | 0 | 111 | A107 Y113 L288 P289 L295 R296 | A107-V292 HydrophobicContact CB-CB 4.41Å; A107-V292 HydrophobicContact CB-CG1 3.58Å; A107-V292 HydrophobicContact CB-CG2 3.89Å; Y113-V292 HydrophobicContact CD1-CG2 4.04Å; Y113-V292 HydrophobicContact CG-CG2 4.31Å; L288-V292 PolarHBondContact O-N 2.73Å; L288-V292 VanDerWaalsContact O-N 3.09Å; P289-V292 PolarHBondContact O-N 3.34Å; V292-L295 PolarHBondContact O-N 3.15Å; V292-R296 PolarHBondContact O-N 2.98Å |
| 293 | E | 85.4 | Confident | 84.2 | Confident | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69 | -35.3 | 179.9 | -179.8 | 51.7 | -154.4 | 0 | 0 | 112.7 | P289 E290 T291 R296 K297 | P289-E293 PolarHBondContact O-N 2.82Å; E290-E293 PolarHBondContact O-N 2.92Å; T291-E293 VanDerWaalsContact C-N 3.34Å; T291-E293 PolarHBondContact O-N 2.92Å; E293-R296 WeakPolarHBondContact O-CB 3.36Å; E293-R296 PolarHBondContact O-N 3.2Å; E293-R296 WeakPolarHBondContact OE2-CD 3.43Å; E293-R296 IonicContact OE2-CZ 3.86Å; E293-R296 IonicContact OE2-NE 2.8Å; E293-R296 PolarHBondContact OE2-NE 3.33Å; E293-R296 IonicContact OE2-NH2 3.76Å; E293-K297 PolarHBondContact O-N 3.18Å; E293-K297 WeakPolarHBondContact OE1-CE 3.38Å; E293-K297 IonicContact OE1-NZ 2.8Å |
| 294 | Q | 84.7 | Confident | 83.5 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.7 | -38 | 171.7 | -66.6 | -62.1 | -4.2 | 0 | 0 | 112.3 | S214 G215 Q241 E290 T291 R296 K297 F298 | S214-Q294 WeakPolarHBondContact O-CB 3.48Å; G215-Q294 CarbonylContact O-C 3.59Å; Q241-Q294 HydrophobicContact CG-CG 4.48Å; E290-Q294 WeakPolarHBondContact O-CG 3.06Å; E290-Q294 PolarHBondContact O-N 3.16Å; T291-Q294 PolarHBondContact O-N 3.27Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 2.81Å; Q294-K297 PolarHBondContact O-N 3.07Å; Q294-K297 VanDerWaalsContact O-N 3.16Å; Q294-F298 WeakPolarHBondContact O-CB 3.41Å; Q294-F298 PolarHBondContact O-N 3.28Å |
| 295 | L | 87.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 170.6 | -75.8 | 172.2 | 0 | 0 | 0 | 111.8 | C100 I103 V104 Y113 I211 T291 V292 K297 F298 N299 | C100-L295 HydrophobicContact CB-CD2 4.32Å; I103-L295 HydrophobicContact CB-CD1 4.3Å; I103-L295 HydrophobicContact CD1-CD1 4.49Å; I103-L295 HydrophobicContact CG2-CD1 3.59Å; V104-L295 HydrophobicContact CG2-CB 3.6Å; Y113-L295 HydrophobicContact CE1-CD1 4.38Å; I211-L295 HydrophobicContact CG2-CD2 3.72Å; T291-L295 HydrophobicContact CG2-CD1 4.23Å; T291-L295 WeakPolarHBondContact O-CB 3.48Å; T291-L295 WeakPolarHBondContact O-CG 3.41Å; T291-L295 PolarHBondContact O-N 3.08Å; V292-L295 PolarHBondContact O-N 3.15Å; L295-K297 VanDerWaalsContact C-N 3.34Å; L295-K297 PolarHBondContact O-N 3.06Å; L295-F298 HydrophobicContact CD2-CD1 4.42Å; L295-F298 PolarHBondContact O-N 3.26Å; L295-N299 WeakPolarHBondContact O-CB 3.26Å; L295-N299 PolarHBondContact O-N 3.42Å; L295-N299 PolarHBondContact O-ND2 2.91Å |
| 296 | R | 85.8 | Confident | 81.5 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.2 | -48.1 | 173.7 | -167.6 | -166.8 | -56.5 | -75 | -1.5 | 110.9 | V104 D108 V292 E293 Q294 A300 | V104-R296 HydrophobicContact CG1-CB 4.07Å; V104-R296 HydrophobicContact CG1-CG 4.13Å; V104-R296 HydrophobicContact CG2-CB 4.47Å; D108-R296 VanDerWaalsContact CG-NH1 3.29Å; D108-R296 IonicContact OD1-CZ 3.69Å; D108-R296 VanDerWaalsContact OD1-CZ 3.3Å; D108-R296 IonicContact OD1-NH1 3.83Å; D108-R296 PolarHBondContact OD1-NH1 2.88Å; D108-R296 IonicContact OD1-NH2 2.98Å; D108-R296 PolarHBondContact OD1-NH2 3.1Å; D108-R296 IonicContact OD2-CZ 3.54Å; D108-R296 IonicContact OD2-NH1 3.52Å; D108-R296 PolarHBondContact OD2-NH1 2.82Å; D108-R296 IonicContact OD2-NH2 2.66Å; V292-R296 PolarHBondContact O-N 2.98Å; E293-R296 WeakPolarHBondContact O-CB 3.36Å; E293-R296 PolarHBondContact O-N 3.2Å; E293-R296 WeakPolarHBondContact OE2-CD 3.43Å; E293-R296 IonicContact OE2-CZ 3.86Å; E293-R296 IonicContact OE2-NE 2.8Å; E293-R296 PolarHBondContact OE2-NE 3.33Å; E293-R296 IonicContact OE2-NH2 3.76Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 2.81Å; R296-A300 WeakPolarHBondContact O-CB 3.22Å; R296-A300 PolarHBondContact O-N 3.36Å |
| 297 | K | 79.3 | Confident | 80.3 | Confident | 89 Ų | 89 | 47.2 Ų | 47.2 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.2 | -37.9 | 177.8 | -66.8 | 168.7 | -173.6 | 163.8 | 0 | 113 | E293 Q294 L295 R301 | E293-K297 PolarHBondContact O-N 3.18Å; E293-K297 WeakPolarHBondContact OE1-CE 3.38Å; E293-K297 IonicContact OE1-NZ 2.8Å; Q294-K297 PolarHBondContact O-N 3.07Å; Q294-K297 VanDerWaalsContact O-N 3.16Å; L295-K297 VanDerWaalsContact C-N 3.34Å; L295-K297 PolarHBondContact O-N 3.06Å; K297-R301 WeakPolarHBondContact O-CG 3.49Å; K297-R301 PolarHBondContact O-N 3.37Å; K297-R301 VanDerWaalsContact O-N 3.17Å; K297-R301 PolarHBondContact O-NE 3.36Å |
| 298 | F | 82.4 | Confident | 78.8 | Confident | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.4 | 175.9 | -110.7 | 0 | 0 | 0 | 111.6 | P144 I211 L217 Q294 L295 R301 R302 | P144-F298 HydrophobicContact CG-CE1 4.22Å; P144-F298 HydrophobicContact CG-CZ 4.28Å; I211-F298 HydrophobicContact CD1-CE1 4.48Å; I211-F298 HydrophobicContact CD1-CZ 3.95Å; I211-F298 HydrophobicContact CG2-CD1 4.2Å; I211-F298 HydrophobicContact CG2-CE1 3.89Å; I211-F298 HydrophobicContact CG2-CZ 4.31Å; L217-F298 HydrophobicContact CD1-CE2 4.36Å; L217-F298 HydrophobicContact CD2-CE2 4.22Å; L217-F298 HydrophobicContact CG-CE2 4.07Å; Q294-F298 WeakPolarHBondContact O-CB 3.41Å; Q294-F298 PolarHBondContact O-N 3.28Å; L295-F298 HydrophobicContact CD2-CD1 4.42Å; L295-F298 PolarHBondContact O-N 3.26Å; F298-R301 PolarHBondContact O-N 2.97Å; F298-R302 VanDerWaalsContact CE1-CD 3.41Å; F298-R302 HydrophobicContact CE2-CG 4.49Å; F298-R302 HydrophobicContact CZ-CG 4.41Å; F298-R302 WeakPolarHBondContact O-CG 3.33Å; F298-R302 PolarHBondContact O-N 2.78Å |
| 299 | N | 83.6 | Confident | 77.4 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.9 | -69.6 | -22 | 0 | 0 | 0 | 112.5 | C100 F101 V104 L295 R301 R302 K303 | C100-N299 VanDerWaalsContact CB-OD1 3.29Å; C100-N299 WeakPolarHBondContact CB-OD1 3.5Å; C100-N299 PolarHBondContact O-ND2 2.89Å; F101-N299 WeakPolarHBondContact CA-ND2 3.42Å; F101-N299 HydrophobicContact CD1-CB 4.04Å; F101-N299 HydrophobicContact CD2-CB 4.33Å; F101-N299 HydrophobicContact CE1-CB 3.72Å; F101-N299 HydrophobicContact CE2-CB 4.04Å; F101-N299 HydrophobicContact CG-CB 4.34Å; F101-N299 HydrophobicContact CZ-CB 3.72Å; F101-N299 WeakPolarHBondContact CZ-O 3.39Å; V104-N299 WeakPolarHBondContact CG2-ND2 3.25Å; L295-N299 WeakPolarHBondContact O-CB 3.26Å; L295-N299 PolarHBondContact O-N 3.42Å; L295-N299 PolarHBondContact O-ND2 2.91Å; N299-R301 PolarHBondContact O-N 3.37Å; N299-R302 PolarHBondContact O-N 2.85Å; N299-K303 WeakPolarHBondContact O-CB 3.37Å; N299-K303 PolarHBondContact O-N 3.45Å |
| 300 | A | 73.9 | Confident | 76.1 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 50% | 0.504 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R296 K303 L304 | R296-A300 WeakPolarHBondContact O-CB 3.22Å; R296-A300 PolarHBondContact O-N 3.36Å; A300-K303 PolarHBondContact O-N 2.94Å; A300-L304 PolarHBondContact O-N 2.97Å |
| 301 | R | 71.9 | Confident | 74.6 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 23% | 0.234 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 174.8 | -74.8 | 176.4 | -74.6 | 162.8 | -12.4 | 112.1 | K297 F298 N299 K303 L304 K305 H358 | K297-R301 WeakPolarHBondContact O-CG 3.49Å; K297-R301 PolarHBondContact O-N 3.37Å; K297-R301 VanDerWaalsContact O-N 3.17Å; K297-R301 PolarHBondContact O-NE 3.36Å; F298-R301 PolarHBondContact O-N 2.97Å; N299-R301 PolarHBondContact O-N 3.37Å; R301-K303 PolarHBondContact O-N 3.29Å; R301-L304 PolarHBondContact O-N 2.91Å; R301-K305 WeakPolarHBondContact O-CB 3.38Å; R301-K305 PolarHBondContact O-N 2.56Å; R301-H358 PolarHBondContact NH1-CD2 3.2Å; R301-H358 PolarHBondContact NH2-NE2 3.48Å |
| 302 | R | 78.6 | Confident | 72.9 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 175.5 | -74.8 | 173.9 | 57.9 | -148.4 | -2 | 112.2 | D98 H145 F298 N299 K305 G306 | D98-R302 IonicContact OD1-CZ 2.71Å; D98-R302 IonicContact OD1-NH1 3.88Å; D98-R302 PolarHBondContact OD1-NH1 3.08Å; D98-R302 VanDerWaalsContact OD1-NH1 3.12Å; D98-R302 IonicContact OD1-NH2 3.85Å; D98-R302 IonicContact OD2-CZ 2.58Å; D98-R302 IonicContact OD2-NH1 3.62Å; D98-R302 PolarHBondContact OD2-NH1 3.26Å; D98-R302 IonicContact OD2-NH2 3.93Å; D98-R302 PolarHBondContact OD2-NH2 3.03Å; H145-R302 PolarHBondContact CD2-NH2 3.37Å; H145-R302 PolarHBondContact CE1-NE 3.28Å; H145-R302 PolarHBondContact CE1-NH2 3.4Å; H145-R302 PolarHBondContact NE2-NE 2.97Å; H145-R302 PolarHBondContact NE2-NH2 3.4Å; F298-R302 VanDerWaalsContact CE1-CD 3.41Å; F298-R302 HydrophobicContact CE2-CG 4.49Å; F298-R302 HydrophobicContact CZ-CG 4.41Å; F298-R302 WeakPolarHBondContact O-CG 3.33Å; F298-R302 PolarHBondContact O-N 2.78Å; N299-R302 PolarHBondContact O-N 2.85Å; R302-K305 PolarHBondContact O-N 3.26Å; R302-G306 PolarHBondContact O-N 2.89Å |
| 303 | K | 71.3 | Confident | 71.2 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 177.2 | -172.5 | 176.1 | 176.6 | -177.5 | 0 | 111.4 | F101 N299 A300 R301 A307 T460 | F101-K303 HydrophobicContact CZ-CB 4.32Å; N299-K303 WeakPolarHBondContact O-CB 3.37Å; N299-K303 PolarHBondContact O-N 3.45Å; A300-K303 PolarHBondContact O-N 2.94Å; R301-K303 PolarHBondContact O-N 3.29Å; K303-A307 WeakPolarHBondContact O-CB 3.39Å; K303-A307 PolarHBondContact O-N 2.91Å; K303-T460 PolarHBondContact NZ-O 3.19Å |
| 304 | L | 64.9 | Low | 69.9 | Low | 96 Ų | 96 | 45.7 Ų | 45.7 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -50.2 | 176.2 | 178.7 | 62.4 | 0 | 0 | 0 | 111.8 | A300 R301 G306 A307 V308 | A300-L304 PolarHBondContact O-N 2.97Å; R301-L304 PolarHBondContact O-N 2.91Å; L304-G306 VanDerWaalsContact C-N 3.33Å; L304-G306 PolarHBondContact O-N 2.65Å; L304-A307 PolarHBondContact O-N 3.18Å; L304-V308 HydrophobicContact CD1-CG2 4.05Å; L304-V308 HydrophobicContact CG-CG2 4.49Å; L304-V308 WeakPolarHBondContact O-CG2 3.5Å; L304-V308 PolarHBondContact O-N 2.66Å |
| 305 | K | 67.3 | Low | 68.5 | Low | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 179.2 | -173.9 | 165.7 | -174.8 | 157.4 | 0 | 111.9 | R301 R302 L309 L351 D352 E355 | R301-K305 WeakPolarHBondContact O-CB 3.38Å; R301-K305 PolarHBondContact O-N 2.56Å; R302-K305 PolarHBondContact O-N 3.26Å; K305-L309 HydrophobicContact CG-CD1 4.2Å; K305-L309 WeakPolarHBondContact O-CB 3.14Å; K305-L309 WeakPolarHBondContact O-CG 3.27Å; K305-L309 PolarHBondContact O-N 3.14Å; K305-L351 HydrophobicContact CD-CB 4.46Å; K305-L351 HydrophobicContact CG-CB 4.24Å; K305-L351 HydrophobicContact CG-CD1 4.19Å; K305-D352 WeakPolarHBondContact CE-OD1 3.33Å; K305-D352 IonicContact NZ-OD1 3.16Å; K305-D352 PolarHBondContact NZ-OD1 2.81Å; K305-E355 IonicContact NZ-OE1 3.94Å; K305-E355 PolarHBondContact NZ-OE1 2.81Å |
| 306 | G | 64.2 | Low | 66.7 | Low | 41 Ų | 41 | 54 Ų | 54 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R302 L304 A310 | R302-G306 PolarHBondContact O-N 2.89Å; L304-G306 VanDerWaalsContact C-N 3.33Å; L304-G306 PolarHBondContact O-N 2.65Å; G306-A310 VanDerWaalsContact O-CB 3.27Å; G306-A310 WeakPolarHBondContact O-CB 3.27Å; G306-A310 PolarHBondContact O-N 2.89Å |
| 307 | A | 60.5 | Low | 65.1 | Low | 44 Ų | 44 | 51.1 Ų | 51.1 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K303 L304 A310 A311 | K303-A307 WeakPolarHBondContact O-CB 3.39Å; K303-A307 PolarHBondContact O-N 2.91Å; L304-A307 PolarHBondContact O-N 3.18Å; A307-A310 PolarHBondContact O-N 3.11Å; A307-A311 PolarHBondContact O-N 2.86Å; A307-A311 VanDerWaalsContact O-N 3.07Å |
| 308 | V | 59.6 | Low | 63.6 | Low | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 178 | 176.9 | 0 | 0 | 0 | 0 | 111 | L304 A310 A311 V312 V347 L351 | L304-V308 HydrophobicContact CD1-CG2 4.05Å; L304-V308 HydrophobicContact CG-CG2 4.49Å; L304-V308 WeakPolarHBondContact O-CG2 3.5Å; L304-V308 PolarHBondContact O-N 2.66Å; V308-A310 PolarHBondContact O-N 3.47Å; V308-A311 PolarHBondContact O-N 3.26Å; V308-V312 WeakPolarHBondContact O-CG2 3.43Å; V308-V312 PolarHBondContact O-N 3.41Å; V308-V312 VanDerWaalsContact O-N 3.11Å; V308-V347 HydrophobicContact CG1-CG1 3.59Å; V308-L351 HydrophobicContact CB-CD1 3.94Å; V308-L351 HydrophobicContact CB-CD2 4.29Å; V308-L351 HydrophobicContact CG1-CD1 3.8Å; V308-L351 HydrophobicContact CG1-CD2 4.3Å; V308-L351 HydrophobicContact CG1-CG 4.45Å; V308-L351 HydrophobicContact CG2-CD2 4.41Å |
| 309 | L | 62.7 | Low | 61.8 | Low | 53 Ų | 53 | 52.8 Ų | 52.8 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.7 | -70 | 171.9 | 0 | 0 | 0 | 111.6 | K305 A311 V312 S313 L351 | K305-L309 HydrophobicContact CG-CD1 4.2Å; K305-L309 WeakPolarHBondContact O-CB 3.14Å; K305-L309 WeakPolarHBondContact O-CG 3.27Å; K305-L309 PolarHBondContact O-N 3.14Å; L309-A311 VanDerWaalsContact C-N 3.25Å; L309-A311 PolarHBondContact O-N 3.23Å; L309-V312 PolarHBondContact O-N 2.96Å; L309-S313 PolarHBondContact O-N 2.74Å; L309-S313 PolarHBondContact O-OG 3.32Å; L309-L351 HydrophobicContact CD2-CD1 4.09Å; L309-L351 HydrophobicContact CG-CD1 3.95Å |
| 310 | A | 59.9 | Low | 59.8 | Low | 57 Ų | 57 | 56.6 Ų | 56.6 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -30.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G306 A307 V308 | G306-A310 VanDerWaalsContact O-CB 3.27Å; G306-A310 WeakPolarHBondContact O-CB 3.27Å; G306-A310 PolarHBondContact O-N 2.89Å; A307-A310 PolarHBondContact O-N 3.11Å; V308-A310 PolarHBondContact O-N 3.47Å |
| 311 | A | 58.3 | Low | 58.6 | Low | 22 Ų | 22 | 57.1 Ų | 57.1 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.4 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A307 V308 L309 S314 V446 | A307-A311 PolarHBondContact O-N 2.86Å; A307-A311 VanDerWaalsContact O-N 3.07Å; V308-A311 PolarHBondContact O-N 3.26Å; L309-A311 VanDerWaalsContact C-N 3.25Å; L309-A311 PolarHBondContact O-N 3.23Å; A311-S314 VanDerWaalsContact O-CB 3.29Å; A311-S314 WeakPolarHBondContact O-CB 3.34Å; A311-S314 PolarHBondContact O-N 2.86Å; A311-V446 HydrophobicContact CB-CG1 4.15Å |
| 312 | V | 57.2 | Low | 57.1 | Low | 14 Ų | 14 | 57.4 Ų | 57.4 | 9% | 0.085 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 179.3 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | V308 L309 S314 E344 V347 | V308-V312 WeakPolarHBondContact O-CG2 3.43Å; V308-V312 PolarHBondContact O-N 3.41Å; V308-V312 VanDerWaalsContact O-N 3.11Å; L309-V312 PolarHBondContact O-N 2.96Å; V312-S314 PolarHBondContact O-N 2.71Å; V312-S314 VanDerWaalsContact O-N 3.17Å; V312-E344 HydrophobicContact CG1-CB 4.45Å; V312-E344 HydrophobicContact CG1-CG 3.72Å; V312-V347 HydrophobicContact CG2-CB 4.29Å; V312-V347 HydrophobicContact CG2-CG1 4.04Å; V312-V347 HydrophobicContact CG2-CG2 4.12Å |
| 313 | S | 55.9 | Low | 55.1 | Low | 61 Ų | 61 | 63.5 Ų | 63.5 | 43% | 0.427 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 9.6 | 175.2 | -57 | 0 | 0 | 0 | 0 | 114.5 | L309 E344 | L309-S313 PolarHBondContact O-N 2.74Å; L309-S313 PolarHBondContact O-OG 3.32Å; S313-E344 VanDerWaalsContact CA-OE1 3.26Å; S313-E344 WeakPolarHBondContact CA-OE1 3.45Å; S313-E344 WeakPolarHBondContact CB-OE1 3.46Å; S313-E344 PolarHBondContact OG-OE1 3.19Å |
| 314 | S | 58.3 | Low | 53.6 | Low | 15 Ų | 15 | 64.1 Ų | 64.1 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | trans | -75.6 | 133.2 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | A311 V312 K316 F317 | A311-S314 VanDerWaalsContact O-CB 3.29Å; A311-S314 WeakPolarHBondContact O-CB 3.34Å; A311-S314 PolarHBondContact O-N 2.86Å; V312-S314 PolarHBondContact O-N 2.71Å; V312-S314 VanDerWaalsContact O-N 3.17Å; S314-K316 PolarHBondContact O-N 2.78Å; S314-K316 VanDerWaalsContact O-N 3.07Å; S314-K316 PolarHBondContact OG-N 2.74Å; S314-F317 WeakPolarHBondContact O-CB 3.45Å; S314-F317 PolarHBondContact O-N 2.77Å | ||
| 315 | H | 54.9 | Low | 52.3 | Low | 139 Ų | 139 | 64.7 Ų | 64.7 | 64% | 0.644 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.7 | -15.4 | 170.1 | 59.4 | -94.7 | 0 | 0 | 0 | 113.1 | F317 S318 S319 | H315-F317 VanDerWaalsContact C-N 3.3Å; H315-S318 PolarHBondContact O-N 3.26Å; H315-S318 PolarHBondContact O-OG 3.47Å; H315-S319 WeakPolarHBondContact O-CB 3.33Å; H315-S319 PolarHBondContact O-N 3.47Å |
| 316 | K | 50.7 | Low | 51.1 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.6 | -22.5 | 170.7 | -63.4 | -176.9 | -172.9 | 165.3 | 0 | 113 | S314 S318 S319 H449 E450 | S314-K316 PolarHBondContact O-N 2.78Å; S314-K316 VanDerWaalsContact O-N 3.07Å; S314-K316 PolarHBondContact OG-N 2.74Å; K316-S318 PolarHBondContact O-N 2.86Å; K316-S319 WeakPolarHBondContact CA-OG 3.1Å; K316-S319 PolarHBondContact O-N 3.28Å; K316-S319 PolarHBondContact O-OG 2.66Å; K316-H449 PolarHBondContact NZ-CD2 3.16Å; K316-H449 PolarHBondContact NZ-NE2 3.32Å; K316-E450 WeakPolarHBondContact CD-OE1 3.41Å; K316-E450 IonicContact NZ-OE1 2.68Å; K316-E450 PolarHBondContact NZ-OE1 2.81Å |
| 317 | F | 51.8 | Low | 49.8 | Very low | 33 Ų | 33 | 79 Ų | 79 | 15% | 0.145 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.5 | -30.7 | 171.6 | -162 | -86.8 | 0 | 0 | 0 | 111 | S314 H315 L340 Q442 V446 | S314-F317 WeakPolarHBondContact O-CB 3.45Å; S314-F317 PolarHBondContact O-N 2.77Å; H315-F317 VanDerWaalsContact C-N 3.3Å; F317-L340 HydrophobicContact CD1-CD1 3.72Å; F317-L340 HydrophobicContact CE1-CD1 4.38Å; F317-L340 HydrophobicContact CG-CD1 4.43Å; F317-Q442 HydrophobicContact CE2-CB 4.43Å; F317-V446 HydrophobicContact CD2-CG2 4.16Å |
| 318 | S | 48.2 | Very low | 48.7 | Very low | 57 Ų | 57 | 84.1 Ų | 84.1 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -92.2 | -33.5 | 172.1 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | H315 K316 F320 Y321 | H315-S318 PolarHBondContact O-N 3.26Å; H315-S318 PolarHBondContact O-OG 3.47Å; K316-S318 PolarHBondContact O-N 2.86Å; S318-F320 PolarHBondContact O-N 2.89Å; S318-Y321 PolarHBondContact O-N 2.76Å |
| 319 | S | 44.7 | Very low | 47.7 | Very low | 80 Ų | 80 | 89.6 Ų | 89.6 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -17.8 | -169.5 | 73.2 | 0 | 0 | 0 | 0 | 116.5 | H315 K316 Y321 | H315-S319 WeakPolarHBondContact O-CB 3.33Å; H315-S319 PolarHBondContact O-N 3.47Å; K316-S319 WeakPolarHBondContact CA-OG 3.1Å; K316-S319 PolarHBondContact O-N 3.28Å; K316-S319 PolarHBondContact O-OG 2.66Å; S319-Y321 PolarHBondContact O-N 3.29Å |
| 320 | F | 40.9 | Very low | 46.4 | Very low | 84 Ų | 84 | 94 Ų | 94 | 37% | 0.368 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0.8 | 173.5 | -78.7 | -82.8 | 0 | 0 | 0 | 114.1 | S318 K410 | S318-F320 PolarHBondContact O-N 2.89Å; F320-K410 PolarHBondContact O-NZ 3.16Å |
| 321 | Y | 47.9 | Very low | 45.1 | Very low | 72 Ų | 72 | 101.2 Ų | 101.2 | 28% | 0.282 | 55% | 0.549 | S | S | . | . | trans | -132.3 | 117.7 | -175 | -60.6 | -83.4 | 0 | 0 | 0 | 110.7 | S318 S319 V406 M438 Q442 | S318-Y321 PolarHBondContact O-N 2.76Å; S319-Y321 PolarHBondContact O-N 3.29Å; Y321-V406 VanDerWaalsContact OH-CG1 3.25Å; Y321-V406 WeakPolarHBondContact OH-CG1 3.39Å; Y321-M438 HydrophobicContact CE1-CE 3.72Å; Y321-Q442 HydrophobicContact CE2-CG 3.72Å; Y321-Q442 VanDerWaalsContact OH-CG 3.27Å; Y321-Q442 WeakPolarHBondContact OH-CG 3.25Å; Y321-Q442 PolarHBondContact OH-NE2 3.07Å | ||
| 322 | G | 41.2 | Very low | 43.9 | Very low | 69 Ų | 69 | 105.5 Ų | 105.5 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 172.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 323 | D | 36.3 | Very low | 42.8 | Very low | 159 Ų | 159 | 114.6 Ų | 114.6 | 85% | 0.85 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 146.8 | -174.4 | -68.6 | -58.3 | 0 | 0 | 0 | 113.6 | ||
| 324 | P | 39.8 | Very low | 41.8 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 144.9 | 177.3 | -8.7 | 20.2 | 0 | 0 | 0 | 110.6 | E326 | P324-E326 PolarHBondContact O-N 2.7Š|
| 325 | P | 38.5 | Very low | 40.6 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -58 | 135.3 | 170.4 | -21.2 | 32.4 | 0 | 0 | 0 | 111 | E327 | P325-E327 PolarHBondContact O-N 3.38Š|
| 326 | E | 41.6 | Very low | 39.8 | Very low | 194 Ų | 194 | 120.7 Ų | 120.7 | 91% | 0.907 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 0.5 | -172.4 | -62.5 | -175.6 | 135.2 | 0 | 0 | 115.4 | P324 | P324-E326 PolarHBondContact O-N 2.7Š|
| 327 | E | 37 | Very low | 39.1 | Very low | 184 Ų | 184 | 120 Ų | 120 | 86% | 0.86 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 16.1 | -167 | -63.5 | -165.4 | 147 | 0 | 0 | 115.8 | P325 | P325-E327 PolarHBondContact O-N 3.38Š|
| 328 | L | 37 | Very low | 39 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 80% | 0.801 | 68% | 0.681 | S | S | * | * | trans | -114.3 | 60.7 | 177.6 | -74 | 172.6 | 0 | 0 | 0 | 113.5 | D330 | L328-D330 PolarHBondContact O-N 2.85Š| ||
| 329 | N | 37.9 | Very low | 39.1 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 86% | 0.861 | 69% | 0.692 | S | S | * | * | trans | -72.2 | 84.7 | 163.4 | -87.3 | -24.5 | 0 | 0 | 0 | 111.3 | ||||
| 330 | D | 36.5 | Very low | 39.3 | Very low | 147 Ų | 147 | 120.9 Ų | 120.9 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | -172.8 | 96.8 | 137.7 | -126.8 | -16.7 | 0 | 0 | 0 | 109.7 | L328 | L328-D330 PolarHBondContact O-N 2.85Š| ||
| 331 | F | 32.2 | Very low | 39.6 | Very low | 208 Ų | 208 | 120.2 Ų | 120.2 | 91% | 0.912 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 174.3 | 117.6 | 146.2 | -96.1 | -64.2 | 0 | 0 | 0 | 109.9 | ||
| 332 | S | 33 | Very low | 39.8 | Very low | 112 Ų | 112 | 119 Ų | 119 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | trans | 84.5 | 121.8 | -179.7 | 77.3 | 0 | 0 | 0 | 0 | 118 | D334 | S332-D334 PolarHBondContact O-N 2.78Š| ||
| 333 | E | 35.2 | Very low | 40.3 | Very low | 205 Ų | 205 | 117.3 Ų | 117.3 | 96% | 0.958 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -84.2 | 35.5 | 173.4 | -63.7 | -175.1 | 122.2 | 0 | 0 | 113 | ||
| 334 | D | 34.4 | Very low | 41.2 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | trans | -132.1 | 92.2 | 175.4 | -164.7 | -16 | 0 | 0 | 0 | 111.5 | S332 T336 | S332-D334 PolarHBondContact O-N 2.78Å; D334-T336 PolarHBondContact O-N 2.71Å; D334-T336 PolarHBondContact OD1-N 3.21Å; D334-T336 PolarHBondContact OD1-OG1 2.89Å | ||
| 335 | P | 32.9 | Very low | 42 | Very low | 131 Ų | 131 | 113.9 Ų | 113.9 | 85% | 0.851 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 15.1 | -172.1 | 31.6 | -36.2 | 0 | 0 | 0 | 114.2 | ||
| 336 | T | 38.3 | Very low | 42.8 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 73% | 0.73 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -5.5 | -176.1 | 63.3 | 0 | 0 | 0 | 0 | 115.4 | D334 | D334-T336 PolarHBondContact O-N 2.71Å; D334-T336 PolarHBondContact OD1-N 3.21Å; D334-T336 PolarHBondContact OD1-OG1 2.89Å |
| 337 | S | 36.2 | Very low | 43.7 | Very low | 45 Ų | 45 | 104.3 Ų | 104.3 | 32% | 0.315 | 59% | 0.585 | S | S | . | * | trans | -95.7 | 111.7 | 177 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 338 | S | 50.2 | Low | 44.9 | Very low | 67 Ų | 67 | 97.3 Ų | 97.3 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | trans | -56.4 | 143.3 | 164.9 | 65 | 0 | 0 | 0 | 0 | 110.5 | L340 L341 A342 | S338-L340 PolarHBondContact O-N 3.06Å; S338-L340 VanDerWaalsContact O-N 3.09Å; S338-L341 PolarHBondContact O-N 2.66Å; S338-L341 VanDerWaalsContact O-N 3.1Å; S338-A342 PolarHBondContact O-N 3.07Å | ||
| 339 | G | 49.1 | Very low | 46 | Very low | 61 Ų | 61 | 93.3 Ų | 93.3 | 63% | 0.629 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.7 | -27.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A342 A343 | G339-A342 PolarHBondContact O-N 2.81Å; G339-A343 PolarHBondContact O-N 3.47Å |
| 340 | L | 48.6 | Very low | 47.2 | Very low | 59 Ų | 59 | 88.6 Ų | 88.6 | 31% | 0.309 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 175.6 | -174.1 | 65.3 | 0 | 0 | 0 | 112.1 | F317 S338 A342 A343 E344 | F317-L340 HydrophobicContact CD1-CD1 3.72Å; F317-L340 HydrophobicContact CE1-CD1 4.38Å; F317-L340 HydrophobicContact CG-CD1 4.43Å; S338-L340 PolarHBondContact O-N 3.06Å; S338-L340 VanDerWaalsContact O-N 3.09Å; L340-A342 VanDerWaalsContact C-N 3.25Å; L340-A342 PolarHBondContact O-N 3.02Å; L340-A343 PolarHBondContact O-N 3.21Å; L340-A343 VanDerWaalsContact O-N 3.16Å; L340-E344 WeakPolarHBondContact O-CG 3.39Å; L340-E344 PolarHBondContact O-N 3.01Å |
| 341 | L | 48.4 | Very low | 48.6 | Very low | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.366 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -31.3 | 179.1 | -70.3 | 169.6 | 0 | 0 | 0 | 112 | S338 R345 | S338-L341 PolarHBondContact O-N 2.66Å; S338-L341 VanDerWaalsContact O-N 3.1Å; L341-R345 WeakPolarHBondContact O-CB 3.36Å; L341-R345 VanDerWaalsContact O-CD 3.26Å; L341-R345 WeakPolarHBondContact O-CD 3.41Å; L341-R345 WeakPolarHBondContact O-CG 3.25Å; L341-R345 PolarHBondContact O-N 2.85Å |
| 342 | A | 50.7 | Low | 50.1 | Low | 48 Ų | 48 | 74 Ų | 74 | 40% | 0.397 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S338 G339 L340 R345 A346 | S338-A342 PolarHBondContact O-N 3.07Å; G339-A342 PolarHBondContact O-N 2.81Å; L340-A342 VanDerWaalsContact C-N 3.25Å; L340-A342 PolarHBondContact O-N 3.02Å; A342-R345 PolarHBondContact O-N 3.26Å; A342-A346 WeakPolarHBondContact O-CB 3.42Å; A342-A346 PolarHBondContact O-N 3.07Å |
| 343 | A | 51.6 | Low | 51.5 | Low | 32 Ų | 32 | 68.7 Ų | 68.7 | 26% | 0.264 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | G339 L340 R345 A346 V347 | G339-A343 PolarHBondContact O-N 3.47Å; L340-A343 PolarHBondContact O-N 3.21Å; L340-A343 VanDerWaalsContact O-N 3.16Å; A343-R345 PolarHBondContact O-N 3.3Å; A343-A346 PolarHBondContact O-N 3.12Å; A343-V347 WeakPolarHBondContact O-CG2 3.29Å; A343-V347 PolarHBondContact O-N 3.23Å |
| 344 | E | 55.2 | Low | 52.9 | Low | 44 Ų | 44 | 62 Ų | 62 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 175.1 | -74.3 | -177.7 | 151.1 | 0 | 0 | 112.2 | V312 S313 L340 A346 V347 S348 | V312-E344 HydrophobicContact CG1-CB 4.45Å; V312-E344 HydrophobicContact CG1-CG 3.72Å; S313-E344 VanDerWaalsContact CA-OE1 3.26Å; S313-E344 WeakPolarHBondContact CA-OE1 3.45Å; S313-E344 WeakPolarHBondContact CB-OE1 3.46Å; S313-E344 PolarHBondContact OG-OE1 3.19Å; L340-E344 WeakPolarHBondContact O-CG 3.39Å; L340-E344 PolarHBondContact O-N 3.01Å; E344-A346 PolarHBondContact O-N 3.12Å; E344-V347 PolarHBondContact O-N 2.97Å; E344-S348 WeakPolarHBondContact O-CB 3.39Å; E344-S348 PolarHBondContact O-N 3.26Å |
| 345 | R | 57.5 | Low | 54.2 | Low | 151 Ų | 151 | 58.8 Ų | 58.8 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 177.6 | -73.8 | 167.7 | -175 | 162 | 1.2 | 112 | L341 A342 A343 Q349 | L341-R345 WeakPolarHBondContact O-CB 3.36Å; L341-R345 VanDerWaalsContact O-CD 3.26Å; L341-R345 WeakPolarHBondContact O-CD 3.41Å; L341-R345 WeakPolarHBondContact O-CG 3.25Å; L341-R345 PolarHBondContact O-N 2.85Å; A342-R345 PolarHBondContact O-N 3.26Å; A343-R345 PolarHBondContact O-N 3.3Å; R345-Q349 WeakPolarHBondContact O-CB 3.44Å; R345-Q349 PolarHBondContact O-N 2.97Å |
| 346 | A | 56 | Low | 55.6 | Low | 55 Ų | 55 | 52.7 Ų | 52.7 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A342 A343 E344 Q349 V350 | A342-A346 WeakPolarHBondContact O-CB 3.42Å; A342-A346 PolarHBondContact O-N 3.07Å; A343-A346 PolarHBondContact O-N 3.12Å; E344-A346 PolarHBondContact O-N 3.12Å; A346-Q349 PolarHBondContact O-N 3.42Å; A346-V350 PolarHBondContact O-N 3.24Å; A346-V350 VanDerWaalsContact O-N 3.12Å |
| 347 | V | 60.5 | Low | 56.6 | Low | 45 Ų | 45 | 47.8 Ų | 47.8 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 178 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | V308 V312 A343 E344 Q349 V350 L351 | V308-V347 HydrophobicContact CG1-CG1 3.59Å; V312-V347 HydrophobicContact CG2-CB 4.29Å; V312-V347 HydrophobicContact CG2-CG1 4.04Å; V312-V347 HydrophobicContact CG2-CG2 4.12Å; A343-V347 WeakPolarHBondContact O-CG2 3.29Å; A343-V347 PolarHBondContact O-N 3.23Å; E344-V347 PolarHBondContact O-N 2.97Å; V347-Q349 VanDerWaalsContact C-N 3.29Å; V347-Q349 PolarHBondContact O-N 3.28Å; V347-V350 PolarHBondContact O-N 2.84Å; V347-L351 HydrophobicContact CG1-CD1 3.96Å; V347-L351 HydrophobicContact CG1-CG 4.34Å; V347-L351 WeakPolarHBondContact O-CG 3.36Å; V347-L351 PolarHBondContact O-N 2.95Å |
| 348 | S | 60.5 | Low | 57.7 | Low | 37 Ų | 37 | 47 Ų | 47 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 173.7 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | E344 V350 L351 D352 | E344-S348 WeakPolarHBondContact O-CB 3.39Å; E344-S348 PolarHBondContact O-N 3.26Å; S348-V350 PolarHBondContact O-N 2.8Å; S348-L351 PolarHBondContact O-N 2.64Å; S348-D352 PolarHBondContact O-N 3.37Å |
| 349 | Q | 61.6 | Low | 58 | Low | 69 Ų | 69 | 44.6 Ų | 44.6 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.2 | -178.6 | 166.2 | -23.8 | 0 | 0 | 112.1 | R345 A346 V347 L351 D352 S353 | R345-Q349 WeakPolarHBondContact O-CB 3.44Å; R345-Q349 PolarHBondContact O-N 2.97Å; A346-Q349 PolarHBondContact O-N 3.42Å; V347-Q349 VanDerWaalsContact C-N 3.29Å; V347-Q349 PolarHBondContact O-N 3.28Å; Q349-L351 PolarHBondContact O-N 2.95Å; Q349-D352 PolarHBondContact O-N 3.41Å; Q349-S353 PolarHBondContact O-N 3.37Å; Q349-S353 VanDerWaalsContact O-N 3.13Å; Q349-S353 PolarHBondContact O-OG 3.36Å |
| 350 | V | 63.4 | Low | 58.4 | Low | 62 Ų | 62 | 43.5 Ų | 43.5 | 38% | 0.376 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | A346 V347 S348 S353 L354 L383 | A346-V350 PolarHBondContact O-N 3.24Å; A346-V350 VanDerWaalsContact O-N 3.12Å; V347-V350 PolarHBondContact O-N 2.84Å; S348-V350 PolarHBondContact O-N 2.8Å; V350-S353 PolarHBondContact O-N 2.98Å; V350-L354 PolarHBondContact O-N 3.29Å; V350-L383 HydrophobicContact CG1-CD2 4.04Å |
| 351 | L | 64.8 | Low | 58.9 | Low | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -34.5 | 177.8 | -68.6 | 169.5 | 0 | 0 | 0 | 112.8 | K305 V308 L309 V347 S348 Q349 L354 | K305-L351 HydrophobicContact CD-CB 4.46Å; K305-L351 HydrophobicContact CG-CB 4.24Å; K305-L351 HydrophobicContact CG-CD1 4.19Å; V308-L351 HydrophobicContact CB-CD1 3.94Å; V308-L351 HydrophobicContact CB-CD2 4.29Å; V308-L351 HydrophobicContact CG1-CD1 3.8Å; V308-L351 HydrophobicContact CG1-CD2 4.3Å; V308-L351 HydrophobicContact CG1-CG 4.45Å; V308-L351 HydrophobicContact CG2-CD2 4.41Å; L309-L351 HydrophobicContact CD2-CD1 4.09Å; L309-L351 HydrophobicContact CG-CD1 3.95Å; V347-L351 HydrophobicContact CG1-CD1 3.96Å; V347-L351 HydrophobicContact CG1-CG 4.34Å; V347-L351 WeakPolarHBondContact O-CG 3.36Å; V347-L351 PolarHBondContact O-N 2.95Å; S348-L351 PolarHBondContact O-N 2.64Å; Q349-L351 PolarHBondContact O-N 2.95Å; L351-L354 HydrophobicContact CD2-CD1 4.1Å; L351-L354 PolarHBondContact O-N 3.48Å |
| 352 | D | 64.6 | Low | 59 | Low | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 172.6 | -68 | -32.3 | 0 | 0 | 0 | 110.8 | T222 K305 S348 Q349 L354 E355 | T222-D352 HydrophobicContact CG2-CB 3.93Å; K305-D352 WeakPolarHBondContact CE-OD1 3.33Å; K305-D352 IonicContact NZ-OD1 3.16Å; K305-D352 PolarHBondContact NZ-OD1 2.81Å; S348-D352 PolarHBondContact O-N 3.37Å; Q349-D352 PolarHBondContact O-N 3.41Å; D352-L354 VanDerWaalsContact C-N 3.28Å; D352-L354 PolarHBondContact O-N 2.93Å; D352-E355 WeakPolarHBondContact O-CB 3.25Å; D352-E355 PolarHBondContact O-N 2.93Å |
| 353 | S | 62.4 | Low | 59 | Low | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -23.3 | 178.3 | -51.8 | 0 | 0 | 0 | 0 | 114.5 | T222 Q349 V350 E355 E356 I357 | T222-S353 WeakPolarHBondContact CG2-OG 3.39Å; Q349-S353 PolarHBondContact O-N 3.37Å; Q349-S353 VanDerWaalsContact O-N 3.13Å; Q349-S353 PolarHBondContact O-OG 3.36Å; V350-S353 PolarHBondContact O-N 2.98Å; S353-E355 PolarHBondContact O-N 2.69Å; S353-E356 WeakPolarHBondContact O-CB 3.36Å; S353-E356 PolarHBondContact O-N 2.93Å; S353-E356 VanDerWaalsContact O-N 3.1Å; S353-I357 PolarHBondContact O-N 3.36Å |
| 354 | L | 63.2 | Low | 59.1 | Low | 64 Ų | 64 | 44.2 Ų | 44.2 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -25.2 | 172.3 | -64.8 | 178 | 0 | 0 | 0 | 112.3 | V350 L351 D352 E356 I357 | V350-L354 PolarHBondContact O-N 3.29Å; L351-L354 HydrophobicContact CD2-CD1 4.1Å; L351-L354 PolarHBondContact O-N 3.48Å; D352-L354 VanDerWaalsContact C-N 3.28Å; D352-L354 PolarHBondContact O-N 2.93Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-I357 HydrophobicContact CD2-CD1 4.18Å |
| 355 | E | 62.7 | Low | 59.1 | Low | 26 Ų | 26 | 50.8 Ų | 50.8 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -76.2 | -24.7 | 177 | -58.7 | 177.8 | -159.8 | 0 | 0 | 111.2 | H184 K305 D352 S353 | H184-E355 IonicContact CE1-OE2 3.03Å; H184-E355 PolarHBondContact CE1-OE2 3.14Å; H184-E355 IonicContact ND1-OE2 3.48Å; H184-E355 IonicContact NE2-OE2 3Å; K305-E355 IonicContact NZ-OE1 3.94Å; K305-E355 PolarHBondContact NZ-OE1 2.81Å; D352-E355 WeakPolarHBondContact O-CB 3.25Å; D352-E355 PolarHBondContact O-N 2.93Å; S353-E355 PolarHBondContact O-N 2.69Å |
| 356 | E | 61.4 | Low | 58.9 | Low | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.2 | -39 | 173.6 | -58.1 | -168.8 | 124.7 | 0 | 0 | 112.9 | G221 T222 R225 S353 L354 H358 A359 L360 L380 | G221-E356 WeakPolarHBondContact CA-OE1 3.17Å; T222-E356 HydrophobicContact CG2-CG 4.14Å; T222-E356 WeakPolarHBondContact CG2-OE2 3.36Å; T222-E356 PolarHBondContact N-OE1 2.79Å; T222-E356 PolarHBondContact OG1-OE1 2.92Å; T222-E356 PolarHBondContact OG1-OE2 2.84Å; R225-E356 WeakPolarHBondContact CD-OE1 3.42Å; R225-E356 IonicContact CZ-OE1 2.83Å; R225-E356 IonicContact NE-OE1 2.7Å; R225-E356 IonicContact NH1-OE1 3.36Å; R225-E356 PolarHBondContact NH1-OE1 3.26Å; R225-E356 IonicContact NH1-OE2 3.67Å; S353-E356 WeakPolarHBondContact O-CB 3.36Å; S353-E356 PolarHBondContact O-N 2.93Å; S353-E356 VanDerWaalsContact O-N 3.1Å; L354-E356 VanDerWaalsContact C-N 3.33Å; E356-H358 PolarHBondContact O-N 2.86Å; E356-A359 WeakPolarHBondContact O-CB 3.31Å; E356-A359 PolarHBondContact O-N 3.03Å; E356-L360 PolarHBondContact O-N 3.11Å; E356-L380 HydrophobicContact CB-CD1 4.47Å |
| 357 | I | 61.2 | Low | 58.9 | Low | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.8 | -38.9 | 175.3 | -67 | 175.8 | 0 | 0 | 0 | 110.7 | S353 L354 L360 T361 L380 L383 L384 | S353-I357 PolarHBondContact O-N 3.36Å; L354-I357 HydrophobicContact CD2-CD1 4.18Å; I357-L360 VanDerWaalsContact O-CB 3.31Å; I357-L360 WeakPolarHBondContact O-CB 3.22Å; I357-L360 PolarHBondContact O-N 2.88Å; I357-T361 PolarHBondContact O-N 2.86Å; I357-L380 HydrophobicContact CG1-CD1 3.73Å; I357-L383 HydrophobicContact CD1-CB 4.47Å; I357-L384 HydrophobicContact CB-CD2 4.36Å; I357-L384 HydrophobicContact CD1-CD2 4.08Å; I357-L384 HydrophobicContact CD1-CG 4.49Å; I357-L384 HydrophobicContact CG1-CD2 3.86Å; I357-L384 HydrophobicContact CG1-CG 4.34Å; I357-L384 HydrophobicContact CG2-CD2 3.77Å |
| 358 | H | 57.5 | Low | 58.7 | Low | 30 Ų | 30 | 54.9 Ų | 54.9 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.1 | -35.6 | 177.3 | -173.5 | 40.5 | 0 | 0 | 0 | 113 | R301 E356 L360 T361 D362 | R301-H358 PolarHBondContact NH1-CD2 3.2Å; R301-H358 PolarHBondContact NH2-NE2 3.48Å; E356-H358 PolarHBondContact O-N 2.86Å; H358-L360 PolarHBondContact O-N 2.83Å; H358-T361 PolarHBondContact ND1-OG1 2.89Å; H358-T361 VanDerWaalsContact ND1-OG1 3.07Å; H358-T361 PolarHBondContact O-N 3.47Å; H358-T361 PolarHBondContact O-OG1 3.11Å; H358-D362 IonicContact CE1-OD2 3.55Å; H358-D362 PolarHBondContact O-N 3.31Å |
| 359 | A | 58.1 | Low | 58.6 | Low | 15 Ų | 15 | 59.9 Ų | 59.9 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -22.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y220 E356 C363 F370 | Y220-A359 HydrophobicContact CD1-CB 4.49Å; Y220-A359 HydrophobicContact CD2-CB 4.33Å; Y220-A359 HydrophobicContact CG-CB 4.04Å; E356-A359 WeakPolarHBondContact O-CB 3.31Å; E356-A359 PolarHBondContact O-N 3.03Å; A359-C363 WeakPolarHBondContact O-CB 3.14Å; A359-C363 PolarHBondContact O-N 2.86Å; A359-F370 HydrophobicContact CB-CZ 4Å |
| 360 | L | 57 | Low | 58.5 | Low | 39 Ų | 39 | 59.4 Ų | 59.4 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.5 | -42.6 | 170.9 | -45.9 | -169.4 | 0 | 0 | 0 | 111.6 | E356 I357 H358 D362 C363 F370 V374 L380 L384 | E356-L360 PolarHBondContact O-N 3.11Å; I357-L360 VanDerWaalsContact O-CB 3.31Å; I357-L360 WeakPolarHBondContact O-CB 3.22Å; I357-L360 PolarHBondContact O-N 2.88Å; H358-L360 PolarHBondContact O-N 2.83Å; L360-D362 VanDerWaalsContact C-N 3.26Å; L360-D362 PolarHBondContact O-N 3.04Å; L360-C363 WeakPolarHBondContact O-CB 3.48Å; L360-C363 PolarHBondContact O-N 3.26Å; L360-F370 HydrophobicContact CD2-CE1 4.01Å; L360-F370 HydrophobicContact CD2-CZ 4.2Å; L360-V374 HydrophobicContact CD1-CG1 3.86Å; L360-V374 HydrophobicContact CD2-CB 4.06Å; L360-V374 HydrophobicContact CD2-CG1 3.48Å; L360-V374 VanDerWaalsContact CD2-CG1 3.48Å; L360-V374 HydrophobicContact CD2-CG2 3.4Å; L360-V374 HydrophobicContact CG-CG1 4.3Å; L360-L380 HydrophobicContact CD1-CD2 4.16Å; L360-L380 HydrophobicContact CD1-CG 4.45Å; L360-L380 HydrophobicContact CD2-CD2 4.35Å; L360-L384 HydrophobicContact CD1-CD1 3.93Å; L360-L384 HydrophobicContact CD1-CD2 4.41Å |
| 361 | T | 57.7 | Low | 58.3 | Low | 95 Ų | 95 | 58 Ų | 58 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.4 | -21.3 | -177.3 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | I357 H358 | I357-T361 PolarHBondContact O-N 2.86Å; H358-T361 PolarHBondContact ND1-OG1 2.89Å; H358-T361 VanDerWaalsContact ND1-OG1 3.07Å; H358-T361 PolarHBondContact O-N 3.47Å; H358-T361 PolarHBondContact O-OG1 3.11Å |
| 362 | D | 51.4 | Low | 58.3 | Low | 42 Ų | 42 | 62.6 Ų | 62.6 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 8 | 175.3 | -87.2 | -26.3 | 0 | 0 | 0 | 113.1 | H358 L360 | H358-D362 IonicContact CE1-OD2 3.55Å; H358-D362 PolarHBondContact O-N 3.31Å; L360-D362 VanDerWaalsContact C-N 3.26Å; L360-D362 PolarHBondContact O-N 3.04Å |
| 363 | C | 49.8 | Very low | 58 | Low | 31 Ų | 31 | 64 Ų | 64 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | trans | -76.5 | 150.5 | 179.7 | -162.4 | 0 | 0 | 0 | 0 | 112.4 | A359 L360 F370 L371 | A359-C363 WeakPolarHBondContact O-CB 3.14Å; A359-C363 PolarHBondContact O-N 2.86Å; L360-C363 WeakPolarHBondContact O-CB 3.48Å; L360-C363 PolarHBondContact O-N 3.26Å; C363-F370 HydrophobicContact CB-CE1 4.24Å; C363-F370 WeakPolarHBondContact SG-CD1 3.49Å; C363-L371 HydrophobicContact CB-CD2 4.25Å | ||
| 364 | S | 53.9 | Low | 57.7 | Low | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | trans | -103.7 | 151 | 174.3 | 81.8 | 0 | 0 | 0 | 0 | 111.5 | K366 D367 | S364-K366 PolarHBondContact O-N 2.89Å; S364-D367 PolarHBondContact N-OD2 3.03Å; S364-D367 WeakPolarHBondContact O-CB 3.42Å; S364-D367 PolarHBondContact O-N 3.39Å; S364-D367 PolarHBondContact OG-OD2 2.88Å | ||
| 365 | E | 56.1 | Low | 57.6 | Low | 181 Ų | 181 | 67.3 Ų | 67.3 | 85% | 0.846 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -18.2 | 177.1 | -63 | 178.4 | 159.6 | 0 | 0 | 114 | D367 | E365-D367 VanDerWaalsContact C-N 3.29Å; E365-D367 PolarHBondContact O-N 3.24Å |
| 366 | K | 52.4 | Low | 57.5 | Low | 191 Ų | 191 | 73.9 Ų | 73.9 | 83% | 0.83 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.1 | -179.8 | -61.6 | -175.9 | 179.4 | -179.1 | 0 | 113.4 | S364 L368 | S364-K366 PolarHBondContact O-N 2.89Å; K366-L368 VanDerWaalsContact C-N 3.28Å; K366-L368 PolarHBondContact O-N 2.89Å |
| 367 | D | 56.5 | Low | 57.3 | Low | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | trans | -91.9 | 48.9 | -174.5 | -68.6 | -69.7 | 0 | 0 | 0 | 112.5 | K236 S364 E365 D369 F370 L371 | K236-D367 WeakPolarHBondContact CE-OD1 3.11Å; K236-D367 IonicContact NZ-OD1 2.72Å; K236-D367 PolarHBondContact NZ-OD1 2.92Å; K236-D367 IonicContact NZ-OD2 1.88Å; K236-D367 PolarHBondContact NZ-OD2 2.98Å; S364-D367 PolarHBondContact N-OD2 3.03Å; S364-D367 WeakPolarHBondContact O-CB 3.42Å; S364-D367 PolarHBondContact O-N 3.39Å; S364-D367 PolarHBondContact OG-OD2 2.88Å; E365-D367 VanDerWaalsContact C-N 3.29Å; E365-D367 PolarHBondContact O-N 3.24Å; D367-D369 VanDerWaalsContact C-N 3.3Å; D367-D369 PolarHBondContact O-N 3.45Å; D367-F370 HydrophobicContact CB-CB 4.33Å; D367-F370 PolarHBondContact O-N 2.98Å; D367-L371 WeakPolarHBondContact O-CG 3.48Å; D367-L371 PolarHBondContact O-N 3.47Å | ||
| 368 | L | 57.2 | Low | 57 | Low | 106 Ų | 106 | 82.6 Ų | 82.6 | 56% | 0.555 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -55.7 | -38.4 | -171 | -65.6 | 176 | 0 | 0 | 0 | 113.7 | K366 L371 H372 | K366-L368 VanDerWaalsContact C-N 3.28Å; K366-L368 PolarHBondContact O-N 2.89Å; L368-L371 PolarHBondContact O-N 2.79Å; L368-H372 VanDerWaalsContact O-CB 3.26Å; L368-H372 WeakPolarHBondContact O-CB 3.4Å; L368-H372 PolarHBondContact O-N 3.44Å |
| 369 | D | 57.3 | Low | 56.9 | Low | 143 Ų | 143 | 85.3 Ų | 85.3 | 77% | 0.765 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 177.9 | -62.1 | -26.9 | 0 | 0 | 0 | 112.5 | D367 S373 | D367-D369 VanDerWaalsContact C-N 3.3Å; D367-D369 PolarHBondContact O-N 3.45Å; D369-S373 WeakPolarHBondContact O-CB 3.46Å; D369-S373 PolarHBondContact O-N 3.21Å |
| 370 | F | 59.7 | Low | 56.7 | Low | 59 Ų | 59 | 84.7 Ų | 84.7 | 26% | 0.259 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.4 | -43.9 | 176.7 | 173.2 | -90.8 | 0 | 0 | 0 | 110.5 | A359 L360 C363 D367 S373 V374 | A359-F370 HydrophobicContact CB-CZ 4Å; L360-F370 HydrophobicContact CD2-CE1 4.01Å; L360-F370 HydrophobicContact CD2-CZ 4.2Å; C363-F370 HydrophobicContact CB-CE1 4.24Å; C363-F370 WeakPolarHBondContact SG-CD1 3.49Å; D367-F370 HydrophobicContact CB-CB 4.33Å; D367-F370 PolarHBondContact O-N 2.98Å; F370-S373 PolarHBondContact O-N 3.13Å; F370-V374 HydrophobicContact CD1-CG2 4.2Å; F370-V374 HydrophobicContact CE1-CG2 3.88Å; F370-V374 HydrophobicContact CZ-CG2 4.04Å; F370-V374 WeakPolarHBondContact O-CB 3.3Å; F370-V374 VanDerWaalsContact O-CG2 3.25Å; F370-V374 WeakPolarHBondContact O-CG2 3.38Å; F370-V374 PolarHBondContact O-N 2.94Å |
| 371 | L | 60 | Low | 56.7 | Low | 31 Ų | 31 | 86.6 Ų | 86.6 | 16% | 0.162 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.1 | -69.8 | 172.5 | 0 | 0 | 0 | 111.7 | C363 D367 L368 V374 F375 | C363-L371 HydrophobicContact CB-CD2 4.25Å; D367-L371 WeakPolarHBondContact O-CG 3.48Å; D367-L371 PolarHBondContact O-N 3.47Å; L368-L371 PolarHBondContact O-N 2.79Å; L371-V374 WeakPolarHBondContact O-CB 3.33Å; L371-V374 PolarHBondContact O-N 2.97Å; L371-F375 HydrophobicContact CB-CD2 4.29Å; L371-F375 HydrophobicContact CB-CE2 3.89Å; L371-F375 HydrophobicContact CD2-CZ 4.43Å; L371-F375 WeakPolarHBondContact O-CB 3.38Å; L371-F375 WeakPolarHBondContact O-CD2 3.17Å; L371-F375 WeakPolarHBondContact O-CG 3.17Å; L371-F375 PolarHBondContact O-N 2.89Å |
| 372 | H | 63.8 | Low | 56.6 | Low | 112 Ų | 112 | 86.4 Ų | 86.4 | 52% | 0.519 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 172.3 | -81.7 | -173.9 | 0 | 0 | 0 | 112.3 | L368 V374 F375 Q376 | L368-H372 VanDerWaalsContact O-CB 3.26Å; L368-H372 WeakPolarHBondContact O-CB 3.4Å; L368-H372 PolarHBondContact O-N 3.44Å; H372-V374 PolarHBondContact O-N 3.27Å; H372-F375 PolarHBondContact O-N 3.45Å; H372-Q376 WeakPolarHBondContact O-CB 3.27Å; H372-Q376 WeakPolarHBondContact O-CG 3.26Å; H372-Q376 PolarHBondContact O-N 3.15Å; H372-Q376 VanDerWaalsContact O-N 3.1Å |
| 373 | S | 58.9 | Low | 56.7 | Low | 62 Ų | 62 | 85 Ų | 85 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.9 | -33.1 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 112.5 | D369 F370 | D369-S373 WeakPolarHBondContact O-CB 3.46Å; D369-S373 PolarHBondContact O-N 3.21Å; F370-S373 PolarHBondContact O-N 3.13Å |
| 374 | V | 56.4 | Low | 56.8 | Low | 4 Ų | 4 | 86.1 Ų | 86.1 | 2% | 0.024 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -72.9 | -47.8 | 175.2 | 160.1 | 0 | 0 | 0 | 0 | 111.9 | R225 L360 F370 L371 H372 Q376 D377 L380 | R225-V374 VanDerWaalsContact NH2-CG2 3.29Å; L360-V374 HydrophobicContact CD1-CG1 3.86Å; L360-V374 HydrophobicContact CD2-CB 4.06Å; L360-V374 HydrophobicContact CD2-CG1 3.48Å; L360-V374 VanDerWaalsContact CD2-CG1 3.48Å; L360-V374 HydrophobicContact CD2-CG2 3.4Å; L360-V374 HydrophobicContact CG-CG1 4.3Å; F370-V374 HydrophobicContact CD1-CG2 4.2Å; F370-V374 HydrophobicContact CE1-CG2 3.88Å; F370-V374 HydrophobicContact CZ-CG2 4.04Å; F370-V374 WeakPolarHBondContact O-CB 3.3Å; F370-V374 VanDerWaalsContact O-CG2 3.25Å; F370-V374 WeakPolarHBondContact O-CG2 3.38Å; F370-V374 PolarHBondContact O-N 2.94Å; L371-V374 WeakPolarHBondContact O-CB 3.33Å; L371-V374 PolarHBondContact O-N 2.97Å; H372-V374 PolarHBondContact O-N 3.27Å; V374-Q376 PolarHBondContact O-N 3.29Å; V374-D377 WeakPolarHBondContact O-CB 3.23Å; V374-D377 PolarHBondContact O-N 3.39Å; V374-L380 HydrophobicContact CB-CD2 4.35Å; V374-L380 HydrophobicContact CG1-CD2 3.88Å; V374-L380 HydrophobicContact CG2-CD2 4.19Å |
| 375 | F | 60.3 | Low | 56.8 | Low | 131 Ų | 131 | 87.8 Ų | 87.8 | 58% | 0.575 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.5 | -14 | -177.8 | -64.4 | -43.4 | 0 | 0 | 0 | 113.6 | L371 H372 H381 | L371-F375 HydrophobicContact CB-CD2 4.29Å; L371-F375 HydrophobicContact CB-CE2 3.89Å; L371-F375 HydrophobicContact CD2-CZ 4.43Å; L371-F375 WeakPolarHBondContact O-CB 3.38Å; L371-F375 WeakPolarHBondContact O-CD2 3.17Å; L371-F375 WeakPolarHBondContact O-CG 3.17Å; L371-F375 PolarHBondContact O-N 2.89Å; H372-F375 PolarHBondContact O-N 3.45Å; F375-H381 PolarHBondContact O-CE1 3.32Å; F375-H381 PolarHBondContact O-NE2 3.21Å |
| 376 | Q | 61.3 | Low | 56.5 | Low | 164 Ų | 164 | 83.4 Ų | 83.4 | 77% | 0.766 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -9 | 170.6 | -69 | 178.7 | -0.2 | 0 | 0 | 112.8 | H372 V374 Q378 | H372-Q376 WeakPolarHBondContact O-CB 3.27Å; H372-Q376 WeakPolarHBondContact O-CG 3.26Å; H372-Q376 PolarHBondContact O-N 3.15Å; H372-Q376 VanDerWaalsContact O-N 3.1Å; V374-Q376 PolarHBondContact O-N 3.29Å; Q376-Q378 PolarHBondContact O-N 3.28Å |
| 377 | D | 57 | Low | 56.3 | Low | 42 Ų | 42 | 79.9 Ų | 79.9 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | trans | -83.5 | 96.1 | -178.1 | -169.7 | -26.9 | 0 | 0 | 0 | 111.5 | V374 H379 L380 H381 | V374-D377 WeakPolarHBondContact O-CB 3.23Å; V374-D377 PolarHBondContact O-N 3.39Å; D377-H379 PolarHBondContact O-N 2.85Å; D377-H379 WeakPolarHBondContact OD1-CA 3.19Å; D377-H379 VanDerWaalsContact OD1-CB 3.32Å; D377-H379 WeakPolarHBondContact OD1-CB 3.42Å; D377-H379 PolarHBondContact OD1-N 2.94Å; D377-L380 HydrophobicContact CB-CB 3.78Å; D377-L380 HydrophobicContact CB-CD2 4.37Å; D377-L380 VanDerWaalsContact CG-CB 3.47Å; D377-L380 PolarHBondContact O-N 2.95Å; D377-L380 PolarHBondContact OD1-N 2.96Å; D377-H381 PolarHBondContact O-CD2 3.41Å; D377-H381 PolarHBondContact O-N 3.35Å | ||
| 378 | Q | 55.8 | Low | 55.8 | Low | 160 Ų | 160 | 82.3 Ų | 82.3 | 75% | 0.748 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.5 | -20.9 | -179.8 | -159.1 | 164 | 10.7 | 0 | 0 | 113.3 | Q376 T382 | Q376-Q378 PolarHBondContact O-N 3.28Å; Q378-T382 PolarHBondContact O-N 3.16Å; Q378-T382 PolarHBondContact O-OG1 2.85Å |
| 379 | H | 53.8 | Low | 55.5 | Low | 88 Ų | 88 | 82.1 Ų | 82.1 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -76.3 | -46.8 | 173.8 | -170.3 | 73.2 | 0 | 0 | 0 | 110.1 | D377 H381 T382 L383 | D377-H379 PolarHBondContact O-N 2.85Å; D377-H379 WeakPolarHBondContact OD1-CA 3.19Å; D377-H379 VanDerWaalsContact OD1-CB 3.32Å; D377-H379 WeakPolarHBondContact OD1-CB 3.42Å; D377-H379 PolarHBondContact OD1-N 2.94Å; H379-H381 VanDerWaalsContact C-N 3.33Å; H379-H381 PolarHBondContact O-N 2.92Å; H379-T382 WeakPolarHBondContact O-CB 3.28Å; H379-T382 PolarHBondContact O-N 2.87Å; H379-T382 VanDerWaalsContact O-N 3.13Å; H379-L383 WeakPolarHBondContact O-CG 3.24Å; H379-L383 PolarHBondContact O-N 2.87Å |
| 380 | L | 54.5 | Low | 55 | Low | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 173.8 | -177 | 55.2 | 0 | 0 | 0 | 111.9 | E356 I357 L360 V374 D377 T382 L383 L384 | E356-L380 HydrophobicContact CB-CD1 4.47Å; I357-L380 HydrophobicContact CG1-CD1 3.73Å; L360-L380 HydrophobicContact CD1-CD2 4.16Å; L360-L380 HydrophobicContact CD1-CG 4.45Å; L360-L380 HydrophobicContact CD2-CD2 4.35Å; V374-L380 HydrophobicContact CB-CD2 4.35Å; V374-L380 HydrophobicContact CG1-CD2 3.88Å; V374-L380 HydrophobicContact CG2-CD2 4.19Å; D377-L380 HydrophobicContact CB-CB 3.78Å; D377-L380 HydrophobicContact CB-CD2 4.37Å; D377-L380 VanDerWaalsContact CG-CB 3.47Å; D377-L380 PolarHBondContact O-N 2.95Å; D377-L380 PolarHBondContact OD1-N 2.96Å; L380-T382 PolarHBondContact O-N 3.4Å; L380-L383 PolarHBondContact O-N 3.3Å; L380-L384 HydrophobicContact CD1-CD1 4.45Å; L380-L384 HydrophobicContact CD1-CG 4.39Å; L380-L384 HydrophobicContact CG-CD1 4.19Å; L380-L384 WeakPolarHBondContact O-CB 3.5Å; L380-L384 VanDerWaalsContact O-CG 3.27Å; L380-L384 WeakPolarHBondContact O-CG 3.44Å; L380-L384 PolarHBondContact O-N 2.87Å |
| 381 | H | 56.7 | Low | 54.1 | Low | 80 Ų | 80 | 81.6 Ų | 81.6 | 37% | 0.37 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 172 | -74.1 | -167.1 | 0 | 0 | 0 | 111.9 | F375 D377 H379 L383 L384 D385 | F375-H381 PolarHBondContact O-CE1 3.32Å; F375-H381 PolarHBondContact O-NE2 3.21Å; D377-H381 PolarHBondContact O-CD2 3.41Å; D377-H381 PolarHBondContact O-N 3.35Å; H379-H381 VanDerWaalsContact C-N 3.33Å; H379-H381 PolarHBondContact O-N 2.92Å; H381-L383 VanDerWaalsContact C-N 3.28Å; H381-L383 PolarHBondContact O-N 2.86Å; H381-L384 PolarHBondContact O-N 2.75Å; H381-D385 WeakPolarHBondContact O-CB 3.32Å; H381-D385 PolarHBondContact O-N 2.59Å |
| 382 | T | 56.8 | Low | 53.3 | Low | 90 Ų | 90 | 84.2 Ų | 84.2 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.6 | -37.5 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | Q378 H379 L380 L386 | Q378-T382 PolarHBondContact O-N 3.16Å; Q378-T382 PolarHBondContact O-OG1 2.85Å; H379-T382 WeakPolarHBondContact O-CB 3.28Å; H379-T382 PolarHBondContact O-N 2.87Å; H379-T382 VanDerWaalsContact O-N 3.13Å; L380-T382 PolarHBondContact O-N 3.4Å; T382-L386 WeakPolarHBondContact O-CB 3.4Å; T382-L386 PolarHBondContact O-N 3.25Å |
| 383 | L | 52.3 | Low | 52.1 | Low | 14 Ų | 14 | 86.3 Ų | 86.3 | 7% | 0.073 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74 | -35.2 | 177.3 | -71.5 | 168.7 | 0 | 0 | 0 | 113.5 | V350 I357 H379 L380 H381 L386 Y387 | V350-L383 HydrophobicContact CG1-CD2 4.04Å; I357-L383 HydrophobicContact CD1-CB 4.47Å; H379-L383 WeakPolarHBondContact O-CG 3.24Å; H379-L383 PolarHBondContact O-N 2.87Å; L380-L383 PolarHBondContact O-N 3.3Å; H381-L383 VanDerWaalsContact C-N 3.28Å; H381-L383 PolarHBondContact O-N 2.86Å; L383-L386 PolarHBondContact O-N 2.98Å; L383-Y387 VanDerWaalsContact O-CB 3.23Å; L383-Y387 WeakPolarHBondContact O-CB 3.27Å; L383-Y387 PolarHBondContact O-N 3.28Å |
| 384 | L | 51.6 | Low | 51.2 | Low | 54 Ų | 54 | 88.5 Ų | 88.5 | 28% | 0.283 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 171.4 | -74.1 | 166.6 | 0 | 0 | 0 | 110.7 | I357 L360 L380 H381 L386 Y387 D388 | I357-L384 HydrophobicContact CB-CD2 4.36Å; I357-L384 HydrophobicContact CD1-CD2 4.08Å; I357-L384 HydrophobicContact CD1-CG 4.49Å; I357-L384 HydrophobicContact CG1-CD2 3.86Å; I357-L384 HydrophobicContact CG1-CG 4.34Å; I357-L384 HydrophobicContact CG2-CD2 3.77Å; L360-L384 HydrophobicContact CD1-CD1 3.93Å; L360-L384 HydrophobicContact CD1-CD2 4.41Å; L380-L384 HydrophobicContact CD1-CD1 4.45Å; L380-L384 HydrophobicContact CD1-CG 4.39Å; L380-L384 HydrophobicContact CG-CD1 4.19Å; L380-L384 WeakPolarHBondContact O-CB 3.5Å; L380-L384 VanDerWaalsContact O-CG 3.27Å; L380-L384 WeakPolarHBondContact O-CG 3.44Å; L380-L384 PolarHBondContact O-N 2.87Å; H381-L384 PolarHBondContact O-N 2.75Å; L384-L386 VanDerWaalsContact C-N 3.3Å; L384-L386 PolarHBondContact O-N 3.35Å; L384-Y387 PolarHBondContact O-N 2.86Å; L384-D388 WeakPolarHBondContact O-CB 3.45Å; L384-D388 PolarHBondContact O-N 2.85Å |
| 385 | D | 53.8 | Low | 50.4 | Low | 90 Ų | 90 | 93.7 Ų | 93.7 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 174 | -124.2 | 49.6 | 0 | 0 | 0 | 111.7 | H381 K389 | H381-D385 WeakPolarHBondContact O-CB 3.32Å; H381-D385 PolarHBondContact O-N 2.59Å; D385-K389 VanDerWaalsContact O-CB 3.32Å; D385-K389 WeakPolarHBondContact O-CB 3.19Å; D385-K389 VanDerWaalsContact O-CD 3.22Å; D385-K389 WeakPolarHBondContact O-CD 3.33Å; D385-K389 WeakPolarHBondContact O-CG 3.16Å; D385-K389 PolarHBondContact O-N 2.7Å; D385-K389 WeakPolarHBondContact OD2-CE 3.36Å; D385-K389 IonicContact OD2-NZ 3.59Å; D385-K389 PolarHBondContact OD2-NZ 2.77Å |
| 386 | L | 50.6 | Low | 49.6 | Very low | 90 Ų | 90 | 93.6 Ų | 93.6 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.7 | -45.1 | 175.2 | -179.2 | 63.2 | 0 | 0 | 0 | 111.6 | T382 L383 L384 D388 K389 I390 | T382-L386 WeakPolarHBondContact O-CB 3.4Å; T382-L386 PolarHBondContact O-N 3.25Å; L383-L386 PolarHBondContact O-N 2.98Å; L384-L386 VanDerWaalsContact C-N 3.3Å; L384-L386 PolarHBondContact O-N 3.35Å; L386-D388 PolarHBondContact O-N 3.05Å; L386-K389 PolarHBondContact O-N 3.28Å; L386-I390 HydrophobicContact CD1-CD1 4.04Å; L386-I390 HydrophobicContact CD1-CG1 4.39Å; L386-I390 HydrophobicContact CG-CD1 3.88Å; L386-I390 WeakPolarHBondContact O-CB 3.3Å; L386-I390 VanDerWaalsContact O-CG1 3.25Å; L386-I390 WeakPolarHBondContact O-CG1 3.43Å; L386-I390 PolarHBondContact O-N 3.33Å |
| 387 | Y | 47.3 | Very low | 48.6 | Very low | 116 Ų | 116 | 92.7 Ų | 92.7 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.1 | 177 | -91.7 | 0 | 0 | 0 | 111.3 | L383 L384 I390 N391 | L383-Y387 VanDerWaalsContact O-CB 3.23Å; L383-Y387 WeakPolarHBondContact O-CB 3.27Å; L383-Y387 PolarHBondContact O-N 3.28Å; L384-Y387 PolarHBondContact O-N 2.86Å; Y387-I390 PolarHBondContact O-N 2.92Å; Y387-N391 WeakPolarHBondContact CD2-ND2 3.39Å; Y387-N391 VanDerWaalsContact CE1-ND2 3.31Å; Y387-N391 WeakPolarHBondContact CE1-ND2 3.45Å; Y387-N391 VanDerWaalsContact CE2-ND2 3.3Å; Y387-N391 WeakPolarHBondContact CE2-ND2 3.26Å; Y387-N391 WeakPolarHBondContact O-CB 3.43Å; Y387-N391 PolarHBondContact O-N 2.84Å; Y387-N391 PolarHBondContact O-ND2 2.8Å |
| 388 | D | 47.7 | Very low | 48.1 | Very low | 92 Ų | 92 | 95.7 Ų | 95.7 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 175.8 | -169.8 | 59.3 | 0 | 0 | 0 | 111.2 | L384 L386 I390 N391 T392 | L384-D388 WeakPolarHBondContact O-CB 3.45Å; L384-D388 PolarHBondContact O-N 2.85Å; L386-D388 PolarHBondContact O-N 3.05Å; D388-I390 VanDerWaalsContact C-N 3.26Å; D388-I390 PolarHBondContact O-N 3.2Å; D388-N391 PolarHBondContact O-N 2.97Å; D388-N391 VanDerWaalsContact O-N 3.14Å; D388-T392 WeakPolarHBondContact O-CB 3.43Å; D388-T392 VanDerWaalsContact O-CG2 3.3Å; D388-T392 WeakPolarHBondContact O-CG2 3.42Å; D388-T392 PolarHBondContact O-N 2.72Å; D388-T392 PolarHBondContact O-OG1 2.96Å; D388-T392 WeakPolarHBondContact OD1-CG2 3.44Å |
| 389 | K | 50 | Low | 47.9 | Very low | 101 Ų | 101 | 96.7 Ų | 96.7 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -33.4 | 174.2 | -74.8 | 162.9 | -163 | 160.2 | 0 | 113.3 | D385 L386 K393 | D385-K389 VanDerWaalsContact O-CB 3.32Å; D385-K389 WeakPolarHBondContact O-CB 3.19Å; D385-K389 VanDerWaalsContact O-CD 3.22Å; D385-K389 WeakPolarHBondContact O-CD 3.33Å; D385-K389 WeakPolarHBondContact O-CG 3.16Å; D385-K389 PolarHBondContact O-N 2.7Å; D385-K389 WeakPolarHBondContact OD2-CE 3.36Å; D385-K389 IonicContact OD2-NZ 3.59Å; D385-K389 PolarHBondContact OD2-NZ 2.77Å; L386-K389 PolarHBondContact O-N 3.28Å; K389-K393 VanDerWaalsContact O-CB 3.23Å; K389-K393 WeakPolarHBondContact O-CB 3.35Å; K389-K393 VanDerWaalsContact O-CG 3.26Å; K389-K393 WeakPolarHBondContact O-CG 3.48Å; K389-K393 PolarHBondContact O-N 2.97Å |
| 390 | I | 47.8 | Very low | 47.9 | Very low | 114 Ų | 114 | 97.6 Ų | 97.6 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -74.1 | -41.3 | 174.9 | -70.9 | 166.7 | 0 | 0 | 0 | 111.1 | L386 Y387 D388 | L386-I390 HydrophobicContact CD1-CD1 4.04Å; L386-I390 HydrophobicContact CD1-CG1 4.39Å; L386-I390 HydrophobicContact CG-CD1 3.88Å; L386-I390 WeakPolarHBondContact O-CB 3.3Å; L386-I390 VanDerWaalsContact O-CG1 3.25Å; L386-I390 WeakPolarHBondContact O-CG1 3.43Å; L386-I390 PolarHBondContact O-N 3.33Å; Y387-I390 PolarHBondContact O-N 2.92Å; D388-I390 VanDerWaalsContact C-N 3.26Å; D388-I390 PolarHBondContact O-N 3.2Å |
| 391 | N | 40.7 | Very low | 48.3 | Very low | 77 Ų | 77 | 99 Ų | 99 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79 | -27.2 | -177.4 | -79.3 | -74.8 | 0 | 0 | 0 | 114.2 | Y387 D388 | Y387-N391 WeakPolarHBondContact CD2-ND2 3.39Å; Y387-N391 VanDerWaalsContact CE1-ND2 3.31Å; Y387-N391 WeakPolarHBondContact CE1-ND2 3.45Å; Y387-N391 VanDerWaalsContact CE2-ND2 3.3Å; Y387-N391 WeakPolarHBondContact CE2-ND2 3.26Å; Y387-N391 WeakPolarHBondContact O-CB 3.43Å; Y387-N391 PolarHBondContact O-N 2.84Å; Y387-N391 PolarHBondContact O-ND2 2.8Å; D388-N391 PolarHBondContact O-N 2.97Å; D388-N391 VanDerWaalsContact O-N 3.14Å |
| 392 | T | 41.6 | Very low | 49.1 | Very low | 87 Ų | 87 | 98.8 Ų | 98.8 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -86.6 | -31.9 | 178.4 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | D388 S394 | D388-T392 WeakPolarHBondContact O-CB 3.43Å; D388-T392 VanDerWaalsContact O-CG2 3.3Å; D388-T392 WeakPolarHBondContact O-CG2 3.42Å; D388-T392 PolarHBondContact O-N 2.72Å; D388-T392 PolarHBondContact O-OG1 2.96Å; D388-T392 WeakPolarHBondContact OD1-CG2 3.44Å; T392-S394 PolarHBondContact O-N 2.98Å |
| 393 | K | 39.8 | Very low | 50.2 | Low | 156 Ų | 156 | 96.8 Ų | 96.8 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | trans | -85.2 | 91.6 | 175.3 | -67.1 | -178.6 | 176.8 | -177.8 | 0 | 111.7 | K389 | K389-K393 VanDerWaalsContact O-CB 3.23Å; K389-K393 WeakPolarHBondContact O-CB 3.35Å; K389-K393 VanDerWaalsContact O-CG 3.26Å; K389-K393 WeakPolarHBondContact O-CG 3.48Å; K389-K393 PolarHBondContact O-N 2.97Å | ||
| 394 | S | 38.7 | Very low | 51.6 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 75% | 0.748 | 52% | 0.516 | S | S | * | . | trans | -88.3 | 106.5 | 164.7 | 46.8 | 0 | 0 | 0 | 0 | 111 | T392 P396 | T392-S394 PolarHBondContact O-N 2.98Å; S394-P396 WeakPolarHBondContact O-CD 3.14Å | ||
| 395 | T | 40.9 | Very low | 53.2 | Low | 114 Ų | 114 | 96.4 Ų | 96.4 | 70% | 0.699 | 51% | 0.509 | S | S | * | . | trans | -74.5 | 119.1 | 168.8 | 8.5 | 0 | 0 | 0 | 0 | 109.2 | Q397 | T395-Q397 PolarHBondContact O-N 3.32Å; T395-Q397 VanDerWaalsContact O-N 3.1Å | ||
| 396 | P | 42.3 | Very low | 54.3 | Low | 129 Ų | 129 | 92.5 Ų | 92.5 | 84% | 0.838 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -73.7 | -5.9 | -166.6 | -21.2 | 34.1 | 0 | 0 | 0 | 116.3 | S394 | S394-P396 WeakPolarHBondContact O-CD 3.14Š|
| 397 | Q | 42 | Very low | 55.8 | Low | 144 Ų | 144 | 92.1 Ų | 92.1 | 67% | 0.673 | 48% | 0.484 | S | S | * | . | trans | -149.1 | 106.7 | -176.1 | -66.3 | -175.4 | 1.7 | 0 | 0 | 110.4 | T395 | T395-Q397 PolarHBondContact O-N 3.32Å; T395-Q397 VanDerWaalsContact O-N 3.1Å | ||
| 398 | I | 44.6 | Very low | 57.6 | Low | 106 Ų | 106 | 92.8 Ų | 92.8 | 54% | 0.544 | 49% | 0.486 | S | S | . | . | trans | -102.2 | 100.8 | 155.4 | -58.5 | 179.5 | 0 | 0 | 0 | 105.5 | P401 | I398-P401 HydrophobicContact CG2-CG 4.13Š| ||
| 399 | R | 51.6 | Low | 59.3 | Low | 181 Ų | 181 | 89.1 Ų | 89.1 | 68% | 0.683 | 47% | 0.468 | S | S | * | . | trans | -67.4 | 152.8 | 151.4 | -60.4 | -174.1 | -170.6 | -169.4 | 6.8 | 106.3 | P401 | R399-P401 VanDerWaalsContact O-CD 3.29Å; R399-P401 WeakPolarHBondContact O-CD 3.46Å | ||
| 400 | N | 53.8 | Low | 60.8 | Low | 107 Ų | 107 | 87.8 Ų | 87.8 | 57% | 0.572 | 46% | 0.462 | S | S | * | . | trans | -43.9 | 112.8 | 169.9 | -61.1 | 15.5 | 0 | 0 | 0 | 108.1 | Y452 | N400-Y452 PolarHBondContact ND2-O 3.06Š| ||
| 401 | P | 64.8 | Low | 62.8 | Low | 30 Ų | 30 | 86.7 Ų | 86.7 | 20% | 0.195 | 46% | 0.455 | C | S | . | . | trans | -66.1 | 145.4 | -177.3 | -9.2 | 21.9 | 0 | 0 | 0 | 107.8 | I398 R399 S403 H444 A448 | I398-P401 HydrophobicContact CG2-CG 4.13Å; R399-P401 VanDerWaalsContact O-CD 3.29Å; R399-P401 WeakPolarHBondContact O-CD 3.46Å; P401-S403 PolarHBondContact O-N 3.29Å; P401-H444 WeakPolarHBondContact CB-NE2 3.33Å; P401-A448 HydrophobicContact CB-CB 3.87Å; P401-A448 HydrophobicContact CG-CB 4.09Å; P401-A448 WeakPolarHBondContact O-CB 3.38Å | ||
| 402 | P | 72.3 | Confident | 65 | Low | 76 Ų | 76 | 85.8 Ų | 85.8 | 49% | 0.494 | 45% | 0.452 | S | S | . | . | trans | -67.8 | 133.9 | 168.6 | 31.8 | -34 | 0 | 0 | 0 | 108.4 | D404 H444 | P402-D404 WeakPolarHBondContact CB-OD1 3.37Å; P402-D404 WeakPolarHBondContact CG-OD1 3.45Å; P402-D404 PolarHBondContact O-N 3.18Å; P402-H444 PolarHBondContact O-CE1 2.85Å; P402-H444 VanDerWaalsContact O-CE1 3.31Å | ||
| 403 | S | 79.2 | Confident | 67.1 | Low | 47 Ų | 47 | 83.7 Ų | 83.7 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 44.8 | 175.2 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | P401 D445 | P401-S403 PolarHBondContact O-N 3.29Å; S403-D445 VanDerWaalsContact C-CG 3.45Å; S403-D445 WeakPolarHBondContact CB-O 3.09Å |
| 404 | D | 83.4 | Confident | 69.4 | Low | 44 Ų | 44 | 82.8 Ų | 82.8 | 24% | 0.235 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 9.4 | -172.9 | 74.7 | 1.8 | 0 | 0 | 0 | 114.3 | P402 V406 Q407 R408 D445 | P402-D404 WeakPolarHBondContact CB-OD1 3.37Å; P402-D404 WeakPolarHBondContact CG-OD1 3.45Å; P402-D404 PolarHBondContact O-N 3.18Å; D404-V406 VanDerWaalsContact C-N 3.33Å; D404-V406 PolarHBondContact O-N 3.46Å; D404-Q407 PolarHBondContact O-N 3.47Å; D404-Q407 VanDerWaalsContact O-N 3.09Å; D404-R408 WeakPolarHBondContact O-CG 3.18Å; D404-R408 PolarHBondContact O-N 2.88Å; D404-R408 WeakPolarHBondContact OD1-CD 3.24Å; D404-R408 IonicContact OD1-CZ 2.67Å; D404-R408 IonicContact OD1-NE 3.95Å; D404-R408 PolarHBondContact OD1-NE 2.8Å; D404-R408 IonicContact OD1-NH2 2.75Å; D404-R408 IonicContact OD2-CZ 2.8Å; D404-R408 IonicContact OD2-NE 3.3Å; D404-R408 PolarHBondContact OD2-NE 3.16Å; D404-R408 IonicContact OD2-NH2 2.72Å; D404-R408 PolarHBondContact OD2-NH2 3.19Å; D404-D445 PolarHBondContact N-OD1 2.85Å |
| 405 | A | 83.7 | Confident | 71.8 | Confident | 17 Ų | 17 | 83.5 Ų | 83.5 | 14% | 0.14 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.1 | -35.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A409 L441 D445 | A405-A409 WeakPolarHBondContact O-CB 3.43Å; A405-A409 PolarHBondContact O-N 2.98Å; A405-L441 HydrophobicContact CB-CD2 4.04Å; A405-D445 WeakPolarHBondContact CB-OD1 3.26Å; A405-D445 VanDerWaalsContact N-CG 3.3Å; A405-D445 PolarHBondContact N-OD1 3.46Å; A405-D445 PolarHBondContact N-OD2 2.95Å |
| 406 | V | 77.4 | Confident | 74.1 | Confident | 7 Ų | 7 | 79.1 Ų | 79.1 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 171.5 | 171.6 | 0 | 0 | 0 | 0 | 111 | Y321 D404 A409 K410 L441 Q442 D445 | Y321-V406 VanDerWaalsContact OH-CG1 3.25Å; Y321-V406 WeakPolarHBondContact OH-CG1 3.39Å; D404-V406 VanDerWaalsContact C-N 3.33Å; D404-V406 PolarHBondContact O-N 3.46Å; V406-A409 PolarHBondContact O-N 3.05Å; V406-K410 PolarHBondContact O-N 3.12Å; V406-K410 VanDerWaalsContact O-N 3.1Å; V406-L441 HydrophobicContact CG2-CB 3.88Å; V406-Q442 HydrophobicContact CG2-CG 4.11Å; V406-D445 WeakPolarHBondContact CB-OD2 3.41Å; V406-D445 WeakPolarHBondContact CG2-OD2 3.22Å; V406-D445 PolarHBondContact N-OD2 2.92Å |
| 407 | Q | 81.3 | Confident | 76.1 | Confident | 82 Ų | 82 | 75.9 Ų | 75.9 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 179.6 | 177.5 | 54 | 32.8 | 0 | 0 | 111.2 | D404 A409 K410 E411 | D404-Q407 PolarHBondContact O-N 3.47Å; D404-Q407 VanDerWaalsContact O-N 3.09Å; Q407-A409 VanDerWaalsContact C-N 3.31Å; Q407-A409 PolarHBondContact O-N 2.99Å; Q407-K410 WeakPolarHBondContact O-CB 3.17Å; Q407-K410 PolarHBondContact O-N 3.12Å; Q407-K410 VanDerWaalsContact O-N 3.12Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.43Å; Q407-E411 PolarHBondContact NE2-OE1 3.07Å; Q407-E411 PolarHBondContact O-N 3.49Å |
| 408 | R | 85.9 | Confident | 78.3 | Confident | 131 Ų | 131 | 73.2 Ų | 73.2 | 49% | 0.494 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -38 | 172.6 | -70.3 | 178.1 | -175.7 | -66.3 | -15.8 | 112.7 | D404 K410 E411 V412 | D404-R408 WeakPolarHBondContact O-CG 3.18Å; D404-R408 PolarHBondContact O-N 2.88Å; D404-R408 WeakPolarHBondContact OD1-CD 3.24Å; D404-R408 IonicContact OD1-CZ 2.67Å; D404-R408 IonicContact OD1-NE 3.95Å; D404-R408 PolarHBondContact OD1-NE 2.8Å; D404-R408 IonicContact OD1-NH2 2.75Å; D404-R408 IonicContact OD2-CZ 2.8Å; D404-R408 IonicContact OD2-NE 3.3Å; D404-R408 PolarHBondContact OD2-NE 3.16Å; D404-R408 IonicContact OD2-NH2 2.72Å; D404-R408 PolarHBondContact OD2-NH2 3.19Å; R408-K410 VanDerWaalsContact C-N 3.33Å; R408-E411 PolarHBondContact O-N 3.07Å; R408-V412 VanDerWaalsContact O-CG2 3.3Å; R408-V412 WeakPolarHBondContact O-CG2 3.29Å; R408-V412 PolarHBondContact O-N 3.43Å |
| 409 | A | 84.2 | Confident | 80.3 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 12% | 0.116 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A405 V406 Q407 L413 L432 L441 | A405-A409 WeakPolarHBondContact O-CB 3.43Å; A405-A409 PolarHBondContact O-N 2.98Å; V406-A409 PolarHBondContact O-N 3.05Å; Q407-A409 VanDerWaalsContact C-N 3.31Å; Q407-A409 PolarHBondContact O-N 2.99Å; A409-L413 WeakPolarHBondContact O-CB 3.39Å; A409-L413 VanDerWaalsContact O-CG 3.23Å; A409-L413 WeakPolarHBondContact O-CG 3.34Å; A409-L413 PolarHBondContact O-N 3.37Å; A409-L432 HydrophobicContact CB-CD2 4.23Å; A409-L441 HydrophobicContact CB-CD1 3.67Å |
| 410 | K | 81.5 | Confident | 81.5 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 32% | 0.317 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 172 | -66.9 | 177 | -177 | 178.2 | 0 | 111.6 | F320 V406 Q407 R408 V412 L413 E414 | F320-K410 PolarHBondContact O-NZ 3.16Å; V406-K410 PolarHBondContact O-N 3.12Å; V406-K410 VanDerWaalsContact O-N 3.1Å; Q407-K410 WeakPolarHBondContact O-CB 3.17Å; Q407-K410 PolarHBondContact O-N 3.12Å; Q407-K410 VanDerWaalsContact O-N 3.12Å; R408-K410 VanDerWaalsContact C-N 3.33Å; K410-V412 VanDerWaalsContact C-N 3.3Å; K410-V412 PolarHBondContact O-N 3.33Å; K410-L413 WeakPolarHBondContact O-CB 3.4Å; K410-L413 PolarHBondContact O-N 3.07Å; K410-E414 PolarHBondContact O-N 3.17Å |
| 411 | E | 88.4 | Confident | 82.9 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 176.5 | -70.5 | 163.4 | -166.3 | 0 | 0 | 112.2 | Q407 R408 E414 E415 | Q407-E411 WeakPolarHBondContact CG-OE1 3.43Å; Q407-E411 PolarHBondContact NE2-OE1 3.07Å; Q407-E411 PolarHBondContact O-N 3.49Å; R408-E411 PolarHBondContact O-N 3.07Å; E411-E414 PolarHBondContact O-N 2.93Å; E411-E415 WeakPolarHBondContact O-CB 3.41Å; E411-E415 PolarHBondContact O-N 3.37Å |
| 412 | V | 87.6 | Confident | 84.1 | Confident | 58 Ų | 58 | 75 Ų | 75 | 35% | 0.352 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | R408 K410 E414 E415 I416 L428 L432 | R408-V412 VanDerWaalsContact O-CG2 3.3Å; R408-V412 WeakPolarHBondContact O-CG2 3.29Å; R408-V412 PolarHBondContact O-N 3.43Å; K410-V412 VanDerWaalsContact C-N 3.3Å; K410-V412 PolarHBondContact O-N 3.33Å; V412-E414 VanDerWaalsContact C-N 3.32Å; V412-E414 PolarHBondContact O-N 3.06Å; V412-E415 PolarHBondContact O-N 2.98Å; V412-I416 HydrophobicContact CG1-CG2 4.36Å; V412-I416 VanDerWaalsContact O-CG1 3.29Å; V412-I416 WeakPolarHBondContact O-CG1 3.48Å; V412-I416 WeakPolarHBondContact O-CG2 3.38Å; V412-I416 PolarHBondContact O-N 3.19Å; V412-L428 HydrophobicContact CG1-CD2 3.87Å; V412-L428 HydrophobicContact CG1-CG 4.48Å; V412-L432 HydrophobicContact CB-CD1 4.11Å; V412-L432 HydrophobicContact CG1-CD1 3.59Å |
| 413 | L | 85.8 | Confident | 85 | Confident | 43 Ų | 43 | 79 Ų | 79 | 23% | 0.225 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 176.2 | -77.2 | 173.9 | 0 | 0 | 0 | 112.5 | A409 K410 I416 S417 R429 L432 T433 | A409-L413 WeakPolarHBondContact O-CB 3.39Å; A409-L413 VanDerWaalsContact O-CG 3.23Å; A409-L413 WeakPolarHBondContact O-CG 3.34Å; A409-L413 PolarHBondContact O-N 3.37Å; K410-L413 WeakPolarHBondContact O-CB 3.4Å; K410-L413 PolarHBondContact O-N 3.07Å; L413-I416 HydrophobicContact CD2-CD1 4.19Å; L413-S417 PolarHBondContact O-N 2.87Å; L413-R429 HydrophobicContact CD2-CB 4.22Å; L413-R429 HydrophobicContact CD2-CG 3.85Å; L413-L432 HydrophobicContact CD1-CB 4.27Å; L413-L432 HydrophobicContact CD2-CB 3.88Å; L413-L432 HydrophobicContact CD2-CD1 4.18Å; L413-L432 HydrophobicContact CG-CB 4.09Å; L413-L432 HydrophobicContact CG-CD1 4.14Å; L413-T433 HydrophobicContact CD1-CG2 4.11Å; L413-T433 HydrophobicContact CD2-CG2 4.09Å |
| 414 | E | 87.9 | Confident | 85.5 | Confident | 137 Ų | 137 | 82.9 Ų | 82.9 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.7 | -49.4 | 173.3 | -72.5 | 177 | -175.1 | 0 | 0 | 111.5 | K410 E411 V412 I416 S417 | K410-E414 PolarHBondContact O-N 3.17Å; E411-E414 PolarHBondContact O-N 2.93Å; V412-E414 VanDerWaalsContact C-N 3.32Å; V412-E414 PolarHBondContact O-N 3.06Å; E414-I416 PolarHBondContact O-N 3.11Å; E414-S417 WeakPolarHBondContact O-CB 3.43Å; E414-S417 PolarHBondContact O-N 3.29Å; E414-S417 PolarHBondContact O-OG 3.49Å |
| 415 | E | 89.1 | Confident | 85.6 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.7 | -42 | -179.7 | -174.5 | 63.9 | -154.3 | 0 | 0 | 112.3 | E411 V412 S417 C418 | E411-E415 WeakPolarHBondContact O-CB 3.41Å; E411-E415 PolarHBondContact O-N 3.37Å; V412-E415 PolarHBondContact O-N 2.98Å; E415-S417 PolarHBondContact O-N 2.81Å; E415-C418 PolarHBondContact O-N 2.98Å |
| 416 | I | 88.5 | Confident | 85.5 | Confident | 22 Ų | 22 | 85.3 Ų | 85.3 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -74.6 | -6.6 | 175.4 | 74.8 | -171.9 | 0 | 0 | 0 | 113.3 | V412 L413 E414 C418 Y419 A425 L428 R429 | V412-I416 HydrophobicContact CG1-CG2 4.36Å; V412-I416 VanDerWaalsContact O-CG1 3.29Å; V412-I416 WeakPolarHBondContact O-CG1 3.48Å; V412-I416 WeakPolarHBondContact O-CG2 3.38Å; V412-I416 PolarHBondContact O-N 3.19Å; L413-I416 HydrophobicContact CD2-CD1 4.19Å; E414-I416 PolarHBondContact O-N 3.11Å; I416-C418 PolarHBondContact O-N 2.93Å; I416-Y419 PolarHBondContact O-N 3.26Å; I416-A425 HydrophobicContact CB-CB 4.21Å; I416-L428 HydrophobicContact CD1-CB 4.28Å; I416-L428 HydrophobicContact CD1-CD2 4.34Å; I416-L428 HydrophobicContact CD1-CG 4.18Å; I416-L428 HydrophobicContact CG2-CD2 4.34Å; I416-R429 HydrophobicContact CD1-CB 3.95Å; I416-R429 PolarHBondContact O-NH2 3.2Å |
| 417 | S | 84.6 | Confident | 86 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 43% | 0.427 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -65.4 | -29.4 | 171.8 | 83.4 | 0 | 0 | 0 | 0 | 112.4 | L413 E414 E415 Y419 | L413-S417 PolarHBondContact O-N 2.87Å; E414-S417 WeakPolarHBondContact O-CB 3.43Å; E414-S417 PolarHBondContact O-N 3.29Å; E414-S417 PolarHBondContact O-OG 3.49Å; E415-S417 PolarHBondContact O-N 2.81Å; S417-Y419 PolarHBondContact O-N 3.43Å |
| 418 | C | 88.5 | Confident | 86.2 | Confident | 88 Ų | 88 | 88 Ų | 88 | 60% | 0.595 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -70.5 | -11.2 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 114.3 | E415 I416 P420 | E415-C418 PolarHBondContact O-N 2.98Å; I416-C418 PolarHBondContact O-N 2.93Å; C418-P420 WeakPolarHBondContact O-CD 3.41Å |
| 419 | Y | 86.6 | Confident | 86.1 | Confident | 114 Ų | 114 | 86 Ų | 86 | 45% | 0.447 | 42% | 0.416 | S | S | . | . | trans | -123 | 52.9 | -177 | -56.8 | -76.2 | 0 | 0 | 0 | 112.8 | I416 S417 E421 K422 A425 | I416-Y419 PolarHBondContact O-N 3.26Å; S417-Y419 PolarHBondContact O-N 3.43Å; Y419-E421 PolarHBondContact O-N 3.46Å; Y419-K422 PolarHBondContact O-N 2.87Å; Y419-A425 WeakPolarHBondContact O-CB 3.23Å | ||
| 420 | P | 77.7 | Confident | 86 | Confident | 72 Ų | 72 | 92 Ų | 92 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22 | -167.9 | 27.6 | -36 | 0 | 0 | 0 | 113.7 | C418 K426 | C418-P420 WeakPolarHBondContact O-CD 3.41Å; P420-K426 WeakPolarHBondContact O-CE 3.06Å |
| 421 | E | 82.8 | Confident | 86 | Confident | 154 Ų | 154 | 91 Ų | 91 | 72% | 0.72 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.9 | -179.1 | -61.6 | -54.8 | 163.9 | 0 | 0 | 116.1 | Y419 K426 | Y419-E421 PolarHBondContact O-N 3.46Å; E421-K426 IonicContact OE2-NZ 3.81Å; E421-K426 PolarHBondContact OE2-NZ 3.45Å |
| 422 | K | 90.5 | Very high | 85.6 | Confident | 121 Ų | 121 | 87.5 Ų | 87.5 | 53% | 0.526 | 42% | 0.418 | S | S | . | . | trans | -75.8 | 131.6 | 175 | -76 | -171.1 | 175.9 | 179.5 | 0 | 110.8 | Y419 E424 A425 K426 | Y419-K422 PolarHBondContact O-N 2.87Å; K422-E424 VanDerWaalsContact C-N 3.3Å; K422-E424 PolarHBondContact O-N 3.36Å; K422-A425 HydrophobicContact CB-CB 3.93Å; K422-A425 PolarHBondContact O-N 3.28Å; K422-K426 PolarHBondContact O-N 2.83Å | ||
| 423 | Y | 90.8 | Very high | 85.1 | Confident | 160 Ų | 160 | 88 Ų | 88 | 63% | 0.627 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 178.7 | 176.8 | -91.3 | 0 | 0 | 0 | 111.3 | A425 K426 E427 | Y423-A425 VanDerWaalsContact C-N 3.28Å; Y423-A425 PolarHBondContact O-N 3.31Å; Y423-K426 PolarHBondContact O-N 3.27Å; Y423-K426 VanDerWaalsContact O-N 3.16Å; Y423-E427 PolarHBondContact O-N 2.8Å |
| 424 | E | 89.8 | Confident | 84.3 | Confident | 129 Ų | 129 | 89.4 Ų | 89.4 | 60% | 0.603 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.4 | -33.3 | 179.6 | -53 | 84.3 | 171 | 0 | 0 | 111.8 | K422 L428 | K422-E424 VanDerWaalsContact C-N 3.3Å; K422-E424 PolarHBondContact O-N 3.36Å; E424-L428 WeakPolarHBondContact O-CB 3.5Å; E424-L428 PolarHBondContact O-N 3.46Å |
| 425 | A | 85.6 | Confident | 82.8 | Confident | 8 Ų | 8 | 87.5 Ų | 87.5 | 7% | 0.066 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.8 | -37.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I416 Y419 K422 Y423 R429 | I416-A425 HydrophobicContact CB-CB 4.21Å; Y419-A425 WeakPolarHBondContact O-CB 3.23Å; K422-A425 HydrophobicContact CB-CB 3.93Å; K422-A425 PolarHBondContact O-N 3.28Å; Y423-A425 VanDerWaalsContact C-N 3.28Å; Y423-A425 PolarHBondContact O-N 3.31Å; A425-R429 WeakPolarHBondContact O-CB 3.43Å; A425-R429 PolarHBondContact O-N 3.49Å |
| 426 | K | 81.1 | Confident | 81.5 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 46% | 0.457 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 172.1 | -66.6 | 178.9 | -171.6 | 178.2 | 0 | 110.9 | P420 E421 K422 Y423 R430 | P420-K426 WeakPolarHBondContact O-CE 3.06Å; E421-K426 IonicContact OE2-NZ 3.81Å; E421-K426 PolarHBondContact OE2-NZ 3.45Å; K422-K426 PolarHBondContact O-N 2.83Å; Y423-K426 PolarHBondContact O-N 3.27Å; Y423-K426 VanDerWaalsContact O-N 3.16Å; K426-R430 WeakPolarHBondContact O-CB 3.27Å; K426-R430 PolarHBondContact O-N 3.44Å; K426-R430 VanDerWaalsContact O-N 3.08Å |
| 427 | E | 87.8 | Confident | 80.7 | Confident | 76 Ų | 76 | 92 Ų | 92 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.7 | -49.1 | 178.1 | -179.6 | 166.3 | -143 | 0 | 0 | 112.6 | Y423 R429 R430 I431 | Y423-E427 PolarHBondContact O-N 2.8Å; E427-R429 VanDerWaalsContact C-N 3.32Å; E427-R429 PolarHBondContact O-N 3.13Å; E427-R430 WeakPolarHBondContact O-CB 3.36Å; E427-R430 PolarHBondContact O-N 2.93Å; E427-R430 VanDerWaalsContact O-N 3.15Å; E427-I431 HydrophobicContact CG-CD1 4Å; E427-I431 WeakPolarHBondContact O-CG1 3.39Å; E427-I431 PolarHBondContact O-N 2.75Å |
| 428 | L | 85.7 | Confident | 79.7 | Confident | 68 Ų | 68 | 91.9 Ų | 91.9 | 36% | 0.356 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -41 | 178.9 | -178.7 | 59.1 | 0 | 0 | 0 | 111.5 | V412 I416 E424 I431 L432 | V412-L428 HydrophobicContact CG1-CD2 3.87Å; V412-L428 HydrophobicContact CG1-CG 4.48Å; I416-L428 HydrophobicContact CD1-CB 4.28Å; I416-L428 HydrophobicContact CD1-CD2 4.34Å; I416-L428 HydrophobicContact CD1-CG 4.18Å; I416-L428 HydrophobicContact CG2-CD2 4.34Å; E424-L428 WeakPolarHBondContact O-CB 3.5Å; E424-L428 PolarHBondContact O-N 3.46Å; L428-I431 PolarHBondContact O-N 2.99Å; L428-L432 HydrophobicContact CD1-CD1 4Å; L428-L432 HydrophobicContact CD1-CG 4.02Å; L428-L432 HydrophobicContact CG-CD1 3.96Å; L428-L432 HydrophobicContact CG-CG 4.37Å; L428-L432 WeakPolarHBondContact O-CB 3.09Å; L428-L432 WeakPolarHBondContact O-CG 3.29Å; L428-L432 PolarHBondContact O-N 2.7Å |
| 429 | R | 83.8 | Confident | 78.4 | Confident | 90 Ų | 90 | 89.6 Ų | 89.6 | 34% | 0.34 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.7 | -52.5 | 171.7 | -175.1 | -175.1 | -53 | -125.1 | 4.3 | 111 | L413 I416 A425 E427 I431 L432 T433 | L413-R429 HydrophobicContact CD2-CB 4.22Å; L413-R429 HydrophobicContact CD2-CG 3.85Å; I416-R429 HydrophobicContact CD1-CB 3.95Å; I416-R429 PolarHBondContact O-NH2 3.2Å; A425-R429 WeakPolarHBondContact O-CB 3.43Å; A425-R429 PolarHBondContact O-N 3.49Å; E427-R429 VanDerWaalsContact C-N 3.32Å; E427-R429 PolarHBondContact O-N 3.13Å; R429-I431 VanDerWaalsContact C-N 3.25Å; R429-I431 PolarHBondContact O-N 2.98Å; R429-L432 PolarHBondContact O-N 2.88Å; R429-T433 HydrophobicContact CG-CG2 4.33Å; R429-T433 WeakPolarHBondContact O-CG2 3.46Å; R429-T433 PolarHBondContact O-N 3.33Å; R429-T433 PolarHBondContact O-OG1 3.35Å; R429-T433 VanDerWaalsContact O-OG1 3.06Å |
| 430 | R | 81.3 | Confident | 77.7 | Confident | 141 Ų | 141 | 89.3 Ų | 89.3 | 53% | 0.532 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.7 | -35.8 | 179.6 | -172 | -171.6 | 69.5 | 99.6 | 1.6 | 112.7 | K426 E427 Q434 | K426-R430 WeakPolarHBondContact O-CB 3.27Å; K426-R430 PolarHBondContact O-N 3.44Å; K426-R430 VanDerWaalsContact O-N 3.08Å; E427-R430 WeakPolarHBondContact O-CB 3.36Å; E427-R430 PolarHBondContact O-N 2.93Å; E427-R430 VanDerWaalsContact O-N 3.15Å; R430-Q434 WeakPolarHBondContact O-CG 3.3Å; R430-Q434 PolarHBondContact O-N 3.03Å |
| 431 | I | 81.7 | Confident | 77.6 | Confident | 51 Ų | 51 | 87.3 Ų | 87.3 | 26% | 0.262 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.8 | -49.1 | 176.1 | -66.1 | 166.1 | 0 | 0 | 0 | 110.5 | E427 L428 R429 T433 Q434 F437 | E427-I431 HydrophobicContact CG-CD1 4Å; E427-I431 WeakPolarHBondContact O-CG1 3.39Å; E427-I431 PolarHBondContact O-N 2.75Å; L428-I431 PolarHBondContact O-N 2.99Å; R429-I431 VanDerWaalsContact C-N 3.25Å; R429-I431 PolarHBondContact O-N 2.98Å; I431-T433 VanDerWaalsContact C-N 3.28Å; I431-T433 PolarHBondContact O-N 2.86Å; I431-Q434 WeakPolarHBondContact O-CB 3.5Å; I431-Q434 PolarHBondContact O-N 3.12Å; I431-Q434 VanDerWaalsContact O-N 3.16Å; I431-F437 HydrophobicContact CG2-CD1 4.32Å; I431-F437 HydrophobicContact CG2-CD2 4Å; I431-F437 HydrophobicContact CG2-CE1 4.38Å; I431-F437 HydrophobicContact CG2-CE2 4.06Å; I431-F437 HydrophobicContact CG2-CG 4.13Å; I431-F437 HydrophobicContact CG2-CZ 4.26Å; I431-F437 WeakPolarHBondContact O-CB 3.31Å |
| 432 | L | 80.3 | Confident | 76.9 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.3 | -26.2 | -177.6 | -67.8 | 177.4 | 0 | 0 | 0 | 113.4 | A409 V412 L413 L428 R429 F437 M438 | A409-L432 HydrophobicContact CB-CD2 4.23Å; V412-L432 HydrophobicContact CB-CD1 4.11Å; V412-L432 HydrophobicContact CG1-CD1 3.59Å; L413-L432 HydrophobicContact CD1-CB 4.27Å; L413-L432 HydrophobicContact CD2-CB 3.88Å; L413-L432 HydrophobicContact CD2-CD1 4.18Å; L413-L432 HydrophobicContact CG-CB 4.09Å; L413-L432 HydrophobicContact CG-CD1 4.14Å; L428-L432 HydrophobicContact CD1-CD1 4Å; L428-L432 HydrophobicContact CD1-CG 4.02Å; L428-L432 HydrophobicContact CG-CD1 3.96Å; L428-L432 HydrophobicContact CG-CG 4.37Å; L428-L432 WeakPolarHBondContact O-CB 3.09Å; L428-L432 WeakPolarHBondContact O-CG 3.29Å; L428-L432 PolarHBondContact O-N 2.7Å; R429-L432 PolarHBondContact O-N 2.88Å; L432-F437 HydrophobicContact CD2-CD1 4.16Å; L432-F437 HydrophobicContact CD2-CE1 3.76Å; L432-M438 WeakPolarHBondContact O-CG 3.49Å |
| 433 | T | 76.4 | Confident | 75.7 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.5 | 174.6 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | L413 R429 I431 | L413-T433 HydrophobicContact CD1-CG2 4.11Å; L413-T433 HydrophobicContact CD2-CG2 4.09Å; R429-T433 HydrophobicContact CG-CG2 4.33Å; R429-T433 WeakPolarHBondContact O-CG2 3.46Å; R429-T433 PolarHBondContact O-N 3.33Å; R429-T433 PolarHBondContact O-OG1 3.35Å; R429-T433 VanDerWaalsContact O-OG1 3.06Å; I431-T433 VanDerWaalsContact C-N 3.28Å; I431-T433 PolarHBondContact O-N 2.86Å |
| 434 | Q | 70.6 | Confident | 75.1 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | trans | -71.4 | 130.2 | 174.7 | -93 | 169.5 | 17.1 | 0 | 0 | 110.5 | R430 I431 H436 F437 M438 | R430-Q434 WeakPolarHBondContact O-CG 3.3Å; R430-Q434 PolarHBondContact O-N 3.03Å; I431-Q434 WeakPolarHBondContact O-CB 3.5Å; I431-Q434 PolarHBondContact O-N 3.12Å; I431-Q434 VanDerWaalsContact O-N 3.16Å; Q434-H436 VanDerWaalsContact C-N 3.26Å; Q434-H436 PolarHBondContact O-N 3Å; Q434-H436 VanDerWaalsContact O-N 3.13Å; Q434-F437 HydrophobicContact CB-CB 4.07Å; Q434-F437 PolarHBondContact O-N 3.31Å; Q434-M438 WeakPolarHBondContact O-CG 3.42Å; Q434-M438 PolarHBondContact O-N 2.91Å | ||
| 435 | P | 55.8 | Low | 74.4 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -52.8 | -40.2 | -178.6 | -29.9 | 35.6 | 0 | 0 | 0 | 114 | A439 | P435-A439 VanDerWaalsContact O-CB 3.26Å; P435-A439 WeakPolarHBondContact O-CB 3.49Å; P435-A439 PolarHBondContact O-N 3.26Å |
| 436 | H | 61.2 | Low | 73.4 | Confident | 164 Ų | 164 | 67.9 Ų | 67.9 | 76% | 0.759 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.7 | -33.5 | 177.7 | -57.6 | -51.7 | 0 | 0 | 0 | 113.6 | Q434 L440 | Q434-H436 VanDerWaalsContact C-N 3.26Å; Q434-H436 PolarHBondContact O-N 3Å; Q434-H436 VanDerWaalsContact O-N 3.13Å; H436-L440 WeakPolarHBondContact O-CB 3.35Å; H436-L440 PolarHBondContact O-N 3.45Å |
| 437 | F | 71.8 | Confident | 72.7 | Confident | 72 Ų | 72 | 66 Ų | 66 | 32% | 0.316 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -75.3 | -39.8 | 177.5 | -159.5 | -90 | 0 | 0 | 0 | 110.5 | I431 L432 Q434 L440 L441 | I431-F437 HydrophobicContact CG2-CD1 4.32Å; I431-F437 HydrophobicContact CG2-CD2 4Å; I431-F437 HydrophobicContact CG2-CE1 4.38Å; I431-F437 HydrophobicContact CG2-CE2 4.06Å; I431-F437 HydrophobicContact CG2-CG 4.13Å; I431-F437 HydrophobicContact CG2-CZ 4.26Å; I431-F437 WeakPolarHBondContact O-CB 3.31Å; L432-F437 HydrophobicContact CD2-CD1 4.16Å; L432-F437 HydrophobicContact CD2-CE1 3.76Å; Q434-F437 HydrophobicContact CB-CB 4.07Å; Q434-F437 PolarHBondContact O-N 3.31Å; F437-L440 WeakPolarHBondContact O-CB 3.4Å; F437-L440 PolarHBondContact O-N 3.49Å; F437-L441 HydrophobicContact CD1-CD1 4.02Å; F437-L441 HydrophobicContact CD1-CG 4.31Å; F437-L441 HydrophobicContact CE1-CD1 3.99Å; F437-L441 HydrophobicContact CE1-CD2 4.36Å; F437-L441 HydrophobicContact CE1-CG 4.25Å; F437-L441 WeakPolarHBondContact O-CG 3.18Å; F437-L441 PolarHBondContact O-N 2.6Å; F437-L441 VanDerWaalsContact O-N 3.11Å |
| 438 | M | 64.1 | Low | 72 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 29% | 0.291 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 169.6 | -66.8 | 179.2 | 67.7 | 0 | 0 | 111.2 | Y321 L432 Q434 L440 L441 Q442 | Y321-M438 HydrophobicContact CE1-CE 3.72Å; L432-M438 WeakPolarHBondContact O-CG 3.49Å; Q434-M438 WeakPolarHBondContact O-CG 3.42Å; Q434-M438 PolarHBondContact O-N 2.91Å; M438-L440 VanDerWaalsContact C-N 3.27Å; M438-L440 PolarHBondContact O-N 3.06Å; M438-L441 PolarHBondContact O-N 3.42Å; M438-L441 VanDerWaalsContact O-N 3.11Å; M438-Q442 VanDerWaalsContact O-CG 3.24Å; M438-Q442 WeakPolarHBondContact O-CG 3.46Å; M438-Q442 PolarHBondContact O-N 2.9Å |
| 439 | A | 60.5 | Low | 71.1 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P435 A443 | P435-A439 VanDerWaalsContact O-CB 3.26Å; P435-A439 WeakPolarHBondContact O-CB 3.49Å; P435-A439 PolarHBondContact O-N 3.26Å; A439-A443 VanDerWaalsContact O-CB 3.27Å; A439-A443 WeakPolarHBondContact O-CB 3.42Å; A439-A443 PolarHBondContact O-N 2.71Å |
| 440 | L | 73.6 | Confident | 70 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 57% | 0.571 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 173.4 | 179.1 | 63.7 | 0 | 0 | 0 | 112 | H436 F437 M438 H444 | H436-L440 WeakPolarHBondContact O-CB 3.35Å; H436-L440 PolarHBondContact O-N 3.45Å; F437-L440 WeakPolarHBondContact O-CB 3.4Å; F437-L440 PolarHBondContact O-N 3.49Å; M438-L440 VanDerWaalsContact C-N 3.27Å; M438-L440 PolarHBondContact O-N 3.06Å; L440-H444 WeakPolarHBondContact O-CB 3.38Å; L440-H444 PolarHBondContact O-N 2.82Å |
| 441 | L | 74.7 | Confident | 68.8 | Low | 30 Ų | 30 | 56.9 Ų | 56.9 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 176.4 | -61 | 174.8 | 0 | 0 | 0 | 111.8 | A405 V406 A409 F437 M438 H444 D445 | A405-L441 HydrophobicContact CB-CD2 4.04Å; V406-L441 HydrophobicContact CG2-CB 3.88Å; A409-L441 HydrophobicContact CB-CD1 3.67Å; F437-L441 HydrophobicContact CD1-CD1 4.02Å; F437-L441 HydrophobicContact CD1-CG 4.31Å; F437-L441 HydrophobicContact CE1-CD1 3.99Å; F437-L441 HydrophobicContact CE1-CD2 4.36Å; F437-L441 HydrophobicContact CE1-CG 4.25Å; F437-L441 WeakPolarHBondContact O-CG 3.18Å; F437-L441 PolarHBondContact O-N 2.6Å; F437-L441 VanDerWaalsContact O-N 3.11Å; M438-L441 PolarHBondContact O-N 3.42Å; M438-L441 VanDerWaalsContact O-N 3.11Å; L441-H444 WeakPolarHBondContact O-CB 3.36Å; L441-H444 PolarHBondContact O-N 3.36Å; L441-D445 PolarHBondContact O-N 3.37Å |
| 442 | Q | 68.3 | Low | 67.8 | Low | 33 Ų | 33 | 59 Ų | 59 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -51.9 | 172.7 | -70.7 | 165.6 | -0.3 | 0 | 0 | 111.5 | F317 Y321 V406 M438 H444 D445 V446 | F317-Q442 HydrophobicContact CE2-CB 4.43Å; Y321-Q442 HydrophobicContact CE2-CG 3.72Å; Y321-Q442 VanDerWaalsContact OH-CG 3.27Å; Y321-Q442 WeakPolarHBondContact OH-CG 3.25Å; Y321-Q442 PolarHBondContact OH-NE2 3.07Å; V406-Q442 HydrophobicContact CG2-CG 4.11Å; M438-Q442 VanDerWaalsContact O-CG 3.24Å; M438-Q442 WeakPolarHBondContact O-CG 3.46Å; M438-Q442 PolarHBondContact O-N 2.9Å; Q442-H444 VanDerWaalsContact C-N 3.27Å; Q442-H444 PolarHBondContact O-N 3.13Å; Q442-D445 PolarHBondContact O-N 2.95Å; Q442-V446 WeakPolarHBondContact O-CG2 3.13Å; Q442-V446 PolarHBondContact O-N 2.88Å |
| 443 | A | 65.7 | Low | 67 | Low | 43 Ų | 43 | 59.6 Ų | 59.6 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A439 V447 | A439-A443 VanDerWaalsContact O-CB 3.27Å; A439-A443 WeakPolarHBondContact O-CB 3.42Å; A439-A443 PolarHBondContact O-N 2.71Å; A443-V447 VanDerWaalsContact O-CB 3.31Å; A443-V447 WeakPolarHBondContact O-CB 3.41Å; A443-V447 WeakPolarHBondContact O-CG2 3.24Å; A443-V447 PolarHBondContact O-N 3.09Å |
| 444 | H | 78 | Confident | 65.8 | Low | 73 Ų | 73 | 64.5 Ų | 64.5 | 34% | 0.338 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.6 | -53.4 | 171.7 | 171.8 | -83.7 | 0 | 0 | 0 | 111.7 | P401 P402 L440 L441 Q442 V446 V447 A448 | P401-H444 WeakPolarHBondContact CB-NE2 3.33Å; P402-H444 PolarHBondContact O-CE1 2.85Å; P402-H444 VanDerWaalsContact O-CE1 3.31Å; L440-H444 WeakPolarHBondContact O-CB 3.38Å; L440-H444 PolarHBondContact O-N 2.82Å; L441-H444 WeakPolarHBondContact O-CB 3.36Å; L441-H444 PolarHBondContact O-N 3.36Å; Q442-H444 VanDerWaalsContact C-N 3.27Å; Q442-H444 PolarHBondContact O-N 3.13Å; H444-V446 PolarHBondContact O-N 2.86Å; H444-V447 PolarHBondContact O-N 2.67Å; H444-A448 VanDerWaalsContact O-CB 3.25Å; H444-A448 WeakPolarHBondContact O-CB 3.42Å; H444-A448 PolarHBondContact O-N 2.75Å |
| 445 | D | 74.8 | Confident | 64.7 | Low | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.6 | -35.9 | -175.3 | -68.9 | -10.9 | 0 | 0 | 0 | 112.4 | S403 D404 A405 V406 L441 Q442 A448 H449 | S403-D445 VanDerWaalsContact C-CG 3.45Å; S403-D445 WeakPolarHBondContact CB-O 3.09Å; D404-D445 PolarHBondContact N-OD1 2.85Å; A405-D445 WeakPolarHBondContact CB-OD1 3.26Å; A405-D445 VanDerWaalsContact N-CG 3.3Å; A405-D445 PolarHBondContact N-OD1 3.46Å; A405-D445 PolarHBondContact N-OD2 2.95Å; V406-D445 WeakPolarHBondContact CB-OD2 3.41Å; V406-D445 WeakPolarHBondContact CG2-OD2 3.22Å; V406-D445 PolarHBondContact N-OD2 2.92Å; L441-D445 PolarHBondContact O-N 3.37Å; Q442-D445 PolarHBondContact O-N 2.95Å; D445-A448 PolarHBondContact O-N 2.96Å; D445-H449 WeakPolarHBondContact O-CB 3.47Å; D445-H449 PolarHBondContact O-N 2.86Å |
| 446 | V | 65 | Low | 64.4 | Low | 10 Ų | 10 | 64.4 Ų | 64.4 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 173.3 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | A311 F317 Q442 H444 H449 E450 | A311-V446 HydrophobicContact CB-CG1 4.15Å; F317-V446 HydrophobicContact CD2-CG2 4.16Å; Q442-V446 WeakPolarHBondContact O-CG2 3.13Å; Q442-V446 PolarHBondContact O-N 2.88Å; H444-V446 PolarHBondContact O-N 2.86Å; V446-H449 PolarHBondContact O-N 2.86Å; V446-E450 HydrophobicContact CG1-CG 4.22Å; V446-E450 WeakPolarHBondContact O-CB 3.44Å; V446-E450 PolarHBondContact O-N 3.43Å |
| 447 | V | 66.1 | Low | 63.5 | Low | 64 Ų | 64 | 60.6 Ų | 60.6 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 174.9 | 167.5 | 0 | 0 | 0 | 0 | 111 | A443 H444 H449 V451 Y452 | A443-V447 VanDerWaalsContact O-CB 3.31Å; A443-V447 WeakPolarHBondContact O-CB 3.41Å; A443-V447 WeakPolarHBondContact O-CG2 3.24Å; A443-V447 PolarHBondContact O-N 3.09Å; H444-V447 PolarHBondContact O-N 2.67Å; V447-H449 VanDerWaalsContact C-N 3.3Å; V447-H449 PolarHBondContact O-N 2.96Å; V447-V451 HydrophobicContact CG1-CB 4.37Å; V447-V451 HydrophobicContact CG1-CG2 4.28Å; V447-V451 VanDerWaalsContact O-CB 3.25Å; V447-V451 WeakPolarHBondContact O-CB 3.4Å; V447-V451 PolarHBondContact O-N 2.89Å; V447-Y452 HydrophobicContact CG1-CD2 4.01Å; V447-Y452 HydrophobicContact CG1-CE2 3.75Å; V447-Y452 WeakPolarHBondContact O-CD2 3.34Å; V447-Y452 PolarHBondContact O-N 3.27Å |
| 448 | A | 72 | Confident | 62 | Low | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.2 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P401 H444 D445 Y452 S453 | P401-A448 HydrophobicContact CB-CB 3.87Å; P401-A448 HydrophobicContact CG-CB 4.09Å; P401-A448 WeakPolarHBondContact O-CB 3.38Å; H444-A448 VanDerWaalsContact O-CB 3.25Å; H444-A448 WeakPolarHBondContact O-CB 3.42Å; H444-A448 PolarHBondContact O-N 2.75Å; D445-A448 PolarHBondContact O-N 2.96Å; A448-Y452 CarbonylContact O-C 3.38Å; A448-Y452 WeakPolarHBondContact O-CA 3.46Å; A448-Y452 WeakPolarHBondContact O-CB 3.48Å; A448-Y452 PolarHBondContact O-N 2.85Å; A448-S453 PolarHBondContact O-N 3.4Å; A448-S453 VanDerWaalsContact O-N 3.15Å |
| 449 | H | 68.2 | Low | 60.6 | Low | 46 Ų | 46 | 70 Ų | 70 | 21% | 0.213 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76 | -61.9 | 177.2 | -159.7 | 90.9 | 0 | 0 | 0 | 112.7 | K316 D445 V446 V447 V451 S453 E455 | K316-H449 PolarHBondContact NZ-CD2 3.16Å; K316-H449 PolarHBondContact NZ-NE2 3.32Å; D445-H449 WeakPolarHBondContact O-CB 3.47Å; D445-H449 PolarHBondContact O-N 2.86Å; V446-H449 PolarHBondContact O-N 2.86Å; V447-H449 VanDerWaalsContact C-N 3.3Å; V447-H449 PolarHBondContact O-N 2.96Å; H449-V451 VanDerWaalsContact C-N 3.33Å; H449-V451 PolarHBondContact O-N 3.11Å; H449-S453 WeakPolarHBondContact O-CB 3.43Å; H449-S453 PolarHBondContact O-N 2.97Å; H449-S453 VanDerWaalsContact O-N 3.17Å; H449-S453 PolarHBondContact O-OG 3.02Å; H449-E455 IonicContact CE1-OE2 3.98Å; H449-E455 PolarHBondContact CE1-OE2 3.17Å; H449-E455 IonicContact NE2-OE2 3.01Å; H449-E455 PolarHBondContact NE2-OE2 2.8Å |
| 450 | E | 60.2 | Low | 59.1 | Low | 52 Ų | 52 | 72.5 Ų | 72.5 | 24% | 0.243 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76.4 | -16.3 | -167.4 | -61.5 | -69.7 | 135.9 | 0 | 0 | 113.7 | K316 V446 A456 | K316-E450 WeakPolarHBondContact CD-OE1 3.41Å; K316-E450 IonicContact NZ-OE1 2.68Å; K316-E450 PolarHBondContact NZ-OE1 2.81Å; V446-E450 HydrophobicContact CG1-CG 4.22Å; V446-E450 WeakPolarHBondContact O-CB 3.44Å; V446-E450 PolarHBondContact O-N 3.43Å; E450-A456 VanDerWaalsContact O-CB 3.32Å; E450-A456 WeakPolarHBondContact O-CB 3.08Å |
| 451 | V | 56.9 | Low | 57 | Low | 84 Ų | 84 | 72 Ų | 72 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -113 | -31.1 | 179.7 | -170.5 | 0 | 0 | 0 | 0 | 113 | V447 H449 | V447-V451 HydrophobicContact CG1-CB 4.37Å; V447-V451 HydrophobicContact CG1-CG2 4.28Å; V447-V451 VanDerWaalsContact O-CB 3.25Å; V447-V451 WeakPolarHBondContact O-CB 3.4Å; V447-V451 PolarHBondContact O-N 2.89Å; H449-V451 VanDerWaalsContact C-N 3.33Å; H449-V451 PolarHBondContact O-N 3.11Å |
| 452 | Y | 60.8 | Low | 54.6 | Low | 95 Ų | 95 | 76 Ų | 76 | 37% | 0.373 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -121.6 | 1.9 | -171.9 | -62.5 | -79 | 0 | 0 | 0 | 115.5 | N400 V447 A448 | N400-Y452 PolarHBondContact ND2-O 3.06Å; V447-Y452 HydrophobicContact CG1-CD2 4.01Å; V447-Y452 HydrophobicContact CG1-CE2 3.75Å; V447-Y452 WeakPolarHBondContact O-CD2 3.34Å; V447-Y452 PolarHBondContact O-N 3.27Å; A448-Y452 CarbonylContact O-C 3.38Å; A448-Y452 WeakPolarHBondContact O-CA 3.46Å; A448-Y452 WeakPolarHBondContact O-CB 3.48Å; A448-Y452 PolarHBondContact O-N 2.85Å |
| 453 | S | 62.3 | Low | 52.7 | Low | 32 Ų | 32 | 80.3 Ų | 80.3 | 22% | 0.224 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -87.5 | 165.1 | 171.5 | 80.3 | 0 | 0 | 0 | 0 | 112.9 | A448 H449 E455 A456 | A448-S453 PolarHBondContact O-N 3.4Å; A448-S453 VanDerWaalsContact O-N 3.15Å; H449-S453 WeakPolarHBondContact O-CB 3.43Å; H449-S453 PolarHBondContact O-N 2.97Å; H449-S453 VanDerWaalsContact O-N 3.17Å; H449-S453 PolarHBondContact O-OG 3.02Å; S453-E455 PolarHBondContact O-N 3Å; S453-E455 PolarHBondContact OG-N 3.09Å; S453-A456 VanDerWaalsContact O-CB 3.25Å; S453-A456 WeakPolarHBondContact O-CB 3.43Å; S453-A456 PolarHBondContact O-N 3.27Å |
| 454 | D | 51.8 | Low | 50.8 | Low | 170 Ų | 170 | 84.8 Ų | 84.8 | 91% | 0.909 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.7 | 175.4 | -58.9 | -48.9 | 0 | 0 | 0 | 113.2 | ||
| 455 | E | 46.1 | Very low | 48.2 | Very low | 145 Ų | 145 | 86.3 Ų | 86.3 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6 | 174.7 | -63.5 | -173.9 | 156.7 | 0 | 0 | 113.6 | H449 S453 L457 | H449-E455 IonicContact CE1-OE2 3.98Å; H449-E455 PolarHBondContact CE1-OE2 3.17Å; H449-E455 IonicContact NE2-OE2 3.01Å; H449-E455 PolarHBondContact NE2-OE2 2.8Å; S453-E455 PolarHBondContact O-N 3Å; S453-E455 PolarHBondContact OG-N 3.09Å; E455-L457 PolarHBondContact O-N 2.86Å |
| 456 | A | 49.9 | Very low | 46 | Very low | 23 Ų | 23 | 91.5 Ų | 91.5 | 19% | 0.19 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -57.2 | 123.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | E450 S453 R458 | E450-A456 VanDerWaalsContact O-CB 3.32Å; E450-A456 WeakPolarHBondContact O-CB 3.08Å; S453-A456 VanDerWaalsContact O-CB 3.25Å; S453-A456 WeakPolarHBondContact O-CB 3.43Å; S453-A456 PolarHBondContact O-N 3.27Å; A456-R458 PolarHBondContact O-N 2.88Å; A456-R458 VanDerWaalsContact O-N 3.1Å |
| 457 | L | 42.7 | Very low | 44.1 | Very low | 85 Ų | 85 | 100 Ų | 100 | 45% | 0.445 | 55% | 0.545 | S | S | . | . | trans | -49.4 | 122.6 | 161.4 | -81.2 | 162.8 | 0 | 0 | 0 | 106.7 | E455 V459 | E455-L457 PolarHBondContact O-N 2.86Å; L457-V459 VanDerWaalsContact C-N 3.25Å; L457-V459 WeakPolarHBondContact O-CG2 3.46Å; L457-V459 PolarHBondContact O-N 2.81Å | ||
| 458 | R | 40.1 | Very low | 42.2 | Very low | 238 Ų | 238 | 104 Ų | 104 | 90% | 0.898 | 56% | 0.563 | S | S | * | * | trans | -64.1 | 78.3 | -169.9 | -73.2 | -176.7 | 179.2 | 160.7 | 0.3 | 112.9 | A456 T460 | A456-R458 PolarHBondContact O-N 2.88Å; A456-R458 VanDerWaalsContact O-N 3.1Å; R458-T460 PolarHBondContact O-N 3.02Å | ||
| 459 | V | 34.1 | Very low | 40.1 | Very low | 90 Ų | 90 | 111 Ų | 111 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -88.8 | 51.8 | 168.4 | -165.6 | 0 | 0 | 0 | 0 | 108.8 | L457 | L457-V459 VanDerWaalsContact C-N 3.25Å; L457-V459 WeakPolarHBondContact O-CG2 3.46Å; L457-V459 PolarHBondContact O-N 2.81Å | ||
| 460 | T | 30.6 | Very low | 38 | Very low | 93 Ų | 93 | 111.3 Ų | 111.3 | 57% | 0.571 | 62% | 0.616 | S | S | * | * | trans | -75.5 | 157.5 | 175.2 | 14.4 | 0 | 0 | 0 | 0 | 111.9 | K303 R458 | K303-T460 PolarHBondContact NZ-O 3.19Å; R458-T460 PolarHBondContact O-N 3.02Å | ||
| 461 | P | 28 | Very low | 36.3 | Very low | 98 Ų | 98 | 117 Ų | 117 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -67.4 | -178.7 | 168.8 | -15.6 | 32.1 | 0 | 0 | 0 | 111.7 | ||||
| 462 | P | 24.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 118 Ų | 118 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -58.9 | 150 | 176.8 | 26.6 | -35.5 | 0 | 0 | 0 | 111.7 | T464 | P462-T464 PolarHBondContact O-N 3.39Š|
| 463 | P | 28.1 | Very low | 33.2 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 118.5 | -173.8 | 26.8 | -34.4 | 0 | 0 | 0 | 111.9 | ||
| 464 | T | 26.1 | Very low | 31.5 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 125.6 | 151 | 37.1 | 0 | 0 | 0 | 0 | 108.2 | P462 P466 | P462-T464 PolarHBondContact O-N 3.39Å; T464-P466 WeakPolarHBondContact O-CD 3.33Å |
| 465 | S | 22.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 121.6 | 175.2 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 466 | P | 30 | Very low | 29.2 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 74% | 0.74 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 134.1 | 168.7 | 34.9 | -27.7 | 0 | 0 | 0 | 111.7 | T464 | T464-P466 WeakPolarHBondContact O-CD 3.33Š|
| 467 | Y | 24.8 | Very low | 28.2 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | -143.8 | 133.1 | 162.6 | -82.2 | -83.7 | 0 | 0 | 0 | 105.4 | ||||
| 468 | L | 26.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | cis | -129.6 | -162.1 | -2.9 | -58.5 | 94.9 | 0 | 0 | 0 | 108.1 | ||||
| 469 | N | 27.1 | Very low | 26.7 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | cis | -160.8 | 167.1 | 5.7 | -153.7 | 1.4 | 0 | 0 | 0 | 111.7 | ||||
| 470 | G | 24.5 | Very low | 26.4 | Very low | 53 Ų | 53 | 127.2 Ų | 127.2 | 55% | 0.546 | 77% | 0.766 | S | S | . | * | trans | 68.8 | 101.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 471 | D | 24.4 | Very low | 26.2 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | 173.6 | 154.8 | 77.6 | -92.9 | -17.2 | 0 | 0 | 0 | 110.6 | |||||
| 472 | S | 23.6 | Very low | 26.2 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -91.1 | 159.2 | -178.5 | -168.7 | 0 | 0 | 0 | 0 | 112 | E474 | S472-E474 PolarHBondContact OG-N 2.89Š| ||
| 473 | P | 29.3 | Very low | 26.5 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | -137 | 131.6 | 109.5 | 35.7 | -24.6 | 0 | 0 | 0 | 115.5 | |||||
| 474 | E | 26.6 | Very low | 26.7 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 34.6 | 116.8 | 139.4 | -63.2 | -170.6 | 160.5 | 0 | 0 | 122.1 | S472 | S472-E474 PolarHBondContact OG-N 2.89Š| ||
| 475 | S | 24.6 | Very low | 27 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | 72.2 | 111.2 | 124.5 | -55.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 476 | A | 25.7 | Very low | 28.2 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | -177 | 139 | 97.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 477 | N | 27.1 | Very low | 29.2 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | 61.5 | 129.9 | 161.4 | -46.8 | -20.8 | 0 | 0 | 0 | 117.5 | ||||
| 478 | G | 27.4 | Very low | 31.4 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | cis | 124.7 | 84.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 479 | D | 25.3 | Very low | 34 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | -151.9 | 156.4 | 150.7 | -146.4 | -16.6 | 0 | 0 | 0 | 110.6 | ||||
| 480 | M | 27.4 | Very low | 36.4 | Very low | 169 Ų | 169 | 132 Ų | 132 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | trans | -98.2 | 159.1 | -160.5 | -70.9 | -166.6 | 99 | 0 | 0 | 116.4 | ||||
| 481 | D | 27.1 | Very low | 39.1 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | -39 | 148 | 176.3 | -58.4 | -68.4 | 0 | 0 | 0 | 117.9 | ||||
| 482 | L | 26.6 | Very low | 41.9 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | trans | -116.3 | 117.2 | 153 | -158 | 75.3 | 0 | 0 | 0 | 109.4 | N484 | L482-N484 PolarHBondContact O-N 3.39Š| ||
| 483 | E | 32.4 | Very low | 44.7 | Very low | 182 Ų | 182 | 123.2 Ų | 123.2 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | trans | -69.7 | 119.1 | -168.8 | -64 | -175.4 | 129.4 | 0 | 0 | 113.8 | ||||
| 484 | N | 31.2 | Very low | 47.1 | Very low | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | trans | -83.6 | 113 | 163.1 | -88.2 | -45 | 0 | 0 | 0 | 110.6 | L482 T486 | L482-N484 PolarHBondContact O-N 3.39Å; N484-T486 PolarHBondContact O-N 2.83Å | ||
| 485 | V | 32.6 | Very low | 49.7 | Very low | 142 Ų | 142 | 115.1 Ų | 115.1 | 86% | 0.861 | 62% | 0.623 | S | S | * | * | trans | -63.6 | 96.1 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 486 | T | 47.4 | Very low | 52.1 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | trans | -85.8 | 122.6 | -179.9 | 32.1 | 0 | 0 | 0 | 0 | 111.2 | N484 V488 V568 | N484-T486 PolarHBondContact O-N 2.83Å; T486-V488 PolarHBondContact O-N 3.26Å; T486-V568 HydrophobicContact CG2-CG1 3.96Å | ||
| 487 | R | 52.2 | Low | 54.4 | Low | 201 Ų | 201 | 113.9 Ų | 113.9 | 76% | 0.758 | 60% | 0.598 | S | S | * | * | trans | -68.3 | 114.7 | 176.7 | -79.5 | -178.5 | 168.6 | 175.2 | -2.9 | 110.6 | P569 | R487-P569 VanDerWaalsContact O-CD 3.24Å; R487-P569 WeakPolarHBondContact O-CD 3.47Å | ||
| 488 | V | 70.8 | Confident | 56.5 | Low | 72 Ų | 72 | 112.6 Ų | 112.6 | 44% | 0.436 | 59% | 0.591 | S | S | . | * | trans | -87.2 | 139.2 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | T486 K566 I567 V568 | T486-V488 PolarHBondContact O-N 3.26Å; V488-K566 HydrophobicContact CG1-CD 4.08Å; V488-K566 HydrophobicContact CG1-CG 3.26Å; V488-I567 CarbonylContact C-O 3.33Å; V488-I567 WeakPolarHBondContact CA-O 3.49Å; V488-V568 HydrophobicContact CG2-CG2 4.17Å | ||
| 489 | R | 79.9 | Confident | 58.8 | Low | 108 Ų | 108 | 111.2 Ų | 111.2 | 41% | 0.408 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 140 | 174.1 | 175.5 | 178.4 | 170.2 | -170.8 | -5.9 | 110.2 | V491 I567 P569 | R489-V491 HydrophobicContact CG-CG2 4.05Å; R489-I567 HydrophobicContact CB-CG1 4.01Å; R489-I567 HydrophobicContact CG-CG1 4.47Å; R489-I567 PolarHBondContact N-O 3.26Å; R489-I567 WeakPolarHBondContact O-CG1 3.45Å; R489-I567 PolarHBondContact O-N 3.09Å; R489-P569 HydrophobicContact CB-CG 3.9Å |
| 490 | L | 78.4 | Confident | 61.2 | Low | 123 Ų | 123 | 107.5 Ų | 107.5 | 64% | 0.644 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.2 | 167.8 | -69.8 | 165.6 | 0 | 0 | 0 | 109.7 | T564 F565 K566 | L490-T564 HydrophobicContact CD2-CG2 4.11Å; L490-F565 CarbonylContact C-O 3.59Å; L490-F565 WeakPolarHBondContact CA-O 3.44Å; L490-K566 HydrophobicContact CD2-CB 3.86Å; L490-K566 HydrophobicContact CD2-CG 4.05Å |
| 491 | V | 82.2 | Confident | 63.7 | Low | 5 Ų | 5 | 100.1 Ų | 100.1 | 3% | 0.03 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119 | 179.9 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | R489 F493 T529 L530 T564 F565 I567 | R489-V491 HydrophobicContact CG-CG2 4.05Å; V491-F493 HydrophobicContact CG1-CD1 4.47Å; V491-T529 HydrophobicContact CG1-CG2 4.35Å; V491-L530 HydrophobicContact CB-CD2 4.16Å; V491-L530 HydrophobicContact CG1-CD2 3.98Å; V491-L530 HydrophobicContact CG1-CG 4.37Å; V491-L530 HydrophobicContact CG2-CD2 4.13Å; V491-T564 CarbonylContact O-C 3.44Å; V491-T564 WeakPolarHBondContact O-CA 3.48Å; V491-F565 PolarHBondContact N-O 2.81Å; V491-F565 PolarHBondContact O-N 3Å; V491-I567 HydrophobicContact CG2-CD1 3.71Å; V491-I567 HydrophobicContact CG2-CG1 4.08Å |
| 492 | Q | 81.3 | Confident | 66.4 | Low | 133 Ų | 133 | 93.7 Ų | 93.7 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.7 | -176.6 | -173.1 | 178.1 | 10.5 | 0 | 0 | 110.7 | S562 I563 | Q492-S562 WeakPolarHBondContact CG-OG 3.47Å; Q492-S562 PolarHBondContact NE2-OG 2.8Å; Q492-I563 WeakPolarHBondContact CA-O 3.23Å |
| 493 | F | 83.7 | Confident | 69.2 | Low | 8 Ų | 8 | 86.8 Ų | 86.8 | 4% | 0.035 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.8 | 178 | 51.3 | -86 | 0 | 0 | 0 | 110.9 | V491 M501 I524 I563 F565 | V491-F493 HydrophobicContact CG1-CD1 4.47Å; F493-M501 HydrophobicContact CD2-CE 4.46Å; F493-M501 HydrophobicContact CE1-CE 4.2Å; F493-M501 HydrophobicContact CE2-CE 3.38Å; F493-M501 HydrophobicContact CE2-CG 4.44Å; F493-M501 HydrophobicContact CE2-SD 3.77Å; F493-M501 HydrophobicContact CZ-CE 3.24Å; F493-M501 HydrophobicContact CZ-SD 4.07Å; F493-I524 HydrophobicContact CD1-CD1 4.18Å; F493-I524 HydrophobicContact CD2-CD1 4.38Å; F493-I524 HydrophobicContact CE1-CD1 4.31Å; F493-I524 HydrophobicContact CE2-CD1 4.49Å; F493-I524 HydrophobicContact CG-CD1 4.24Å; F493-I524 HydrophobicContact CZ-CD1 4.48Å; F493-I563 HydrophobicContact CD2-CB 4.15Å; F493-I563 HydrophobicContact CE1-CB 4.44Å; F493-I563 HydrophobicContact CE1-CG2 4.25Å; F493-I563 HydrophobicContact CE2-CB 3.58Å; F493-I563 HydrophobicContact CE2-CD1 4Å; F493-I563 HydrophobicContact CE2-CG1 4.29Å; F493-I563 HydrophobicContact CE2-CG2 3.82Å; F493-I563 HydrophobicContact CZ-CB 3.72Å; F493-I563 HydrophobicContact CZ-CG2 3.48Å; F493-I563 VanDerWaalsContact CZ-CG2 3.48Å; F493-I563 PolarHBondContact N-O 2.94Å; F493-I563 PolarHBondContact O-N 2.86Å; F493-F565 AromaticContact CE1-CD1 4Å; F493-F565 HydrophobicContact CE1-CD1 4Å; F493-F565 HydrophobicContact CE1-CD2 4.26Å; F493-F565 HydrophobicContact CE1-CE1 4.11Å; F493-F565 HydrophobicContact CE1-CE2 4.36Å; F493-F565 HydrophobicContact CE1-CG 4.08Å; F493-F565 HydrophobicContact CE1-CZ 4.31Å; F493-F565 HydrophobicContact CZ-CD1 4.02Å; F493-F565 AromaticContact CZ-CE1 3.68Å; F493-F565 HydrophobicContact CZ-CE1 3.68Å; F493-F565 HydrophobicContact CZ-CE2 4.29Å; F493-F565 HydrophobicContact CZ-CG 4.47Å; F493-F565 AromaticContact CZ-CZ 3.84Å; F493-F565 HydrophobicContact CZ-CZ 3.84Å |
| 494 | Q | 79.5 | Confident | 71.6 | Confident | 117 Ų | 117 | 79.1 Ų | 79.1 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.4 | 174.7 | -75.3 | -158.6 | -4.6 | 0 | 0 | 112 | N496 G561 | Q494-N496 PolarHBondContact OE1-ND2 2.83Å; Q494-G561 WeakPolarHBondContact CA-O 3.34Å |
| 495 | K | 81.8 | Confident | 74.2 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 2% | 0.022 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 86.7 | 174.4 | -173.8 | 178.6 | 169.8 | -143.3 | 0 | 110.1 | M501 M523 L556 R557 M559 R560 G561 I563 | K495-M501 HydrophobicContact CD-CG 4.23Å; K495-M523 HydrophobicContact CB-CE 4.48Å; K495-M523 HydrophobicContact CB-SD 4.18Å; K495-M523 HydrophobicContact CG-CE 4.06Å; K495-M523 HydrophobicContact CG-SD 4.17Å; K495-L556 PolarHBondContact NZ-O 3.34Å; K495-R557 PolarHBondContact NZ-O 2.79Å; K495-M559 WeakPolarHBondContact CD-O 3.39Å; K495-M559 PolarHBondContact NZ-O 3.47Å; K495-R560 WeakPolarHBondContact O-CA 3.26Å; K495-G561 PolarHBondContact N-O 2.88Å; K495-G561 PolarHBondContact O-N 2.84Å; K495-I563 HydrophobicContact CB-CD1 3.76Å; K495-I563 HydrophobicContact CD-CD1 3.81Å; K495-I563 HydrophobicContact CG-CD1 4.44Å |
| 496 | N | 75.1 | Confident | 76.7 | Confident | 108 Ų | 108 | 72.1 Ų | 72.1 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | trans | -97.5 | 3.6 | -176.2 | -60.8 | -18.4 | 0 | 0 | 0 | 113.4 | Q494 | Q494-N496 PolarHBondContact OE1-ND2 2.83Š| ||
| 497 | T | 73 | Confident | 78.4 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -126.5 | 166.4 | -178.3 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | E499 R560 | T497-E499 PolarHBondContact O-N 3.47Å; T497-E499 VanDerWaalsContact OG1-CB 3.24Å; T497-E499 WeakPolarHBondContact OG1-CB 3.46Å; T497-E499 PolarHBondContact OG1-N 3.34Å; T497-R560 PolarHBondContact O-NE 3.33Å |
| 498 | N | 71.1 | Confident | 79.6 | Confident | 140 Ų | 140 | 63 Ų | 63 | 75% | 0.749 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -78.5 | 6.7 | 168.1 | -68.5 | -16 | 0 | 0 | 0 | 112.9 | R560 | N498-R560 PolarHBondContact OD1-NE 2.87Å; N498-R560 PolarHBondContact OD1-NH2 2.91Å |
| 499 | E | 75.6 | Confident | 79.8 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | trans | -64.9 | 138.6 | 177.2 | -164.2 | -169.5 | 146.8 | 0 | 0 | 110.3 | T497 M523 R526 | T497-E499 PolarHBondContact O-N 3.47Å; T497-E499 VanDerWaalsContact OG1-CB 3.24Å; T497-E499 WeakPolarHBondContact OG1-CB 3.46Å; T497-E499 PolarHBondContact OG1-N 3.34Å; E499-M523 PolarHBondContact OE1-N 3.46Å; E499-R526 IonicContact OE1-CZ 3.6Å; E499-R526 IonicContact OE1-NH2 3.66Å; E499-R526 PolarHBondContact OE1-NH2 3.06Å; E499-R526 IonicContact OE2-CZ 2.83Å; E499-R526 IonicContact OE2-NH2 3.13Å; E499-R526 PolarHBondContact OE2-NH2 3.45Å | ||
| 500 | P | 75.9 | Confident | 79.7 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | trans | -63.4 | 150 | 167.8 | 28.7 | -35.4 | 0 | 0 | 0 | 110.3 | G502 | P500-G502 PolarHBondContact O-N 3.02Å; P500-G502 VanDerWaalsContact O-N 3.12Å | ||
| 501 | M | 80.1 | Confident | 79.6 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 6% | 0.064 | 35% | 0.349 | C | S | . | . | trans | -65.1 | -18.5 | -178.7 | -73.1 | 171.2 | 51.8 | 0 | 0 | 113.9 | F493 K495 I503 M523 I524 L556 F565 | F493-M501 HydrophobicContact CD2-CE 4.46Å; F493-M501 HydrophobicContact CE1-CE 4.2Å; F493-M501 HydrophobicContact CE2-CE 3.38Å; F493-M501 HydrophobicContact CE2-CG 4.44Å; F493-M501 HydrophobicContact CE2-SD 3.77Å; F493-M501 HydrophobicContact CZ-CE 3.24Å; F493-M501 HydrophobicContact CZ-SD 4.07Å; K495-M501 HydrophobicContact CD-CG 4.23Å; M501-I503 HydrophobicContact CB-CG1 4.35Å; M501-I503 HydrophobicContact CE-CD1 3.86Å; M501-I503 HydrophobicContact CE-CG1 4.48Å; M501-M523 PolarHBondContact O-N 3.41Å; M501-I524 HydrophobicContact CB-CG1 4.15Å; M501-I524 HydrophobicContact CE-CD1 4.04Å; M501-I524 HydrophobicContact CE-CG1 4.03Å; M501-I524 WeakPolarHBondContact O-CG1 3.31Å; M501-I524 PolarHBondContact O-N 2.81Å; M501-L556 HydrophobicContact CE-CD2 4.43Å; M501-L556 HydrophobicContact SD-CD2 3.84Å; M501-F565 HydrophobicContact CE-CE1 4.49Å; M501-F565 HydrophobicContact CE-CE2 4.12Å; M501-F565 HydrophobicContact CE-CZ 3.69Å | ||
| 502 | G | 84.1 | Confident | 79.6 | Confident | 7 Ų | 7 | 69 Ų | 69 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 75.9 | 38.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | P500 M519 | P500-G502 PolarHBondContact O-N 3.02Å; P500-G502 VanDerWaalsContact O-N 3.12Å; G502-M519 PolarHBondContact O-N 3.38Å |
| 503 | I | 85.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.1 | 170.9 | 63.1 | 175.8 | 0 | 0 | 0 | 109.9 | M501 L505 R517 I518 I524 L530 F565 | M501-I503 HydrophobicContact CB-CG1 4.35Å; M501-I503 HydrophobicContact CE-CD1 3.86Å; M501-I503 HydrophobicContact CE-CG1 4.48Å; I503-L505 HydrophobicContact CD1-CD2 4.13Å; I503-R517 CarbonylContact C-O 3.51Å; I503-R517 VanDerWaalsContact CA-O 3.29Å; I503-R517 WeakPolarHBondContact CA-O 3.49Å; I503-I518 HydrophobicContact CG2-CG1 4.21Å; I503-I524 HydrophobicContact CG2-CB 3.78Å; I503-I524 HydrophobicContact CG2-CG1 3.85Å; I503-I524 HydrophobicContact CG2-CG2 3.77Å; I503-L530 HydrophobicContact CD1-CD1 4.37Å; I503-F565 HydrophobicContact CD1-CE2 4.19Å |
| 504 | T | 83.2 | Confident | 80 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 149.8 | 163.2 | 64.6 | 0 | 0 | 0 | 0 | 109.6 | A516 R517 C647 | T504-A516 PolarHBondContact O-N 3.01Å; T504-R517 PolarHBondContact N-O 3.41Å; T504-R517 PolarHBondContact O-N 3.38Å; T504-R517 VanDerWaalsContact OG1-CB 3.23Å; T504-R517 WeakPolarHBondContact OG1-CB 3.27Å; T504-R517 PolarHBondContact OG1-N 2.8Å; T504-C647 HydrophobicContact CG2-CB 4.21Å |
| 505 | L | 85.5 | Confident | 80.3 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.1 | -179 | -59 | 178.4 | 0 | 0 | 0 | 109.2 | I503 I514 V515 I536 V549 L552 L556 | I503-L505 HydrophobicContact CD1-CD2 4.13Å; L505-I514 WeakPolarHBondContact CA-O 3.36Å; L505-V515 HydrophobicContact CD2-CG2 4.3Å; L505-I536 HydrophobicContact CD2-CD1 3.6Å; L505-V549 HydrophobicContact CB-CG1 4.42Å; L505-L552 HydrophobicContact CD1-CB 4.44Å; L505-L556 HydrophobicContact CD1-CD1 3.74Å |
| 506 | K | 84.4 | Confident | 80.4 | Confident | 116 Ų | 116 | 59.4 Ų | 59.4 | 50% | 0.504 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.4 | 166.1 | 71.5 | -177.9 | -172.9 | 173.3 | 0 | 109.9 | I514 A516 | K506-I514 HydrophobicContact CD-CD1 4.29Å; K506-I514 HydrophobicContact CG-CD1 3.94Å; K506-I514 HydrophobicContact CG-CG1 3.65Å; K506-I514 PolarHBondContact N-O 3Å; K506-I514 WeakPolarHBondContact O-CG1 3.46Å; K506-I514 PolarHBondContact O-N 3.02Å; K506-A516 HydrophobicContact CB-CB 4.08Å; K506-A516 HydrophobicContact CD-CB 4Å; K506-A516 HydrophobicContact CG-CB 3.87Å |
| 507 | M | 82.8 | Confident | 80.8 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 144.5 | 164.9 | -53.7 | -57.9 | -91 | 0 | 0 | 108.6 | N511 H512 C513 Q547 V549 | M507-N511 HydrophobicContact CE-CB 4.48Å; M507-N511 WeakPolarHBondContact CE-O 3.23Å; M507-H512 CarbonylContact C-O 3.57Å; M507-H512 WeakPolarHBondContact CA-O 3.22Å; M507-C513 HydrophobicContact SD-CB 3.83Å; M507-Q547 WeakPolarHBondContact CE-O 3.49Å; M507-V549 HydrophobicContact CG-CG2 3.81Å; M507-V549 HydrophobicContact SD-CG2 4.33Å |
| 508 | N | 78.1 | Confident | 81.3 | Confident | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.219 | 29% | 0.286 | C | S | . | . | trans | -89.6 | 178.6 | 166.8 | 72.3 | 2.1 | 0 | 0 | 0 | 110.8 | L510 N511 H512 I514 | N508-L510 PolarHBondContact O-N 2.81Å; N508-L510 WeakPolarHBondContact OD1-CA 3.46Å; N508-L510 PolarHBondContact OD1-N 2.9Å; N508-N511 PolarHBondContact O-N 3.47Å; N508-N511 PolarHBondContact OD1-N 3.32Å; N508-H512 PolarHBondContact N-O 3.48Å; N508-H512 WeakPolarHBondContact OD1-CB 3.49Å; N508-H512 PolarHBondContact OD1-N 3Å; N508-H512 PolarHBondContact OD1-O 3.37Å; N508-I514 HydrophobicContact CB-CD1 4.15Å | ||
| 509 | D | 75.3 | Confident | 81.9 | Confident | 144 Ų | 144 | 47.9 Ų | 47.9 | 77% | 0.77 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.7 | -179.1 | -46.4 | -58.7 | 0 | 0 | 0 | 113.6 | ||
| 510 | L | 77.2 | Confident | 82 | Confident | 125 Ų | 125 | 48 Ų | 48 | 65% | 0.654 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 12.6 | 175.4 | -55.2 | 177.9 | 0 | 0 | 0 | 112.7 | N508 H512 | N508-L510 PolarHBondContact O-N 2.81Å; N508-L510 WeakPolarHBondContact OD1-CA 3.46Å; N508-L510 PolarHBondContact OD1-N 2.9Å; L510-H512 PolarHBondContact O-CD2 2.89Å; L510-H512 VanDerWaalsContact O-CD2 3.29Å; L510-H512 PolarHBondContact O-N 3.38Å |
| 511 | N | 76.5 | Confident | 81.9 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 60% | 0.599 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 56.6 | 25.8 | -174.8 | -70.8 | -41.4 | 0 | 0 | 0 | 115.2 | M507 N508 | M507-N511 HydrophobicContact CE-CB 4.48Å; M507-N511 WeakPolarHBondContact CE-O 3.23Å; N508-N511 PolarHBondContact O-N 3.47Å; N508-N511 PolarHBondContact OD1-N 3.32Å |
| 512 | H | 82.3 | Confident | 81.7 | Confident | 53 Ų | 53 | 45 Ų | 45 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | trans | -86.2 | 137.2 | 168.1 | -54.1 | 171.5 | 0 | 0 | 0 | 110.7 | M507 N508 L510 E535 R537 | M507-H512 CarbonylContact C-O 3.57Å; M507-H512 WeakPolarHBondContact CA-O 3.22Å; N508-H512 PolarHBondContact N-O 3.48Å; N508-H512 WeakPolarHBondContact OD1-CB 3.49Å; N508-H512 PolarHBondContact OD1-N 3Å; N508-H512 PolarHBondContact OD1-O 3.37Å; L510-H512 PolarHBondContact O-CD2 2.89Å; L510-H512 VanDerWaalsContact O-CD2 3.29Å; L510-H512 PolarHBondContact O-N 3.38Å; H512-E535 HydrophobicContact CB-CG 3.88Å; H512-E535 IonicContact CE1-OE2 3.49Å; H512-E535 IonicContact CG-OE2 2.66Å; H512-E535 VanDerWaalsContact ND1-CD 3.31Å; H512-E535 IonicContact ND1-OE1 3.53Å; H512-E535 IonicContact ND1-OE2 3Å; H512-E535 PolarHBondContact ND1-OE2 3.17Å; H512-R537 PolarHBondContact CE1-NH2 2.95Å | ||
| 513 | C | 85.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124.8 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | M507 E535 I536 V544 L552 | M507-C513 HydrophobicContact SD-CB 3.83Å; C513-E535 CarbonylContact O-C 3.53Å; C513-E535 WeakPolarHBondContact O-CA 3.31Å; C513-I536 PolarHBondContact O-N 2.99Å; C513-V544 HydrophobicContact CB-CG1 3.32Å; C513-L552 HydrophobicContact CB-CD1 4.36Å |
| 514 | I | 87.8 | Confident | 81.5 | Confident | 26 Ų | 26 | 44 Ų | 44 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.9 | 179.9 | 52.3 | 169.5 | 0 | 0 | 0 | 111.4 | L505 K506 N508 A516 D534 E535 | L505-I514 WeakPolarHBondContact CA-O 3.36Å; K506-I514 HydrophobicContact CD-CD1 4.29Å; K506-I514 HydrophobicContact CG-CD1 3.94Å; K506-I514 HydrophobicContact CG-CG1 3.65Å; K506-I514 PolarHBondContact N-O 3Å; K506-I514 WeakPolarHBondContact O-CG1 3.46Å; K506-I514 PolarHBondContact O-N 3.02Å; N508-I514 HydrophobicContact CB-CD1 4.15Å; I514-A516 PolarHBondContact O-N 3.16Å; I514-A516 VanDerWaalsContact O-N 3.12Å; I514-D534 WeakPolarHBondContact CA-O 3.09Å; I514-E535 HydrophobicContact CG2-CB 3.81Å; I514-E535 HydrophobicContact CG2-CG 3.83Å |
| 515 | V | 86.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 108.1 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | L505 I518 H531 G533 D534 I536 | L505-V515 HydrophobicContact CD2-CG2 4.3Å; V515-I518 HydrophobicContact CG1-CG1 4.1Å; V515-H531 WeakPolarHBondContact CB-O 3.45Å; V515-H531 WeakPolarHBondContact CG1-O 3.35Å; V515-G533 PolarHBondContact O-N 3.17Å; V515-D534 HydrophobicContact CG2-CB 4.22Å; V515-D534 PolarHBondContact N-O 2.64Å; V515-I536 HydrophobicContact CG2-CD1 4.03Å; V515-I536 HydrophobicContact CG2-CG1 4.26Å |
| 516 | A | 82.5 | Confident | 81.1 | Confident | 30 Ų | 30 | 53 Ų | 53 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -35.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T504 K506 I514 V532 | T504-A516 PolarHBondContact O-N 3.01Å; K506-A516 HydrophobicContact CB-CB 4.08Å; K506-A516 HydrophobicContact CD-CB 4Å; K506-A516 HydrophobicContact CG-CB 3.87Å; I514-A516 PolarHBondContact O-N 3.16Å; I514-A516 VanDerWaalsContact O-N 3.12Å; A516-V532 WeakPolarHBondContact O-CG1 3.48Å |
| 517 | R | 84.2 | Confident | 80.7 | Confident | 34 Ų | 34 | 51.4 Ų | 51.4 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 154.4 | 178.7 | -158.7 | -178.8 | -57.9 | -69.7 | 2.8 | 111.2 | I503 T504 M519 D667 | I503-R517 CarbonylContact C-O 3.51Å; I503-R517 VanDerWaalsContact CA-O 3.29Å; I503-R517 WeakPolarHBondContact CA-O 3.49Å; T504-R517 PolarHBondContact N-O 3.41Å; T504-R517 PolarHBondContact O-N 3.38Å; T504-R517 VanDerWaalsContact OG1-CB 3.23Å; T504-R517 WeakPolarHBondContact OG1-CB 3.27Å; T504-R517 PolarHBondContact OG1-N 2.8Å; R517-M519 HydrophobicContact CG-SD 4.45Å; R517-D667 IonicContact CZ-OD2 3.59Å; R517-D667 IonicContact NH1-OD2 3.81Å; R517-D667 PolarHBondContact NH1-OD2 2.67Å; R517-D667 IonicContact NH2-OD2 2.84Å; R517-D667 PolarHBondContact NH2-OD2 2.91Å |
| 518 | I | 84.6 | Confident | 80.2 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.8 | 167.1 | -59.2 | 176.5 | 0 | 0 | 0 | 108.6 | I503 V515 I524 H525 L530 V532 Q672 | I503-I518 HydrophobicContact CG2-CG1 4.21Å; V515-I518 HydrophobicContact CG1-CG1 4.1Å; I518-I524 HydrophobicContact CD1-CG2 4.39Å; I518-I524 HydrophobicContact CG2-CG2 4.45Å; I518-H525 HydrophobicContact CG2-CB 3.8Å; I518-L530 WeakPolarHBondContact CD1-O 3.38Å; I518-V532 HydrophobicContact CD1-CG2 4.36Å; I518-V532 HydrophobicContact CG1-CG2 4.03Å; I518-Q672 PolarHBondContact O-NE2 3.16Å |
| 519 | M | 81.9 | Confident | 80.1 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | trans | -90.5 | 121.9 | -177.9 | -55.1 | -56.5 | -64.4 | 0 | 0 | 110.1 | G502 R517 G521 G522 H525 Q672 T682 A683 L685 | G502-M519 PolarHBondContact O-N 3.38Å; R517-M519 HydrophobicContact CG-SD 4.45Å; M519-G521 PolarHBondContact O-N 3.41Å; M519-G522 PolarHBondContact O-N 3.28Å; M519-H525 WeakPolarHBondContact O-CB 3.32Å; M519-Q672 HydrophobicContact CE-CG 4.48Å; M519-T682 HydrophobicContact CB-CG2 4.03Å; M519-A683 WeakPolarHBondContact CE-O 3.47Å; M519-L685 HydrophobicContact CE-CD2 3.9Å; M519-L685 HydrophobicContact CE-CG 4.15Å; M519-L685 HydrophobicContact SD-CD2 4.3Å | ||
| 520 | H | 78.1 | Confident | 80.3 | Confident | 54 Ų | 54 | 44 Ų | 44 | 25% | 0.25 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 131.7 | -177.9 | -82.3 | 82.8 | 0 | 0 | 0 | 111.6 | G522 H525 I663 S664 D666 Q672 A683 | H520-G522 VanDerWaalsContact C-N 3.25Å; H520-G522 PolarHBondContact O-N 3.4Å; H520-H525 AromaticContact CD2-CD2 3.77Å; H520-H525 AromaticContact CD2-CE1 3.88Å; H520-H525 AromaticContact CD2-NE2 3.15Å; H520-H525 PolarHBondContact CD2-NE2 2.99Å; H520-H525 AromaticContact CG-NE2 3.83Å; H520-H525 AromaticContact NE2-NE2 3.63Å; H520-I663 HydrophobicContact CB-CG2 3.47Å; H520-I663 VanDerWaalsContact CB-CG2 3.47Å; H520-S664 VanDerWaalsContact CE1-CB 3.48Å; H520-S664 WeakPolarHBondContact CE1-CB 3.37Å; H520-D666 IonicContact CE1-OD2 3.03Å; H520-Q672 PolarHBondContact ND1-OE1 3.48Å; H520-A683 HydrophobicContact CB-CB 4.18Å; H520-A683 WeakPolarHBondContact O-CB 3.32Å; H520-A683 PolarHBondContact O-N 3.5Å |
| 521 | G | 73.4 | Confident | 80.5 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -9.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | M519 H525 R526 | M519-G521 PolarHBondContact O-N 3.41Å; G521-H525 PolarHBondContact N-ND1 3.11Å; G521-R526 PolarHBondContact O-NE 2.95Å |
| 522 | G | 77.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -65.9 | 168.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M519 H520 I524 H525 R526 | M519-G522 PolarHBondContact O-N 3.28Å; H520-G522 VanDerWaalsContact C-N 3.25Å; H520-G522 PolarHBondContact O-N 3.4Å; G522-I524 PolarHBondContact O-N 3.21Å; G522-H525 PolarHBondContact O-N 3.18Å; G522-R526 WeakPolarHBondContact O-CG 3.47Å; G522-R526 PolarHBondContact O-N 3.4Å |
| 523 | M | 81.2 | Confident | 80.7 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -52.2 | -49.7 | -178.3 | -174.3 | 177.3 | -70.9 | 0 | 0 | 113.3 | K495 E499 M501 R526 Q527 | K495-M523 HydrophobicContact CB-CE 4.48Å; K495-M523 HydrophobicContact CB-SD 4.18Å; K495-M523 HydrophobicContact CG-CE 4.06Å; K495-M523 HydrophobicContact CG-SD 4.17Å; E499-M523 PolarHBondContact OE1-N 3.46Å; M501-M523 PolarHBondContact O-N 3.41Å; M523-R526 PolarHBondContact O-N 2.92Å; M523-Q527 WeakPolarHBondContact O-CG 3.28Å; M523-Q527 PolarHBondContact O-N 2.89Å |
| 524 | I | 83.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.9 | -41.2 | -179 | -67.3 | -61.8 | 0 | 0 | 0 | 111.7 | F493 M501 I503 I518 G522 R526 Q527 G528 L530 | F493-I524 HydrophobicContact CD1-CD1 4.18Å; F493-I524 HydrophobicContact CD2-CD1 4.38Å; F493-I524 HydrophobicContact CE1-CD1 4.31Å; F493-I524 HydrophobicContact CE2-CD1 4.49Å; F493-I524 HydrophobicContact CG-CD1 4.24Å; F493-I524 HydrophobicContact CZ-CD1 4.48Å; M501-I524 HydrophobicContact CB-CG1 4.15Å; M501-I524 HydrophobicContact CE-CD1 4.04Å; M501-I524 HydrophobicContact CE-CG1 4.03Å; M501-I524 WeakPolarHBondContact O-CG1 3.31Å; M501-I524 PolarHBondContact O-N 2.81Å; I503-I524 HydrophobicContact CG2-CB 3.78Å; I503-I524 HydrophobicContact CG2-CG1 3.85Å; I503-I524 HydrophobicContact CG2-CG2 3.77Å; I518-I524 HydrophobicContact CD1-CG2 4.39Å; I518-I524 HydrophobicContact CG2-CG2 4.45Å; G522-I524 PolarHBondContact O-N 3.21Å; I524-R526 VanDerWaalsContact C-N 3.29Å; I524-R526 PolarHBondContact O-N 2.97Å; I524-Q527 PolarHBondContact O-N 3.31Å; I524-Q527 VanDerWaalsContact O-N 3.07Å; I524-G528 PolarHBondContact O-N 3.47Å; I524-L530 HydrophobicContact CD1-CD1 4.04Å; I524-L530 HydrophobicContact CG1-CD1 4.39Å; I524-L530 HydrophobicContact CG2-CB 3.87Å; I524-L530 HydrophobicContact CG2-CD1 4.23Å; I524-L530 HydrophobicContact CG2-CG 4.31Å |
| 525 | H | 80.5 | Confident | 80.7 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 38% | 0.375 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 174.2 | 179.3 | -81.7 | 0 | 0 | 0 | 112.1 | I518 M519 H520 G521 G522 Q527 | I518-H525 HydrophobicContact CG2-CB 3.8Å; M519-H525 WeakPolarHBondContact O-CB 3.32Å; H520-H525 AromaticContact CD2-CD2 3.77Å; H520-H525 AromaticContact CD2-CE1 3.88Å; H520-H525 AromaticContact CD2-NE2 3.15Å; H520-H525 PolarHBondContact CD2-NE2 2.99Å; H520-H525 AromaticContact CG-NE2 3.83Å; H520-H525 AromaticContact NE2-NE2 3.63Å; G521-H525 PolarHBondContact N-ND1 3.11Å; G522-H525 PolarHBondContact O-N 3.18Å; H525-Q527 PolarHBondContact O-N 3.08Å |
| 526 | R | 79.7 | Confident | 80.8 | Confident | 154 Ų | 154 | 39 Ų | 39 | 58% | 0.581 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -69.1 | -19.3 | 177.7 | -75 | -175.6 | -77.5 | 147.2 | -2.6 | 113.8 | E499 G521 G522 M523 I524 | E499-R526 IonicContact OE1-CZ 3.6Å; E499-R526 IonicContact OE1-NH2 3.66Å; E499-R526 PolarHBondContact OE1-NH2 3.06Å; E499-R526 IonicContact OE2-CZ 2.83Å; E499-R526 IonicContact OE2-NH2 3.13Å; E499-R526 PolarHBondContact OE2-NH2 3.45Å; G521-R526 PolarHBondContact O-NE 2.95Å; G522-R526 WeakPolarHBondContact O-CG 3.47Å; G522-R526 PolarHBondContact O-N 3.4Å; M523-R526 PolarHBondContact O-N 2.92Å; I524-R526 VanDerWaalsContact C-N 3.29Å; I524-R526 PolarHBondContact O-N 2.97Å |
| 527 | Q | 75.1 | Confident | 80.9 | Confident | 84 Ų | 84 | 42.4 Ų | 42.4 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -102 | -21.5 | -179.2 | -69.6 | 176.7 | -4.8 | 0 | 0 | 113.5 | M523 I524 H525 T529 | M523-Q527 WeakPolarHBondContact O-CG 3.28Å; M523-Q527 PolarHBondContact O-N 2.89Å; I524-Q527 PolarHBondContact O-N 3.31Å; I524-Q527 VanDerWaalsContact O-N 3.07Å; H525-Q527 PolarHBondContact O-N 3.08Å; Q527-T529 HydrophobicContact CB-CG2 3.9Å; Q527-T529 PolarHBondContact O-N 3.38Å |
| 528 | G | 74.3 | Confident | 81.1 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 26.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I524 | I524-G528 PolarHBondContact O-N 3.47Š|
| 529 | T | 74.5 | Confident | 81.3 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | trans | -92.3 | -24.9 | -166.4 | 40 | 0 | 0 | 0 | 0 | 114.9 | V491 Q527 | V491-T529 HydrophobicContact CG1-CG2 4.35Å; Q527-T529 HydrophobicContact CB-CG2 3.9Å; Q527-T529 PolarHBondContact O-N 3.38Å | ||
| 530 | L | 80.7 | Confident | 81.4 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -127.3 | 157 | 176.9 | -60.8 | 172 | 0 | 0 | 0 | 109.4 | V491 I503 I518 I524 F565 I567 | V491-L530 HydrophobicContact CB-CD2 4.16Å; V491-L530 HydrophobicContact CG1-CD2 3.98Å; V491-L530 HydrophobicContact CG1-CG 4.37Å; V491-L530 HydrophobicContact CG2-CD2 4.13Å; I503-L530 HydrophobicContact CD1-CD1 4.37Å; I518-L530 WeakPolarHBondContact CD1-O 3.38Å; I524-L530 HydrophobicContact CD1-CD1 4.04Å; I524-L530 HydrophobicContact CG1-CD1 4.39Å; I524-L530 HydrophobicContact CG2-CB 3.87Å; I524-L530 HydrophobicContact CG2-CD1 4.23Å; I524-L530 HydrophobicContact CG2-CG 4.31Å; L530-F565 HydrophobicContact CD1-CD2 3.69Å; L530-F565 HydrophobicContact CD1-CE2 3.71Å; L530-F565 HydrophobicContact CD2-CD2 4.18Å; L530-I567 HydrophobicContact CD2-CD1 3.94Å; L530-I567 HydrophobicContact CD2-CG2 4.08Å | ||
| 531 | H | 80.9 | Confident | 81.4 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | trans | -124.7 | 161.2 | 177.9 | -54.9 | 85.3 | 0 | 0 | 0 | 111.3 | V515 G533 D534 | V515-H531 WeakPolarHBondContact CB-O 3.45Å; V515-H531 WeakPolarHBondContact CG1-O 3.35Å; H531-G533 PolarHBondContact O-N 2.57Å; H531-D534 PolarHBondContact N-OD2 3.33Å; H531-D534 IonicContact ND1-OD2 3.24Å; H531-D534 WeakPolarHBondContact O-CB 3.12Å; H531-D534 PolarHBondContact O-N 3.24Å | ||
| 532 | V | 81.9 | Confident | 81.8 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 130.8 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | A516 I518 | A516-V532 WeakPolarHBondContact O-CG1 3.48Å; I518-V532 HydrophobicContact CD1-CG2 4.36Å; I518-V532 HydrophobicContact CG1-CG2 4.03Å |
| 533 | G | 80.7 | Confident | 82 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -14.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V515 H531 E535 S570 | V515-G533 PolarHBondContact O-N 3.17Å; H531-G533 PolarHBondContact O-N 2.57Å; G533-E535 PolarHBondContact O-N 3.16Å; G533-S570 WeakPolarHBondContact O-CB 3.45Å |
| 534 | D | 84.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -57.3 | 129.9 | 177 | -76.1 | -14.3 | 0 | 0 | 0 | 110.5 | I514 V515 H531 I567 P569 S570 | I514-D534 WeakPolarHBondContact CA-O 3.09Å; V515-D534 HydrophobicContact CG2-CB 4.22Å; V515-D534 PolarHBondContact N-O 2.64Å; H531-D534 PolarHBondContact N-OD2 3.33Å; H531-D534 IonicContact ND1-OD2 3.24Å; H531-D534 WeakPolarHBondContact O-CB 3.12Å; H531-D534 PolarHBondContact O-N 3.24Å; D534-I567 HydrophobicContact CB-CD1 4.2Å; D534-P569 WeakPolarHBondContact OD1-CA 3.1Å; D534-S570 PolarHBondContact OD1-N 3.01Å | ||
| 535 | E | 88.2 | Confident | 81.8 | Confident | 28 Ų | 28 | 53 Ų | 53 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.9 | -178 | -171.1 | -172.8 | 96.4 | 0 | 0 | 110.3 | H512 C513 I514 G533 R537 I567 V568 | H512-E535 HydrophobicContact CB-CG 3.88Å; H512-E535 IonicContact CE1-OE2 3.49Å; H512-E535 IonicContact CG-OE2 2.66Å; H512-E535 VanDerWaalsContact ND1-CD 3.31Å; H512-E535 IonicContact ND1-OE1 3.53Å; H512-E535 IonicContact ND1-OE2 3Å; H512-E535 PolarHBondContact ND1-OE2 3.17Å; C513-E535 CarbonylContact O-C 3.53Å; C513-E535 WeakPolarHBondContact O-CA 3.31Å; I514-E535 HydrophobicContact CG2-CB 3.81Å; I514-E535 HydrophobicContact CG2-CG 3.83Å; G533-E535 PolarHBondContact O-N 3.16Å; E535-R537 IonicContact OE1-CZ 3.67Å; E535-R537 IonicContact OE1-NE 2.69Å; E535-R537 PolarHBondContact OE1-NE 3.24Å; E535-R537 IonicContact OE1-NH2 3.88Å; E535-R537 PolarHBondContact OE1-NH2 3.38Å; E535-I567 CarbonylContact O-C 3.36Å; E535-I567 WeakPolarHBondContact O-CA 3.44Å; E535-I567 WeakPolarHBondContact O-CB 3.41Å; E535-V568 HydrophobicContact CB-CB 4.24Å; E535-V568 PolarHBondContact N-O 2.92Å; E535-V568 PolarHBondContact O-N 3.18Å |
| 536 | I | 88.4 | Confident | 81.5 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.1 | -176.6 | -48.4 | 176.8 | 0 | 0 | 0 | 109.1 | L505 C513 V515 I539 V544 F565 I567 | L505-I536 HydrophobicContact CD2-CD1 3.6Å; C513-I536 PolarHBondContact O-N 2.99Å; V515-I536 HydrophobicContact CG2-CD1 4.03Å; V515-I536 HydrophobicContact CG2-CG1 4.26Å; I536-I539 HydrophobicContact CG2-CD1 4.25Å; I536-I539 HydrophobicContact CG2-CG1 3.77Å; I536-V544 HydrophobicContact CG2-CG2 4.06Å; I536-F565 HydrophobicContact CD1-CD2 3.91Å; I536-F565 HydrophobicContact CD1-CE2 3.66Å; I536-F565 HydrophobicContact CD1-CZ 4.46Å; I536-F565 HydrophobicContact CG1-CD2 4.34Å; I536-F565 HydrophobicContact CG2-CD2 4.25Å; I536-F565 HydrophobicContact CG2-CG 4.32Å; I536-I567 HydrophobicContact CG1-CG2 4.28Å |
| 537 | R | 86.3 | Confident | 81.5 | Confident | 103 Ų | 103 | 51 Ų | 51 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -43 | 178.5 | -72.2 | -76.5 | 174.4 | 156.1 | -6 | 112.6 | H512 E535 V544 K566 V568 | H512-R537 PolarHBondContact CE1-NH2 2.95Å; E535-R537 IonicContact OE1-CZ 3.67Å; E535-R537 IonicContact OE1-NE 2.69Å; E535-R537 PolarHBondContact OE1-NE 3.24Å; E535-R537 IonicContact OE1-NH2 3.88Å; E535-R537 PolarHBondContact OE1-NH2 3.38Å; R537-V544 PolarHBondContact O-N 3.09Å; R537-K566 PolarHBondContact N-O 3.43Å; R537-V568 HydrophobicContact CG-CG2 4.28Å |
| 538 | E | 88.4 | Confident | 81.7 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.1 | 179.2 | -61.6 | 160 | -152.2 | 0 | 0 | 111.6 | I542 F565 K566 | E538-I542 CarbonylContact C-O 3.55Å; E538-I542 WeakPolarHBondContact CA-O 3.14Å; E538-F565 WeakPolarHBondContact O-CA 3.4Å; E538-K566 HydrophobicContact CB-CB 3.83Å; E538-K566 HydrophobicContact CB-CD 4.23Å; E538-K566 HydrophobicContact CG-CB 4.48Å; E538-K566 HydrophobicContact CG-CD 4.01Å; E538-K566 PolarHBondContact N-O 2.98Å; E538-K566 PolarHBondContact O-N 3.23Å; E538-K566 VanDerWaalsContact OE1-CD 3.25Å; E538-K566 WeakPolarHBondContact OE1-CD 3.44Å; E538-K566 WeakPolarHBondContact OE1-CE 3.46Å; E538-K566 IonicContact OE1-NZ 2.79Å; E538-K566 PolarHBondContact OE1-NZ 3.06Å; E538-K566 WeakPolarHBondContact OE2-CD 3.38Å; E538-K566 IonicContact OE2-NZ 2.78Å |
| 539 | I | 87.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.3 | 172 | -59.7 | 168.8 | 0 | 0 | 0 | 107.8 | I536 G541 I542 V544 L552 L556 M559 I563 F565 | I536-I539 HydrophobicContact CG2-CD1 4.25Å; I536-I539 HydrophobicContact CG2-CG1 3.77Å; I539-G541 PolarHBondContact O-N 3.38Å; I539-G541 VanDerWaalsContact O-N 3.17Å; I539-I542 PolarHBondContact N-O 2.83Å; I539-I542 WeakPolarHBondContact O-CB 3.35Å; I539-I542 PolarHBondContact O-N 3.14Å; I539-V544 HydrophobicContact CD1-CG2 3.81Å; I539-V544 HydrophobicContact CG1-CG2 3.74Å; I539-L552 HydrophobicContact CD1-CD2 4.12Å; I539-L556 HydrophobicContact CD1-CD1 4.36Å; I539-L556 HydrophobicContact CD1-CD2 4.29Å; I539-L556 HydrophobicContact CD1-CG 4.39Å; I539-L556 HydrophobicContact CG2-CD2 4.34Å; I539-M559 HydrophobicContact CG2-CE 3.37Å; I539-M559 HydrophobicContact CG2-SD 4.15Å; I539-I563 HydrophobicContact CG2-CG2 4.23Å; I539-F565 HydrophobicContact CB-CD1 4.27Å; I539-F565 HydrophobicContact CB-CE1 4.27Å; I539-F565 HydrophobicContact CD1-CE1 4.17Å; I539-F565 HydrophobicContact CD1-CZ 4.43Å; I539-F565 HydrophobicContact CG1-CD1 3.86Å; I539-F565 HydrophobicContact CG1-CE1 3.78Å; I539-F565 HydrophobicContact CG1-CZ 4.41Å; I539-F565 HydrophobicContact CG2-CD1 3.93Å; I539-F565 HydrophobicContact CG2-CE1 3.66Å |
| 540 | N | 84.8 | Confident | 82.2 | Confident | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 34.7 | -174.2 | -77 | -12.2 | 0 | 0 | 0 | 113.9 | I542 M559 I563 T564 | N540-I542 VanDerWaalsContact C-N 3.26Å; N540-I542 PolarHBondContact O-N 3.39Å; N540-M559 PolarHBondContact ND2-SD 3.22Å; N540-M559 VanDerWaalsContact ND2-SD 3.38Å; N540-I563 WeakPolarHBondContact OD1-CA 3.45Å; N540-T564 PolarHBondContact N-O 3.07Å; N540-T564 PolarHBondContact OD1-N 3.42Å |
| 541 | G | 77.4 | Confident | 82.2 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -0.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I539 | I539-G541 PolarHBondContact O-N 3.38Å; I539-G541 VanDerWaalsContact O-N 3.17Å |
| 542 | I | 82.8 | Confident | 82.3 | Confident | 85 Ų | 85 | 55.2 Ų | 55.2 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.3 | 171.4 | -53.7 | 176.4 | 0 | 0 | 0 | 108 | E538 I539 N540 M555 | E538-I542 CarbonylContact C-O 3.55Å; E538-I542 WeakPolarHBondContact CA-O 3.14Å; I539-I542 PolarHBondContact N-O 2.83Å; I539-I542 WeakPolarHBondContact O-CB 3.35Å; I539-I542 PolarHBondContact O-N 3.14Å; N540-I542 VanDerWaalsContact C-N 3.26Å; N540-I542 PolarHBondContact O-N 3.39Å; I542-M555 HydrophobicContact CD1-SD 4.39Å; I542-M555 HydrophobicContact CG2-CE 4.44Å |
| 543 | S | 81.9 | Confident | 82.1 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 136.4 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | A545 Q547 | S543-A545 VanDerWaalsContact C-N 3.35Å; S543-A545 PolarHBondContact OG-N 3.1Å; S543-Q547 PolarHBondContact O-NE2 3.45Å |
| 544 | V | 83.5 | Confident | 82.1 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | trans | -83.9 | -14.6 | 178.4 | 176 | 0 | 0 | 0 | 0 | 111.9 | C513 I536 R537 I539 Q547 L552 | C513-V544 HydrophobicContact CB-CG1 3.32Å; I536-V544 HydrophobicContact CG2-CG2 4.06Å; R537-V544 PolarHBondContact O-N 3.09Å; I539-V544 HydrophobicContact CD1-CG2 3.81Å; I539-V544 HydrophobicContact CG1-CG2 3.74Å; V544-Q547 PolarHBondContact O-N 3.39Å; V544-L552 HydrophobicContact CB-CD2 4.38Å; V544-L552 HydrophobicContact CG1-CD1 3.67Å; V544-L552 HydrophobicContact CG1-CD2 3.81Å; V544-L552 HydrophobicContact CG1-CG 4.4Å; V544-L552 HydrophobicContact CG2-CD2 4.14Å | ||
| 545 | A | 76.2 | Confident | 82 | Confident | 58 Ų | 58 | 61 Ų | 61 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 139.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S543 Q547 | S543-A545 VanDerWaalsContact C-N 3.35Å; S543-A545 PolarHBondContact OG-N 3.1Å; A545-Q547 PolarHBondContact O-N 3.07Å |
| 546 | N | 73.9 | Confident | 81.7 | Confident | 158 Ų | 158 | 60.4 Ų | 60.4 | 85% | 0.845 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 14.4 | -179.9 | -50.8 | -36.7 | 0 | 0 | 0 | 116.1 | ||
| 547 | Q | 79.9 | Confident | 81.3 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | trans | -98.4 | 144.9 | 170.5 | -59.5 | -168.6 | 35.7 | 0 | 0 | 111.6 | M507 S543 V544 A545 L552 | M507-Q547 WeakPolarHBondContact CE-O 3.49Å; S543-Q547 PolarHBondContact O-NE2 3.45Å; V544-Q547 PolarHBondContact O-N 3.39Å; A545-Q547 PolarHBondContact O-N 3.07Å; Q547-L552 HydrophobicContact CB-CD1 4.24Å; Q547-L552 HydrophobicContact CB-CD2 3.97Å; Q547-L552 HydrophobicContact CB-CG 3.89Å; Q547-L552 HydrophobicContact CG-CD2 4.48Å | ||
| 548 | T | 80.1 | Confident | 81 | Confident | 60 Ų | 60 | 68.2 Ų | 68.2 | 37% | 0.368 | 36% | 0.361 | S | S | . | . | trans | -80.9 | 160.1 | 173.8 | 85.6 | 0 | 0 | 0 | 0 | 111.6 | E550 Q551 L552 | T548-E550 WeakPolarHBondContact CB-OE2 3.41Å; T548-E550 PolarHBondContact O-N 2.95Å; T548-E550 PolarHBondContact OG1-OE2 2.93Å; T548-Q551 WeakPolarHBondContact O-CB 3.36Å; T548-Q551 PolarHBondContact O-N 3.27Å; T548-Q551 WeakPolarHBondContact OG1-CG 3.33Å; T548-Q551 PolarHBondContact OG1-N 3.29Å; T548-L552 WeakPolarHBondContact O-CG 3.44Å; T548-L552 PolarHBondContact O-N 3.37Å | ||
| 549 | V | 78.5 | Confident | 80.6 | Confident | 37 Ų | 37 | 67 Ų | 67 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 179.8 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | L505 M507 L552 Q553 | L505-V549 HydrophobicContact CB-CG1 4.42Å; M507-V549 HydrophobicContact CG-CG2 3.81Å; M507-V549 HydrophobicContact SD-CG2 4.33Å; V549-L552 PolarHBondContact O-N 3.45Å; V549-Q553 WeakPolarHBondContact O-CB 3.46Å; V549-Q553 PolarHBondContact O-N 3.01Å |
| 550 | E | 79.7 | Confident | 80.3 | Confident | 126 Ų | 126 | 72.2 Ų | 72.2 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.8 | -39.5 | 178.9 | -53.8 | 69.5 | -149.3 | 0 | 0 | 111.4 | T548 Q553 K554 | T548-E550 WeakPolarHBondContact CB-OE2 3.41Å; T548-E550 PolarHBondContact O-N 2.95Å; T548-E550 PolarHBondContact OG1-OE2 2.93Å; E550-Q553 PolarHBondContact O-N 2.84Å; E550-K554 WeakPolarHBondContact O-CB 3.49Å; E550-K554 PolarHBondContact O-N 2.79Å |
| 551 | Q | 81.9 | Confident | 80.2 | Confident | 101 Ų | 101 | 70 Ų | 70 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 175.4 | -68.2 | 171 | -14.4 | 0 | 0 | 110.8 | T548 K554 M555 | T548-Q551 WeakPolarHBondContact O-CB 3.36Å; T548-Q551 PolarHBondContact O-N 3.27Å; T548-Q551 WeakPolarHBondContact OG1-CG 3.33Å; T548-Q551 PolarHBondContact OG1-N 3.29Å; Q551-K554 PolarHBondContact O-N 3.06Å; Q551-M555 WeakPolarHBondContact O-CB 3.38Å; Q551-M555 PolarHBondContact O-N 3.22Å |
| 552 | L | 81.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.4 | -66.4 | 165 | 0 | 0 | 0 | 111.7 | L505 C513 I539 V544 Q547 T548 V549 M555 L556 | L505-L552 HydrophobicContact CD1-CB 4.44Å; C513-L552 HydrophobicContact CB-CD1 4.36Å; I539-L552 HydrophobicContact CD1-CD2 4.12Å; V544-L552 HydrophobicContact CB-CD2 4.38Å; V544-L552 HydrophobicContact CG1-CD1 3.67Å; V544-L552 HydrophobicContact CG1-CD2 3.81Å; V544-L552 HydrophobicContact CG1-CG 4.4Å; V544-L552 HydrophobicContact CG2-CD2 4.14Å; Q547-L552 HydrophobicContact CB-CD1 4.24Å; Q547-L552 HydrophobicContact CB-CD2 3.97Å; Q547-L552 HydrophobicContact CB-CG 3.89Å; Q547-L552 HydrophobicContact CG-CD2 4.48Å; T548-L552 WeakPolarHBondContact O-CG 3.44Å; T548-L552 PolarHBondContact O-N 3.37Å; V549-L552 PolarHBondContact O-N 3.45Å; L552-M555 PolarHBondContact O-N 3.32Å; L552-L556 VanDerWaalsContact O-CB 3.31Å; L552-L556 WeakPolarHBondContact O-CB 3.46Å; L552-L556 VanDerWaalsContact O-CG 3.29Å; L552-L556 WeakPolarHBondContact O-CG 3.37Å; L552-L556 PolarHBondContact O-N 2.74Å |
| 553 | Q | 78.8 | Confident | 80.6 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.8 | -169.8 | -164.6 | -0.5 | 0 | 0 | 111.4 | V549 E550 R557 E649 | V549-Q553 WeakPolarHBondContact O-CB 3.46Å; V549-Q553 PolarHBondContact O-N 3.01Å; E550-Q553 PolarHBondContact O-N 2.84Å; Q553-R557 WeakPolarHBondContact O-CB 3.41Å; Q553-R557 PolarHBondContact O-N 3.19Å; Q553-E649 PolarHBondContact NE2-OE1 3.4Å |
| 554 | K | 81.1 | Confident | 80.7 | Confident | 123 Ų | 123 | 64.1 Ų | 64.1 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 172.9 | -177.5 | -178.6 | 174.6 | -175.2 | 0 | 111.1 | E550 Q551 L556 R557 E558 | E550-K554 WeakPolarHBondContact O-CB 3.49Å; E550-K554 PolarHBondContact O-N 2.79Å; Q551-K554 PolarHBondContact O-N 3.06Å; K554-L556 PolarHBondContact O-N 2.66Å; K554-R557 WeakPolarHBondContact O-CB 3.32Å; K554-R557 PolarHBondContact O-N 3.17Å; K554-R557 VanDerWaalsContact O-N 3.08Å; K554-E558 WeakPolarHBondContact CE-OE1 3.48Å; K554-E558 WeakPolarHBondContact CG-OE1 3.28Å; K554-E558 IonicContact NZ-OE1 3.65Å; K554-E558 WeakPolarHBondContact O-CG 3.23Å; K554-E558 PolarHBondContact O-N 3.02Å |
| 555 | M | 81.9 | Confident | 81 | Confident | 43 Ų | 43 | 64 Ų | 64 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.9 | -49.7 | 177.7 | -169 | -165.8 | -66.3 | 0 | 0 | 111.2 | I542 Q551 L552 R557 E558 M559 | I542-M555 HydrophobicContact CD1-SD 4.39Å; I542-M555 HydrophobicContact CG2-CE 4.44Å; Q551-M555 WeakPolarHBondContact O-CB 3.38Å; Q551-M555 PolarHBondContact O-N 3.22Å; L552-M555 PolarHBondContact O-N 3.32Å; M555-R557 VanDerWaalsContact C-N 3.3Å; M555-R557 PolarHBondContact O-N 3.4Å; M555-E558 PolarHBondContact O-N 2.87Å; M555-M559 HydrophobicContact CB-CE 4.45Å; M555-M559 HydrophobicContact CG-CE 3.68Å; M555-M559 HydrophobicContact CG-SD 4.42Å; M555-M559 WeakPolarHBondContact O-CG 3.21Å; M555-M559 PolarHBondContact O-N 3.02Å; M555-M559 HydrophobicContact SD-CE 3.98Å |
| 556 | L | 81 | Confident | 81.3 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -29.8 | 177.1 | -73.5 | 168.1 | 0 | 0 | 0 | 113.3 | K495 M501 L505 I539 L552 K554 M559 F565 | K495-L556 PolarHBondContact NZ-O 3.34Å; M501-L556 HydrophobicContact CE-CD2 4.43Å; M501-L556 HydrophobicContact SD-CD2 3.84Å; L505-L556 HydrophobicContact CD1-CD1 3.74Å; I539-L556 HydrophobicContact CD1-CD1 4.36Å; I539-L556 HydrophobicContact CD1-CD2 4.29Å; I539-L556 HydrophobicContact CD1-CG 4.39Å; I539-L556 HydrophobicContact CG2-CD2 4.34Å; L552-L556 VanDerWaalsContact O-CB 3.31Å; L552-L556 WeakPolarHBondContact O-CB 3.46Å; L552-L556 VanDerWaalsContact O-CG 3.29Å; L552-L556 WeakPolarHBondContact O-CG 3.37Å; L552-L556 PolarHBondContact O-N 2.74Å; K554-L556 PolarHBondContact O-N 2.66Å; L556-M559 HydrophobicContact CD2-CE 3.77Å; L556-M559 HydrophobicContact CG-CE 4.25Å; L556-F565 HydrophobicContact CD1-CZ 4.38Å; L556-F565 HydrophobicContact CD2-CE1 3.64Å; L556-F565 HydrophobicContact CD2-CZ 3.53Å |
| 557 | R | 80.3 | Confident | 81.9 | Confident | 146 Ų | 146 | 56.9 Ų | 56.9 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.5 | -40.6 | 174.8 | -169.6 | -176.9 | -58.2 | -158.1 | 1.9 | 111.3 | K495 Q553 K554 M555 R560 E649 | K495-R557 PolarHBondContact NZ-O 2.79Å; Q553-R557 WeakPolarHBondContact O-CB 3.41Å; Q553-R557 PolarHBondContact O-N 3.19Å; K554-R557 WeakPolarHBondContact O-CB 3.32Å; K554-R557 PolarHBondContact O-N 3.17Å; K554-R557 VanDerWaalsContact O-N 3.08Å; M555-R557 VanDerWaalsContact C-N 3.3Å; M555-R557 PolarHBondContact O-N 3.4Å; R557-R560 PolarHBondContact O-NH1 2.99Å; R557-E649 IonicContact NH2-OE1 3.92Å |
| 558 | E | 80.8 | Confident | 82 | Confident | 124 Ų | 124 | 56.2 Ų | 56.2 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -78.3 | -37.4 | -177.2 | -71.3 | 170.9 | -177.3 | 0 | 0 | 112.8 | K554 M555 R560 | K554-E558 WeakPolarHBondContact CE-OE1 3.48Å; K554-E558 WeakPolarHBondContact CG-OE1 3.28Å; K554-E558 IonicContact NZ-OE1 3.65Å; K554-E558 WeakPolarHBondContact O-CG 3.23Å; K554-E558 PolarHBondContact O-N 3.02Å; M555-E558 PolarHBondContact O-N 2.87Å; E558-R560 PolarHBondContact O-NH1 3.09Å |
| 559 | M | 79.7 | Confident | 81.7 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | trans | -57.4 | 141.5 | 179.7 | -77.3 | -171.3 | -75.8 | 0 | 0 | 114 | K495 I539 N540 M555 L556 I563 | K495-M559 WeakPolarHBondContact CD-O 3.39Å; K495-M559 PolarHBondContact NZ-O 3.47Å; I539-M559 HydrophobicContact CG2-CE 3.37Å; I539-M559 HydrophobicContact CG2-SD 4.15Å; N540-M559 PolarHBondContact ND2-SD 3.22Å; N540-M559 VanDerWaalsContact ND2-SD 3.38Å; M555-M559 HydrophobicContact CB-CE 4.45Å; M555-M559 HydrophobicContact CG-CE 3.68Å; M555-M559 HydrophobicContact CG-SD 4.42Å; M555-M559 WeakPolarHBondContact O-CG 3.21Å; M555-M559 PolarHBondContact O-N 3.02Å; M555-M559 HydrophobicContact SD-CE 3.98Å; L556-M559 HydrophobicContact CD2-CE 3.77Å; L556-M559 HydrophobicContact CG-CE 4.25Å; M559-I563 HydrophobicContact CB-CD1 3.72Å; M559-I563 HydrophobicContact CB-CG1 4.22Å | ||
| 560 | R | 81.4 | Confident | 81.1 | Confident | 109 Ų | 109 | 54.2 Ų | 54.2 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | trans | -139.8 | 160.4 | 178.3 | -68.1 | -65.7 | 176.6 | -71.3 | -1.2 | 109.8 | K495 T497 N498 R557 E558 | K495-R560 WeakPolarHBondContact O-CA 3.26Å; T497-R560 PolarHBondContact O-NE 3.33Å; N498-R560 PolarHBondContact OD1-NE 2.87Å; N498-R560 PolarHBondContact OD1-NH2 2.91Å; R557-R560 PolarHBondContact O-NH1 2.99Å; E558-R560 PolarHBondContact O-NH1 3.09Å | ||
| 561 | G | 82.4 | Confident | 79.7 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.7 | -144.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q494 K495 | Q494-G561 WeakPolarHBondContact CA-O 3.34Å; K495-G561 PolarHBondContact N-O 2.88Å; K495-G561 PolarHBondContact O-N 2.84Å |
| 562 | S | 81.8 | Confident | 77.7 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 129.4 | 178.9 | -172 | 0 | 0 | 0 | 0 | 111.3 | Q492 | Q492-S562 WeakPolarHBondContact CG-OG 3.47Å; Q492-S562 PolarHBondContact NE2-OG 2.8Å |
| 563 | I | 86 | Confident | 75.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.3 | 174.3 | -56.7 | 174.9 | 0 | 0 | 0 | 107.8 | Q492 F493 K495 I539 N540 M559 F565 | Q492-I563 WeakPolarHBondContact CA-O 3.23Å; F493-I563 HydrophobicContact CD2-CB 4.15Å; F493-I563 HydrophobicContact CE1-CB 4.44Å; F493-I563 HydrophobicContact CE1-CG2 4.25Å; F493-I563 HydrophobicContact CE2-CB 3.58Å; F493-I563 HydrophobicContact CE2-CD1 4Å; F493-I563 HydrophobicContact CE2-CG1 4.29Å; F493-I563 HydrophobicContact CE2-CG2 3.82Å; F493-I563 HydrophobicContact CZ-CB 3.72Å; F493-I563 HydrophobicContact CZ-CG2 3.48Å; F493-I563 VanDerWaalsContact CZ-CG2 3.48Å; F493-I563 PolarHBondContact N-O 2.94Å; F493-I563 PolarHBondContact O-N 2.86Å; K495-I563 HydrophobicContact CB-CD1 3.76Å; K495-I563 HydrophobicContact CD-CD1 3.81Å; K495-I563 HydrophobicContact CG-CD1 4.44Å; I539-I563 HydrophobicContact CG2-CG2 4.23Å; N540-I563 WeakPolarHBondContact OD1-CA 3.45Å; M559-I563 HydrophobicContact CB-CD1 3.72Å; M559-I563 HydrophobicContact CB-CG1 4.22Å; I563-F565 HydrophobicContact CG2-CD1 3.97Å; I563-F565 HydrophobicContact CG2-CE1 3.67Å |
| 564 | T | 84.3 | Confident | 73.1 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 23% | 0.233 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.6 | -179 | -56.7 | 0 | 0 | 0 | 0 | 109.3 | L490 V491 N540 | L490-T564 HydrophobicContact CD2-CG2 4.11Å; V491-T564 CarbonylContact O-C 3.44Å; V491-T564 WeakPolarHBondContact O-CA 3.48Å; N540-T564 PolarHBondContact N-O 3.07Å; N540-T564 PolarHBondContact OD1-N 3.42Å |
| 565 | F | 89.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.7 | 170.9 | -72.1 | 6.3 | 0 | 0 | 0 | 109.9 | L490 V491 F493 M501 I503 L530 I536 E538 I539 L556 I563 I567 | L490-F565 CarbonylContact C-O 3.59Å; L490-F565 WeakPolarHBondContact CA-O 3.44Å; V491-F565 PolarHBondContact N-O 2.81Å; V491-F565 PolarHBondContact O-N 3Å; F493-F565 AromaticContact CE1-CD1 4Å; F493-F565 HydrophobicContact CE1-CD1 4Å; F493-F565 HydrophobicContact CE1-CD2 4.26Å; F493-F565 HydrophobicContact CE1-CE1 4.11Å; F493-F565 HydrophobicContact CE1-CE2 4.36Å; F493-F565 HydrophobicContact CE1-CG 4.08Å; F493-F565 HydrophobicContact CE1-CZ 4.31Å; F493-F565 HydrophobicContact CZ-CD1 4.02Å; F493-F565 AromaticContact CZ-CE1 3.68Å; F493-F565 HydrophobicContact CZ-CE1 3.68Å; F493-F565 HydrophobicContact CZ-CE2 4.29Å; F493-F565 HydrophobicContact CZ-CG 4.47Å; F493-F565 AromaticContact CZ-CZ 3.84Å; F493-F565 HydrophobicContact CZ-CZ 3.84Å; M501-F565 HydrophobicContact CE-CE1 4.49Å; M501-F565 HydrophobicContact CE-CE2 4.12Å; M501-F565 HydrophobicContact CE-CZ 3.69Å; I503-F565 HydrophobicContact CD1-CE2 4.19Å; L530-F565 HydrophobicContact CD1-CD2 3.69Å; L530-F565 HydrophobicContact CD1-CE2 3.71Å; L530-F565 HydrophobicContact CD2-CD2 4.18Å; I536-F565 HydrophobicContact CD1-CD2 3.91Å; I536-F565 HydrophobicContact CD1-CE2 3.66Å; I536-F565 HydrophobicContact CD1-CZ 4.46Å; I536-F565 HydrophobicContact CG1-CD2 4.34Å; I536-F565 HydrophobicContact CG2-CD2 4.25Å; I536-F565 HydrophobicContact CG2-CG 4.32Å; E538-F565 WeakPolarHBondContact O-CA 3.4Å; I539-F565 HydrophobicContact CB-CD1 4.27Å; I539-F565 HydrophobicContact CB-CE1 4.27Å; I539-F565 HydrophobicContact CD1-CE1 4.17Å; I539-F565 HydrophobicContact CD1-CZ 4.43Å; I539-F565 HydrophobicContact CG1-CD1 3.86Å; I539-F565 HydrophobicContact CG1-CE1 3.78Å; I539-F565 HydrophobicContact CG1-CZ 4.41Å; I539-F565 HydrophobicContact CG2-CD1 3.93Å; I539-F565 HydrophobicContact CG2-CE1 3.66Å; L556-F565 HydrophobicContact CD1-CZ 4.38Å; L556-F565 HydrophobicContact CD2-CE1 3.64Å; L556-F565 HydrophobicContact CD2-CZ 3.53Å; I563-F565 HydrophobicContact CG2-CD1 3.97Å; I563-F565 HydrophobicContact CG2-CE1 3.67Å; F565-I567 HydrophobicContact CB-CG2 3.91Å |
| 566 | K | 82.9 | Confident | 68 | Low | 67 Ų | 67 | 76.3 Ų | 76.3 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 113.4 | 165.1 | -172.5 | -177.9 | 179.7 | 178.4 | 0 | 107.3 | V488 L490 R537 E538 | V488-K566 HydrophobicContact CG1-CD 4.08Å; V488-K566 HydrophobicContact CG1-CG 3.26Å; L490-K566 HydrophobicContact CD2-CB 3.86Å; L490-K566 HydrophobicContact CD2-CG 4.05Å; R537-K566 PolarHBondContact N-O 3.43Å; E538-K566 HydrophobicContact CB-CB 3.83Å; E538-K566 HydrophobicContact CB-CD 4.23Å; E538-K566 HydrophobicContact CG-CB 4.48Å; E538-K566 HydrophobicContact CG-CD 4.01Å; E538-K566 PolarHBondContact N-O 2.98Å; E538-K566 PolarHBondContact O-N 3.23Å; E538-K566 VanDerWaalsContact OE1-CD 3.25Å; E538-K566 WeakPolarHBondContact OE1-CD 3.44Å; E538-K566 WeakPolarHBondContact OE1-CE 3.46Å; E538-K566 IonicContact OE1-NZ 2.79Å; E538-K566 PolarHBondContact OE1-NZ 3.06Å; E538-K566 WeakPolarHBondContact OE2-CD 3.38Å; E538-K566 IonicContact OE2-NZ 2.78Å |
| 567 | I | 87.3 | Confident | 65.3 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.6 | -173.8 | 67.2 | 168.2 | 0 | 0 | 0 | 112.3 | V488 R489 V491 L530 D534 E535 I536 F565 | V488-I567 CarbonylContact C-O 3.33Å; V488-I567 WeakPolarHBondContact CA-O 3.49Å; R489-I567 HydrophobicContact CB-CG1 4.01Å; R489-I567 HydrophobicContact CG-CG1 4.47Å; R489-I567 PolarHBondContact N-O 3.26Å; R489-I567 WeakPolarHBondContact O-CG1 3.45Å; R489-I567 PolarHBondContact O-N 3.09Å; V491-I567 HydrophobicContact CG2-CD1 3.71Å; V491-I567 HydrophobicContact CG2-CG1 4.08Å; L530-I567 HydrophobicContact CD2-CD1 3.94Å; L530-I567 HydrophobicContact CD2-CG2 4.08Å; D534-I567 HydrophobicContact CB-CD1 4.2Å; E535-I567 CarbonylContact O-C 3.36Å; E535-I567 WeakPolarHBondContact O-CA 3.44Å; E535-I567 WeakPolarHBondContact O-CB 3.41Å; I536-I567 HydrophobicContact CG1-CG2 4.28Å; F565-I567 HydrophobicContact CB-CG2 3.91Å |
| 568 | V | 80.6 | Confident | 62.7 | Low | 20 Ų | 20 | 79.8 Ų | 79.8 | 12% | 0.121 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.6 | 155.9 | -178.4 | 0 | 0 | 0 | 0 | 106.5 | T486 V488 E535 R537 S570 | T486-V568 HydrophobicContact CG2-CG1 3.96Å; V488-V568 HydrophobicContact CG2-CG2 4.17Å; E535-V568 HydrophobicContact CB-CB 4.24Å; E535-V568 PolarHBondContact N-O 2.92Å; E535-V568 PolarHBondContact O-N 3.18Å; R537-V568 HydrophobicContact CG-CG2 4.28Å; V568-S570 PolarHBondContact O-N 3.42Å |
| 569 | P | 73.7 | Confident | 60 | Low | 21 Ų | 21 | 83 Ų | 83 | 14% | 0.136 | 46% | 0.46 | C | S | . | . | trans | -63.6 | 135 | -178.7 | -22.4 | 34 | 0 | 0 | 0 | 112.1 | R487 R489 D534 Y571 | R487-P569 VanDerWaalsContact O-CD 3.24Å; R487-P569 WeakPolarHBondContact O-CD 3.47Å; R489-P569 HydrophobicContact CB-CG 3.9Å; D534-P569 WeakPolarHBondContact OD1-CA 3.1Å; P569-Y571 HydrophobicContact CB-CD2 4.47Å; P569-Y571 HydrophobicContact CB-CE2 4.11Å; P569-Y571 HydrophobicContact CG-CE2 4.48Å; P569-Y571 WeakPolarHBondContact O-CD2 3.27Å; P569-Y571 PolarHBondContact O-N 2.98Å | ||
| 570 | S | 66.4 | Low | 57.6 | Low | 35 Ų | 35 | 90.4 Ų | 90.4 | 25% | 0.245 | 49% | 0.491 | C | S | . | . | trans | -75.4 | 104 | 165.1 | 165.9 | 0 | 0 | 0 | 0 | 108.4 | G533 D534 V568 R572 | G533-S570 WeakPolarHBondContact O-CB 3.45Å; D534-S570 PolarHBondContact OD1-N 3.01Å; V568-S570 PolarHBondContact O-N 3.42Å; S570-R572 PolarHBondContact O-N 3.37Å | ||
| 571 | Y | 50.1 | Low | 54.9 | Low | 179 Ų | 179 | 94.7 Ų | 94.7 | 70% | 0.702 | 52% | 0.516 | S | S | * | . | trans | -73.5 | 67.6 | 174.9 | -70.4 | -82.5 | 0 | 0 | 0 | 111.2 | P569 | P569-Y571 HydrophobicContact CB-CD2 4.47Å; P569-Y571 HydrophobicContact CB-CE2 4.11Å; P569-Y571 HydrophobicContact CG-CE2 4.48Å; P569-Y571 WeakPolarHBondContact O-CD2 3.27Å; P569-Y571 PolarHBondContact O-N 2.98Å | ||
| 572 | R | 39.7 | Very low | 52.1 | Low | 219 Ų | 219 | 98.4 Ų | 98.4 | 83% | 0.826 | 54% | 0.538 | S | S | * | . | trans | -122.5 | 106.5 | 163.3 | -72.3 | -171.8 | 175.8 | -165.4 | 0.1 | 108.3 | S570 Q574 | S570-R572 PolarHBondContact O-N 3.37Å; R572-Q574 PolarHBondContact O-N 2.84Å | ||
| 573 | T | 32.6 | Very low | 49.6 | Very low | 145 Ų | 145 | 102.6 Ų | 102.6 | 89% | 0.89 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 120.2 | -165.7 | -31.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 574 | Q | 31.1 | Very low | 46.6 | Very low | 166 Ų | 166 | 107.8 Ų | 107.8 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 148.1 | 155.4 | -80.7 | -165.6 | -20.3 | 0 | 0 | 110.4 | R572 | R572-Q574 PolarHBondContact O-N 2.84Š|
| 575 | G | 30.3 | Very low | 43.7 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 86% | 0.856 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -74 | 143.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 576 | S | 26.6 | Very low | 40.6 | Very low | 128 Ų | 128 | 117.8 Ų | 117.8 | 90% | 0.895 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 149.4 | 179.6 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 577 | S | 25 | Very low | 37.9 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 148.2 | -175.8 | 54.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 578 | C | 25.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 86% | 0.858 | 73% | 0.732 | S | S | * | * | trans | 67.5 | 151.9 | 169.7 | -73.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 579 | E | 23.9 | Very low | 32.3 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | cis | -120.4 | 173.9 | 16.9 | -65 | -177.2 | 133.8 | 0 | 0 | 114.4 | ||||
| 580 | K | 29.3 | Very low | 30.2 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -127.8 | 113.2 | 176.7 | -74.9 | -176.9 | 176.1 | 179.2 | 0 | 111.3 | ||||
| 581 | E | 23.8 | Very low | 28.3 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -90 | 148.2 | 150.5 | -68.6 | -161.2 | 139.9 | 0 | 0 | 110 | ||||
| 582 | S | 24.8 | Very low | 27.1 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | -140 | 141.4 | 178.6 | -55 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 583 | P | 28.1 | Very low | 26.4 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | trans | -113.4 | 151 | 136.3 | -6.2 | 25.7 | 0 | 0 | 0 | 112.3 | ||||
| 584 | S | 22.6 | Very low | 26.1 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | trans | -91.2 | 148 | -177.1 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 585 | T | 24.3 | Very low | 25.8 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | -154.7 | 169.9 | 129.9 | 28.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 586 | S | 23.6 | Very low | 25.5 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | trans | -126.5 | 139.9 | -149.3 | 54.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 587 | R | 26.2 | Very low | 25.5 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 83% | 0.827 | S | S | * | * | trans | 63 | 155.3 | 153.5 | -62.3 | 175.9 | 176.6 | 177.4 | -2.4 | 114.4 | ||||
| 588 | Q | 24.6 | Very low | 25.4 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | cis | -161 | 144.2 | 26.1 | -149.6 | 157.3 | -3.5 | 0 | 0 | 109.7 | ||||
| 589 | S | 25.6 | Very low | 25.4 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -97.6 | 157.6 | 168.6 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 590 | P | 30.4 | Very low | 25.4 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -132.5 | 161.9 | 133.9 | 36.3 | -25.8 | 0 | 0 | 0 | 113.3 | ||||
| 591 | A | 26 | Very low | 25.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -92.9 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 592 | N | 26.4 | Very low | 25.3 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -54.9 | 148.5 | -174.7 | -63.9 | -29 | 0 | 0 | 0 | 115.4 | ||||
| 593 | G | 23.8 | Very low | 25.3 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -161.6 | 139.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 594 | H | 26.4 | Very low | 25 | Very low | 190 Ų | 190 | 137 Ų | 137 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -67.7 | 161.8 | -171.2 | -83.9 | -116.6 | 0 | 0 | 0 | 115.2 | ||||
| 595 | S | 24.9 | Very low | 25.6 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -36 | 132.4 | 170.7 | 51.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 596 | S | 24.4 | Very low | 25.5 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -157.4 | 158.8 | 154.7 | -78.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 597 | I | 25.8 | Very low | 25.5 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -110.2 | 140.1 | -156.8 | -70.9 | 170.5 | 0 | 0 | 0 | 113.3 | ||||
| 598 | N | 24 | Very low | 25.5 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 75.5 | 140.1 | 156 | -74.2 | -11.5 | 0 | 0 | 0 | 124.8 | ||||
| 599 | S | 23.8 | Very low | 25.3 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 94.9 | 96.5 | 142.2 | 68.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 600 | S | 24.8 | Very low | 26.2 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | 62.4 | 126.8 | 113.3 | -53.5 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 601 | I | 25.3 | Very low | 26 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 97.1 | 110.4 | 133.6 | -75.5 | 168.6 | 0 | 0 | 0 | 121.3 | ||||
| 602 | L | 26.2 | Very low | 26 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 63.6 | 129.9 | 135.9 | -62.6 | 177.5 | 0 | 0 | 0 | 125.7 | ||||
| 603 | D | 25.1 | Very low | 26 | Very low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 91.8 | 144 | 132.8 | -67 | -23.9 | 0 | 0 | 0 | 125.8 | ||||
| 604 | L | 20.5 | Very low | 26 | Very low | 158 Ų | 158 | 145 Ų | 145 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -87.3 | -168.4 | -173.3 | -82.3 | 144.2 | 0 | 0 | 0 | 112.7 | ||||
| 605 | P | 35.2 | Very low | 25.9 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | cis | -136.1 | 171.8 | -16.9 | 17.1 | 8.6 | 0 | 0 | 0 | 116.6 | ||||
| 606 | S | 22.8 | Very low | 25.9 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | 49.1 | 138.7 | 140.3 | -53.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 607 | T | 23.2 | Very low | 25.9 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 178.2 | 165.9 | 74.3 | 36 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 608 | M | 25.4 | Very low | 25.8 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 88.5 | 117.1 | 153.5 | -57 | -124.5 | 75.9 | 0 | 0 | 122.5 | ||||
| 609 | Q | 20.9 | Very low | 25.9 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -117.3 | -168.9 | 154.8 | -78.7 | -163 | -8.1 | 0 | 0 | 108.2 | ||||
| 610 | P | 44.9 | Very low | 26.2 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | -136.1 | 168.4 | -62.4 | 39.4 | -24.3 | 0 | 0 | 0 | 114 | |||||
| 611 | K | 26 | Very low | 26.3 | Very low | 218 Ų | 218 | 146 Ų | 146 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | -154.4 | 149.8 | 152.2 | -64.8 | -172.2 | -178 | 173.8 | 0 | 108.1 | ||||
| 612 | G | 25.6 | Very low | 26.6 | Very low | 74 Ų | 74 | 148.8 Ų | 148.8 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | cis | 172 | 117.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 613 | R | 26.2 | Very low | 26.7 | Very low | 244 Ų | 244 | 149.2 Ų | 149.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | 25.1 | 133.2 | 163.4 | -75.4 | 179 | 170.1 | 165.6 | -3.1 | 121.8 | ||||
| 614 | Q | 25.7 | Very low | 27.2 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | -149.1 | 152.5 | 117 | -110.2 | 178.3 | 16.5 | 0 | 0 | 111.5 | |||||
| 615 | M | 24.3 | Very low | 27.8 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 95% | 0.946 | 81% | 0.812 | S | S | * | * | trans | -102.8 | 144.6 | -178.2 | -81.2 | -162.5 | -76.8 | 0 | 0 | 111.8 | ||||
| 616 | G | 24.4 | Very low | 28.1 | Very low | 67 Ų | 67 | 150.2 Ų | 150.2 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -169.4 | 105.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 617 | S | 24.1 | Very low | 29.9 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | 62.5 | 136.3 | 171.1 | 72.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 618 | R | 24.2 | Very low | 32.8 | Very low | 224 Ų | 224 | 152.4 Ų | 152.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -120.6 | 113.3 | -176.9 | -171.4 | -174 | -165.9 | -175.2 | 5.4 | 109 | ||||
| 619 | P | 26.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74 | 159.8 | 166 | 30.2 | -30.5 | 0 | 0 | 0 | 110.2 | ||
| 620 | P | 28.7 | Very low | 39.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66 | 151.1 | -170.8 | 26.1 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 621 | T | 27.2 | Very low | 41.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129.8 | -178.9 | 42.8 | 0 | 0 | 0 | 0 | 112 | D623 | T621-D623 PolarHBondContact O-N 2.84Š|
| 622 | K | 31.2 | Very low | 45.1 | Very low | 209 Ų | 209 | 127.6 Ų | 127.6 | 91% | 0.909 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 128.4 | 167.9 | -74.9 | -176.7 | 174.5 | -178.9 | 0 | 110.1 | ||
| 623 | D | 29.8 | Very low | 48.3 | Very low | 148 Ų | 148 | 124 Ų | 124 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -58 | 150.7 | 170.6 | -76.5 | -52 | 0 | 0 | 0 | 112.3 | T621 T625 | T621-D623 PolarHBondContact O-N 2.84Å; D623-T625 PolarHBondContact O-N 2.85Å |
| 624 | K | 34.1 | Very low | 51.4 | Low | 204 Ų | 204 | 113.1 Ų | 113.1 | 89% | 0.887 | 60% | 0.599 | S | S | * | * | trans | -66 | 101.2 | 166.8 | -75.8 | 174.1 | 177.2 | 168.4 | 0 | 108.3 | S626 | K624-S626 PolarHBondContact O-N 2.67Å; K624-S626 VanDerWaalsContact O-N 3.13Å | ||
| 625 | T | 34 | Very low | 54.4 | Low | 130 Ų | 130 | 104.4 Ų | 104.4 | 80% | 0.798 | 56% | 0.558 | S | S | * | * | trans | -61.3 | 114.3 | 177.2 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | D623 | D623-T625 PolarHBondContact O-N 2.85Š| ||
| 626 | S | 42.1 | Very low | 57.6 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | trans | -52.7 | 138.5 | 155.5 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | K624 K628 | K624-S626 PolarHBondContact O-N 2.67Å; K624-S626 VanDerWaalsContact O-N 3.13Å; S626-K628 PolarHBondContact O-N 2.97Å; S626-K628 VanDerWaalsContact O-N 3.07Å | ||
| 627 | I | 60.8 | Low | 60.8 | Low | 166 Ų | 166 | 99 Ų | 99 | 85% | 0.851 | 51% | 0.512 | S | S | * | . | trans | -66.5 | 111.9 | 173.3 | -60 | 175.2 | 0 | 0 | 0 | 106.7 | ||||
| 628 | K | 83.5 | Confident | 64.1 | Low | 110 Ų | 110 | 94.1 Ų | 94.1 | 48% | 0.478 | 48% | 0.476 | S | S | . | . | trans | -91 | 116.9 | 177.4 | -66.7 | -175.8 | 178.8 | -173 | 0 | 108.6 | S626 Y630 | S626-K628 PolarHBondContact O-N 2.97Å; S626-K628 VanDerWaalsContact O-N 3.07Å; K628-Y630 HydrophobicContact CB-CD2 4.26Å; K628-Y630 HydrophobicContact CB-CE2 3.55Å; K628-Y630 HydrophobicContact CD-CE2 4.33Å; K628-Y630 VanDerWaalsContact CD-OH 3.3Å; K628-Y630 WeakPolarHBondContact CD-OH 3.25Å; K628-Y630 WeakPolarHBondContact O-CD2 3.37Å | ||
| 629 | I | 90.8 | Very high | 67.3 | Low | 54 Ų | 54 | 83.9 Ų | 83.9 | 28% | 0.277 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 131.8 | 172.2 | -61 | 170.5 | 0 | 0 | 0 | 108 | V631 Q661 I662 E744 | I629-V631 HydrophobicContact CG2-CG1 4.43Å; I629-Q661 WeakPolarHBondContact O-CA 3.35Å; I629-I662 HydrophobicContact CB-CB 4.18Å; I629-I662 HydrophobicContact CG2-CB 4.12Å; I629-I662 HydrophobicContact CG2-CG1 4.02Å; I629-I662 PolarHBondContact O-N 3.29Å; I629-E744 HydrophobicContact CG2-CG 4.27Å |
| 630 | Y | 94.8 | Very high | 70.3 | Confident | 51 Ų | 51 | 82.2 Ų | 82.2 | 20% | 0.2 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.7 | 171.3 | -62 | -93.4 | 0 | 0 | 0 | 109.2 | K628 I659 I660 Q661 E744 V745 W942 | K628-Y630 HydrophobicContact CB-CD2 4.26Å; K628-Y630 HydrophobicContact CB-CE2 3.55Å; K628-Y630 HydrophobicContact CD-CE2 4.33Å; K628-Y630 VanDerWaalsContact CD-OH 3.3Å; K628-Y630 WeakPolarHBondContact CD-OH 3.25Å; K628-Y630 WeakPolarHBondContact O-CD2 3.37Å; Y630-I659 HydrophobicContact CD1-CG2 4.33Å; Y630-I660 WeakPolarHBondContact CA-O 3.43Å; Y630-Q661 HydrophobicContact CD1-CB 3.69Å; Y630-Q661 HydrophobicContact CD1-CG 3.94Å; Y630-Q661 HydrophobicContact CE1-CB 3.61Å; Y630-Q661 HydrophobicContact CE1-CG 3.63Å; Y630-E744 WeakPolarHBondContact O-CG 3.36Å; Y630-V745 PolarHBondContact O-N 3.37Å; Y630-W942 AromaticContact CD1-CH2 3.55Å; Y630-W942 HydrophobicContact CD1-CH2 3.55Å; Y630-W942 HydrophobicContact CD1-CZ2 4.3Å; Y630-W942 HydrophobicContact CD1-CZ3 4.19Å; Y630-W942 AromaticContact CD2-CH2 3.72Å; Y630-W942 HydrophobicContact CD2-CH2 3.72Å; Y630-W942 AromaticContact CD2-CZ3 3.86Å; Y630-W942 HydrophobicContact CD2-CZ3 3.86Å; Y630-W942 AromaticContact CE1-CH2 3.91Å; Y630-W942 HydrophobicContact CE1-CH2 3.91Å; Y630-W942 HydrophobicContact CE2-CH2 4.04Å; Y630-W942 AromaticContact CG-CH2 3.45Å; Y630-W942 HydrophobicContact CG-CH2 3.45Å; Y630-W942 VanDerWaalsContact CG-CH2 3.45Å; Y630-W942 AromaticContact CG-CZ3 3.65Å; Y630-W942 HydrophobicContact CG-CZ3 3.65Å |
| 631 | V | 94.9 | Very high | 73.1 | Confident | 7 Ų | 7 | 83.7 Ų | 83.7 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.5 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | I629 I659 I660 I662 Y742 E743 E744 | I629-V631 HydrophobicContact CG2-CG1 4.43Å; V631-I659 WeakPolarHBondContact O-CA 3.4Å; V631-I660 HydrophobicContact CG2-CB 4.04Å; V631-I660 PolarHBondContact N-O 3.07Å; V631-I660 PolarHBondContact O-N 2.62Å; V631-I662 HydrophobicContact CG1-CD1 4.44Å; V631-I662 HydrophobicContact CG1-CG1 4.03Å; V631-I662 HydrophobicContact CG2-CD1 3.77Å; V631-I662 HydrophobicContact CG2-CG1 4.17Å; V631-Y742 HydrophobicContact CB-CD1 4.43Å; V631-Y742 HydrophobicContact CG2-CD1 3.73Å; V631-Y742 HydrophobicContact CG2-CE1 4.43Å; V631-Y742 HydrophobicContact CG2-CG 4.17Å; V631-E743 CarbonylContact C-O 3.58Å; V631-E743 VanDerWaalsContact CA-O 3.26Å; V631-E743 WeakPolarHBondContact CA-O 3.33Å; V631-E744 HydrophobicContact CG1-CG 4.49Å |
| 632 | R | 93.8 | Very high | 75.8 | Confident | 37 Ų | 37 | 79 Ų | 79 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.2 | 165.3 | 173.7 | -176.1 | -72.4 | 136.1 | -5.7 | 108.1 | Q634 D658 I659 Y742 E743 V745 W942 | R632-Q634 PolarHBondContact O-N 3.12Å; R632-D658 WeakPolarHBondContact CA-O 3.13Å; R632-I659 HydrophobicContact CB-CD1 3.93Å; R632-I659 HydrophobicContact CG-CD1 4.29Å; R632-Y742 WeakPolarHBondContact O-CA 3.25Å; R632-E743 HydrophobicContact CB-CB 4.4Å; R632-E743 IonicContact CZ-OE2 2.7Å; R632-E743 PolarHBondContact N-O 3.35Å; R632-E743 IonicContact NH1-OE2 3.8Å; R632-E743 PolarHBondContact NH1-OE2 3.24Å; R632-E743 PolarHBondContact O-N 3.02Å; R632-V745 HydrophobicContact CB-CG1 3.89Å; R632-V745 HydrophobicContact CB-CG2 4.32Å; R632-W942 PolarHBondContact NH2-O 3.17Å |
| 633 | A | 93.6 | Very high | 78.3 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 126.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F654 G657 D658 I660 Y742 | A633-F654 HydrophobicContact CB-CD2 3.39Å; A633-F654 HydrophobicContact CB-CE2 3.6Å; A633-F654 HydrophobicContact CB-CG 4.29Å; A633-G657 PolarHBondContact O-N 2.97Å; A633-D658 PolarHBondContact N-O 3.5Å; A633-I660 HydrophobicContact CB-CD1 4.18Å; A633-Y742 HydrophobicContact CB-CD1 4.49Å; A633-Y742 HydrophobicContact CB-CE1 4.41Å |
| 634 | Q | 90.5 | Very high | 80.9 | Confident | 15 Ų | 15 | 73 Ų | 73 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | trans | -97.9 | -5.8 | 177.2 | -59.9 | -74.4 | -31.8 | 0 | 0 | 111.9 | R632 V740 T741 E743 H911 | R632-Q634 PolarHBondContact O-N 3.12Å; Q634-V740 VanDerWaalsContact C-CG1 3.48Å; Q634-V740 HydrophobicContact CB-CG1 3.29Å; Q634-V740 WeakPolarHBondContact O-CG1 3.34Å; Q634-T741 WeakPolarHBondContact CB-O 3.05Å; Q634-T741 PolarHBondContact N-O 2.87Å; Q634-E743 HydrophobicContact CG-CB 4.09Å; Q634-E743 VanDerWaalsContact NE2-CB 3.26Å; Q634-E743 PolarHBondContact NE2-OE2 3.29Å; Q634-E743 VanDerWaalsContact NE2-OE2 3.14Å; Q634-H911 HydrophobicContact CB-CB 4.26Å; Q634-H911 WeakPolarHBondContact O-CB 3.38Å; Q634-H911 PolarHBondContact OE1-O 3.43Å | ||
| 635 | F | 90.4 | Very high | 83.3 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -130.6 | 166.4 | 176.7 | 64.3 | -78.2 | 0 | 0 | 0 | 111.2 | F654 P687 Q692 V740 T741 Y742 | F635-F654 HydrophobicContact CD2-CE2 4.18Å; F635-F654 HydrophobicContact CD2-CZ 4.49Å; F635-F654 HydrophobicContact CE1-CE2 4.25Å; F635-F654 HydrophobicContact CE1-CZ 4.29Å; F635-F654 AromaticContact CE2-CE2 3.85Å; F635-F654 HydrophobicContact CE2-CE2 3.85Å; F635-F654 AromaticContact CE2-CZ 3.72Å; F635-F654 HydrophobicContact CE2-CZ 3.72Å; F635-F654 AromaticContact CZ-CE2 3.89Å; F635-F654 HydrophobicContact CZ-CE2 3.89Å; F635-F654 AromaticContact CZ-CZ 3.6Å; F635-F654 HydrophobicContact CZ-CZ 3.6Å; F635-F654 WeakPolarHBondContact O-CE2 3.44Å; F635-P687 HydrophobicContact CE2-CG 4.11Å; F635-P687 HydrophobicContact CZ-CG 3.92Å; F635-Q692 HydrophobicContact CD1-CG 3.95Å; F635-Q692 HydrophobicContact CD2-CG 4.28Å; F635-Q692 VanDerWaalsContact CD2-NE2 3.26Å; F635-Q692 HydrophobicContact CE1-CB 4.35Å; F635-Q692 HydrophobicContact CE1-CG 3.65Å; F635-Q692 HydrophobicContact CE2-CG 3.96Å; F635-Q692 HydrophobicContact CG-CG 4.28Å; F635-Q692 HydrophobicContact CZ-CB 4.1Å; F635-Q692 HydrophobicContact CZ-CG 3.63Å; F635-V740 WeakPolarHBondContact CD1-O 3.19Å; F635-T741 WeakPolarHBondContact CD1-O 3.49Å; F635-T741 VanDerWaalsContact CE1-O 3.24Å; F635-T741 WeakPolarHBondContact CE1-O 3.43Å; F635-Y742 HydrophobicContact CE1-CD1 4.38Å; F635-Y742 HydrophobicContact CE1-CD2 4.32Å; F635-Y742 AromaticContact CE1-CE1 3.94Å; F635-Y742 HydrophobicContact CE1-CE1 3.94Å; F635-Y742 AromaticContact CE1-CE2 3.89Å; F635-Y742 HydrophobicContact CE1-CE2 3.89Å; F635-Y742 AromaticContact CE1-CZ 3.7Å; F635-Y742 HydrophobicContact CZ-CE1 4.22Å; F635-Y742 HydrophobicContact CZ-CE2 4.06Å; F635-Y742 AromaticContact CZ-CZ 3.68Å; F635-Y742 WeakPolarHBondContact CZ-OH 3.36Å |
| 636 | E | 90.6 | Very high | 85.5 | Confident | 135 Ų | 135 | 61.6 Ų | 61.6 | 63% | 0.631 | 31% | 0.314 | S | S | * | . | trans | -89 | 138.5 | 170.6 | -58 | -159.8 | 143.7 | 0 | 0 | 111.4 | V656 | E636-V656 HydrophobicContact CG-CG2 3.91Š| ||
| 637 | Y | 92.5 | Very high | 87.4 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 129 | 177.5 | -177.7 | -123.7 | 0 | 0 | 0 | 112.6 | P639 D642 I652 R653 F654 W670 P687 | Y637-P639 HydrophobicContact CE1-CB 3.95Å; Y637-P639 HydrophobicContact CE1-CG 4.38Å; Y637-D642 HydrophobicContact CE2-CB 4.1Å; Y637-D642 WeakPolarHBondContact CE2-OD2 3.47Å; Y637-D642 PolarHBondContact OH-OD2 2.88Å; Y637-I652 VanDerWaalsContact CD1-O 3.22Å; Y637-I652 WeakPolarHBondContact CD1-O 3.39Å; Y637-R653 WeakPolarHBondContact O-CA 3.34Å; Y637-R653 WeakPolarHBondContact O-CG 3.33Å; Y637-F654 VanDerWaalsContact CB-CE1 3.5Å; Y637-F654 VanDerWaalsContact CB-CE2 3.47Å; Y637-F654 HydrophobicContact CD1-CD1 4.03Å; Y637-F654 AromaticContact CD1-CE1 3.5Å; Y637-F654 HydrophobicContact CD1-CE1 3.5Å; Y637-F654 VanDerWaalsContact CD1-CE1 3.5Å; Y637-F654 HydrophobicContact CD1-CZ 4.03Å; Y637-F654 HydrophobicContact CG-CD1 4.48Å; Y637-F654 AromaticContact CG-CE1 3.86Å; Y637-F654 HydrophobicContact CG-CE1 3.86Å; Y637-F654 AromaticContact CG-CZ 3.91Å; Y637-F654 HydrophobicContact CG-CZ 3.91Å; Y637-F654 PolarHBondContact N-O 2.66Å; Y637-F654 PolarHBondContact O-N 3.31Å; Y637-F654 VanDerWaalsContact O-N 3.11Å; Y637-W670 WeakPolarHBondContact OH-CH2 3.4Å; Y637-W670 WeakPolarHBondContact OH-CZ3 3.41Å; Y637-P687 HydrophobicContact CD1-CG 4.44Å; Y637-P687 HydrophobicContact CD2-CG 4.29Å; Y637-P687 HydrophobicContact CE2-CG 4.45Å; Y637-P687 HydrophobicContact CG-CG 4.33Å |
| 638 | D | 91.9 | Very high | 88.5 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -126.6 | 95.3 | -179.7 | -169.8 | -11.5 | 0 | 0 | 0 | 110.2 | S640 K641 R653 | D638-S640 PolarHBondContact O-N 3.03Å; D638-S640 WeakPolarHBondContact OD1-CB 3.29Å; D638-S640 PolarHBondContact OD1-N 3.49Å; D638-S640 PolarHBondContact OD1-OG 3.49Å; D638-K641 HydrophobicContact CB-CD 4.16Å; D638-K641 HydrophobicContact CB-CG 4.32Å; D638-K641 PolarHBondContact O-N 2.88Å; D638-K641 WeakPolarHBondContact OD2-CE 3.33Å; D638-K641 IonicContact OD2-NZ 2.85Å; D638-R653 VanDerWaalsContact CG-CZ 3.44Å; D638-R653 IonicContact OD1-CZ 2.7Å; D638-R653 IonicContact OD1-NH1 3.27Å; D638-R653 PolarHBondContact OD1-NH1 3.39Å; D638-R653 IonicContact OD2-CZ 3.98Å; D638-R653 IonicContact OD2-NH1 2.75Å; D638-R653 PolarHBondContact OD2-NH1 3.07Å; D638-R653 IonicContact OD2-NH2 3.72Å; D638-R653 PolarHBondContact OD2-NH2 2.69Å | ||
| 639 | P | 91.2 | Very high | 88.5 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -63.7 | -15.4 | -176.2 | 26.2 | -35.5 | 0 | 0 | 0 | 113.6 | Y637 K641 I645 R653 | Y637-P639 HydrophobicContact CE1-CB 3.95Å; Y637-P639 HydrophobicContact CE1-CG 4.38Å; P639-K641 VanDerWaalsContact C-N 3.28Å; P639-K641 PolarHBondContact O-N 3.01Å; P639-I645 HydrophobicContact CB-CD1 3.86Å; P639-R653 HydrophobicContact CG-CB 4.42Å |
| 640 | S | 89.8 | Confident | 88.2 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -71.1 | -24.8 | 175 | 70 | 0 | 0 | 0 | 0 | 113.3 | D638 | D638-S640 PolarHBondContact O-N 3.03Å; D638-S640 WeakPolarHBondContact OD1-CB 3.29Å; D638-S640 PolarHBondContact OD1-N 3.49Å; D638-S640 PolarHBondContact OD1-OG 3.49Å |
| 641 | K | 87.4 | Confident | 88 | Confident | 159 Ų | 159 | 51.7 Ų | 51.7 | 69% | 0.691 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -99.6 | 3.9 | -178.4 | -59.3 | -179.8 | -178.1 | 174.4 | 0 | 113.3 | D638 P639 | D638-K641 HydrophobicContact CB-CD 4.16Å; D638-K641 HydrophobicContact CB-CG 4.32Å; D638-K641 PolarHBondContact O-N 2.88Å; D638-K641 WeakPolarHBondContact OD2-CE 3.33Å; D638-K641 IonicContact OD2-NZ 2.85Å; P639-K641 VanDerWaalsContact C-N 3.28Å; P639-K641 PolarHBondContact O-N 3.01Å |
| 642 | D | 84.8 | Confident | 87.8 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | trans | -104.3 | 110.7 | -171.9 | -167.9 | -20.3 | 0 | 0 | 0 | 110.1 | Y637 L644 I645 K648 W670 R695 | Y637-D642 HydrophobicContact CE2-CB 4.1Å; Y637-D642 WeakPolarHBondContact CE2-OD2 3.47Å; Y637-D642 PolarHBondContact OH-OD2 2.88Å; D642-L644 VanDerWaalsContact C-N 3.26Å; D642-L644 PolarHBondContact O-N 3.45Å; D642-L644 WeakPolarHBondContact OD1-CA 3.35Å; D642-L644 WeakPolarHBondContact OD1-CB 3.3Å; D642-L644 PolarHBondContact OD1-N 2.84Å; D642-I645 HydrophobicContact CB-CB 4.46Å; D642-I645 HydrophobicContact CB-CG2 4.26Å; D642-I645 WeakPolarHBondContact O-CG2 3.42Å; D642-K648 WeakPolarHBondContact O-CE 3.43Å; D642-W670 WeakPolarHBondContact OD2-CH2 3.44Å; D642-R695 VanDerWaalsContact CG-NH2 3.3Å; D642-R695 IonicContact OD1-CZ 3.35Å; D642-R695 IonicContact OD1-NH2 2.59Å; D642-R695 PolarHBondContact OD1-NH2 3.4Å; D642-R695 VanDerWaalsContact OD1-NH2 3.13Å; D642-R695 IonicContact OD2-CZ 3.57Å; D642-R695 IonicContact OD2-NH1 2.75Å; D642-R695 PolarHBondContact OD2-NH1 3.4Å; D642-R695 IonicContact OD2-NH2 3.41Å; D642-R695 PolarHBondContact OD2-NH2 3.4Å | ||
| 643 | E | 82.9 | Confident | 87.8 | Confident | 145 Ų | 145 | 57.3 Ų | 57.3 | 68% | 0.678 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.6 | 178.2 | -55.6 | -49.7 | 138.6 | 0 | 0 | 113.4 | K648 | E643-K648 IonicContact OE1-NZ 2.67Å; E643-K648 PolarHBondContact OE1-NZ 2.97Å; E643-K648 IonicContact OE2-NZ 3.78Å; E643-K648 PolarHBondContact OE2-NZ 3.48Å |
| 644 | L | 83.6 | Confident | 87.8 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -9.6 | 178.7 | -57.6 | 173.1 | 0 | 0 | 0 | 113 | D642 P646 W670 W694 | D642-L644 VanDerWaalsContact C-N 3.26Å; D642-L644 PolarHBondContact O-N 3.45Å; D642-L644 WeakPolarHBondContact OD1-CA 3.35Å; D642-L644 WeakPolarHBondContact OD1-CB 3.3Å; D642-L644 PolarHBondContact OD1-N 2.84Å; L644-P646 WeakPolarHBondContact O-CD 3.29Å; L644-W670 HydrophobicContact CB-CZ2 4.32Å; L644-W670 WeakPolarHBondContact O-CZ2 3.45Å; L644-W670 PolarHBondContact O-NE1 3.49Å; L644-W694 HydrophobicContact CD1-CE3 4.39Å; L644-W694 HydrophobicContact CD1-CH2 4.11Å; L644-W694 HydrophobicContact CD1-CZ3 3.52Å |
| 645 | I | 85.5 | Confident | 87.8 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | trans | -73.3 | 127 | 179.2 | -167 | 176.7 | 0 | 0 | 0 | 110.9 | P639 D642 C647 K648 G651 W670 L685 | P639-I645 HydrophobicContact CB-CD1 3.86Å; D642-I645 HydrophobicContact CB-CB 4.46Å; D642-I645 HydrophobicContact CB-CG2 4.26Å; D642-I645 WeakPolarHBondContact O-CG2 3.42Å; I645-C647 WeakPolarHBondContact CD1-O 3.44Å; I645-C647 PolarHBondContact O-N 2.69Å; I645-C647 VanDerWaalsContact O-N 3.08Å; I645-K648 HydrophobicContact CG2-CB 4.23Å; I645-K648 HydrophobicContact CG2-CG 3.48Å; I645-K648 VanDerWaalsContact CG2-CG 3.48Å; I645-G651 VanDerWaalsContact CD1-CA 3.44Å; I645-W670 HydrophobicContact CB-CH2 3.53Å; I645-W670 HydrophobicContact CB-CZ2 3.84Å; I645-W670 HydrophobicContact CB-CZ3 4.08Å; I645-W670 HydrophobicContact CD1-CH2 4.36Å; I645-W670 HydrophobicContact CD1-CZ3 4.05Å; I645-W670 HydrophobicContact CG1-CE3 4.16Å; I645-W670 HydrophobicContact CG1-CH2 3.73Å; I645-W670 HydrophobicContact CG1-CZ2 4.18Å; I645-W670 HydrophobicContact CG1-CZ3 3.74Å; I645-L685 HydrophobicContact CD1-CB 4.28Å; I645-L685 HydrophobicContact CG1-CD1 4.39Å | ||
| 646 | P | 79.3 | Confident | 87.8 | Confident | 81 Ų | 81 | 66 Ų | 66 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -63 | -18.4 | -178.2 | -25.9 | 34.5 | 0 | 0 | 0 | 115.1 | L644 W670 | L644-P646 WeakPolarHBondContact O-CD 3.29Å; P646-W670 HydrophobicContact CG-CG 4.31Å |
| 647 | C | 82.4 | Confident | 87.7 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | trans | -158.7 | 109 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | T504 I645 E649 A650 | T504-C647 HydrophobicContact CG2-CB 4.21Å; I645-C647 WeakPolarHBondContact CD1-O 3.44Å; I645-C647 PolarHBondContact O-N 2.69Å; I645-C647 VanDerWaalsContact O-N 3.08Å; C647-E649 VanDerWaalsContact C-N 3.26Å; C647-E649 PolarHBondContact O-N 3.49Å; C647-A650 HydrophobicContact CB-CB 3.93Å; C647-A650 PolarHBondContact O-N 2.66Å; C647-A650 VanDerWaalsContact O-N 3.14Å | ||
| 648 | K | 84.6 | Confident | 87.7 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 34% | 0.335 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62.5 | -34.7 | -175.8 | -68.8 | -174.8 | 179.6 | -174.4 | 0 | 111.5 | D642 E643 I645 A650 G651 | D642-K648 WeakPolarHBondContact O-CE 3.43Å; E643-K648 IonicContact OE1-NZ 2.67Å; E643-K648 PolarHBondContact OE1-NZ 2.97Å; E643-K648 IonicContact OE2-NZ 3.78Å; E643-K648 PolarHBondContact OE2-NZ 3.48Å; I645-K648 HydrophobicContact CG2-CB 4.23Å; I645-K648 HydrophobicContact CG2-CG 3.48Å; I645-K648 VanDerWaalsContact CG2-CG 3.48Å; K648-A650 VanDerWaalsContact C-N 3.31Å; K648-A650 PolarHBondContact O-N 3.21Å; K648-G651 PolarHBondContact O-N 3.09Å |
| 649 | E | 82.9 | Confident | 87.8 | Confident | 120 Ų | 120 | 63.2 Ų | 63.2 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -75 | -16.9 | 178.7 | -48.2 | 100.1 | 111.5 | 0 | 0 | 114.2 | Q553 R557 C647 | Q553-E649 PolarHBondContact NE2-OE1 3.4Å; R557-E649 IonicContact NH2-OE1 3.92Å; C647-E649 VanDerWaalsContact C-N 3.26Å; C647-E649 PolarHBondContact O-N 3.49Å |
| 650 | A | 85.3 | Confident | 88 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -86.3 | -11.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C647 K648 G684 L685 | C647-A650 HydrophobicContact CB-CB 3.93Å; C647-A650 PolarHBondContact O-N 2.66Å; C647-A650 VanDerWaalsContact O-N 3.14Å; K648-A650 VanDerWaalsContact C-N 3.31Å; K648-A650 PolarHBondContact O-N 3.21Å; A650-G684 CarbonylContact O-C 3.56Å; A650-G684 VanDerWaalsContact O-CA 3.23Å; A650-G684 WeakPolarHBondContact O-CA 3.29Å; A650-L685 HydrophobicContact CB-CD1 4.08Å; A650-L685 HydrophobicContact CB-CG 4.12Å; A650-L685 PolarHBondContact O-N 3.33Å |
| 651 | G | 89.4 | Confident | 88.1 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 19% | 0.186 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 141.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I645 K648 L685 | I645-G651 VanDerWaalsContact CD1-CA 3.44Å; K648-G651 PolarHBondContact O-N 3.09Å; G651-L685 WeakPolarHBondContact CA-O 3.43Å |
| 652 | I | 91.7 | Very high | 88.4 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 116.9 | 172.3 | -61.5 | 179.8 | 0 | 0 | 0 | 109 | Y637 F654 G673 L675 L685 I686 | Y637-I652 VanDerWaalsContact CD1-O 3.22Å; Y637-I652 WeakPolarHBondContact CD1-O 3.39Å; I652-F654 HydrophobicContact CG2-CD1 4.48Å; I652-F654 WeakPolarHBondContact O-CD1 3.19Å; I652-G673 WeakPolarHBondContact CD1-O 3.19Å; I652-L675 HydrophobicContact CG2-CD1 3.65Å; I652-L675 HydrophobicContact CG2-CG 3.83Å; I652-L685 PolarHBondContact N-O 3.13Å; I652-I686 HydrophobicContact CB-CG2 3.94Å; I652-I686 HydrophobicContact CD1-CG2 4.4Å |
| 653 | R | 93.3 | Very high | 88.7 | Confident | 137 Ų | 137 | 56.6 Ų | 56.6 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 132.2 | 166.4 | -170.9 | -170.2 | -171.8 | 98.5 | 18.7 | 109.5 | Y637 D638 P639 | Y637-R653 WeakPolarHBondContact O-CA 3.34Å; Y637-R653 WeakPolarHBondContact O-CG 3.33Å; D638-R653 VanDerWaalsContact CG-CZ 3.44Å; D638-R653 IonicContact OD1-CZ 2.7Å; D638-R653 IonicContact OD1-NH1 3.27Å; D638-R653 PolarHBondContact OD1-NH1 3.39Å; D638-R653 IonicContact OD2-CZ 3.98Å; D638-R653 IonicContact OD2-NH1 2.75Å; D638-R653 PolarHBondContact OD2-NH1 3.07Å; D638-R653 IonicContact OD2-NH2 3.72Å; D638-R653 PolarHBondContact OD2-NH2 2.69Å; P639-R653 HydrophobicContact CG-CB 4.42Å |
| 654 | F | 93.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -145 | 161.9 | 174.2 | 59.4 | -102.1 | 0 | 0 | 0 | 111.6 | A633 F635 Y637 I652 D658 I660 L675 I686 Y742 | A633-F654 HydrophobicContact CB-CD2 3.39Å; A633-F654 HydrophobicContact CB-CE2 3.6Å; A633-F654 HydrophobicContact CB-CG 4.29Å; F635-F654 HydrophobicContact CD2-CE2 4.18Å; F635-F654 HydrophobicContact CD2-CZ 4.49Å; F635-F654 HydrophobicContact CE1-CE2 4.25Å; F635-F654 HydrophobicContact CE1-CZ 4.29Å; F635-F654 AromaticContact CE2-CE2 3.85Å; F635-F654 HydrophobicContact CE2-CE2 3.85Å; F635-F654 AromaticContact CE2-CZ 3.72Å; F635-F654 HydrophobicContact CE2-CZ 3.72Å; F635-F654 AromaticContact CZ-CE2 3.89Å; F635-F654 HydrophobicContact CZ-CE2 3.89Å; F635-F654 AromaticContact CZ-CZ 3.6Å; F635-F654 HydrophobicContact CZ-CZ 3.6Å; F635-F654 WeakPolarHBondContact O-CE2 3.44Å; Y637-F654 VanDerWaalsContact CB-CE1 3.5Å; Y637-F654 VanDerWaalsContact CB-CE2 3.47Å; Y637-F654 HydrophobicContact CD1-CD1 4.03Å; Y637-F654 AromaticContact CD1-CE1 3.5Å; Y637-F654 HydrophobicContact CD1-CE1 3.5Å; Y637-F654 VanDerWaalsContact CD1-CE1 3.5Å; Y637-F654 HydrophobicContact CD1-CZ 4.03Å; Y637-F654 HydrophobicContact CG-CD1 4.48Å; Y637-F654 AromaticContact CG-CE1 3.86Å; Y637-F654 HydrophobicContact CG-CE1 3.86Å; Y637-F654 AromaticContact CG-CZ 3.91Å; Y637-F654 HydrophobicContact CG-CZ 3.91Å; Y637-F654 PolarHBondContact N-O 2.66Å; Y637-F654 PolarHBondContact O-N 3.31Å; Y637-F654 VanDerWaalsContact O-N 3.11Å; I652-F654 HydrophobicContact CG2-CD1 4.48Å; I652-F654 WeakPolarHBondContact O-CD1 3.19Å; F654-D658 WeakPolarHBondContact CA-OD2 3.04Å; F654-D658 HydrophobicContact CB-CB 4.11Å; F654-I660 HydrophobicContact CB-CD1 4.35Å; F654-I660 HydrophobicContact CD1-CD1 3.7Å; F654-I660 HydrophobicContact CD2-CD1 4.29Å; F654-I660 HydrophobicContact CE1-CD1 3.97Å; F654-I660 HydrophobicContact CG-CD1 3.87Å; F654-I660 HydrophobicContact CZ-CD1 4.39Å; F654-L675 HydrophobicContact CB-CD2 4.21Å; F654-I686 HydrophobicContact CD1-CG2 4.1Å; F654-I686 HydrophobicContact CE1-CB 4Å; F654-I686 HydrophobicContact CE1-CG2 3.73Å; F654-Y742 HydrophobicContact CE2-CE1 4.24Å; F654-Y742 AromaticContact CZ-CE1 3.87Å; F654-Y742 HydrophobicContact CZ-CE1 3.87Å; F654-Y742 AromaticContact CZ-CZ 3.93Å; F654-Y742 WeakPolarHBondContact CZ-OH 3.38Å |
| 655 | R | 91.8 | Very high | 88.8 | Confident | 165 Ų | 165 | 50.7 Ų | 50.7 | 62% | 0.623 | 26% | 0.258 | S | S | * | . | trans | -113.5 | 168.1 | 175.1 | -62.8 | -176.9 | -175.8 | 176.6 | -0 | 110.7 | G657 D658 | R655-G657 PolarHBondContact O-N 3.34Å; R655-D658 PolarHBondContact N-OD2 3.49Å; R655-D658 WeakPolarHBondContact O-CB 3.31Å; R655-D658 PolarHBondContact O-N 3.47Å; R655-D658 VanDerWaalsContact O-N 3.16Å | ||
| 656 | V | 89.6 | Confident | 88.5 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 131.6 | 167.1 | 177.4 | 0 | 0 | 0 | 0 | 110 | E636 H911 | E636-V656 HydrophobicContact CG-CG2 3.91Å; V656-H911 VanDerWaalsContact CG1-CA 3.44Å; V656-H911 HydrophobicContact CG1-CB 4Å |
| 657 | G | 88.1 | Confident | 88.4 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -15.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A633 R655 | A633-G657 PolarHBondContact O-N 2.97Å; R655-G657 PolarHBondContact O-N 3.34Å |
| 658 | D | 92.4 | Very high | 88.1 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | trans | -62.7 | 139.6 | 178.9 | -84.5 | -30.4 | 0 | 0 | 0 | 111.7 | R632 A633 F654 R655 L675 | R632-D658 WeakPolarHBondContact CA-O 3.13Å; A633-D658 PolarHBondContact N-O 3.5Å; F654-D658 WeakPolarHBondContact CA-OD2 3.04Å; F654-D658 HydrophobicContact CB-CB 4.11Å; R655-D658 PolarHBondContact N-OD2 3.49Å; R655-D658 WeakPolarHBondContact O-CB 3.31Å; R655-D658 PolarHBondContact O-N 3.47Å; R655-D658 VanDerWaalsContact O-N 3.16Å; D658-L675 HydrophobicContact CB-CD2 3.82Å | ||
| 659 | I | 94.2 | Very high | 88.1 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.6 | 179.6 | -49.8 | -59.6 | 0 | 0 | 0 | 110.3 | Y630 V631 R632 L675 E676 V745 W942 | Y630-I659 HydrophobicContact CD1-CG2 4.33Å; V631-I659 WeakPolarHBondContact O-CA 3.4Å; R632-I659 HydrophobicContact CB-CD1 3.93Å; R632-I659 HydrophobicContact CG-CD1 4.29Å; I659-L675 WeakPolarHBondContact O-CA 3.42Å; I659-E676 HydrophobicContact CB-CB 4.24Å; I659-E676 HydrophobicContact CG2-CB 4.37Å; I659-E676 PolarHBondContact O-N 2.86Å; I659-V745 HydrophobicContact CD1-CG2 4.26Å; I659-V745 HydrophobicContact CG2-CG2 4.46Å; I659-W942 HydrophobicContact CD1-CB 4.07Å; I659-W942 HydrophobicContact CD1-CD2 4.39Å; I659-W942 HydrophobicContact CD1-CG 3.94Å; I659-W942 HydrophobicContact CG1-CD2 4.29Å; I659-W942 HydrophobicContact CG1-CG 3.99Å; I659-W942 HydrophobicContact CG2-CD2 4.02Å; I659-W942 HydrophobicContact CG2-CE3 4.29Å; I659-W942 HydrophobicContact CG2-CH2 4.11Å; I659-W942 HydrophobicContact CG2-CZ2 3.81Å; I659-W942 HydrophobicContact CG2-CZ3 4.34Å |
| 660 | I | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.2 | -176.3 | -52.6 | 167.9 | 0 | 0 | 0 | 108.6 | Y630 V631 A633 F654 I662 K674 L675 I686 Y742 | Y630-I660 WeakPolarHBondContact CA-O 3.43Å; V631-I660 HydrophobicContact CG2-CB 4.04Å; V631-I660 PolarHBondContact N-O 3.07Å; V631-I660 PolarHBondContact O-N 2.62Å; A633-I660 HydrophobicContact CB-CD1 4.18Å; F654-I660 HydrophobicContact CB-CD1 4.35Å; F654-I660 HydrophobicContact CD1-CD1 3.7Å; F654-I660 HydrophobicContact CD2-CD1 4.29Å; F654-I660 HydrophobicContact CE1-CD1 3.97Å; F654-I660 HydrophobicContact CG-CD1 3.87Å; F654-I660 HydrophobicContact CZ-CD1 4.39Å; I660-I662 HydrophobicContact CG2-CD1 4.33Å; I660-K674 CarbonylContact C-O 3.59Å; I660-K674 WeakPolarHBondContact CA-O 3.42Å; I660-L675 HydrophobicContact CG1-CD2 3.87Å; I660-I686 HydrophobicContact CD1-CD1 4.49Å; I660-I686 HydrophobicContact CG2-CD1 4.04Å; I660-Y742 HydrophobicContact CD1-CE1 4.02Å |
| 661 | Q | 93.9 | Very high | 88.8 | Confident | 41 Ų | 41 | 54 Ų | 54 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 124.1 | 165.2 | -167.9 | -167.8 | -27.9 | 0 | 0 | 108.7 | I629 Y630 I663 G673 K674 | I629-Q661 WeakPolarHBondContact O-CA 3.35Å; Y630-Q661 HydrophobicContact CD1-CB 3.69Å; Y630-Q661 HydrophobicContact CD1-CG 3.94Å; Y630-Q661 HydrophobicContact CE1-CB 3.61Å; Y630-Q661 HydrophobicContact CE1-CG 3.63Å; Q661-I663 HydrophobicContact CB-CD1 4.41Å; Q661-I663 HydrophobicContact CG-CD1 4.02Å; Q661-G673 CarbonylContact O-C 3.6Å; Q661-G673 VanDerWaalsContact O-CA 3.3Å; Q661-G673 WeakPolarHBondContact O-CA 3.46Å; Q661-K674 PolarHBondContact N-O 3.48Å; Q661-K674 PolarHBondContact O-N 3.18Å |
| 662 | I | 93.4 | Very high | 88.9 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.4 | 171.8 | -54.6 | -54.7 | 0 | 0 | 0 | 108.8 | I629 V631 I660 K665 W671 I686 | I629-I662 HydrophobicContact CB-CB 4.18Å; I629-I662 HydrophobicContact CG2-CB 4.12Å; I629-I662 HydrophobicContact CG2-CG1 4.02Å; I629-I662 PolarHBondContact O-N 3.29Å; V631-I662 HydrophobicContact CG1-CD1 4.44Å; V631-I662 HydrophobicContact CG1-CG1 4.03Å; V631-I662 HydrophobicContact CG2-CD1 3.77Å; V631-I662 HydrophobicContact CG2-CG1 4.17Å; I660-I662 HydrophobicContact CG2-CD1 4.33Å; I662-K665 HydrophobicContact CG2-CD 4.48Å; I662-K665 HydrophobicContact CG2-CG 3.77Å; I662-W671 HydrophobicContact CD1-CE3 3.95Å; I662-W671 HydrophobicContact CD1-CZ3 4.42Å; I662-W671 HydrophobicContact CG1-CE3 4.41Å; I662-W671 HydrophobicContact CG2-CE3 4.37Å; I662-I686 HydrophobicContact CD1-CD1 3.74Å |
| 663 | I | 89.6 | Confident | 88.9 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -43.3 | -177.2 | -51.3 | -59.5 | 0 | 0 | 0 | 110.7 | H520 Q661 Q672 K674 A683 | H520-I663 HydrophobicContact CB-CG2 3.47Å; H520-I663 VanDerWaalsContact CB-CG2 3.47Å; Q661-I663 HydrophobicContact CB-CD1 4.41Å; Q661-I663 HydrophobicContact CG-CD1 4.02Å; I663-Q672 WeakPolarHBondContact CA-O 3.42Å; I663-Q672 HydrophobicContact CB-CB 4.45Å; I663-Q672 WeakPolarHBondContact CB-O 3.3Å; I663-Q672 PolarHBondContact N-O 3.32Å; I663-K674 HydrophobicContact CD1-CB 4.37Å; I663-K674 HydrophobicContact CG1-CB 4.28Å; I663-A683 HydrophobicContact CB-CB 4.28Å; I663-A683 HydrophobicContact CG1-CB 4.11Å; I663-A683 HydrophobicContact CG2-CB 4.3Å |
| 664 | S | 83.5 | Confident | 88.8 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 145.6 | 175.4 | 143.6 | 0 | 0 | 0 | 0 | 110.7 | H520 D666 Q672 | H520-S664 VanDerWaalsContact CE1-CB 3.48Å; H520-S664 WeakPolarHBondContact CE1-CB 3.37Å; S664-D666 WeakPolarHBondContact CB-OD2 3.44Å; S664-D666 PolarHBondContact OG-N 2.87Å; S664-D666 PolarHBondContact OG-OD2 3.46Å; S664-Q672 PolarHBondContact N-O 3.37Å; S664-Q672 VanDerWaalsContact N-O 3.14Å; S664-Q672 PolarHBondContact O-N 3.49Å |
| 665 | K | 85.3 | Confident | 88.7 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | trans | -116.9 | 19 | 175.2 | -59.3 | -173.7 | 177.5 | -173.9 | 0 | 111.7 | I662 D667 W671 | I662-K665 HydrophobicContact CG2-CD 4.48Å; I662-K665 HydrophobicContact CG2-CG 3.77Å; K665-D667 PolarHBondContact O-N 3.27Å; K665-D667 VanDerWaalsContact O-N 3.11Å; K665-W671 HydrophobicContact CB-CD2 4.4Å; K665-W671 HydrophobicContact CB-CG 4.47Å; K665-W671 HydrophobicContact CD-CD2 4.3Å; K665-W671 HydrophobicContact CD-CE3 4.38Å; K665-W671 HydrophobicContact CD-CH2 3.86Å; K665-W671 HydrophobicContact CD-CZ2 3.74Å; K665-W671 HydrophobicContact CD-CZ3 4.18Å; K665-W671 HydrophobicContact CG-CD2 3.85Å; K665-W671 HydrophobicContact CG-CE3 4.17Å; K665-W671 HydrophobicContact CG-CG 4.27Å; K665-W671 HydrophobicContact CG-CH2 4.47Å; K665-W671 HydrophobicContact CG-CZ2 4.16Å; K665-W671 HydrophobicContact CG-CZ3 4.47Å | ||
| 666 | D | 79.3 | Confident | 88.4 | Confident | 133 Ų | 133 | 45 Ų | 45 | 71% | 0.711 | 23% | 0.233 | S | C | * | . | trans | -68.1 | -13.8 | -170.2 | -49 | -39.9 | 0 | 0 | 0 | 113.3 | H520 S664 | H520-D666 IonicContact CE1-OD2 3.03Å; S664-D666 WeakPolarHBondContact CB-OD2 3.44Å; S664-D666 PolarHBondContact OG-N 2.87Å; S664-D666 PolarHBondContact OG-OD2 3.46Å | ||
| 667 | D | 78.4 | Confident | 87.9 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -108.8 | 126.2 | 173.7 | -167.6 | -71.6 | 0 | 0 | 0 | 109.7 | R517 K665 N669 W670 W671 | R517-D667 IonicContact CZ-OD2 3.59Å; R517-D667 IonicContact NH1-OD2 3.81Å; R517-D667 PolarHBondContact NH1-OD2 2.67Å; R517-D667 IonicContact NH2-OD2 2.84Å; R517-D667 PolarHBondContact NH2-OD2 2.91Å; K665-D667 PolarHBondContact O-N 3.27Å; K665-D667 VanDerWaalsContact O-N 3.11Å; D667-N669 PolarHBondContact O-N 3.4Å; D667-N669 WeakPolarHBondContact OD1-CA 3.26Å; D667-N669 PolarHBondContact OD1-N 3.19Å; D667-W670 WeakPolarHBondContact CB-O 3.27Å; D667-W670 PolarHBondContact OD1-N 3.01Å; D667-W671 VanDerWaalsContact O-CD1 3.25Å |
| 668 | H | 75.9 | Confident | 87.3 | Confident | 126 Ų | 126 | 50.7 Ų | 50.7 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -60.2 | -26.5 | -178.9 | -172.9 | -77.1 | 0 | 0 | 0 | 113.5 | S688 | H668-S688 WeakPolarHBondContact O-CB 3.39Å; H668-S688 PolarHBondContact O-OG 3.22Å |
| 669 | N | 83.4 | Confident | 85.7 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -111 | -27.6 | -172 | -66.1 | -20.1 | 0 | 0 | 0 | 112.6 | D667 S688 L691 | D667-N669 PolarHBondContact O-N 3.4Å; D667-N669 WeakPolarHBondContact OD1-CA 3.26Å; D667-N669 PolarHBondContact OD1-N 3.19Å; N669-S688 WeakPolarHBondContact CA-OG 3.4Å; N669-S688 PolarHBondContact O-N 3.5Å; N669-S688 PolarHBondContact O-OG 3.47Å; N669-L691 HydrophobicContact CB-CD2 4.22Å; N669-L691 WeakPolarHBondContact O-CD2 3.38Å |
| 670 | W | 89.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 6% | 0.057 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 81.3 | -168.7 | -69.8 | 104.8 | 0 | 0 | 0 | 113.3 | Y637 D642 L644 I645 P646 D667 L685 I686 P687 L691 R695 | Y637-W670 WeakPolarHBondContact OH-CH2 3.4Å; Y637-W670 WeakPolarHBondContact OH-CZ3 3.41Å; D642-W670 WeakPolarHBondContact OD2-CH2 3.44Å; L644-W670 HydrophobicContact CB-CZ2 4.32Å; L644-W670 WeakPolarHBondContact O-CZ2 3.45Å; L644-W670 PolarHBondContact O-NE1 3.49Å; I645-W670 HydrophobicContact CB-CH2 3.53Å; I645-W670 HydrophobicContact CB-CZ2 3.84Å; I645-W670 HydrophobicContact CB-CZ3 4.08Å; I645-W670 HydrophobicContact CD1-CH2 4.36Å; I645-W670 HydrophobicContact CD1-CZ3 4.05Å; I645-W670 HydrophobicContact CG1-CE3 4.16Å; I645-W670 HydrophobicContact CG1-CH2 3.73Å; I645-W670 HydrophobicContact CG1-CZ2 4.18Å; I645-W670 HydrophobicContact CG1-CZ3 3.74Å; P646-W670 HydrophobicContact CG-CG 4.31Å; D667-W670 WeakPolarHBondContact CB-O 3.27Å; D667-W670 PolarHBondContact OD1-N 3.01Å; W670-L685 HydrophobicContact CB-CD2 4.41Å; W670-L685 HydrophobicContact CE3-CB 4.12Å; W670-I686 CarbonylContact C-O 3.46Å; W670-I686 WeakPolarHBondContact CA-O 3.49Å; W670-P687 HydrophobicContact CH2-CB 4.46Å; W670-P687 HydrophobicContact CZ3-CB 4.18Å; W670-L691 HydrophobicContact CD2-CD2 4.12Å; W670-L691 VanDerWaalsContact CE2-CD2 3.48Å; W670-L691 HydrophobicContact CH2-CD2 4.04Å; W670-L691 HydrophobicContact CZ2-CD2 3.44Å; W670-L691 VanDerWaalsContact CZ2-CD2 3.44Å; W670-R695 VanDerWaalsContact CZ2-NH2 3.26Å |
| 671 | W | 92.7 | Very high | 82.3 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 9% | 0.087 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 149 | 177.7 | -68 | 5.9 | 0 | 0 | 0 | 111.7 | I662 K665 D667 L685 I686 P689 | I662-W671 HydrophobicContact CD1-CE3 3.95Å; I662-W671 HydrophobicContact CD1-CZ3 4.42Å; I662-W671 HydrophobicContact CG1-CE3 4.41Å; I662-W671 HydrophobicContact CG2-CE3 4.37Å; K665-W671 HydrophobicContact CB-CD2 4.4Å; K665-W671 HydrophobicContact CB-CG 4.47Å; K665-W671 HydrophobicContact CD-CD2 4.3Å; K665-W671 HydrophobicContact CD-CE3 4.38Å; K665-W671 HydrophobicContact CD-CH2 3.86Å; K665-W671 HydrophobicContact CD-CZ2 3.74Å; K665-W671 HydrophobicContact CD-CZ3 4.18Å; K665-W671 HydrophobicContact CG-CD2 3.85Å; K665-W671 HydrophobicContact CG-CE3 4.17Å; K665-W671 HydrophobicContact CG-CG 4.27Å; K665-W671 HydrophobicContact CG-CH2 4.47Å; K665-W671 HydrophobicContact CG-CZ2 4.16Å; K665-W671 HydrophobicContact CG-CZ3 4.47Å; D667-W671 VanDerWaalsContact O-CD1 3.25Å; W671-L685 WeakPolarHBondContact O-CA 3.36Å; W671-I686 HydrophobicContact CB-CD1 4.33Å; W671-I686 HydrophobicContact CB-CG1 3.87Å; W671-I686 PolarHBondContact N-O 3.44Å; W671-I686 PolarHBondContact O-N 3.22Å; W671-P689 HydrophobicContact CH2-CG 3.46Å; W671-P689 VanDerWaalsContact CH2-CG 3.46Å; W671-P689 HydrophobicContact CZ2-CG 3.8Å; W671-P689 HydrophobicContact CZ3-CG 4.04Å |
| 672 | Q | 91.9 | Very high | 81.3 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 114.4 | 171.1 | -61.9 | -167.1 | 35.9 | 0 | 0 | 109.1 | I518 M519 H520 I663 S664 A683 G684 L685 | I518-Q672 PolarHBondContact O-NE2 3.16Å; M519-Q672 HydrophobicContact CE-CG 4.48Å; H520-Q672 PolarHBondContact ND1-OE1 3.48Å; I663-Q672 WeakPolarHBondContact CA-O 3.42Å; I663-Q672 HydrophobicContact CB-CB 4.45Å; I663-Q672 WeakPolarHBondContact CB-O 3.3Å; I663-Q672 PolarHBondContact N-O 3.32Å; S664-Q672 PolarHBondContact N-O 3.37Å; S664-Q672 VanDerWaalsContact N-O 3.14Å; S664-Q672 PolarHBondContact O-N 3.49Å; Q672-A683 HydrophobicContact CB-CB 4.19Å; Q672-G684 WeakPolarHBondContact CA-O 3.32Å; Q672-L685 HydrophobicContact CG-CD2 4.27Å |
| 673 | G | 92.1 | Very high | 81 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I652 Q661 A683 G684 | I652-G673 WeakPolarHBondContact CD1-O 3.19Å; Q661-G673 CarbonylContact O-C 3.6Å; Q661-G673 VanDerWaalsContact O-CA 3.3Å; Q661-G673 WeakPolarHBondContact O-CA 3.46Å; G673-A683 WeakPolarHBondContact O-CA 3.41Å; G673-G684 PolarHBondContact N-O 2.88Å; G673-G684 PolarHBondContact O-N 3.04Å |
| 674 | K | 91.3 | Very high | 81 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 128.8 | 170.5 | 179.4 | 170.3 | 177.2 | 169.3 | 0 | 110.9 | I660 Q661 I663 T678 G681 | I660-K674 CarbonylContact C-O 3.59Å; I660-K674 WeakPolarHBondContact CA-O 3.42Å; Q661-K674 PolarHBondContact N-O 3.48Å; Q661-K674 PolarHBondContact O-N 3.18Å; I663-K674 HydrophobicContact CD1-CB 4.37Å; I663-K674 HydrophobicContact CG1-CB 4.28Å; K674-T678 WeakPolarHBondContact CE-O 3.26Å; K674-G681 WeakPolarHBondContact CE-O 3.39Å; K674-G681 PolarHBondContact NZ-O 3.13Å |
| 675 | L | 91 | Very high | 81.4 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134.7 | 174.9 | -72.5 | 163.4 | 0 | 0 | 0 | 111.3 | I652 F654 D658 I659 I660 N677 T678 | I652-L675 HydrophobicContact CG2-CD1 3.65Å; I652-L675 HydrophobicContact CG2-CG 3.83Å; F654-L675 HydrophobicContact CB-CD2 4.21Å; D658-L675 HydrophobicContact CB-CD2 3.82Å; I659-L675 WeakPolarHBondContact O-CA 3.42Å; I660-L675 HydrophobicContact CG1-CD2 3.87Å; L675-N677 VanDerWaalsContact C-N 3.25Å; L675-N677 PolarHBondContact O-N 3.05Å; L675-T678 PolarHBondContact O-N 3.22Å; L675-T678 VanDerWaalsContact O-N 3.08Å |
| 676 | E | 86.3 | Confident | 81.8 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 33% | 0.327 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -45.3 | -177 | -171.9 | -161 | -175.5 | 0 | 0 | 111.6 | I659 T678 K747 W942 | I659-E676 HydrophobicContact CB-CB 4.24Å; I659-E676 HydrophobicContact CG2-CB 4.37Å; I659-E676 PolarHBondContact O-N 2.86Å; E676-T678 PolarHBondContact O-N 3.48Å; E676-K747 IonicContact OE1-NZ 3.6Å; E676-K747 PolarHBondContact OE1-NZ 2.88Å; E676-K747 IonicContact OE2-NZ 2.63Å; E676-W942 HydrophobicContact CG-CZ2 4.25Å; E676-W942 PolarHBondContact OE2-NE1 3.33Å |
| 677 | N | 78.8 | Confident | 82.5 | Confident | 139 Ų | 139 | 51.9 Ų | 51.9 | 74% | 0.743 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -7.3 | -173.9 | -67.2 | -40.8 | 0 | 0 | 0 | 113.9 | L675 K679 | L675-N677 VanDerWaalsContact C-N 3.25Å; L675-N677 PolarHBondContact O-N 3.05Å; N677-K679 PolarHBondContact O-N 3.12Å |
| 678 | T | 75.9 | Confident | 83.1 | Confident | 66 Ų | 66 | 50 Ų | 50 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | trans | -90.5 | 91.8 | -177 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | K674 L675 E676 N680 | K674-T678 WeakPolarHBondContact CE-O 3.26Å; L675-T678 PolarHBondContact O-N 3.22Å; L675-T678 VanDerWaalsContact O-N 3.08Å; E676-T678 PolarHBondContact O-N 3.48Å; T678-N680 PolarHBondContact O-N 3.02Å | ||
| 679 | K | 57.9 | Low | 83.6 | Confident | 194 Ų | 194 | 45 Ų | 45 | 84% | 0.843 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 132.4 | 173.2 | -63.9 | -177.8 | -178.1 | 177 | 0 | 110.7 | N677 G681 | N677-K679 PolarHBondContact O-N 3.12Å; K679-G681 VanDerWaalsContact C-N 3.27Å; K679-G681 PolarHBondContact O-N 3.34Å |
| 680 | N | 56.2 | Low | 83.6 | Confident | 163 Ų | 163 | 45.4 Ų | 45.4 | 87% | 0.872 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 13.5 | 172.1 | -63.3 | -0.1 | 0 | 0 | 0 | 119.4 | T678 | T678-N680 PolarHBondContact O-N 3.02Š|
| 681 | G | 62.4 | Low | 83.3 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 147.6 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | K674 K679 | K674-G681 WeakPolarHBondContact CE-O 3.39Å; K674-G681 PolarHBondContact NZ-O 3.13Å; K679-G681 VanDerWaalsContact C-N 3.27Å; K679-G681 PolarHBondContact O-N 3.34Å |
| 682 | T | 73.3 | Confident | 83.1 | Confident | 48 Ų | 48 | 45.4 Ų | 45.4 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 156.8 | 162.9 | -45.7 | 0 | 0 | 0 | 0 | 110.2 | M519 | M519-T682 HydrophobicContact CB-CG2 4.03Š|
| 683 | A | 85.9 | Confident | 82.6 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 148 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M519 H520 I663 Q672 G673 | M519-A683 WeakPolarHBondContact CE-O 3.47Å; H520-A683 HydrophobicContact CB-CB 4.18Å; H520-A683 WeakPolarHBondContact O-CB 3.32Å; H520-A683 PolarHBondContact O-N 3.5Å; I663-A683 HydrophobicContact CB-CB 4.28Å; I663-A683 HydrophobicContact CG1-CB 4.11Å; I663-A683 HydrophobicContact CG2-CB 4.3Å; Q672-A683 HydrophobicContact CB-CB 4.19Å; G673-A683 WeakPolarHBondContact O-CA 3.41Å |
| 684 | G | 89.6 | Confident | 82 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 167.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A650 Q672 G673 | A650-G684 CarbonylContact O-C 3.56Å; A650-G684 VanDerWaalsContact O-CA 3.23Å; A650-G684 WeakPolarHBondContact O-CA 3.29Å; Q672-G684 WeakPolarHBondContact CA-O 3.32Å; G673-G684 PolarHBondContact N-O 2.88Å; G673-G684 PolarHBondContact O-N 3.04Å |
| 685 | L | 92.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.7 | -173.9 | -57.4 | -179 | 0 | 0 | 0 | 111.7 | M519 I645 A650 G651 I652 W670 W671 Q672 | M519-L685 HydrophobicContact CE-CD2 3.9Å; M519-L685 HydrophobicContact CE-CG 4.15Å; M519-L685 HydrophobicContact SD-CD2 4.3Å; I645-L685 HydrophobicContact CD1-CB 4.28Å; I645-L685 HydrophobicContact CG1-CD1 4.39Å; A650-L685 HydrophobicContact CB-CD1 4.08Å; A650-L685 HydrophobicContact CB-CG 4.12Å; A650-L685 PolarHBondContact O-N 3.33Å; G651-L685 WeakPolarHBondContact CA-O 3.43Å; I652-L685 PolarHBondContact N-O 3.13Å; W670-L685 HydrophobicContact CB-CD2 4.41Å; W670-L685 HydrophobicContact CE3-CB 4.12Å; W671-L685 WeakPolarHBondContact O-CA 3.36Å; Q672-L685 HydrophobicContact CG-CD2 4.27Å |
| 686 | I | 94.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.8 | 166.5 | 65.2 | -179.4 | 0 | 0 | 0 | 108.1 | I652 F654 I660 I662 W670 W671 Y742 | I652-I686 HydrophobicContact CB-CG2 3.94Å; I652-I686 HydrophobicContact CD1-CG2 4.4Å; F654-I686 HydrophobicContact CD1-CG2 4.1Å; F654-I686 HydrophobicContact CE1-CB 4Å; F654-I686 HydrophobicContact CE1-CG2 3.73Å; I660-I686 HydrophobicContact CD1-CD1 4.49Å; I660-I686 HydrophobicContact CG2-CD1 4.04Å; I662-I686 HydrophobicContact CD1-CD1 3.74Å; W670-I686 CarbonylContact C-O 3.46Å; W670-I686 WeakPolarHBondContact CA-O 3.49Å; W671-I686 HydrophobicContact CB-CD1 4.33Å; W671-I686 HydrophobicContact CB-CG1 3.87Å; W671-I686 PolarHBondContact N-O 3.44Å; W671-I686 PolarHBondContact O-N 3.22Å; I686-Y742 HydrophobicContact CD1-CE1 4.47Å |
| 687 | P | 93.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 145.3 | 172 | 28.7 | -35.7 | 0 | 0 | 0 | 109.8 | F635 Y637 W670 L691 Y742 | F635-P687 HydrophobicContact CE2-CG 4.11Å; F635-P687 HydrophobicContact CZ-CG 3.92Å; Y637-P687 HydrophobicContact CD1-CG 4.44Å; Y637-P687 HydrophobicContact CD2-CG 4.29Å; Y637-P687 HydrophobicContact CE2-CG 4.45Å; Y637-P687 HydrophobicContact CG-CG 4.33Å; W670-P687 HydrophobicContact CH2-CB 4.46Å; W670-P687 HydrophobicContact CZ3-CB 4.18Å; P687-L691 HydrophobicContact CB-CB 4.38Å; P687-L691 HydrophobicContact CB-CD2 3.93Å; P687-L691 HydrophobicContact CB-CG 4.25Å; P687-Y742 VanDerWaalsContact O-CE2 3.31Å; P687-Y742 WeakPolarHBondContact O-CE2 3.46Å; P687-Y742 PolarHBondContact O-OH 3.25Å |
| 688 | S | 90.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -69.8 | 163.8 | 169.1 | 69 | 0 | 0 | 0 | 0 | 111.4 | H668 N669 E690 L691 Q692 | H668-S688 WeakPolarHBondContact O-CB 3.39Å; H668-S688 PolarHBondContact O-OG 3.22Å; N669-S688 WeakPolarHBondContact CA-OG 3.4Å; N669-S688 PolarHBondContact O-N 3.5Å; N669-S688 PolarHBondContact O-OG 3.47Å; S688-E690 WeakPolarHBondContact CB-OE2 3.01Å; S688-E690 PolarHBondContact O-N 3.2Å; S688-E690 PolarHBondContact OG-OE2 2.95Å; S688-E690 VanDerWaalsContact OG-OE2 3.11Å; S688-L691 PolarHBondContact O-N 3.32Å; S688-L691 WeakPolarHBondContact OG-CB 3.11Å; S688-L691 PolarHBondContact OG-N 3.15Å; S688-L691 VanDerWaalsContact OG-N 3.12Å; S688-Q692 WeakPolarHBondContact O-CB 3.41Å; S688-Q692 PolarHBondContact O-N 2.93Å | ||
| 689 | P | 87.3 | Confident | 79.8 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 13% | 0.13 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.2 | -45.9 | 170.3 | -23.7 | 31.9 | 0 | 0 | 0 | 112.1 | W671 L691 Q692 E693 T741 Y742 | W671-P689 HydrophobicContact CH2-CG 3.46Å; W671-P689 VanDerWaalsContact CH2-CG 3.46Å; W671-P689 HydrophobicContact CZ2-CG 3.8Å; W671-P689 HydrophobicContact CZ3-CG 4.04Å; P689-L691 PolarHBondContact O-N 3.27Å; P689-Q692 PolarHBondContact O-N 2.69Å; P689-Q692 VanDerWaalsContact O-N 3.11Å; P689-E693 WeakPolarHBondContact O-CG 3.32Å; P689-E693 PolarHBondContact O-N 3.07Å; P689-T741 HydrophobicContact CB-CG2 4.3Å; P689-Y742 HydrophobicContact CG-CD2 4.17Å |
| 690 | E | 82.2 | Confident | 80.3 | Confident | 81 Ų | 81 | 36.8 Ų | 36.8 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.1 | -41 | -176.3 | -55.4 | 78.1 | -171.2 | 0 | 0 | 111.4 | S688 Q692 W694 | S688-E690 WeakPolarHBondContact CB-OE2 3.01Å; S688-E690 PolarHBondContact O-N 3.2Å; S688-E690 PolarHBondContact OG-OE2 2.95Å; S688-E690 VanDerWaalsContact OG-OE2 3.11Å; E690-Q692 VanDerWaalsContact C-N 3.34Å; E690-W694 PolarHBondContact O-N 3.14Å; E690-W694 VanDerWaalsContact O-N 3.16Å |
| 691 | L | 84.8 | Confident | 80.9 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.5 | -36 | 174.6 | -179 | 60.7 | 0 | 0 | 0 | 111.7 | N669 W670 P687 S688 P689 W694 R695 | N669-L691 HydrophobicContact CB-CD2 4.22Å; N669-L691 WeakPolarHBondContact O-CD2 3.38Å; W670-L691 HydrophobicContact CD2-CD2 4.12Å; W670-L691 VanDerWaalsContact CE2-CD2 3.48Å; W670-L691 HydrophobicContact CH2-CD2 4.04Å; W670-L691 HydrophobicContact CZ2-CD2 3.44Å; W670-L691 VanDerWaalsContact CZ2-CD2 3.44Å; P687-L691 HydrophobicContact CB-CB 4.38Å; P687-L691 HydrophobicContact CB-CD2 3.93Å; P687-L691 HydrophobicContact CB-CG 4.25Å; S688-L691 PolarHBondContact O-N 3.32Å; S688-L691 WeakPolarHBondContact OG-CB 3.11Å; S688-L691 PolarHBondContact OG-N 3.15Å; S688-L691 VanDerWaalsContact OG-N 3.12Å; P689-L691 PolarHBondContact O-N 3.27Å; L691-W694 HydrophobicContact CD1-CE3 4.42Å; L691-R695 WeakPolarHBondContact O-CD 3.34Å; L691-R695 VanDerWaalsContact O-CG 3.27Å; L691-R695 WeakPolarHBondContact O-CG 3.14Å; L691-R695 PolarHBondContact O-N 2.84Å; L691-R695 VanDerWaalsContact O-N 3.15Å |
| 692 | Q | 88.2 | Confident | 81.1 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.7 | -41.5 | 177.6 | 177.8 | 61.1 | 11 | 0 | 0 | 112.3 | F635 S688 P689 E690 W694 R695 V696 T741 | F635-Q692 HydrophobicContact CD1-CG 3.95Å; F635-Q692 HydrophobicContact CD2-CG 4.28Å; F635-Q692 VanDerWaalsContact CD2-NE2 3.26Å; F635-Q692 HydrophobicContact CE1-CB 4.35Å; F635-Q692 HydrophobicContact CE1-CG 3.65Å; F635-Q692 HydrophobicContact CE2-CG 3.96Å; F635-Q692 HydrophobicContact CG-CG 4.28Å; F635-Q692 HydrophobicContact CZ-CB 4.1Å; F635-Q692 HydrophobicContact CZ-CG 3.63Å; S688-Q692 WeakPolarHBondContact O-CB 3.41Å; S688-Q692 PolarHBondContact O-N 2.93Å; P689-Q692 PolarHBondContact O-N 2.69Å; P689-Q692 VanDerWaalsContact O-N 3.11Å; E690-Q692 VanDerWaalsContact C-N 3.34Å; Q692-W694 VanDerWaalsContact C-N 3.33Å; Q692-W694 PolarHBondContact O-N 2.77Å; Q692-R695 WeakPolarHBondContact O-CB 3.32Å; Q692-R695 PolarHBondContact O-N 3.33Å; Q692-R695 VanDerWaalsContact O-N 3.15Å; Q692-V696 WeakPolarHBondContact O-CG2 3.36Å; Q692-V696 PolarHBondContact O-N 2.63Å; Q692-T741 HydrophobicContact CB-CG2 4.07Å; Q692-T741 HydrophobicContact CG-CG2 3.94Å |
| 693 | E | 80.9 | Confident | 80.7 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 173.8 | -73.1 | 168.4 | -161.4 | 0 | 0 | 111.3 | P689 R695 V696 A697 L739 T741 | P689-E693 WeakPolarHBondContact O-CG 3.32Å; P689-E693 PolarHBondContact O-N 3.07Å; E693-R695 VanDerWaalsContact C-N 3.3Å; E693-R695 PolarHBondContact O-N 2.89Å; E693-V696 PolarHBondContact O-N 3.29Å; E693-A697 WeakPolarHBondContact O-CB 3.28Å; E693-A697 PolarHBondContact O-N 3.11Å; E693-L739 HydrophobicContact CB-CD2 4.49Å; E693-L739 HydrophobicContact CG-CB 4.29Å; E693-L739 HydrophobicContact CG-CD1 4.2Å; E693-L739 HydrophobicContact CG-CD2 4.41Å; E693-T741 HydrophobicContact CG-CG2 3.76Å |
| 694 | W | 79.2 | Confident | 79.7 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 38% | 0.375 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.3 | -38.3 | 175.4 | -179.9 | 93.2 | 0 | 0 | 0 | 112.6 | L644 E690 L691 Q692 C698 Y726 | L644-W694 HydrophobicContact CD1-CE3 4.39Å; L644-W694 HydrophobicContact CD1-CH2 4.11Å; L644-W694 HydrophobicContact CD1-CZ3 3.52Å; E690-W694 PolarHBondContact O-N 3.14Å; E690-W694 VanDerWaalsContact O-N 3.16Å; L691-W694 HydrophobicContact CD1-CE3 4.42Å; Q692-W694 VanDerWaalsContact C-N 3.33Å; Q692-W694 PolarHBondContact O-N 2.77Å; W694-C698 PolarHBondContact O-N 3.27Å; W694-C698 PolarHBondContact O-SG 2.98Å; W694-Y726 AromaticContact CD1-CD1 3.83Å; W694-Y726 AromaticContact CD1-CD2 3.83Å; W694-Y726 AromaticContact CD1-CE1 3.92Å; W694-Y726 AromaticContact CD1-CE2 3.92Å; W694-Y726 AromaticContact CD1-CG 3.81Å; W694-Y726 AromaticContact CD1-CZ 3.99Å; W694-Y726 AromaticContact NE1-CD2 3.32Å; W694-Y726 VanDerWaalsContact NE1-CD2 3.32Å; W694-Y726 AromaticContact NE1-CE2 3.49Å; W694-Y726 AromaticContact NE1-CG 3.73Å; W694-Y726 PolarHBondContact O-OH 3.32Å |
| 695 | R | 79.7 | Confident | 78.2 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -48.3 | 175.4 | -71.7 | 163.7 | -176.5 | -158.3 | -9 | 112.4 | D642 W670 L691 Q692 E693 A697 C698 I699 | D642-R695 VanDerWaalsContact CG-NH2 3.3Å; D642-R695 IonicContact OD1-CZ 3.35Å; D642-R695 IonicContact OD1-NH2 2.59Å; D642-R695 PolarHBondContact OD1-NH2 3.4Å; D642-R695 VanDerWaalsContact OD1-NH2 3.13Å; D642-R695 IonicContact OD2-CZ 3.57Å; D642-R695 IonicContact OD2-NH1 2.75Å; D642-R695 PolarHBondContact OD2-NH1 3.4Å; D642-R695 IonicContact OD2-NH2 3.41Å; D642-R695 PolarHBondContact OD2-NH2 3.4Å; W670-R695 VanDerWaalsContact CZ2-NH2 3.26Å; L691-R695 WeakPolarHBondContact O-CD 3.34Å; L691-R695 VanDerWaalsContact O-CG 3.27Å; L691-R695 WeakPolarHBondContact O-CG 3.14Å; L691-R695 PolarHBondContact O-N 2.84Å; L691-R695 VanDerWaalsContact O-N 3.15Å; Q692-R695 WeakPolarHBondContact O-CB 3.32Å; Q692-R695 PolarHBondContact O-N 3.33Å; Q692-R695 VanDerWaalsContact O-N 3.15Å; E693-R695 VanDerWaalsContact C-N 3.3Å; E693-R695 PolarHBondContact O-N 2.89Å; R695-A697 VanDerWaalsContact C-N 3.3Å; R695-A697 PolarHBondContact O-N 2.85Å; R695-C698 WeakPolarHBondContact O-CB 3.42Å; R695-C698 PolarHBondContact O-N 2.99Å; R695-I699 WeakPolarHBondContact O-CG1 3.29Å; R695-I699 PolarHBondContact O-N 2.67Å |
| 696 | V | 77.3 | Confident | 76.3 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | Q692 E693 C698 I699 A700 L739 | Q692-V696 WeakPolarHBondContact O-CG2 3.36Å; Q692-V696 PolarHBondContact O-N 2.63Å; E693-V696 PolarHBondContact O-N 3.29Å; V696-C698 VanDerWaalsContact C-N 3.33Å; V696-C698 PolarHBondContact O-N 2.98Å; V696-I699 PolarHBondContact O-N 3.03Å; V696-A700 PolarHBondContact O-N 3.45Å; V696-L739 HydrophobicContact CB-CD2 4.28Å; V696-L739 HydrophobicContact CG1-CD2 4.04Å |
| 697 | A | 72.3 | Confident | 74.3 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E693 R695 A700 M701 Y726 F734 | E693-A697 WeakPolarHBondContact O-CB 3.28Å; E693-A697 PolarHBondContact O-N 3.11Å; R695-A697 VanDerWaalsContact C-N 3.3Å; R695-A697 PolarHBondContact O-N 2.85Å; A697-A700 PolarHBondContact O-N 3.41Å; A697-M701 WeakPolarHBondContact O-CG 3.49Å; A697-M701 PolarHBondContact O-N 3.08Å; A697-Y726 HydrophobicContact CB-CE1 3.69Å; A697-Y726 WeakPolarHBondContact CB-OH 3.45Å; A697-Y726 PolarHBondContact O-OH 3.31Å; A697-F734 HydrophobicContact CB-CE1 4.07Å; A697-F734 HydrophobicContact CB-CZ 4.35Å |
| 698 | C | 74.4 | Confident | 72.1 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | -179.8 | -80.5 | 0 | 0 | 0 | 0 | 110.7 | W694 R695 V696 A700 M701 E702 K725 Y726 | W694-C698 PolarHBondContact O-N 3.27Å; W694-C698 PolarHBondContact O-SG 2.98Å; R695-C698 WeakPolarHBondContact O-CB 3.42Å; R695-C698 PolarHBondContact O-N 2.99Å; V696-C698 VanDerWaalsContact C-N 3.33Å; V696-C698 PolarHBondContact O-N 2.98Å; C698-A700 VanDerWaalsContact C-N 3.32Å; C698-A700 PolarHBondContact O-N 2.96Å; C698-M701 PolarHBondContact O-N 2.86Å; C698-E702 WeakPolarHBondContact O-CG 3.41Å; C698-E702 PolarHBondContact O-N 2.9Å; C698-K725 PolarHBondContact SG-NZ 3.35Å; C698-Y726 WeakPolarHBondContact CA-OH 3.44Å; C698-Y726 PolarHBondContact N-OH 3.36Å; C698-Y726 VanDerWaalsContact SG-CE2 3.53Å; C698-Y726 PolarHBondContact SG-OH 3.13Å |
| 699 | I | 74.3 | Confident | 69.9 | Low | 96 Ų | 96 | 75 Ų | 75 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 178.5 | -65 | 163.9 | 0 | 0 | 0 | 110.6 | R695 V696 E702 K703 | R695-I699 WeakPolarHBondContact O-CG1 3.29Å; R695-I699 PolarHBondContact O-N 2.67Å; V696-I699 PolarHBondContact O-N 3.03Å; I699-E702 PolarHBondContact O-N 2.71Å; I699-K703 PolarHBondContact O-N 3.47Å |
| 700 | A | 68.7 | Low | 67.8 | Low | 28 Ų | 28 | 78.4 Ų | 78.4 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V696 A697 C698 E702 K703 T704 L737 | V696-A700 PolarHBondContact O-N 3.45Å; A697-A700 PolarHBondContact O-N 3.41Å; C698-A700 VanDerWaalsContact C-N 3.32Å; C698-A700 PolarHBondContact O-N 2.96Å; A700-E702 VanDerWaalsContact C-N 3.3Å; A700-E702 PolarHBondContact O-N 2.93Å; A700-K703 PolarHBondContact O-N 3.28Å; A700-T704 PolarHBondContact O-N 3.35Å; A700-T704 VanDerWaalsContact O-N 3.1Å; A700-T704 PolarHBondContact O-OG1 3.14Å; A700-L737 HydrophobicContact CB-CD1 4.49Å; A700-L737 HydrophobicContact CB-CD2 4.35Å |
| 701 | M | 67.1 | Low | 65.5 | Low | 89 Ų | 89 | 79.5 Ų | 79.5 | 44% | 0.438 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 177.1 | -70.1 | -178.3 | -177.7 | 0 | 0 | 112.8 | A697 C698 K705 Y726 | A697-M701 WeakPolarHBondContact O-CG 3.49Å; A697-M701 PolarHBondContact O-N 3.08Å; C698-M701 PolarHBondContact O-N 2.86Å; M701-K705 WeakPolarHBondContact O-CB 3.34Å; M701-K705 PolarHBondContact O-N 3.08Å; M701-K705 VanDerWaalsContact O-N 3.15Å; M701-Y726 HydrophobicContact CE-CE1 4.27Å; M701-Y726 HydrophobicContact SD-CE2 4.4Å |
| 702 | E | 68.4 | Low | 62.8 | Low | 107 Ų | 107 | 83.4 Ų | 83.4 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 178.6 | -76.8 | 170.8 | -162.7 | 0 | 0 | 112.7 | C698 I699 A700 K705 Q706 K725 | C698-E702 WeakPolarHBondContact O-CG 3.41Å; C698-E702 PolarHBondContact O-N 2.9Å; I699-E702 PolarHBondContact O-N 2.71Å; A700-E702 VanDerWaalsContact C-N 3.3Å; A700-E702 PolarHBondContact O-N 2.93Å; E702-K705 WeakPolarHBondContact O-CB 3.34Å; E702-K705 PolarHBondContact O-N 3.15Å; E702-Q706 PolarHBondContact O-N 3.36Å; E702-K725 IonicContact OE1-NZ 2.64Å |
| 703 | K | 64.9 | Low | 60 | Low | 123 Ų | 123 | 89.2 Ų | 89.2 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 172.5 | -78.4 | -177.6 | 177.7 | 179.7 | 0 | 112.3 | I699 A700 K705 Q706 E707 | I699-K703 PolarHBondContact O-N 3.47Å; A700-K703 PolarHBondContact O-N 3.28Å; K703-K705 PolarHBondContact O-N 2.84Å; K703-Q706 PolarHBondContact O-N 3.13Å; K703-E707 WeakPolarHBondContact O-CG 3.33Å; K703-E707 PolarHBondContact O-N 2.77Å |
| 704 | T | 63.1 | Low | 57.7 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.9 | -35.3 | 177.9 | -50.5 | 0 | 0 | 0 | 0 | 111.4 | A700 Q708 | A700-T704 PolarHBondContact O-N 3.35Å; A700-T704 VanDerWaalsContact O-N 3.1Å; A700-T704 PolarHBondContact O-OG1 3.14Å; T704-Q708 WeakPolarHBondContact O-CB 3.41Å; T704-Q708 VanDerWaalsContact O-CG 3.28Å; T704-Q708 WeakPolarHBondContact O-CG 3.09Å; T704-Q708 PolarHBondContact O-N 3.27Å; T704-Q708 VanDerWaalsContact O-N 3.09Å |
| 705 | K | 58.5 | Low | 55.3 | Low | 139 Ų | 139 | 101.6 Ų | 101.6 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -40.1 | 175.4 | -167.2 | 176.1 | -179 | -179.4 | 0 | 112.5 | M701 E702 K703 Q709 | M701-K705 WeakPolarHBondContact O-CB 3.34Å; M701-K705 PolarHBondContact O-N 3.08Å; M701-K705 VanDerWaalsContact O-N 3.15Å; E702-K705 WeakPolarHBondContact O-CB 3.34Å; E702-K705 PolarHBondContact O-N 3.15Å; K703-K705 PolarHBondContact O-N 2.84Å; K705-Q709 WeakPolarHBondContact O-CB 3.47Å; K705-Q709 PolarHBondContact O-N 2.64Å |
| 706 | Q | 53 | Low | 52.9 | Low | 137 Ų | 137 | 103.5 Ų | 103.5 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69 | -41.2 | 175.1 | -75.4 | -177 | -12 | 0 | 0 | 112.8 | E702 K703 Q709 A710 | E702-Q706 PolarHBondContact O-N 3.36Å; K703-Q706 PolarHBondContact O-N 3.13Å; Q706-Q709 CarbonylContact O-C 3.5Å; Q706-Q709 WeakPolarHBondContact O-CA 3.42Å; Q706-Q709 WeakPolarHBondContact O-CB 3.13Å; Q706-Q709 PolarHBondContact O-N 2.66Å; Q706-A710 PolarHBondContact O-N 3.08Å |
| 707 | E | 51.6 | Low | 50.5 | Low | 130 Ų | 130 | 111.3 Ų | 111.3 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.3 | -41.4 | 177.7 | -71.6 | 168.5 | 170.9 | 0 | 0 | 111.6 | K703 Q709 A710 S711 | K703-E707 WeakPolarHBondContact O-CG 3.33Å; K703-E707 PolarHBondContact O-N 2.77Å; E707-Q709 PolarHBondContact O-N 2.91Å; E707-A710 PolarHBondContact O-N 3.49Å; E707-S711 PolarHBondContact O-N 3.19Å |
| 708 | Q | 48.3 | Very low | 48.4 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 57% | 0.57 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.4 | -24.5 | 170.3 | -73.2 | -179.7 | 16.7 | 0 | 0 | 113.2 | T704 C712 | T704-Q708 WeakPolarHBondContact O-CB 3.41Å; T704-Q708 VanDerWaalsContact O-CG 3.28Å; T704-Q708 WeakPolarHBondContact O-CG 3.09Å; T704-Q708 PolarHBondContact O-N 3.27Å; T704-Q708 VanDerWaalsContact O-N 3.09Å; Q708-C712 PolarHBondContact O-SG 3.07Å |
| 709 | Q | 44.5 | Very low | 46.2 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -85.3 | -29.7 | 179.1 | -150.7 | 166.3 | -2.6 | 0 | 0 | 112.2 | K705 Q706 E707 | K705-Q709 WeakPolarHBondContact O-CB 3.47Å; K705-Q709 PolarHBondContact O-N 2.64Å; Q706-Q709 CarbonylContact O-C 3.5Å; Q706-Q709 WeakPolarHBondContact O-CA 3.42Å; Q706-Q709 WeakPolarHBondContact O-CB 3.13Å; Q706-Q709 PolarHBondContact O-N 2.66Å; E707-Q709 PolarHBondContact O-N 2.91Å |
| 710 | A | 41.5 | Very low | 44 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.9 | -24.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q706 E707 C712 | Q706-A710 PolarHBondContact O-N 3.08Å; E707-A710 PolarHBondContact O-N 3.49Å; A710-C712 VanDerWaalsContact C-N 3.3Å; A710-C712 PolarHBondContact O-N 3.03Å |
| 711 | S | 34.8 | Very low | 42 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 19.3 | -176.3 | -158.5 | 0 | 0 | 0 | 0 | 114.9 | E707 | E707-S711 PolarHBondContact O-N 3.19Š|
| 712 | C | 28.6 | Very low | 40 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | trans | -103.3 | 86.2 | -168.3 | -73.5 | 0 | 0 | 0 | 0 | 114.6 | Q708 A710 | Q708-C712 PolarHBondContact O-SG 3.07Å; A710-C712 VanDerWaalsContact C-N 3.3Å; A710-C712 PolarHBondContact O-N 3.03Å | ||
| 713 | T | 29.9 | Very low | 38.1 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 87% | 0.871 | 73% | 0.73 | S | S | * | * | trans | -99.5 | 105.3 | 155.2 | 27.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 714 | W | 31.1 | Very low | 36.3 | Very low | 235 Ų | 235 | 151.1 Ų | 151.1 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 50.6 | 88.3 | 149.3 | -141 | 13.3 | 0 | 0 | 0 | 119.3 | ||
| 715 | F | 28.8 | Very low | 34.6 | Very low | 201 Ų | 201 | 153 Ų | 153 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | -170.3 | 135.9 | 114.5 | -102.3 | -73.1 | 0 | 0 | 0 | 108.2 | |||||
| 716 | G | 29.9 | Very low | 33.1 | Very low | 66 Ų | 66 | 149.6 Ų | 149.6 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | trans | -147.4 | 143.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 717 | K | 26.4 | Very low | 31.9 | Very low | 200 Ų | 200 | 150.8 Ų | 150.8 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | 163.3 | 129.2 | 151.4 | -92.4 | 158.1 | -172.6 | 178.8 | 0 | 108.2 | ||||
| 718 | K | 28.4 | Very low | 30.9 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | cis | -141 | 126.2 | -13.4 | -72.8 | 178.5 | 176.1 | 177.2 | 0 | 107.1 | ||||
| 719 | K | 27.8 | Very low | 29.9 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 132 | 176.4 | -88 | -177.8 | 174.1 | 178.2 | 0 | 111.1 | ||
| 720 | K | 28.8 | Very low | 29.1 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 144.8 | 176.8 | -162 | 178.8 | -179.1 | -169.6 | 0 | 110.2 | Y722 | K720-Y722 PolarHBondContact O-N 2.98Š|
| 721 | Q | 27 | Very low | 28.7 | Very low | 191 Ų | 191 | 151 Ų | 151 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127.5 | 177.6 | -77.9 | 172.2 | -31.8 | 0 | 0 | 111 | ||
| 722 | Y | 25.2 | Very low | 28.6 | Very low | 203 Ų | 203 | 149.9 Ų | 149.9 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | -88.2 | 100.2 | 167.2 | -95.6 | -102.4 | 0 | 0 | 0 | 109.4 | K720 | K720-Y722 PolarHBondContact O-N 2.98Š| ||
| 723 | K | 29.1 | Very low | 28.9 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | -99.8 | 114.7 | 140.9 | -88.1 | -173 | 172.6 | -176.2 | 0 | 105.7 | ||||
| 724 | D | 26.4 | Very low | 29 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | 168.5 | 150.6 | 129.6 | -79 | -13.7 | 0 | 0 | 0 | 110.3 | |||||
| 725 | K | 27.6 | Very low | 29.4 | Very low | 110 Ų | 110 | 139 Ų | 139 | 48% | 0.478 | 69% | 0.687 | S | S | . | * | trans | -140.3 | 139.6 | -158.8 | -128.3 | -174.1 | -176.4 | -172.5 | 0 | 108.7 | C698 E702 | C698-K725 PolarHBondContact SG-NZ 3.35Å; E702-K725 IonicContact OE1-NZ 2.64Å | ||
| 726 | Y | 26.6 | Very low | 29.9 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 27% | 0.267 | 68% | 0.681 | S | S | . | * | trans | 68.1 | 101.9 | 167.5 | -68.7 | -80.1 | 0 | 0 | 0 | 120.7 | W694 A697 C698 M701 | W694-Y726 AromaticContact CD1-CD1 3.83Å; W694-Y726 AromaticContact CD1-CD2 3.83Å; W694-Y726 AromaticContact CD1-CE1 3.92Å; W694-Y726 AromaticContact CD1-CE2 3.92Å; W694-Y726 AromaticContact CD1-CG 3.81Å; W694-Y726 AromaticContact CD1-CZ 3.99Å; W694-Y726 AromaticContact NE1-CD2 3.32Å; W694-Y726 VanDerWaalsContact NE1-CD2 3.32Å; W694-Y726 AromaticContact NE1-CE2 3.49Å; W694-Y726 AromaticContact NE1-CG 3.73Å; W694-Y726 PolarHBondContact O-OH 3.32Å; A697-Y726 HydrophobicContact CB-CE1 3.69Å; A697-Y726 WeakPolarHBondContact CB-OH 3.45Å; A697-Y726 PolarHBondContact O-OH 3.31Å; C698-Y726 WeakPolarHBondContact CA-OH 3.44Å; C698-Y726 PolarHBondContact N-OH 3.36Å; C698-Y726 VanDerWaalsContact SG-CE2 3.53Å; C698-Y726 PolarHBondContact SG-OH 3.13Å; M701-Y726 HydrophobicContact CE-CE1 4.27Å; M701-Y726 HydrophobicContact SD-CE2 4.4Å | ||
| 727 | L | 28 | Very low | 30.7 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | trans | -132.6 | 133.5 | 137.4 | -93.7 | 166.3 | 0 | 0 | 0 | 108.6 | K729 | L727-K729 VanDerWaalsContact C-N 3.29Å; L727-K729 PolarHBondContact O-N 3.21Å | ||
| 728 | A | 30 | Very low | 32.1 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -77.8 | 72.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 729 | K | 28 | Very low | 33.8 | Very low | 163 Ų | 163 | 123.5 Ų | 123.5 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | trans | -145.2 | 60.4 | 176.3 | -153 | 180 | -174.6 | -172.5 | 0 | 112.1 | L727 | L727-K729 VanDerWaalsContact C-N 3.29Å; L727-K729 PolarHBondContact O-N 3.21Å | ||
| 730 | H | 27 | Very low | 36.2 | Very low | 125 Ų | 125 | 115.5 Ų | 115.5 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | trans | -141.3 | 53.6 | 178.4 | -97.7 | -71.8 | 0 | 0 | 0 | 111.9 | A732 V733 F734 | H730-A732 PolarHBondContact O-N 3.31Å; H730-A732 VanDerWaalsContact O-N 3.12Å; H730-V733 PolarHBondContact O-N 3.31Å; H730-F734 HydrophobicContact CB-CD2 4.01Å; H730-F734 HydrophobicContact CB-CE2 3.97Å; H730-F734 VanDerWaalsContact O-CD2 3.31Å; H730-F734 WeakPolarHBondContact O-CD2 3.48Å; H730-F734 PolarHBondContact O-N 3.1Å | ||
| 731 | N | 33.5 | Very low | 39.1 | Very low | 106 Ų | 106 | 109 Ų | 109 | 57% | 0.567 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -54.8 | -35.5 | -174.5 | -72.1 | 17.2 | 0 | 0 | 0 | 113.4 | V733 F734 D735 | N731-V733 PolarHBondContact O-N 3.4Å; N731-F734 PolarHBondContact O-N 3.18Å; N731-F734 VanDerWaalsContact O-N 3.09Å; N731-D735 VanDerWaalsContact O-CB 3.28Å; N731-D735 WeakPolarHBondContact O-CB 3.49Å; N731-D735 PolarHBondContact O-N 3.25Å; N731-D735 VanDerWaalsContact O-OD2 3.11Å |
| 732 | A | 33.6 | Very low | 42.2 | Very low | 80 Ų | 80 | 101.3 Ų | 101.3 | 66% | 0.661 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -20.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H730 | H730-A732 PolarHBondContact O-N 3.31Å; H730-A732 VanDerWaalsContact O-N 3.12Å |
| 733 | V | 33.5 | Very low | 45.3 | Very low | 79 Ų | 79 | 93.3 Ų | 93.3 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -100.5 | -33.8 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 111 | H730 N731 Q736 L737 | H730-V733 PolarHBondContact O-N 3.31Å; N731-V733 PolarHBondContact O-N 3.4Å; V733-Q736 PolarHBondContact O-N 3Å; V733-L737 HydrophobicContact CG1-CD1 4.22Å; V733-L737 WeakPolarHBondContact O-CG 3.36Å; V733-L737 PolarHBondContact O-N 2.94Å |
| 734 | F | 31.8 | Very low | 48.3 | Very low | 51 Ų | 51 | 88.7 Ų | 88.7 | 22% | 0.224 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -75.9 | -30 | 178.2 | -71.8 | -68.2 | 0 | 0 | 0 | 113.8 | A697 H730 N731 Q736 L737 L739 | A697-F734 HydrophobicContact CB-CE1 4.07Å; A697-F734 HydrophobicContact CB-CZ 4.35Å; H730-F734 HydrophobicContact CB-CD2 4.01Å; H730-F734 HydrophobicContact CB-CE2 3.97Å; H730-F734 VanDerWaalsContact O-CD2 3.31Å; H730-F734 WeakPolarHBondContact O-CD2 3.48Å; H730-F734 PolarHBondContact O-N 3.1Å; N731-F734 PolarHBondContact O-N 3.18Å; N731-F734 VanDerWaalsContact O-N 3.09Å; F734-Q736 PolarHBondContact O-N 3.4Å; F734-L737 HydrophobicContact CD1-CD1 3.78Å; F734-L737 HydrophobicContact CE1-CD1 3.97Å; F734-L737 CarbonylContact O-C 3.52Å; F734-L737 PolarHBondContact O-N 2.92Å; F734-L739 HydrophobicContact CD1-CD1 4.27Å |
| 735 | D | 39.6 | Very low | 51.5 | Low | 117 Ų | 117 | 81.5 Ų | 81.5 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.2 | 172.2 | -63.1 | -24.2 | 0 | 0 | 0 | 111.9 | N731 | N731-D735 VanDerWaalsContact O-CB 3.28Å; N731-D735 WeakPolarHBondContact O-CB 3.49Å; N731-D735 PolarHBondContact O-N 3.25Å; N731-D735 VanDerWaalsContact O-OD2 3.11Å |
| 736 | Q | 39.9 | Very low | 54.6 | Low | 165 Ų | 165 | 77.7 Ų | 77.7 | 77% | 0.771 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -19.1 | 172.1 | -60.4 | -173 | -1.9 | 0 | 0 | 113.4 | V733 F734 | V733-Q736 PolarHBondContact O-N 3Å; F734-Q736 PolarHBondContact O-N 3.4Å |
| 737 | L | 46.3 | Very low | 57.8 | Low | 49 Ų | 49 | 79 Ų | 79 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -92.6 | 101 | 177.2 | -71.4 | 166.9 | 0 | 0 | 0 | 109.3 | A700 V733 F734 L739 | A700-L737 HydrophobicContact CB-CD1 4.49Å; A700-L737 HydrophobicContact CB-CD2 4.35Å; V733-L737 HydrophobicContact CG1-CD1 4.22Å; V733-L737 WeakPolarHBondContact O-CG 3.36Å; V733-L737 PolarHBondContact O-N 2.94Å; F734-L737 HydrophobicContact CD1-CD1 3.78Å; F734-L737 HydrophobicContact CE1-CD1 3.97Å; F734-L737 CarbonylContact O-C 3.52Å; F734-L737 PolarHBondContact O-N 2.92Å; L737-L739 PolarHBondContact O-N 3.34Å |
| 738 | D | 56.3 | Low | 60.7 | Low | 69 Ų | 69 | 73.1 Ų | 73.1 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | trans | -58.1 | 105 | 163.4 | -115.9 | -55.3 | 0 | 0 | 0 | 108.2 | V740 K857 Y912 | D738-V740 HydrophobicContact CB-CG2 4.31Å; D738-V740 WeakPolarHBondContact O-CG2 3.48Å; D738-V740 PolarHBondContact O-N 2.92Å; D738-K857 WeakPolarHBondContact OD2-CE 3.35Å; D738-K857 IonicContact OD2-NZ 3.22Å; D738-K857 PolarHBondContact OD2-NZ 2.94Å; D738-Y912 PolarHBondContact OD1-OH 3.32Å; D738-Y912 PolarHBondContact OD2-OH 3.48Å | ||
| 739 | L | 64.9 | Low | 63.3 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | trans | -83.3 | 86.4 | -176.5 | -76.8 | 175 | 0 | 0 | 0 | 109.8 | E693 V696 F734 L737 T741 | E693-L739 HydrophobicContact CB-CD2 4.49Å; E693-L739 HydrophobicContact CG-CB 4.29Å; E693-L739 HydrophobicContact CG-CD1 4.2Å; E693-L739 HydrophobicContact CG-CD2 4.41Å; V696-L739 HydrophobicContact CB-CD2 4.28Å; V696-L739 HydrophobicContact CG1-CD2 4.04Å; F734-L739 HydrophobicContact CD1-CD1 4.27Å; L737-L739 PolarHBondContact O-N 3.34Å; L739-T741 PolarHBondContact O-N 2.99Å | ||
| 740 | V | 77.8 | Confident | 65.9 | Low | 30 Ų | 30 | 68.2 Ų | 68.2 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | trans | -78.9 | 102.6 | -171.4 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | Q634 F635 D738 H911 | Q634-V740 VanDerWaalsContact C-CG1 3.48Å; Q634-V740 HydrophobicContact CB-CG1 3.29Å; Q634-V740 WeakPolarHBondContact O-CG1 3.34Å; F635-V740 WeakPolarHBondContact CD1-O 3.19Å; D738-V740 HydrophobicContact CB-CG2 4.31Å; D738-V740 WeakPolarHBondContact O-CG2 3.48Å; D738-V740 PolarHBondContact O-N 2.92Å; V740-H911 HydrophobicContact CG1-CB 4.06Å | ||
| 741 | T | 88.3 | Confident | 68.8 | Low | 22 Ų | 22 | 63.9 Ų | 63.9 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | trans | -118.1 | -99 | 179.1 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | Q634 F635 P689 Q692 E693 L739 | Q634-T741 WeakPolarHBondContact CB-O 3.05Å; Q634-T741 PolarHBondContact N-O 2.87Å; F635-T741 WeakPolarHBondContact CD1-O 3.49Å; F635-T741 VanDerWaalsContact CE1-O 3.24Å; F635-T741 WeakPolarHBondContact CE1-O 3.43Å; P689-T741 HydrophobicContact CB-CG2 4.3Å; Q692-T741 HydrophobicContact CB-CG2 4.07Å; Q692-T741 HydrophobicContact CG-CG2 3.94Å; E693-T741 HydrophobicContact CG-CG2 3.76Å; L739-T741 PolarHBondContact O-N 2.99Å | ||
| 742 | Y | 91.9 | Very high | 71.4 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 11% | 0.114 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.5 | -174.8 | -63.2 | -77.2 | 0 | 0 | 0 | 110.4 | V631 R632 A633 F635 F654 I660 I686 P687 P689 | V631-Y742 HydrophobicContact CB-CD1 4.43Å; V631-Y742 HydrophobicContact CG2-CD1 3.73Å; V631-Y742 HydrophobicContact CG2-CE1 4.43Å; V631-Y742 HydrophobicContact CG2-CG 4.17Å; R632-Y742 WeakPolarHBondContact O-CA 3.25Å; A633-Y742 HydrophobicContact CB-CD1 4.49Å; A633-Y742 HydrophobicContact CB-CE1 4.41Å; F635-Y742 HydrophobicContact CE1-CD1 4.38Å; F635-Y742 HydrophobicContact CE1-CD2 4.32Å; F635-Y742 AromaticContact CE1-CE1 3.94Å; F635-Y742 HydrophobicContact CE1-CE1 3.94Å; F635-Y742 AromaticContact CE1-CE2 3.89Å; F635-Y742 HydrophobicContact CE1-CE2 3.89Å; F635-Y742 AromaticContact CE1-CZ 3.7Å; F635-Y742 HydrophobicContact CZ-CE1 4.22Å; F635-Y742 HydrophobicContact CZ-CE2 4.06Å; F635-Y742 AromaticContact CZ-CZ 3.68Å; F635-Y742 WeakPolarHBondContact CZ-OH 3.36Å; F654-Y742 HydrophobicContact CE2-CE1 4.24Å; F654-Y742 AromaticContact CZ-CE1 3.87Å; F654-Y742 HydrophobicContact CZ-CE1 3.87Å; F654-Y742 AromaticContact CZ-CZ 3.93Å; F654-Y742 WeakPolarHBondContact CZ-OH 3.38Å; I660-Y742 HydrophobicContact CD1-CE1 4.02Å; I686-Y742 HydrophobicContact CD1-CE1 4.47Å; P687-Y742 VanDerWaalsContact O-CE2 3.31Å; P687-Y742 WeakPolarHBondContact O-CE2 3.46Å; P687-Y742 PolarHBondContact O-OH 3.25Å; P689-Y742 HydrophobicContact CG-CD2 4.17Å |
| 743 | E | 91.4 | Very high | 74.2 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.8 | 174.3 | 178 | 177 | -116 | 0 | 0 | 108.9 | V631 R632 Q634 V745 R860 P944 | V631-E743 CarbonylContact C-O 3.58Å; V631-E743 VanDerWaalsContact CA-O 3.26Å; V631-E743 WeakPolarHBondContact CA-O 3.33Å; R632-E743 HydrophobicContact CB-CB 4.4Å; R632-E743 IonicContact CZ-OE2 2.7Å; R632-E743 PolarHBondContact N-O 3.35Å; R632-E743 IonicContact NH1-OE2 3.8Å; R632-E743 PolarHBondContact NH1-OE2 3.24Å; R632-E743 PolarHBondContact O-N 3.02Å; Q634-E743 HydrophobicContact CG-CB 4.09Å; Q634-E743 VanDerWaalsContact NE2-CB 3.26Å; Q634-E743 PolarHBondContact NE2-OE2 3.29Å; Q634-E743 VanDerWaalsContact NE2-OE2 3.14Å; E743-V745 HydrophobicContact CG-CG1 4.24Å; E743-V745 PolarHBondContact O-N 2.82Å; E743-R860 IonicContact OE1-CZ 2.69Å; E743-R860 IonicContact OE1-NH2 2.63Å; E743-R860 PolarHBondContact OE1-NH2 2.75Å; E743-R860 IonicContact OE2-NH2 2.62Å; E743-R860 PolarHBondContact OE2-NH2 3.42Å; E743-P944 HydrophobicContact CG-CB 4.2Å; E743-P944 HydrophobicContact CG-CG 4.27Å; E743-P944 WeakPolarHBondContact OE1-CG 3.44Å |
| 744 | E | 92.9 | Very high | 77.1 | Confident | 95 Ų | 95 | 61 Ų | 61 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 130.3 | 176.4 | -159.8 | 179.6 | 167.4 | 0 | 0 | 110.4 | I629 Y630 V631 P944 V945 | I629-E744 HydrophobicContact CG2-CG 4.27Å; Y630-E744 WeakPolarHBondContact O-CG 3.36Å; V631-E744 HydrophobicContact CG1-CG 4.49Å; E744-P944 CarbonylContact O-C 3.59Å; E744-P944 WeakPolarHBondContact O-CA 3.4Å; E744-V945 HydrophobicContact CB-CB 4.4Å; E744-V945 HydrophobicContact CB-CG2 4.18Å; E744-V945 HydrophobicContact CG-CB 4.47Å; E744-V945 HydrophobicContact CG-CG2 3.83Å; E744-V945 PolarHBondContact O-N 3.32Å |
| 745 | V | 93.5 | Very high | 80.1 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.4 | -171 | -69.1 | 0 | 0 | 0 | 0 | 113.1 | Y630 R632 I659 E743 W942 V943 | Y630-V745 PolarHBondContact O-N 3.37Å; R632-V745 HydrophobicContact CB-CG1 3.89Å; R632-V745 HydrophobicContact CB-CG2 4.32Å; I659-V745 HydrophobicContact CD1-CG2 4.26Å; I659-V745 HydrophobicContact CG2-CG2 4.46Å; E743-V745 HydrophobicContact CG-CG1 4.24Å; E743-V745 PolarHBondContact O-N 2.82Å; V745-W942 HydrophobicContact CB-CE3 4.1Å; V745-W942 HydrophobicContact CG2-CD2 4.41Å; V745-W942 HydrophobicContact CG2-CE3 3.7Å; V745-W942 HydrophobicContact CG2-CZ3 4.24Å; V745-V943 CarbonylContact C-O 3.56Å; V745-V943 WeakPolarHBondContact CA-O 3.04Å; V745-V943 WeakPolarHBondContact CB-O 3.22Å |
| 746 | V | 92.9 | Very high | 82.9 | Confident | 29 Ų | 29 | 53 Ų | 53 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142 | 173.5 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | L748 W942 V943 V945 V948 Y949 | V746-L748 HydrophobicContact CG1-CD2 4.43Å; V746-L748 HydrophobicContact CG1-CG 4.43Å; V746-L748 HydrophobicContact CG2-CD2 4.49Å; V746-W942 WeakPolarHBondContact O-CA 3.27Å; V746-V943 HydrophobicContact CG1-CG2 3.87Å; V746-V943 PolarHBondContact N-O 3.17Å; V746-V943 PolarHBondContact O-N 2.66Å; V746-V945 HydrophobicContact CB-CG2 4.26Å; V746-V945 HydrophobicContact CG1-CG2 4.5Å; V746-V948 HydrophobicContact CG1-CB 4.28Å; V746-V948 HydrophobicContact CG1-CG2 3.8Å; V746-Y949 HydrophobicContact CG1-CE2 4.36Å |
| 747 | K | 92.1 | Very high | 85.6 | Confident | 95 Ų | 95 | 45.1 Ų | 45.1 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 109.8 | 176.4 | -153.2 | 174.9 | -157.7 | 166.3 | 0 | 109.8 | E676 Q941 W942 | E676-K747 IonicContact OE1-NZ 3.6Å; E676-K747 PolarHBondContact OE1-NZ 2.88Å; E676-K747 IonicContact OE2-NZ 2.63Å; K747-Q941 CarbonylContact C-O 3.43Å; K747-Q941 WeakPolarHBondContact CA-O 3.26Å; K747-W942 HydrophobicContact CB-CD2 3.88Å; K747-W942 HydrophobicContact CB-CE3 3.74Å; K747-W942 HydrophobicContact CB-CH2 3.82Å; K747-W942 HydrophobicContact CB-CZ2 3.95Å; K747-W942 HydrophobicContact CB-CZ3 3.72Å; K747-W942 HydrophobicContact CD-CD2 4.31Å; K747-W942 HydrophobicContact CD-CH2 4.35Å; K747-W942 HydrophobicContact CD-CZ2 3.68Å; K747-W942 HydrophobicContact CG-CD2 3.95Å; K747-W942 HydrophobicContact CG-CE3 4.33Å; K747-W942 HydrophobicContact CG-CG 4.38Å; K747-W942 HydrophobicContact CG-CH2 4.49Å; K747-W942 HydrophobicContact CG-CZ2 4.12Å |
| 748 | L | 89.2 | Confident | 87.9 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.7 | 173.5 | -64 | -175.1 | 0 | 0 | 0 | 110.5 | V746 A750 F751 S940 Q941 V943 V948 | V746-L748 HydrophobicContact CG1-CD2 4.43Å; V746-L748 HydrophobicContact CG1-CG 4.43Å; V746-L748 HydrophobicContact CG2-CD2 4.49Å; L748-A750 VanDerWaalsContact C-N 3.28Å; L748-A750 PolarHBondContact O-N 3.25Å; L748-F751 HydrophobicContact CD1-CB 4.21Å; L748-F751 HydrophobicContact CD1-CD2 3.67Å; L748-F751 HydrophobicContact CD1-CE2 4.48Å; L748-F751 HydrophobicContact CD1-CG 4.31Å; L748-S940 CarbonylContact O-C 3.48Å; L748-S940 WeakPolarHBondContact O-CA 3.43Å; L748-S940 WeakPolarHBondContact O-CB 3.46Å; L748-Q941 PolarHBondContact N-O 3.33Å; L748-Q941 PolarHBondContact O-N 2.93Å; L748-V943 HydrophobicContact CD1-CG2 3.69Å; L748-V943 HydrophobicContact CG-CG2 3.89Å; L748-V948 HydrophobicContact CD1-CG2 3.86Å |
| 749 | P | 85.3 | Confident | 89.8 | Confident | 101 Ų | 101 | 39.6 Ų | 39.6 | 66% | 0.656 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -67.2 | -29.5 | 179.7 | 26.9 | -34.1 | 0 | 0 | 0 | 113.1 | S939 S940 | P749-S939 CarbonylContact O-C 3.55Å; P749-S940 WeakPolarHBondContact O-CA 3.36Å; P749-S940 PolarHBondContact O-N 3.24Å; P749-S940 PolarHBondContact O-OG 2.89Å |
| 750 | A | 82.9 | Confident | 91.1 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 46% | 0.455 | 19% | 0.193 | S | C | . | . | trans | -153.9 | 149.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L748 | L748-A750 VanDerWaalsContact C-N 3.28Å; L748-A750 PolarHBondContact O-N 3.25Å | ||
| 751 | F | 88.1 | Confident | 91.7 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | trans | -151.2 | 123.2 | 176.7 | 179.1 | -98.5 | 0 | 0 | 0 | 110.8 | L748 R753 A865 Q941 V943 W947 | L748-F751 HydrophobicContact CD1-CB 4.21Å; L748-F751 HydrophobicContact CD1-CD2 3.67Å; L748-F751 HydrophobicContact CD1-CE2 4.48Å; L748-F751 HydrophobicContact CD1-CG 4.31Å; F751-R753 PolarHBondContact O-N 2.99Å; F751-A865 HydrophobicContact CE1-CB 3.9Å; F751-A865 HydrophobicContact CZ-CB 3.96Å; F751-Q941 PolarHBondContact O-NE2 3.14Å; F751-V943 HydrophobicContact CB-CG1 4.1Å; F751-V943 HydrophobicContact CD1-CG1 3.65Å; F751-V943 HydrophobicContact CD2-CG1 4.33Å; F751-V943 HydrophobicContact CE1-CG1 4.08Å; F751-V943 HydrophobicContact CG-CG1 3.79Å; F751-W947 AromaticContact CE1-CE3 3.73Å; F751-W947 HydrophobicContact CE1-CE3 3.73Å; F751-W947 HydrophobicContact CE1-CZ3 4.05Å; F751-W947 HydrophobicContact CZ-CB 4.4Å; F751-W947 AromaticContact CZ-CE3 3.74Å; F751-W947 HydrophobicContact CZ-CE3 3.74Å; F751-W947 HydrophobicContact CZ-CZ3 4.48Å | ||
| 752 | K | 88.1 | Confident | 91.6 | Very high | 122 Ų | 122 | 41.9 Ų | 41.9 | 53% | 0.53 | 21% | 0.212 | S | C | . | . | trans | -80.5 | 110.8 | -178.2 | -173.8 | 178.5 | 178.3 | -175.6 | 0 | 110.5 | G844 | K752-G844 PolarHBondContact NZ-O 3.21Š| ||
| 753 | R | 91.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | trans | -70.2 | 139.4 | 165.4 | -59.7 | -71.1 | -179.4 | 120.9 | 13.5 | 108.9 | F751 A865 P866 Y867 D914 V936 | F751-R753 PolarHBondContact O-N 2.99Å; R753-A865 WeakPolarHBondContact CA-O 3.27Å; R753-A865 WeakPolarHBondContact CB-O 3.43Å; R753-A865 VanDerWaalsContact CD-O 3.27Å; R753-A865 WeakPolarHBondContact CD-O 3.45Å; R753-P866 PolarHBondContact NH1-O 3.27Å; R753-Y867 HydrophobicContact CG-CD2 4.48Å; R753-D914 IonicContact CZ-OD1 2.71Å; R753-D914 VanDerWaalsContact CZ-OD1 3.27Å; R753-D914 VanDerWaalsContact NH1-CG 3.32Å; R753-D914 IonicContact NH1-OD1 2.64Å; R753-D914 PolarHBondContact NH1-OD1 3.25Å; R753-D914 IonicContact NH1-OD2 3.37Å; R753-D914 PolarHBondContact NH1-OD2 3.41Å; R753-D914 VanDerWaalsContact NH1-OD2 3.09Å; R753-D914 IonicContact NH2-OD1 2.74Å; R753-D914 PolarHBondContact NH2-OD1 3.5Å; R753-V936 HydrophobicContact CG-CG1 3.65Å | ||
| 754 | K | 93.9 | Very high | 91.1 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | trans | -109 | -25.9 | -176.3 | -52.2 | 157.6 | 177.5 | 166 | 0 | 112.6 | H841 V846 A847 A862 E863 F864 A865 | K754-H841 PolarHBondContact O-CD2 3.17Å; K754-H841 PolarHBondContact O-NE2 3.28Å; K754-H841 VanDerWaalsContact O-NE2 3.12Å; K754-V846 CarbonylContact O-C 3.57Å; K754-V846 VanDerWaalsContact O-CA 3.23Å; K754-V846 WeakPolarHBondContact O-CA 3.35Å; K754-A847 PolarHBondContact O-N 3.34Å; K754-A862 PolarHBondContact NZ-O 3.16Å; K754-E863 WeakPolarHBondContact CD-O 3.45Å; K754-E863 PolarHBondContact NZ-O 2.92Å; K754-F864 WeakPolarHBondContact CB-O 3.44Å; K754-A865 HydrophobicContact CD-CB 4.27Å; K754-A865 HydrophobicContact CG-CB 4.39Å; K754-A865 PolarHBondContact N-O 3.36Å | ||
| 755 | T | 96.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.1 | 177.2 | -56 | 0 | 0 | 0 | 0 | 110.6 | V757 H841 A847 L849 F864 P866 Y867 | T755-V757 HydrophobicContact CG2-CG2 3.78Å; T755-H841 PolarHBondContact OG1-CE1 3.18Å; T755-H841 PolarHBondContact OG1-NE2 2.94Å; T755-A847 CarbonylContact C-O 3.59Å; T755-A847 VanDerWaalsContact CA-O 3.29Å; T755-A847 WeakPolarHBondContact CA-O 3.09Å; T755-A847 HydrophobicContact CG2-CB 4.49Å; T755-A847 WeakPolarHBondContact CG2-O 3.37Å; T755-L849 HydrophobicContact CG2-CB 4.31Å; T755-L849 HydrophobicContact CG2-CD1 3.38Å; T755-L849 HydrophobicContact CG2-CG 3.55Å; T755-F864 PolarHBondContact N-O 2.89Å; T755-F864 PolarHBondContact OG1-O 3.4Å; T755-P866 CarbonylContact O-C 3.51Å; T755-P866 WeakPolarHBondContact O-CA 3.3Å; T755-Y867 PolarHBondContact O-N 2.96Å |
| 756 | L | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.2 | 165.5 | 170.1 | 61.5 | 0 | 0 | 0 | 107.9 | L758 L773 F781 V846 A847 I848 L849 Y867 V869 M933 | L756-L758 HydrophobicContact CD1-CD2 4.2Å; L756-L758 HydrophobicContact CD2-CD2 4.4Å; L756-L758 HydrophobicContact CG-CD2 4.19Å; L756-L773 HydrophobicContact CD2-CD1 4.2Å; L756-F781 HydrophobicContact CD2-CE1 4.43Å; L756-V846 HydrophobicContact CB-CG1 4.01Å; L756-A847 PolarHBondContact N-O 2.83Å; L756-I848 HydrophobicContact CB-CG1 4.43Å; L756-I848 HydrophobicContact CD2-CD1 4.28Å; L756-I848 HydrophobicContact CD2-CG1 4.25Å; L756-I848 CarbonylContact O-C 3.6Å; L756-I848 WeakPolarHBondContact O-CA 3.38Å; L756-L849 PolarHBondContact O-N 2.85Å; L756-Y867 HydrophobicContact CD1-CD1 4.01Å; L756-V869 HydrophobicContact CD1-CG2 3.89Å; L756-M933 HydrophobicContact CB-SD 4.46Å; L756-M933 HydrophobicContact CD1-SD 4.05Å |
| 757 | V | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.7 | 180 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | T755 L759 L849 V851 L856 L859 P866 Y867 V868 V869 | T755-V757 HydrophobicContact CG2-CG2 3.78Å; V757-L759 HydrophobicContact CG1-CD2 4.07Å; V757-L759 HydrophobicContact CG1-CG 4.16Å; V757-L849 HydrophobicContact CG2-CB 4.41Å; V757-L849 HydrophobicContact CG2-CD1 4.5Å; V757-V851 HydrophobicContact CG1-CG2 3.74Å; V757-L856 HydrophobicContact CG1-CD2 4.14Å; V757-L856 HydrophobicContact CG2-CD2 4.43Å; V757-L859 HydrophobicContact CG2-CD1 4.04Å; V757-P866 HydrophobicContact CG2-CB 3.73Å; V757-Y867 PolarHBondContact N-O 2.86Å; V757-V868 HydrophobicContact CB-CG2 4.33Å; V757-V869 PolarHBondContact O-N 2.95Å |
| 758 | L | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.7 | 176.1 | -58.7 | -179.4 | 0 | 0 | 0 | 109.8 | L756 R766 I769 K770 I848 L849 V869 L929 | L756-L758 HydrophobicContact CD1-CD2 4.2Å; L756-L758 HydrophobicContact CD2-CD2 4.4Å; L756-L758 HydrophobicContact CG-CD2 4.19Å; L758-R766 HydrophobicContact CB-CG 4.44Å; L758-R766 WeakPolarHBondContact O-CD 3.49Å; L758-I769 HydrophobicContact CD1-CG2 4.12Å; L758-K770 HydrophobicContact CD1-CB 4.25Å; L758-I848 HydrophobicContact CD1-CG2 4.03Å; L758-I848 HydrophobicContact CG-CG2 4.3Å; L758-L849 PolarHBondContact N-O 3.48Å; L758-V869 HydrophobicContact CD2-CB 4.44Å; L758-L929 HydrophobicContact CD2-CD1 4.28Å; L758-L929 HydrophobicContact CD2-CD2 4.26Å |
| 759 | L | 94.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 154.8 | 172.5 | -62.3 | -175.4 | 0 | 0 | 0 | 110.5 | V757 V851 P853 L856 V868 V869 F870 I871 F913 | V757-L759 HydrophobicContact CG1-CD2 4.07Å; V757-L759 HydrophobicContact CG1-CG 4.16Å; L759-V851 HydrophobicContact CD2-CG2 4.3Å; L759-V851 VanDerWaalsContact CD2-O 3.26Å; L759-V851 WeakPolarHBondContact CD2-O 3.38Å; L759-P853 HydrophobicContact CD1-CB 4.25Å; L759-P853 HydrophobicContact CD1-CG 4.28Å; L759-P853 HydrophobicContact CD2-CG 4.33Å; L759-L856 HydrophobicContact CD1-CD1 3.7Å; L759-L856 HydrophobicContact CD1-CG 4.47Å; L759-V868 HydrophobicContact CD1-CG1 3.81Å; L759-V868 HydrophobicContact CG-CG1 4.24Å; L759-V869 PolarHBondContact N-O 2.76Å; L759-F870 HydrophobicContact CB-CD2 4.04Å; L759-F870 CarbonylContact O-C 3.46Å; L759-F870 WeakPolarHBondContact O-CA 3.17Å; L759-I871 PolarHBondContact O-N 2.68Å; L759-F913 HydrophobicContact CD1-CD1 4.26Å; L759-F913 HydrophobicContact CD1-CE1 3.79Å |
| 760 | G | 92.8 | Very high | 91 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | 155.5 | 160.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R766 I871 | G760-R766 VanDerWaalsContact O-CZ 3.26Å; G760-R766 PolarHBondContact O-NE 3.32Å; G760-R766 PolarHBondContact O-NH2 3.46Å; G760-I871 WeakPolarHBondContact CA-O 3.39Å | ||
| 761 | A | 90.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -58.7 | 152.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G763 V764 L898 E901 L905 | A761-G763 PolarHBondContact O-N 3.07Å; A761-V764 WeakPolarHBondContact O-CB 3.43Å; A761-V764 VanDerWaalsContact O-CG1 3.25Å; A761-V764 WeakPolarHBondContact O-CG1 3.34Å; A761-V764 PolarHBondContact O-N 2.96Å; A761-V764 VanDerWaalsContact O-N 3.11Å; A761-L898 HydrophobicContact CB-CD1 3.77Å; A761-E901 VanDerWaalsContact CA-OE1 3.25Å; A761-E901 WeakPolarHBondContact CA-OE1 3.33Å; A761-E901 HydrophobicContact CB-CB 3.86Å; A761-E901 HydrophobicContact CB-CG 3.83Å; A761-L905 HydrophobicContact CB-CD1 4.34Å | ||
| 762 | H | 86.6 | Confident | 91.7 | Very high | 153 Ų | 153 | 42.3 Ų | 42.3 | 71% | 0.708 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 122.8 | 177.8 | -174.6 | -84.6 | 0 | 0 | 0 | 110.8 | L898 E901 | H762-L898 VanDerWaalsContact O-CD1 3.31Å; H762-L898 WeakPolarHBondContact O-CD1 3.16Å; H762-E901 PolarHBondContact N-OE1 3.15Å |
| 763 | G | 84 | Confident | 91.9 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 49% | 0.485 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -3.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A761 G765 | A761-G763 PolarHBondContact O-N 3.07Å; G763-G765 PolarHBondContact O-N 3.32Å |
| 764 | V | 88.3 | Confident | 92 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -70.8 | 7 | 179.2 | 83.1 | 0 | 0 | 0 | 0 | 115 | A761 R766 I871 L898 N919 | A761-V764 WeakPolarHBondContact O-CB 3.43Å; A761-V764 VanDerWaalsContact O-CG1 3.25Å; A761-V764 WeakPolarHBondContact O-CG1 3.34Å; A761-V764 PolarHBondContact O-N 2.96Å; A761-V764 VanDerWaalsContact O-N 3.11Å; V764-R766 HydrophobicContact CG1-CG 3.84Å; V764-I871 HydrophobicContact CG1-CB 4.09Å; V764-I871 HydrophobicContact CG1-CG2 3.94Å; V764-I871 HydrophobicContact CG2-CG2 4.11Å; V764-L898 HydrophobicContact CB-CD1 3.99Å; V764-L898 HydrophobicContact CG2-CD1 4.48Å; V764-N919 PolarHBondContact O-ND2 3.41Å |
| 765 | G | 88.4 | Confident | 92 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 91.6 | 1.7 | 176 | 0 | 0 | 0 | 0 | 0 | 116.6 | G763 R767 H768 I769 | G763-G765 PolarHBondContact O-N 3.32Å; G765-R767 VanDerWaalsContact C-N 3.31Å; G765-R767 PolarHBondContact O-N 3.12Å; G765-R767 VanDerWaalsContact O-N 3.17Å; G765-H768 WeakPolarHBondContact O-CB 3.35Å; G765-H768 PolarHBondContact O-N 3.49Å; G765-I769 PolarHBondContact O-N 3.3Å; G765-I769 VanDerWaalsContact O-N 3.09Å |
| 766 | R | 91.9 | Very high | 91.9 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -44.8 | -49.6 | -180 | -69.1 | -172.1 | -84.4 | 135.9 | -19.7 | 114 | L758 G760 V764 H768 I769 K770 D850 I871 | L758-R766 HydrophobicContact CB-CG 4.44Å; L758-R766 WeakPolarHBondContact O-CD 3.49Å; G760-R766 VanDerWaalsContact O-CZ 3.26Å; G760-R766 PolarHBondContact O-NE 3.32Å; G760-R766 PolarHBondContact O-NH2 3.46Å; V764-R766 HydrophobicContact CG1-CG 3.84Å; R766-H768 VanDerWaalsContact C-N 3.3Å; R766-H768 PolarHBondContact O-N 2.91Å; R766-I769 PolarHBondContact O-N 3.11Å; R766-K770 WeakPolarHBondContact O-CB 3.16Å; R766-K770 PolarHBondContact O-N 3.37Å; R766-D850 WeakPolarHBondContact CB-OD1 3.48Å; R766-D850 WeakPolarHBondContact CD-OD1 3.41Å; R766-D850 IonicContact CZ-OD1 2.7Å; R766-D850 IonicContact NE-OD1 3.14Å; R766-D850 PolarHBondContact NH1-O 3.01Å; R766-D850 IonicContact NH1-OD1 2.6Å; R766-D850 PolarHBondContact NH1-OD1 3.43Å; R766-I871 HydrophobicContact CG-CG1 4.48Å |
| 767 | R | 88.2 | Confident | 91.7 | Very high | 186 Ų | 186 | 47.5 Ų | 47.5 | 70% | 0.702 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58.8 | -37.6 | 179.2 | -175.1 | 176.5 | -175.7 | 164.5 | 3 | 113.2 | G765 N771 | G765-R767 VanDerWaalsContact C-N 3.31Å; G765-R767 PolarHBondContact O-N 3.12Å; G765-R767 VanDerWaalsContact O-N 3.17Å; R767-N771 WeakPolarHBondContact O-CB 3.3Å; R767-N771 PolarHBondContact O-N 3.25Å; R767-N771 VanDerWaalsContact O-N 3.14Å; R767-N771 PolarHBondContact O-OD1 2.8Å |
| 768 | H | 89.3 | Confident | 91.6 | Very high | 99 Ų | 99 | 51.8 Ų | 51.8 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.8 | -49.4 | 177.9 | -175.5 | 99.9 | 0 | 0 | 0 | 110.5 | G765 R766 K770 N771 T772 | G765-H768 WeakPolarHBondContact O-CB 3.35Å; G765-H768 PolarHBondContact O-N 3.49Å; R766-H768 VanDerWaalsContact C-N 3.3Å; R766-H768 PolarHBondContact O-N 2.91Å; H768-K770 VanDerWaalsContact C-N 3.31Å; H768-K770 PolarHBondContact O-N 3.06Å; H768-N771 PolarHBondContact O-N 3.37Å; H768-N771 VanDerWaalsContact O-N 3.16Å; H768-T772 PolarHBondContact NE2-OG1 3.23Å; H768-T772 PolarHBondContact O-N 2.92Å; H768-T772 PolarHBondContact O-OG1 2.92Å; H768-T772 VanDerWaalsContact O-OG1 3.12Å |
| 769 | I | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51.6 | -50.6 | 176.1 | -67 | 164.3 | 0 | 0 | 0 | 110.6 | L758 G765 R766 T772 L773 I871 I922 T925 I926 L929 | L758-I769 HydrophobicContact CD1-CG2 4.12Å; G765-I769 PolarHBondContact O-N 3.3Å; G765-I769 VanDerWaalsContact O-N 3.09Å; R766-I769 PolarHBondContact O-N 3.11Å; I769-T772 PolarHBondContact O-N 3.26Å; I769-L773 HydrophobicContact CG2-CD1 4.06Å; I769-L773 WeakPolarHBondContact O-CG 3.35Å; I769-L773 PolarHBondContact O-N 2.78Å; I769-I871 HydrophobicContact CD1-CG2 4.19Å; I769-I922 HydrophobicContact CG1-CG2 4.25Å; I769-T925 HydrophobicContact CD1-CG2 3.73Å; I769-I926 HydrophobicContact CB-CG1 4.42Å; I769-I926 HydrophobicContact CG1-CG1 4.29Å; I769-I926 HydrophobicContact CG2-CG1 4.09Å; I769-L929 HydrophobicContact CG2-CD1 3.41Å; I769-L929 VanDerWaalsContact CG2-CD1 3.41Å |
| 770 | K | 93.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.4 | -54.3 | 175.5 | 173.4 | 176.4 | 80.2 | -170.2 | 0 | 112.7 | L758 R766 H768 T772 L773 I774 Y783 I848 D850 | L758-K770 HydrophobicContact CD1-CB 4.25Å; R766-K770 WeakPolarHBondContact O-CB 3.16Å; R766-K770 PolarHBondContact O-N 3.37Å; H768-K770 VanDerWaalsContact C-N 3.31Å; H768-K770 PolarHBondContact O-N 3.06Å; K770-T772 VanDerWaalsContact C-N 3.32Å; K770-T772 PolarHBondContact O-N 3.38Å; K770-L773 PolarHBondContact O-N 3.43Å; K770-I774 HydrophobicContact CG-CD1 3.76Å; K770-I774 WeakPolarHBondContact O-CD1 3.24Å; K770-I774 WeakPolarHBondContact O-CG1 3.37Å; K770-I774 PolarHBondContact O-N 3.3Å; K770-I774 VanDerWaalsContact O-N 3.13Å; K770-Y783 HydrophobicContact CD-CD2 3.56Å; K770-Y783 HydrophobicContact CD-CE2 3.67Å; K770-Y783 HydrophobicContact CD-CG 4.43Å; K770-Y783 HydrophobicContact CG-CD2 4.47Å; K770-I848 HydrophobicContact CB-CG2 4.3Å; K770-I848 HydrophobicContact CD-CG2 4.32Å; K770-I848 HydrophobicContact CG-CB 4.5Å; K770-I848 HydrophobicContact CG-CG2 3.91Å; K770-D850 HydrophobicContact CD-CB 3.85Å; K770-D850 WeakPolarHBondContact CE-OD2 3.2Å; K770-D850 IonicContact NZ-OD2 2.82Å; K770-D850 PolarHBondContact NZ-OD2 3.29Å |
| 771 | N | 91.6 | Very high | 91.5 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | -177 | -73.6 | 4.6 | 0 | 0 | 0 | 111 | R767 H768 I774 T775 | R767-N771 WeakPolarHBondContact O-CB 3.3Å; R767-N771 PolarHBondContact O-N 3.25Å; R767-N771 VanDerWaalsContact O-N 3.14Å; R767-N771 PolarHBondContact O-OD1 2.8Å; H768-N771 PolarHBondContact O-N 3.37Å; H768-N771 VanDerWaalsContact O-N 3.16Å; N771-I774 PolarHBondContact O-N 3.42Å; N771-T775 PolarHBondContact O-N 2.67Å; N771-T775 PolarHBondContact O-OG1 3.41Å; N771-T775 VanDerWaalsContact O-OG1 3.14Å |
| 772 | T | 93.3 | Very high | 91.7 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | H768 I769 K770 I774 T775 K776 I926 | H768-T772 PolarHBondContact NE2-OG1 3.23Å; H768-T772 PolarHBondContact O-N 2.92Å; H768-T772 PolarHBondContact O-OG1 2.92Å; H768-T772 VanDerWaalsContact O-OG1 3.12Å; I769-T772 PolarHBondContact O-N 3.26Å; K770-T772 VanDerWaalsContact C-N 3.32Å; K770-T772 PolarHBondContact O-N 3.38Å; T772-I774 PolarHBondContact O-N 3.44Å; T772-T775 PolarHBondContact O-N 3.49Å; T772-K776 WeakPolarHBondContact O-CB 3.44Å; T772-K776 PolarHBondContact O-N 2.97Å; T772-I926 HydrophobicContact CG2-CD1 3.75Å |
| 773 | L | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 175 | -75 | 169 | 0 | 0 | 0 | 112.5 | L756 I769 K770 H777 F781 I848 I926 L929 E930 | L756-L773 HydrophobicContact CD2-CD1 4.2Å; I769-L773 HydrophobicContact CG2-CD1 4.06Å; I769-L773 WeakPolarHBondContact O-CG 3.35Å; I769-L773 PolarHBondContact O-N 2.78Å; K770-L773 PolarHBondContact O-N 3.43Å; L773-H777 PolarHBondContact O-N 3.02Å; L773-F781 HydrophobicContact CB-CD2 4.33Å; L773-F781 HydrophobicContact CD2-CE2 4.29Å; L773-I848 HydrophobicContact CB-CD1 3.71Å; L773-I848 HydrophobicContact CD1-CD1 3.95Å; L773-I848 HydrophobicContact CG-CD1 4.49Å; L773-I926 HydrophobicContact CD2-CG2 4.01Å; L773-L929 HydrophobicContact CD1-CD1 4.36Å; L773-E930 HydrophobicContact CD2-CG 3.88Å |
| 774 | I | 93 | Very high | 92.6 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.205 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.1 | -41.7 | 179.6 | -62.8 | 159.7 | 0 | 0 | 0 | 111.3 | K770 N771 T772 P778 F781 I848 | K770-I774 HydrophobicContact CG-CD1 3.76Å; K770-I774 WeakPolarHBondContact O-CD1 3.24Å; K770-I774 WeakPolarHBondContact O-CG1 3.37Å; K770-I774 PolarHBondContact O-N 3.3Å; K770-I774 VanDerWaalsContact O-N 3.13Å; N771-I774 PolarHBondContact O-N 3.42Å; T772-I774 PolarHBondContact O-N 3.44Å; I774-P778 WeakPolarHBondContact O-CA 3.43Å; I774-F781 HydrophobicContact CG1-CB 4.37Å; I774-I848 HydrophobicContact CG1-CD1 4.13Å |
| 775 | T | 93.1 | Very high | 92.8 | Very high | 119 Ų | 119 | 57.8 Ų | 57.8 | 73% | 0.73 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.3 | -33.8 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | N771 T772 | N771-T775 PolarHBondContact O-N 2.67Å; N771-T775 PolarHBondContact O-OG1 3.41Å; N771-T775 VanDerWaalsContact O-OG1 3.14Å; T772-T775 PolarHBondContact O-N 3.49Å |
| 776 | K | 93.9 | Very high | 93 | Very high | 114 Ų | 114 | 58 Ų | 58 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -79 | -34.8 | -178.7 | -170.4 | -180 | 171.1 | -165 | 0 | 112.9 | T772 E930 | T772-K776 WeakPolarHBondContact O-CB 3.44Å; T772-K776 PolarHBondContact O-N 2.97Å; K776-E930 WeakPolarHBondContact CD-OE1 3.46Å; K776-E930 VanDerWaalsContact CE-OE1 3.25Å; K776-E930 WeakPolarHBondContact CE-OE1 3.38Å; K776-E930 IonicContact NZ-OE1 3.93Å; K776-E930 PolarHBondContact NZ-OE1 3.1Å; K776-E930 IonicContact NZ-OE2 3.17Å; K776-E930 PolarHBondContact NZ-OE2 3.46Å |
| 777 | H | 93.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | trans | -135 | 68.6 | 179.4 | -46.1 | -93.5 | 0 | 0 | 0 | 112.5 | L773 D779 R780 F781 E930 | L773-H777 PolarHBondContact O-N 3.02Å; H777-D779 PolarHBondContact O-N 3.43Å; H777-R780 HydrophobicContact CB-CB 3.86Å; H777-R780 HydrophobicContact CB-CG 4.05Å; H777-R780 PolarHBondContact O-N 3.41Å; H777-F781 HydrophobicContact CB-CD2 4.02Å; H777-F781 HydrophobicContact CB-CE2 4.38Å; H777-F781 PolarHBondContact O-N 2.92Å; H777-E930 IonicContact CD2-OE1 3.2Å; H777-E930 IonicContact CE1-OE1 2.64Å; H777-E930 IonicContact NE2-OE1 2.67Å; H777-E930 PolarHBondContact NE2-OE1 3.4Å | ||
| 778 | P | 93.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 48 Ų | 48 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.2 | -178.2 | 29.2 | -36.6 | 0 | 0 | 0 | 113.6 | I774 | I774-P778 WeakPolarHBondContact O-CA 3.43Š|
| 779 | D | 93.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 44.6 Ų | 44.6 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.2 | 173.4 | 66.8 | -51.5 | 0 | 0 | 0 | 113.5 | H777 L845 | H777-D779 PolarHBondContact O-N 3.43Å; D779-L845 VanDerWaalsContact C-CD2 3.4Å; D779-L845 WeakPolarHBondContact O-CD2 3.48Å |
| 780 | R | 92.8 | Very high | 93.8 | Very high | 75 Ų | 75 | 46.4 Ų | 46.4 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -39.2 | -179.5 | -63.9 | -179.2 | 52.6 | 165.6 | 3.2 | 113.2 | H777 V846 D934 | H777-R780 HydrophobicContact CB-CB 3.86Å; H777-R780 HydrophobicContact CB-CG 4.05Å; H777-R780 PolarHBondContact O-N 3.41Å; R780-V846 PolarHBondContact O-N 3.11Å; R780-D934 IonicContact CZ-OD1 2.66Å; R780-D934 IonicContact NH1-OD1 3.12Å; R780-D934 PolarHBondContact NH1-OD1 3.37Å; R780-D934 IonicContact NH1-OD2 3.94Å; R780-D934 IonicContact NH2-OD1 3.78Å; R780-D934 PolarHBondContact NH2-OD1 3.24Å |
| 781 | F | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.7 | -170.5 | -61.8 | -68.5 | 0 | 0 | 0 | 112.8 | L756 L773 I774 H777 V846 I848 | L756-F781 HydrophobicContact CD2-CE1 4.43Å; L773-F781 HydrophobicContact CB-CD2 4.33Å; L773-F781 HydrophobicContact CD2-CE2 4.29Å; I774-F781 HydrophobicContact CG1-CB 4.37Å; H777-F781 HydrophobicContact CB-CD2 4.02Å; H777-F781 HydrophobicContact CB-CE2 4.38Å; H777-F781 PolarHBondContact O-N 2.92Å; F781-V846 WeakPolarHBondContact CA-O 3.26Å; F781-V846 HydrophobicContact CD1-CB 3.76Å; F781-V846 HydrophobicContact CD1-CG1 3.94Å; F781-V846 HydrophobicContact CE1-CB 3.98Å; F781-V846 HydrophobicContact CE1-CG1 3.96Å; F781-I848 HydrophobicContact CB-CD1 3.74Å; F781-I848 HydrophobicContact CB-CG1 4.03Å; F781-I848 HydrophobicContact CD1-CD1 3.78Å; F781-I848 HydrophobicContact CD1-CG1 3.78Å; F781-I848 HydrophobicContact CG-CD1 3.77Å; F781-I848 HydrophobicContact CG-CG1 4.16Å |
| 782 | A | 96 | Very high | 93.7 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 160.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I840 L845 V846 A847 I848 | A782-I840 HydrophobicContact CB-CD1 4.02Å; A782-I840 HydrophobicContact CB-CG1 4.08Å; A782-I840 HydrophobicContact CB-CG2 3.91Å; A782-L845 HydrophobicContact CB-CD1 3.99Å; A782-V846 PolarHBondContact N-O 3.46Å; A782-A847 CarbonylContact O-C 3.57Å; A782-A847 WeakPolarHBondContact O-CA 3.44Å; A782-I848 PolarHBondContact O-N 2.83Å |
| 783 | Y | 94.3 | Very high | 93.7 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | trans | -110.8 | 135.2 | 175.4 | -176.8 | -107.1 | 0 | 0 | 0 | 110.2 | K770 I785 I848 D850 | K770-Y783 HydrophobicContact CD-CD2 3.56Å; K770-Y783 HydrophobicContact CD-CE2 3.67Å; K770-Y783 HydrophobicContact CD-CG 4.43Å; K770-Y783 HydrophobicContact CG-CD2 4.47Å; Y783-I785 PolarHBondContact O-N 2.99Å; Y783-I848 VanDerWaalsContact CD2-O 3.25Å; Y783-I848 WeakPolarHBondContact CD2-O 3.36Å; Y783-D850 HydrophobicContact CE2-CB 4.47Å | ||
| 784 | P | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 122 | 175.2 | 29.3 | -36.2 | 0 | 0 | 0 | 110.5 | P786 T832 T836 I837 I840 L849 | P784-P786 WeakPolarHBondContact O-CD 3.47Å; P784-T832 HydrophobicContact CB-CG2 3.98Å; P784-T832 HydrophobicContact CG-CG2 3.72Å; P784-T836 HydrophobicContact CB-CG2 3.79Å; P784-I837 HydrophobicContact CB-CG1 3.95Å; P784-I837 HydrophobicContact CG-CG1 4.12Å; P784-I840 HydrophobicContact CB-CD1 4.14Å; P784-L849 HydrophobicContact CG-CD2 3.46Å; P784-L849 VanDerWaalsContact CG-CD2 3.46Å |
| 785 | I | 93.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 119.2 | 174.5 | -57.9 | 175.1 | 0 | 0 | 0 | 108.9 | Y783 G799 K800 Y803 T836 | Y783-I785 PolarHBondContact O-N 2.99Å; I785-G799 WeakPolarHBondContact CD1-O 3.3Å; I785-K800 WeakPolarHBondContact CD1-O 3.49Å; I785-Y803 HydrophobicContact CB-CD2 4.04Å; I785-Y803 HydrophobicContact CB-CE2 3.86Å; I785-Y803 HydrophobicContact CG2-CD2 3.85Å; I785-Y803 HydrophobicContact CG2-CE2 4.04Å; I785-T836 HydrophobicContact CB-CG2 4.42Å |
| 786 | P | 92.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 14% | 0.143 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 155.5 | -178.1 | 29.4 | -34.5 | 0 | 0 | 0 | 111.1 | P784 Y802 Y803 G831 | P784-P786 WeakPolarHBondContact O-CD 3.47Å; P786-Y802 HydrophobicContact CB-CD1 4.46Å; P786-Y802 HydrophobicContact CG-CD1 3.75Å; P786-Y802 HydrophobicContact CG-CE1 3.77Å; P786-Y802 CarbonylContact O-C 3.54Å; P786-Y802 VanDerWaalsContact O-CA 3.28Å; P786-Y802 WeakPolarHBondContact O-CA 3.45Å; P786-Y803 PolarHBondContact O-N 3.39Å; P786-G831 WeakPolarHBondContact CA-O 3.07Å |
| 787 | H | 94.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 66.5 Ų | 66.5 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 154.3 | 171.1 | -64.2 | 46.5 | 0 | 0 | 0 | 110.2 | Y803 Y819 Y830 G831 T836 | H787-Y803 CarbonylContact C-O 3.58Å; H787-Y803 WeakPolarHBondContact CA-O 3.43Å; H787-Y803 AromaticContact CE1-CD2 3.53Å; H787-Y803 AromaticContact CE1-CG 3.91Å; H787-Y803 AromaticContact ND1-CD2 3.85Å; H787-Y819 HydrophobicContact CB-CE1 3.99Å; H787-Y819 VanDerWaalsContact CB-OH 3.23Å; H787-Y819 WeakPolarHBondContact CB-OH 3.39Å; H787-Y819 PolarHBondContact CD2-OH 3.14Å; H787-Y830 WeakPolarHBondContact O-CA 3.42Å; H787-G831 PolarHBondContact N-O 3.39Å; H787-G831 PolarHBondContact O-N 3.36Å; H787-T836 PolarHBondContact CE1-OG1 2.93Å |
| 788 | T | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151.2 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | R790 Y802 Y803 F804 A805 M829 Y830 | T788-R790 HydrophobicContact CG2-CB 4.14Å; T788-R790 WeakPolarHBondContact OG1-CB 3.29Å; T788-R790 PolarHBondContact OG1-N 3.3Å; T788-R790 VanDerWaalsContact OG1-N 3.1Å; T788-Y802 HydrophobicContact CG2-CD1 3.96Å; T788-Y802 HydrophobicContact CG2-CG 4.01Å; T788-Y803 PolarHBondContact N-O 2.99Å; T788-F804 HydrophobicContact CG2-CD1 3.67Å; T788-F804 HydrophobicContact CG2-CE1 3.8Å; T788-A805 PolarHBondContact O-N 3.25Å; T788-M829 WeakPolarHBondContact CA-O 3.27Å; T788-M829 WeakPolarHBondContact CB-O 3.28Å; T788-M829 PolarHBondContact OG1-O 3.03Å; T788-Y830 HydrophobicContact CG2-CE1 4.29Å; T788-Y830 WeakPolarHBondContact OG1-CD1 3.03Å; T788-Y830 WeakPolarHBondContact OG1-CE1 3.35Å |
| 789 | T | 95 | Very high | 92.3 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -87 | -5.4 | 169.5 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | A805 H807 M810 M829 | T789-A805 WeakPolarHBondContact CA-O 3.49Å; T789-H807 HydrophobicContact CG2-CB 4.26Å; T789-M810 HydrophobicContact CG2-CB 3.98Å; T789-M810 HydrophobicContact CG2-CG 4.4Å; T789-M810 HydrophobicContact CG2-SD 3.66Å; T789-M829 HydrophobicContact CG2-CB 3.96Å; T789-M829 HydrophobicContact CG2-CE 4.12Å; T789-M829 HydrophobicContact CG2-CG 4.4Å; T789-M829 PolarHBondContact N-O 3.49Å; T789-M829 PolarHBondContact OG1-N 2.67Å |
| 790 | R | 94.4 | Very high | 91.9 | Very high | 38 Ų | 38 | 66.7 Ų | 66.7 | 14% | 0.143 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -66.8 | 135.4 | 175.8 | -174.9 | -177 | 55.3 | 84.1 | -12.5 | 109.5 | T788 E796 F804 A828 Y830 | T788-R790 HydrophobicContact CG2-CB 4.14Å; T788-R790 WeakPolarHBondContact OG1-CB 3.29Å; T788-R790 PolarHBondContact OG1-N 3.3Å; T788-R790 VanDerWaalsContact OG1-N 3.1Å; R790-E796 IonicContact CZ-OE1 3.14Å; R790-E796 IonicContact CZ-OE2 2.67Å; R790-E796 IonicContact NH1-OE1 2.66Å; R790-E796 IonicContact NH1-OE2 3.38Å; R790-E796 PolarHBondContact NH1-OE2 3.08Å; R790-E796 VanDerWaalsContact NH2-CD 3.31Å; R790-E796 IonicContact NH2-OE1 3.89Å; R790-E796 PolarHBondContact NH2-OE1 3.04Å; R790-E796 IonicContact NH2-OE2 3.77Å; R790-E796 PolarHBondContact NH2-OE2 3.22Å; R790-F804 WeakPolarHBondContact O-CD1 3.22Å; R790-A828 HydrophobicContact CB-CB 3.71Å; R790-A828 HydrophobicContact CG-CB 4.49Å; R790-Y830 WeakPolarHBondContact CD-OH 3.43Å; R790-Y830 PolarHBondContact NE-OH 2.95Å |
| 791 | P | 90.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 147.3 | 172.9 | 25.4 | -34.2 | 0 | 0 | 0 | 112.3 | ||
| 792 | P | 92.4 | Very high | 91.6 | Very high | 75 Ų | 75 | 70.9 Ų | 70.9 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 139.9 | 176.6 | 26 | -34.1 | 0 | 0 | 0 | 111.8 | E796 F804 | P792-E796 HydrophobicContact CB-CB 4.37Å; P792-F804 HydrophobicContact CB-CD1 4.26Å; P792-F804 HydrophobicContact CB-CD2 3.98Å; P792-F804 HydrophobicContact CB-CE1 4.01Å; P792-F804 HydrophobicContact CB-CE2 3.74Å; P792-F804 HydrophobicContact CB-CG 4.24Å; P792-F804 HydrophobicContact CB-CZ 3.74Å; P792-F804 HydrophobicContact CG-CD2 4.49Å; P792-F804 HydrophobicContact CG-CG 4.49Å |
| 793 | K | 91.9 | Very high | 91.5 | Very high | 135 Ų | 135 | 73.1 Ų | 73.1 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 165.1 | 167.3 | -67.6 | 167.3 | -177.8 | 177.3 | 0 | 110 | D795 E796 | K793-D795 PolarHBondContact O-N 2.97Å; K793-E796 HydrophobicContact CB-CG 4.02Å; K793-E796 WeakPolarHBondContact CB-OE2 3.3Å; K793-E796 WeakPolarHBondContact CG-OE2 3.45Å; K793-E796 PolarHBondContact N-OE2 3.47Å; K793-E796 PolarHBondContact O-N 2.87Å |
| 794 | K | 86.3 | Confident | 91.5 | Very high | 210 Ų | 210 | 71.6 Ų | 71.6 | 91% | 0.913 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.2 | -174.1 | -68.6 | -174.4 | 176.7 | -178.1 | 0 | 114.9 | ||
| 795 | D | 89.8 | Confident | 91.5 | Very high | 155 Ų | 155 | 72.9 Ų | 72.9 | 83% | 0.829 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 12.2 | -178.1 | -44.9 | -65 | 0 | 0 | 0 | 113 | K793 | K793-D795 PolarHBondContact O-N 2.97Š|
| 796 | E | 91.2 | Very high | 91.5 | Very high | 40 Ų | 40 | 74.1 Ų | 74.1 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -102 | 118.7 | -179.1 | -71.2 | -179.1 | 139.6 | 0 | 0 | 112.4 | R790 P792 K793 F804 | R790-E796 IonicContact CZ-OE1 3.14Å; R790-E796 IonicContact CZ-OE2 2.67Å; R790-E796 IonicContact NH1-OE1 2.66Å; R790-E796 IonicContact NH1-OE2 3.38Å; R790-E796 PolarHBondContact NH1-OE2 3.08Å; R790-E796 VanDerWaalsContact NH2-CD 3.31Å; R790-E796 IonicContact NH2-OE1 3.89Å; R790-E796 PolarHBondContact NH2-OE1 3.04Å; R790-E796 IonicContact NH2-OE2 3.77Å; R790-E796 PolarHBondContact NH2-OE2 3.22Å; P792-E796 HydrophobicContact CB-CB 4.37Å; K793-E796 HydrophobicContact CB-CG 4.02Å; K793-E796 WeakPolarHBondContact CB-OE2 3.3Å; K793-E796 WeakPolarHBondContact CG-OE2 3.45Å; K793-E796 PolarHBondContact N-OE2 3.47Å; K793-E796 PolarHBondContact O-N 2.87Å; E796-F804 HydrophobicContact CB-CE2 4.29Å; E796-F804 HydrophobicContact CB-CZ 3.93Å |
| 797 | E | 89.7 | Confident | 91.5 | Very high | 113 Ų | 113 | 77.7 Ų | 77.7 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 136.6 | 176.5 | -65.4 | 171 | 146.2 | 0 | 0 | 111.2 | G799 K800 | E797-G799 PolarHBondContact O-N 3.01Å; E797-K800 HydrophobicContact CB-CB 4.2Å; E797-K800 HydrophobicContact CB-CD 4.11Å; E797-K800 PolarHBondContact O-N 3.4Å; E797-K800 WeakPolarHBondContact OE2-CD 3.36Å; E797-K800 WeakPolarHBondContact OE2-CE 3.42Å; E797-K800 IonicContact OE2-NZ 3.49Å; E797-K800 PolarHBondContact OE2-NZ 2.85Å |
| 798 | N | 90.4 | Very high | 91.4 | Very high | 106 Ų | 106 | 82.8 Ų | 82.8 | 57% | 0.567 | 42% | 0.423 | S | S | * | . | B | Isolated β-bridge | trans | -64.8 | 130.1 | 176.8 | -175.8 | 50 | 0 | 0 | 0 | 111.3 | Y803 F804 | N798-Y803 WeakPolarHBondContact OD1-CA 3.29Å; N798-F804 HydrophobicContact CB-CD2 3.97Å; N798-F804 PolarHBondContact OD1-N 3.36Å |
| 799 | G | 84.7 | Confident | 91.3 | Very high | 24 Ų | 24 | 86.6 Ų | 86.6 | 25% | 0.247 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 19.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I785 E797 Y802 | I785-G799 WeakPolarHBondContact CD1-O 3.3Å; E797-G799 PolarHBondContact O-N 3.01Å; G799-Y802 PolarHBondContact N-O 3.15Å |
| 800 | K | 85.6 | Confident | 91.1 | Very high | 122 Ų | 122 | 85.3 Ų | 85.3 | 53% | 0.53 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -64 | 173.9 | -171.8 | 175.8 | -168.5 | 174.1 | 0 | 112.1 | I785 E797 | I785-K800 WeakPolarHBondContact CD1-O 3.49Å; E797-K800 HydrophobicContact CB-CB 4.2Å; E797-K800 HydrophobicContact CB-CD 4.11Å; E797-K800 PolarHBondContact O-N 3.4Å; E797-K800 WeakPolarHBondContact OE2-CD 3.36Å; E797-K800 WeakPolarHBondContact OE2-CE 3.42Å; E797-K800 IonicContact OE2-NZ 3.49Å; E797-K800 PolarHBondContact OE2-NZ 2.85Å |
| 801 | N | 87.8 | Confident | 90.9 | Very high | 97 Ų | 97 | 87.8 Ų | 87.8 | 52% | 0.519 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -33.1 | 175.1 | -66.6 | -31.7 | 0 | 0 | 0 | 112.1 | ||
| 802 | Y | 93.2 | Very high | 91 | Very high | 68 Ų | 68 | 88 Ų | 88 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -143.8 | 152.4 | 177.1 | -65.3 | -83.1 | 0 | 0 | 0 | 110.1 | P786 T788 G799 Y830 | P786-Y802 HydrophobicContact CB-CD1 4.46Å; P786-Y802 HydrophobicContact CG-CD1 3.75Å; P786-Y802 HydrophobicContact CG-CE1 3.77Å; P786-Y802 CarbonylContact O-C 3.54Å; P786-Y802 VanDerWaalsContact O-CA 3.28Å; P786-Y802 WeakPolarHBondContact O-CA 3.45Å; T788-Y802 HydrophobicContact CG2-CD1 3.96Å; T788-Y802 HydrophobicContact CG2-CG 4.01Å; G799-Y802 PolarHBondContact N-O 3.15Å; Y802-Y830 HydrophobicContact CD1-CD1 4.29Å; Y802-Y830 HydrophobicContact CD1-CE1 4.33Å; Y802-Y830 AromaticContact CE1-CD1 3.81Å; Y802-Y830 HydrophobicContact CE1-CD1 3.81Å; Y802-Y830 AromaticContact CE1-CE1 3.78Å; Y802-Y830 HydrophobicContact CE1-CE1 3.78Å |
| 803 | Y | 94.4 | Very high | 90.8 | Very high | 67 Ų | 67 | 84.7 Ų | 84.7 | 26% | 0.263 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123 | 157.2 | -75 | -71.1 | 0 | 0 | 0 | 109.3 | I785 P786 H787 T788 N798 T836 | I785-Y803 HydrophobicContact CB-CD2 4.04Å; I785-Y803 HydrophobicContact CB-CE2 3.86Å; I785-Y803 HydrophobicContact CG2-CD2 3.85Å; I785-Y803 HydrophobicContact CG2-CE2 4.04Å; P786-Y803 PolarHBondContact O-N 3.39Å; H787-Y803 CarbonylContact C-O 3.58Å; H787-Y803 WeakPolarHBondContact CA-O 3.43Å; H787-Y803 AromaticContact CE1-CD2 3.53Å; H787-Y803 AromaticContact CE1-CG 3.91Å; H787-Y803 AromaticContact ND1-CD2 3.85Å; T788-Y803 PolarHBondContact N-O 2.99Å; N798-Y803 WeakPolarHBondContact OD1-CA 3.29Å; Y803-T836 HydrophobicContact CE2-CG2 4.28Å |
| 804 | F | 94.8 | Very high | 90.4 | Very high | 43 Ų | 43 | 79.2 Ų | 79.2 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.4 | -178 | -60.6 | -72.9 | 0 | 0 | 0 | 110 | T788 R790 P792 E796 N798 | T788-F804 HydrophobicContact CG2-CD1 3.67Å; T788-F804 HydrophobicContact CG2-CE1 3.8Å; R790-F804 WeakPolarHBondContact O-CD1 3.22Å; P792-F804 HydrophobicContact CB-CD1 4.26Å; P792-F804 HydrophobicContact CB-CD2 3.98Å; P792-F804 HydrophobicContact CB-CE1 4.01Å; P792-F804 HydrophobicContact CB-CE2 3.74Å; P792-F804 HydrophobicContact CB-CG 4.24Å; P792-F804 HydrophobicContact CB-CZ 3.74Å; P792-F804 HydrophobicContact CG-CD2 4.49Å; P792-F804 HydrophobicContact CG-CG 4.49Å; E796-F804 HydrophobicContact CB-CE2 4.29Å; E796-F804 HydrophobicContact CB-CZ 3.93Å; N798-F804 HydrophobicContact CB-CD2 3.97Å; N798-F804 PolarHBondContact OD1-N 3.36Å |
| 805 | A | 93 | Very high | 90.3 | Very high | 28 Ų | 28 | 73.1 Ų | 73.1 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | trans | -126.4 | 160.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T788 T789 | T788-A805 PolarHBondContact O-N 3.25Å; T789-A805 WeakPolarHBondContact CA-O 3.49Å | ||
| 806 | S | 93.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 70.1 Ų | 70.1 | 46% | 0.462 | 36% | 0.363 | S | S | . | . | trans | -74.3 | 156.8 | 168.4 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | D808 Q809 M810 | S806-D808 VanDerWaalsContact C-N 3.34Å; S806-D808 PolarHBondContact O-N 3.05Å; S806-Q809 PolarHBondContact O-N 3.4Å; S806-Q809 VanDerWaalsContact OG-CB 3.24Å; S806-Q809 WeakPolarHBondContact OG-CB 3.33Å; S806-Q809 PolarHBondContact OG-N 3.48Å; S806-M810 PolarHBondContact O-N 2.71Å | ||
| 807 | H | 92.3 | Very high | 90.1 | Very high | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 175.8 | -175.1 | 78.9 | 0 | 0 | 0 | 111.6 | T789 Q809 M810 M811 | T789-H807 HydrophobicContact CG2-CB 4.26Å; H807-Q809 PolarHBondContact O-N 3.33Å; H807-M810 PolarHBondContact O-N 3.23Å; H807-M811 WeakPolarHBondContact O-CG 3.48Å; H807-M811 PolarHBondContact O-N 2.97Å |
| 808 | D | 92.4 | Very high | 90.1 | Very high | 126 Ų | 126 | 72.3 Ų | 72.3 | 67% | 0.674 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | -179.5 | -52.4 | -31.4 | 0 | 0 | 0 | 112.3 | S806 M811 Q812 | S806-D808 VanDerWaalsContact C-N 3.34Å; S806-D808 PolarHBondContact O-N 3.05Å; D808-M811 PolarHBondContact O-N 3.23Å; D808-Q812 WeakPolarHBondContact O-CB 3.49Å; D808-Q812 PolarHBondContact O-N 2.97Å |
| 809 | Q | 93.3 | Very high | 90 | Very high | 81 Ų | 81 | 68 Ų | 68 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 177 | -174.7 | 66.3 | 62.6 | 0 | 0 | 111 | S806 H807 Q812 D813 | S806-Q809 PolarHBondContact O-N 3.4Å; S806-Q809 VanDerWaalsContact OG-CB 3.24Å; S806-Q809 WeakPolarHBondContact OG-CB 3.33Å; S806-Q809 PolarHBondContact OG-N 3.48Å; H807-Q809 PolarHBondContact O-N 3.33Å; Q809-Q812 PolarHBondContact O-N 2.9Å; Q809-D813 PolarHBondContact NE2-OD1 3.21Å; Q809-D813 WeakPolarHBondContact O-CB 3.47Å; Q809-D813 PolarHBondContact O-N 3.43Å |
| 810 | M | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 179.6 | -170.5 | 168.6 | 171.9 | 0 | 0 | 111.7 | T789 S806 H807 I814 Y819 M829 | T789-M810 HydrophobicContact CG2-CB 3.98Å; T789-M810 HydrophobicContact CG2-CG 4.4Å; T789-M810 HydrophobicContact CG2-SD 3.66Å; S806-M810 PolarHBondContact O-N 2.71Å; H807-M810 PolarHBondContact O-N 3.23Å; M810-I814 HydrophobicContact CE-CD1 4.32Å; M810-I814 HydrophobicContact CG-CD1 4.06Å; M810-I814 WeakPolarHBondContact O-CB 3.1Å; M810-I814 WeakPolarHBondContact O-CD1 3.49Å; M810-I814 WeakPolarHBondContact O-CG1 3.38Å; M810-I814 PolarHBondContact O-N 3.38Å; M810-Y819 HydrophobicContact CE-CD1 4.33Å; M810-Y819 HydrophobicContact CE-CE1 3.8Å; M810-Y819 HydrophobicContact CG-CE2 4.16Å; M810-M829 HydrophobicContact CB-CE 3.88Å; M810-M829 HydrophobicContact CE-CB 3.93Å; M810-M829 HydrophobicContact CE-CE 4.31Å; M810-M829 HydrophobicContact CG-CE 3.64Å; M810-M829 HydrophobicContact SD-CB 3.89Å; M810-M829 HydrophobicContact SD-CE 3.88Å |
| 811 | M | 89.8 | Confident | 90.2 | Very high | 89 Ų | 89 | 64.3 Ų | 64.3 | 44% | 0.438 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 173.6 | -74 | -60.9 | -64 | 0 | 0 | 112.4 | H807 D808 I814 S815 M829 | H807-M811 WeakPolarHBondContact O-CG 3.48Å; H807-M811 PolarHBondContact O-N 2.97Å; D808-M811 PolarHBondContact O-N 3.23Å; M811-I814 PolarHBondContact O-N 3.3Å; M811-I814 HydrophobicContact SD-CD1 4.5Å; M811-S815 PolarHBondContact O-N 3.47Å; M811-M829 HydrophobicContact CG-CE 3.91Å; M811-M829 HydrophobicContact SD-CE 3.65Å; M811-M829 HydrophobicContact SD-SD 3.82Å |
| 812 | Q | 92 | Very high | 90.3 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.1 | -48.9 | 175 | -173.3 | 175.2 | 19.6 | 0 | 0 | 111.5 | D808 Q809 I814 S815 N816 | D808-Q812 WeakPolarHBondContact O-CB 3.49Å; D808-Q812 PolarHBondContact O-N 2.97Å; Q809-Q812 PolarHBondContact O-N 2.9Å; Q812-I814 VanDerWaalsContact C-N 3.27Å; Q812-I814 PolarHBondContact O-N 2.87Å; Q812-S815 PolarHBondContact O-N 2.75Å; Q812-S815 VanDerWaalsContact O-N 3.13Å; Q812-S815 PolarHBondContact O-OG 3.49Å; Q812-N816 PolarHBondContact O-N 2.63Å |
| 813 | D | 89.3 | Confident | 89.9 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 176.3 | -67.4 | -12.4 | 0 | 0 | 0 | 111.9 | Q809 N816 N817 E818 Y819 R833 | Q809-D813 PolarHBondContact NE2-OD1 3.21Å; Q809-D813 WeakPolarHBondContact O-CB 3.47Å; Q809-D813 PolarHBondContact O-N 3.43Å; D813-N816 PolarHBondContact O-N 3.07Å; D813-N817 PolarHBondContact O-N 3.3Å; D813-E818 HydrophobicContact CB-CB 4.46Å; D813-E818 WeakPolarHBondContact O-CB 3.34Å; D813-E818 PolarHBondContact O-N 2.84Å; D813-Y819 HydrophobicContact CB-CD2 3.97Å; D813-Y819 HydrophobicContact CB-CE2 3.52Å; D813-R833 IonicContact OD1-CZ 3.19Å; D813-R833 IonicContact OD1-NH2 2.66Å; D813-R833 PolarHBondContact OD1-NH2 3.4Å; D813-R833 VanDerWaalsContact OD1-NH2 3.14Å; D813-R833 IonicContact OD2-CZ 3.78Å; D813-R833 IonicContact OD2-NE 2.73Å; D813-R833 IonicContact OD2-NH1 3.83Å; D813-R833 PolarHBondContact OD2-NH1 3.05Å; D813-R833 IonicContact OD2-NH2 2.92Å; D813-R833 PolarHBondContact OD2-NH2 3.11Å; D813-R833 VanDerWaalsContact OD2-NH2 3.12Å |
| 814 | I | 83.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 172.7 | -75.2 | 163.6 | 0 | 0 | 0 | 110.8 | M810 M811 Q812 N816 N817 Y819 Y822 M829 | M810-I814 HydrophobicContact CE-CD1 4.32Å; M810-I814 HydrophobicContact CG-CD1 4.06Å; M810-I814 WeakPolarHBondContact O-CB 3.1Å; M810-I814 WeakPolarHBondContact O-CD1 3.49Å; M810-I814 WeakPolarHBondContact O-CG1 3.38Å; M810-I814 PolarHBondContact O-N 3.38Å; M811-I814 PolarHBondContact O-N 3.3Å; M811-I814 HydrophobicContact SD-CD1 4.5Å; Q812-I814 VanDerWaalsContact C-N 3.27Å; Q812-I814 PolarHBondContact O-N 2.87Å; I814-N816 PolarHBondContact O-N 3.25Å; I814-N817 WeakPolarHBondContact O-CA 3.14Å; I814-N817 PolarHBondContact O-N 3.23Å; I814-Y819 HydrophobicContact CG1-CD2 3.78Å; I814-Y819 HydrophobicContact CG1-CE2 4.41Å; I814-Y819 HydrophobicContact CG1-CG 4.07Å; I814-Y822 HydrophobicContact CD1-CD1 4.13Å; I814-Y822 HydrophobicContact CD1-CD2 3.74Å; I814-Y822 HydrophobicContact CD1-CE2 4.18Å; I814-Y822 HydrophobicContact CD1-CG 3.71Å; I814-Y822 HydrophobicContact CG1-CD1 3.93Å; I814-Y822 HydrophobicContact CG1-CD2 4.42Å; I814-Y822 HydrophobicContact CG1-CE1 4.24Å; I814-Y822 HydrophobicContact CG1-CG 4.03Å; I814-Y822 HydrophobicContact CG2-CD1 4.21Å; I814-Y822 HydrophobicContact CG2-CE1 3.64Å; I814-Y822 HydrophobicContact CG2-CE2 4.09Å; I814-M829 HydrophobicContact CD1-CE 3.9Å |
| 815 | S | 84.1 | Confident | 89.1 | Confident | 82 Ų | 82 | 70 Ų | 70 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.1 | -26.3 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | M811 Q812 N817 | M811-S815 PolarHBondContact O-N 3.47Å; Q812-S815 PolarHBondContact O-N 2.75Å; Q812-S815 VanDerWaalsContact O-N 3.13Å; Q812-S815 PolarHBondContact O-OG 3.49Å; S815-N817 VanDerWaalsContact C-N 3.26Å; S815-N817 PolarHBondContact O-N 2.62Å |
| 816 | N | 86.7 | Confident | 88.7 | Confident | 92 Ų | 92 | 76.3 Ų | 76.3 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.1 | 172.5 | -68.9 | -17 | 0 | 0 | 0 | 113.7 | Q812 D813 I814 E818 | Q812-N816 PolarHBondContact O-N 2.63Å; D813-N816 PolarHBondContact O-N 3.07Å; I814-N816 PolarHBondContact O-N 3.25Å; N816-E818 HydrophobicContact CB-CG 4.04Å; N816-E818 PolarHBondContact O-N 2.8Å |
| 817 | N | 88.5 | Confident | 88.4 | Confident | 133 Ų | 133 | 81.7 Ų | 81.7 | 71% | 0.711 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 32.4 | -177 | -53.8 | -80.2 | 0 | 0 | 0 | 114.6 | D813 I814 S815 | D813-N817 PolarHBondContact O-N 3.3Å; I814-N817 WeakPolarHBondContact O-CA 3.14Å; I814-N817 PolarHBondContact O-N 3.23Å; S815-N817 VanDerWaalsContact C-N 3.26Å; S815-N817 PolarHBondContact O-N 2.62Å |
| 818 | E | 90.9 | Very high | 88.2 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | trans | -86.8 | -9 | -178.8 | -61 | -166.5 | -160.7 | 0 | 0 | 114.7 | D813 N816 R833 L834 | D813-E818 HydrophobicContact CB-CB 4.46Å; D813-E818 WeakPolarHBondContact O-CB 3.34Å; D813-E818 PolarHBondContact O-N 2.84Å; N816-E818 HydrophobicContact CB-CG 4.04Å; N816-E818 PolarHBondContact O-N 2.8Å; E818-R833 HydrophobicContact CB-CG 4.38Å; E818-R833 WeakPolarHBondContact O-CG 3.46Å; E818-R833 IonicContact OE2-CZ 3.94Å; E818-R833 IonicContact OE2-NE 2.76Å; E818-R833 PolarHBondContact OE2-NE 3.41Å; E818-R833 IonicContact OE2-NH2 2.92Å; E818-R833 PolarHBondContact OE2-NH2 3.12Å; E818-L834 WeakPolarHBondContact O-CG 3.35Å; E818-L834 PolarHBondContact O-N 2.9Å | ||
| 819 | Y | 88.1 | Confident | 88.2 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.8 | 177.7 | -81.2 | -96.4 | 0 | 0 | 0 | 111.4 | H787 M810 D813 I814 R833 | H787-Y819 HydrophobicContact CB-CE1 3.99Å; H787-Y819 VanDerWaalsContact CB-OH 3.23Å; H787-Y819 WeakPolarHBondContact CB-OH 3.39Å; H787-Y819 PolarHBondContact CD2-OH 3.14Å; M810-Y819 HydrophobicContact CE-CD1 4.33Å; M810-Y819 HydrophobicContact CE-CE1 3.8Å; M810-Y819 HydrophobicContact CG-CE2 4.16Å; D813-Y819 HydrophobicContact CB-CD2 3.97Å; D813-Y819 HydrophobicContact CB-CE2 3.52Å; I814-Y819 HydrophobicContact CG1-CD2 3.78Å; I814-Y819 HydrophobicContact CG1-CE2 4.41Å; I814-Y819 HydrophobicContact CG1-CG 4.07Å; Y819-R833 HydrophobicContact CD1-CB 4.38Å; Y819-R833 HydrophobicContact CE1-CB 4.08Å; Y819-R833 HydrophobicContact CE2-CG 4.32Å |
| 820 | L | 88.7 | Confident | 88.1 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -43.7 | 173.1 | 176.6 | 62.5 | 0 | 0 | 0 | 111.5 | T832 L834 I837 L849 V851 A855 V858 L859 | L820-T832 WeakPolarHBondContact CB-O 3.29Å; L820-T832 PolarHBondContact N-O 3.49Å; L820-L834 HydrophobicContact CB-CD2 3.83Å; L820-L834 HydrophobicContact CB-CG 4.44Å; L820-L834 HydrophobicContact CD1-CD2 4.11Å; L820-L834 HydrophobicContact CG-CD2 4.5Å; L820-I837 HydrophobicContact CD2-CD1 3.72Å; L820-L849 HydrophobicContact CD2-CD1 3.99Å; L820-V851 HydrophobicContact CD2-CG1 4.11Å; L820-A855 HydrophobicContact CD1-CB 3.92Å; L820-A855 HydrophobicContact CD2-CB 4.44Å; L820-A855 HydrophobicContact CG-CB 4.05Å; L820-V858 HydrophobicContact CD1-CB 3.86Å; L820-V858 HydrophobicContact CD1-CG1 4.18Å; L820-L859 HydrophobicContact CD1-CD1 4.24Å; L820-L859 HydrophobicContact CD1-CD2 4Å; L820-L859 HydrophobicContact CD1-CG 3.76Å; L820-L859 HydrophobicContact CD2-CD1 4.13Å; L820-L859 HydrophobicContact CD2-CD2 4.03Å; L820-L859 HydrophobicContact CD2-CG 4.26Å |
| 821 | E | 86.4 | Confident | 88 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 148.3 | 179.9 | 67.7 | -169.8 | 172.1 | 0 | 0 | 108 | G831 T832 V851 | E821-G831 CarbonylContact O-C 3.6Å; E821-G831 WeakPolarHBondContact O-CA 3.46Å; E821-T832 PolarHBondContact O-N 2.89Å; E821-T832 PolarHBondContact OE1-OG1 3.1Å; E821-V851 WeakPolarHBondContact OE2-CB 3.3Å; E821-V851 WeakPolarHBondContact OE2-CG1 3.26Å |
| 822 | Y | 89 | Confident | 88.1 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 55% | 0.553 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 154.8 | 174.8 | 60.7 | -88.9 | 0 | 0 | 0 | 110.4 | I814 Y830 | I814-Y822 HydrophobicContact CD1-CD1 4.13Å; I814-Y822 HydrophobicContact CD1-CD2 3.74Å; I814-Y822 HydrophobicContact CD1-CE2 4.18Å; I814-Y822 HydrophobicContact CD1-CG 3.71Å; I814-Y822 HydrophobicContact CG1-CD1 3.93Å; I814-Y822 HydrophobicContact CG1-CD2 4.42Å; I814-Y822 HydrophobicContact CG1-CE1 4.24Å; I814-Y822 HydrophobicContact CG1-CG 4.03Å; I814-Y822 HydrophobicContact CG2-CD1 4.21Å; I814-Y822 HydrophobicContact CG2-CE1 3.64Å; I814-Y822 HydrophobicContact CG2-CE2 4.09Å; Y822-Y830 CarbonylContact C-O 3.53Å; Y822-Y830 WeakPolarHBondContact CA-O 3.38Å |
| 823 | G | 85.1 | Confident | 88.1 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 169.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | M829 Y830 | G823-M829 CarbonylContact O-C 3.55Å; G823-M829 WeakPolarHBondContact O-CA 3.45Å; G823-Y830 PolarHBondContact N-O 3.21Å; G823-Y830 PolarHBondContact O-N 3.32Å |
| 824 | S | 86.5 | Confident | 88.3 | Confident | 107 Ų | 107 | 65 Ų | 65 | 75% | 0.748 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.7 | 178.2 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | A828 | S824-A828 CarbonylContact C-O 3.56Å; S824-A828 WeakPolarHBondContact CA-O 3.5Å |
| 825 | H | 84.9 | Confident | 88.8 | Confident | 109 Ų | 109 | 66.9 Ų | 66.9 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 128.8 | 175.2 | -175.7 | -79.5 | 0 | 0 | 0 | 109.3 | D827 A828 Y830 | H825-D827 VanDerWaalsContact C-N 3.35Å; H825-D827 PolarHBondContact O-N 2.78Å; H825-A828 PolarHBondContact N-O 3.43Å; H825-A828 PolarHBondContact O-N 2.71Å; H825-A828 VanDerWaalsContact O-N 3.13Å; H825-A828 VanDerWaalsContact O-O 3.08Å; H825-Y830 HydrophobicContact CB-CD2 4.1Å; H825-Y830 HydrophobicContact CB-CE2 4Å |
| 826 | E | 85.7 | Confident | 89.2 | Confident | 160 Ų | 160 | 63.5 Ų | 63.5 | 75% | 0.748 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 52.5 | -179 | -69.4 | 169.9 | 174.8 | 0 | 0 | 112.7 | A828 | E826-A828 PolarHBondContact O-N 3.4Š|
| 827 | D | 86.6 | Confident | 89.7 | Confident | 178 Ų | 178 | 59.1 Ų | 59.1 | 95% | 0.952 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 9.2 | -179.8 | -55.5 | -37.8 | 0 | 0 | 0 | 116.3 | H825 | H825-D827 VanDerWaalsContact C-N 3.35Å; H825-D827 PolarHBondContact O-N 2.78Å |
| 828 | A | 89.1 | Confident | 90 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | R790 S824 H825 E826 Y830 | R790-A828 HydrophobicContact CB-CB 3.71Å; R790-A828 HydrophobicContact CG-CB 4.49Å; S824-A828 CarbonylContact C-O 3.56Å; S824-A828 WeakPolarHBondContact CA-O 3.5Å; H825-A828 PolarHBondContact N-O 3.43Å; H825-A828 PolarHBondContact O-N 2.71Å; H825-A828 VanDerWaalsContact O-N 3.13Å; H825-A828 VanDerWaalsContact O-O 3.08Å; E826-A828 PolarHBondContact O-N 3.4Å; A828-Y830 HydrophobicContact CB-CE2 3.94Å |
| 829 | M | 91.3 | Very high | 90.2 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 151.1 | 170.9 | -52.7 | -161.2 | -49.2 | 0 | 0 | 111 | T788 T789 M810 M811 I814 G823 | T788-M829 WeakPolarHBondContact CA-O 3.27Å; T788-M829 WeakPolarHBondContact CB-O 3.28Å; T788-M829 PolarHBondContact OG1-O 3.03Å; T789-M829 HydrophobicContact CG2-CB 3.96Å; T789-M829 HydrophobicContact CG2-CE 4.12Å; T789-M829 HydrophobicContact CG2-CG 4.4Å; T789-M829 PolarHBondContact N-O 3.49Å; T789-M829 PolarHBondContact OG1-N 2.67Å; M810-M829 HydrophobicContact CB-CE 3.88Å; M810-M829 HydrophobicContact CE-CB 3.93Å; M810-M829 HydrophobicContact CE-CE 4.31Å; M810-M829 HydrophobicContact CG-CE 3.64Å; M810-M829 HydrophobicContact SD-CB 3.89Å; M810-M829 HydrophobicContact SD-CE 3.88Å; M811-M829 HydrophobicContact CG-CE 3.91Å; M811-M829 HydrophobicContact SD-CE 3.65Å; M811-M829 HydrophobicContact SD-SD 3.82Å; I814-M829 HydrophobicContact CD1-CE 3.9Å; G823-M829 CarbonylContact O-C 3.55Å; G823-M829 WeakPolarHBondContact O-CA 3.45Å |
| 830 | Y | 91.1 | Very high | 90.6 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 18% | 0.184 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.3 | 176 | -65.4 | -95.5 | 0 | 0 | 0 | 109 | H787 T788 R790 Y802 Y822 G823 H825 A828 | H787-Y830 WeakPolarHBondContact O-CA 3.42Å; T788-Y830 HydrophobicContact CG2-CE1 4.29Å; T788-Y830 WeakPolarHBondContact OG1-CD1 3.03Å; T788-Y830 WeakPolarHBondContact OG1-CE1 3.35Å; R790-Y830 WeakPolarHBondContact CD-OH 3.43Å; R790-Y830 PolarHBondContact NE-OH 2.95Å; Y802-Y830 HydrophobicContact CD1-CD1 4.29Å; Y802-Y830 HydrophobicContact CD1-CE1 4.33Å; Y802-Y830 AromaticContact CE1-CD1 3.81Å; Y802-Y830 HydrophobicContact CE1-CD1 3.81Å; Y802-Y830 AromaticContact CE1-CE1 3.78Å; Y802-Y830 HydrophobicContact CE1-CE1 3.78Å; Y822-Y830 CarbonylContact C-O 3.53Å; Y822-Y830 WeakPolarHBondContact CA-O 3.38Å; G823-Y830 PolarHBondContact N-O 3.21Å; G823-Y830 PolarHBondContact O-N 3.32Å; H825-Y830 HydrophobicContact CB-CD2 4.1Å; H825-Y830 HydrophobicContact CB-CE2 4Å; A828-Y830 HydrophobicContact CB-CE2 3.94Å |
| 831 | G | 90.9 | Very high | 91 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 160.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | P786 H787 E821 | P786-G831 WeakPolarHBondContact CA-O 3.07Å; H787-G831 PolarHBondContact N-O 3.39Å; H787-G831 PolarHBondContact O-N 3.36Å; E821-G831 CarbonylContact O-C 3.6Å; E821-G831 WeakPolarHBondContact O-CA 3.46Å |
| 832 | T | 91.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 104 | -178.9 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | P784 L820 E821 I837 | P784-T832 HydrophobicContact CB-CG2 3.98Å; P784-T832 HydrophobicContact CG-CG2 3.72Å; L820-T832 WeakPolarHBondContact CB-O 3.29Å; L820-T832 PolarHBondContact N-O 3.49Å; E821-T832 PolarHBondContact O-N 2.89Å; E821-T832 PolarHBondContact OE1-OG1 3.1Å; T832-I837 HydrophobicContact CG2-CD1 4.2Å; T832-I837 HydrophobicContact CG2-CG1 4.41Å |
| 833 | R | 93.1 | Very high | 91.7 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.5 | 177.2 | -161.4 | -178.4 | -172.4 | 144.9 | 3.9 | 110.6 | D813 E818 Y819 E835 T836 | D813-R833 IonicContact OD1-CZ 3.19Å; D813-R833 IonicContact OD1-NH2 2.66Å; D813-R833 PolarHBondContact OD1-NH2 3.4Å; D813-R833 VanDerWaalsContact OD1-NH2 3.14Å; D813-R833 IonicContact OD2-CZ 3.78Å; D813-R833 IonicContact OD2-NE 2.73Å; D813-R833 IonicContact OD2-NH1 3.83Å; D813-R833 PolarHBondContact OD2-NH1 3.05Å; D813-R833 IonicContact OD2-NH2 2.92Å; D813-R833 PolarHBondContact OD2-NH2 3.11Å; D813-R833 VanDerWaalsContact OD2-NH2 3.12Å; E818-R833 HydrophobicContact CB-CG 4.38Å; E818-R833 WeakPolarHBondContact O-CG 3.46Å; E818-R833 IonicContact OE2-CZ 3.94Å; E818-R833 IonicContact OE2-NE 2.76Å; E818-R833 PolarHBondContact OE2-NE 3.41Å; E818-R833 IonicContact OE2-NH2 2.92Å; E818-R833 PolarHBondContact OE2-NH2 3.12Å; Y819-R833 HydrophobicContact CD1-CB 4.38Å; Y819-R833 HydrophobicContact CE1-CB 4.08Å; Y819-R833 HydrophobicContact CE2-CG 4.32Å; R833-E835 HydrophobicContact CG-CB 4.33Å; R833-E835 PolarHBondContact O-N 2.91Å; R833-T836 PolarHBondContact O-N 3.44Å |
| 834 | L | 92.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.6 | -33.8 | -179.5 | -67.4 | 168.7 | 0 | 0 | 0 | 112.3 | E818 L820 T836 I837 R838 V858 F864 | E818-L834 WeakPolarHBondContact O-CG 3.35Å; E818-L834 PolarHBondContact O-N 2.9Å; L820-L834 HydrophobicContact CB-CD2 3.83Å; L820-L834 HydrophobicContact CB-CG 4.44Å; L820-L834 HydrophobicContact CD1-CD2 4.11Å; L820-L834 HydrophobicContact CG-CD2 4.5Å; L834-T836 VanDerWaalsContact C-N 3.29Å; L834-T836 PolarHBondContact O-N 3.31Å; L834-I837 WeakPolarHBondContact O-CB 3.12Å; L834-I837 PolarHBondContact O-N 3.04Å; L834-R838 PolarHBondContact O-N 3.04Å; L834-R838 VanDerWaalsContact O-N 3.07Å; L834-V858 HydrophobicContact CD1-CG1 4.13Å; L834-V858 HydrophobicContact CD2-CG1 3.84Å; L834-F864 HydrophobicContact CD2-CE1 4.39Å; L834-F864 HydrophobicContact CD2-CE2 4.47Å; L834-F864 HydrophobicContact CD2-CZ 3.87Å |
| 835 | E | 93.6 | Very high | 92.5 | Very high | 58 Ų | 58 | 59 Ų | 59 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.2 | -32.3 | 177.5 | -175.9 | 52.9 | -151.2 | 0 | 0 | 113.7 | R833 I837 R838 K839 | R833-E835 HydrophobicContact CG-CB 4.33Å; R833-E835 PolarHBondContact O-N 2.91Å; E835-I837 VanDerWaalsContact C-N 3.28Å; E835-I837 PolarHBondContact O-N 3.21Å; E835-R838 PolarHBondContact O-N 3.1Å; E835-R838 VanDerWaalsContact OE2-CD 3.23Å; E835-R838 WeakPolarHBondContact OE2-CD 3.49Å; E835-R838 IonicContact OE2-NH1 2.8Å; E835-K839 WeakPolarHBondContact O-CG 3.41Å; E835-K839 PolarHBondContact O-N 3.38Å; E835-K839 VanDerWaalsContact O-N 3.08Å; E835-K839 VanDerWaalsContact OE1-CE 3.28Å; E835-K839 WeakPolarHBondContact OE1-CE 3.49Å |
| 836 | T | 93.6 | Very high | 93 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -33.1 | 175.4 | -45.6 | 0 | 0 | 0 | 0 | 111.5 | P784 I785 H787 Y803 R833 L834 I840 | P784-T836 HydrophobicContact CB-CG2 3.79Å; I785-T836 HydrophobicContact CB-CG2 4.42Å; H787-T836 PolarHBondContact CE1-OG1 2.93Å; Y803-T836 HydrophobicContact CE2-CG2 4.28Å; R833-T836 PolarHBondContact O-N 3.44Å; L834-T836 VanDerWaalsContact C-N 3.29Å; L834-T836 PolarHBondContact O-N 3.31Å; T836-I840 PolarHBondContact O-N 2.81Å |
| 837 | I | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.3 | -43.3 | 176.7 | -54.2 | 171.7 | 0 | 0 | 0 | 109.9 | P784 L820 T832 L834 E835 K839 I840 H841 A847 L849 F864 | P784-I837 HydrophobicContact CB-CG1 3.95Å; P784-I837 HydrophobicContact CG-CG1 4.12Å; L820-I837 HydrophobicContact CD2-CD1 3.72Å; T832-I837 HydrophobicContact CG2-CD1 4.2Å; T832-I837 HydrophobicContact CG2-CG1 4.41Å; L834-I837 WeakPolarHBondContact O-CB 3.12Å; L834-I837 PolarHBondContact O-N 3.04Å; E835-I837 VanDerWaalsContact C-N 3.28Å; E835-I837 PolarHBondContact O-N 3.21Å; I837-K839 VanDerWaalsContact C-N 3.32Å; I837-K839 PolarHBondContact O-N 3.34Å; I837-I840 WeakPolarHBondContact O-CB 3.27Å; I837-I840 PolarHBondContact O-N 3.22Å; I837-I840 VanDerWaalsContact O-N 3.16Å; I837-H841 PolarHBondContact O-N 3.06Å; I837-H841 VanDerWaalsContact O-N 3.12Å; I837-A847 HydrophobicContact CG2-CB 3.99Å; I837-L849 HydrophobicContact CD1-CD1 4.04Å; I837-L849 HydrophobicContact CD1-CD2 4.05Å; I837-L849 HydrophobicContact CG1-CD2 4.24Å; I837-F864 HydrophobicContact CB-CE1 4.31Å; I837-F864 HydrophobicContact CG2-CD1 3.8Å; I837-F864 HydrophobicContact CG2-CE1 4.05Å |
| 838 | R | 95.9 | Very high | 94 | Very high | 84 Ų | 84 | 38.5 Ų | 38.5 | 32% | 0.317 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.4 | -44.5 | 174.5 | -69.5 | 172.2 | 177.2 | 137.8 | 8.5 | 112.3 | L834 E835 I840 H841 Q842 E863 | L834-R838 PolarHBondContact O-N 3.04Å; L834-R838 VanDerWaalsContact O-N 3.07Å; E835-R838 PolarHBondContact O-N 3.1Å; E835-R838 VanDerWaalsContact OE2-CD 3.23Å; E835-R838 WeakPolarHBondContact OE2-CD 3.49Å; E835-R838 IonicContact OE2-NH1 2.8Å; R838-I840 VanDerWaalsContact C-N 3.33Å; R838-I840 PolarHBondContact O-N 2.79Å; R838-H841 PolarHBondContact O-N 3.16Å; R838-H841 VanDerWaalsContact O-N 3.16Å; R838-Q842 WeakPolarHBondContact O-CG 3.37Å; R838-Q842 PolarHBondContact O-N 2.83Å; R838-E863 WeakPolarHBondContact CG-OE1 3.04Å; R838-E863 IonicContact CZ-OE1 2.67Å; R838-E863 IonicContact NE-OE1 2.83Å; R838-E863 PolarHBondContact NE-OE1 2.78Å; R838-E863 IonicContact NH2-OE1 3.83Å; R838-E863 PolarHBondContact NH2-OE1 3.44Å; R838-E863 IonicContact NH2-OE2 2.78Å |
| 839 | K | 95 | Very high | 94.3 | Very high | 88 Ų | 88 | 38.2 Ų | 38.2 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 177.5 | -74.2 | 169.4 | -179 | 169.5 | 0 | 113.2 | E835 I837 Q842 Q843 | E835-K839 WeakPolarHBondContact O-CG 3.41Å; E835-K839 PolarHBondContact O-N 3.38Å; E835-K839 VanDerWaalsContact O-N 3.08Å; E835-K839 VanDerWaalsContact OE1-CE 3.28Å; E835-K839 WeakPolarHBondContact OE1-CE 3.49Å; I837-K839 VanDerWaalsContact C-N 3.32Å; I837-K839 PolarHBondContact O-N 3.34Å; K839-Q842 PolarHBondContact O-N 3.46Å; K839-Q843 WeakPolarHBondContact O-CG 3.39Å; K839-Q843 PolarHBondContact O-N 3.21Å |
| 840 | I | 96.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 173.8 | -66.5 | 168.6 | 0 | 0 | 0 | 110.3 | A782 P784 T836 I837 R838 Q842 Q843 L845 A847 | A782-I840 HydrophobicContact CB-CD1 4.02Å; A782-I840 HydrophobicContact CB-CG1 4.08Å; A782-I840 HydrophobicContact CB-CG2 3.91Å; P784-I840 HydrophobicContact CB-CD1 4.14Å; T836-I840 PolarHBondContact O-N 2.81Å; I837-I840 WeakPolarHBondContact O-CB 3.27Å; I837-I840 PolarHBondContact O-N 3.22Å; I837-I840 VanDerWaalsContact O-N 3.16Å; R838-I840 VanDerWaalsContact C-N 3.33Å; R838-I840 PolarHBondContact O-N 2.79Å; I840-Q842 VanDerWaalsContact C-N 3.32Å; I840-Q842 PolarHBondContact O-N 3.05Å; I840-Q843 WeakPolarHBondContact O-CB 3.34Å; I840-Q843 PolarHBondContact O-N 2.9Å; I840-Q843 VanDerWaalsContact O-N 3.11Å; I840-L845 HydrophobicContact CG2-CB 3.79Å; I840-L845 PolarHBondContact O-N 3.44Å; I840-A847 HydrophobicContact CB-CB 4.27Å; I840-A847 HydrophobicContact CD1-CB 4.22Å; I840-A847 HydrophobicContact CG2-CB 3.86Å |
| 841 | H | 95.7 | Very high | 94.2 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 15% | 0.153 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 179 | -62.2 | 172.3 | 0 | 0 | 0 | 112.7 | K754 T755 I837 R838 Q843 G844 F864 | K754-H841 PolarHBondContact O-CD2 3.17Å; K754-H841 PolarHBondContact O-NE2 3.28Å; K754-H841 VanDerWaalsContact O-NE2 3.12Å; T755-H841 PolarHBondContact OG1-CE1 3.18Å; T755-H841 PolarHBondContact OG1-NE2 2.94Å; I837-H841 PolarHBondContact O-N 3.06Å; I837-H841 VanDerWaalsContact O-N 3.12Å; R838-H841 PolarHBondContact O-N 3.16Å; R838-H841 VanDerWaalsContact O-N 3.16Å; H841-Q843 VanDerWaalsContact C-N 3.26Å; H841-Q843 PolarHBondContact O-N 2.91Å; H841-G844 PolarHBondContact O-N 3.15Å; H841-F864 AromaticContact CE1-CD1 3.87Å |
| 842 | Q | 95.4 | Very high | 94 | Very high | 148 Ų | 148 | 42.1 Ų | 42.1 | 69% | 0.692 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.4 | -30.3 | 173.9 | -72.4 | 167.1 | 10.8 | 0 | 0 | 112.7 | R838 K839 I840 G844 | R838-Q842 WeakPolarHBondContact O-CG 3.37Å; R838-Q842 PolarHBondContact O-N 2.83Å; K839-Q842 PolarHBondContact O-N 3.46Å; I840-Q842 VanDerWaalsContact C-N 3.32Å; I840-Q842 PolarHBondContact O-N 3.05Å; Q842-G844 PolarHBondContact O-N 3.19Å |
| 843 | Q | 95.2 | Very high | 93.7 | Very high | 135 Ų | 135 | 42.5 Ų | 42.5 | 63% | 0.631 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -1.9 | 173.5 | -64.8 | 167.4 | 21.3 | 0 | 0 | 112.8 | K839 I840 H841 L845 | K839-Q843 WeakPolarHBondContact O-CG 3.39Å; K839-Q843 PolarHBondContact O-N 3.21Å; I840-Q843 WeakPolarHBondContact O-CB 3.34Å; I840-Q843 PolarHBondContact O-N 2.9Å; I840-Q843 VanDerWaalsContact O-N 3.11Å; H841-Q843 VanDerWaalsContact C-N 3.26Å; H841-Q843 PolarHBondContact O-N 2.91Å; Q843-L845 HydrophobicContact CB-CD1 4.2Å; Q843-L845 HydrophobicContact CB-CG 4.16Å; Q843-L845 PolarHBondContact O-N 3.45Å |
| 844 | G | 93.6 | Very high | 93.3 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 40% | 0.402 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -6.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K752 H841 Q842 | K752-G844 PolarHBondContact NZ-O 3.21Å; H841-G844 PolarHBondContact O-N 3.15Å; Q842-G844 PolarHBondContact O-N 3.19Å |
| 845 | L | 95.4 | Very high | 93 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 159.1 | 179 | -60.9 | 177.3 | 0 | 0 | 0 | 112.3 | D779 A782 I840 Q843 | D779-L845 VanDerWaalsContact C-CD2 3.4Å; D779-L845 WeakPolarHBondContact O-CD2 3.48Å; A782-L845 HydrophobicContact CB-CD1 3.99Å; I840-L845 HydrophobicContact CG2-CB 3.79Å; I840-L845 PolarHBondContact O-N 3.44Å; Q843-L845 HydrophobicContact CB-CD1 4.2Å; Q843-L845 HydrophobicContact CB-CG 4.16Å; Q843-L845 PolarHBondContact O-N 3.45Å |
| 846 | V | 95.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.1 | 171 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | K754 L756 R780 F781 A782 I848 M933 | K754-V846 CarbonylContact O-C 3.57Å; K754-V846 VanDerWaalsContact O-CA 3.23Å; K754-V846 WeakPolarHBondContact O-CA 3.35Å; L756-V846 HydrophobicContact CB-CG1 4.01Å; R780-V846 PolarHBondContact O-N 3.11Å; F781-V846 WeakPolarHBondContact CA-O 3.26Å; F781-V846 HydrophobicContact CD1-CB 3.76Å; F781-V846 HydrophobicContact CD1-CG1 3.94Å; F781-V846 HydrophobicContact CE1-CB 3.98Å; F781-V846 HydrophobicContact CE1-CG1 3.96Å; A782-V846 PolarHBondContact N-O 3.46Å; V846-I848 PolarHBondContact O-N 3.24Å; V846-M933 HydrophobicContact CG1-CE 4.13Å; V846-M933 HydrophobicContact CG2-CE 4.39Å |
| 847 | A | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 120.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K754 T755 L756 A782 I837 I840 | K754-A847 PolarHBondContact O-N 3.34Å; T755-A847 CarbonylContact C-O 3.59Å; T755-A847 VanDerWaalsContact CA-O 3.29Å; T755-A847 WeakPolarHBondContact CA-O 3.09Å; T755-A847 HydrophobicContact CG2-CB 4.49Å; T755-A847 WeakPolarHBondContact CG2-O 3.37Å; L756-A847 PolarHBondContact N-O 2.83Å; A782-A847 CarbonylContact O-C 3.57Å; A782-A847 WeakPolarHBondContact O-CA 3.44Å; I837-A847 HydrophobicContact CG2-CB 3.99Å; I840-A847 HydrophobicContact CB-CB 4.27Å; I840-A847 HydrophobicContact CD1-CB 4.22Å; I840-A847 HydrophobicContact CG2-CB 3.86Å |
| 848 | I | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.1 | 169.8 | -53.9 | -172.6 | 0 | 0 | 0 | 108.8 | L756 L758 K770 L773 I774 F781 A782 Y783 V846 | L756-I848 HydrophobicContact CB-CG1 4.43Å; L756-I848 HydrophobicContact CD2-CD1 4.28Å; L756-I848 HydrophobicContact CD2-CG1 4.25Å; L756-I848 CarbonylContact O-C 3.6Å; L756-I848 WeakPolarHBondContact O-CA 3.38Å; L758-I848 HydrophobicContact CD1-CG2 4.03Å; L758-I848 HydrophobicContact CG-CG2 4.3Å; K770-I848 HydrophobicContact CB-CG2 4.3Å; K770-I848 HydrophobicContact CD-CG2 4.32Å; K770-I848 HydrophobicContact CG-CB 4.5Å; K770-I848 HydrophobicContact CG-CG2 3.91Å; L773-I848 HydrophobicContact CB-CD1 3.71Å; L773-I848 HydrophobicContact CD1-CD1 3.95Å; L773-I848 HydrophobicContact CG-CD1 4.49Å; I774-I848 HydrophobicContact CG1-CD1 4.13Å; F781-I848 HydrophobicContact CB-CD1 3.74Å; F781-I848 HydrophobicContact CB-CG1 4.03Å; F781-I848 HydrophobicContact CD1-CD1 3.78Å; F781-I848 HydrophobicContact CD1-CG1 3.78Å; F781-I848 HydrophobicContact CG-CD1 3.77Å; F781-I848 HydrophobicContact CG-CG1 4.16Å; A782-I848 PolarHBondContact O-N 2.83Å; Y783-I848 VanDerWaalsContact CD2-O 3.25Å; Y783-I848 WeakPolarHBondContact CD2-O 3.36Å; V846-I848 PolarHBondContact O-N 3.24Å |
| 849 | L | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.4 | 178 | -60.8 | -173 | 0 | 0 | 0 | 110.6 | T755 L756 V757 L758 P784 L820 I837 V851 L859 | T755-L849 HydrophobicContact CG2-CB 4.31Å; T755-L849 HydrophobicContact CG2-CD1 3.38Å; T755-L849 HydrophobicContact CG2-CG 3.55Å; L756-L849 PolarHBondContact O-N 2.85Å; V757-L849 HydrophobicContact CG2-CB 4.41Å; V757-L849 HydrophobicContact CG2-CD1 4.5Å; L758-L849 PolarHBondContact N-O 3.48Å; P784-L849 HydrophobicContact CG-CD2 3.46Å; P784-L849 VanDerWaalsContact CG-CD2 3.46Å; L820-L849 HydrophobicContact CD2-CD1 3.99Å; I837-L849 HydrophobicContact CD1-CD1 4.04Å; I837-L849 HydrophobicContact CD1-CD2 4.05Å; I837-L849 HydrophobicContact CG1-CD2 4.24Å; L849-V851 HydrophobicContact CB-CG1 3.93Å; L849-V851 HydrophobicContact CB-CG2 4.4Å; L849-L859 HydrophobicContact CD1-CD1 3.6Å; L849-L859 HydrophobicContact CD1-CD2 3.6Å; L849-L859 HydrophobicContact CD1-CG 4.26Å |
| 850 | D | 91.5 | Very high | 91.3 | Very high | 29 Ų | 29 | 44 Ų | 44 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | trans | -130.2 | 55.2 | -172 | -172.5 | 18.7 | 0 | 0 | 0 | 108.9 | R766 K770 Y783 | R766-D850 WeakPolarHBondContact CB-OD1 3.48Å; R766-D850 WeakPolarHBondContact CD-OD1 3.41Å; R766-D850 IonicContact CZ-OD1 2.7Å; R766-D850 IonicContact NE-OD1 3.14Å; R766-D850 PolarHBondContact NH1-O 3.01Å; R766-D850 IonicContact NH1-OD1 2.6Å; R766-D850 PolarHBondContact NH1-OD1 3.43Å; K770-D850 HydrophobicContact CD-CB 3.85Å; K770-D850 WeakPolarHBondContact CE-OD2 3.2Å; K770-D850 IonicContact NZ-OD2 2.82Å; K770-D850 PolarHBondContact NZ-OD2 3.29Å; Y783-D850 HydrophobicContact CE2-CB 4.47Å | ||
| 851 | V | 88.3 | Confident | 91.1 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | trans | -104.4 | 171.8 | -160.8 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | V757 L759 L820 E821 L849 A855 L859 | V757-V851 HydrophobicContact CG1-CG2 3.74Å; L759-V851 HydrophobicContact CD2-CG2 4.3Å; L759-V851 VanDerWaalsContact CD2-O 3.26Å; L759-V851 WeakPolarHBondContact CD2-O 3.38Å; L820-V851 HydrophobicContact CD2-CG1 4.11Å; E821-V851 WeakPolarHBondContact OE2-CB 3.3Å; E821-V851 WeakPolarHBondContact OE2-CG1 3.26Å; L849-V851 HydrophobicContact CB-CG1 3.93Å; L849-V851 HydrophobicContact CB-CG2 4.4Å; V851-A855 HydrophobicContact CB-CB 3.85Å; V851-A855 HydrophobicContact CG1-CB 4.46Å; V851-A855 HydrophobicContact CG2-CB 3.78Å; V851-L859 HydrophobicContact CG2-CD1 4.39Å | ||
| 852 | E | 87.5 | Confident | 90.8 | Very high | 124 Ų | 124 | 46.5 Ų | 46.5 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | trans | -78.6 | 153.7 | 167.2 | -64 | -164.4 | 167.5 | 0 | 0 | 111.9 | Q854 A855 | E852-Q854 PolarHBondContact O-N 3.4Å; E852-A855 VanDerWaalsContact O-CB 3.29Å; E852-A855 WeakPolarHBondContact O-CB 3.45Å; E852-A855 PolarHBondContact O-N 2.97Å | ||
| 853 | P | 85.3 | Confident | 90.7 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -53.2 | -30.6 | -179.5 | -26.8 | 33.9 | 0 | 0 | 0 | 114.7 | L759 A855 L856 L905 Y909 | L759-P853 HydrophobicContact CD1-CB 4.25Å; L759-P853 HydrophobicContact CD1-CG 4.28Å; L759-P853 HydrophobicContact CD2-CG 4.33Å; P853-A855 PolarHBondContact O-N 2.86Å; P853-L856 WeakPolarHBondContact O-CB 3.27Å; P853-L856 WeakPolarHBondContact O-CG 3.4Å; P853-L856 PolarHBondContact O-N 2.81Å; P853-L905 HydrophobicContact CG-CD2 3.9Å; P853-Y909 HydrophobicContact CB-CD1 3.8Å; P853-Y909 HydrophobicContact CB-CD2 3.65Å; P853-Y909 HydrophobicContact CB-CE1 3.86Å; P853-Y909 HydrophobicContact CB-CE2 3.71Å; P853-Y909 HydrophobicContact CB-CG 3.69Å; P853-Y909 HydrophobicContact CG-CD2 3.65Å; P853-Y909 HydrophobicContact CG-CE2 3.73Å; P853-Y909 HydrophobicContact CG-CG 4.15Å |
| 854 | Q | 84 | Confident | 90.6 | Very high | 101 Ų | 101 | 36.9 Ų | 36.9 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -58 | -32.5 | 179.2 | -69.7 | 83.8 | -33.9 | 0 | 0 | 112.3 | E852 L856 K857 | E852-Q854 PolarHBondContact O-N 3.4Å; Q854-L856 PolarHBondContact O-N 2.65Å; Q854-L856 VanDerWaalsContact O-N 3.15Å; Q854-K857 PolarHBondContact O-N 3.09Å |
| 855 | A | 86.6 | Confident | 90.6 | Very high | 6 Ų | 6 | 35 Ų | 35 | 5% | 0.05 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -60.8 | -22.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L820 V851 E852 P853 K857 V858 L859 | L820-A855 HydrophobicContact CD1-CB 3.92Å; L820-A855 HydrophobicContact CD2-CB 4.44Å; L820-A855 HydrophobicContact CG-CB 4.05Å; V851-A855 HydrophobicContact CB-CB 3.85Å; V851-A855 HydrophobicContact CG1-CB 4.46Å; V851-A855 HydrophobicContact CG2-CB 3.78Å; E852-A855 VanDerWaalsContact O-CB 3.29Å; E852-A855 WeakPolarHBondContact O-CB 3.45Å; E852-A855 PolarHBondContact O-N 2.97Å; P853-A855 PolarHBondContact O-N 2.86Å; A855-K857 PolarHBondContact O-N 3.23Å; A855-V858 PolarHBondContact O-N 3.45Å; A855-V858 VanDerWaalsContact O-N 3.12Å; A855-L859 HydrophobicContact CB-CD1 4.31Å; A855-L859 WeakPolarHBondContact O-CG 3.49Å; A855-L859 PolarHBondContact O-N 3.49Å; A855-L859 VanDerWaalsContact O-N 3.12Å |
| 856 | L | 87.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -24 | 177.8 | -66.7 | 175.3 | 0 | 0 | 0 | 113.7 | V757 L759 P853 Q854 V858 L859 R860 V868 Y912 | V757-L856 HydrophobicContact CG1-CD2 4.14Å; V757-L856 HydrophobicContact CG2-CD2 4.43Å; L759-L856 HydrophobicContact CD1-CD1 3.7Å; L759-L856 HydrophobicContact CD1-CG 4.47Å; P853-L856 WeakPolarHBondContact O-CB 3.27Å; P853-L856 WeakPolarHBondContact O-CG 3.4Å; P853-L856 PolarHBondContact O-N 2.81Å; Q854-L856 PolarHBondContact O-N 2.65Å; Q854-L856 VanDerWaalsContact O-N 3.15Å; L856-V858 PolarHBondContact O-N 3.14Å; L856-L859 HydrophobicContact CD2-CD1 4.43Å; L856-L859 PolarHBondContact O-N 3.3Å; L856-R860 HydrophobicContact CB-CG 4.35Å; L856-R860 WeakPolarHBondContact O-CB 3.44Å; L856-R860 WeakPolarHBondContact O-CG 3.49Å; L856-R860 PolarHBondContact O-N 3Å; L856-R860 VanDerWaalsContact O-N 3.07Å; L856-V868 HydrophobicContact CD1-CG1 4.21Å; L856-V868 HydrophobicContact CD2-CG1 4.37Å; L856-V868 HydrophobicContact CD2-CG2 3.67Å; L856-Y912 HydrophobicContact CB-CD2 4.49Å; L856-Y912 HydrophobicContact CD1-CD2 3.64Å; L856-Y912 HydrophobicContact CD1-CE2 4.46Å; L856-Y912 HydrophobicContact CD1-CG 3.7Å |
| 857 | K | 83.7 | Confident | 90.6 | Very high | 127 Ų | 127 | 33.3 Ų | 33.3 | 55% | 0.552 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -58.7 | -29.8 | 173.9 | -66.9 | -167.6 | 173.3 | -165.2 | 0 | 112.3 | D738 Q854 A855 | D738-K857 WeakPolarHBondContact OD2-CE 3.35Å; D738-K857 IonicContact OD2-NZ 3.22Å; D738-K857 PolarHBondContact OD2-NZ 2.94Å; Q854-K857 PolarHBondContact O-N 3.09Å; A855-K857 PolarHBondContact O-N 3.23Å |
| 858 | V | 86.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -94.5 | -37.2 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | L820 L834 A855 L856 | L820-V858 HydrophobicContact CD1-CB 3.86Å; L820-V858 HydrophobicContact CD1-CG1 4.18Å; L834-V858 HydrophobicContact CD1-CG1 4.13Å; L834-V858 HydrophobicContact CD2-CG1 3.84Å; A855-V858 PolarHBondContact O-N 3.45Å; A855-V858 VanDerWaalsContact O-N 3.12Å; L856-V858 PolarHBondContact O-N 3.14Å |
| 859 | L | 90.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -75.6 | -23.9 | -174 | -66.5 | 167.4 | 0 | 0 | 0 | 114.9 | V757 L820 L849 V851 A855 L856 T861 F864 P866 | V757-L859 HydrophobicContact CG2-CD1 4.04Å; L820-L859 HydrophobicContact CD1-CD1 4.24Å; L820-L859 HydrophobicContact CD1-CD2 4Å; L820-L859 HydrophobicContact CD1-CG 3.76Å; L820-L859 HydrophobicContact CD2-CD1 4.13Å; L820-L859 HydrophobicContact CD2-CD2 4.03Å; L820-L859 HydrophobicContact CD2-CG 4.26Å; L849-L859 HydrophobicContact CD1-CD1 3.6Å; L849-L859 HydrophobicContact CD1-CD2 3.6Å; L849-L859 HydrophobicContact CD1-CG 4.26Å; V851-L859 HydrophobicContact CG2-CD1 4.39Å; A855-L859 HydrophobicContact CB-CD1 4.31Å; A855-L859 WeakPolarHBondContact O-CG 3.49Å; A855-L859 PolarHBondContact O-N 3.49Å; A855-L859 VanDerWaalsContact O-N 3.12Å; L856-L859 HydrophobicContact CD2-CD1 4.43Å; L856-L859 PolarHBondContact O-N 3.3Å; L859-T861 PolarHBondContact O-N 3.27Å; L859-F864 HydrophobicContact CD2-CB 4.19Å; L859-F864 HydrophobicContact CD2-CD1 4.23Å; L859-F864 HydrophobicContact CD2-CD2 4.26Å; L859-F864 HydrophobicContact CD2-CG 3.96Å; L859-P866 HydrophobicContact CB-CG 4.31Å; L859-P866 WeakPolarHBondContact O-CD 3.45Å; L859-P866 WeakPolarHBondContact O-CG 3.36Å |
| 860 | R | 89.6 | Confident | 90.5 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | trans | -76 | 50.1 | -172.5 | -74.3 | -174.3 | 70.3 | 93.5 | -0.4 | 114.8 | E743 L856 P866 Y912 W947 | E743-R860 IonicContact OE1-CZ 2.69Å; E743-R860 IonicContact OE1-NH2 2.63Å; E743-R860 PolarHBondContact OE1-NH2 2.75Å; E743-R860 IonicContact OE2-NH2 2.62Å; E743-R860 PolarHBondContact OE2-NH2 3.42Å; L856-R860 HydrophobicContact CB-CG 4.35Å; L856-R860 WeakPolarHBondContact O-CB 3.44Å; L856-R860 WeakPolarHBondContact O-CG 3.49Å; L856-R860 PolarHBondContact O-N 3Å; L856-R860 VanDerWaalsContact O-N 3.07Å; R860-P866 HydrophobicContact CG-CG 4.4Å; R860-Y912 VanDerWaalsContact CD-CD1 3.42Å; R860-Y912 PolarHBondContact NH1-O 2.93Å; R860-W947 HydrophobicContact CB-CZ2 4.48Å; R860-W947 PolarHBondContact O-NE1 3.33Å | ||
| 861 | T | 91.4 | Very high | 90.7 | Very high | 56 Ų | 56 | 31.9 Ų | 31.9 | 34% | 0.344 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -122.1 | 166.6 | 179.3 | 70.5 | 0 | 0 | 0 | 0 | 112 | L859 E863 F864 A865 | L859-T861 PolarHBondContact O-N 3.27Å; T861-E863 PolarHBondContact O-N 3.28Å; T861-E863 WeakPolarHBondContact OG1-CB 3.43Å; T861-E863 PolarHBondContact OG1-N 3.02Å; T861-F864 PolarHBondContact O-N 2.91Å; T861-F864 WeakPolarHBondContact OG1-CD2 3.39Å; T861-A865 WeakPolarHBondContact O-CA 3.45Å; T861-A865 PolarHBondContact O-N 2.98Å |
| 862 | A | 89.9 | Confident | 90.9 | Very high | 41 Ų | 41 | 32 Ų | 32 | 34% | 0.339 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -26.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K754 W947 | K754-A862 PolarHBondContact NZ-O 3.16Å; A862-W947 HydrophobicContact CB-CB 4.3Å |
| 863 | E | 92.5 | Very high | 90.9 | Very high | 77 Ų | 77 | 26.6 Ų | 26.6 | 36% | 0.36 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -51.4 | -176.4 | -168.8 | -170.6 | 155.5 | 0 | 0 | 111 | K754 R838 T861 | K754-E863 WeakPolarHBondContact CD-O 3.45Å; K754-E863 PolarHBondContact NZ-O 2.92Å; R838-E863 WeakPolarHBondContact CG-OE1 3.04Å; R838-E863 IonicContact CZ-OE1 2.67Å; R838-E863 IonicContact NE-OE1 2.83Å; R838-E863 PolarHBondContact NE-OE1 2.78Å; R838-E863 IonicContact NH2-OE1 3.83Å; R838-E863 PolarHBondContact NH2-OE1 3.44Å; R838-E863 IonicContact NH2-OE2 2.78Å; T861-E863 PolarHBondContact O-N 3.28Å; T861-E863 WeakPolarHBondContact OG1-CB 3.43Å; T861-E863 PolarHBondContact OG1-N 3.02Å |
| 864 | F | 94.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -26.9 | -178.6 | -51.4 | -75.9 | 0 | 0 | 0 | 112.8 | K754 T755 L834 I837 H841 L859 T861 | K754-F864 WeakPolarHBondContact CB-O 3.44Å; T755-F864 PolarHBondContact N-O 2.89Å; T755-F864 PolarHBondContact OG1-O 3.4Å; L834-F864 HydrophobicContact CD2-CE1 4.39Å; L834-F864 HydrophobicContact CD2-CE2 4.47Å; L834-F864 HydrophobicContact CD2-CZ 3.87Å; I837-F864 HydrophobicContact CB-CE1 4.31Å; I837-F864 HydrophobicContact CG2-CD1 3.8Å; I837-F864 HydrophobicContact CG2-CE1 4.05Å; H841-F864 AromaticContact CE1-CD1 3.87Å; L859-F864 HydrophobicContact CD2-CB 4.19Å; L859-F864 HydrophobicContact CD2-CD1 4.23Å; L859-F864 HydrophobicContact CD2-CD2 4.26Å; L859-F864 HydrophobicContact CD2-CG 3.96Å; T861-F864 PolarHBondContact O-N 2.91Å; T861-F864 WeakPolarHBondContact OG1-CD2 3.39Å |
| 865 | A | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 41.7 | 56.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F751 R753 K754 T861 W947 | F751-A865 HydrophobicContact CE1-CB 3.9Å; F751-A865 HydrophobicContact CZ-CB 3.96Å; R753-A865 WeakPolarHBondContact CA-O 3.27Å; R753-A865 WeakPolarHBondContact CB-O 3.43Å; R753-A865 VanDerWaalsContact CD-O 3.27Å; R753-A865 WeakPolarHBondContact CD-O 3.45Å; K754-A865 HydrophobicContact CD-CB 4.27Å; K754-A865 HydrophobicContact CG-CB 4.39Å; K754-A865 PolarHBondContact N-O 3.36Å; T861-A865 WeakPolarHBondContact O-CA 3.45Å; T861-A865 PolarHBondContact O-N 2.98Å; A865-W947 HydrophobicContact CB-CE3 4.46Å; A865-W947 HydrophobicContact CB-CZ3 4.43Å | ||
| 866 | P | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 144 | -168.3 | 28.8 | -37.1 | 0 | 0 | 0 | 111.4 | R753 T755 V757 L859 R860 V868 W947 | R753-P866 PolarHBondContact NH1-O 3.27Å; T755-P866 CarbonylContact O-C 3.51Å; T755-P866 WeakPolarHBondContact O-CA 3.3Å; V757-P866 HydrophobicContact CG2-CB 3.73Å; L859-P866 HydrophobicContact CB-CG 4.31Å; L859-P866 WeakPolarHBondContact O-CD 3.45Å; L859-P866 WeakPolarHBondContact O-CG 3.36Å; R860-P866 HydrophobicContact CG-CG 4.4Å; P866-V868 HydrophobicContact CB-CG2 4.26Å; P866-W947 HydrophobicContact CG-CH2 4.12Å; P866-W947 HydrophobicContact CG-CZ2 4.32Å |
| 867 | Y | 94.9 | Very high | 87.2 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 111.4 | 163 | -172.3 | -114.6 | 0 | 0 | 0 | 108 | R753 T755 L756 V757 V869 D914 M915 S932 M933 V936 | R753-Y867 HydrophobicContact CG-CD2 4.48Å; T755-Y867 PolarHBondContact O-N 2.96Å; L756-Y867 HydrophobicContact CD1-CD1 4.01Å; V757-Y867 PolarHBondContact N-O 2.86Å; Y867-V869 HydrophobicContact CD1-CG2 3.69Å; Y867-V869 HydrophobicContact CE1-CG2 3.46Å; Y867-V869 VanDerWaalsContact CE1-CG2 3.46Å; Y867-D914 WeakPolarHBondContact CA-OD2 3.39Å; Y867-D914 HydrophobicContact CD2-CB 3.56Å; Y867-D914 HydrophobicContact CE2-CB 3.26Å; Y867-D914 HydrophobicContact CG-CB 4.48Å; Y867-M915 HydrophobicContact CE1-CE 4.12Å; Y867-S932 PolarHBondContact OH-OG 2.81Å; Y867-M933 HydrophobicContact CD1-SD 3.51Å; Y867-M933 VanDerWaalsContact CD1-SD 3.51Å; Y867-M933 HydrophobicContact CE1-SD 4.21Å; Y867-M933 HydrophobicContact CG-SD 4.14Å; Y867-V936 HydrophobicContact CD2-CG1 4.14Å; Y867-V936 HydrophobicContact CD2-CG2 4.15Å; Y867-V936 HydrophobicContact CE1-CG2 4.41Å; Y867-V936 HydrophobicContact CE2-CB 4.47Å; Y867-V936 HydrophobicContact CE2-CG1 4.28Å; Y867-V936 HydrophobicContact CE2-CG2 3.49Å; Y867-V936 VanDerWaalsContact CE2-CG2 3.49Å |
| 868 | V | 95.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 112.6 | -169.6 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | V757 L759 L856 P866 Y912 F913 D914 M915 | V757-V868 HydrophobicContact CB-CG2 4.33Å; L759-V868 HydrophobicContact CD1-CG1 3.81Å; L759-V868 HydrophobicContact CG-CG1 4.24Å; L856-V868 HydrophobicContact CD1-CG1 4.21Å; L856-V868 HydrophobicContact CD2-CG1 4.37Å; L856-V868 HydrophobicContact CD2-CG2 3.67Å; P866-V868 HydrophobicContact CB-CG2 4.26Å; V868-Y912 WeakPolarHBondContact CB-O 3.44Å; V868-F913 HydrophobicContact CG1-CD1 4.02Å; V868-D914 PolarHBondContact N-OD2 3.37Å; V868-D914 PolarHBondContact O-N 3.09Å; V868-M915 PolarHBondContact O-N 3.36Å |
| 869 | V | 95.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.3 | 176.9 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | L756 V757 L758 L759 Y867 I871 M915 I917 L929 | L756-V869 HydrophobicContact CD1-CG2 3.89Å; V757-V869 PolarHBondContact O-N 2.95Å; L758-V869 HydrophobicContact CD2-CB 4.44Å; L759-V869 PolarHBondContact N-O 2.76Å; Y867-V869 HydrophobicContact CD1-CG2 3.69Å; Y867-V869 HydrophobicContact CE1-CG2 3.46Å; Y867-V869 VanDerWaalsContact CE1-CG2 3.46Å; V869-I871 HydrophobicContact CG1-CD1 3.97Å; V869-M915 WeakPolarHBondContact CA-O 3.4Å; V869-M915 HydrophobicContact CB-CE 4.47Å; V869-M915 HydrophobicContact CG1-CB 4.32Å; V869-M915 HydrophobicContact CG1-CE 3.79Å; V869-M915 HydrophobicContact CG1-CG 4.45Å; V869-M915 HydrophobicContact CG2-CB 4.41Å; V869-M915 HydrophobicContact CG2-CE 3.79Å; V869-I917 HydrophobicContact CG1-CD1 4.06Å; V869-I917 HydrophobicContact CG1-CG1 4.22Å; V869-L929 HydrophobicContact CB-CD2 3.98Å; V869-L929 HydrophobicContact CG1-CD2 3.78Å; V869-L929 HydrophobicContact CG2-CD2 3.8Å |
| 870 | F | 96 | Very high | 81.8 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.4 | 172.3 | -176.8 | -107.5 | 0 | 0 | 0 | 110.9 | L759 A872 S902 L905 Q906 F913 M915 T916 I917 | L759-F870 HydrophobicContact CB-CD2 4.04Å; L759-F870 CarbonylContact O-C 3.46Å; L759-F870 WeakPolarHBondContact O-CA 3.17Å; F870-A872 HydrophobicContact CD1-CB 4.08Å; F870-A872 HydrophobicContact CE1-CB 3.72Å; F870-S902 WeakPolarHBondContact CZ-O 3.48Å; F870-L905 HydrophobicContact CE2-CB 3.68Å; F870-L905 HydrophobicContact CE2-CD1 4.36Å; F870-L905 HydrophobicContact CZ-CB 3.96Å; F870-Q906 HydrophobicContact CD1-CB 4.39Å; F870-Q906 HydrophobicContact CD1-CG 4.38Å; F870-Q906 HydrophobicContact CE1-CB 3.68Å; F870-Q906 HydrophobicContact CE1-CG 4.08Å; F870-Q906 HydrophobicContact CZ-CB 3.99Å; F870-F913 HydrophobicContact CB-CB 4.45Å; F870-F913 HydrophobicContact CB-CD1 3.98Å; F870-F913 HydrophobicContact CB-CD2 3.3Å; F870-F913 HydrophobicContact CB-CE1 4.01Å; F870-F913 HydrophobicContact CB-CE2 3.33Å; F870-F913 HydrophobicContact CB-CG 3.66Å; F870-F913 HydrophobicContact CB-CZ 3.72Å; F870-F913 HydrophobicContact CD1-CD2 4.21Å; F870-F913 AromaticContact CD1-CE2 3.64Å; F870-F913 HydrophobicContact CD1-CE2 3.64Å; F870-F913 HydrophobicContact CD1-CZ 4.27Å; F870-F913 HydrophobicContact CD2-CD2 4.44Å; F870-F913 HydrophobicContact CD2-CE1 4Å; F870-F913 AromaticContact CD2-CE2 3.6Å; F870-F913 HydrophobicContact CD2-CE2 3.6Å; F870-F913 AromaticContact CD2-CZ 3.34Å; F870-F913 HydrophobicContact CD2-CZ 3.34Å; F870-F913 HydrophobicContact CE1-CE2 4.34Å; F870-F913 HydrophobicContact CE2-CE2 4.3Å; F870-F913 AromaticContact CE2-CZ 4Å; F870-F913 HydrophobicContact CE2-CZ 4Å; F870-F913 AromaticContact CG-CD2 3.76Å; F870-F913 HydrophobicContact CG-CD2 3.76Å; F870-F913 HydrophobicContact CG-CE1 4.23Å; F870-F913 AromaticContact CG-CE2 3.22Å; F870-F913 HydrophobicContact CG-CE2 3.22Å; F870-F913 HydrophobicContact CG-CG 4.46Å; F870-F913 AromaticContact CG-CZ 3.51Å; F870-F913 HydrophobicContact CG-CZ 3.51Å; F870-M915 PolarHBondContact N-O 2.95Å; F870-T916 HydrophobicContact CD1-CG2 3.93Å; F870-T916 CarbonylContact O-C 3.59Å; F870-T916 WeakPolarHBondContact O-CA 3.43Å; F870-I917 PolarHBondContact O-N 3.42Å |
| 871 | I | 95.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 100.1 | 176.1 | -50.4 | -57.4 | 0 | 0 | 0 | 107.4 | L759 G760 V764 R766 I769 V869 I917 N919 T925 L929 | L759-I871 PolarHBondContact O-N 2.68Å; G760-I871 WeakPolarHBondContact CA-O 3.39Å; V764-I871 HydrophobicContact CG1-CB 4.09Å; V764-I871 HydrophobicContact CG1-CG2 3.94Å; V764-I871 HydrophobicContact CG2-CG2 4.11Å; R766-I871 HydrophobicContact CG-CG1 4.48Å; I769-I871 HydrophobicContact CD1-CG2 4.19Å; V869-I871 HydrophobicContact CG1-CD1 3.97Å; I871-I917 WeakPolarHBondContact CA-O 3.36Å; I871-I917 HydrophobicContact CD1-CB 4.45Å; I871-N919 HydrophobicContact CG2-CB 3.65Å; I871-T925 HydrophobicContact CD1-CG2 4.08Å; I871-L929 HydrophobicContact CD1-CD1 4.45Å |
| 872 | A | 92.6 | Very high | 78.2 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 150.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F870 S902 T916 I917 I918 N919 | F870-A872 HydrophobicContact CD1-CB 4.08Å; F870-A872 HydrophobicContact CE1-CB 3.72Å; A872-S902 WeakPolarHBondContact CA-OG 3.41Å; A872-T916 HydrophobicContact CB-CG2 4.21Å; A872-I917 PolarHBondContact N-O 3.25Å; A872-I918 HydrophobicContact CB-CG1 4.28Å; A872-N919 PolarHBondContact O-N 3Å |
| 873 | A | 89 | Confident | 76.6 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 152 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L898 S902 | A873-L898 HydrophobicContact CB-CD2 4.39Å; A873-L898 HydrophobicContact CB-CG 4.11Å; A873-S902 PolarHBondContact N-OG 2.98Å |
| 874 | P | 81.4 | Confident | 75.1 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 147.2 | 177.6 | -18.4 | 25.6 | 0 | 0 | 0 | 113.1 | I876 P884 W886 N919 N920 | P874-I876 PolarHBondContact O-N 2.77Å; P874-P884 HydrophobicContact CB-CG 3.92Å; P874-P884 HydrophobicContact CG-CG 3.98Å; P874-W886 HydrophobicContact CG-CH2 4.27Å; P874-W886 HydrophobicContact CG-CZ2 3.8Å; P874-N919 WeakPolarHBondContact CG-O 3.41Å; P874-N920 WeakPolarHBondContact CA-OD1 3.47Å |
| 875 | T | 70.2 | Confident | 73.5 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | trans | -83.4 | 106.6 | 176.7 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | T877 N920 | T875-T877 PolarHBondContact O-N 3.17Å; T875-N920 PolarHBondContact N-OD1 2.79Å | ||
| 876 | I | 62.1 | Low | 72 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | trans | -76.2 | 104.5 | 173.1 | -47.8 | 173.2 | 0 | 0 | 0 | 108.8 | P874 L895 | P874-I876 PolarHBondContact O-N 2.77Å; I876-L895 HydrophobicContact CD1-CD2 3.39Å; I876-L895 HydrophobicContact CD1-CG 4.17Å; I876-L895 HydrophobicContact CG1-CD2 4.31Å | ||
| 877 | T | 51.5 | Low | 70.3 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | trans | -90.3 | 120.2 | 175.7 | -54 | 0 | 0 | 0 | 0 | 109.6 | T875 G879 I880 | T875-T877 PolarHBondContact O-N 3.17Å; T877-G879 PolarHBondContact O-N 3.19Å; T877-I880 PolarHBondContact O-N 2.92Å | ||
| 878 | P | 46.5 | Very low | 68.6 | Low | 129 Ų | 129 | 66.8 Ų | 66.8 | 84% | 0.838 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 110.9 | 178.7 | -22.1 | 33.6 | 0 | 0 | 0 | 111.2 | ||
| 879 | G | 52.4 | Low | 66.8 | Low | 83 Ų | 83 | 72.5 Ų | 72.5 | 86% | 0.856 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | -1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | T877 | T877-G879 PolarHBondContact O-N 3.19Š|
| 880 | I | 49.1 | Very low | 65 | Low | 117 Ų | 117 | 75.7 Ų | 75.7 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -135.9 | 121.8 | 174.3 | -54.9 | -178.3 | 0 | 0 | 0 | 110.6 | T877 | T877-I880 PolarHBondContact O-N 2.92Š|
| 881 | N | 47.9 | Very low | 63.5 | Low | 153 Ų | 153 | 79.7 Ų | 79.7 | 82% | 0.818 | 44% | 0.439 | S | S | * | . | trans | 71.4 | 133.2 | 176.6 | -63.1 | -14.7 | 0 | 0 | 0 | 118.1 | ||||
| 882 | E | 55.8 | Low | 62 | Low | 136 Ų | 136 | 85.8 Ų | 85.8 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -59 | 147 | 168.4 | -58.5 | 175.7 | 133.4 | 0 | 0 | 110.9 | R888 | E882-R888 VanDerWaalsContact CB-NH2 3.25Å; E882-R888 IonicContact OE1-NH1 3.38Å; E882-R888 IonicContact OE2-CZ 2.72Å; E882-R888 IonicContact OE2-NH1 2.66Å; E882-R888 PolarHBondContact OE2-NH1 3.38Å; E882-R888 IonicContact OE2-NH2 3.7Å; E882-R888 PolarHBondContact OE2-NH2 2.98Å |
| 883 | P | 57.7 | Low | 60.9 | Low | 62 Ų | 62 | 91.3 Ų | 91.3 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 155.1 | 179.2 | 22.5 | -32.2 | 0 | 0 | 0 | 112.5 | C887 R888 | P883-C887 HydrophobicContact CB-CB 4.15Å; P883-R888 HydrophobicContact CG-CG 4.23Å; P883-R888 WeakPolarHBondContact O-CG 3.32Å; P883-R888 PolarHBondContact O-NE 3.25Å; P883-R888 PolarHBondContact O-NH2 3.26Å |
| 884 | P | 60.3 | Low | 60.1 | Low | 30 Ų | 30 | 93 Ų | 93 | 20% | 0.195 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -49 | 146.4 | -179.7 | -31.5 | 37 | 0 | 0 | 0 | 113.3 | P874 W886 C887 R888 N920 | P874-P884 HydrophobicContact CB-CG 3.92Å; P874-P884 HydrophobicContact CG-CG 3.98Å; P884-W886 PolarHBondContact O-N 2.93Å; P884-C887 HydrophobicContact CB-CB 4.36Å; P884-C887 WeakPolarHBondContact O-CA 3.36Å; P884-C887 WeakPolarHBondContact O-CB 3.39Å; P884-C887 PolarHBondContact O-N 3.48Å; P884-R888 PolarHBondContact O-N 3.38Å; P884-N920 VanDerWaalsContact CB-O 3.29Å; P884-N920 WeakPolarHBondContact CB-O 3.45Å; P884-N920 WeakPolarHBondContact CG-O 3.43Å |
| 885 | R | 60.7 | Low | 59.8 | Low | 225 Ų | 225 | 93.6 Ų | 93.6 | 85% | 0.849 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28 | -170 | -151.3 | 178.9 | -169.4 | -171.5 | 3.9 | 113.9 | ||
| 886 | W | 62.6 | Low | 60.1 | Low | 59 Ų | 59 | 95.9 Ų | 95.9 | 22% | 0.223 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -23 | 175 | 67.4 | -94.3 | 0 | 0 | 0 | 114.2 | P874 P884 T889 L890 L898 I922 | P874-W886 HydrophobicContact CG-CH2 4.27Å; P874-W886 HydrophobicContact CG-CZ2 3.8Å; P884-W886 PolarHBondContact O-N 2.93Å; W886-T889 PolarHBondContact O-OG1 3.44Å; W886-L890 HydrophobicContact CZ3-CD1 4.44Å; W886-L898 HydrophobicContact CH2-CD2 4.2Å; W886-L898 HydrophobicContact CZ3-CD2 4.49Å; W886-I922 HydrophobicContact CG-CD1 4.35Å |
| 887 | C | 58.8 | Low | 61 | Low | 2 Ų | 2 | 99.2 Ų | 99.2 | 1% | 0.014 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -25.2 | 172.8 | -73.8 | 0 | 0 | 0 | 0 | 112.7 | P883 P884 T889 L890 L895 | P883-C887 HydrophobicContact CB-CB 4.15Å; P884-C887 HydrophobicContact CB-CB 4.36Å; P884-C887 WeakPolarHBondContact O-CA 3.36Å; P884-C887 WeakPolarHBondContact O-CB 3.39Å; P884-C887 PolarHBondContact O-N 3.48Å; C887-T889 PolarHBondContact O-N 3.1Å; C887-L890 WeakPolarHBondContact O-CB 3.44Å; C887-L890 PolarHBondContact O-N 3.16Å; C887-L895 HydrophobicContact CB-CD1 3.74Å |
| 888 | R | 59.7 | Low | 62.6 | Low | 126 Ų | 126 | 96 Ų | 96 | 48% | 0.475 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.7 | -177.6 | -65.4 | 178.1 | -165 | -150.7 | 1.5 | 114.9 | E882 P883 P884 | E882-R888 VanDerWaalsContact CB-NH2 3.25Å; E882-R888 IonicContact OE1-NH1 3.38Å; E882-R888 IonicContact OE2-CZ 2.72Å; E882-R888 IonicContact OE2-NH1 2.66Å; E882-R888 PolarHBondContact OE2-NH1 3.38Å; E882-R888 IonicContact OE2-NH2 3.7Å; E882-R888 PolarHBondContact OE2-NH2 2.98Å; P883-R888 HydrophobicContact CG-CG 4.23Å; P883-R888 WeakPolarHBondContact O-CG 3.32Å; P883-R888 PolarHBondContact O-NE 3.25Å; P883-R888 PolarHBondContact O-NH2 3.26Å; P884-R888 PolarHBondContact O-N 3.38Å |
| 889 | T | 57.1 | Low | 64.3 | Low | 121 Ų | 121 | 92.7 Ų | 92.7 | 74% | 0.742 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -3.9 | 176.3 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | W886 C887 | W886-T889 PolarHBondContact O-OG1 3.44Å; C887-T889 PolarHBondContact O-N 3.1Å |
| 890 | L | 58.8 | Low | 65.9 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 35% | 0.346 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -90.1 | 138.3 | 176.6 | -63.2 | 173.4 | 0 | 0 | 0 | 110.3 | W886 C887 | W886-L890 HydrophobicContact CZ3-CD1 4.44Å; C887-L890 WeakPolarHBondContact O-CB 3.44Å; C887-L890 PolarHBondContact O-N 3.16Å |
| 891 | P | 64.6 | Low | 67.8 | Low | 86 Ų | 86 | 93.3 Ų | 93.3 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | trans | -59.4 | 148.5 | 166.5 | -22.4 | 33.2 | 0 | 0 | 0 | 111.7 | E893 S894 L895 | P891-E893 PolarHBondContact O-N 3.05Å; P891-E893 VanDerWaalsContact O-N 3.15Å; P891-S894 WeakPolarHBondContact O-CA 3.34Å; P891-S894 WeakPolarHBondContact O-CB 3.48Å; P891-S894 PolarHBondContact O-N 3.45Å; P891-L895 PolarHBondContact O-N 3.46Å | ||
| 892 | D | 63.5 | Low | 69.9 | Low | 128 Ų | 128 | 86.2 Ų | 86.2 | 68% | 0.684 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -54 | -37.7 | -177.8 | -68.6 | -28.9 | 0 | 0 | 0 | 113.2 | S894 L895 Q896 | D892-S894 VanDerWaalsContact C-N 3.34Å; D892-S894 PolarHBondContact O-N 2.95Å; D892-L895 PolarHBondContact O-N 2.58Å; D892-Q896 WeakPolarHBondContact O-CG 3.49Å; D892-Q896 PolarHBondContact O-N 3.2Å |
| 893 | E | 69.6 | Low | 71.5 | Confident | 120 Ų | 120 | 84.8 Ų | 84.8 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.4 | -39.4 | 174.1 | -73.7 | -164.5 | -161.7 | 0 | 0 | 113.1 | P891 L895 Q896 R897 | P891-E893 PolarHBondContact O-N 3.05Å; P891-E893 VanDerWaalsContact O-N 3.15Å; E893-L895 VanDerWaalsContact C-N 3.34Å; E893-Q896 PolarHBondContact O-N 2.71Å; E893-R897 WeakPolarHBondContact O-CB 3.4Å; E893-R897 WeakPolarHBondContact O-CG 3.42Å; E893-R897 PolarHBondContact O-N 3.46Å; E893-R897 IonicContact OE2-CZ 3.07Å; E893-R897 IonicContact OE2-NE 2.71Å; E893-R897 IonicContact OE2-NH2 3.38Å; E893-R897 PolarHBondContact OE2-NH2 2.83Å |
| 894 | S | 72.3 | Confident | 72.9 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 179.8 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | P891 D892 R897 L898 | P891-S894 WeakPolarHBondContact O-CA 3.34Å; P891-S894 WeakPolarHBondContact O-CB 3.48Å; P891-S894 PolarHBondContact O-N 3.45Å; D892-S894 VanDerWaalsContact C-N 3.34Å; D892-S894 PolarHBondContact O-N 2.95Å; S894-R897 PolarHBondContact O-N 2.87Å; S894-L898 WeakPolarHBondContact O-CB 3.34Å; S894-L898 PolarHBondContact O-N 3.38Å |
| 895 | L | 74.2 | Confident | 74.2 | Confident | 27 Ų | 27 | 86.2 Ų | 86.2 | 14% | 0.141 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 175.2 | -165.2 | 93.9 | 0 | 0 | 0 | 111.4 | I876 C887 P891 D892 E893 L898 Q899 | I876-L895 HydrophobicContact CD1-CD2 3.39Å; I876-L895 HydrophobicContact CD1-CG 4.17Å; I876-L895 HydrophobicContact CG1-CD2 4.31Å; C887-L895 HydrophobicContact CB-CD1 3.74Å; P891-L895 PolarHBondContact O-N 3.46Å; D892-L895 PolarHBondContact O-N 2.58Å; E893-L895 VanDerWaalsContact C-N 3.34Å; L895-L898 WeakPolarHBondContact O-CB 3.48Å; L895-L898 PolarHBondContact O-N 2.83Å; L895-Q899 PolarHBondContact O-N 3.27Å |
| 896 | Q | 76.6 | Confident | 75.6 | Confident | 134 Ų | 134 | 79.3 Ų | 79.3 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 175.3 | -69.8 | 177.9 | 15.1 | 0 | 0 | 112.5 | D892 E893 Q899 K900 | D892-Q896 WeakPolarHBondContact O-CG 3.49Å; D892-Q896 PolarHBondContact O-N 3.2Å; E893-Q896 PolarHBondContact O-N 2.71Å; Q896-Q899 PolarHBondContact O-N 3.45Å; Q896-K900 WeakPolarHBondContact O-CB 3.38Å; Q896-K900 PolarHBondContact O-N 2.96Å |
| 897 | R | 80.8 | Confident | 76.6 | Confident | 156 Ų | 156 | 85.5 Ų | 85.5 | 59% | 0.589 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 174.6 | -71 | 168.1 | -161.9 | -160.6 | 7.9 | 111.1 | E893 S894 Q899 K900 E901 | E893-R897 WeakPolarHBondContact O-CB 3.4Å; E893-R897 WeakPolarHBondContact O-CG 3.42Å; E893-R897 PolarHBondContact O-N 3.46Å; E893-R897 IonicContact OE2-CZ 3.07Å; E893-R897 IonicContact OE2-NE 2.71Å; E893-R897 IonicContact OE2-NH2 3.38Å; E893-R897 PolarHBondContact OE2-NH2 2.83Å; S894-R897 PolarHBondContact O-N 2.87Å; R897-Q899 PolarHBondContact O-N 2.76Å; R897-K900 PolarHBondContact O-N 2.95Å; R897-E901 WeakPolarHBondContact O-CB 3.5Å; R897-E901 PolarHBondContact O-N 2.87Å |
| 898 | L | 84.9 | Confident | 77.8 | Confident | 9 Ų | 9 | 88.7 Ų | 88.7 | 5% | 0.047 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -55.6 | -48.5 | 176.4 | 177.6 | 73.5 | 0 | 0 | 0 | 112 | A761 H762 V764 A873 W886 S894 L895 S902 | A761-L898 HydrophobicContact CB-CD1 3.77Å; H762-L898 VanDerWaalsContact O-CD1 3.31Å; H762-L898 WeakPolarHBondContact O-CD1 3.16Å; V764-L898 HydrophobicContact CB-CD1 3.99Å; V764-L898 HydrophobicContact CG2-CD1 4.48Å; A873-L898 HydrophobicContact CB-CD2 4.39Å; A873-L898 HydrophobicContact CB-CG 4.11Å; W886-L898 HydrophobicContact CH2-CD2 4.2Å; W886-L898 HydrophobicContact CZ3-CD2 4.49Å; S894-L898 WeakPolarHBondContact O-CB 3.34Å; S894-L898 PolarHBondContact O-N 3.38Å; L895-L898 WeakPolarHBondContact O-CB 3.48Å; L895-L898 PolarHBondContact O-N 2.83Å; L898-S902 WeakPolarHBondContact O-CB 3.35Å; L898-S902 PolarHBondContact O-N 3.06Å |
| 899 | Q | 83.9 | Confident | 79.1 | Confident | 61 Ų | 61 | 85 Ų | 85 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 179.6 | -175.1 | 178.8 | -18 | 0 | 0 | 111.5 | L895 Q896 R897 E901 S902 E903 | L895-Q899 PolarHBondContact O-N 3.27Å; Q896-Q899 PolarHBondContact O-N 3.45Å; R897-Q899 PolarHBondContact O-N 2.76Å; Q899-E901 PolarHBondContact O-N 3.09Å; Q899-S902 WeakPolarHBondContact O-CB 3.46Å; Q899-S902 PolarHBondContact O-N 3.43Å; Q899-E903 WeakPolarHBondContact CG-OE1 3.36Å; Q899-E903 PolarHBondContact NE2-OE1 3.28Å; Q899-E903 WeakPolarHBondContact O-CG 3.46Å; Q899-E903 PolarHBondContact O-N 3.04Å |
| 900 | K | 86 | Confident | 80.6 | Confident | 139 Ų | 139 | 80.9 Ų | 80.9 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 178.9 | -176.2 | 179 | 179.3 | -178.4 | 0 | 112.4 | Q896 R897 E903 I904 | Q896-K900 WeakPolarHBondContact O-CB 3.38Å; Q896-K900 PolarHBondContact O-N 2.96Å; R897-K900 PolarHBondContact O-N 2.95Å; K900-E903 PolarHBondContact O-N 3.22Å; K900-I904 HydrophobicContact CG-CD1 4.04Å; K900-I904 WeakPolarHBondContact O-CD1 3.29Å; K900-I904 VanDerWaalsContact O-CG1 3.25Å; K900-I904 WeakPolarHBondContact O-CG1 3.46Å; K900-I904 PolarHBondContact O-N 3.21Å |
| 901 | E | 88 | Confident | 81.9 | Confident | 73 Ų | 73 | 79 Ų | 79 | 34% | 0.341 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.4 | -171.5 | -171.1 | 148.3 | 0 | 0 | 111 | A761 H762 R897 Q899 E903 I904 L905 | A761-E901 VanDerWaalsContact CA-OE1 3.25Å; A761-E901 WeakPolarHBondContact CA-OE1 3.33Å; A761-E901 HydrophobicContact CB-CB 3.86Å; A761-E901 HydrophobicContact CB-CG 3.83Å; H762-E901 PolarHBondContact N-OE1 3.15Å; R897-E901 WeakPolarHBondContact O-CB 3.5Å; R897-E901 PolarHBondContact O-N 2.87Å; Q899-E901 PolarHBondContact O-N 3.09Å; E901-E903 PolarHBondContact O-N 3.07Å; E901-I904 PolarHBondContact O-N 3.27Å; E901-L905 HydrophobicContact CG-CD1 4.18Å; E901-L905 WeakPolarHBondContact O-CB 3.39Å; E901-L905 WeakPolarHBondContact O-CG 3.42Å; E901-L905 PolarHBondContact O-N 3.38Å |
| 902 | S | 91.8 | Very high | 83.1 | Confident | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.028 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 175.7 | -175.8 | 0 | 0 | 0 | 0 | 112 | F870 A872 A873 L898 Q899 L905 Q906 | F870-S902 WeakPolarHBondContact CZ-O 3.48Å; A872-S902 WeakPolarHBondContact CA-OG 3.41Å; A873-S902 PolarHBondContact N-OG 2.98Å; L898-S902 WeakPolarHBondContact O-CB 3.35Å; L898-S902 PolarHBondContact O-N 3.06Å; Q899-S902 WeakPolarHBondContact O-CB 3.46Å; Q899-S902 PolarHBondContact O-N 3.43Å; S902-L905 PolarHBondContact O-N 3.28Å; S902-Q906 VanDerWaalsContact O-CB 3.3Å; S902-Q906 WeakPolarHBondContact O-CB 3.41Å; S902-Q906 PolarHBondContact O-N 3.5Å |
| 903 | E | 89.1 | Confident | 84.4 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 177.3 | -72.6 | 172.3 | -167.5 | 0 | 0 | 112.1 | Q899 K900 E901 K907 | Q899-E903 WeakPolarHBondContact CG-OE1 3.36Å; Q899-E903 PolarHBondContact NE2-OE1 3.28Å; Q899-E903 WeakPolarHBondContact O-CG 3.46Å; Q899-E903 PolarHBondContact O-N 3.04Å; K900-E903 PolarHBondContact O-N 3.22Å; E901-E903 PolarHBondContact O-N 3.07Å; E903-K907 WeakPolarHBondContact O-CB 3.34Å; E903-K907 PolarHBondContact O-N 2.83Å |
| 904 | I | 87.5 | Confident | 85.4 | Confident | 93 Ų | 93 | 68 Ų | 68 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 176.2 | -70.2 | 165.1 | 0 | 0 | 0 | 110.9 | K900 E901 K907 T908 | K900-I904 HydrophobicContact CG-CD1 4.04Å; K900-I904 WeakPolarHBondContact O-CD1 3.29Å; K900-I904 VanDerWaalsContact O-CG1 3.25Å; K900-I904 WeakPolarHBondContact O-CG1 3.46Å; K900-I904 PolarHBondContact O-N 3.21Å; E901-I904 PolarHBondContact O-N 3.27Å; I904-K907 PolarHBondContact O-N 3.46Å; I904-T908 WeakPolarHBondContact O-CB 3.49Å; I904-T908 PolarHBondContact O-N 3.48Å; I904-T908 PolarHBondContact O-OG1 2.86Å |
| 905 | L | 88.1 | Confident | 86.3 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 178.6 | -73.2 | 170.9 | 0 | 0 | 0 | 111.2 | A761 P853 F870 E901 S902 T908 Y909 | A761-L905 HydrophobicContact CB-CD1 4.34Å; P853-L905 HydrophobicContact CG-CD2 3.9Å; F870-L905 HydrophobicContact CE2-CB 3.68Å; F870-L905 HydrophobicContact CE2-CD1 4.36Å; F870-L905 HydrophobicContact CZ-CB 3.96Å; E901-L905 HydrophobicContact CG-CD1 4.18Å; E901-L905 WeakPolarHBondContact O-CB 3.39Å; E901-L905 WeakPolarHBondContact O-CG 3.42Å; E901-L905 PolarHBondContact O-N 3.38Å; S902-L905 PolarHBondContact O-N 3.28Å; L905-T908 PolarHBondContact O-N 2.9Å; L905-Y909 HydrophobicContact CD2-CD2 4.02Å; L905-Y909 HydrophobicContact CD2-CE2 4.01Å; L905-Y909 PolarHBondContact O-N 3.42Å |
| 906 | Q | 89.4 | Confident | 87.2 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 177.5 | -169 | 174 | 0.6 | 0 | 0 | 111.3 | F870 S902 T908 A910 F913 | F870-Q906 HydrophobicContact CD1-CB 4.39Å; F870-Q906 HydrophobicContact CD1-CG 4.38Å; F870-Q906 HydrophobicContact CE1-CB 3.68Å; F870-Q906 HydrophobicContact CE1-CG 4.08Å; F870-Q906 HydrophobicContact CZ-CB 3.99Å; S902-Q906 VanDerWaalsContact O-CB 3.3Å; S902-Q906 WeakPolarHBondContact O-CB 3.41Å; S902-Q906 PolarHBondContact O-N 3.5Å; Q906-T908 PolarHBondContact O-N 3.14Å; Q906-A910 WeakPolarHBondContact O-CB 3.48Å; Q906-A910 PolarHBondContact O-N 3.11Å; Q906-F913 HydrophobicContact CG-CE2 4.38Å |
| 907 | K | 84.5 | Confident | 88 | Confident | 189 Ų | 189 | 63.9 Ų | 63.9 | 82% | 0.822 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.9 | -31.3 | 178.9 | -176 | 175.2 | -178.1 | 175.7 | 0 | 113.5 | E903 I904 | E903-K907 WeakPolarHBondContact O-CB 3.34Å; E903-K907 PolarHBondContact O-N 2.83Å; I904-K907 PolarHBondContact O-N 3.46Å |
| 908 | T | 84 | Confident | 88.5 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 43% | 0.429 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -88.7 | -40.8 | -174.8 | -50.4 | 0 | 0 | 0 | 0 | 112 | I904 L905 Q906 H911 | I904-T908 WeakPolarHBondContact O-CB 3.49Å; I904-T908 PolarHBondContact O-N 3.48Å; I904-T908 PolarHBondContact O-OG1 2.86Å; L905-T908 PolarHBondContact O-N 2.9Å; Q906-T908 PolarHBondContact O-N 3.14Å; T908-H911 PolarHBondContact O-CE1 2.84Å; T908-H911 PolarHBondContact O-ND1 3.42Å |
| 909 | Y | 87.6 | Confident | 88.6 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -116.7 | 6.4 | -167.7 | -57.9 | -69.9 | 0 | 0 | 0 | 115.1 | P853 L905 H911 Y912 F913 | P853-Y909 HydrophobicContact CB-CD1 3.8Å; P853-Y909 HydrophobicContact CB-CD2 3.65Å; P853-Y909 HydrophobicContact CB-CE1 3.86Å; P853-Y909 HydrophobicContact CB-CE2 3.71Å; P853-Y909 HydrophobicContact CB-CG 3.69Å; P853-Y909 HydrophobicContact CG-CD2 3.65Å; P853-Y909 HydrophobicContact CG-CE2 3.73Å; P853-Y909 HydrophobicContact CG-CG 4.15Å; L905-Y909 HydrophobicContact CD2-CD2 4.02Å; L905-Y909 HydrophobicContact CD2-CE2 4.01Å; L905-Y909 PolarHBondContact O-N 3.42Å; Y909-H911 PolarHBondContact O-N 2.39Å; Y909-Y912 HydrophobicContact CD1-CD2 4.08Å; Y909-Y912 HydrophobicContact CD1-CE2 4.16Å; Y909-Y912 PolarHBondContact O-N 2.8Å; Y909-F913 WeakPolarHBondContact O-CD1 3.19Å; Y909-F913 WeakPolarHBondContact O-CE1 3.49Å |
| 910 | A | 87.8 | Confident | 88.6 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -46.9 | -34.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q906 Y912 F913 | Q906-A910 WeakPolarHBondContact O-CB 3.48Å; Q906-A910 PolarHBondContact O-N 3.11Å; A910-Y912 PolarHBondContact O-N 3.14Å; A910-F913 HydrophobicContact CB-CD2 4.44Å; A910-F913 HydrophobicContact CB-CE2 4.46Å; A910-F913 PolarHBondContact O-N 3.13Å; A910-F913 VanDerWaalsContact O-N 3.13Å |
| 911 | H | 86.8 | Confident | 88.6 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 12% | 0.116 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -63.7 | -26.4 | -179.8 | 66 | -90.3 | 0 | 0 | 0 | 114.1 | Q634 V656 V740 T908 Y909 | Q634-H911 HydrophobicContact CB-CB 4.26Å; Q634-H911 WeakPolarHBondContact O-CB 3.38Å; Q634-H911 PolarHBondContact OE1-O 3.43Å; V656-H911 VanDerWaalsContact CG1-CA 3.44Å; V656-H911 HydrophobicContact CG1-CB 4Å; V740-H911 HydrophobicContact CG1-CB 4.06Å; T908-H911 PolarHBondContact O-CE1 2.84Å; T908-H911 PolarHBondContact O-ND1 3.42Å; Y909-H911 PolarHBondContact O-N 2.39Å |
| 912 | Y | 88.4 | Confident | 88.4 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -83.1 | -15.4 | 174.7 | -68.5 | -43.8 | 0 | 0 | 0 | 114.7 | D738 L856 R860 V868 Y909 A910 | D738-Y912 PolarHBondContact OD1-OH 3.32Å; D738-Y912 PolarHBondContact OD2-OH 3.48Å; L856-Y912 HydrophobicContact CB-CD2 4.49Å; L856-Y912 HydrophobicContact CD1-CD2 3.64Å; L856-Y912 HydrophobicContact CD1-CE2 4.46Å; L856-Y912 HydrophobicContact CD1-CG 3.7Å; R860-Y912 VanDerWaalsContact CD-CD1 3.42Å; R860-Y912 PolarHBondContact NH1-O 2.93Å; V868-Y912 WeakPolarHBondContact CB-O 3.44Å; Y909-Y912 HydrophobicContact CD1-CD2 4.08Å; Y909-Y912 HydrophobicContact CD1-CE2 4.16Å; Y909-Y912 PolarHBondContact O-N 2.8Å; A910-Y912 PolarHBondContact O-N 3.14Å |
| 913 | F | 91.3 | Very high | 88.2 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | trans | -80.9 | 127.2 | -171.9 | -50.8 | -18.9 | 0 | 0 | 0 | 110.9 | L759 V868 F870 Q906 Y909 A910 | L759-F913 HydrophobicContact CD1-CD1 4.26Å; L759-F913 HydrophobicContact CD1-CE1 3.79Å; V868-F913 HydrophobicContact CG1-CD1 4.02Å; F870-F913 HydrophobicContact CB-CB 4.45Å; F870-F913 HydrophobicContact CB-CD1 3.98Å; F870-F913 HydrophobicContact CB-CD2 3.3Å; F870-F913 HydrophobicContact CB-CE1 4.01Å; F870-F913 HydrophobicContact CB-CE2 3.33Å; F870-F913 HydrophobicContact CB-CG 3.66Å; F870-F913 HydrophobicContact CB-CZ 3.72Å; F870-F913 HydrophobicContact CD1-CD2 4.21Å; F870-F913 AromaticContact CD1-CE2 3.64Å; F870-F913 HydrophobicContact CD1-CE2 3.64Å; F870-F913 HydrophobicContact CD1-CZ 4.27Å; F870-F913 HydrophobicContact CD2-CD2 4.44Å; F870-F913 HydrophobicContact CD2-CE1 4Å; F870-F913 AromaticContact CD2-CE2 3.6Å; F870-F913 HydrophobicContact CD2-CE2 3.6Å; F870-F913 AromaticContact CD2-CZ 3.34Å; F870-F913 HydrophobicContact CD2-CZ 3.34Å; F870-F913 HydrophobicContact CE1-CE2 4.34Å; F870-F913 HydrophobicContact CE2-CE2 4.3Å; F870-F913 AromaticContact CE2-CZ 4Å; F870-F913 HydrophobicContact CE2-CZ 4Å; F870-F913 AromaticContact CG-CD2 3.76Å; F870-F913 HydrophobicContact CG-CD2 3.76Å; F870-F913 HydrophobicContact CG-CE1 4.23Å; F870-F913 AromaticContact CG-CE2 3.22Å; F870-F913 HydrophobicContact CG-CE2 3.22Å; F870-F913 HydrophobicContact CG-CG 4.46Å; F870-F913 AromaticContact CG-CZ 3.51Å; F870-F913 HydrophobicContact CG-CZ 3.51Å; Q906-F913 HydrophobicContact CG-CE2 4.38Å; Y909-F913 WeakPolarHBondContact O-CD1 3.19Å; Y909-F913 WeakPolarHBondContact O-CE1 3.49Å; A910-F913 HydrophobicContact CB-CD2 4.44Å; A910-F913 HydrophobicContact CB-CE2 4.46Å; A910-F913 PolarHBondContact O-N 3.13Å; A910-F913 VanDerWaalsContact O-N 3.13Å | ||
| 914 | D | 90.4 | Very high | 88.3 | Confident | 52 Ų | 52 | 62 Ų | 62 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75.6 | -28.2 | 165.2 | -65.7 | -93.1 | 0 | 0 | 0 | 111.1 | R753 Y867 V868 | R753-D914 IonicContact CZ-OD1 2.71Å; R753-D914 VanDerWaalsContact CZ-OD1 3.27Å; R753-D914 VanDerWaalsContact NH1-CG 3.32Å; R753-D914 IonicContact NH1-OD1 2.64Å; R753-D914 PolarHBondContact NH1-OD1 3.25Å; R753-D914 IonicContact NH1-OD2 3.37Å; R753-D914 PolarHBondContact NH1-OD2 3.41Å; R753-D914 VanDerWaalsContact NH1-OD2 3.09Å; R753-D914 IonicContact NH2-OD1 2.74Å; R753-D914 PolarHBondContact NH2-OD1 3.5Å; Y867-D914 WeakPolarHBondContact CA-OD2 3.39Å; Y867-D914 HydrophobicContact CD2-CB 3.56Å; Y867-D914 HydrophobicContact CE2-CB 3.26Å; Y867-D914 HydrophobicContact CG-CB 4.48Å; V868-D914 PolarHBondContact N-OD2 3.37Å; V868-D914 PolarHBondContact O-N 3.09Å |
| 915 | M | 91.4 | Very high | 88.5 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 20% | 0.202 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 152.2 | 179.4 | -178.3 | 170.5 | 58 | 0 | 0 | 112.3 | Y867 V868 V869 F870 I917 L929 S932 | Y867-M915 HydrophobicContact CE1-CE 4.12Å; V868-M915 PolarHBondContact O-N 3.36Å; V869-M915 WeakPolarHBondContact CA-O 3.4Å; V869-M915 HydrophobicContact CB-CE 4.47Å; V869-M915 HydrophobicContact CG1-CB 4.32Å; V869-M915 HydrophobicContact CG1-CE 3.79Å; V869-M915 HydrophobicContact CG1-CG 4.45Å; V869-M915 HydrophobicContact CG2-CB 4.41Å; V869-M915 HydrophobicContact CG2-CE 3.79Å; F870-M915 PolarHBondContact N-O 2.95Å; M915-I917 HydrophobicContact CE-CD1 3.72Å; M915-I917 HydrophobicContact CE-CG1 4.13Å; M915-I917 HydrophobicContact CG-CG1 4.25Å; M915-I917 HydrophobicContact SD-CD1 4.3Å; M915-I917 HydrophobicContact SD-CG1 4.18Å; M915-L929 HydrophobicContact CE-CD2 4.25Å; M915-S932 WeakPolarHBondContact CE-OG 3.44Å |
| 916 | T | 92.6 | Very high | 88.7 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.2 | 168.8 | -67.1 | 0 | 0 | 0 | 0 | 110 | F870 A872 | F870-T916 HydrophobicContact CD1-CG2 3.93Å; F870-T916 CarbonylContact O-C 3.59Å; F870-T916 WeakPolarHBondContact O-CA 3.43Å; A872-T916 HydrophobicContact CB-CG2 4.21Å |
| 917 | I | 93.1 | Very high | 88.9 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.6 | 173.8 | -57.6 | 171.9 | 0 | 0 | 0 | 108.9 | V869 F870 I871 A872 M915 T925 H928 L929 | V869-I917 HydrophobicContact CG1-CD1 4.06Å; V869-I917 HydrophobicContact CG1-CG1 4.22Å; F870-I917 PolarHBondContact O-N 3.42Å; I871-I917 WeakPolarHBondContact CA-O 3.36Å; I871-I917 HydrophobicContact CD1-CB 4.45Å; A872-I917 PolarHBondContact N-O 3.25Å; M915-I917 HydrophobicContact CE-CD1 3.72Å; M915-I917 HydrophobicContact CE-CG1 4.13Å; M915-I917 HydrophobicContact CG-CG1 4.25Å; M915-I917 HydrophobicContact SD-CD1 4.3Å; M915-I917 HydrophobicContact SD-CG1 4.18Å; I917-T925 HydrophobicContact CG2-CG2 3.97Å; I917-H928 HydrophobicContact CD1-CB 4.02Å; I917-L929 HydrophobicContact CD1-CD2 4.02Å; I917-L929 HydrophobicContact CD1-CG 3.86Å |
| 918 | I | 91.5 | Very high | 89.2 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 40% | 0.395 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.9 | 171.6 | -60.3 | 171.3 | 0 | 0 | 0 | 107.9 | A872 N920 | A872-I918 HydrophobicContact CB-CG1 4.28Å; I918-N920 VanDerWaalsContact C-N 3.26Å; I918-N920 WeakPolarHBondContact CG2-OD1 3.41Å; I918-N920 PolarHBondContact O-N 2.94Å |
| 919 | N | 88.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -80.1 | 70.7 | -176.7 | -176.5 | 17.3 | 0 | 0 | 0 | 112.1 | V764 I871 A872 P874 E921 I922 T925 | V764-N919 PolarHBondContact O-ND2 3.41Å; I871-N919 HydrophobicContact CG2-CB 3.65Å; A872-N919 PolarHBondContact O-N 3Å; P874-N919 WeakPolarHBondContact CG-O 3.41Å; N919-E921 VanDerWaalsContact OD1-C 3.29Å; N919-E921 PolarHBondContact OD1-O 3.23Å; N919-I922 PolarHBondContact OD1-N 2.94Å; N919-T925 PolarHBondContact OD1-OG1 3.12Å; N919-T925 VanDerWaalsContact OD1-OG1 3.1Å | ||
| 920 | N | 83.7 | Confident | 89.9 | Confident | 74 Ų | 74 | 46.8 Ų | 46.8 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.3 | -44.6 | 169.5 | -65.3 | -36.8 | 0 | 0 | 0 | 110.5 | P874 T875 P884 I918 | P874-N920 WeakPolarHBondContact CA-OD1 3.47Å; T875-N920 PolarHBondContact N-OD1 2.79Å; P884-N920 VanDerWaalsContact CB-O 3.29Å; P884-N920 WeakPolarHBondContact CB-O 3.45Å; P884-N920 WeakPolarHBondContact CG-O 3.43Å; I918-N920 VanDerWaalsContact C-N 3.26Å; I918-N920 WeakPolarHBondContact CG2-OD1 3.41Å; I918-N920 PolarHBondContact O-N 2.94Å |
| 921 | E | 84.3 | Confident | 90 | Very high | 129 Ų | 129 | 49.9 Ų | 49.9 | 60% | 0.603 | 24% | 0.244 | S | C | * | . | trans | -133.1 | 134.9 | 176.3 | -65.3 | -174.2 | -176.7 | 0 | 0 | 110.5 | N919 E924 T925 | N919-E921 VanDerWaalsContact OD1-C 3.29Å; N919-E921 PolarHBondContact OD1-O 3.23Å; E921-E924 HydrophobicContact CB-CB 4.33Å; E921-T925 WeakPolarHBondContact O-CB 3.37Å; E921-T925 PolarHBondContact O-N 2.83Å; E921-T925 PolarHBondContact O-OG1 2.9Å | ||
| 922 | I | 85.4 | Confident | 90.3 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | -171.8 | -71.4 | 175.2 | 0 | 0 | 0 | 111.2 | I769 W886 N919 T925 I926 | I769-I922 HydrophobicContact CG1-CG2 4.25Å; W886-I922 HydrophobicContact CG-CD1 4.35Å; N919-I922 PolarHBondContact OD1-N 2.94Å; I922-T925 WeakPolarHBondContact O-CB 3.37Å; I922-T925 PolarHBondContact O-N 3.27Å; I922-I926 HydrophobicContact CG2-CD1 3.83Å; I922-I926 WeakPolarHBondContact O-CG1 3.41Å; I922-I926 PolarHBondContact O-N 3.47Å |
| 923 | D | 87.2 | Confident | 90.3 | Very high | 122 Ų | 122 | 48.6 Ų | 48.6 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.1 | -41.2 | -178.1 | -61 | -56.5 | 0 | 0 | 0 | 111.8 | I926 R927 | D923-I926 PolarHBondContact O-N 3.44Å; D923-R927 PolarHBondContact O-N 3Å |
| 924 | E | 90.1 | Very high | 90.1 | Very high | 80 Ų | 80 | 50.9 Ų | 50.9 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 172.1 | -80.8 | -68.6 | 108.8 | 0 | 0 | 112.5 | E921 I926 R927 H928 | E921-E924 HydrophobicContact CB-CB 4.33Å; E924-I926 VanDerWaalsContact C-N 3.34Å; E924-R927 PolarHBondContact O-N 3.03Å; E924-R927 IonicContact OE1-CZ 3.84Å; E924-R927 IonicContact OE1-NE 3.83Å; E924-R927 PolarHBondContact OE1-NE 3.36Å; E924-R927 IonicContact OE1-NH2 3.71Å; E924-R927 PolarHBondContact OE1-NH2 3.32Å; E924-R927 IonicContact OE2-CZ 2.7Å; E924-R927 IonicContact OE2-NE 3.98Å; E924-R927 IonicContact OE2-NH2 2.76Å; E924-R927 PolarHBondContact OE2-NH2 3.44Å; E924-H928 PolarHBondContact O-N 3.18Å; E924-H928 PolarHBondContact O-ND1 3.05Å; E924-H928 IonicContact OE2-CE1 2.97Å |
| 925 | T | 91.8 | Very high | 90 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | I769 I871 I917 N919 E921 I922 L929 | I769-T925 HydrophobicContact CD1-CG2 3.73Å; I871-T925 HydrophobicContact CD1-CG2 4.08Å; I917-T925 HydrophobicContact CG2-CG2 3.97Å; N919-T925 PolarHBondContact OD1-OG1 3.12Å; N919-T925 VanDerWaalsContact OD1-OG1 3.1Å; E921-T925 WeakPolarHBondContact O-CB 3.37Å; E921-T925 PolarHBondContact O-N 2.83Å; E921-T925 PolarHBondContact O-OG1 2.9Å; I922-T925 WeakPolarHBondContact O-CB 3.37Å; I922-T925 PolarHBondContact O-N 3.27Å; T925-L929 HydrophobicContact CG2-CD1 4.29Å; T925-L929 WeakPolarHBondContact O-CG 3.45Å; T925-L929 PolarHBondContact O-N 3.04Å |
| 926 | I | 92.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.9 | -69.1 | 162.5 | 0 | 0 | 0 | 110.5 | I769 T772 L773 I922 D923 E924 H928 L929 E930 | I769-I926 HydrophobicContact CB-CG1 4.42Å; I769-I926 HydrophobicContact CG1-CG1 4.29Å; I769-I926 HydrophobicContact CG2-CG1 4.09Å; T772-I926 HydrophobicContact CG2-CD1 3.75Å; L773-I926 HydrophobicContact CD2-CG2 4.01Å; I922-I926 HydrophobicContact CG2-CD1 3.83Å; I922-I926 WeakPolarHBondContact O-CG1 3.41Å; I922-I926 PolarHBondContact O-N 3.47Å; D923-I926 PolarHBondContact O-N 3.44Å; E924-I926 VanDerWaalsContact C-N 3.34Å; I926-H928 PolarHBondContact O-N 3.03Å; I926-L929 WeakPolarHBondContact O-CB 3.18Å; I926-L929 PolarHBondContact O-N 3.28Å; I926-L929 VanDerWaalsContact O-N 3.16Å; I926-E930 HydrophobicContact CG2-CG 4.42Å; I926-E930 WeakPolarHBondContact O-CG 3.24Å; I926-E930 PolarHBondContact O-N 2.7Å |
| 927 | R | 92.8 | Very high | 89 | Confident | 80 Ų | 80 | 51.4 Ų | 51.4 | 30% | 0.302 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 177.5 | -171.5 | -177.3 | 62.3 | 65.7 | 6.3 | 111.9 | D923 E924 L929 E930 E931 | D923-R927 PolarHBondContact O-N 3Å; E924-R927 PolarHBondContact O-N 3.03Å; E924-R927 IonicContact OE1-CZ 3.84Å; E924-R927 IonicContact OE1-NE 3.83Å; E924-R927 PolarHBondContact OE1-NE 3.36Å; E924-R927 IonicContact OE1-NH2 3.71Å; E924-R927 PolarHBondContact OE1-NH2 3.32Å; E924-R927 IonicContact OE2-CZ 2.7Å; E924-R927 IonicContact OE2-NE 3.98Å; E924-R927 IonicContact OE2-NH2 2.76Å; E924-R927 PolarHBondContact OE2-NH2 3.44Å; R927-L929 VanDerWaalsContact C-N 3.34Å; R927-L929 PolarHBondContact O-N 3.16Å; R927-E930 PolarHBondContact O-N 2.84Å; R927-E931 WeakPolarHBondContact CG-OE1 3.32Å; R927-E931 IonicContact CZ-OE1 3.12Å; R927-E931 IonicContact NH1-OE1 3.07Å; R927-E931 PolarHBondContact NH1-OE1 3.42Å; R927-E931 IonicContact NH1-OE2 2.96Å; R927-E931 PolarHBondContact NH1-OE2 2.93Å; R927-E931 WeakPolarHBondContact O-CG 3.29Å; R927-E931 PolarHBondContact O-N 3.48Å |
| 928 | H | 92.6 | Very high | 88.5 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 176.5 | -69.9 | 130.2 | 0 | 0 | 0 | 113.2 | I917 E924 I926 S932 | I917-H928 HydrophobicContact CD1-CB 4.02Å; E924-H928 PolarHBondContact O-N 3.18Å; E924-H928 PolarHBondContact O-ND1 3.05Å; E924-H928 IonicContact OE2-CE1 2.97Å; I926-H928 PolarHBondContact O-N 3.03Å; H928-S932 WeakPolarHBondContact O-CB 3.49Å; H928-S932 PolarHBondContact O-N 3.24Å |
| 929 | L | 93.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 173.8 | -79.2 | 168.1 | 0 | 0 | 0 | 112.2 | L758 I769 L773 V869 I871 M915 I917 T925 I926 R927 M933 | L758-L929 HydrophobicContact CD2-CD1 4.28Å; L758-L929 HydrophobicContact CD2-CD2 4.26Å; I769-L929 HydrophobicContact CG2-CD1 3.41Å; I769-L929 VanDerWaalsContact CG2-CD1 3.41Å; L773-L929 HydrophobicContact CD1-CD1 4.36Å; V869-L929 HydrophobicContact CB-CD2 3.98Å; V869-L929 HydrophobicContact CG1-CD2 3.78Å; V869-L929 HydrophobicContact CG2-CD2 3.8Å; I871-L929 HydrophobicContact CD1-CD1 4.45Å; M915-L929 HydrophobicContact CE-CD2 4.25Å; I917-L929 HydrophobicContact CD1-CD2 4.02Å; I917-L929 HydrophobicContact CD1-CG 3.86Å; T925-L929 HydrophobicContact CG2-CD1 4.29Å; T925-L929 WeakPolarHBondContact O-CG 3.45Å; T925-L929 PolarHBondContact O-N 3.04Å; I926-L929 WeakPolarHBondContact O-CB 3.18Å; I926-L929 PolarHBondContact O-N 3.28Å; I926-L929 VanDerWaalsContact O-N 3.16Å; R927-L929 VanDerWaalsContact C-N 3.34Å; R927-L929 PolarHBondContact O-N 3.16Å; L929-M933 WeakPolarHBondContact O-CB 3.23Å; L929-M933 WeakPolarHBondContact O-CG 3.41Å; L929-M933 PolarHBondContact O-N 3.26Å |
| 930 | E | 91.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -53.7 | 176.7 | -69.9 | 173.8 | 151.9 | 0 | 0 | 110.9 | L773 K776 H777 I926 R927 S932 M933 D934 | L773-E930 HydrophobicContact CD2-CG 3.88Å; K776-E930 WeakPolarHBondContact CD-OE1 3.46Å; K776-E930 VanDerWaalsContact CE-OE1 3.25Å; K776-E930 WeakPolarHBondContact CE-OE1 3.38Å; K776-E930 IonicContact NZ-OE1 3.93Å; K776-E930 PolarHBondContact NZ-OE1 3.1Å; K776-E930 IonicContact NZ-OE2 3.17Å; K776-E930 PolarHBondContact NZ-OE2 3.46Å; H777-E930 IonicContact CD2-OE1 3.2Å; H777-E930 IonicContact CE1-OE1 2.64Å; H777-E930 IonicContact NE2-OE1 2.67Å; H777-E930 PolarHBondContact NE2-OE1 3.4Å; I926-E930 HydrophobicContact CG2-CG 4.42Å; I926-E930 WeakPolarHBondContact O-CG 3.24Å; I926-E930 PolarHBondContact O-N 2.7Å; R927-E930 PolarHBondContact O-N 2.84Å; E930-S932 VanDerWaalsContact C-N 3.32Å; E930-S932 PolarHBondContact O-N 2.86Å; E930-M933 PolarHBondContact O-N 3.33Å; E930-D934 PolarHBondContact O-N 3.11Å; E930-D934 VanDerWaalsContact O-N 3.14Å |
| 931 | E | 91.8 | Very high | 88.6 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 178.3 | -72.5 | 170.3 | -173.2 | 0 | 0 | 112.4 | R927 D934 L935 | R927-E931 WeakPolarHBondContact CG-OE1 3.32Å; R927-E931 IonicContact CZ-OE1 3.12Å; R927-E931 IonicContact NH1-OE1 3.07Å; R927-E931 PolarHBondContact NH1-OE1 3.42Å; R927-E931 IonicContact NH1-OE2 2.96Å; R927-E931 PolarHBondContact NH1-OE2 2.93Å; R927-E931 WeakPolarHBondContact O-CG 3.29Å; R927-E931 PolarHBondContact O-N 3.48Å; E931-D934 PolarHBondContact O-N 2.92Å; E931-L935 WeakPolarHBondContact O-CB 3.45Å; E931-L935 PolarHBondContact O-N 2.76Å |
| 932 | S | 91.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 12% | 0.119 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 179.5 | -164.6 | 0 | 0 | 0 | 0 | 112.7 | Y867 M915 H928 E930 D934 L935 V936 | Y867-S932 PolarHBondContact OH-OG 2.81Å; M915-S932 WeakPolarHBondContact CE-OG 3.44Å; H928-S932 WeakPolarHBondContact O-CB 3.49Å; H928-S932 PolarHBondContact O-N 3.24Å; E930-S932 VanDerWaalsContact C-N 3.32Å; E930-S932 PolarHBondContact O-N 2.86Å; S932-D934 VanDerWaalsContact C-N 3.34Å; S932-D934 PolarHBondContact O-N 2.83Å; S932-L935 PolarHBondContact O-N 2.71Å; S932-V936 VanDerWaalsContact O-CB 3.27Å; S932-V936 WeakPolarHBondContact O-CB 3.43Å; S932-V936 WeakPolarHBondContact O-CG2 3.44Å; S932-V936 PolarHBondContact O-N 2.83Å |
| 933 | M | 89.8 | Confident | 89.1 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.9 | -77.9 | -61.3 | -57.5 | 0 | 0 | 112.3 | L756 V846 Y867 L929 E930 C937 | L756-M933 HydrophobicContact CB-SD 4.46Å; L756-M933 HydrophobicContact CD1-SD 4.05Å; V846-M933 HydrophobicContact CG1-CE 4.13Å; V846-M933 HydrophobicContact CG2-CE 4.39Å; Y867-M933 HydrophobicContact CD1-SD 3.51Å; Y867-M933 VanDerWaalsContact CD1-SD 3.51Å; Y867-M933 HydrophobicContact CE1-SD 4.21Å; Y867-M933 HydrophobicContact CG-SD 4.14Å; L929-M933 WeakPolarHBondContact O-CB 3.23Å; L929-M933 WeakPolarHBondContact O-CG 3.41Å; L929-M933 PolarHBondContact O-N 3.26Å; E930-M933 PolarHBondContact O-N 3.33Å; M933-C937 PolarHBondContact O-N 3.47Å; M933-C937 PolarHBondContact O-SG 2.84Å |
| 934 | D | 86.8 | Confident | 89.4 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69 | -44 | 176.4 | -71.3 | -13.8 | 0 | 0 | 0 | 111.2 | R780 E930 E931 S932 T938 | R780-D934 IonicContact CZ-OD1 2.66Å; R780-D934 IonicContact NH1-OD1 3.12Å; R780-D934 PolarHBondContact NH1-OD1 3.37Å; R780-D934 IonicContact NH1-OD2 3.94Å; R780-D934 IonicContact NH2-OD1 3.78Å; R780-D934 PolarHBondContact NH2-OD1 3.24Å; E930-D934 PolarHBondContact O-N 3.11Å; E930-D934 VanDerWaalsContact O-N 3.14Å; E931-D934 PolarHBondContact O-N 2.92Å; S932-D934 VanDerWaalsContact C-N 3.34Å; S932-D934 PolarHBondContact O-N 2.83Å; D934-T938 WeakPolarHBondContact O-CB 3.36Å; D934-T938 WeakPolarHBondContact O-CG2 3.31Å; D934-T938 PolarHBondContact O-N 2.86Å; D934-T938 PolarHBondContact O-OG1 2.55Å |
| 935 | L | 87.8 | Confident | 89.4 | Confident | 106 Ų | 106 | 40.6 Ų | 40.6 | 56% | 0.555 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.8 | -44.3 | 177 | -178.4 | 64.4 | 0 | 0 | 0 | 112.1 | E931 S932 C937 T938 S939 | E931-L935 WeakPolarHBondContact O-CB 3.45Å; E931-L935 PolarHBondContact O-N 2.76Å; S932-L935 PolarHBondContact O-N 2.71Å; L935-C937 PolarHBondContact O-N 3.28Å; L935-T938 PolarHBondContact O-N 2.65Å; L935-T938 PolarHBondContact O-OG1 2.88Å; L935-S939 WeakPolarHBondContact O-CB 3.35Å; L935-S939 PolarHBondContact O-N 3.37Å; L935-S939 PolarHBondContact O-OG 2.84Å |
| 936 | V | 85.3 | Confident | 89.1 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 179.7 | 164.1 | 0 | 0 | 0 | 0 | 110.4 | R753 Y867 S932 T938 Q941 | R753-V936 HydrophobicContact CG-CG1 3.65Å; Y867-V936 HydrophobicContact CD2-CG1 4.14Å; Y867-V936 HydrophobicContact CD2-CG2 4.15Å; Y867-V936 HydrophobicContact CE1-CG2 4.41Å; Y867-V936 HydrophobicContact CE2-CB 4.47Å; Y867-V936 HydrophobicContact CE2-CG1 4.28Å; Y867-V936 HydrophobicContact CE2-CG2 3.49Å; Y867-V936 VanDerWaalsContact CE2-CG2 3.49Å; S932-V936 VanDerWaalsContact O-CB 3.27Å; S932-V936 WeakPolarHBondContact O-CB 3.43Å; S932-V936 WeakPolarHBondContact O-CG2 3.44Å; S932-V936 PolarHBondContact O-N 2.83Å; V936-T938 PolarHBondContact O-N 1.88Å; V936-Q941 PolarHBondContact O-NE2 2.88Å |
| 937 | C | 78.8 | Confident | 89 | Confident | 46 Ų | 46 | 45.4 Ų | 45.4 | 31% | 0.311 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -19.8 | -178.7 | -64.3 | 0 | 0 | 0 | 0 | 114.1 | M933 L935 | M933-C937 PolarHBondContact O-N 3.47Å; M933-C937 PolarHBondContact O-SG 2.84Å; L935-C937 PolarHBondContact O-N 3.28Å |
| 938 | T | 81.8 | Confident | 88.5 | Confident | 109 Ų | 109 | 44.5 Ų | 44.5 | 67% | 0.669 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -109.7 | -14.7 | -173.8 | 55.6 | 0 | 0 | 0 | 0 | 114.9 | D934 L935 V936 | D934-T938 WeakPolarHBondContact O-CB 3.36Å; D934-T938 WeakPolarHBondContact O-CG2 3.31Å; D934-T938 PolarHBondContact O-N 2.86Å; D934-T938 PolarHBondContact O-OG1 2.55Å; L935-T938 PolarHBondContact O-N 2.65Å; L935-T938 PolarHBondContact O-OG1 2.88Å; V936-T938 PolarHBondContact O-N 1.88Å |
| 939 | S | 86.6 | Confident | 87.6 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -107 | 165.3 | -177.8 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | P749 L935 Q941 | P749-S939 CarbonylContact O-C 3.55Å; L935-S939 WeakPolarHBondContact O-CB 3.35Å; L935-S939 PolarHBondContact O-N 3.37Å; L935-S939 PolarHBondContact O-OG 2.84Å; S939-Q941 PolarHBondContact O-N 3.07Å |
| 940 | S | 88.6 | Confident | 87.3 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | trans | -73.3 | 119.1 | -179.6 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | L748 P749 | L748-S940 CarbonylContact O-C 3.48Å; L748-S940 WeakPolarHBondContact O-CA 3.43Å; L748-S940 WeakPolarHBondContact O-CB 3.46Å; P749-S940 WeakPolarHBondContact O-CA 3.36Å; P749-S940 PolarHBondContact O-N 3.24Å; P749-S940 PolarHBondContact O-OG 2.89Å | ||
| 941 | Q | 89.6 | Confident | 87.1 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 143.8 | -176.2 | -74.8 | 174.3 | 68.9 | 0 | 0 | 112.1 | K747 L748 F751 V936 S939 V943 | K747-Q941 CarbonylContact C-O 3.43Å; K747-Q941 WeakPolarHBondContact CA-O 3.26Å; L748-Q941 PolarHBondContact N-O 3.33Å; L748-Q941 PolarHBondContact O-N 2.93Å; F751-Q941 PolarHBondContact O-NE2 3.14Å; V936-Q941 PolarHBondContact O-NE2 2.88Å; S939-Q941 PolarHBondContact O-N 3.07Å; Q941-V943 HydrophobicContact CB-CG1 3.94Å |
| 942 | W | 90.9 | Very high | 86.9 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.6 | 158 | -71.1 | 108.2 | 0 | 0 | 0 | 108.8 | Y630 R632 I659 E676 V745 V746 K747 | Y630-W942 AromaticContact CD1-CH2 3.55Å; Y630-W942 HydrophobicContact CD1-CH2 3.55Å; Y630-W942 HydrophobicContact CD1-CZ2 4.3Å; Y630-W942 HydrophobicContact CD1-CZ3 4.19Å; Y630-W942 AromaticContact CD2-CH2 3.72Å; Y630-W942 HydrophobicContact CD2-CH2 3.72Å; Y630-W942 AromaticContact CD2-CZ3 3.86Å; Y630-W942 HydrophobicContact CD2-CZ3 3.86Å; Y630-W942 AromaticContact CE1-CH2 3.91Å; Y630-W942 HydrophobicContact CE1-CH2 3.91Å; Y630-W942 HydrophobicContact CE2-CH2 4.04Å; Y630-W942 AromaticContact CG-CH2 3.45Å; Y630-W942 HydrophobicContact CG-CH2 3.45Å; Y630-W942 VanDerWaalsContact CG-CH2 3.45Å; Y630-W942 AromaticContact CG-CZ3 3.65Å; Y630-W942 HydrophobicContact CG-CZ3 3.65Å; R632-W942 PolarHBondContact NH2-O 3.17Å; I659-W942 HydrophobicContact CD1-CB 4.07Å; I659-W942 HydrophobicContact CD1-CD2 4.39Å; I659-W942 HydrophobicContact CD1-CG 3.94Å; I659-W942 HydrophobicContact CG1-CD2 4.29Å; I659-W942 HydrophobicContact CG1-CG 3.99Å; I659-W942 HydrophobicContact CG2-CD2 4.02Å; I659-W942 HydrophobicContact CG2-CE3 4.29Å; I659-W942 HydrophobicContact CG2-CH2 4.11Å; I659-W942 HydrophobicContact CG2-CZ2 3.81Å; I659-W942 HydrophobicContact CG2-CZ3 4.34Å; E676-W942 HydrophobicContact CG-CZ2 4.25Å; E676-W942 PolarHBondContact OE2-NE1 3.33Å; V745-W942 HydrophobicContact CB-CE3 4.1Å; V745-W942 HydrophobicContact CG2-CD2 4.41Å; V745-W942 HydrophobicContact CG2-CE3 3.7Å; V745-W942 HydrophobicContact CG2-CZ3 4.24Å; V746-W942 WeakPolarHBondContact O-CA 3.27Å; K747-W942 HydrophobicContact CB-CD2 3.88Å; K747-W942 HydrophobicContact CB-CE3 3.74Å; K747-W942 HydrophobicContact CB-CH2 3.82Å; K747-W942 HydrophobicContact CB-CZ2 3.95Å; K747-W942 HydrophobicContact CB-CZ3 3.72Å; K747-W942 HydrophobicContact CD-CD2 4.31Å; K747-W942 HydrophobicContact CD-CH2 4.35Å; K747-W942 HydrophobicContact CD-CZ2 3.68Å; K747-W942 HydrophobicContact CG-CD2 3.95Å; K747-W942 HydrophobicContact CG-CE3 4.33Å; K747-W942 HydrophobicContact CG-CG 4.38Å; K747-W942 HydrophobicContact CG-CH2 4.49Å; K747-W942 HydrophobicContact CG-CZ2 4.12Å |
| 943 | V | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.6 | 178.8 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | V745 V746 L748 F751 Q941 V948 | V745-V943 CarbonylContact C-O 3.56Å; V745-V943 WeakPolarHBondContact CA-O 3.04Å; V745-V943 WeakPolarHBondContact CB-O 3.22Å; V746-V943 HydrophobicContact CG1-CG2 3.87Å; V746-V943 PolarHBondContact N-O 3.17Å; V746-V943 PolarHBondContact O-N 2.66Å; L748-V943 HydrophobicContact CD1-CG2 3.69Å; L748-V943 HydrophobicContact CG-CG2 3.89Å; F751-V943 HydrophobicContact CB-CG1 4.1Å; F751-V943 HydrophobicContact CD1-CG1 3.65Å; F751-V943 HydrophobicContact CD2-CG1 4.33Å; F751-V943 HydrophobicContact CE1-CG1 4.08Å; F751-V943 HydrophobicContact CG-CG1 3.79Å; Q941-V943 HydrophobicContact CB-CG1 3.94Å; V943-V948 HydrophobicContact CG2-CG2 3.64Å |
| 944 | P | 92.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 139.2 | 175.7 | -23.6 | 35.1 | 0 | 0 | 0 | 111.5 | E743 E744 S946 W947 | E743-P944 HydrophobicContact CG-CB 4.2Å; E743-P944 HydrophobicContact CG-CG 4.27Å; E743-P944 WeakPolarHBondContact OE1-CG 3.44Å; E744-P944 CarbonylContact O-C 3.59Å; E744-P944 WeakPolarHBondContact O-CA 3.4Å; P944-S946 PolarHBondContact O-N 3.39Å; P944-W947 HydrophobicContact CB-CD2 4.27Å; P944-W947 HydrophobicContact CB-CG 3.99Å; P944-W947 HydrophobicContact CG-CD2 3.8Å; P944-W947 HydrophobicContact CG-CE3 4.27Å; P944-W947 HydrophobicContact CG-CG 4.07Å; P944-W947 HydrophobicContact CG-CZ2 4.09Å; P944-W947 WeakPolarHBondContact O-CB 3.34Å; P944-W947 PolarHBondContact O-N 3.03Å |
| 945 | V | 89.9 | Confident | 86.4 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -57.9 | -38.9 | 177.1 | 164.9 | 0 | 0 | 0 | 0 | 110.8 | E744 V746 W947 V948 Y949 | E744-V945 HydrophobicContact CB-CB 4.4Å; E744-V945 HydrophobicContact CB-CG2 4.18Å; E744-V945 HydrophobicContact CG-CB 4.47Å; E744-V945 HydrophobicContact CG-CG2 3.83Å; E744-V945 PolarHBondContact O-N 3.32Å; V746-V945 HydrophobicContact CB-CG2 4.26Å; V746-V945 HydrophobicContact CG1-CG2 4.5Å; V945-W947 PolarHBondContact O-N 3.3Å; V945-W947 VanDerWaalsContact O-N 3.09Å; V945-V948 PolarHBondContact O-N 3.36Å; V945-Y949 HydrophobicContact CG1-CD2 3.73Å; V945-Y949 HydrophobicContact CG1-CE2 4.48Å; V945-Y949 HydrophobicContact CG1-CG 4.4Å; V945-Y949 PolarHBondContact O-N 2.85Å |
| 946 | S | 86.3 | Confident | 86.3 | Confident | 89 Ų | 89 | 54 Ų | 54 | 62% | 0.622 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -65.2 | -5.3 | 175 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | P944 | P944-S946 PolarHBondContact O-N 3.39Š|
| 947 | W | 90.3 | Very high | 86.3 | Confident | 19 Ų | 19 | 57 Ų | 57 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -94.9 | -3.1 | 172.1 | -66.8 | 11.1 | 0 | 0 | 0 | 113 | F751 R860 A862 A865 P866 P944 V945 | F751-W947 AromaticContact CE1-CE3 3.73Å; F751-W947 HydrophobicContact CE1-CE3 3.73Å; F751-W947 HydrophobicContact CE1-CZ3 4.05Å; F751-W947 HydrophobicContact CZ-CB 4.4Å; F751-W947 AromaticContact CZ-CE3 3.74Å; F751-W947 HydrophobicContact CZ-CE3 3.74Å; F751-W947 HydrophobicContact CZ-CZ3 4.48Å; R860-W947 HydrophobicContact CB-CZ2 4.48Å; R860-W947 PolarHBondContact O-NE1 3.33Å; A862-W947 HydrophobicContact CB-CB 4.3Å; A865-W947 HydrophobicContact CB-CE3 4.46Å; A865-W947 HydrophobicContact CB-CZ3 4.43Å; P866-W947 HydrophobicContact CG-CH2 4.12Å; P866-W947 HydrophobicContact CG-CZ2 4.32Å; P944-W947 HydrophobicContact CB-CD2 4.27Å; P944-W947 HydrophobicContact CB-CG 3.99Å; P944-W947 HydrophobicContact CG-CD2 3.8Å; P944-W947 HydrophobicContact CG-CE3 4.27Å; P944-W947 HydrophobicContact CG-CG 4.07Å; P944-W947 HydrophobicContact CG-CZ2 4.09Å; P944-W947 WeakPolarHBondContact O-CB 3.34Å; P944-W947 PolarHBondContact O-N 3.03Å; V945-W947 PolarHBondContact O-N 3.3Å; V945-W947 VanDerWaalsContact O-N 3.09Å |
| 948 | V | 83.6 | Confident | 87 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -33.7 | -170 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | V746 L748 V943 V945 | V746-V948 HydrophobicContact CG1-CB 4.28Å; V746-V948 HydrophobicContact CG1-CG2 3.8Å; L748-V948 HydrophobicContact CD1-CG2 3.86Å; V943-V948 HydrophobicContact CG2-CG2 3.64Å; V945-V948 PolarHBondContact O-N 3.36Å |
| 949 | Y | 73 | Confident | 87.4 | Confident | 226 Ų | 226 | 53.3 Ų | 53.3 | 89% | 0.886 | 28% | 0.284 | S | S | * | . | trans | -115.9 | 0 | -173.7 | -66 | -82.2 | 0 | 0 | 0 | 112.6 | V746 V945 | V746-Y949 HydrophobicContact CG1-CE2 4.36Å; V945-Y949 HydrophobicContact CG1-CD2 3.73Å; V945-Y949 HydrophobicContact CG1-CE2 4.48Å; V945-Y949 HydrophobicContact CG1-CG 4.4Å; V945-Y949 PolarHBondContact O-N 2.85Å |
Retrieved 949 of 949 residues in 269.3 ms
(Link to these results)