| 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 | 36.5 | Very low | 32.1 | Very low | 228 Ų | 228 | 171.8 Ų | 171.8 | 100% | 1.123 | 84% | 0.843 | S | S | * | * | 0 | 99.8 | 0 | -159.2 | 179.4 | -164.5 | 0 | 0 | 108 | K3 | M1-K3 PolarHBondContact O-N 3.09Š| |||
| 2 | F | 29.2 | Very low | 33.2 | Very low | 185 Ų | 185 | 165.4 Ų | 165.4 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | trans | -72.2 | 117.3 | 173 | -96 | -96 | 0 | 0 | 0 | 108.9 | R4 | F2-R4 HydrophobicContact CD1-CG 4.46Š| ||
| 3 | K | 30.3 | Very low | 34 | Very low | 186 Ų | 186 | 165.8 Ų | 165.8 | 81% | 0.809 | 84% | 0.835 | S | S | * | * | trans | -126.4 | 84.7 | 151.7 | -85.8 | -172.5 | 175 | -178.5 | 0 | 106.7 | M1 K5 | M1-K3 PolarHBondContact O-N 3.09Å; K3-K5 PolarHBondContact O-N 3.39Å; K3-K5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | R | 34.2 | Very low | 35.4 | Very low | 219 Ų | 219 | 158.5 Ų | 158.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -60.5 | 112.5 | 159.1 | -89.6 | -177.8 | 173.1 | -178.9 | -2.1 | 105.7 | F2 R6 | F2-R4 HydrophobicContact CD1-CG 4.46Å; R4-R6 PolarHBondContact O-N 2.93Å | ||
| 5 | K | 31.7 | Very low | 36.8 | Very low | 207 Ų | 207 | 159.2 Ų | 159.2 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | trans | -54.6 | 105 | 167.3 | -79 | 179.3 | 174.2 | 179.9 | 0 | 106.6 | K3 S7 | K3-K5 PolarHBondContact O-N 3.39Å; K3-K5 VanDerWaalsContact O-N 3.11Å; K5-S7 VanDerWaalsContact C-N 3.31Å; K5-S7 PolarHBondContact O-N 3.11Å | ||
| 6 | R | 30.8 | Very low | 38.7 | Very low | 237 Ų | 237 | 159.1 Ų | 159.1 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -63.4 | 103.2 | 159.7 | -75.3 | -175 | 176.9 | -175.8 | -1.7 | 104.9 | R4 C8 | R4-R6 PolarHBondContact O-N 2.93Å; R6-C8 PolarHBondContact O-N 2.88Å; R6-C8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | S | 30.4 | Very low | 41 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -63.7 | 109.4 | 163.1 | -169 | 0 | 0 | 0 | 0 | 105.3 | K5 I9 | K5-S7 VanDerWaalsContact C-N 3.31Å; K5-S7 PolarHBondContact O-N 3.11Å; S7-I9 PolarHBondContact O-N 3.15Å | ||
| 8 | C | 25.9 | Very low | 43.5 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -59.2 | 98.6 | 161.5 | -77 | 0 | 0 | 0 | 0 | 105.8 | R6 L10 | R6-C8 PolarHBondContact O-N 2.88Å; R6-C8 VanDerWaalsContact O-N 3.15Å; C8-L10 PolarHBondContact O-N 3.07Å; C8-L10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | I | 34.2 | Very low | 46.1 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 80% | 0.795 | 71% | 0.709 | S | S | * | * | trans | -57.1 | 118.8 | 156.5 | -61.1 | 174.1 | 0 | 0 | 0 | 103.4 | S7 A11 | S7-I9 PolarHBondContact O-N 3.15Å; I9-A11 PolarHBondContact O-N 3.16Å | ||
| 10 | L | 32.4 | Very low | 48.5 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 67% | 0.674 | S | S | * | * | trans | -40.2 | 119.7 | 171 | -76.6 | 155 | 0 | 0 | 0 | 107 | C8 A12 | C8-L10 PolarHBondContact O-N 3.07Å; C8-L10 VanDerWaalsContact O-N 3.16Å; L10-A12 PolarHBondContact O-N 2.87Å | ||
| 11 | A | 37.1 | Very low | 50.7 | Low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | trans | -50.5 | 112.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | I9 E13 | I9-A11 PolarHBondContact O-N 3.16Å; A11-E13 VanDerWaalsContact C-N 3.35Å; A11-E13 PolarHBondContact O-N 2.9Å | ||
| 12 | A | 45.2 | Very low | 53.6 | Low | 95 Ų | 95 | 117.4 Ų | 117.4 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | trans | -55 | 111.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 104.3 | L10 C14 | L10-A12 PolarHBondContact O-N 2.87Å; A12-C14 PolarHBondContact O-N 2.87Å | ||
| 13 | E | 44 | Very low | 56.9 | Low | 170 Ų | 170 | 108.6 Ų | 108.6 | 79% | 0.794 | 55% | 0.55 | S | S | * | * | trans | -51.7 | 113.8 | 171.8 | -75.7 | 174.7 | 162.2 | 0 | 0 | 105.1 | A11 Q15 | A11-E13 VanDerWaalsContact C-N 3.35Å; A11-E13 PolarHBondContact O-N 2.9Å; E13-Q15 VanDerWaalsContact C-N 3.28Å; E13-Q15 PolarHBondContact O-N 2.7Å | ||
| 14 | C | 54.1 | Low | 60.2 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 43% | 0.432 | 51% | 0.512 | S | S | . | . | trans | -57.7 | 98 | 179.5 | 163.3 | 0 | 0 | 0 | 0 | 107 | A12 K16 G194 C195 | A12-C14 PolarHBondContact O-N 2.87Å; C14-K16 PolarHBondContact O-N 2.05Å; C14-K16 VanDerWaalsContact O-N 3.12Å; C14-G194 PolarHBondContact SG-O 3.48Å; C14-G194 VanDerWaalsContact SG-O 3.41Å; C14-C195 HydrophobicContact CB-CB 3.84Å; C14-C195 WeakPolarHBondContact CB-SG 3.29Å; C14-C195 PolarHBondContact O-SG 3.25Å; C14-C195 WeakPolarHBondContact SG-CA 3.33Å; C14-C195 WeakPolarHBondContact SG-CB 3.46Å; C14-C195 CovalentContact SG-SG 2.05Å; C14-C195 PolarHBondContact SG-SG 2.84Å | ||
| 15 | Q | 56 | Low | 63.2 | Low | 169 Ų | 169 | 89.3 Ų | 89.3 | 79% | 0.79 | 47% | 0.472 | S | S | * | . | trans | -74.7 | 109.4 | -179.2 | -79.6 | -178.3 | -2.2 | 0 | 0 | 106.8 | E13 K17 | E13-Q15 VanDerWaalsContact C-N 3.28Å; E13-Q15 PolarHBondContact O-N 2.7Å; Q15-K17 PolarHBondContact O-N 2.76Å | ||
| 16 | K | 66.6 | Low | 66.2 | Low | 157 Ų | 157 | 79.4 Ų | 79.4 | 68% | 0.683 | 43% | 0.429 | S | S | * | . | trans | -51.7 | 109.6 | 172.8 | -74.7 | -168.8 | -178.8 | -178.5 | 0 | 109.2 | C14 N193 | C14-K16 PolarHBondContact O-N 2.05Å; C14-K16 VanDerWaalsContact O-N 3.12Å; K16-N193 HydrophobicContact CB-CB 3.8Å; K16-N193 WeakPolarHBondContact CB-ND2 3.45Å; K16-N193 HydrophobicContact CD-CB 4.35Å; K16-N193 HydrophobicContact CG-CB 3.75Å | ||
| 17 | K | 78.7 | Confident | 69.2 | Low | 105 Ų | 105 | 68.1 Ų | 68.1 | 46% | 0.457 | 39% | 0.387 | S | S | . | . | trans | -70.5 | 143.5 | 177.5 | -66.4 | -172.6 | -171 | 175.2 | 0 | 109.9 | Q15 E118 N193 | Q15-K17 PolarHBondContact O-N 2.76Å; K17-E118 HydrophobicContact CB-CG 4.46Å; K17-E118 HydrophobicContact CD-CG 4.14Å; K17-E118 WeakPolarHBondContact CD-OE1 3.29Å; K17-E118 IonicContact NZ-OE1 3.91Å; K17-E118 PolarHBondContact NZ-OE1 3.21Å; K17-N193 PolarHBondContact O-ND2 3.45Å; K17-N193 PolarHBondContact O-OD1 3.43Å | ||
| 18 | P | 86.5 | Confident | 71.7 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | trans | -61 | 152.3 | 167 | 13.8 | -17.6 | 0 | 0 | 0 | 111 | G55 A117 E118 | P18-G55 WeakPolarHBondContact CA-O 3.33Å; P18-G55 WeakPolarHBondContact CB-O 3.45Å; P18-A117 HydrophobicContact CB-CB 3.81Å; P18-A117 HydrophobicContact CG-CB 3.81Å; P18-A117 CarbonylContact O-C 3.5Å; P18-A117 WeakPolarHBondContact O-CA 3.08Å; P18-A117 WeakPolarHBondContact O-CB 3Å; P18-E118 PolarHBondContact O-N 3.41Å | ||
| 19 | V | 91.9 | Very high | 74.2 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130 | 177.1 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | V21 G55 S56 L57 R114 E118 T191 N193 | V19-V21 HydrophobicContact CG1-CG2 3.95Å; V19-G55 PolarHBondContact N-O 3.12Å; V19-S56 WeakPolarHBondContact O-CA 3.41Å; V19-L57 PolarHBondContact O-N 2.8Å; V19-L57 VanDerWaalsContact O-N 3.1Å; V19-R114 PolarHBondContact O-NH2 2.82Å; V19-R114 VanDerWaalsContact O-NH2 3.17Å; V19-E118 WeakPolarHBondContact CA-O 3.06Å; V19-E118 HydrophobicContact CG2-CB 4.38Å; V19-T191 HydrophobicContact CG1-CG2 4.29Å; V19-N193 WeakPolarHBondContact CG2-OD1 3.33Å |
| 20 | D | 93.6 | Very high | 76.2 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.1 | 175.7 | -66 | -20 | 0 | 0 | 0 | 108.4 | I73 G113 R114 E118 K119 L120 | D20-I73 HydrophobicContact CB-CD1 3.64Å; D20-I73 HydrophobicContact CB-CG1 4.42Å; D20-G113 WeakPolarHBondContact OD2-CA 3.24Å; D20-R114 IonicContact OD1-CZ 3.86Å; D20-R114 IonicContact OD1-NE 3.99Å; D20-R114 PolarHBondContact OD1-NE 3.43Å; D20-R114 IonicContact OD1-NH2 3.57Å; D20-R114 PolarHBondContact OD1-NH2 3.44Å; D20-R114 PolarHBondContact OD2-N 3.29Å; D20-R114 IonicContact OD2-NE 2.66Å; D20-E118 PolarHBondContact N-O 2.94Å; D20-K119 HydrophobicContact CB-CD 3.81Å; D20-K119 IonicContact OD2-NZ 3.8Å; D20-K119 PolarHBondContact OD2-NZ 2.74Å; D20-L120 PolarHBondContact O-N 2.75Å |
| 21 | V | 96.1 | Very high | 78.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.8 | -177.2 | -169 | 0 | 0 | 0 | 0 | 109.7 | V19 F23 L49 L57 V58 G59 L120 V122 F187 T191 | V19-V21 HydrophobicContact CG1-CG2 3.95Å; V21-F23 HydrophobicContact CB-CE2 4.2Å; V21-F23 HydrophobicContact CG1-CD2 3.91Å; V21-F23 HydrophobicContact CG1-CE2 3.43Å; V21-F23 VanDerWaalsContact CG1-CE2 3.43Å; V21-F23 HydrophobicContact CG1-CZ 3.99Å; V21-L49 HydrophobicContact CB-CD1 4.43Å; V21-L49 HydrophobicContact CG2-CD1 4Å; V21-L49 HydrophobicContact CG2-CD2 4.1Å; V21-L57 PolarHBondContact N-O 2.84Å; V21-V58 CarbonylContact O-C 3.52Å; V21-V58 VanDerWaalsContact O-CA 3.22Å; V21-V58 WeakPolarHBondContact O-CA 3.11Å; V21-G59 PolarHBondContact O-N 2.99Å; V21-L120 CarbonylContact C-O 3.46Å; V21-L120 VanDerWaalsContact CA-O 3.28Å; V21-L120 WeakPolarHBondContact CA-O 3.22Å; V21-L120 HydrophobicContact CG1-CB 4.32Å; V21-L120 HydrophobicContact CG1-CD2 4.14Å; V21-L120 HydrophobicContact CG1-CG 4.25Å; V21-L120 HydrophobicContact CG2-CB 4.26Å; V21-L120 HydrophobicContact CG2-CD2 4.26Å; V21-V122 HydrophobicContact CG1-CG2 3.89Å; V21-F187 HydrophobicContact CG1-CE2 4.15Å; V21-F187 HydrophobicContact CG1-CZ 4.25Å; V21-F187 HydrophobicContact CG2-CZ 4.48Å; V21-T191 HydrophobicContact CG2-CG2 4.46Å |
| 22 | V | 97.4 | Very high | 81.1 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.3 | 172 | 176.4 | 0 | 0 | 0 | 0 | 109 | V24 I73 E108 I109 L120 F121 V122 | V22-V24 HydrophobicContact CG1-CG2 4.14Å; V22-I73 HydrophobicContact CG2-CD1 3.66Å; V22-E108 HydrophobicContact CG2-CB 4.21Å; V22-I109 HydrophobicContact CG2-CD1 4.39Å; V22-I109 HydrophobicContact CG2-CG1 3.74Å; V22-L120 PolarHBondContact N-O 2.85Å; V22-F121 HydrophobicContact CB-CD2 4.27Å; V22-F121 HydrophobicContact CG1-CD2 4.38Å; V22-F121 HydrophobicContact CG1-CE2 4.19Å; V22-V122 PolarHBondContact O-N 2.84Å |
| 23 | F | 98.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.4 | 169.8 | -70.8 | -97.5 | 0 | 0 | 0 | 109.8 | V21 A42 L45 I46 V58 G59 L60 V61 F86 V122 I124 F187 | V21-F23 HydrophobicContact CB-CE2 4.2Å; V21-F23 HydrophobicContact CG1-CD2 3.91Å; V21-F23 HydrophobicContact CG1-CE2 3.43Å; V21-F23 VanDerWaalsContact CG1-CE2 3.43Å; V21-F23 HydrophobicContact CG1-CZ 3.99Å; F23-A42 HydrophobicContact CD1-CB 4.37Å; F23-A42 HydrophobicContact CE1-CB 4.29Å; F23-L45 HydrophobicContact CE1-CD1 4.36Å; F23-L45 HydrophobicContact CZ-CB 4.33Å; F23-I46 HydrophobicContact CE2-CG1 4.08Å; F23-I46 HydrophobicContact CZ-CG1 4.08Å; F23-V58 HydrophobicContact CD2-CG1 3.8Å; F23-V58 HydrophobicContact CE2-CG1 4.03Å; F23-G59 PolarHBondContact N-O 3.25Å; F23-L60 HydrophobicContact CB-CD1 3.95Å; F23-L60 WeakPolarHBondContact O-CA 2.97Å; F23-V61 PolarHBondContact O-N 2.88Å; F23-F86 HydrophobicContact CB-CE1 4.2Å; F23-F86 HydrophobicContact CB-CZ 3.79Å; F23-F86 HydrophobicContact CD1-CE1 4.22Å; F23-F86 HydrophobicContact CD1-CZ 4.21Å; F23-F86 HydrophobicContact CD2-CE1 4.48Å; F23-F86 AromaticContact CD2-CZ 3.69Å; F23-F86 HydrophobicContact CD2-CZ 3.69Å; F23-F86 HydrophobicContact CE2-CZ 4.29Å; F23-F86 HydrophobicContact CG-CE1 4.06Å; F23-F86 AromaticContact CG-CZ 3.64Å; F23-F86 HydrophobicContact CG-CZ 3.64Å; F23-V122 WeakPolarHBondContact CA-O 3.24Å; F23-V122 HydrophobicContact CD1-CB 3.7Å; F23-V122 HydrophobicContact CD1-CG1 3.76Å; F23-V122 HydrophobicContact CD1-CG2 4.31Å; F23-V122 HydrophobicContact CE1-CB 3.86Å; F23-V122 HydrophobicContact CE1-CG1 3.76Å; F23-V122 HydrophobicContact CE1-CG2 4.03Å; F23-V122 HydrophobicContact CG-CB 4.26Å; F23-V122 HydrophobicContact CZ-CG2 4.28Å; F23-I124 HydrophobicContact CD1-CD1 4.25Å; F23-F187 HydrophobicContact CZ-CE2 4.17Å; F23-F187 HydrophobicContact CZ-CZ 4.15Å |
| 24 | V | 98.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 111.5 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | V22 V61 Y63 A101 F121 V122 L123 I124 | V22-V24 HydrophobicContact CG1-CG2 4.14Å; V24-V61 CarbonylContact C-O 3.59Å; V24-V61 WeakPolarHBondContact CA-O 3.44Å; V24-V61 HydrophobicContact CG2-CB 4.18Å; V24-V61 HydrophobicContact CG2-CG2 4.4Å; V24-Y63 HydrophobicContact CG1-CD1 3.71Å; V24-Y63 HydrophobicContact CG1-CE1 3.61Å; V24-A101 HydrophobicContact CG1-CB 3.6Å; V24-F121 HydrophobicContact CB-CE1 4.13Å; V24-F121 HydrophobicContact CB-CZ 4.16Å; V24-F121 HydrophobicContact CG2-CE1 3.71Å; V24-F121 HydrophobicContact CG2-CE2 4.03Å; V24-F121 HydrophobicContact CG2-CZ 3.29Å; V24-V122 PolarHBondContact N-O 3.01Å; V24-L123 HydrophobicContact CB-CD1 3.9Å; V24-L123 HydrophobicContact CG1-CD1 3.79Å; V24-I124 PolarHBondContact O-N 2.8Å |
| 25 | F | 97.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.5 | -163.2 | -162 | -69.9 | 0 | 0 | 0 | 111.2 | F35 Q38 K39 A42 L60 V61 E62 Y63 L89 I124 | F25-F35 HydrophobicContact CD1-CE2 4.13Å; F25-F35 AromaticContact CE1-CD2 3.8Å; F25-F35 HydrophobicContact CE1-CD2 3.8Å; F25-F35 AromaticContact CE1-CE2 3.47Å; F25-F35 HydrophobicContact CE1-CE2 3.47Å; F25-F35 VanDerWaalsContact CE1-CE2 3.47Å; F25-F35 HydrophobicContact CE1-CZ 4.23Å; F25-F35 HydrophobicContact CZ-CE2 4.39Å; F25-Q38 HydrophobicContact CE2-CB 4.28Å; F25-Q38 HydrophobicContact CZ-CB 3.75Å; F25-K39 HydrophobicContact CE2-CB 4.38Å; F25-K39 HydrophobicContact CZ-CB 3.95Å; F25-A42 HydrophobicContact CD2-CB 4.41Å; F25-A42 HydrophobicContact CE2-CB 4.09Å; F25-L60 HydrophobicContact CB-CD1 4.03Å; F25-V61 PolarHBondContact N-O 2.66Å; F25-E62 WeakPolarHBondContact O-CA 3.43Å; F25-Y63 VanDerWaalsContact C-CD1 3.45Å; F25-Y63 VanDerWaalsContact C-CE1 3.47Å; F25-Y63 WeakPolarHBondContact O-CD1 3.28Å; F25-Y63 PolarHBondContact O-N 3.44Å; F25-L89 HydrophobicContact CD1-CD1 4.28Å; F25-L89 HydrophobicContact CD1-CD2 4.46Å; F25-L89 HydrophobicContact CD2-CD1 3.86Å; F25-L89 HydrophobicContact CE1-CD1 4.49Å; F25-L89 HydrophobicContact CE2-CD1 4.08Å; F25-L89 HydrophobicContact CG-CD1 3.98Å; F25-L89 HydrophobicContact CG-CD2 4.43Å; F25-L89 HydrophobicContact CZ-CD1 4.4Å; F25-I124 HydrophobicContact CD2-CB 4.37Å; F25-I124 HydrophobicContact CD2-CD1 3.77Å; F25-I124 HydrophobicContact CD2-CG2 4.48Å; F25-I124 HydrophobicContact CE2-CD1 3.86Å; F25-I124 HydrophobicContact CE2-CG2 4.29Å |
| 26 | D | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 123.4 | 177.6 | -163.3 | -24.4 | 0 | 0 | 0 | 111.4 | S28 V31 Y63 T96 I124 T125 | D26-S28 WeakPolarHBondContact OD1-CB 3.14Å; D26-S28 PolarHBondContact OD1-N 3.07Å; D26-S28 PolarHBondContact OD1-OG 3.22Å; D26-V31 HydrophobicContact CB-CG2 4.31Å; D26-V31 WeakPolarHBondContact O-CG2 3.46Å; D26-Y63 VanDerWaalsContact CA-CE1 3.47Å; D26-Y63 HydrophobicContact CB-CE1 3.75Å; D26-Y63 HydrophobicContact CB-CE2 4.41Å; D26-Y63 VanDerWaalsContact N-CE1 3.34Å; D26-Y63 PolarHBondContact OD2-OH 2.61Å; D26-T96 WeakPolarHBondContact OD2-CG2 3.45Å; D26-I124 WeakPolarHBondContact CB-O 3.43Å; D26-I124 PolarHBondContact N-O 2.9Å; D26-T125 PolarHBondContact OD2-OG1 2.78Å |
| 27 | S | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -119.5 | 20.1 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | F35 E62 Y63 H91 I92 G93 | S27-F35 VanDerWaalsContact OG-CE2 3.31Å; S27-F35 WeakPolarHBondContact OG-CE2 3.41Å; S27-E62 VanDerWaalsContact OG-CG 3.24Å; S27-E62 WeakPolarHBondContact OG-CG 3.49Å; S27-E62 PolarHBondContact OG-OE1 2.95Å; S27-Y63 PolarHBondContact N-O 3.13Å; S27-H91 PolarHBondContact O-CD2 3.43Å; S27-I92 PolarHBondContact O-N 3.28Å; S27-G93 PolarHBondContact O-N 3.17Å | ||
| 28 | S | 84.5 | Confident | 91.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -72.1 | 173.7 | -178.1 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | D26 S30 V31 H91 T96 | D26-S28 WeakPolarHBondContact OD1-CB 3.14Å; D26-S28 PolarHBondContact OD1-N 3.07Å; D26-S28 PolarHBondContact OD1-OG 3.22Å; S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact OG-OG 3.03Å; S28-V31 WeakPolarHBondContact O-CG2 3.25Å; S28-V31 PolarHBondContact O-N 3.17Å; S28-H91 PolarHBondContact O-CD2 2.84Å; S28-H91 PolarHBondContact O-NE2 3.11Å; S28-T96 WeakPolarHBondContact CB-OG1 3.3Å; S28-T96 PolarHBondContact OG-OG1 2.92Å |
| 29 | Q | 78 | Confident | 92.1 | Very high | 105 Ų | 105 | 32.1 Ų | 32.1 | 49% | 0.491 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -64.8 | -30.6 | -177.5 | -172.1 | 58.5 | 44 | 0 | 0 | 113.1 | V31 E32 G94 | Q29-V31 VanDerWaalsContact C-N 3.31Å; Q29-V31 PolarHBondContact O-N 2.83Å; Q29-E32 PolarHBondContact NE2-OE2 3.11Å; Q29-G94 PolarHBondContact N-O 3.17Å; Q29-G94 VanDerWaalsContact N-O 3.12Å |
| 30 | S | 75.3 | Confident | 92.3 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 40% | 0.399 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -73.7 | -24 | -174.8 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | S28 D126 | S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact OG-OG 3.03Å; S30-D126 WeakPolarHBondContact CB-OD2 3.21Å; S30-D126 PolarHBondContact OG-OD1 2.8Å; S30-D126 VanDerWaalsContact OG-OD1 3.09Å; S30-D126 PolarHBondContact OG-OD2 3.19Å |
| 31 | V | 85.6 | Confident | 92.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -98.5 | 5.7 | 179.5 | -60.4 | 0 | 0 | 0 | 0 | 114 | D26 S28 Q29 E33 V34 F35 D126 | D26-V31 HydrophobicContact CB-CG2 4.31Å; D26-V31 WeakPolarHBondContact O-CG2 3.46Å; S28-V31 WeakPolarHBondContact O-CG2 3.25Å; S28-V31 PolarHBondContact O-N 3.17Å; Q29-V31 VanDerWaalsContact C-N 3.31Å; Q29-V31 PolarHBondContact O-N 2.83Å; V31-E33 VanDerWaalsContact C-N 3.28Å; V31-E33 PolarHBondContact O-N 3.43Å; V31-V34 HydrophobicContact CB-CG2 3.98Å; V31-V34 HydrophobicContact CG1-CG2 4.44Å; V31-V34 CarbonylContact O-C 3.6Å; V31-V34 WeakPolarHBondContact O-CG2 3.39Å; V31-V34 PolarHBondContact O-N 3.32Å; V31-F35 WeakPolarHBondContact O-CA 3.41Å; V31-F35 WeakPolarHBondContact O-CB 3.42Å; V31-F35 PolarHBondContact O-N 2.78Å; V31-D126 HydrophobicContact CG1-CB 3.93Å; V31-D126 VanDerWaalsContact CG1-CG 3.43Å; V31-D126 VanDerWaalsContact CG1-OD1 3.27Å; V31-D126 WeakPolarHBondContact CG1-OD1 3.37Å |
| 32 | E | 86.5 | Confident | 92.6 | Very high | 103 Ų | 103 | 38 Ų | 38 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -51.7 | -45.8 | -176 | -172.5 | 175.6 | 174.9 | 0 | 0 | 112.6 | Q29 V34 F35 H91 | Q29-E32 PolarHBondContact NE2-OE2 3.11Å; E32-V34 VanDerWaalsContact C-N 3.25Å; E32-V34 PolarHBondContact O-N 2.91Å; E32-F35 PolarHBondContact O-N 3Å; E32-H91 WeakPolarHBondContact CB-NE2 3.45Å; E32-H91 IonicContact OE2-CE1 3.92Å |
| 33 | E | 90.9 | Very high | 92.5 | Very high | 180 Ų | 180 | 40.7 Ų | 40.7 | 84% | 0.841 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -66.6 | -25.8 | -177.7 | -63.5 | -174.5 | 174.6 | 0 | 0 | 113.4 | V31 | V31-E33 VanDerWaalsContact C-N 3.28Å; V31-E33 PolarHBondContact O-N 3.43Å |
| 34 | V | 93.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -110.6 | -1.4 | -176.3 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | V31 E32 E36 Q37 Q38 L155 A156 | V31-V34 HydrophobicContact CB-CG2 3.98Å; V31-V34 HydrophobicContact CG1-CG2 4.44Å; V31-V34 CarbonylContact O-C 3.6Å; V31-V34 WeakPolarHBondContact O-CG2 3.39Å; V31-V34 PolarHBondContact O-N 3.32Å; E32-V34 VanDerWaalsContact C-N 3.25Å; E32-V34 PolarHBondContact O-N 2.91Å; V34-E36 PolarHBondContact O-N 3.18Å; V34-Q37 WeakPolarHBondContact O-CB 3.4Å; V34-Q37 PolarHBondContact O-N 3.06Å; V34-Q37 VanDerWaalsContact O-N 3.07Å; V34-Q38 HydrophobicContact CG2-CG 4.5Å; V34-Q38 PolarHBondContact O-N 3.42Å; V34-L155 HydrophobicContact CB-CB 4.44Å; V34-A156 HydrophobicContact CG2-CB 4.42Å |
| 35 | F | 94.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.022 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.5 | -51 | -173.6 | 177.6 | -95.5 | 0 | 0 | 0 | 112.5 | F25 S27 V31 E32 Q37 Q38 K39 L89 H91 | F25-F35 HydrophobicContact CD1-CE2 4.13Å; F25-F35 AromaticContact CE1-CD2 3.8Å; F25-F35 HydrophobicContact CE1-CD2 3.8Å; F25-F35 AromaticContact CE1-CE2 3.47Å; F25-F35 HydrophobicContact CE1-CE2 3.47Å; F25-F35 VanDerWaalsContact CE1-CE2 3.47Å; F25-F35 HydrophobicContact CE1-CZ 4.23Å; F25-F35 HydrophobicContact CZ-CE2 4.39Å; S27-F35 VanDerWaalsContact OG-CE2 3.31Å; S27-F35 WeakPolarHBondContact OG-CE2 3.41Å; V31-F35 WeakPolarHBondContact O-CA 3.41Å; V31-F35 WeakPolarHBondContact O-CB 3.42Å; V31-F35 PolarHBondContact O-N 2.78Å; E32-F35 PolarHBondContact O-N 3Å; F35-Q37 VanDerWaalsContact C-N 3.3Å; F35-Q37 PolarHBondContact O-N 3.39Å; F35-Q38 PolarHBondContact O-N 2.87Å; F35-K39 HydrophobicContact CE1-CD 4.3Å; F35-K39 WeakPolarHBondContact O-CB 3.36Å; F35-K39 PolarHBondContact O-N 2.79Å; F35-L89 HydrophobicContact CZ-CB 4.07Å; F35-H91 HydrophobicContact CD1-CB 4.24Å; F35-H91 HydrophobicContact CD2-CB 4.37Å; F35-H91 HydrophobicContact CE1-CB 4.41Å; F35-H91 HydrophobicContact CG-CB 4.23Å; F35-H91 VanDerWaalsContact CZ-N 3.3Å |
| 36 | E | 95.9 | Very high | 92.1 | Very high | 105 Ų | 105 | 44.7 Ų | 44.7 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.3 | -33.6 | 179.5 | -70.7 | -60.3 | 144.1 | 0 | 0 | 112.1 | V34 K39 Q40 | V34-E36 PolarHBondContact O-N 3.18Å; E36-K39 PolarHBondContact O-N 2.94Å; E36-Q40 WeakPolarHBondContact O-CB 3.42Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.35Å |
| 37 | Q | 95.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.2 | -45.5 | 175.3 | -174.2 | -178.5 | 16.9 | 0 | 0 | 111.1 | V34 F35 K39 Q40 I41 L155 | V34-Q37 WeakPolarHBondContact O-CB 3.4Å; V34-Q37 PolarHBondContact O-N 3.06Å; V34-Q37 VanDerWaalsContact O-N 3.07Å; F35-Q37 VanDerWaalsContact C-N 3.3Å; F35-Q37 PolarHBondContact O-N 3.39Å; Q37-K39 VanDerWaalsContact C-N 3.32Å; Q37-K39 PolarHBondContact O-N 2.85Å; Q37-Q40 PolarHBondContact O-N 3.49Å; Q37-I41 HydrophobicContact CG-CD1 4.25Å; Q37-I41 WeakPolarHBondContact O-CD1 3.32Å; Q37-I41 VanDerWaalsContact O-CG1 3.3Å; Q37-I41 WeakPolarHBondContact O-CG1 3.26Å; Q37-I41 PolarHBondContact O-N 3.32Å; Q37-L155 HydrophobicContact CG-CD1 4.21Å |
| 38 | Q | 96.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.8 | -77.7 | 174 | -42.8 | 0 | 0 | 111.5 | F25 V34 F35 I41 A42 I124 L155 | F25-Q38 HydrophobicContact CE2-CB 4.28Å; F25-Q38 HydrophobicContact CZ-CB 3.75Å; V34-Q38 HydrophobicContact CG2-CG 4.5Å; V34-Q38 PolarHBondContact O-N 3.42Å; F35-Q38 PolarHBondContact O-N 2.87Å; Q38-I41 PolarHBondContact O-N 3.08Å; Q38-A42 PolarHBondContact O-N 3.35Å; Q38-I124 HydrophobicContact CB-CG2 3.76Å; Q38-I124 HydrophobicContact CG-CG2 3.72Å; Q38-L155 HydrophobicContact CG-CB 4.32Å; Q38-L155 HydrophobicContact CG-CD1 4Å; Q38-L155 HydrophobicContact CG-CG 4.34Å |
| 39 | K | 96.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 176.8 | 179.6 | 176.8 | 173.2 | 171.8 | 0 | 111.7 | F25 F35 E36 Q37 I41 A42 E43 F86 H87 L89 | F25-K39 HydrophobicContact CE2-CB 4.38Å; F25-K39 HydrophobicContact CZ-CB 3.95Å; F35-K39 HydrophobicContact CE1-CD 4.3Å; F35-K39 WeakPolarHBondContact O-CB 3.36Å; F35-K39 PolarHBondContact O-N 2.79Å; E36-K39 PolarHBondContact O-N 2.94Å; Q37-K39 VanDerWaalsContact C-N 3.32Å; Q37-K39 PolarHBondContact O-N 2.85Å; K39-I41 VanDerWaalsContact C-N 3.28Å; K39-I41 PolarHBondContact O-N 3.11Å; K39-A42 PolarHBondContact O-N 3.14Å; K39-E43 WeakPolarHBondContact O-CG 3.29Å; K39-E43 PolarHBondContact O-N 2.98Å; K39-F86 WeakPolarHBondContact CE-O 3.42Å; K39-H87 PolarHBondContact NZ-O 2.87Å; K39-L89 HydrophobicContact CD-CB 4.31Å; K39-L89 PolarHBondContact NZ-O 2.73Å |
| 40 | Q | 96.3 | Very high | 92.7 | Very high | 118 Ų | 118 | 52.1 Ų | 52.1 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60 | -38 | 175.4 | -74.7 | 171 | 10.2 | 0 | 0 | 112.3 | E36 Q37 R44 | E36-Q40 WeakPolarHBondContact O-CB 3.42Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.35Å; Q37-Q40 PolarHBondContact O-N 3.49Å; Q40-R44 VanDerWaalsContact O-CB 3.25Å; Q40-R44 WeakPolarHBondContact O-CB 3.42Å; Q40-R44 PolarHBondContact O-N 3.41Å |
| 41 | I | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | 175.9 | -68.4 | 163.5 | 0 | 0 | 0 | 110.3 | Q37 Q38 K39 E43 R44 L45 I153 L155 V180 V183 | Q37-I41 HydrophobicContact CG-CD1 4.25Å; Q37-I41 WeakPolarHBondContact O-CD1 3.32Å; Q37-I41 VanDerWaalsContact O-CG1 3.3Å; Q37-I41 WeakPolarHBondContact O-CG1 3.26Å; Q37-I41 PolarHBondContact O-N 3.32Å; Q38-I41 PolarHBondContact O-N 3.08Å; K39-I41 VanDerWaalsContact C-N 3.28Å; K39-I41 PolarHBondContact O-N 3.11Å; I41-E43 PolarHBondContact O-N 2.96Å; I41-R44 WeakPolarHBondContact O-CB 3.46Å; I41-R44 PolarHBondContact O-N 3.03Å; I41-L45 HydrophobicContact CG2-CD1 4.26Å; I41-L45 HydrophobicContact CG2-CG 4.32Å; I41-L45 WeakPolarHBondContact O-CG 3.29Å; I41-L45 PolarHBondContact O-N 2.87Å; I41-I153 HydrophobicContact CG2-CD1 3.92Å; I41-L155 HydrophobicContact CD1-CD1 3.25Å; I41-V180 HydrophobicContact CD1-CG2 3.75Å; I41-V183 HydrophobicContact CG2-CG1 4.21Å |
| 42 | A | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F23 F25 Q38 K39 R44 L45 I46 F86 I124 | F23-A42 HydrophobicContact CD1-CB 4.37Å; F23-A42 HydrophobicContact CE1-CB 4.29Å; F25-A42 HydrophobicContact CD2-CB 4.41Å; F25-A42 HydrophobicContact CE2-CB 4.09Å; Q38-A42 PolarHBondContact O-N 3.35Å; K39-A42 PolarHBondContact O-N 3.14Å; A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 2.63Å; A42-L45 PolarHBondContact O-N 2.62Å; A42-I46 VanDerWaalsContact O-CD1 3.28Å; A42-I46 WeakPolarHBondContact O-CD1 3.41Å; A42-I46 WeakPolarHBondContact O-CG1 3.12Å; A42-I46 PolarHBondContact O-N 2.96Å; A42-F86 HydrophobicContact CB-CD1 3.77Å; A42-F86 HydrophobicContact CB-CE1 3.64Å; A42-I124 HydrophobicContact CB-CD1 3.9Å |
| 43 | E | 95.7 | Very high | 92.8 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 174.9 | -72.9 | -178.2 | 164.2 | 0 | 0 | 112.4 | K39 I41 S47 F86 | K39-E43 WeakPolarHBondContact O-CG 3.29Å; K39-E43 PolarHBondContact O-N 2.98Å; I41-E43 PolarHBondContact O-N 2.96Å; E43-S47 PolarHBondContact O-N 2.84Å; E43-S47 VanDerWaalsContact O-N 3.17Å; E43-F86 HydrophobicContact CG-CB 3.95Å |
| 44 | R | 95 | Very high | 92.3 | Very high | 83 Ų | 83 | 50.1 Ų | 50.1 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 175.1 | 179.9 | 168.2 | 48.5 | 67.1 | -18.2 | 111.9 | Q40 I41 A42 I46 S47 H48 D184 | Q40-R44 VanDerWaalsContact O-CB 3.25Å; Q40-R44 WeakPolarHBondContact O-CB 3.42Å; Q40-R44 PolarHBondContact O-N 3.41Å; I41-R44 WeakPolarHBondContact O-CB 3.46Å; I41-R44 PolarHBondContact O-N 3.03Å; A42-R44 VanDerWaalsContact C-N 3.28Å; A42-R44 PolarHBondContact O-N 2.63Å; R44-I46 VanDerWaalsContact C-N 3.33Å; R44-I46 PolarHBondContact O-N 3.01Å; R44-S47 WeakPolarHBondContact O-CB 3.27Å; R44-S47 PolarHBondContact O-N 3.01Å; R44-S47 VanDerWaalsContact O-N 3.13Å; R44-S47 PolarHBondContact O-OG 3.42Å; R44-H48 PolarHBondContact O-CD2 3.26Å; R44-D184 IonicContact CZ-OD1 2.74Å; R44-D184 IonicContact CZ-OD2 2.65Å; R44-D184 VanDerWaalsContact CZ-OD2 3.29Å; R44-D184 IonicContact NE-OD1 2.68Å; R44-D184 IonicContact NH1-OD1 2.66Å; R44-D184 PolarHBondContact NH1-OD1 3.01Å; R44-D184 IonicContact NH1-OD2 3.93Å; R44-D184 PolarHBondContact NH1-OD2 3.24Å; R44-D184 IonicContact NH2-OD2 2.88Å |
| 45 | L | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.5 | -68.1 | -176.8 | 0 | 0 | 0 | 111.8 | F23 I41 A42 S47 H48 I153 V183 F187 | F23-L45 HydrophobicContact CE1-CD1 4.36Å; F23-L45 HydrophobicContact CZ-CB 4.33Å; I41-L45 HydrophobicContact CG2-CD1 4.26Å; I41-L45 HydrophobicContact CG2-CG 4.32Å; I41-L45 WeakPolarHBondContact O-CG 3.29Å; I41-L45 PolarHBondContact O-N 2.87Å; A42-L45 PolarHBondContact O-N 2.62Å; L45-S47 PolarHBondContact O-N 3.25Å; L45-H48 WeakPolarHBondContact O-CB 3.33Å; L45-H48 PolarHBondContact O-N 3.47Å; L45-H48 VanDerWaalsContact O-N 3.07Å; L45-I153 HydrophobicContact CD1-CD1 3.81Å; L45-V183 HydrophobicContact CD1-CG2 4.2Å; L45-V183 HydrophobicContact CD2-CG1 4.25Å; L45-V183 HydrophobicContact CD2-CG2 4.36Å; L45-F187 HydrophobicContact CB-CD1 4.11Å; L45-F187 HydrophobicContact CB-CD2 4.36Å; L45-F187 HydrophobicContact CB-CE1 3.97Å; L45-F187 HydrophobicContact CB-CE2 4.24Å; L45-F187 HydrophobicContact CB-CG 4.3Å; L45-F187 HydrophobicContact CB-CZ 4.04Å; L45-F187 HydrophobicContact CD1-CD2 3.94Å; L45-F187 HydrophobicContact CD1-CE2 4.25Å; L45-F187 HydrophobicContact CD1-CG 4.29Å; L45-F187 HydrophobicContact CD2-CB 3.67Å; L45-F187 HydrophobicContact CD2-CD1 3.94Å; L45-F187 HydrophobicContact CD2-CD2 4.19Å; L45-F187 HydrophobicContact CD2-CG 3.67Å; L45-F187 HydrophobicContact CG-CD2 4.38Å; L45-F187 HydrophobicContact CG-CG 4.29Å; L45-F187 VanDerWaalsContact O-CE1 3.23Å; L45-F187 WeakPolarHBondContact O-CE1 3.25Å |
| 46 | I | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.8 | -34.1 | 175.7 | -68.4 | 159 | 0 | 0 | 0 | 111.8 | F23 A42 R44 H48 L49 I51 V82 F86 | F23-I46 HydrophobicContact CE2-CG1 4.08Å; F23-I46 HydrophobicContact CZ-CG1 4.08Å; A42-I46 VanDerWaalsContact O-CD1 3.28Å; A42-I46 WeakPolarHBondContact O-CD1 3.41Å; A42-I46 WeakPolarHBondContact O-CG1 3.12Å; A42-I46 PolarHBondContact O-N 2.96Å; R44-I46 VanDerWaalsContact C-N 3.33Å; R44-I46 PolarHBondContact O-N 3.01Å; I46-H48 PolarHBondContact O-N 2.76Å; I46-L49 WeakPolarHBondContact O-CB 3.5Å; I46-L49 PolarHBondContact O-N 2.94Å; I46-I51 HydrophobicContact CG2-CD1 3.65Å; I46-V82 HydrophobicContact CD1-CG1 4.26Å; I46-V82 HydrophobicContact CG2-CG1 3.85Å; I46-F86 HydrophobicContact CD1-CB 4.34Å; I46-F86 HydrophobicContact CD1-CD1 3.64Å; I46-F86 HydrophobicContact CD1-CD2 3.21Å; I46-F86 HydrophobicContact CD1-CE1 3.64Å; I46-F86 HydrophobicContact CD1-CE2 3.19Å; I46-F86 HydrophobicContact CD1-CG 3.43Å; I46-F86 VanDerWaalsContact CD1-CG 3.43Å; I46-F86 HydrophobicContact CD1-CZ 3.41Å; I46-F86 VanDerWaalsContact CD1-CZ 3.41Å; I46-F86 HydrophobicContact CG1-CE2 4.27Å; I46-F86 HydrophobicContact CG1-CZ 4.37Å |
| 47 | S | 92.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 43% | 0.427 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.1 | -19.4 | 178.5 | 80.1 | 0 | 0 | 0 | 0 | 113.9 | E43 R44 L45 | E43-S47 PolarHBondContact O-N 2.84Å; E43-S47 VanDerWaalsContact O-N 3.17Å; R44-S47 WeakPolarHBondContact O-CB 3.27Å; R44-S47 PolarHBondContact O-N 3.01Å; R44-S47 VanDerWaalsContact O-N 3.13Å; R44-S47 PolarHBondContact O-OG 3.42Å; L45-S47 PolarHBondContact O-N 3.25Å |
| 48 | H | 92.3 | Very high | 91.6 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 34% | 0.338 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -14.1 | 174.2 | -58.8 | -51.3 | 0 | 0 | 0 | 113 | R44 L45 I46 D184 I188 | R44-H48 PolarHBondContact O-CD2 3.26Å; L45-H48 WeakPolarHBondContact O-CB 3.33Å; L45-H48 PolarHBondContact O-N 3.47Å; L45-H48 VanDerWaalsContact O-N 3.07Å; I46-H48 PolarHBondContact O-N 2.76Å; H48-D184 IonicContact CD2-OD1 3.36Å; H48-D184 IonicContact CE1-OD1 2.69Å; H48-D184 IonicContact NE2-OD1 2.69Å; H48-D184 PolarHBondContact NE2-OD1 3.41Å; H48-I188 HydrophobicContact CB-CG1 4Å |
| 49 | L | 91.1 | Very high | 91.5 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -83.2 | 139.4 | -178.7 | -62.6 | 178.3 | 0 | 0 | 0 | 111.9 | V21 I46 I51 V58 F187 T191 | V21-L49 HydrophobicContact CB-CD1 4.43Å; V21-L49 HydrophobicContact CG2-CD1 4Å; V21-L49 HydrophobicContact CG2-CD2 4.1Å; I46-L49 WeakPolarHBondContact O-CB 3.5Å; I46-L49 PolarHBondContact O-N 2.94Å; L49-I51 HydrophobicContact CB-CG1 4.03Å; L49-I51 PolarHBondContact O-N 3.23Å; L49-I51 VanDerWaalsContact O-N 3.17Å; L49-V58 HydrophobicContact CD1-CG2 3.66Å; L49-F187 HydrophobicContact CD1-CE1 4.43Å; L49-F187 HydrophobicContact CD1-CZ 4.14Å; L49-F187 HydrophobicContact CD2-CE1 3.6Å; L49-F187 HydrophobicContact CD2-CZ 3.83Å; L49-F187 HydrophobicContact CG-CE1 3.86Å; L49-F187 HydrophobicContact CG-CZ 4.06Å; L49-T191 HydrophobicContact CD2-CG2 3.65Å |
| 50 | N | 88.3 | Confident | 91.5 | Very high | 118 Ų | 118 | 40.4 Ų | 40.4 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | trans | -85.1 | 78.9 | 165.7 | -177.9 | 45.9 | 0 | 0 | 0 | 109.7 | D52 S56 | N50-D52 PolarHBondContact O-N 3.3Å; N50-D52 VanDerWaalsContact O-N 3.11Å; N50-S56 PolarHBondContact O-N 3.13Å | ||
| 51 | I | 88.8 | Confident | 91.5 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -67.4 | 109.6 | -179 | -64.8 | 165.4 | 0 | 0 | 0 | 109.9 | I46 L49 S56 V58 Q77 I79 V82 | I46-I51 HydrophobicContact CG2-CD1 3.65Å; L49-I51 HydrophobicContact CB-CG1 4.03Å; L49-I51 PolarHBondContact O-N 3.23Å; L49-I51 VanDerWaalsContact O-N 3.17Å; I51-S56 WeakPolarHBondContact CA-O 3.36Å; I51-V58 HydrophobicContact CD1-CG2 4.25Å; I51-V58 HydrophobicContact CG1-CG2 4.22Å; I51-Q77 HydrophobicContact CG2-CB 3.95Å; I51-I79 HydrophobicContact CB-CB 4.36Å; I51-I79 HydrophobicContact CD1-CB 4.27Å; I51-I79 HydrophobicContact CD1-CG1 4.08Å; I51-V82 HydrophobicContact CD1-CB 3.77Å; I51-V82 HydrophobicContact CD1-CG1 3.89Å; I51-V82 HydrophobicContact CD1-CG2 3.74Å; I51-V82 HydrophobicContact CG2-CG2 3.95Å |
| 52 | D | 81.7 | Confident | 91.4 | Very high | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -163.2 | 146.9 | -175.9 | 177.3 | 84.1 | 0 | 0 | 0 | 109 | N50 F54 G55 S56 | N50-D52 PolarHBondContact O-N 3.3Å; N50-D52 VanDerWaalsContact O-N 3.11Å; D52-F54 PolarHBondContact O-N 2.65Å; D52-F54 WeakPolarHBondContact OD2-CA 3.14Å; D52-F54 WeakPolarHBondContact OD2-CB 3.21Å; D52-F54 PolarHBondContact OD2-N 3.35Å; D52-G55 CarbonylContact O-C 3.58Å; D52-G55 PolarHBondContact O-N 3.38Å; D52-G55 PolarHBondContact OD2-N 3.38Å; D52-S56 PolarHBondContact N-O 3.36Å; D52-S56 PolarHBondContact O-N 2.6Å |
| 53 | P | 79.1 | Confident | 91.3 | Very high | 43 Ų | 43 | 35 Ų | 35 | 28% | 0.279 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -28.4 | 175.8 | -31 | 37 | 0 | 0 | 0 | 115.6 | T75 R114 | P53-T75 WeakPolarHBondContact CB-O 3.22Å; P53-R114 PolarHBondContact O-NH1 2.94Å |
| 54 | F | 79.7 | Confident | 90.8 | Very high | 177 Ų | 177 | 32.1 Ų | 32.1 | 78% | 0.776 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -9.9 | 177.5 | -52.9 | -78.1 | 0 | 0 | 0 | 113.3 | D52 | D52-F54 PolarHBondContact O-N 2.65Å; D52-F54 WeakPolarHBondContact OD2-CA 3.14Å; D52-F54 WeakPolarHBondContact OD2-CB 3.21Å; D52-F54 PolarHBondContact OD2-N 3.35Å |
| 55 | G | 85.2 | Confident | 89.8 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -96.4 | -109.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P18 V19 D52 R114 | P18-G55 WeakPolarHBondContact CA-O 3.33Å; P18-G55 WeakPolarHBondContact CB-O 3.45Å; V19-G55 PolarHBondContact N-O 3.12Å; D52-G55 CarbonylContact O-C 3.58Å; D52-G55 PolarHBondContact O-N 3.38Å; D52-G55 PolarHBondContact OD2-N 3.38Å; G55-R114 PolarHBondContact O-NH1 3.23Å; G55-R114 PolarHBondContact O-NH2 2.72Å |
| 56 | S | 90.8 | Very high | 89 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.4 | 180 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | V19 N50 I51 D52 | V19-S56 WeakPolarHBondContact O-CA 3.41Å; N50-S56 PolarHBondContact O-N 3.13Å; I51-S56 WeakPolarHBondContact CA-O 3.36Å; D52-S56 PolarHBondContact N-O 3.36Å; D52-S56 PolarHBondContact O-N 2.6Å |
| 57 | L | 92.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.6 | 167.6 | -62.4 | 178.1 | 0 | 0 | 0 | 109.6 | V19 V21 I73 Q77 R114 | V19-L57 PolarHBondContact O-N 2.8Å; V19-L57 VanDerWaalsContact O-N 3.1Å; V21-L57 PolarHBondContact N-O 2.84Å; L57-I73 HydrophobicContact CB-CG1 3.75Å; L57-I73 VanDerWaalsContact CD1-O 3.26Å; L57-I73 WeakPolarHBondContact CD1-O 3.22Å; L57-Q77 HydrophobicContact CD2-CB 4.36Å; L57-Q77 HydrophobicContact CD2-CG 4.29Å; L57-R114 HydrophobicContact CD1-CG 4.08Å |
| 58 | V | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.1 | -174 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | V21 F23 L49 I51 L71 Q77 V82 F86 | V21-V58 CarbonylContact O-C 3.52Å; V21-V58 VanDerWaalsContact O-CA 3.22Å; V21-V58 WeakPolarHBondContact O-CA 3.11Å; F23-V58 HydrophobicContact CD2-CG1 3.8Å; F23-V58 HydrophobicContact CE2-CG1 4.03Å; L49-V58 HydrophobicContact CD1-CG2 3.66Å; I51-V58 HydrophobicContact CD1-CG2 4.25Å; I51-V58 HydrophobicContact CG1-CG2 4.22Å; V58-L71 HydrophobicContact CB-CD2 4.23Å; V58-L71 HydrophobicContact CG1-CD2 4.24Å; V58-L71 WeakPolarHBondContact O-CD2 3.33Å; V58-L71 WeakPolarHBondContact O-CG 3.23Å; V58-Q77 PolarHBondContact O-NE2 2.67Å; V58-Q77 PolarHBondContact O-OE1 3.47Å; V58-V82 HydrophobicContact CB-CG1 3.98Å; V58-V82 HydrophobicContact CB-CG2 4.44Å; V58-V82 HydrophobicContact CG1-CG1 3.91Å; V58-V82 HydrophobicContact CG2-CG1 4.19Å; V58-F86 HydrophobicContact CG1-CE2 4.04Å; V58-F86 HydrophobicContact CG1-CZ 4.42Å |
| 59 | G | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 145.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V21 F23 L71 | V21-G59 PolarHBondContact O-N 2.99Å; F23-G59 PolarHBondContact N-O 3.25Å; G59-L71 CarbonylContact C-O 2.8Å; G59-L71 VanDerWaalsContact CA-O 3.29Å; G59-L71 WeakPolarHBondContact CA-O 3.13Å |
| 60 | L | 96.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 116.6 | 172 | 176.7 | 59.6 | 0 | 0 | 0 | 110.8 | F23 F25 L70 L71 A85 F86 L89 | F23-L60 HydrophobicContact CB-CD1 3.95Å; F23-L60 WeakPolarHBondContact O-CA 2.97Å; F25-L60 HydrophobicContact CB-CD1 4.03Å; L60-L70 HydrophobicContact CB-CB 4.48Å; L60-L70 HydrophobicContact CD2-CB 4.11Å; L60-L70 HydrophobicContact CD2-CD1 3.93Å; L60-L70 HydrophobicContact CG-CB 4.16Å; L60-L70 HydrophobicContact CG-CD1 4.3Å; L60-L70 PolarHBondContact O-N 3.18Å; L60-L71 HydrophobicContact CB-CB 3.86Å; L60-L71 PolarHBondContact N-O 2.78Å; L60-L71 PolarHBondContact O-N 2.94Å; L60-A85 HydrophobicContact CD2-CB 4.3Å; L60-F86 HydrophobicContact CB-CE2 4.07Å; L60-F86 HydrophobicContact CB-CZ 4.15Å; L60-F86 HydrophobicContact CD1-CD1 4.46Å; L60-F86 HydrophobicContact CD1-CE1 3.74Å; L60-F86 HydrophobicContact CD1-CE2 4.27Å; L60-F86 HydrophobicContact CD1-CZ 3.65Å; L60-F86 HydrophobicContact CD2-CD1 4.26Å; L60-F86 HydrophobicContact CD2-CD2 3.82Å; L60-F86 HydrophobicContact CD2-CE1 4.2Å; L60-F86 HydrophobicContact CD2-CE2 3.78Å; L60-F86 HydrophobicContact CD2-CG 4.08Å; L60-F86 HydrophobicContact CD2-CZ 3.98Å; L60-F86 HydrophobicContact CG-CE1 4.49Å; L60-F86 HydrophobicContact CG-CE2 4.25Å; L60-F86 HydrophobicContact CG-CZ 4.12Å; L60-L89 HydrophobicContact CD1-CD1 4.47Å; L60-L89 HydrophobicContact CD1-CD2 4.41Å; L60-L89 HydrophobicContact CD2-CD1 4.24Å; L60-L89 HydrophobicContact CD2-CD2 4.1Å; L60-L89 HydrophobicContact CD2-CG 4.16Å |
| 61 | V | 96.3 | Very high | 89 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.1 | 169.5 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | F23 V24 F25 N67 K68 L69 A101 T104 | F23-V61 PolarHBondContact O-N 2.88Å; V24-V61 CarbonylContact C-O 3.59Å; V24-V61 WeakPolarHBondContact CA-O 3.44Å; V24-V61 HydrophobicContact CG2-CB 4.18Å; V24-V61 HydrophobicContact CG2-CG2 4.4Å; F25-V61 PolarHBondContact N-O 2.66Å; V61-N67 HydrophobicContact CG1-CB 4.01Å; V61-K68 WeakPolarHBondContact CA-O 3.3Å; V61-L69 HydrophobicContact CG2-CD1 3.95Å; V61-A101 HydrophobicContact CG1-CB 4.42Å; V61-T104 HydrophobicContact CG1-CG2 4.13Å; V61-T104 HydrophobicContact CG2-CG2 3.83Å |
| 62 | E | 96.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 137.1 | 170 | -177.7 | -179.8 | -135.9 | 0 | 0 | 108.5 | F25 S27 N67 K68 L70 L89 R90 I92 | F25-E62 WeakPolarHBondContact O-CA 3.43Å; S27-E62 VanDerWaalsContact OG-CG 3.24Å; S27-E62 WeakPolarHBondContact OG-CG 3.49Å; S27-E62 PolarHBondContact OG-OE1 2.95Å; E62-N67 CarbonylContact O-C 3.57Å; E62-N67 WeakPolarHBondContact O-CA 3.46Å; E62-K68 PolarHBondContact N-O 2.68Å; E62-K68 PolarHBondContact O-N 3.17Å; E62-L70 HydrophobicContact CB-CD1 3.67Å; E62-L70 HydrophobicContact CB-CG 4.03Å; E62-L70 HydrophobicContact CG-CD1 4.44Å; E62-L89 HydrophobicContact CB-CD2 3.73Å; E62-L89 HydrophobicContact CG-CD2 3.67Å; E62-L89 WeakPolarHBondContact OE1-CD2 3.35Å; E62-R90 PolarHBondContact OE1-N 3.29Å; E62-I92 HydrophobicContact CG-CD1 3.93Å |
| 63 | Y | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.5 | 179.6 | 77.3 | -77.7 | 0 | 0 | 0 | 114.7 | V24 F25 D26 S27 Y66 T96 T98 A101 T125 | V24-Y63 HydrophobicContact CG1-CD1 3.71Å; V24-Y63 HydrophobicContact CG1-CE1 3.61Å; F25-Y63 VanDerWaalsContact C-CD1 3.45Å; F25-Y63 VanDerWaalsContact C-CE1 3.47Å; F25-Y63 WeakPolarHBondContact O-CD1 3.28Å; F25-Y63 PolarHBondContact O-N 3.44Å; D26-Y63 VanDerWaalsContact CA-CE1 3.47Å; D26-Y63 HydrophobicContact CB-CE1 3.75Å; D26-Y63 HydrophobicContact CB-CE2 4.41Å; D26-Y63 VanDerWaalsContact N-CE1 3.34Å; D26-Y63 PolarHBondContact OD2-OH 2.61Å; S27-Y63 PolarHBondContact N-O 3.13Å; Y63-Y66 WeakPolarHBondContact CA-O 3.46Å; Y63-T96 HydrophobicContact CD2-CG2 4.48Å; Y63-T96 HydrophobicContact CE2-CG2 3.65Å; Y63-T98 PolarHBondContact OH-OG1 3.18Å; Y63-A101 HydrophobicContact CD1-CB 3.49Å; Y63-A101 VanDerWaalsContact CD1-CB 3.49Å; Y63-A101 HydrophobicContact CD2-CB 3.64Å; Y63-A101 HydrophobicContact CE1-CB 4.04Å; Y63-A101 HydrophobicContact CE2-CB 4.16Å; Y63-A101 HydrophobicContact CG-CB 3.26Å; Y63-T125 WeakPolarHBondContact OH-CB 3.29Å; Y63-T125 PolarHBondContact OH-OG1 2.83Å; Y63-T125 VanDerWaalsContact OH-OG1 3.05Å |
| 64 | S | 85.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -148.6 | -99.7 | 159.5 | 67 | 0 | 0 | 0 | 0 | 108.1 | Y66 I92 G93 Y95 L97 | S64-Y66 VanDerWaalsContact C-N 3.27Å; S64-Y66 PolarHBondContact N-O 3.1Å; S64-Y66 PolarHBondContact O-N 2.85Å; S64-I92 WeakPolarHBondContact OG-CB 3.47Å; S64-I92 WeakPolarHBondContact OG-CG2 3.47Å; S64-G93 VanDerWaalsContact CB-O 3.3Å; S64-G93 WeakPolarHBondContact CB-O 3.2Å; S64-G93 PolarHBondContact OG-O 2.91Å; S64-Y95 CarbonylContact C-O 3.53Å; S64-L97 PolarHBondContact O-N 2.86Å |
| 65 | R | 75.7 | Confident | 88.4 | Confident | 105 Ų | 105 | 37 Ų | 37 | 40% | 0.396 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -76.9 | -14.8 | 175.8 | 63.6 | 170.7 | -172.6 | -95.2 | 1.9 | 113.5 | Y95 | R65-Y95 VanDerWaalsContact CA-CE2 3.49Å; R65-Y95 VanDerWaalsContact CA-O 3.27Å; R65-Y95 WeakPolarHBondContact CA-O 3.31Å; R65-Y95 HydrophobicContact CB-CD1 3.99Å; R65-Y95 HydrophobicContact CB-CD2 3.88Å; R65-Y95 HydrophobicContact CB-CE1 3.68Å; R65-Y95 HydrophobicContact CB-CE2 3.56Å; R65-Y95 HydrophobicContact CB-CG 4.08Å; R65-Y95 VanDerWaalsContact CB-CZ 3.46Å; R65-Y95 PolarHBondContact N-O 3.03Å; R65-Y95 WeakPolarHBondContact O-CE2 3.28Å; R65-Y95 PolarHBondContact O-OH 3.08Å |
| 66 | Y | 79.5 | Confident | 87.5 | Confident | 111 Ų | 111 | 39.8 Ų | 39.8 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -144.8 | 159.6 | 169.5 | 54.4 | -102.6 | 0 | 0 | 0 | 107.3 | Y63 S64 I92 | Y63-Y66 WeakPolarHBondContact CA-O 3.46Å; S64-Y66 VanDerWaalsContact C-N 3.27Å; S64-Y66 PolarHBondContact N-O 3.1Å; S64-Y66 PolarHBondContact O-N 2.85Å; Y66-I92 HydrophobicContact CE1-CG2 4.45Å; Y66-I92 HydrophobicContact CE2-CD1 4.19Å |
| 67 | N | 87.2 | Confident | 87.1 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 153.5 | 170.1 | 67.4 | 54.2 | 0 | 0 | 0 | 111.2 | V61 E62 D100 A101 T104 | V61-N67 HydrophobicContact CG1-CB 4.01Å; E62-N67 CarbonylContact O-C 3.57Å; E62-N67 WeakPolarHBondContact O-CA 3.46Å; N67-D100 VanDerWaalsContact ND2-C 3.28Å; N67-D100 PolarHBondContact ND2-O 3.35Å; N67-A101 HydrophobicContact CB-CB 4.15Å; N67-T104 PolarHBondContact ND2-OG1 3.3Å; N67-T104 VanDerWaalsContact ND2-OG1 3.17Å; N67-T104 PolarHBondContact OD1-OG1 3Å |
| 68 | K | 91.4 | Very high | 86.8 | Confident | 112 Ų | 112 | 45.4 Ų | 45.4 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 121.5 | 177.6 | -175 | -178.1 | 174.4 | -161 | 0 | 109.3 | V61 E62 L70 | V61-K68 WeakPolarHBondContact CA-O 3.3Å; E62-K68 PolarHBondContact N-O 2.68Å; E62-K68 PolarHBondContact O-N 3.17Å; K68-L70 HydrophobicContact CD-CD2 3.58Å; K68-L70 VanDerWaalsContact CE-CD2 3.48Å; K68-L70 HydrophobicContact CG-CD2 3.92Å; K68-L70 PolarHBondContact O-N 2.85Å |
| 69 | L | 92.6 | Very high | 86.4 | Confident | 66 Ų | 66 | 48.2 Ų | 48.2 | 35% | 0.346 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 107.6 | 169.3 | -175.1 | 64.6 | 0 | 0 | 0 | 109.1 | V61 P72 E108 | V61-L69 HydrophobicContact CG2-CD1 3.95Å; L69-P72 HydrophobicContact CD2-CB 4.07Å; L69-E108 HydrophobicContact CD1-CG 3.72Å; L69-E108 HydrophobicContact CD2-CG 4.43Å; L69-E108 WeakPolarHBondContact CD2-OE1 3.41Å |
| 70 | L | 93.1 | Very high | 86.1 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -33.7 | 179.2 | -66.3 | -175.7 | 0 | 0 | 0 | 112.3 | L60 E62 K68 L89 | L60-L70 HydrophobicContact CB-CB 4.48Å; L60-L70 HydrophobicContact CD2-CB 4.11Å; L60-L70 HydrophobicContact CD2-CD1 3.93Å; L60-L70 HydrophobicContact CG-CB 4.16Å; L60-L70 HydrophobicContact CG-CD1 4.3Å; L60-L70 PolarHBondContact O-N 3.18Å; E62-L70 HydrophobicContact CB-CD1 3.67Å; E62-L70 HydrophobicContact CB-CG 4.03Å; E62-L70 HydrophobicContact CG-CD1 4.44Å; K68-L70 HydrophobicContact CD-CD2 3.58Å; K68-L70 VanDerWaalsContact CE-CD2 3.48Å; K68-L70 HydrophobicContact CG-CD2 3.92Å; K68-L70 PolarHBondContact O-N 2.85Å; L70-L89 HydrophobicContact CD1-CD2 3.56Å; L70-L89 HydrophobicContact CD1-CG 4.34Å |
| 71 | L | 92.9 | Very high | 85.7 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 109.6 | 179.8 | -175.8 | 68.8 | 0 | 0 | 0 | 108.8 | V58 G59 L60 V82 A85 | V58-L71 HydrophobicContact CB-CD2 4.23Å; V58-L71 HydrophobicContact CG1-CD2 4.24Å; V58-L71 WeakPolarHBondContact O-CD2 3.33Å; V58-L71 WeakPolarHBondContact O-CG 3.23Å; G59-L71 CarbonylContact C-O 2.8Å; G59-L71 VanDerWaalsContact CA-O 3.29Å; G59-L71 WeakPolarHBondContact CA-O 3.13Å; L60-L71 HydrophobicContact CB-CB 3.86Å; L60-L71 PolarHBondContact N-O 2.78Å; L60-L71 PolarHBondContact O-N 2.94Å; L71-V82 HydrophobicContact CD2-CB 4.28Å; L71-V82 HydrophobicContact CD2-CG1 4.03Å; L71-V82 HydrophobicContact CD2-CG2 3.93Å; L71-A85 HydrophobicContact CB-CB 4.28Å; L71-A85 HydrophobicContact CD2-CB 4.49Å |
| 72 | P | 92.2 | Very high | 85.6 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | trans | -72.6 | 145.5 | 172.1 | 28.7 | -32.5 | 0 | 0 | 0 | 110.5 | L69 S74 Q77 E108 | L69-P72 HydrophobicContact CD2-CB 4.07Å; P72-S74 PolarHBondContact O-N 3.48Å; P72-Q77 PolarHBondContact O-NE2 3.05Å; P72-E108 WeakPolarHBondContact CA-OE2 3.19Å | ||
| 73 | I | 86.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -72.2 | 13.6 | -175.9 | -159.7 | 156.2 | 0 | 0 | 0 | 114.7 | D20 V22 L57 E108 G112 | D20-I73 HydrophobicContact CB-CD1 3.64Å; D20-I73 HydrophobicContact CB-CG1 4.42Å; V22-I73 HydrophobicContact CG2-CD1 3.66Å; L57-I73 HydrophobicContact CB-CG1 3.75Å; L57-I73 VanDerWaalsContact CD1-O 3.26Å; L57-I73 WeakPolarHBondContact CD1-O 3.22Å; I73-E108 HydrophobicContact CG2-CB 4.31Å; I73-E108 VanDerWaalsContact CG2-O 3.3Å; I73-E108 WeakPolarHBondContact CG2-O 3.44Å; I73-E108 PolarHBondContact N-OE2 3.4Å; I73-G112 VanDerWaalsContact CG2-C 3.48Å | ||
| 74 | S | 73 | Confident | 85.4 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | trans | -68.5 | 169.4 | -171.5 | 70.4 | 0 | 0 | 0 | 0 | 115.6 | P72 A76 | P72-S74 PolarHBondContact O-N 3.48Å; S74-A76 PolarHBondContact O-N 3.38Å | ||
| 75 | T | 64.7 | Low | 85.7 | Confident | 109 Ų | 109 | 67.5 Ų | 67.5 | 67% | 0.669 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -61.6 | -17.3 | -151.3 | 30.7 | 0 | 0 | 0 | 0 | 119.4 | P53 | P53-T75 WeakPolarHBondContact CB-O 3.22Š|
| 76 | A | 67.1 | Low | 86.7 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | trans | -131.2 | 102.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S74 | S74-A76 PolarHBondContact O-N 3.38Š| ||
| 77 | Q | 81.8 | Confident | 87.3 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 2% | 0.023 | 34% | 0.337 | C | S | . | . | trans | -126.4 | 139.8 | 176.7 | -63.9 | -176.9 | -19.6 | 0 | 0 | 110.3 | I51 L57 V58 P72 V82 | I51-Q77 HydrophobicContact CG2-CB 3.95Å; L57-Q77 HydrophobicContact CD2-CB 4.36Å; L57-Q77 HydrophobicContact CD2-CG 4.29Å; V58-Q77 PolarHBondContact O-NE2 2.67Å; V58-Q77 PolarHBondContact O-OE1 3.47Å; P72-Q77 PolarHBondContact O-NE2 3.05Å; Q77-V82 HydrophobicContact CB-CG2 4.23Å | ||
| 78 | H | 85.6 | Confident | 87.6 | Confident | 122 Ų | 122 | 66.8 Ų | 66.8 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | trans | -109.5 | 146.7 | 168 | -68.8 | -69.3 | 0 | 0 | 0 | 109.8 | D80 Q81 V82 | H78-D80 PolarHBondContact O-N 2.92Å; H78-D80 VanDerWaalsContact O-N 3.09Å; H78-Q81 HydrophobicContact CB-CG 4.44Å; H78-Q81 WeakPolarHBondContact O-CB 3.21Å; H78-Q81 PolarHBondContact O-N 3.21Å; H78-V82 PolarHBondContact O-N 3.37Å; H78-V82 VanDerWaalsContact O-N 3.14Å | ||
| 79 | I | 87.7 | Confident | 87.7 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -51.4 | -36.9 | -179.7 | -172.1 | 164.5 | 0 | 0 | 0 | 113.2 | I51 V82 K83 | I51-I79 HydrophobicContact CB-CB 4.36Å; I51-I79 HydrophobicContact CD1-CB 4.27Å; I51-I79 HydrophobicContact CD1-CG1 4.08Å; I79-V82 PolarHBondContact O-N 3.26Å; I79-K83 HydrophobicContact CG1-CD 4.11Å; I79-K83 HydrophobicContact CG1-CG 4.31Å; I79-K83 WeakPolarHBondContact O-CB 3.2Å; I79-K83 WeakPolarHBondContact O-CG 3.49Å; I79-K83 PolarHBondContact O-N 3.4Å |
| 80 | D | 88.8 | Confident | 87.6 | Confident | 118 Ų | 118 | 67.7 Ų | 67.7 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.3 | -38.4 | 179.2 | -63 | -33 | 0 | 0 | 0 | 112.3 | H78 E84 | H78-D80 PolarHBondContact O-N 2.92Å; H78-D80 VanDerWaalsContact O-N 3.09Å; D80-E84 VanDerWaalsContact O-CB 3.26Å; D80-E84 WeakPolarHBondContact O-CB 3.26Å; D80-E84 PolarHBondContact O-N 2.9Å |
| 81 | Q | 89.5 | Confident | 87.4 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 176.3 | -65.5 | 172.5 | -13.6 | 0 | 0 | 111.2 | H78 E84 A85 | H78-Q81 HydrophobicContact CB-CG 4.44Å; H78-Q81 WeakPolarHBondContact O-CB 3.21Å; H78-Q81 PolarHBondContact O-N 3.21Å; Q81-E84 PolarHBondContact O-N 2.99Å; Q81-A85 PolarHBondContact O-N 2.97Å |
| 82 | V | 92.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -50.4 | 176.5 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | I46 I51 V58 L71 Q77 H78 I79 E84 A85 F86 | I46-V82 HydrophobicContact CD1-CG1 4.26Å; I46-V82 HydrophobicContact CG2-CG1 3.85Å; I51-V82 HydrophobicContact CD1-CB 3.77Å; I51-V82 HydrophobicContact CD1-CG1 3.89Å; I51-V82 HydrophobicContact CD1-CG2 3.74Å; I51-V82 HydrophobicContact CG2-CG2 3.95Å; V58-V82 HydrophobicContact CB-CG1 3.98Å; V58-V82 HydrophobicContact CB-CG2 4.44Å; V58-V82 HydrophobicContact CG1-CG1 3.91Å; V58-V82 HydrophobicContact CG2-CG1 4.19Å; L71-V82 HydrophobicContact CD2-CB 4.28Å; L71-V82 HydrophobicContact CD2-CG1 4.03Å; L71-V82 HydrophobicContact CD2-CG2 3.93Å; Q77-V82 HydrophobicContact CB-CG2 4.23Å; H78-V82 PolarHBondContact O-N 3.37Å; H78-V82 VanDerWaalsContact O-N 3.14Å; I79-V82 PolarHBondContact O-N 3.26Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 2.79Å; V82-A85 WeakPolarHBondContact O-CB 3.35Å; V82-A85 PolarHBondContact O-N 3.34Å; V82-A85 VanDerWaalsContact O-N 3.08Å; V82-F86 HydrophobicContact CG1-CD2 4.1Å; V82-F86 HydrophobicContact CG1-CE2 4.03Å; V82-F86 WeakPolarHBondContact O-CD2 3.15Å; V82-F86 PolarHBondContact O-N 2.74Å; V82-F86 VanDerWaalsContact O-N 3.11Å |
| 83 | K | 92.3 | Very high | 86 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 39% | 0.387 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 176.4 | -75.8 | -179.7 | 175.2 | 179 | 0 | 112.2 | I79 A85 F86 H87 | I79-K83 HydrophobicContact CG1-CD 4.11Å; I79-K83 HydrophobicContact CG1-CG 4.31Å; I79-K83 WeakPolarHBondContact O-CB 3.2Å; I79-K83 WeakPolarHBondContact O-CG 3.49Å; I79-K83 PolarHBondContact O-N 3.4Å; K83-A85 VanDerWaalsContact C-N 3.35Å; K83-A85 PolarHBondContact O-N 3.07Å; K83-F86 PolarHBondContact O-N 3.48Å; K83-H87 VanDerWaalsContact O-CB 3.29Å; K83-H87 WeakPolarHBondContact O-CB 3.34Å; K83-H87 PolarHBondContact O-N 2.97Å |
| 84 | E | 92.4 | Very high | 85.1 | Confident | 101 Ų | 101 | 68 Ų | 68 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 176.5 | -171.9 | -177 | 174.8 | 0 | 0 | 112.1 | D80 Q81 V82 H87 K88 | D80-E84 VanDerWaalsContact O-CB 3.26Å; D80-E84 WeakPolarHBondContact O-CB 3.26Å; D80-E84 PolarHBondContact O-N 2.9Å; Q81-E84 PolarHBondContact O-N 2.99Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 2.79Å; E84-H87 PolarHBondContact O-N 3.18Å; E84-K88 VanDerWaalsContact CD-NZ 3.33Å; E84-K88 HydrophobicContact CG-CD 4.27Å; E84-K88 WeakPolarHBondContact O-CB 3.36Å; E84-K88 VanDerWaalsContact O-CG 3.29Å; E84-K88 WeakPolarHBondContact O-CG 3.29Å; E84-K88 PolarHBondContact O-N 3Å; E84-K88 WeakPolarHBondContact OE1-CE 3.5Å; E84-K88 IonicContact OE1-NZ 2.88Å; E84-K88 PolarHBondContact OE1-NZ 2.73Å |
| 85 | A | 93.5 | Very high | 85 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 11% | 0.107 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L60 L71 Q81 V82 K83 K88 | L60-A85 HydrophobicContact CD2-CB 4.3Å; L71-A85 HydrophobicContact CB-CB 4.28Å; L71-A85 HydrophobicContact CD2-CB 4.49Å; Q81-A85 PolarHBondContact O-N 2.97Å; V82-A85 WeakPolarHBondContact O-CB 3.35Å; V82-A85 PolarHBondContact O-N 3.34Å; V82-A85 VanDerWaalsContact O-N 3.08Å; K83-A85 VanDerWaalsContact C-N 3.35Å; K83-A85 PolarHBondContact O-N 3.07Å; A85-K88 PolarHBondContact O-N 3.37Å |
| 86 | F | 95.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 175.3 | -81.1 | -97.3 | 0 | 0 | 0 | 111.9 | F23 K39 A42 E43 I46 V58 L60 V82 K83 K88 L89 | F23-F86 HydrophobicContact CB-CE1 4.2Å; F23-F86 HydrophobicContact CB-CZ 3.79Å; F23-F86 HydrophobicContact CD1-CE1 4.22Å; F23-F86 HydrophobicContact CD1-CZ 4.21Å; F23-F86 HydrophobicContact CD2-CE1 4.48Å; F23-F86 AromaticContact CD2-CZ 3.69Å; F23-F86 HydrophobicContact CD2-CZ 3.69Å; F23-F86 HydrophobicContact CE2-CZ 4.29Å; F23-F86 HydrophobicContact CG-CE1 4.06Å; F23-F86 AromaticContact CG-CZ 3.64Å; F23-F86 HydrophobicContact CG-CZ 3.64Å; K39-F86 WeakPolarHBondContact CE-O 3.42Å; A42-F86 HydrophobicContact CB-CD1 3.77Å; A42-F86 HydrophobicContact CB-CE1 3.64Å; E43-F86 HydrophobicContact CG-CB 3.95Å; I46-F86 HydrophobicContact CD1-CB 4.34Å; I46-F86 HydrophobicContact CD1-CD1 3.64Å; I46-F86 HydrophobicContact CD1-CD2 3.21Å; I46-F86 HydrophobicContact CD1-CE1 3.64Å; I46-F86 HydrophobicContact CD1-CE2 3.19Å; I46-F86 HydrophobicContact CD1-CG 3.43Å; I46-F86 VanDerWaalsContact CD1-CG 3.43Å; I46-F86 HydrophobicContact CD1-CZ 3.41Å; I46-F86 VanDerWaalsContact CD1-CZ 3.41Å; I46-F86 HydrophobicContact CG1-CE2 4.27Å; I46-F86 HydrophobicContact CG1-CZ 4.37Å; V58-F86 HydrophobicContact CG1-CE2 4.04Å; V58-F86 HydrophobicContact CG1-CZ 4.42Å; L60-F86 HydrophobicContact CB-CE2 4.07Å; L60-F86 HydrophobicContact CB-CZ 4.15Å; L60-F86 HydrophobicContact CD1-CD1 4.46Å; L60-F86 HydrophobicContact CD1-CE1 3.74Å; L60-F86 HydrophobicContact CD1-CE2 4.27Å; L60-F86 HydrophobicContact CD1-CZ 3.65Å; L60-F86 HydrophobicContact CD2-CD1 4.26Å; L60-F86 HydrophobicContact CD2-CD2 3.82Å; L60-F86 HydrophobicContact CD2-CE1 4.2Å; L60-F86 HydrophobicContact CD2-CE2 3.78Å; L60-F86 HydrophobicContact CD2-CG 4.08Å; L60-F86 HydrophobicContact CD2-CZ 3.98Å; L60-F86 HydrophobicContact CG-CE1 4.49Å; L60-F86 HydrophobicContact CG-CE2 4.25Å; L60-F86 HydrophobicContact CG-CZ 4.12Å; V82-F86 HydrophobicContact CG1-CD2 4.1Å; V82-F86 HydrophobicContact CG1-CE2 4.03Å; V82-F86 WeakPolarHBondContact O-CD2 3.15Å; V82-F86 PolarHBondContact O-N 2.74Å; V82-F86 VanDerWaalsContact O-N 3.11Å; K83-F86 PolarHBondContact O-N 3.48Å; F86-K88 PolarHBondContact O-N 3.28Å; F86-L89 HydrophobicContact CB-CD1 4.38Å; F86-L89 HydrophobicContact CD1-CD1 3.73Å; F86-L89 HydrophobicContact CE1-CD1 4.37Å; F86-L89 HydrophobicContact CG-CD1 4.32Å; F86-L89 WeakPolarHBondContact O-CB 3.07Å; F86-L89 WeakPolarHBondContact O-CG 3.48Å; F86-L89 PolarHBondContact O-N 2.8Å |
| 87 | H | 93.2 | Very high | 86 | Confident | 131 Ų | 131 | 63.7 Ų | 63.7 | 61% | 0.606 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.1 | -32.2 | 176.7 | -173.4 | 70 | 0 | 0 | 0 | 112.5 | K39 K83 E84 L89 | K39-H87 PolarHBondContact NZ-O 2.87Å; K83-H87 VanDerWaalsContact O-CB 3.29Å; K83-H87 WeakPolarHBondContact O-CB 3.34Å; K83-H87 PolarHBondContact O-N 2.97Å; E84-H87 PolarHBondContact O-N 3.18Å; H87-L89 VanDerWaalsContact C-N 3.33Å |
| 88 | K | 92.3 | Very high | 86.3 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9.2 | 177.2 | -75.8 | 172.6 | -176.8 | 166.6 | 0 | 114.8 | E84 A85 F86 R90 | E84-K88 VanDerWaalsContact CD-NZ 3.33Å; E84-K88 HydrophobicContact CG-CD 4.27Å; E84-K88 WeakPolarHBondContact O-CB 3.36Å; E84-K88 VanDerWaalsContact O-CG 3.29Å; E84-K88 WeakPolarHBondContact O-CG 3.29Å; E84-K88 PolarHBondContact O-N 3Å; E84-K88 WeakPolarHBondContact OE1-CE 3.5Å; E84-K88 IonicContact OE1-NZ 2.88Å; E84-K88 PolarHBondContact OE1-NZ 2.73Å; A85-K88 PolarHBondContact O-N 3.37Å; F86-K88 PolarHBondContact O-N 3.28Å; K88-R90 PolarHBondContact O-N 3.45Å |
| 89 | L | 93.9 | Very high | 86.6 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | trans | -54.5 | 133.9 | 171.5 | -73 | 167.4 | 0 | 0 | 0 | 109.6 | F25 F35 K39 L60 E62 L70 F86 H87 | F25-L89 HydrophobicContact CD1-CD1 4.28Å; F25-L89 HydrophobicContact CD1-CD2 4.46Å; F25-L89 HydrophobicContact CD2-CD1 3.86Å; F25-L89 HydrophobicContact CE1-CD1 4.49Å; F25-L89 HydrophobicContact CE2-CD1 4.08Å; F25-L89 HydrophobicContact CG-CD1 3.98Å; F25-L89 HydrophobicContact CG-CD2 4.43Å; F25-L89 HydrophobicContact CZ-CD1 4.4Å; F35-L89 HydrophobicContact CZ-CB 4.07Å; K39-L89 HydrophobicContact CD-CB 4.31Å; K39-L89 PolarHBondContact NZ-O 2.73Å; L60-L89 HydrophobicContact CD1-CD1 4.47Å; L60-L89 HydrophobicContact CD1-CD2 4.41Å; L60-L89 HydrophobicContact CD2-CD1 4.24Å; L60-L89 HydrophobicContact CD2-CD2 4.1Å; L60-L89 HydrophobicContact CD2-CG 4.16Å; E62-L89 HydrophobicContact CB-CD2 3.73Å; E62-L89 HydrophobicContact CG-CD2 3.67Å; E62-L89 WeakPolarHBondContact OE1-CD2 3.35Å; L70-L89 HydrophobicContact CD1-CD2 3.56Å; L70-L89 HydrophobicContact CD1-CG 4.34Å; F86-L89 HydrophobicContact CB-CD1 4.38Å; F86-L89 HydrophobicContact CD1-CD1 3.73Å; F86-L89 HydrophobicContact CE1-CD1 4.37Å; F86-L89 HydrophobicContact CG-CD1 4.32Å; F86-L89 WeakPolarHBondContact O-CB 3.07Å; F86-L89 WeakPolarHBondContact O-CG 3.48Å; F86-L89 PolarHBondContact O-N 2.8Å; H87-L89 VanDerWaalsContact C-N 3.33Å | ||
| 90 | R | 90.7 | Very high | 86.8 | Confident | 193 Ų | 193 | 58 Ų | 58 | 73% | 0.728 | 28% | 0.275 | S | S | * | . | trans | -135.6 | 140.2 | 179.1 | -70 | 179.1 | -177.9 | -163.4 | -1.7 | 108.6 | E62 K88 I92 | E62-R90 PolarHBondContact OE1-N 3.29Å; K88-R90 PolarHBondContact O-N 3.45Å; R90-I92 WeakPolarHBondContact O-CG1 3.46Å; R90-I92 PolarHBondContact O-N 2.91Å; R90-I92 VanDerWaalsContact O-N 3.15Å | ||
| 91 | H | 88.7 | Confident | 87.1 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -55.5 | 123.8 | 169 | -177.1 | -103.3 | 0 | 0 | 0 | 109.9 | S27 S28 E32 F35 | S27-H91 PolarHBondContact O-CD2 3.43Å; S28-H91 PolarHBondContact O-CD2 2.84Å; S28-H91 PolarHBondContact O-NE2 3.11Å; E32-H91 WeakPolarHBondContact CB-NE2 3.45Å; E32-H91 IonicContact OE2-CE1 3.92Å; F35-H91 HydrophobicContact CD1-CB 4.24Å; F35-H91 HydrophobicContact CD2-CB 4.37Å; F35-H91 HydrophobicContact CE1-CB 4.41Å; F35-H91 HydrophobicContact CG-CB 4.23Å; F35-H91 VanDerWaalsContact CZ-N 3.3Å | ||
| 92 | I | 82.2 | Confident | 87.5 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | trans | -98.1 | -33.6 | -178.3 | -57.9 | 177.8 | 0 | 0 | 0 | 109.7 | S27 E62 S64 Y66 R90 | S27-I92 PolarHBondContact O-N 3.28Å; E62-I92 HydrophobicContact CG-CD1 3.93Å; S64-I92 WeakPolarHBondContact OG-CB 3.47Å; S64-I92 WeakPolarHBondContact OG-CG2 3.47Å; Y66-I92 HydrophobicContact CE1-CG2 4.45Å; Y66-I92 HydrophobicContact CE2-CD1 4.19Å; R90-I92 WeakPolarHBondContact O-CG1 3.46Å; R90-I92 PolarHBondContact O-N 2.91Å; R90-I92 VanDerWaalsContact O-N 3.15Å | ||
| 93 | G | 74.4 | Confident | 87.7 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | trans | 67.1 | -179.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S27 S64 | S27-G93 PolarHBondContact O-N 3.17Å; S64-G93 VanDerWaalsContact CB-O 3.3Å; S64-G93 WeakPolarHBondContact CB-O 3.2Å; S64-G93 PolarHBondContact OG-O 2.91Å | ||
| 94 | G | 67.9 | Low | 87.9 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 32% | 0.32 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 96 | -173.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q29 | Q29-G94 PolarHBondContact N-O 3.17Å; Q29-G94 VanDerWaalsContact N-O 3.12Å |
| 95 | Y | 69.8 | Low | 88.2 | Confident | 116 Ų | 116 | 46.6 Ų | 46.6 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | trans | -72.3 | 161.4 | 178.5 | 55 | -96.6 | 0 | 0 | 0 | 111.7 | S64 R65 L97 | S64-Y95 CarbonylContact C-O 3.53Å; R65-Y95 VanDerWaalsContact CA-CE2 3.49Å; R65-Y95 VanDerWaalsContact CA-O 3.27Å; R65-Y95 WeakPolarHBondContact CA-O 3.31Å; R65-Y95 HydrophobicContact CB-CD1 3.99Å; R65-Y95 HydrophobicContact CB-CD2 3.88Å; R65-Y95 HydrophobicContact CB-CE1 3.68Å; R65-Y95 HydrophobicContact CB-CE2 3.56Å; R65-Y95 HydrophobicContact CB-CG 4.08Å; R65-Y95 VanDerWaalsContact CB-CZ 3.46Å; R65-Y95 PolarHBondContact N-O 3.03Å; R65-Y95 WeakPolarHBondContact O-CE2 3.28Å; R65-Y95 PolarHBondContact O-OH 3.08Å; Y95-L97 HydrophobicContact CD2-CD1 4.39Å; Y95-L97 HydrophobicContact CD2-CD2 4.19Å; Y95-L97 HydrophobicContact CD2-CG 3.92Å; Y95-L97 HydrophobicContact CE2-CD1 3.79Å; Y95-L97 HydrophobicContact CE2-CD2 4.28Å; Y95-L97 HydrophobicContact CE2-CG 3.84Å | ||
| 96 | T | 72.4 | Confident | 88.3 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | trans | -107.6 | 113.1 | -170.1 | -48.7 | 0 | 0 | 0 | 0 | 110.9 | D26 S28 Y63 S129 F130 | D26-T96 WeakPolarHBondContact OD2-CG2 3.45Å; S28-T96 WeakPolarHBondContact CB-OG1 3.3Å; S28-T96 PolarHBondContact OG-OG1 2.92Å; Y63-T96 HydrophobicContact CD2-CG2 4.48Å; Y63-T96 HydrophobicContact CE2-CG2 3.65Å; T96-S129 CarbonylContact O-C 3.54Å; T96-S129 WeakPolarHBondContact O-CA 3.33Å; T96-S129 PolarHBondContact O-OG 3.23Å; T96-F130 PolarHBondContact O-N 2.88Å | ||
| 97 | L | 81.2 | Confident | 88.4 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -105.6 | 75.4 | 173.1 | -63.6 | -178.5 | 0 | 0 | 0 | 111.1 | S64 Y95 D100 A101 F130 N131 | S64-L97 PolarHBondContact O-N 2.86Å; Y95-L97 HydrophobicContact CD2-CD1 4.39Å; Y95-L97 HydrophobicContact CD2-CD2 4.19Å; Y95-L97 HydrophobicContact CD2-CG 3.92Å; Y95-L97 HydrophobicContact CE2-CD1 3.79Å; Y95-L97 HydrophobicContact CE2-CD2 4.28Å; Y95-L97 HydrophobicContact CE2-CG 3.84Å; L97-D100 HydrophobicContact CB-CB 4.2Å; L97-D100 WeakPolarHBondContact CD1-OD2 3.39Å; L97-D100 PolarHBondContact O-N 2.89Å; L97-A101 PolarHBondContact O-N 2.72Å; L97-F130 HydrophobicContact CD2-CB 4.32Å; L97-N131 VanDerWaalsContact CA-OD1 3.23Å; L97-N131 WeakPolarHBondContact CA-OD1 3.14Å | ||
| 98 | T | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | -176.7 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | Y63 D100 A101 V102 L123 S129 N131 E163 Y167 | Y63-T98 PolarHBondContact OH-OG1 3.18Å; T98-D100 VanDerWaalsContact C-N 3.32Å; T98-D100 PolarHBondContact O-N 2.85Å; T98-A101 PolarHBondContact O-N 2.93Å; T98-A101 VanDerWaalsContact O-N 3.17Å; T98-V102 HydrophobicContact CG2-CG2 4Å; T98-V102 WeakPolarHBondContact O-CB 3.37Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.34Å; T98-V102 PolarHBondContact O-N 3.17Å; T98-L123 HydrophobicContact CG2-CD1 4.24Å; T98-L123 HydrophobicContact CG2-CD2 4.26Å; T98-S129 PolarHBondContact N-OG 2.91Å; T98-S129 VanDerWaalsContact N-OG 3.08Å; T98-S129 WeakPolarHBondContact OG1-CB 3.48Å; T98-N131 PolarHBondContact N-OD1 2.92Å; T98-N131 VanDerWaalsContact N-OD1 3.15Å; T98-E163 VanDerWaalsContact CB-OE1 3.29Å; T98-E163 WeakPolarHBondContact CB-OE1 3.41Å; T98-E163 PolarHBondContact OG1-OE1 3.09Å; T98-Y167 HydrophobicContact CG2-CD2 4.11Å; T98-Y167 HydrophobicContact CG2-CE2 3.47Å; T98-Y167 VanDerWaalsContact CG2-CE2 3.47Å |
| 99 | A | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A101 V102 K103 N131 E135 T139 Y167 | A99-A101 VanDerWaalsContact C-N 3.34Å; A99-A101 PolarHBondContact O-N 2.72Å; A99-V102 PolarHBondContact O-N 2.87Å; A99-K103 VanDerWaalsContact O-CB 3.28Å; A99-K103 WeakPolarHBondContact O-CB 3.43Å; A99-K103 PolarHBondContact O-N 3.14Å; A99-N131 HydrophobicContact CB-CB 3.88Å; A99-N131 VanDerWaalsContact CB-CG 3.43Å; A99-N131 WeakPolarHBondContact CB-OD1 3.46Å; A99-N131 PolarHBondContact N-OD1 2.83Å; A99-E135 HydrophobicContact CB-CB 4.39Å; A99-T139 HydrophobicContact CB-CG2 4.43Å; A99-T139 WeakPolarHBondContact O-CG2 3.42Å; A99-Y167 WeakPolarHBondContact CA-OH 3.39Å; A99-Y167 VanDerWaalsContact CB-OH 3.3Å; A99-Y167 WeakPolarHBondContact CB-OH 3.49Å; A99-Y167 PolarHBondContact N-OH 2.89Å |
| 100 | D | 91.8 | Very high | 88.5 | Confident | 67 Ų | 67 | 44.9 Ų | 44.9 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.3 | -69.1 | -11.1 | 0 | 0 | 0 | 111.2 | N67 L97 T98 K103 T104 | N67-D100 VanDerWaalsContact ND2-C 3.28Å; N67-D100 PolarHBondContact ND2-O 3.35Å; L97-D100 HydrophobicContact CB-CB 4.2Å; L97-D100 WeakPolarHBondContact CD1-OD2 3.39Å; L97-D100 PolarHBondContact O-N 2.89Å; T98-D100 VanDerWaalsContact C-N 3.32Å; T98-D100 PolarHBondContact O-N 2.85Å; D100-K103 PolarHBondContact O-N 2.9Å; D100-T104 PolarHBondContact O-N 3.32Å; D100-T104 VanDerWaalsContact O-N 3.07Å; D100-T104 PolarHBondContact O-OG1 2.88Å |
| 101 | A | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.8 | -40.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V24 V61 Y63 N67 L97 T98 A99 K103 T104 G105 | V24-A101 HydrophobicContact CG1-CB 3.6Å; V61-A101 HydrophobicContact CG1-CB 4.42Å; Y63-A101 HydrophobicContact CD1-CB 3.49Å; Y63-A101 VanDerWaalsContact CD1-CB 3.49Å; Y63-A101 HydrophobicContact CD2-CB 3.64Å; Y63-A101 HydrophobicContact CE1-CB 4.04Å; Y63-A101 HydrophobicContact CE2-CB 4.16Å; Y63-A101 HydrophobicContact CG-CB 3.26Å; N67-A101 HydrophobicContact CB-CB 4.15Å; L97-A101 PolarHBondContact O-N 2.72Å; T98-A101 PolarHBondContact O-N 2.93Å; T98-A101 VanDerWaalsContact O-N 3.17Å; A99-A101 VanDerWaalsContact C-N 3.34Å; A99-A101 PolarHBondContact O-N 2.72Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-T104 PolarHBondContact O-N 2.76Å; A101-G105 PolarHBondContact O-N 3.3Å |
| 102 | V | 97.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | T98 A99 T104 G105 V106 F121 L123 T139 L143 Y167 | T98-V102 HydrophobicContact CG2-CG2 4Å; T98-V102 WeakPolarHBondContact O-CB 3.37Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.34Å; T98-V102 PolarHBondContact O-N 3.17Å; A99-V102 PolarHBondContact O-N 2.87Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 2.83Å; V102-G105 CarbonylContact O-C 3.56Å; V102-G105 WeakPolarHBondContact O-CA 3.3Å; V102-G105 PolarHBondContact O-N 2.85Å; V102-G105 VanDerWaalsContact O-N 3.08Å; V102-V106 HydrophobicContact CG1-CG2 4.36Å; V102-V106 WeakPolarHBondContact O-CG2 3.29Å; V102-V106 PolarHBondContact O-N 2.8Å; V102-F121 HydrophobicContact CB-CZ 4.35Å; V102-F121 HydrophobicContact CG1-CE1 4.47Å; V102-F121 HydrophobicContact CG1-CZ 3.98Å; V102-F121 HydrophobicContact CG2-CE1 4.41Å; V102-F121 HydrophobicContact CG2-CZ 4.34Å; V102-L123 HydrophobicContact CG2-CD1 4.08Å; V102-L123 HydrophobicContact CG2-CD2 4.24Å; V102-T139 HydrophobicContact CB-CG2 3.69Å; V102-T139 HydrophobicContact CG1-CG2 3.54Å; V102-L143 HydrophobicContact CG1-CB 4.13Å; V102-L143 HydrophobicContact CG1-CD2 3.96Å; V102-L143 HydrophobicContact CG1-CG 4.48Å; V102-Y167 HydrophobicContact CB-CE1 4.14Å; V102-Y167 HydrophobicContact CG1-CD1 4.15Å; V102-Y167 HydrophobicContact CG1-CE1 4.06Å; V102-Y167 HydrophobicContact CG2-CD1 4.14Å; V102-Y167 HydrophobicContact CG2-CE1 3.95Å |
| 103 | K | 97.1 | Very high | 88.3 | Confident | 132 Ų | 132 | 40 Ų | 40 | 57% | 0.574 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -58.9 | -43.1 | 174.9 | -174.8 | 173.9 | -176.7 | 168.4 | 0 | 112.5 | A99 D100 A101 G105 V106 E107 T139 | A99-K103 VanDerWaalsContact O-CB 3.28Å; A99-K103 WeakPolarHBondContact O-CB 3.43Å; A99-K103 PolarHBondContact O-N 3.14Å; D100-K103 PolarHBondContact O-N 2.9Å; A101-K103 VanDerWaalsContact C-N 3.34Å; K103-G105 VanDerWaalsContact C-N 3.33Å; K103-G105 PolarHBondContact O-N 3.38Å; K103-V106 PolarHBondContact O-N 3.45Å; K103-E107 PolarHBondContact O-N 2.85Å; K103-T139 HydrophobicContact CB-CG2 4.35Å |
| 104 | T | 96.5 | Very high | 89 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | V61 N67 D100 A101 V102 E107 E108 | V61-T104 HydrophobicContact CG1-CG2 4.13Å; V61-T104 HydrophobicContact CG2-CG2 3.83Å; N67-T104 PolarHBondContact ND2-OG1 3.3Å; N67-T104 VanDerWaalsContact ND2-OG1 3.17Å; N67-T104 PolarHBondContact OD1-OG1 3Å; D100-T104 PolarHBondContact O-N 3.32Å; D100-T104 VanDerWaalsContact O-N 3.07Å; D100-T104 PolarHBondContact O-OG1 2.88Å; A101-T104 PolarHBondContact O-N 2.76Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 2.83Å; T104-E107 PolarHBondContact O-N 3.24Å; T104-E108 PolarHBondContact O-N 2.97Å; T104-E108 VanDerWaalsContact O-N 3.08Å |
| 105 | G | 97.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A101 V102 K103 E107 E108 I109 | A101-G105 PolarHBondContact O-N 3.3Å; V102-G105 CarbonylContact O-C 3.56Å; V102-G105 WeakPolarHBondContact O-CA 3.3Å; V102-G105 PolarHBondContact O-N 2.85Å; V102-G105 VanDerWaalsContact O-N 3.08Å; K103-G105 VanDerWaalsContact C-N 3.33Å; K103-G105 PolarHBondContact O-N 3.38Å; G105-E107 VanDerWaalsContact C-N 3.34Å; G105-E108 WeakPolarHBondContact O-CB 3.21Å; G105-E108 PolarHBondContact O-N 2.89Å; G105-I109 PolarHBondContact O-N 2.81Å; G105-I109 VanDerWaalsContact O-N 3.16Å |
| 106 | V | 97.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 173.5 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | V102 K103 E108 I109 H110 L143 T146 | V102-V106 HydrophobicContact CG1-CG2 4.36Å; V102-V106 WeakPolarHBondContact O-CG2 3.29Å; V102-V106 PolarHBondContact O-N 2.8Å; K103-V106 PolarHBondContact O-N 3.45Å; V106-E108 VanDerWaalsContact C-N 3.33Å; V106-E108 PolarHBondContact O-N 3.15Å; V106-I109 PolarHBondContact O-N 3.03Å; V106-H110 PolarHBondContact O-N 3.37Å; V106-L143 HydrophobicContact CG2-CB 3.91Å; V106-L143 HydrophobicContact CG2-CD1 3.95Å; V106-T146 HydrophobicContact CB-CG2 4.4Å; V106-T146 HydrophobicContact CG1-CG2 3.77Å; V106-T146 HydrophobicContact CG2-CG2 4.17Å |
| 107 | E | 95.6 | Very high | 91.3 | Very high | 79 Ų | 79 | 44.1 Ų | 44.1 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -39.2 | 176.2 | -162.7 | 63.5 | -140.6 | 0 | 0 | 111.9 | K103 T104 G105 I109 H110 Q111 | K103-E107 PolarHBondContact O-N 2.85Å; T104-E107 PolarHBondContact O-N 3.24Å; G105-E107 VanDerWaalsContact C-N 3.34Å; E107-I109 VanDerWaalsContact C-N 3.31Å; E107-I109 PolarHBondContact O-N 3.2Å; E107-H110 PolarHBondContact O-N 2.88Å; E107-Q111 HydrophobicContact CG-CG 4.04Å; E107-Q111 WeakPolarHBondContact O-CB 3.47Å; E107-Q111 PolarHBondContact O-N 3.45Å; E107-Q111 WeakPolarHBondContact OE1-CG 3.31Å; E107-Q111 PolarHBondContact OE1-NE2 2.88Å |
| 108 | E | 94.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 46 Ų | 46 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 174.3 | -73.9 | -62.2 | 115.4 | 0 | 0 | 111.9 | V22 L69 P72 I73 T104 G105 V106 G112 G113 | V22-E108 HydrophobicContact CG2-CB 4.21Å; L69-E108 HydrophobicContact CD1-CG 3.72Å; L69-E108 HydrophobicContact CD2-CG 4.43Å; L69-E108 WeakPolarHBondContact CD2-OE1 3.41Å; P72-E108 WeakPolarHBondContact CA-OE2 3.19Å; I73-E108 HydrophobicContact CG2-CB 4.31Å; I73-E108 VanDerWaalsContact CG2-O 3.3Å; I73-E108 WeakPolarHBondContact CG2-O 3.44Å; I73-E108 PolarHBondContact N-OE2 3.4Å; T104-E108 PolarHBondContact O-N 2.97Å; T104-E108 VanDerWaalsContact O-N 3.08Å; G105-E108 WeakPolarHBondContact O-CB 3.21Å; G105-E108 PolarHBondContact O-N 2.89Å; V106-E108 VanDerWaalsContact C-N 3.33Å; V106-E108 PolarHBondContact O-N 3.15Å; E108-G112 CarbonylContact O-C 3.51Å; E108-G112 WeakPolarHBondContact O-CA 3.39Å; E108-G112 PolarHBondContact O-N 3.19Å; E108-G113 PolarHBondContact O-N 3.39Å; E108-G113 VanDerWaalsContact O-N 3.14Å |
| 109 | I | 94.4 | Very high | 92 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.8 | -68.9 | 179 | 0 | 0 | 0 | 111.1 | V22 G105 V106 E107 G113 K119 F121 T146 A148 | V22-I109 HydrophobicContact CG2-CD1 4.39Å; V22-I109 HydrophobicContact CG2-CG1 3.74Å; G105-I109 PolarHBondContact O-N 2.81Å; G105-I109 VanDerWaalsContact O-N 3.16Å; V106-I109 PolarHBondContact O-N 3.03Å; E107-I109 VanDerWaalsContact C-N 3.31Å; E107-I109 PolarHBondContact O-N 3.2Å; I109-G113 VanDerWaalsContact O-CA 3.3Å; I109-G113 WeakPolarHBondContact O-CA 3.15Å; I109-G113 PolarHBondContact O-N 3.23Å; I109-K119 HydrophobicContact CG2-CB 4.47Å; I109-K119 HydrophobicContact CG2-CD 3.95Å; I109-K119 HydrophobicContact CG2-CG 3.94Å; I109-F121 HydrophobicContact CD1-CD2 3.81Å; I109-T146 HydrophobicContact CG2-CG2 4.32Å; I109-A148 HydrophobicContact CD1-CB 3.94Å |
| 110 | H | 92.7 | Very high | 92.2 | Very high | 115 Ų | 115 | 47.4 Ų | 47.4 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.5 | -43.4 | -177.2 | -72.3 | 156.7 | 0 | 0 | 0 | 113.6 | V106 E107 | V106-H110 PolarHBondContact O-N 3.37Å; E107-H110 PolarHBondContact O-N 2.88Å |
| 111 | Q | 88.6 | Confident | 92.5 | Very high | 146 Ų | 146 | 44.2 Ų | 44.2 | 68% | 0.682 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -88.6 | -39.6 | -174.9 | -63.3 | -168.1 | -1.5 | 0 | 0 | 113.1 | E107 | E107-Q111 HydrophobicContact CG-CG 4.04Å; E107-Q111 WeakPolarHBondContact O-CB 3.47Å; E107-Q111 PolarHBondContact O-N 3.45Å; E107-Q111 WeakPolarHBondContact OE1-CG 3.31Å; E107-Q111 PolarHBondContact OE1-NE2 2.88Å |
| 112 | G | 84.1 | Confident | 92.7 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -102.4 | -22.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I73 E108 | I73-G112 VanDerWaalsContact CG2-C 3.48Å; E108-G112 CarbonylContact O-C 3.51Å; E108-G112 WeakPolarHBondContact O-CA 3.39Å; E108-G112 PolarHBondContact O-N 3.19Å |
| 113 | G | 86 | Confident | 92.7 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -63.8 | 135.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | D20 E108 I109 | D20-G113 WeakPolarHBondContact OD2-CA 3.24Å; E108-G113 PolarHBondContact O-N 3.39Å; E108-G113 VanDerWaalsContact O-N 3.14Å; I109-G113 VanDerWaalsContact O-CA 3.3Å; I109-G113 WeakPolarHBondContact O-CA 3.15Å; I109-G113 PolarHBondContact O-N 3.23Å |
| 114 | R | 87.5 | Confident | 92.7 | Very high | 35 Ų | 35 | 38 Ų | 38 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 131.3 | -179.7 | -67.8 | 173.5 | -70.6 | 174.2 | 3.3 | 110.8 | V19 D20 P53 G55 L57 G116 A117 K119 | V19-R114 PolarHBondContact O-NH2 2.82Å; V19-R114 VanDerWaalsContact O-NH2 3.17Å; D20-R114 IonicContact OD1-CZ 3.86Å; D20-R114 IonicContact OD1-NE 3.99Å; D20-R114 PolarHBondContact OD1-NE 3.43Å; D20-R114 IonicContact OD1-NH2 3.57Å; D20-R114 PolarHBondContact OD1-NH2 3.44Å; D20-R114 PolarHBondContact OD2-N 3.29Å; D20-R114 IonicContact OD2-NE 2.66Å; P53-R114 PolarHBondContact O-NH1 2.94Å; G55-R114 PolarHBondContact O-NH1 3.23Å; G55-R114 PolarHBondContact O-NH2 2.72Å; L57-R114 HydrophobicContact CD1-CG 4.08Å; R114-G116 PolarHBondContact O-N 2.89Å; R114-A117 HydrophobicContact CB-CB 3.89Å; R114-A117 WeakPolarHBondContact O-CB 3.44Å; R114-A117 PolarHBondContact O-N 3.4Å; R114-K119 PolarHBondContact O-NZ 3.24Å |
| 115 | P | 85.1 | Confident | 92.6 | Very high | 135 Ų | 135 | 36.4 Ų | 36.4 | 88% | 0.877 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 130.2 | 172.4 | -25.6 | 34.5 | 0 | 0 | 0 | 111.5 | A117 | P115-A117 VanDerWaalsContact C-N 3.27Å; P115-A117 PolarHBondContact O-N 3.14Å |
| 116 | G | 84.6 | Confident | 91.7 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 65% | 0.649 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -6.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | R114 | R114-G116 PolarHBondContact O-N 2.89Š|
| 117 | A | 89 | Confident | 90.4 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -76.1 | 139 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P18 R114 P115 K119 | P18-A117 HydrophobicContact CB-CB 3.81Å; P18-A117 HydrophobicContact CG-CB 3.81Å; P18-A117 CarbonylContact O-C 3.5Å; P18-A117 WeakPolarHBondContact O-CA 3.08Å; P18-A117 WeakPolarHBondContact O-CB 3Å; R114-A117 HydrophobicContact CB-CB 3.89Å; R114-A117 WeakPolarHBondContact O-CB 3.44Å; R114-A117 PolarHBondContact O-N 3.4Å; P115-A117 VanDerWaalsContact C-N 3.27Å; P115-A117 PolarHBondContact O-N 3.14Å; A117-K119 PolarHBondContact O-NZ 3.36Å |
| 118 | E | 91.1 | Very high | 89.5 | Confident | 70 Ų | 70 | 34.5 Ų | 34.5 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 139 | 172.5 | -65.5 | -67 | 149.5 | 0 | 0 | 109.6 | K17 P18 V19 D20 | K17-E118 HydrophobicContact CB-CG 4.46Å; K17-E118 HydrophobicContact CD-CG 4.14Å; K17-E118 WeakPolarHBondContact CD-OE1 3.29Å; K17-E118 IonicContact NZ-OE1 3.91Å; K17-E118 PolarHBondContact NZ-OE1 3.21Å; P18-E118 PolarHBondContact O-N 3.41Å; V19-E118 WeakPolarHBondContact CA-O 3.06Å; V19-E118 HydrophobicContact CG2-CB 4.38Å; D20-E118 PolarHBondContact N-O 2.94Å |
| 119 | K | 94 | Very high | 88.7 | Confident | 28 Ų | 28 | 33.9 Ų | 33.9 | 12% | 0.122 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.3 | -178.1 | -56.7 | -58.4 | -177.9 | -112.6 | 0 | 109.9 | D20 I109 R114 A117 A148 K149 | D20-K119 HydrophobicContact CB-CD 3.81Å; D20-K119 IonicContact OD2-NZ 3.8Å; D20-K119 PolarHBondContact OD2-NZ 2.74Å; I109-K119 HydrophobicContact CG2-CB 4.47Å; I109-K119 HydrophobicContact CG2-CD 3.95Å; I109-K119 HydrophobicContact CG2-CG 3.94Å; R114-K119 PolarHBondContact O-NZ 3.24Å; A117-K119 PolarHBondContact O-NZ 3.36Å; K119-A148 HydrophobicContact CB-CB 3.62Å; K119-A148 CarbonylContact O-C 3.52Å; K119-A148 VanDerWaalsContact O-CA 3.29Å; K119-A148 WeakPolarHBondContact O-CA 3.33Å; K119-K149 PolarHBondContact O-N 2.89Å |
| 120 | L | 96 | Very high | 87.8 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.8 | 174.1 | -178.1 | 63.3 | 0 | 0 | 0 | 109.1 | D20 V21 V22 V122 K149 I151 F187 L190 T191 | D20-L120 PolarHBondContact O-N 2.75Å; V21-L120 CarbonylContact C-O 3.46Å; V21-L120 VanDerWaalsContact CA-O 3.28Å; V21-L120 WeakPolarHBondContact CA-O 3.22Å; V21-L120 HydrophobicContact CG1-CB 4.32Å; V21-L120 HydrophobicContact CG1-CD2 4.14Å; V21-L120 HydrophobicContact CG1-CG 4.25Å; V21-L120 HydrophobicContact CG2-CB 4.26Å; V21-L120 HydrophobicContact CG2-CD2 4.26Å; V22-L120 PolarHBondContact N-O 2.85Å; L120-V122 HydrophobicContact CD2-CG2 4.36Å; L120-V122 HydrophobicContact CG-CG2 4.16Å; L120-K149 CarbonylContact C-O 3.47Å; L120-K149 WeakPolarHBondContact CA-O 3.39Å; L120-K149 HydrophobicContact CD1-CB 3.93Å; L120-K149 WeakPolarHBondContact CD1-O 3.29Å; L120-I151 HydrophobicContact CD1-CD1 4.12Å; L120-I151 HydrophobicContact CD1-CG1 4.19Å; L120-F187 HydrophobicContact CD2-CD2 3.77Å; L120-F187 HydrophobicContact CD2-CE2 3.48Å; L120-F187 VanDerWaalsContact CD2-CE2 3.48Å; L120-F187 HydrophobicContact CD2-CZ 4.22Å; L120-L190 HydrophobicContact CD1-CD1 3.79Å; L120-T191 HydrophobicContact CD2-CG2 3.67Å |
| 121 | F | 98.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.7 | 177.1 | -163.3 | -78.8 | 0 | 0 | 0 | 108.7 | V22 V24 V102 I109 L123 L143 A148 K149 V150 I151 | V22-F121 HydrophobicContact CB-CD2 4.27Å; V22-F121 HydrophobicContact CG1-CD2 4.38Å; V22-F121 HydrophobicContact CG1-CE2 4.19Å; V24-F121 HydrophobicContact CB-CE1 4.13Å; V24-F121 HydrophobicContact CB-CZ 4.16Å; V24-F121 HydrophobicContact CG2-CE1 3.71Å; V24-F121 HydrophobicContact CG2-CE2 4.03Å; V24-F121 HydrophobicContact CG2-CZ 3.29Å; V102-F121 HydrophobicContact CB-CZ 4.35Å; V102-F121 HydrophobicContact CG1-CE1 4.47Å; V102-F121 HydrophobicContact CG1-CZ 3.98Å; V102-F121 HydrophobicContact CG2-CE1 4.41Å; V102-F121 HydrophobicContact CG2-CZ 4.34Å; I109-F121 HydrophobicContact CD1-CD2 3.81Å; F121-L123 HydrophobicContact CD1-CB 4.3Å; F121-L123 HydrophobicContact CE1-CB 4.08Å; F121-L143 HydrophobicContact CB-CD1 4.02Å; F121-L143 HydrophobicContact CD1-CD1 4.1Å; F121-L143 HydrophobicContact CD1-CD2 4.23Å; F121-L143 HydrophobicContact CD2-CD1 3.41Å; F121-L143 VanDerWaalsContact CD2-CD1 3.41Å; F121-L143 HydrophobicContact CE1-CD1 4.4Å; F121-L143 HydrophobicContact CE1-CD2 4.32Å; F121-L143 HydrophobicContact CE2-CD1 3.74Å; F121-L143 HydrophobicContact CG-CD1 3.58Å; F121-L143 HydrophobicContact CZ-CD1 4.22Å; F121-A148 HydrophobicContact CB-CB 4.31Å; F121-K149 PolarHBondContact N-O 2.62Å; F121-V150 HydrophobicContact CB-CG2 4.38Å; F121-V150 CarbonylContact O-C 3.51Å; F121-V150 WeakPolarHBondContact O-CA 3.21Å; F121-I151 PolarHBondContact O-N 3.45Å |
| 122 | V | 98.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 103.4 | 179.2 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | V21 V22 F23 V24 L120 I124 I151 I153 F187 | V21-V122 HydrophobicContact CG1-CG2 3.89Å; V22-V122 PolarHBondContact O-N 2.84Å; F23-V122 WeakPolarHBondContact CA-O 3.24Å; F23-V122 HydrophobicContact CD1-CB 3.7Å; F23-V122 HydrophobicContact CD1-CG1 3.76Å; F23-V122 HydrophobicContact CD1-CG2 4.31Å; F23-V122 HydrophobicContact CE1-CB 3.86Å; F23-V122 HydrophobicContact CE1-CG1 3.76Å; F23-V122 HydrophobicContact CE1-CG2 4.03Å; F23-V122 HydrophobicContact CG-CB 4.26Å; F23-V122 HydrophobicContact CZ-CG2 4.28Å; V24-V122 PolarHBondContact N-O 3.01Å; L120-V122 HydrophobicContact CD2-CG2 4.36Å; L120-V122 HydrophobicContact CG-CG2 4.16Å; V122-I124 HydrophobicContact CG1-CD1 4.39Å; V122-I124 HydrophobicContact CG1-CG1 4.07Å; V122-I151 CarbonylContact C-O 3.53Å; V122-I151 WeakPolarHBondContact CA-O 3.47Å; V122-I151 HydrophobicContact CG1-CG2 4.44Å; V122-I153 HydrophobicContact CG1-CD1 4.03Å; V122-F187 HydrophobicContact CG2-CD2 4.44Å; V122-F187 HydrophobicContact CG2-CE2 3.92Å |
| 123 | L | 98.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.5 | 174.7 | -179.6 | 60.5 | 0 | 0 | 0 | 109.4 | V24 T98 V102 F121 T125 I151 I152 I153 Y167 | V24-L123 HydrophobicContact CB-CD1 3.9Å; V24-L123 HydrophobicContact CG1-CD1 3.79Å; T98-L123 HydrophobicContact CG2-CD1 4.24Å; T98-L123 HydrophobicContact CG2-CD2 4.26Å; V102-L123 HydrophobicContact CG2-CD1 4.08Å; V102-L123 HydrophobicContact CG2-CD2 4.24Å; F121-L123 HydrophobicContact CD1-CB 4.3Å; F121-L123 HydrophobicContact CE1-CB 4.08Å; L123-T125 HydrophobicContact CD1-CG2 4.14Å; L123-T125 HydrophobicContact CD2-CG2 3.87Å; L123-T125 HydrophobicContact CG-CG2 3.68Å; L123-I151 PolarHBondContact N-O 2.92Å; L123-I152 HydrophobicContact CB-CG1 4.24Å; L123-I152 HydrophobicContact CD2-CD1 4.28Å; L123-I152 HydrophobicContact CD2-CG1 4.46Å; L123-I152 CarbonylContact O-C 3.59Å; L123-I152 WeakPolarHBondContact O-CA 3.3Å; L123-I153 PolarHBondContact O-N 3.43Å; L123-Y167 HydrophobicContact CD2-CD2 3.97Å; L123-Y167 HydrophobicContact CD2-CG 4.08Å |
| 124 | I | 98 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 104.9 | 177.9 | -55.8 | -173.9 | 0 | 0 | 0 | 106.8 | F23 V24 F25 D26 Q38 A42 V122 I153 | F23-I124 HydrophobicContact CD1-CD1 4.25Å; V24-I124 PolarHBondContact O-N 2.8Å; F25-I124 HydrophobicContact CD2-CB 4.37Å; F25-I124 HydrophobicContact CD2-CD1 3.77Å; F25-I124 HydrophobicContact CD2-CG2 4.48Å; F25-I124 HydrophobicContact CE2-CD1 3.86Å; F25-I124 HydrophobicContact CE2-CG2 4.29Å; D26-I124 WeakPolarHBondContact CB-O 3.43Å; D26-I124 PolarHBondContact N-O 2.9Å; Q38-I124 HydrophobicContact CB-CG2 3.76Å; Q38-I124 HydrophobicContact CG-CG2 3.72Å; A42-I124 HydrophobicContact CB-CD1 3.9Å; V122-I124 HydrophobicContact CG1-CD1 4.39Å; V122-I124 HydrophobicContact CG1-CG1 4.07Å; I124-I153 WeakPolarHBondContact CA-O 3.37Å; I124-I153 HydrophobicContact CD1-CD1 4.34Å; I124-I153 HydrophobicContact CG1-CB 4.2Å; I124-I153 HydrophobicContact CG1-CD1 4.32Å |
| 125 | T | 93.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -162.2 | 155.5 | -173.9 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | D26 Y63 L123 G127 I153 A154 L164 | D26-T125 PolarHBondContact OD2-OG1 2.78Å; Y63-T125 WeakPolarHBondContact OH-CB 3.29Å; Y63-T125 PolarHBondContact OH-OG1 2.83Å; Y63-T125 VanDerWaalsContact OH-OG1 3.05Å; L123-T125 HydrophobicContact CD1-CG2 4.14Å; L123-T125 HydrophobicContact CD2-CG2 3.87Å; L123-T125 HydrophobicContact CG-CG2 3.68Å; T125-G127 PolarHBondContact OG1-N 2.85Å; T125-G127 VanDerWaalsContact OG1-N 3.12Å; T125-I153 PolarHBondContact N-O 3.1Å; T125-A154 WeakPolarHBondContact O-CA 3.37Å; T125-A154 WeakPolarHBondContact O-CB 3.07Å; T125-L164 HydrophobicContact CG2-CD2 3.61Å | ||
| 126 | D | 78.7 | Confident | 85.5 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -89.7 | -4.1 | 167.5 | 61.1 | -23.8 | 0 | 0 | 0 | 114 | S30 V31 A156 L159 Y160 | S30-D126 WeakPolarHBondContact CB-OD2 3.21Å; S30-D126 PolarHBondContact OG-OD1 2.8Å; S30-D126 VanDerWaalsContact OG-OD1 3.09Å; S30-D126 PolarHBondContact OG-OD2 3.19Å; V31-D126 HydrophobicContact CG1-CB 3.93Å; V31-D126 VanDerWaalsContact CG1-CG 3.43Å; V31-D126 VanDerWaalsContact CG1-OD1 3.27Å; V31-D126 WeakPolarHBondContact CG1-OD1 3.37Å; D126-A156 HydrophobicContact CB-CB 3.35Å; D126-L159 HydrophobicContact CB-CD2 3.96Å; D126-L159 WeakPolarHBondContact O-CA 3.01Å; D126-Y160 PolarHBondContact O-N 2.85Å; D126-Y160 VanDerWaalsContact O-N 3.1Å | ||
| 127 | G | 69 | Low | 85.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | 81 | -153.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T125 | T125-G127 PolarHBondContact OG1-N 2.85Å; T125-G127 VanDerWaalsContact OG1-N 3.12Å | ||
| 128 | H | 77 | Confident | 85.4 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 20% | 0.199 | 18% | 0.181 | C | C | . | . | trans | 64.9 | 40.1 | -174 | -54 | -83.3 | 0 | 0 | 0 | 112.9 | F130 S158 Y160 E163 | H128-F130 PolarHBondContact O-N 3.16Å; H128-S158 PolarHBondContact CD2-O 3.12Å; H128-S158 PolarHBondContact NE2-O 2.76Å; H128-S158 PolarHBondContact NE2-OG 3.05Å; H128-Y160 PolarHBondContact NE2-N 3.08Å; H128-E163 PolarHBondContact N-OE2 3.14Å | ||
| 129 | S | 78.7 | Confident | 85.5 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | trans | -62.5 | 142.7 | 170.5 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | T96 T98 N131 E163 | T96-S129 CarbonylContact O-C 3.54Å; T96-S129 WeakPolarHBondContact O-CA 3.33Å; T96-S129 PolarHBondContact O-OG 3.23Å; T98-S129 PolarHBondContact N-OG 2.91Å; T98-S129 VanDerWaalsContact N-OG 3.08Å; T98-S129 WeakPolarHBondContact OG1-CB 3.48Å; S129-N131 PolarHBondContact O-N 2.65Å; S129-N131 WeakPolarHBondContact OG-CB 2.71Å; S129-N131 PolarHBondContact OG-N 2.84Å; S129-N131 PolarHBondContact OG-OD1 3.21Å; S129-E163 WeakPolarHBondContact CB-OE1 3.36Å; S129-E163 PolarHBondContact N-OE2 3.4Å | ||
| 130 | F | 75.1 | Confident | 85.3 | Confident | 114 Ų | 114 | 33.5 Ų | 33.5 | 50% | 0.5 | 16% | 0.163 | S | C | . | . | trans | -80.8 | -0.4 | 168.9 | -74.6 | -103 | 0 | 0 | 0 | 112.6 | T96 L97 H128 | T96-F130 PolarHBondContact O-N 2.88Å; L97-F130 HydrophobicContact CD2-CB 4.32Å; H128-F130 PolarHBondContact O-N 3.16Å | ||
| 131 | N | 76.9 | Confident | 85.2 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -61.6 | 152.7 | 172.2 | -75.3 | 115.5 | 0 | 0 | 0 | 111 | L97 T98 A99 S129 E135 V136 | L97-N131 VanDerWaalsContact CA-OD1 3.23Å; L97-N131 WeakPolarHBondContact CA-OD1 3.14Å; T98-N131 PolarHBondContact N-OD1 2.92Å; T98-N131 VanDerWaalsContact N-OD1 3.15Å; A99-N131 HydrophobicContact CB-CB 3.88Å; A99-N131 VanDerWaalsContact CB-CG 3.43Å; A99-N131 WeakPolarHBondContact CB-OD1 3.46Å; A99-N131 PolarHBondContact N-OD1 2.83Å; S129-N131 PolarHBondContact O-N 2.65Å; S129-N131 WeakPolarHBondContact OG-CB 2.71Å; S129-N131 PolarHBondContact OG-N 2.84Å; S129-N131 PolarHBondContact OG-OD1 3.21Å; N131-E135 HydrophobicContact CB-CB 4.47Å; N131-E135 PolarHBondContact ND2-OE2 3.31Å; N131-V136 HydrophobicContact CB-CG2 4.29Å |
| 132 | K | 74.9 | Confident | 85.1 | Confident | 101 Ų | 101 | 40.1 Ų | 40.1 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | trans | -67.9 | 145.5 | 172.4 | -57.2 | -168.3 | -157.1 | 81.3 | 0 | 109.2 | S134 E135 V136 | K132-S134 PolarHBondContact O-N 3.46Å; K132-S134 VanDerWaalsContact O-N 3.13Å; K132-E135 HydrophobicContact CB-CG 4.21Å; K132-E135 PolarHBondContact N-OE2 3.03Å; K132-E135 IonicContact NZ-OE1 3.45Å; K132-E135 PolarHBondContact NZ-OE1 3.19Å; K132-E135 WeakPolarHBondContact O-CA 3.45Å; K132-E135 WeakPolarHBondContact O-CB 3.03Å; K132-E135 PolarHBondContact O-N 3.08Å; K132-V136 PolarHBondContact O-N 3.46Å; K132-V136 VanDerWaalsContact O-N 3.09Å | ||
| 133 | W | 83.6 | Confident | 85 | Confident | 77 Ų | 77 | 40.1 Ų | 40.1 | 29% | 0.292 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.2 | -36.9 | 175.7 | -169.5 | -109.4 | 0 | 0 | 0 | 112.9 | E135 V136 L137 Y160 P162 E163 E166 | W133-E135 VanDerWaalsContact C-N 3.29Å; W133-E135 PolarHBondContact O-N 3.41Å; W133-V136 HydrophobicContact CE3-CB 4.18Å; W133-V136 HydrophobicContact CE3-CG1 4.21Å; W133-V136 HydrophobicContact CE3-CG2 4.33Å; W133-V136 HydrophobicContact CH2-CG1 4.3Å; W133-V136 HydrophobicContact CZ3-CB 4.41Å; W133-V136 HydrophobicContact CZ3-CG1 3.94Å; W133-V136 WeakPolarHBondContact O-CB 3.49Å; W133-V136 PolarHBondContact O-N 3.5Å; W133-V136 VanDerWaalsContact O-N 3.12Å; W133-L137 HydrophobicContact CZ2-CD2 4.17Å; W133-L137 WeakPolarHBondContact O-CG 3.49Å; W133-L137 PolarHBondContact O-N 3.19Å; W133-Y160 HydrophobicContact CZ3-CE1 4.11Å; W133-P162 HydrophobicContact CH2-CB 4.14Å; W133-E163 HydrophobicContact CZ3-CB 4.01Å; W133-E166 HydrophobicContact CH2-CB 4.02Å; W133-E166 HydrophobicContact CH2-CG 4.33Å; W133-E166 HydrophobicContact CZ2-CB 4.4Å; W133-E166 HydrophobicContact CZ2-CG 4.31Å |
| 134 | S | 76.2 | Confident | 84.7 | Confident | 75 Ų | 75 | 42.3 Ų | 42.3 | 52% | 0.524 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.4 | -35.4 | 174 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | K132 E138 | K132-S134 PolarHBondContact O-N 3.46Å; K132-S134 VanDerWaalsContact O-N 3.13Å; S134-E138 WeakPolarHBondContact O-CB 3.44Å; S134-E138 PolarHBondContact O-N 2.77Å; S134-E138 VanDerWaalsContact O-N 3.12Å |
| 135 | E | 81 | Confident | 84.6 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.1 | -34.5 | 176.3 | -66 | 163.2 | -162 | 0 | 0 | 110.7 | A99 N131 K132 W133 T139 | A99-E135 HydrophobicContact CB-CB 4.39Å; N131-E135 HydrophobicContact CB-CB 4.47Å; N131-E135 PolarHBondContact ND2-OE2 3.31Å; K132-E135 HydrophobicContact CB-CG 4.21Å; K132-E135 PolarHBondContact N-OE2 3.03Å; K132-E135 IonicContact NZ-OE1 3.45Å; K132-E135 PolarHBondContact NZ-OE1 3.19Å; K132-E135 WeakPolarHBondContact O-CA 3.45Å; K132-E135 WeakPolarHBondContact O-CB 3.03Å; K132-E135 PolarHBondContact O-N 3.08Å; W133-E135 VanDerWaalsContact C-N 3.29Å; W133-E135 PolarHBondContact O-N 3.41Å; E135-T139 WeakPolarHBondContact O-CB 3.38Å; E135-T139 PolarHBondContact O-N 2.76Å; E135-T139 PolarHBondContact O-OG1 2.9Å |
| 136 | V | 82.9 | Confident | 84.6 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -52 | 172.6 | 176.5 | 0 | 0 | 0 | 0 | 110 | N131 K132 W133 T139 A140 E163 E166 Y167 | N131-V136 HydrophobicContact CB-CG2 4.29Å; K132-V136 PolarHBondContact O-N 3.46Å; K132-V136 VanDerWaalsContact O-N 3.09Å; W133-V136 HydrophobicContact CE3-CB 4.18Å; W133-V136 HydrophobicContact CE3-CG1 4.21Å; W133-V136 HydrophobicContact CE3-CG2 4.33Å; W133-V136 HydrophobicContact CH2-CG1 4.3Å; W133-V136 HydrophobicContact CZ3-CB 4.41Å; W133-V136 HydrophobicContact CZ3-CG1 3.94Å; W133-V136 WeakPolarHBondContact O-CB 3.49Å; W133-V136 PolarHBondContact O-N 3.5Å; W133-V136 VanDerWaalsContact O-N 3.12Å; V136-T139 PolarHBondContact O-N 3.37Å; V136-A140 WeakPolarHBondContact O-CB 3.27Å; V136-A140 PolarHBondContact O-N 3.07Å; V136-E163 HydrophobicContact CG1-CG 4.14Å; V136-E166 HydrophobicContact CG1-CB 4.26Å; V136-E166 HydrophobicContact CG1-CG 4.06Å; V136-Y167 HydrophobicContact CG1-CE1 4.4Å; V136-Y167 HydrophobicContact CG1-CE2 4.02Å |
| 137 | L | 81.5 | Confident | 85.1 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 32% | 0.319 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.3 | -53.1 | 178.7 | -65.3 | 175.5 | 0 | 0 | 0 | 112.1 | W133 T139 A140 D141 E166 | W133-L137 HydrophobicContact CZ2-CD2 4.17Å; W133-L137 WeakPolarHBondContact O-CG 3.49Å; W133-L137 PolarHBondContact O-N 3.19Å; L137-T139 PolarHBondContact O-N 2.91Å; L137-A140 PolarHBondContact O-N 2.77Å; L137-D141 PolarHBondContact O-N 3.05Å; L137-E166 VanDerWaalsContact CD2-CD 3.42Å; L137-E166 HydrophobicContact CD2-CG 3.86Å; L137-E166 WeakPolarHBondContact CD2-OE1 3.3Å |
| 138 | E | 89.1 | Confident | 86.4 | Confident | 129 Ų | 129 | 51.9 Ų | 51.9 | 60% | 0.603 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.7 | -37.3 | -179.9 | -176.4 | -175.9 | 173.6 | 0 | 0 | 112.1 | S134 S142 | S134-E138 WeakPolarHBondContact O-CB 3.44Å; S134-E138 PolarHBondContact O-N 2.77Å; S134-E138 VanDerWaalsContact O-N 3.12Å; E138-S142 WeakPolarHBondContact O-CB 3.45Å; E138-S142 PolarHBondContact O-N 3.02Å; E138-S142 VanDerWaalsContact O-N 3.07Å; E138-S142 PolarHBondContact O-OG 3.31Å |
| 139 | T | 93.8 | Very high | 87.2 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.1 | -38.4 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | A99 V102 K103 E135 V136 L137 S142 L143 Y167 | A99-T139 HydrophobicContact CB-CG2 4.43Å; A99-T139 WeakPolarHBondContact O-CG2 3.42Å; V102-T139 HydrophobicContact CB-CG2 3.69Å; V102-T139 HydrophobicContact CG1-CG2 3.54Å; K103-T139 HydrophobicContact CB-CG2 4.35Å; E135-T139 WeakPolarHBondContact O-CB 3.38Å; E135-T139 PolarHBondContact O-N 2.76Å; E135-T139 PolarHBondContact O-OG1 2.9Å; V136-T139 PolarHBondContact O-N 3.37Å; L137-T139 PolarHBondContact O-N 2.91Å; T139-S142 WeakPolarHBondContact O-CB 3.35Å; T139-S142 PolarHBondContact O-N 3.41Å; T139-L143 WeakPolarHBondContact O-CB 3.15Å; T139-L143 PolarHBondContact O-N 3.36Å; T139-Y167 HydrophobicContact CG2-CE1 4.06Å |
| 140 | A | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V136 L137 S142 L143 H144 E166 Y167 | V136-A140 WeakPolarHBondContact O-CB 3.27Å; V136-A140 PolarHBondContact O-N 3.07Å; L137-A140 PolarHBondContact O-N 2.77Å; A140-S142 VanDerWaalsContact C-N 3.31Å; A140-S142 PolarHBondContact O-N 2.92Å; A140-L143 WeakPolarHBondContact O-CB 3.47Å; A140-L143 PolarHBondContact O-N 2.77Å; A140-L143 VanDerWaalsContact O-N 3.09Å; A140-H144 VanDerWaalsContact O-CG 3.28Å; A140-H144 PolarHBondContact O-N 2.67Å; A140-H144 PolarHBondContact O-ND1 3.33Å; A140-E166 HydrophobicContact CB-CG 3.8Å; A140-Y167 HydrophobicContact CB-CD1 3.99Å; A140-Y167 HydrophobicContact CB-CE1 4.32Å |
| 141 | D | 92.7 | Very high | 89.1 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56 | -46.9 | 172.3 | -79.4 | -23.4 | 0 | 0 | 0 | 111.3 | L137 L143 H144 N145 | L137-D141 PolarHBondContact O-N 3.05Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.04Å; D141-H144 PolarHBondContact O-N 3.38Å; D141-N145 VanDerWaalsContact O-CB 3.25Å; D141-N145 WeakPolarHBondContact O-CB 3.49Å; D141-N145 PolarHBondContact O-N 3.03Å; D141-N145 PolarHBondContact O-ND2 3.28Å |
| 142 | S | 96.8 | Very high | 90.1 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | E138 T139 A140 T146 | E138-S142 WeakPolarHBondContact O-CB 3.45Å; E138-S142 PolarHBondContact O-N 3.02Å; E138-S142 VanDerWaalsContact O-N 3.07Å; E138-S142 PolarHBondContact O-OG 3.31Å; T139-S142 WeakPolarHBondContact O-CB 3.35Å; T139-S142 PolarHBondContact O-N 3.41Å; A140-S142 VanDerWaalsContact C-N 3.31Å; A140-S142 PolarHBondContact O-N 2.92Å; S142-T146 WeakPolarHBondContact O-CG2 3.08Å; S142-T146 PolarHBondContact O-N 2.9Å |
| 143 | L | 97 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -48.4 | 175.6 | 173.6 | 60.5 | 0 | 0 | 0 | 111.6 | V102 V106 F121 T139 A140 D141 N145 T146 V150 | V102-L143 HydrophobicContact CG1-CB 4.13Å; V102-L143 HydrophobicContact CG1-CD2 3.96Å; V102-L143 HydrophobicContact CG1-CG 4.48Å; V106-L143 HydrophobicContact CG2-CB 3.91Å; V106-L143 HydrophobicContact CG2-CD1 3.95Å; F121-L143 HydrophobicContact CB-CD1 4.02Å; F121-L143 HydrophobicContact CD1-CD1 4.1Å; F121-L143 HydrophobicContact CD1-CD2 4.23Å; F121-L143 HydrophobicContact CD2-CD1 3.41Å; F121-L143 VanDerWaalsContact CD2-CD1 3.41Å; F121-L143 HydrophobicContact CE1-CD1 4.4Å; F121-L143 HydrophobicContact CE1-CD2 4.32Å; F121-L143 HydrophobicContact CE2-CD1 3.74Å; F121-L143 HydrophobicContact CG-CD1 3.58Å; F121-L143 HydrophobicContact CZ-CD1 4.22Å; T139-L143 WeakPolarHBondContact O-CB 3.15Å; T139-L143 PolarHBondContact O-N 3.36Å; A140-L143 WeakPolarHBondContact O-CB 3.47Å; A140-L143 PolarHBondContact O-N 2.77Å; A140-L143 VanDerWaalsContact O-N 3.09Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.04Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.08Å; L143-T146 WeakPolarHBondContact O-CB 3.2Å; L143-T146 WeakPolarHBondContact O-CG2 3.42Å; L143-T146 PolarHBondContact O-N 3.09Å; L143-T146 VanDerWaalsContact O-N 3.14Å; L143-T146 PolarHBondContact O-OG1 3.37Å; L143-V150 HydrophobicContact CD1-CG2 4.4Å; L143-V150 HydrophobicContact CD2-CG1 4.37Å; L143-V150 HydrophobicContact CD2-CG2 3.95Å; L143-V150 HydrophobicContact CG-CG2 4.09Å |
| 144 | H | 92.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 21% | 0.213 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.8 | -34.3 | -179.5 | -58.5 | 156.5 | 0 | 0 | 0 | 112 | A140 D141 T146 G147 E166 Y167 G169 | A140-H144 VanDerWaalsContact O-CG 3.28Å; A140-H144 PolarHBondContact O-N 2.67Å; A140-H144 PolarHBondContact O-ND1 3.33Å; D141-H144 PolarHBondContact O-N 3.38Å; H144-T146 PolarHBondContact O-N 3.34Å; H144-G147 PolarHBondContact O-N 3.03Å; H144-E166 PolarHBondContact CE1-O 3.08Å; H144-E166 PolarHBondContact NE2-O 2.96Å; H144-Y167 PolarHBondContact NE2-O 3.22Å; H144-G169 WeakPolarHBondContact CE1-CA 3.02Å; H144-G169 WeakPolarHBondContact NE2-CA 3.38Å; H144-G169 PolarHBondContact NE2-N 3.3Å |
| 145 | N | 94 | Very high | 92.3 | Very high | 136 Ų | 136 | 35.3 Ų | 35.3 | 73% | 0.727 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.9 | -17.4 | 175.8 | -74.9 | -34.1 | 0 | 0 | 0 | 113.7 | D141 L143 G147 | D141-N145 VanDerWaalsContact O-CB 3.25Å; D141-N145 WeakPolarHBondContact O-CB 3.49Å; D141-N145 PolarHBondContact O-N 3.03Å; D141-N145 PolarHBondContact O-ND2 3.28Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.08Å; N145-G147 PolarHBondContact O-N 3.3Å |
| 146 | T | 93.5 | Very high | 92.5 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.8 | 170.6 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | V106 I109 S142 L143 H144 A148 | V106-T146 HydrophobicContact CB-CG2 4.4Å; V106-T146 HydrophobicContact CG1-CG2 3.77Å; V106-T146 HydrophobicContact CG2-CG2 4.17Å; I109-T146 HydrophobicContact CG2-CG2 4.32Å; S142-T146 WeakPolarHBondContact O-CG2 3.08Å; S142-T146 PolarHBondContact O-N 2.9Å; L143-T146 WeakPolarHBondContact O-CB 3.2Å; L143-T146 WeakPolarHBondContact O-CG2 3.42Å; L143-T146 PolarHBondContact O-N 3.09Å; L143-T146 VanDerWaalsContact O-N 3.14Å; L143-T146 PolarHBondContact O-OG1 3.37Å; H144-T146 PolarHBondContact O-N 3.34Å; T146-A148 PolarHBondContact O-N 3.25Å; T146-A148 WeakPolarHBondContact OG1-CB 3.42Å; T146-A148 PolarHBondContact OG1-N 3.41Å; T146-A148 VanDerWaalsContact OG1-N 3.09Å |
| 147 | G | 90.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 45% | 0.454 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 1.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H144 N145 | H144-G147 PolarHBondContact O-N 3.03Å; N145-G147 PolarHBondContact O-N 3.3Å |
| 148 | A | 94.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | trans | -63.4 | 144.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I109 K119 F121 T146 | I109-A148 HydrophobicContact CD1-CB 3.94Å; K119-A148 HydrophobicContact CB-CB 3.62Å; K119-A148 CarbonylContact O-C 3.52Å; K119-A148 VanDerWaalsContact O-CA 3.29Å; K119-A148 WeakPolarHBondContact O-CA 3.33Å; F121-A148 HydrophobicContact CB-CB 4.31Å; T146-A148 PolarHBondContact O-N 3.25Å; T146-A148 WeakPolarHBondContact OG1-CB 3.42Å; T146-A148 PolarHBondContact OG1-N 3.41Å; T146-A148 VanDerWaalsContact OG1-N 3.09Å | ||
| 149 | K | 93.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 33.5 Ų | 33.5 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.4 | 165 | -59.7 | -176.8 | -174.1 | 174.4 | 0 | 107.8 | K119 L120 F121 L190 | K119-K149 PolarHBondContact O-N 2.89Å; L120-K149 CarbonylContact C-O 3.47Å; L120-K149 WeakPolarHBondContact CA-O 3.39Å; L120-K149 HydrophobicContact CD1-CB 3.93Å; L120-K149 WeakPolarHBondContact CD1-O 3.29Å; F121-K149 PolarHBondContact N-O 2.62Å; K149-L190 HydrophobicContact CB-CD1 4.32Å; K149-L190 HydrophobicContact CD-CD1 4.18Å; K149-L190 HydrophobicContact CD-CD2 3.58Å; K149-L190 HydrophobicContact CD-CG 4.35Å |
| 150 | V | 96.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.7 | -176.7 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | F121 L143 I152 G172 I173 | F121-V150 HydrophobicContact CB-CG2 4.38Å; F121-V150 CarbonylContact O-C 3.51Å; F121-V150 WeakPolarHBondContact O-CA 3.21Å; L143-V150 HydrophobicContact CD1-CG2 4.4Å; L143-V150 HydrophobicContact CD2-CG1 4.37Å; L143-V150 HydrophobicContact CD2-CG2 3.95Å; L143-V150 HydrophobicContact CG-CG2 4.09Å; V150-I152 HydrophobicContact CG1-CG1 4.07Å; V150-G172 VanDerWaalsContact O-CA 3.29Å; V150-G172 WeakPolarHBondContact O-CA 3.44Å; V150-I173 PolarHBondContact O-N 3.14Å |
| 151 | I | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.2 | 166.4 | -70.2 | 177.9 | 0 | 0 | 0 | 107.7 | L120 F121 V122 L123 I153 I173 F175 V186 F187 L190 | L120-I151 HydrophobicContact CD1-CD1 4.12Å; L120-I151 HydrophobicContact CD1-CG1 4.19Å; F121-I151 PolarHBondContact O-N 3.45Å; V122-I151 CarbonylContact C-O 3.53Å; V122-I151 WeakPolarHBondContact CA-O 3.47Å; V122-I151 HydrophobicContact CG1-CG2 4.44Å; L123-I151 PolarHBondContact N-O 2.92Å; I151-I153 HydrophobicContact CG2-CG1 4.03Å; I151-I173 WeakPolarHBondContact CA-O 3.06Å; I151-F175 HydrophobicContact CG1-CE2 4.5Å; I151-F175 HydrophobicContact CG2-CD2 3.72Å; I151-F175 HydrophobicContact CG2-CE2 3.79Å; I151-V186 HydrophobicContact CD1-CG1 4.28Å; I151-F187 HydrophobicContact CD1-CD2 4.17Å; I151-L190 HydrophobicContact CD1-CD1 3.84Å; I151-L190 HydrophobicContact CG1-CD1 4.18Å |
| 152 | I | 97.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.4 | 171.8 | -56 | -172.7 | 0 | 0 | 0 | 109.1 | L123 V150 A154 L164 I173 I174 F175 | L123-I152 HydrophobicContact CB-CG1 4.24Å; L123-I152 HydrophobicContact CD2-CD1 4.28Å; L123-I152 HydrophobicContact CD2-CG1 4.46Å; L123-I152 CarbonylContact O-C 3.59Å; L123-I152 WeakPolarHBondContact O-CA 3.3Å; V150-I152 HydrophobicContact CG1-CG1 4.07Å; I152-A154 HydrophobicContact CG2-CB 4.35Å; I152-L164 HydrophobicContact CD1-CB 4.29Å; I152-L164 WeakPolarHBondContact CD1-O 3.31Å; I152-L164 HydrophobicContact CG2-CD2 4.05Å; I152-I173 PolarHBondContact N-O 3.24Å; I152-I174 HydrophobicContact CB-CB 4.44Å; I152-I174 HydrophobicContact CB-CG1 4.14Å; I152-I174 HydrophobicContact CB-CG2 4.27Å; I152-I174 HydrophobicContact CD1-CG1 4.24Å; I152-I174 HydrophobicContact CG1-CG1 4.45Å; I152-I174 HydrophobicContact CG2-CG2 4.28Å; I152-F175 PolarHBondContact O-N 3.17Å |
| 153 | I | 97.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 103.7 | 175.6 | -54.9 | 174.9 | 0 | 0 | 0 | 108.7 | I41 L45 V122 L123 I124 T125 I151 L155 V180 V183 | I41-I153 HydrophobicContact CG2-CD1 3.92Å; L45-I153 HydrophobicContact CD1-CD1 3.81Å; V122-I153 HydrophobicContact CG1-CD1 4.03Å; L123-I153 PolarHBondContact O-N 3.43Å; I124-I153 WeakPolarHBondContact CA-O 3.37Å; I124-I153 HydrophobicContact CD1-CD1 4.34Å; I124-I153 HydrophobicContact CG1-CB 4.2Å; I124-I153 HydrophobicContact CG1-CD1 4.32Å; T125-I153 PolarHBondContact N-O 3.1Å; I151-I153 HydrophobicContact CG2-CG1 4.03Å; I153-L155 HydrophobicContact CG2-CD1 4.08Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; I153-L155 HydrophobicContact CG2-CG 3.9Å; I153-V180 HydrophobicContact CG2-CG2 4.48Å; I153-V183 HydrophobicContact CD1-CG2 3.92Å; I153-V183 HydrophobicContact CG1-CG2 4.25Å |
| 154 | A | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 90.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T125 I152 L159 L164 F175 T176 | T125-A154 WeakPolarHBondContact O-CA 3.37Å; T125-A154 WeakPolarHBondContact O-CB 3.07Å; I152-A154 HydrophobicContact CG2-CB 4.35Å; A154-L159 HydrophobicContact CB-CD1 4.06Å; A154-L159 HydrophobicContact CB-CD2 3.81Å; A154-L164 HydrophobicContact CB-CD1 3.67Å; A154-F175 PolarHBondContact N-O 2.62Å; A154-T176 VanDerWaalsContact O-CA 3.29Å; A154-T176 WeakPolarHBondContact O-CA 3.27Å |
| 155 | L | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -103.6 | 0.5 | -169.7 | -57.5 | -176.9 | 0 | 0 | 0 | 114.9 | V34 Q37 Q38 I41 I153 K177 V180 | V34-L155 HydrophobicContact CB-CB 4.44Å; Q37-L155 HydrophobicContact CG-CD1 4.21Å; Q38-L155 HydrophobicContact CG-CB 4.32Å; Q38-L155 HydrophobicContact CG-CD1 4Å; Q38-L155 HydrophobicContact CG-CG 4.34Å; I41-L155 HydrophobicContact CD1-CD1 3.25Å; I153-L155 HydrophobicContact CG2-CD1 4.08Å; I153-L155 HydrophobicContact CG2-CD2 4.21Å; I153-L155 HydrophobicContact CG2-CG 3.9Å; L155-K177 WeakPolarHBondContact O-CE 3.44Å; L155-K177 WeakPolarHBondContact O-CG 3.3Å; L155-V180 HydrophobicContact CD1-CG2 4.33Å; L155-V180 HydrophobicContact CD2-CB 3.83Å; L155-V180 HydrophobicContact CD2-CG1 4.18Å; L155-V180 HydrophobicContact CD2-CG2 3.82Å | ||
| 156 | A | 83.9 | Confident | 88 | Confident | 10 Ų | 10 | 31.1 Ų | 31.1 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -70.7 | 161.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V34 D126 S158 L159 | V34-A156 HydrophobicContact CG2-CB 4.42Å; D126-A156 HydrophobicContact CB-CB 3.35Å; A156-S158 VanDerWaalsContact C-N 3.33Å; A156-L159 HydrophobicContact CB-CD2 4.18Å; A156-L159 WeakPolarHBondContact O-CD2 3.16Å |
| 157 | D | 79.4 | Confident | 87.9 | Confident | 125 Ų | 125 | 30.1 Ų | 30.1 | 67% | 0.668 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -70.7 | -30.9 | 175.2 | -72.1 | -59.6 | 0 | 0 | 0 | 112.8 | K177 | D157-K177 WeakPolarHBondContact OD1-CE 3.49Å; D157-K177 IonicContact OD1-NZ 3.29Å; D157-K177 PolarHBondContact OD1-NZ 3.12Å; D157-K177 IonicContact OD2-NZ 2.63Å; D157-K177 PolarHBondContact OD2-NZ 3.04Å |
| 158 | S | 79.4 | Confident | 87.6 | Confident | 49 Ų | 49 | 28.2 Ų | 28.2 | 34% | 0.343 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -109.3 | 97 | -178.6 | 175 | 0 | 0 | 0 | 0 | 109.9 | H128 A156 | H128-S158 PolarHBondContact CD2-O 3.12Å; H128-S158 PolarHBondContact NE2-O 2.76Å; H128-S158 PolarHBondContact NE2-OG 3.05Å; A156-S158 VanDerWaalsContact C-N 3.33Å |
| 159 | L | 80.6 | Confident | 87.1 | Confident | 23 Ų | 23 | 29 Ų | 29 | 12% | 0.12 | 16% | 0.16 | C | C | . | . | trans | -99 | 138.8 | -179.7 | -56.3 | -177.1 | 0 | 0 | 0 | 112.1 | D126 A154 A156 M161 L164 T176 F365 | D126-L159 HydrophobicContact CB-CD2 3.96Å; D126-L159 WeakPolarHBondContact O-CA 3.01Å; A154-L159 HydrophobicContact CB-CD1 4.06Å; A154-L159 HydrophobicContact CB-CD2 3.81Å; A156-L159 HydrophobicContact CB-CD2 4.18Å; A156-L159 WeakPolarHBondContact O-CD2 3.16Å; L159-M161 HydrophobicContact CB-SD 4.3Å; L159-M161 HydrophobicContact CD1-SD 4.33Å; L159-M161 PolarHBondContact O-N 2.99Å; L159-L164 HydrophobicContact CB-CD1 4.36Å; L159-T176 HydrophobicContact CD1-CG2 3.59Å; L159-F365 VanDerWaalsContact O-CE1 3.27Å; L159-F365 WeakPolarHBondContact O-CE1 3.4Å; L159-F365 VanDerWaalsContact O-CZ 3.3Å; L159-F365 WeakPolarHBondContact O-CZ 3.36Å | ||
| 160 | Y | 80.5 | Confident | 86.4 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 8% | 0.078 | 18% | 0.177 | C | C | . | . | trans | -95.5 | 79.8 | 168.8 | -169.8 | -128 | 0 | 0 | 0 | 111.2 | D126 H128 W133 P162 E163 L164 | D126-Y160 PolarHBondContact O-N 2.85Å; D126-Y160 VanDerWaalsContact O-N 3.1Å; H128-Y160 PolarHBondContact NE2-N 3.08Å; W133-Y160 HydrophobicContact CZ3-CE1 4.11Å; Y160-P162 VanDerWaalsContact C-CD 3.4Å; Y160-P162 HydrophobicContact CD2-CG 4.24Å; Y160-P162 HydrophobicContact CE1-CB 4.24Å; Y160-P162 HydrophobicContact CE2-CB 4.22Å; Y160-P162 HydrophobicContact CE2-CG 3.74Å; Y160-E163 HydrophobicContact CD1-CB 3.43Å; Y160-E163 VanDerWaalsContact CD1-CB 3.43Å; Y160-E163 HydrophobicContact CE1-CB 3.85Å; Y160-E163 HydrophobicContact CG-CB 4.44Å; Y160-E163 PolarHBondContact O-N 3.42Å; Y160-L164 WeakPolarHBondContact O-CG 3.32Å; Y160-L164 PolarHBondContact O-N 2.84Å | ||
| 161 | M | 81.1 | Confident | 85.7 | Confident | 61 Ų | 61 | 38.5 Ų | 38.5 | 30% | 0.3 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54.9 | -37 | -174.5 | -69.2 | -60.1 | -62.6 | 0 | 0 | 115.8 | L159 E163 L164 I165 I174 | L159-M161 HydrophobicContact CB-SD 4.3Å; L159-M161 HydrophobicContact CD1-SD 4.33Å; L159-M161 PolarHBondContact O-N 2.99Å; M161-E163 VanDerWaalsContact C-N 3.35Å; M161-E163 PolarHBondContact O-N 3.29Å; M161-L164 PolarHBondContact O-N 2.64Å; M161-L164 HydrophobicContact SD-CD1 3.99Å; M161-I165 HydrophobicContact CB-CD1 4.32Å; M161-I165 HydrophobicContact CE-CD1 4.37Å; M161-I165 HydrophobicContact CE-CG1 4.3Å; M161-I165 WeakPolarHBondContact O-CB 3.38Å; M161-I165 VanDerWaalsContact O-CG1 3.23Å; M161-I165 WeakPolarHBondContact O-CG1 3.14Å; M161-I165 PolarHBondContact O-N 2.82Å; M161-I174 HydrophobicContact CE-CD1 4.11Å |
| 162 | P | 79.6 | Confident | 85.1 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.3 | -48.6 | 177 | -28.3 | 36.7 | 0 | 0 | 0 | 113 | W133 Y160 I165 E166 | W133-P162 HydrophobicContact CH2-CB 4.14Å; Y160-P162 VanDerWaalsContact C-CD 3.4Å; Y160-P162 HydrophobicContact CD2-CG 4.24Å; Y160-P162 HydrophobicContact CE1-CB 4.24Å; Y160-P162 HydrophobicContact CE2-CB 4.22Å; Y160-P162 HydrophobicContact CE2-CG 3.74Å; P162-I165 PolarHBondContact O-N 3.17Å; P162-E166 WeakPolarHBondContact O-CB 3.41Å; P162-E166 PolarHBondContact O-N 3.47Å |
| 163 | E | 80.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.3 | -178.4 | -175.2 | 162.6 | 0 | 0 | 112.1 | T98 H128 S129 W133 V136 Y160 M161 E166 Y167 | T98-E163 VanDerWaalsContact CB-OE1 3.29Å; T98-E163 WeakPolarHBondContact CB-OE1 3.41Å; T98-E163 PolarHBondContact OG1-OE1 3.09Å; H128-E163 PolarHBondContact N-OE2 3.14Å; S129-E163 WeakPolarHBondContact CB-OE1 3.36Å; S129-E163 PolarHBondContact N-OE2 3.4Å; W133-E163 HydrophobicContact CZ3-CB 4.01Å; V136-E163 HydrophobicContact CG1-CG 4.14Å; Y160-E163 HydrophobicContact CD1-CB 3.43Å; Y160-E163 VanDerWaalsContact CD1-CB 3.43Å; Y160-E163 HydrophobicContact CE1-CB 3.85Å; Y160-E163 HydrophobicContact CG-CB 4.44Å; Y160-E163 PolarHBondContact O-N 3.42Å; M161-E163 VanDerWaalsContact C-N 3.35Å; M161-E163 PolarHBondContact O-N 3.29Å; E163-E166 WeakPolarHBondContact O-CB 3.48Å; E163-E166 PolarHBondContact O-N 3.3Å; E163-Y167 HydrophobicContact CG-CD2 3.92Å; E163-Y167 HydrophobicContact CG-CE2 3.6Å; E163-Y167 WeakPolarHBondContact O-CD2 3.4Å; E163-Y167 PolarHBondContact O-N 2.82Å |
| 164 | L | 85.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 179.1 | -56 | -178 | 0 | 0 | 0 | 111.8 | T125 I152 A154 L159 Y160 M161 E166 Y167 G168 I174 | T125-L164 HydrophobicContact CG2-CD2 3.61Å; I152-L164 HydrophobicContact CD1-CB 4.29Å; I152-L164 WeakPolarHBondContact CD1-O 3.31Å; I152-L164 HydrophobicContact CG2-CD2 4.05Å; A154-L164 HydrophobicContact CB-CD1 3.67Å; L159-L164 HydrophobicContact CB-CD1 4.36Å; Y160-L164 WeakPolarHBondContact O-CG 3.32Å; Y160-L164 PolarHBondContact O-N 2.84Å; M161-L164 PolarHBondContact O-N 2.64Å; M161-L164 HydrophobicContact SD-CD1 3.99Å; L164-E166 VanDerWaalsContact C-N 3.28Å; L164-E166 PolarHBondContact O-N 2.85Å; L164-Y167 PolarHBondContact O-N 3.36Å; L164-G168 PolarHBondContact O-N 3.43Å; L164-I174 HydrophobicContact CB-CD1 3.96Å |
| 165 | I | 83.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.9 | -70.8 | 165.8 | 0 | 0 | 0 | 110 | M161 P162 G168 G169 I174 | M161-I165 HydrophobicContact CB-CD1 4.32Å; M161-I165 HydrophobicContact CE-CD1 4.37Å; M161-I165 HydrophobicContact CE-CG1 4.3Å; M161-I165 WeakPolarHBondContact O-CB 3.38Å; M161-I165 VanDerWaalsContact O-CG1 3.23Å; M161-I165 WeakPolarHBondContact O-CG1 3.14Å; M161-I165 PolarHBondContact O-N 2.82Å; P162-I165 PolarHBondContact O-N 3.17Å; I165-G168 PolarHBondContact O-N 3.43Å; I165-G169 PolarHBondContact O-N 3.46Å; I165-I174 HydrophobicContact CG1-CD1 4.03Å |
| 166 | E | 86.3 | Confident | 84.3 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60 | -52.2 | 177.6 | -163.1 | 58.4 | -137.5 | 0 | 0 | 111.3 | W133 V136 L137 A140 H144 P162 E163 L164 G168 G169 | W133-E166 HydrophobicContact CH2-CB 4.02Å; W133-E166 HydrophobicContact CH2-CG 4.33Å; W133-E166 HydrophobicContact CZ2-CB 4.4Å; W133-E166 HydrophobicContact CZ2-CG 4.31Å; V136-E166 HydrophobicContact CG1-CB 4.26Å; V136-E166 HydrophobicContact CG1-CG 4.06Å; L137-E166 VanDerWaalsContact CD2-CD 3.42Å; L137-E166 HydrophobicContact CD2-CG 3.86Å; L137-E166 WeakPolarHBondContact CD2-OE1 3.3Å; A140-E166 HydrophobicContact CB-CG 3.8Å; H144-E166 PolarHBondContact CE1-O 3.08Å; H144-E166 PolarHBondContact NE2-O 2.96Å; P162-E166 WeakPolarHBondContact O-CB 3.41Å; P162-E166 PolarHBondContact O-N 3.47Å; E163-E166 WeakPolarHBondContact O-CB 3.48Å; E163-E166 PolarHBondContact O-N 3.3Å; L164-E166 VanDerWaalsContact C-N 3.28Å; L164-E166 PolarHBondContact O-N 2.85Å; E166-G168 PolarHBondContact O-N 3.01Å; E166-G169 PolarHBondContact O-N 3.29Å |
| 167 | Y | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 177.1 | -73.2 | -55.3 | 0 | 0 | 0 | 113.5 | T98 A99 V102 L123 V136 T139 A140 H144 E163 L164 G169 | T98-Y167 HydrophobicContact CG2-CD2 4.11Å; T98-Y167 HydrophobicContact CG2-CE2 3.47Å; T98-Y167 VanDerWaalsContact CG2-CE2 3.47Å; A99-Y167 WeakPolarHBondContact CA-OH 3.39Å; A99-Y167 VanDerWaalsContact CB-OH 3.3Å; A99-Y167 WeakPolarHBondContact CB-OH 3.49Å; A99-Y167 PolarHBondContact N-OH 2.89Å; V102-Y167 HydrophobicContact CB-CE1 4.14Å; V102-Y167 HydrophobicContact CG1-CD1 4.15Å; V102-Y167 HydrophobicContact CG1-CE1 4.06Å; V102-Y167 HydrophobicContact CG2-CD1 4.14Å; V102-Y167 HydrophobicContact CG2-CE1 3.95Å; L123-Y167 HydrophobicContact CD2-CD2 3.97Å; L123-Y167 HydrophobicContact CD2-CG 4.08Å; V136-Y167 HydrophobicContact CG1-CE1 4.4Å; V136-Y167 HydrophobicContact CG1-CE2 4.02Å; T139-Y167 HydrophobicContact CG2-CE1 4.06Å; A140-Y167 HydrophobicContact CB-CD1 3.99Å; A140-Y167 HydrophobicContact CB-CE1 4.32Å; H144-Y167 PolarHBondContact NE2-O 3.22Å; E163-Y167 HydrophobicContact CG-CD2 3.92Å; E163-Y167 HydrophobicContact CG-CE2 3.6Å; E163-Y167 WeakPolarHBondContact O-CD2 3.4Å; E163-Y167 PolarHBondContact O-N 2.82Å; L164-Y167 PolarHBondContact O-N 3.36Å; Y167-G169 VanDerWaalsContact C-N 3.31Å; Y167-G169 PolarHBondContact O-N 3.07Å |
| 168 | G | 85 | Confident | 84.8 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L164 I165 E166 G172 | L164-G168 PolarHBondContact O-N 3.43Å; I165-G168 PolarHBondContact O-N 3.43Å; E166-G168 PolarHBondContact O-N 3.01Å; G168-G172 WeakPolarHBondContact O-CA 3.01Å; G168-G172 PolarHBondContact O-N 3.07Å |
| 169 | G | 83.6 | Confident | 85.1 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | trans | 61.6 | -172.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | H144 I165 E166 Y167 R171 G172 | H144-G169 WeakPolarHBondContact CE1-CA 3.02Å; H144-G169 WeakPolarHBondContact NE2-CA 3.38Å; H144-G169 PolarHBondContact NE2-N 3.3Å; I165-G169 PolarHBondContact O-N 3.46Å; E166-G169 PolarHBondContact O-N 3.29Å; Y167-G169 VanDerWaalsContact C-N 3.31Å; Y167-G169 PolarHBondContact O-N 3.07Å; G169-R171 PolarHBondContact O-N 3.17Å; G169-R171 VanDerWaalsContact O-N 3.08Å; G169-G172 PolarHBondContact O-N 3.48Å | ||
| 170 | P | 78.6 | Confident | 85.7 | Confident | 112 Ų | 112 | 52 Ų | 52 | 73% | 0.727 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.3 | -172.7 | -23.6 | 33.5 | 0 | 0 | 0 | 115.2 | ||
| 171 | R | 82 | Confident | 86.3 | Confident | 178 Ų | 178 | 55.7 Ų | 55.7 | 67% | 0.672 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 1.4 | -176.9 | -59.6 | -175.6 | -62 | 157 | 5.7 | 113 | G169 | G169-R171 PolarHBondContact O-N 3.17Å; G169-R171 VanDerWaalsContact O-N 3.08Å |
| 172 | G | 84.4 | Confident | 86.8 | Confident | 22 Ų | 22 | 58 Ų | 58 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | trans | -78.1 | 153.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V150 G168 G169 | V150-G172 VanDerWaalsContact O-CA 3.29Å; V150-G172 WeakPolarHBondContact O-CA 3.44Å; G168-G172 WeakPolarHBondContact O-CA 3.01Å; G168-G172 PolarHBondContact O-N 3.07Å; G169-G172 PolarHBondContact O-N 3.48Å | ||
| 173 | I | 89.9 | Confident | 87.6 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.6 | 176.9 | -55.4 | 172.1 | 0 | 0 | 0 | 108.6 | V150 I151 I152 F175 V186 | V150-I173 PolarHBondContact O-N 3.14Å; I151-I173 WeakPolarHBondContact CA-O 3.06Å; I152-I173 PolarHBondContact N-O 3.24Å; I173-F175 HydrophobicContact CB-CE2 4.22Å; I173-F175 HydrophobicContact CG2-CD2 4.23Å; I173-F175 HydrophobicContact CG2-CE1 4.16Å; I173-F175 HydrophobicContact CG2-CE2 3.57Å; I173-F175 HydrophobicContact CG2-CZ 3.53Å; I173-V186 HydrophobicContact CD1-CG1 3.6Å |
| 174 | I | 90.8 | Very high | 88.2 | Confident | 34 Ų | 34 | 57 Ų | 57 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.3 | 179.4 | -52.9 | 176.5 | 0 | 0 | 0 | 109.3 | I152 M161 L164 I165 T176 N179 | I152-I174 HydrophobicContact CB-CB 4.44Å; I152-I174 HydrophobicContact CB-CG1 4.14Å; I152-I174 HydrophobicContact CB-CG2 4.27Å; I152-I174 HydrophobicContact CD1-CG1 4.24Å; I152-I174 HydrophobicContact CG1-CG1 4.45Å; I152-I174 HydrophobicContact CG2-CG2 4.28Å; M161-I174 HydrophobicContact CE-CD1 4.11Å; L164-I174 HydrophobicContact CB-CD1 3.96Å; I165-I174 HydrophobicContact CG1-CD1 4.03Å; I174-T176 HydrophobicContact CG2-CG2 4.32Å; I174-N179 PolarHBondContact O-ND2 3.48Å |
| 175 | F | 93.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.9 | 172.5 | -63.9 | -78.8 | 0 | 0 | 0 | 110.7 | I151 I152 A154 I173 N179 Q182 V183 V186 | I151-F175 HydrophobicContact CG1-CE2 4.5Å; I151-F175 HydrophobicContact CG2-CD2 3.72Å; I151-F175 HydrophobicContact CG2-CE2 3.79Å; I152-F175 PolarHBondContact O-N 3.17Å; A154-F175 PolarHBondContact N-O 2.62Å; I173-F175 HydrophobicContact CB-CE2 4.22Å; I173-F175 HydrophobicContact CG2-CD2 4.23Å; I173-F175 HydrophobicContact CG2-CE1 4.16Å; I173-F175 HydrophobicContact CG2-CE2 3.57Å; I173-F175 HydrophobicContact CG2-CZ 3.53Å; F175-N179 WeakPolarHBondContact CA-OD1 3.35Å; F175-N179 WeakPolarHBondContact CD1-O 3.41Å; F175-Q182 HydrophobicContact CE1-CB 4.06Å; F175-V183 HydrophobicContact CD1-CB 4.2Å; F175-V183 HydrophobicContact CD2-CB 4.16Å; F175-V183 HydrophobicContact CD2-CG2 3.71Å; F175-V183 HydrophobicContact CE1-CB 4.33Å; F175-V183 HydrophobicContact CE2-CB 4.29Å; F175-V183 HydrophobicContact CE2-CG2 3.84Å; F175-V183 HydrophobicContact CG-CB 4.11Å; F175-V183 HydrophobicContact CG-CG2 4.12Å; F175-V183 HydrophobicContact CZ-CB 4.37Å; F175-V183 HydrophobicContact CZ-CG2 4.37Å; F175-V186 HydrophobicContact CE1-CG2 4.43Å; F175-V186 HydrophobicContact CE2-CB 4.49Å; F175-V186 HydrophobicContact CE2-CG1 4.41Å; F175-V186 HydrophobicContact CZ-CB 3.8Å; F175-V186 HydrophobicContact CZ-CG1 4.04Å; F175-V186 HydrophobicContact CZ-CG2 3.81Å |
| 176 | T | 90.2 | Very high | 89 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -179.4 | 173.1 | 72.4 | 0 | 0 | 0 | 0 | 110.6 | A154 L159 I174 Q178 N179 V180 | A154-T176 VanDerWaalsContact O-CA 3.29Å; A154-T176 WeakPolarHBondContact O-CA 3.27Å; L159-T176 HydrophobicContact CD1-CG2 3.59Å; I174-T176 HydrophobicContact CG2-CG2 4.32Å; T176-Q178 PolarHBondContact O-N 2.91Å; T176-Q178 PolarHBondContact OG1-N 2.95Å; T176-N179 PolarHBondContact N-OD1 2.75Å; T176-N179 PolarHBondContact O-N 2.99Å; T176-N179 VanDerWaalsContact O-N 3.14Å; T176-N179 PolarHBondContact O-OD1 2.66Å; T176-V180 VanDerWaalsContact O-CB 3.31Å; T176-V180 WeakPolarHBondContact O-CB 2.84Å; T176-V180 PolarHBondContact O-N 2.95Å |
| 177 | K | 88.3 | Confident | 89.4 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -28.3 | 173.4 | -66.7 | -169.7 | -177.2 | -175 | 0 | 113.3 | L155 D157 | L155-K177 WeakPolarHBondContact O-CE 3.44Å; L155-K177 WeakPolarHBondContact O-CG 3.3Å; D157-K177 WeakPolarHBondContact OD1-CE 3.49Å; D157-K177 IonicContact OD1-NZ 3.29Å; D157-K177 PolarHBondContact OD1-NZ 3.12Å; D157-K177 IonicContact OD2-NZ 2.63Å; D157-K177 PolarHBondContact OD2-NZ 3.04Å |
| 178 | Q | 85.2 | Confident | 89.3 | Confident | 181 Ų | 181 | 58.1 Ų | 58.1 | 85% | 0.846 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -34 | -176.2 | -63.9 | -178.7 | -11.5 | 0 | 0 | 114.2 | T176 | T176-Q178 PolarHBondContact O-N 2.91Å; T176-Q178 PolarHBondContact OG1-N 2.95Å |
| 179 | N | 86.3 | Confident | 89.5 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 3.3 | -171.4 | 65.2 | -1.1 | 0 | 0 | 0 | 113.3 | I174 F175 T176 S181 Q182 | I174-N179 PolarHBondContact O-ND2 3.48Å; F175-N179 WeakPolarHBondContact CA-OD1 3.35Å; F175-N179 WeakPolarHBondContact CD1-O 3.41Å; T176-N179 PolarHBondContact N-OD1 2.75Å; T176-N179 PolarHBondContact O-N 2.99Å; T176-N179 VanDerWaalsContact O-N 3.14Å; T176-N179 PolarHBondContact O-OD1 2.66Å; N179-S181 PolarHBondContact O-N 3.12Å; N179-Q182 WeakPolarHBondContact O-CB 3.46Å; N179-Q182 PolarHBondContact O-N 3.25Å |
| 180 | V | 93.4 | Very high | 89.8 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -55.7 | -24.4 | 179.1 | 68.1 | 0 | 0 | 0 | 0 | 113.6 | I41 I153 L155 T176 Q182 V183 | I41-V180 HydrophobicContact CD1-CG2 3.75Å; I153-V180 HydrophobicContact CG2-CG2 4.48Å; L155-V180 HydrophobicContact CD1-CG2 4.33Å; L155-V180 HydrophobicContact CD2-CB 3.83Å; L155-V180 HydrophobicContact CD2-CG1 4.18Å; L155-V180 HydrophobicContact CD2-CG2 3.82Å; T176-V180 VanDerWaalsContact O-CB 3.31Å; T176-V180 WeakPolarHBondContact O-CB 2.84Å; T176-V180 PolarHBondContact O-N 2.95Å; V180-Q182 PolarHBondContact O-N 3.33Å; V180-Q182 VanDerWaalsContact O-N 3.11Å; V180-V183 HydrophobicContact CG2-CG1 4.27Å; V180-V183 WeakPolarHBondContact O-CB 3.42Å; V180-V183 WeakPolarHBondContact O-CG1 3.47Å; V180-V183 PolarHBondContact O-N 2.69Å; V180-V183 VanDerWaalsContact O-N 3.08Å |
| 181 | S | 91.8 | Very high | 90.3 | Very high | 97 Ų | 97 | 58.6 Ų | 58.6 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -61.4 | -17.7 | 174 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | N179 | N179-S181 PolarHBondContact O-N 3.12Š|
| 182 | Q | 93.1 | Very high | 90.3 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -92.7 | -7.2 | 179.3 | -56.2 | 175.4 | 17.8 | 0 | 0 | 112.8 | F175 N179 V180 D184 S185 V186 | F175-Q182 HydrophobicContact CE1-CB 4.06Å; N179-Q182 WeakPolarHBondContact O-CB 3.46Å; N179-Q182 PolarHBondContact O-N 3.25Å; V180-Q182 PolarHBondContact O-N 3.33Å; V180-Q182 VanDerWaalsContact O-N 3.11Å; Q182-D184 VanDerWaalsContact C-N 3.27Å; Q182-D184 PolarHBondContact O-N 2.88Å; Q182-S185 PolarHBondContact O-N 3.34Å; Q182-S185 PolarHBondContact O-OG 2.99Å; Q182-V186 PolarHBondContact O-N 3.32Å |
| 183 | V | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -37.2 | -174.6 | 74.4 | 0 | 0 | 0 | 0 | 111.8 | I41 L45 I153 F175 V180 V186 F187 | I41-V183 HydrophobicContact CG2-CG1 4.21Å; L45-V183 HydrophobicContact CD1-CG2 4.2Å; L45-V183 HydrophobicContact CD2-CG1 4.25Å; L45-V183 HydrophobicContact CD2-CG2 4.36Å; I153-V183 HydrophobicContact CD1-CG2 3.92Å; I153-V183 HydrophobicContact CG1-CG2 4.25Å; F175-V183 HydrophobicContact CD1-CB 4.2Å; F175-V183 HydrophobicContact CD2-CB 4.16Å; F175-V183 HydrophobicContact CD2-CG2 3.71Å; F175-V183 HydrophobicContact CE1-CB 4.33Å; F175-V183 HydrophobicContact CE2-CB 4.29Å; F175-V183 HydrophobicContact CE2-CG2 3.84Å; F175-V183 HydrophobicContact CG-CB 4.11Å; F175-V183 HydrophobicContact CG-CG2 4.12Å; F175-V183 HydrophobicContact CZ-CB 4.37Å; F175-V183 HydrophobicContact CZ-CG2 4.37Å; V180-V183 HydrophobicContact CG2-CG1 4.27Å; V180-V183 WeakPolarHBondContact O-CB 3.42Å; V180-V183 WeakPolarHBondContact O-CG1 3.47Å; V180-V183 PolarHBondContact O-N 2.69Å; V180-V183 VanDerWaalsContact O-N 3.08Å; V183-V186 PolarHBondContact O-N 3.08Å; V183-F187 WeakPolarHBondContact O-CB 3.23Å; V183-F187 PolarHBondContact O-N 2.74Å |
| 184 | D | 95 | Very high | 87.4 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 177.9 | -63.8 | -103 | 0 | 0 | 0 | 111.9 | R44 H48 Q182 V186 F187 I188 | R44-D184 IonicContact CZ-OD1 2.74Å; R44-D184 IonicContact CZ-OD2 2.65Å; R44-D184 VanDerWaalsContact CZ-OD2 3.29Å; R44-D184 IonicContact NE-OD1 2.68Å; R44-D184 IonicContact NH1-OD1 2.66Å; R44-D184 PolarHBondContact NH1-OD1 3.01Å; R44-D184 IonicContact NH1-OD2 3.93Å; R44-D184 PolarHBondContact NH1-OD2 3.24Å; R44-D184 IonicContact NH2-OD2 2.88Å; H48-D184 IonicContact CD2-OD1 3.36Å; H48-D184 IonicContact CE1-OD1 2.69Å; H48-D184 IonicContact NE2-OD1 2.69Å; H48-D184 PolarHBondContact NE2-OD1 3.41Å; Q182-D184 VanDerWaalsContact C-N 3.27Å; Q182-D184 PolarHBondContact O-N 2.88Å; D184-V186 VanDerWaalsContact C-N 3.32Å; D184-V186 PolarHBondContact O-N 3.48Å; D184-F187 PolarHBondContact O-N 3.19Å; D184-I188 VanDerWaalsContact O-CB 3.27Å; D184-I188 WeakPolarHBondContact O-CB 3.34Å; D184-I188 WeakPolarHBondContact O-CD1 3.09Å; D184-I188 WeakPolarHBondContact O-CG1 2.97Å; D184-I188 PolarHBondContact O-N 2.75Å |
| 185 | S | 92.5 | Very high | 85.3 | Confident | 75 Ų | 75 | 55 Ų | 55 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | -177.9 | 37.9 | 0 | 0 | 0 | 0 | 111.8 | Q182 D189 | Q182-S185 PolarHBondContact O-N 3.34Å; Q182-S185 PolarHBondContact O-OG 2.99Å; S185-D189 WeakPolarHBondContact O-CB 3.39Å; S185-D189 PolarHBondContact O-N 3.49Å |
| 186 | V | 91.8 | Very high | 83 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.2 | -45 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | I151 I173 F175 Q182 V183 D184 I188 D189 L190 | I151-V186 HydrophobicContact CD1-CG1 4.28Å; I173-V186 HydrophobicContact CD1-CG1 3.6Å; F175-V186 HydrophobicContact CE1-CG2 4.43Å; F175-V186 HydrophobicContact CE2-CB 4.49Å; F175-V186 HydrophobicContact CE2-CG1 4.41Å; F175-V186 HydrophobicContact CZ-CB 3.8Å; F175-V186 HydrophobicContact CZ-CG1 4.04Å; F175-V186 HydrophobicContact CZ-CG2 3.81Å; Q182-V186 PolarHBondContact O-N 3.32Å; V183-V186 PolarHBondContact O-N 3.08Å; D184-V186 VanDerWaalsContact C-N 3.32Å; D184-V186 PolarHBondContact O-N 3.48Å; V186-I188 VanDerWaalsContact C-N 3.34Å; V186-I188 PolarHBondContact O-N 3.41Å; V186-D189 PolarHBondContact O-N 3.39Å; V186-L190 HydrophobicContact CG1-CD1 4.22Å; V186-L190 HydrophobicContact CG1-CG 4.31Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 VanDerWaalsContact O-CG 3.29Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 3.11Å |
| 187 | F | 94.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 178.2 | -172.3 | -90.2 | 0 | 0 | 0 | 111.6 | V21 F23 L45 L49 L120 V122 I151 V183 D184 L190 T191 | V21-F187 HydrophobicContact CG1-CE2 4.15Å; V21-F187 HydrophobicContact CG1-CZ 4.25Å; V21-F187 HydrophobicContact CG2-CZ 4.48Å; F23-F187 HydrophobicContact CZ-CE2 4.17Å; F23-F187 HydrophobicContact CZ-CZ 4.15Å; L45-F187 HydrophobicContact CB-CD1 4.11Å; L45-F187 HydrophobicContact CB-CD2 4.36Å; L45-F187 HydrophobicContact CB-CE1 3.97Å; L45-F187 HydrophobicContact CB-CE2 4.24Å; L45-F187 HydrophobicContact CB-CG 4.3Å; L45-F187 HydrophobicContact CB-CZ 4.04Å; L45-F187 HydrophobicContact CD1-CD2 3.94Å; L45-F187 HydrophobicContact CD1-CE2 4.25Å; L45-F187 HydrophobicContact CD1-CG 4.29Å; L45-F187 HydrophobicContact CD2-CB 3.67Å; L45-F187 HydrophobicContact CD2-CD1 3.94Å; L45-F187 HydrophobicContact CD2-CD2 4.19Å; L45-F187 HydrophobicContact CD2-CG 3.67Å; L45-F187 HydrophobicContact CG-CD2 4.38Å; L45-F187 HydrophobicContact CG-CG 4.29Å; L45-F187 VanDerWaalsContact O-CE1 3.23Å; L45-F187 WeakPolarHBondContact O-CE1 3.25Å; L49-F187 HydrophobicContact CD1-CE1 4.43Å; L49-F187 HydrophobicContact CD1-CZ 4.14Å; L49-F187 HydrophobicContact CD2-CE1 3.6Å; L49-F187 HydrophobicContact CD2-CZ 3.83Å; L49-F187 HydrophobicContact CG-CE1 3.86Å; L49-F187 HydrophobicContact CG-CZ 4.06Å; L120-F187 HydrophobicContact CD2-CD2 3.77Å; L120-F187 HydrophobicContact CD2-CE2 3.48Å; L120-F187 VanDerWaalsContact CD2-CE2 3.48Å; L120-F187 HydrophobicContact CD2-CZ 4.22Å; V122-F187 HydrophobicContact CG2-CD2 4.44Å; V122-F187 HydrophobicContact CG2-CE2 3.92Å; I151-F187 HydrophobicContact CD1-CD2 4.17Å; V183-F187 WeakPolarHBondContact O-CB 3.23Å; V183-F187 PolarHBondContact O-N 2.74Å; D184-F187 PolarHBondContact O-N 3.19Å; F187-L190 PolarHBondContact O-N 3.29Å; F187-T191 HydrophobicContact CD1-CG2 4.05Å; F187-T191 HydrophobicContact CE1-CG2 3.78Å; F187-T191 HydrophobicContact CE2-CG2 4.3Å; F187-T191 HydrophobicContact CG-CG2 4.44Å; F187-T191 HydrophobicContact CZ-CG2 3.91Å; F187-T191 WeakPolarHBondContact O-CB 3.44Å; F187-T191 WeakPolarHBondContact O-CG2 3.39Å; F187-T191 PolarHBondContact O-N 3.41Å; F187-T191 PolarHBondContact O-OG1 3.23Å |
| 188 | I | 91.9 | Very high | 78.1 | Confident | 68 Ų | 68 | 68 Ų | 68 | 35% | 0.349 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 173.6 | -69.8 | 164.4 | 0 | 0 | 0 | 109.7 | H48 D184 V186 L190 T191 S192 | H48-I188 HydrophobicContact CB-CG1 4Å; D184-I188 VanDerWaalsContact O-CB 3.27Å; D184-I188 WeakPolarHBondContact O-CB 3.34Å; D184-I188 WeakPolarHBondContact O-CD1 3.09Å; D184-I188 WeakPolarHBondContact O-CG1 2.97Å; D184-I188 PolarHBondContact O-N 2.75Å; V186-I188 VanDerWaalsContact C-N 3.34Å; V186-I188 PolarHBondContact O-N 3.41Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 2.71Å; I188-T191 PolarHBondContact O-N 2.9Å; I188-T191 PolarHBondContact O-OG1 3.3Å; I188-S192 WeakPolarHBondContact O-CA 3.15Å; I188-S192 WeakPolarHBondContact O-CB 3.3Å; I188-S192 PolarHBondContact O-N 2.93Å; I188-S192 PolarHBondContact O-OG 3.07Å |
| 189 | D | 89.2 | Confident | 75.9 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 179 | -175.9 | 62.5 | 0 | 0 | 0 | 112.1 | S185 V186 T191 S192 | S185-D189 WeakPolarHBondContact O-CB 3.39Å; S185-D189 PolarHBondContact O-N 3.49Å; V186-D189 PolarHBondContact O-N 3.39Å; D189-T191 VanDerWaalsContact C-N 3.31Å; D189-T191 PolarHBondContact O-N 3.36Å; D189-S192 PolarHBondContact O-OG 3.45Å |
| 190 | L | 89.2 | Confident | 73.5 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.5 | -26.5 | -179.8 | -66.4 | -169.6 | 0 | 0 | 0 | 114.2 | L120 K149 I151 V186 F187 I188 | L120-L190 HydrophobicContact CD1-CD1 3.79Å; K149-L190 HydrophobicContact CB-CD1 4.32Å; K149-L190 HydrophobicContact CD-CD1 4.18Å; K149-L190 HydrophobicContact CD-CD2 3.58Å; K149-L190 HydrophobicContact CD-CG 4.35Å; I151-L190 HydrophobicContact CD1-CD1 3.84Å; I151-L190 HydrophobicContact CG1-CD1 4.18Å; V186-L190 HydrophobicContact CG1-CD1 4.22Å; V186-L190 HydrophobicContact CG1-CG 4.31Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 VanDerWaalsContact O-CG 3.29Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 3.11Å; F187-L190 PolarHBondContact O-N 3.29Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 2.71Å |
| 191 | T | 89.8 | Confident | 70.6 | Confident | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.086 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -103.6 | -20.6 | -177.7 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | V19 V21 L49 L120 F187 I188 D189 N193 | V19-T191 HydrophobicContact CG1-CG2 4.29Å; V21-T191 HydrophobicContact CG2-CG2 4.46Å; L49-T191 HydrophobicContact CD2-CG2 3.65Å; L120-T191 HydrophobicContact CD2-CG2 3.67Å; F187-T191 HydrophobicContact CD1-CG2 4.05Å; F187-T191 HydrophobicContact CE1-CG2 3.78Å; F187-T191 HydrophobicContact CE2-CG2 4.3Å; F187-T191 HydrophobicContact CG-CG2 4.44Å; F187-T191 HydrophobicContact CZ-CG2 3.91Å; F187-T191 WeakPolarHBondContact O-CB 3.44Å; F187-T191 WeakPolarHBondContact O-CG2 3.39Å; F187-T191 PolarHBondContact O-N 3.41Å; F187-T191 PolarHBondContact O-OG1 3.23Å; I188-T191 PolarHBondContact O-N 2.9Å; I188-T191 PolarHBondContact O-OG1 3.3Å; D189-T191 VanDerWaalsContact C-N 3.31Å; D189-T191 PolarHBondContact O-N 3.36Å; T191-N193 PolarHBondContact O-N 2.91Å; T191-N193 VanDerWaalsContact O-N 3.13Å |
| 192 | S | 81.4 | Confident | 68.1 | Low | 56 Ų | 56 | 70.9 Ų | 70.9 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -74.6 | 104.2 | 172.2 | 74.6 | 0 | 0 | 0 | 0 | 106.7 | I188 D189 G194 | I188-S192 WeakPolarHBondContact O-CA 3.15Å; I188-S192 WeakPolarHBondContact O-CB 3.3Å; I188-S192 PolarHBondContact O-N 2.93Å; I188-S192 PolarHBondContact O-OG 3.07Å; D189-S192 PolarHBondContact O-OG 3.45Å; S192-G194 PolarHBondContact O-N 3.35Å |
| 193 | N | 62.9 | Low | 65.6 | Low | 48 Ų | 48 | 69.1 Ų | 69.1 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | trans | -48.6 | 106.7 | 177.7 | -69.1 | -30.6 | 0 | 0 | 0 | 110.5 | K16 K17 V19 T191 C195 | K16-N193 HydrophobicContact CB-CB 3.8Å; K16-N193 WeakPolarHBondContact CB-ND2 3.45Å; K16-N193 HydrophobicContact CD-CB 4.35Å; K16-N193 HydrophobicContact CG-CB 3.75Å; K17-N193 PolarHBondContact O-ND2 3.45Å; K17-N193 PolarHBondContact O-OD1 3.43Å; V19-N193 WeakPolarHBondContact CG2-OD1 3.33Å; T191-N193 PolarHBondContact O-N 2.91Å; T191-N193 VanDerWaalsContact O-N 3.13Å; N193-C195 PolarHBondContact O-N 3.39Å | ||
| 194 | G | 50.2 | Low | 63.1 | Low | 62 Ų | 62 | 73.1 Ų | 73.1 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | trans | -57.2 | 84.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C14 S192 | C14-G194 PolarHBondContact SG-O 3.48Å; C14-G194 VanDerWaalsContact SG-O 3.41Å; S192-G194 PolarHBondContact O-N 3.35Å | ||
| 195 | C | 45.9 | Very low | 60.5 | Low | 57 Ų | 57 | 75.5 Ų | 75.5 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | trans | -94 | 32 | 152 | -57.8 | 0 | 0 | 0 | 0 | 110 | C14 N193 P197 | C14-C195 HydrophobicContact CB-CB 3.84Å; C14-C195 WeakPolarHBondContact CB-SG 3.29Å; C14-C195 PolarHBondContact O-SG 3.25Å; C14-C195 WeakPolarHBondContact SG-CA 3.33Å; C14-C195 WeakPolarHBondContact SG-CB 3.46Å; C14-C195 CovalentContact SG-SG 2.05Å; C14-C195 PolarHBondContact SG-SG 2.84Å; N193-C195 PolarHBondContact O-N 3.39Å; C195-P197 WeakPolarHBondContact O-CD 3.48Å | ||
| 196 | N | 45 | Very low | 58.1 | Low | 127 Ų | 127 | 78.6 Ų | 78.6 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -72.2 | 108.4 | 142.9 | -75.1 | -15.5 | 0 | 0 | 0 | 104.1 | E198 | N196-E198 PolarHBondContact O-N 3.43Š|
| 197 | P | 39.5 | Very low | 55.7 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | trans | -48.3 | 120.9 | 152.1 | 23.3 | -30.4 | 0 | 0 | 0 | 104.1 | C195 P199 | C195-P197 WeakPolarHBondContact O-CD 3.48Å; P197-P199 WeakPolarHBondContact O-CD 3.27Å | ||
| 198 | E | 36.8 | Very low | 53.9 | Low | 173 Ų | 173 | 89 Ų | 89 | 81% | 0.808 | 54% | 0.543 | S | S | * | . | trans | -39.8 | 122.1 | 157.4 | -74.8 | -179.4 | 172.3 | 0 | 0 | 104.5 | N196 S200 | N196-E198 PolarHBondContact O-N 3.43Å; E198-S200 VanDerWaalsContact C-N 3.27Å; E198-S200 PolarHBondContact O-N 3.45Å | ||
| 199 | P | 38.2 | Very low | 52.6 | Low | 106 Ų | 106 | 88.6 Ų | 88.6 | 69% | 0.688 | 55% | 0.55 | S | S | * | * | trans | -52.6 | 103.6 | -172.8 | 14.7 | -26.5 | 0 | 0 | 0 | 106.7 | P197 G201 | P197-P199 WeakPolarHBondContact O-CD 3.27Å; P199-G201 PolarHBondContact O-N 3.47Å; P199-G201 VanDerWaalsContact O-O 3.06Å | ||
| 200 | S | 36.7 | Very low | 51.8 | Low | 126 Ų | 126 | 85.8 Ų | 85.8 | 88% | 0.881 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -82 | 53.2 | 172.1 | 39.6 | 0 | 0 | 0 | 0 | 106.2 | E198 | E198-S200 VanDerWaalsContact C-N 3.27Å; E198-S200 PolarHBondContact O-N 3.45Å |
| 201 | G | 32.2 | Very low | 51 | Low | 36 Ų | 36 | 87.9 Ų | 87.9 | 37% | 0.371 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -140.6 | 133.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 103.8 | P199 S203 | P199-G201 PolarHBondContact O-N 3.47Å; P199-G201 VanDerWaalsContact O-O 3.06Å; G201-S203 PolarHBondContact O-N 3.06Å |
| 202 | P | 38.9 | Very low | 50.6 | Low | 135 Ų | 135 | 89.5 Ų | 89.5 | 88% | 0.877 | 56% | 0.56 | S | S | * | * | trans | -58.9 | 96.9 | 160.9 | 26.5 | -29.4 | 0 | 0 | 0 | 105.7 | S204 | P202-S204 PolarHBondContact O-N 3.21Š| ||
| 203 | S | 40.9 | Very low | 50.9 | Low | 71 Ų | 71 | 90.7 Ų | 90.7 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | trans | -50.8 | 128.3 | 152.5 | 42.1 | 0 | 0 | 0 | 0 | 104.2 | G201 D205 | G201-S203 PolarHBondContact O-N 3.06Å; S203-D205 VanDerWaalsContact C-N 3.32Å; S203-D205 PolarHBondContact O-N 3.32Å | ||
| 204 | S | 42 | Very low | 52 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | trans | -47.9 | 105.2 | 165.6 | 40.1 | 0 | 0 | 0 | 0 | 107.2 | P202 E206 | P202-S204 PolarHBondContact O-N 3.21Å; S204-E206 PolarHBondContact O-N 3.4Å | ||
| 205 | D | 41.3 | Very low | 53.6 | Low | 84 Ų | 84 | 92 Ų | 92 | 45% | 0.449 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | 35.7 | 178.1 | -73.3 | -30.6 | 0 | 0 | 0 | 111.7 | S203 | S203-D205 VanDerWaalsContact C-N 3.32Å; S203-D205 PolarHBondContact O-N 3.32Å |
| 206 | E | 43.1 | Very low | 55.5 | Low | 139 Ų | 139 | 89.9 Ų | 89.9 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -28.4 | 172.3 | -72.7 | -177.6 | 152.7 | 0 | 0 | 111.1 | S204 C208 | S204-E206 PolarHBondContact O-N 3.4Å; E206-C208 VanDerWaalsContact C-N 3.34Å; E206-C208 PolarHBondContact O-N 3.05Å |
| 207 | D | 41.5 | Very low | 57 | Low | 159 Ų | 159 | 86.4 Ų | 86.4 | 85% | 0.85 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -9 | -173.8 | -87.1 | -14.4 | 0 | 0 | 0 | 115.1 | ||
| 208 | C | 54.7 | Low | 58.5 | Low | 93 Ų | 93 | 82.8 Ų | 82.8 | 63% | 0.628 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 27.2 | 176.1 | -76.3 | 0 | 0 | 0 | 0 | 113.1 | E206 A210 H247 | E206-C208 VanDerWaalsContact C-N 3.34Å; E206-C208 PolarHBondContact O-N 3.05Å; C208-A210 PolarHBondContact O-N 2.95Å; C208-H247 PolarHBondContact O-CE1 3.09Å; C208-H247 PolarHBondContact O-ND1 2.86Å |
| 209 | A | 64.3 | Low | 60 | Low | 60 Ų | 60 | 76.2 Ų | 76.2 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | trans | -58.9 | 122 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A246 | A209-A246 VanDerWaalsContact CA-O 3.31Å; A209-A246 WeakPolarHBondContact CA-O 3.34Å; A209-A246 WeakPolarHBondContact CB-O 3.04Å | ||
| 210 | A | 73 | Confident | 61.1 | Low | 41 Ų | 41 | 75.1 Ų | 75.1 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | trans | -144.3 | 139.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | C208 A246 H247 R248 | C208-A210 PolarHBondContact O-N 2.95Å; A210-A246 PolarHBondContact N-O 3.34Å; A210-H247 VanDerWaalsContact O-CA 3.3Å; A210-H247 WeakPolarHBondContact O-CA 3.49Å; A210-R248 PolarHBondContact O-N 3.11Å; A210-R248 VanDerWaalsContact O-N 3.12Å | ||
| 211 | D | 73.8 | Confident | 61.8 | Low | 78 Ų | 78 | 76.8 Ų | 76.8 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.5 | 171.8 | -69.5 | -24.3 | 0 | 0 | 0 | 109.6 | R248 F266 | D211-R248 WeakPolarHBondContact CA-O 3.29Å; D211-R248 WeakPolarHBondContact OD1-CB 3.37Å; D211-R248 IonicContact OD1-CZ 3.56Å; D211-R248 IonicContact OD1-NE 2.85Å; D211-R248 PolarHBondContact OD1-NE 2.63Å; D211-R248 IonicContact OD1-NH2 2.68Å; D211-R248 PolarHBondContact OD1-NH2 3.34Å; D211-R248 IonicContact OD2-CZ 2.6Å; D211-R248 IonicContact OD2-NE 3.91Å; D211-R248 IonicContact OD2-NH2 3.18Å; D211-R248 PolarHBondContact OD2-NH2 3.06Å; D211-F266 HydrophobicContact CB-CD1 4Å; D211-F266 HydrophobicContact CB-CD2 4.49Å; D211-F266 HydrophobicContact CB-CE1 3.69Å; D211-F266 HydrophobicContact CB-CE2 4.2Å; D211-F266 HydrophobicContact CB-CG 4.4Å; D211-F266 HydrophobicContact CB-CZ 3.79Å |
| 212 | I | 80.5 | Confident | 62.9 | Low | 47 Ų | 47 | 77.1 Ų | 77.1 | 24% | 0.241 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110.6 | -174.8 | -61.2 | 166.9 | 0 | 0 | 0 | 109.4 | F214 L240 R248 V249 A250 F266 | I212-F214 HydrophobicContact CG2-CD2 4.26Å; I212-F214 HydrophobicContact CG2-CE2 3.72Å; I212-F214 HydrophobicContact CG2-CZ 3.96Å; I212-L240 HydrophobicContact CD1-CD1 3.5Å; I212-L240 VanDerWaalsContact CD1-CD1 3.5Å; I212-L240 HydrophobicContact CD1-CD2 3.64Å; I212-L240 HydrophobicContact CD1-CG 4.23Å; I212-R248 PolarHBondContact N-O 3.37Å; I212-V249 HydrophobicContact CB-CG2 4.49Å; I212-V249 VanDerWaalsContact O-CA 3.31Å; I212-V249 WeakPolarHBondContact O-CA 3.31Å; I212-A250 PolarHBondContact O-N 3.11Å; I212-F266 WeakPolarHBondContact O-CE1 3.44Å |
| 213 | L | 86.7 | Confident | 63.4 | Low | 82 Ų | 82 | 76.5 Ų | 76.5 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.6 | 175.8 | 174.1 | 62.6 | 0 | 0 | 0 | 110 | I215 A250 I252 F266 | L213-I215 HydrophobicContact CD2-CD1 4.31Å; L213-I215 HydrophobicContact CD2-CG1 4.22Å; L213-I215 HydrophobicContact CG-CG1 4.1Å; L213-A250 HydrophobicContact CD1-CB 3.71Å; L213-I252 HydrophobicContact CD1-CB 4.45Å; L213-I252 HydrophobicContact CD1-CD1 3.73Å; L213-I252 HydrophobicContact CD1-CG1 3.83Å; L213-I252 HydrophobicContact CD2-CD1 4.21Å; L213-F266 HydrophobicContact CB-CZ 4.05Å |
| 214 | F | 86.6 | Confident | 64.3 | Low | 29 Ų | 29 | 77.9 Ų | 77.9 | 13% | 0.127 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.7 | 166.6 | -69.3 | -81.8 | 0 | 0 | 0 | 110.1 | I212 V233 M236 I237 V249 A250 L251 I252 | I212-F214 HydrophobicContact CG2-CD2 4.26Å; I212-F214 HydrophobicContact CG2-CE2 3.72Å; I212-F214 HydrophobicContact CG2-CZ 3.96Å; F214-V233 HydrophobicContact CB-CG2 4.33Å; F214-V233 HydrophobicContact CD1-CB 4.48Å; F214-V233 HydrophobicContact CD1-CG1 4.27Å; F214-V233 HydrophobicContact CD1-CG2 3.8Å; F214-V233 HydrophobicContact CD2-CG1 3.89Å; F214-V233 HydrophobicContact CE1-CG1 4.45Å; F214-V233 HydrophobicContact CE1-CG2 4.3Å; F214-V233 HydrophobicContact CE2-CG1 4.09Å; F214-V233 HydrophobicContact CG-CG1 3.98Å; F214-V233 HydrophobicContact CG-CG2 4.05Å; F214-V233 HydrophobicContact CZ-CG1 4.37Å; F214-M236 HydrophobicContact CE1-CB 4.2Å; F214-M236 HydrophobicContact CE1-CG 4.26Å; F214-M236 HydrophobicContact CZ-CB 3.74Å; F214-M236 HydrophobicContact CZ-CG 4.29Å; F214-I237 HydrophobicContact CE2-CG1 4.41Å; F214-V249 HydrophobicContact CD2-CG1 3.56Å; F214-V249 HydrophobicContact CE2-CG1 3.66Å; F214-A250 PolarHBondContact N-O 3.2Å; F214-L251 HydrophobicContact CB-CD1 3.44Å; F214-L251 VanDerWaalsContact CB-CD1 3.44Å; F214-L251 WeakPolarHBondContact O-CA 3.29Å; F214-I252 PolarHBondContact O-N 2.93Å |
| 215 | I | 85 | Confident | 65.6 | Low | 109 Ų | 109 | 77.4 Ų | 77.4 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 110.6 | 172 | -53.9 | 177.6 | 0 | 0 | 0 | 106.8 | L213 I252 F254 | L213-I215 HydrophobicContact CD2-CD1 4.31Å; L213-I215 HydrophobicContact CD2-CG1 4.22Å; L213-I215 HydrophobicContact CG-CG1 4.1Å; I215-I252 CarbonylContact C-O 3.6Å; I215-I252 WeakPolarHBondContact CA-O 3.28Å; I215-F254 HydrophobicContact CG2-CD1 3.51Å; I215-F254 HydrophobicContact CG2-CE1 3.7Å |
| 216 | L | 84.1 | Confident | 67.4 | Low | 12 Ų | 12 | 74.3 Ų | 74.3 | 6% | 0.063 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.1 | -177.7 | -80 | 175.7 | 0 | 0 | 0 | 111 | G218 K229 V233 L251 I252 E253 F254 | L216-G218 PolarHBondContact O-N 2.95Å; L216-K229 HydrophobicContact CD2-CB 3.65Å; L216-V233 HydrophobicContact CD1-CG2 4.27Å; L216-V233 HydrophobicContact CD2-CG2 3.93Å; L216-V233 HydrophobicContact CG-CG2 4.25Å; L216-L251 HydrophobicContact CB-CD1 4.26Å; L216-L251 HydrophobicContact CD1-CD1 3.44Å; L216-L251 VanDerWaalsContact CD1-CD1 3.44Å; L216-L251 HydrophobicContact CD1-CD2 3.9Å; L216-L251 HydrophobicContact CD1-CG 4.18Å; L216-L251 HydrophobicContact CG-CD1 3.6Å; L216-I252 PolarHBondContact N-O 3.42Å; L216-E253 CarbonylContact O-C 3.5Å; L216-E253 WeakPolarHBondContact O-CA 3.34Å; L216-F254 VanDerWaalsContact O-CD1 3.23Å; L216-F254 WeakPolarHBondContact O-CD1 3.45Å; L216-F254 PolarHBondContact O-N 2.98Å |
| 217 | D | 76.5 | Confident | 69.3 | Low | 54 Ų | 54 | 71.7 Ų | 71.7 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 112.8 | 170.1 | -174.2 | -4.2 | 0 | 0 | 0 | 110.2 | S219 K229 F254 | D217-S219 VanDerWaalsContact CG-OG 3.28Å; D217-S219 WeakPolarHBondContact OD1-CB 3.15Å; D217-S219 PolarHBondContact OD1-N 2.82Å; D217-S219 PolarHBondContact OD1-OG 2.88Å; D217-S219 PolarHBondContact OD2-OG 3.29Å; D217-K229 WeakPolarHBondContact O-CD 3.3Å; D217-K229 PolarHBondContact O-NZ 3.24Å; D217-F254 CarbonylContact C-O 3.59Å; D217-F254 WeakPolarHBondContact CA-O 3.49Å; D217-F254 HydrophobicContact CB-CE1 3.71Å; D217-F254 HydrophobicContact CB-CE2 4.25Å; D217-F254 HydrophobicContact CB-CZ 3.53Å |
| 218 | G | 71.6 | Confident | 71.2 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 22% | 0.216 | 42% | 0.422 | C | S | . | . | trans | -96.1 | 12.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L216 G220 F254 | L216-G218 PolarHBondContact O-N 2.95Å; G218-G220 PolarHBondContact O-N 3.32Å; G218-F254 PolarHBondContact N-O 2.82Å | ||
| 219 | S | 67.5 | Low | 72.5 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 25% | 0.245 | 40% | 0.4 | C | S | . | . | trans | -65.7 | 129.5 | 172.1 | 68 | 0 | 0 | 0 | 0 | 110.4 | D217 N221 | D217-S219 VanDerWaalsContact CG-OG 3.28Å; D217-S219 WeakPolarHBondContact OD1-CB 3.15Å; D217-S219 PolarHBondContact OD1-N 2.82Å; D217-S219 PolarHBondContact OD1-OG 2.88Å; D217-S219 PolarHBondContact OD2-OG 3.29Å; S219-N221 PolarHBondContact O-N 3.39Å | ||
| 220 | G | 62.5 | Low | 73.6 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 86% | 0.856 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 14.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G218 | G218-G220 PolarHBondContact O-N 3.32Š|
| 221 | N | 52.1 | Low | 74.2 | Confident | 160 Ų | 160 | 64 Ų | 64 | 86% | 0.856 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 0.4 | -173.9 | -77.8 | -20.8 | 0 | 0 | 0 | 114.5 | S219 | S219-N221 PolarHBondContact O-N 3.39Š|
| 222 | A | 53.8 | Low | 74.8 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 36% | 0.355 | 39% | 0.386 | S | S | . | . | trans | -80 | 135.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D224 | A222-D224 PolarHBondContact O-N 3.07Š| ||
| 223 | S | 50.4 | Low | 75.2 | Confident | 122 Ų | 122 | 63 Ų | 63 | 85% | 0.853 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -57.9 | -20.3 | 175.7 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 224 | D | 58.4 | Low | 75.3 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -98.1 | 128.1 | -179.5 | -59.5 | -16.6 | 0 | 0 | 0 | 109.7 | A222 A228 | A222-D224 PolarHBondContact O-N 3.07Å; D224-A228 HydrophobicContact CB-CB 4.32Å |
| 225 | S | 70.9 | Confident | 75.3 | Confident | 75 Ų | 75 | 62 Ų | 62 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | trans | -55.1 | 144.9 | 177 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | E227 A228 K229 | S225-E227 PolarHBondContact O-N 3.36Å; S225-A228 WeakPolarHBondContact O-CB 3.39Å; S225-A228 PolarHBondContact O-N 3.41Å; S225-A228 PolarHBondContact OG-N 3.47Å; S225-K229 PolarHBondContact O-N 2.86Å | ||
| 226 | F | 78.3 | Confident | 75.3 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -50.8 | -31.2 | 172.6 | -174.9 | -109.6 | 0 | 0 | 0 | 111.9 | K229 K230 E253 | F226-K229 WeakPolarHBondContact O-CB 3.17Å; F226-K229 PolarHBondContact O-N 3.06Å; F226-K230 HydrophobicContact CD1-CD 4.14Å; F226-K230 HydrophobicContact CD1-CG 4.43Å; F226-K230 HydrophobicContact CE1-CD 3.86Å; F226-K230 HydrophobicContact CE1-CG 4.24Å; F226-K230 PolarHBondContact O-N 2.68Å; F226-E253 HydrophobicContact CE2-CG 4.19Å; F226-E253 HydrophobicContact CZ-CG 4.23Å |
| 227 | E | 82.6 | Confident | 75.4 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 170.2 | -68.2 | -58 | 147.8 | 0 | 0 | 114.3 | S225 K229 K230 Q231 | S225-E227 PolarHBondContact O-N 3.36Å; E227-K229 VanDerWaalsContact C-N 3.29Å; E227-K229 PolarHBondContact O-N 3.18Å; E227-K230 VanDerWaalsContact CD-NZ 3.3Å; E227-K230 WeakPolarHBondContact O-CB 3.44Å; E227-K230 PolarHBondContact O-N 2.81Å; E227-K230 WeakPolarHBondContact OE1-CE 3.44Å; E227-K230 IonicContact OE1-NZ 2.85Å; E227-K230 PolarHBondContact OE1-NZ 2.83Å; E227-K230 WeakPolarHBondContact OE2-CE 3.22Å; E227-K230 IonicContact OE2-NZ 2.72Å; E227-K230 PolarHBondContact OE2-NZ 2.84Å; E227-Q231 WeakPolarHBondContact O-CG 3.23Å; E227-Q231 PolarHBondContact O-N 2.91Å |
| 228 | A | 81.5 | Confident | 75.8 | Confident | 44 Ų | 44 | 61 Ų | 61 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D224 S225 Q231 F232 | D224-A228 HydrophobicContact CB-CB 4.32Å; S225-A228 WeakPolarHBondContact O-CB 3.39Å; S225-A228 PolarHBondContact O-N 3.41Å; S225-A228 PolarHBondContact OG-N 3.47Å; A228-Q231 PolarHBondContact O-N 3.15Å; A228-F232 PolarHBondContact O-N 3.08Å |
| 229 | K | 82.8 | Confident | 76.3 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 17% | 0.174 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 174.7 | -56 | 174.5 | 179.2 | 167.9 | 0 | 111.4 | L216 D217 S225 F226 E227 F232 V233 | L216-K229 HydrophobicContact CD2-CB 3.65Å; D217-K229 WeakPolarHBondContact O-CD 3.3Å; D217-K229 PolarHBondContact O-NZ 3.24Å; S225-K229 PolarHBondContact O-N 2.86Å; F226-K229 WeakPolarHBondContact O-CB 3.17Å; F226-K229 PolarHBondContact O-N 3.06Å; E227-K229 VanDerWaalsContact C-N 3.29Å; E227-K229 PolarHBondContact O-N 3.18Å; K229-F232 WeakPolarHBondContact O-CB 3.36Å; K229-F232 PolarHBondContact O-N 3.28Å; K229-V233 PolarHBondContact O-N 2.85Å; K229-V233 VanDerWaalsContact O-N 3.12Å |
| 230 | K | 86.5 | Confident | 76.8 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.035 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 172.1 | -71.1 | -171.4 | -66.7 | 179.4 | 0 | 112.2 | F226 E227 F232 V233 K234 V279 S282 | F226-K230 HydrophobicContact CD1-CD 4.14Å; F226-K230 HydrophobicContact CD1-CG 4.43Å; F226-K230 HydrophobicContact CE1-CD 3.86Å; F226-K230 HydrophobicContact CE1-CG 4.24Å; F226-K230 PolarHBondContact O-N 2.68Å; E227-K230 VanDerWaalsContact CD-NZ 3.3Å; E227-K230 WeakPolarHBondContact O-CB 3.44Å; E227-K230 PolarHBondContact O-N 2.81Å; E227-K230 WeakPolarHBondContact OE1-CE 3.44Å; E227-K230 IonicContact OE1-NZ 2.85Å; E227-K230 PolarHBondContact OE1-NZ 2.83Å; E227-K230 WeakPolarHBondContact OE2-CE 3.22Å; E227-K230 IonicContact OE2-NZ 2.72Å; E227-K230 PolarHBondContact OE2-NZ 2.84Å; K230-F232 VanDerWaalsContact C-N 3.3Å; K230-F232 PolarHBondContact O-N 3.49Å; K230-V233 PolarHBondContact O-N 3.48Å; K230-K234 WeakPolarHBondContact O-CG 3.38Å; K230-K234 PolarHBondContact O-N 3.48Å; K230-V279 HydrophobicContact CB-CG1 4.16Å; K230-V279 WeakPolarHBondContact CD-O 3.49Å; K230-V279 HydrophobicContact CG-CG1 4.37Å; K230-S282 WeakPolarHBondContact CD-OG 3.33Å |
| 231 | Q | 86.2 | Confident | 77.7 | Confident | 99 Ų | 99 | 65.5 Ų | 65.5 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 175.7 | -67.5 | -50.1 | -44.1 | 0 | 0 | 112.4 | E227 A228 K234 S235 | E227-Q231 WeakPolarHBondContact O-CG 3.23Å; E227-Q231 PolarHBondContact O-N 2.91Å; A228-Q231 PolarHBondContact O-N 3.15Å; Q231-K234 PolarHBondContact O-N 3.27Å; Q231-S235 PolarHBondContact O-N 3.18Å |
| 232 | F | 85.7 | Confident | 79 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 173.5 | 175.9 | -98.1 | 0 | 0 | 0 | 112.1 | A228 K229 K230 K234 S235 M236 | A228-F232 PolarHBondContact O-N 3.08Å; K229-F232 WeakPolarHBondContact O-CB 3.36Å; K229-F232 PolarHBondContact O-N 3.28Å; K230-F232 VanDerWaalsContact C-N 3.3Å; K230-F232 PolarHBondContact O-N 3.49Å; F232-K234 VanDerWaalsContact C-N 3.27Å; F232-K234 PolarHBondContact O-N 2.98Å; F232-S235 PolarHBondContact O-N 3.03Å; F232-S235 PolarHBondContact O-OG 3.06Å; F232-M236 HydrophobicContact CE1-CG 4.13Å; F232-M236 HydrophobicContact CE2-CE 4.22Å; F232-M236 HydrophobicContact CE2-CG 4.38Å; F232-M236 HydrophobicContact CZ-CG 4.02Å; F232-M236 HydrophobicContact CZ-SD 4.31Å; F232-M236 WeakPolarHBondContact O-CG 3.39Å; F232-M236 PolarHBondContact O-N 3Å; F232-M236 VanDerWaalsContact O-N 3.11Å |
| 233 | V | 89.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | F214 L216 K229 K230 M236 I237 V279 | F214-V233 HydrophobicContact CB-CG2 4.33Å; F214-V233 HydrophobicContact CD1-CB 4.48Å; F214-V233 HydrophobicContact CD1-CG1 4.27Å; F214-V233 HydrophobicContact CD1-CG2 3.8Å; F214-V233 HydrophobicContact CD2-CG1 3.89Å; F214-V233 HydrophobicContact CE1-CG1 4.45Å; F214-V233 HydrophobicContact CE1-CG2 4.3Å; F214-V233 HydrophobicContact CE2-CG1 4.09Å; F214-V233 HydrophobicContact CG-CG1 3.98Å; F214-V233 HydrophobicContact CG-CG2 4.05Å; F214-V233 HydrophobicContact CZ-CG1 4.37Å; L216-V233 HydrophobicContact CD1-CG2 4.27Å; L216-V233 HydrophobicContact CD2-CG2 3.93Å; L216-V233 HydrophobicContact CG-CG2 4.25Å; K229-V233 PolarHBondContact O-N 2.85Å; K229-V233 VanDerWaalsContact O-N 3.12Å; K230-V233 PolarHBondContact O-N 3.48Å; V233-M236 PolarHBondContact O-N 3.08Å; V233-I237 HydrophobicContact CG1-CD1 3.7Å; V233-I237 HydrophobicContact CG1-CG1 4.47Å; V233-I237 WeakPolarHBondContact O-CD1 3.34Å; V233-I237 VanDerWaalsContact O-CG1 3.29Å; V233-I237 WeakPolarHBondContact O-CG1 3.45Å; V233-I237 PolarHBondContact O-N 3.47Å; V233-V279 HydrophobicContact CB-CG1 4.38Å; V233-V279 HydrophobicContact CG1-CG1 4.25Å; V233-V279 HydrophobicContact CG1-CG2 4.07Å |
| 234 | K | 89.2 | Confident | 81.2 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 176.9 | -68.7 | 174.8 | 73.8 | 175.2 | 0 | 113.1 | K230 Q231 F232 M236 I237 N238 L276 V279 D280 | K230-K234 WeakPolarHBondContact O-CG 3.38Å; K230-K234 PolarHBondContact O-N 3.48Å; Q231-K234 PolarHBondContact O-N 3.27Å; F232-K234 VanDerWaalsContact C-N 3.27Å; F232-K234 PolarHBondContact O-N 2.98Å; K234-M236 VanDerWaalsContact C-N 3.3Å; K234-M236 PolarHBondContact O-N 3.19Å; K234-I237 PolarHBondContact O-N 3.36Å; K234-N238 PolarHBondContact O-N 3.46Å; K234-N238 PolarHBondContact O-ND2 2.9Å; K234-L276 HydrophobicContact CB-CD2 3.9Å; K234-L276 HydrophobicContact CG-CD2 3.94Å; K234-V279 HydrophobicContact CD-CG1 4.33Å; K234-V279 HydrophobicContact CG-CB 4.2Å; K234-V279 HydrophobicContact CG-CG1 3.81Å; K234-D280 WeakPolarHBondContact CD-OD1 3.48Å; K234-D280 WeakPolarHBondContact CE-OD1 3.28Å; K234-D280 IonicContact NZ-OD1 2.84Å; K234-D280 PolarHBondContact NZ-OD1 2.86Å; K234-D280 IonicContact NZ-OD2 3.86Å; K234-D280 PolarHBondContact NZ-OD2 3.04Å |
| 235 | S | 86.2 | Confident | 81.8 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | Q231 F232 N238 | Q231-S235 PolarHBondContact O-N 3.18Å; F232-S235 PolarHBondContact O-N 3.03Å; F232-S235 PolarHBondContact O-OG 3.06Å; S235-N238 PolarHBondContact O-N 2.87Å |
| 236 | M | 84.3 | Confident | 81.7 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 173.1 | -65.4 | -66.8 | 106.5 | 0 | 0 | 112.1 | F214 F232 V233 K234 N238 E239 L240 | F214-M236 HydrophobicContact CE1-CB 4.2Å; F214-M236 HydrophobicContact CE1-CG 4.26Å; F214-M236 HydrophobicContact CZ-CB 3.74Å; F214-M236 HydrophobicContact CZ-CG 4.29Å; F232-M236 HydrophobicContact CE1-CG 4.13Å; F232-M236 HydrophobicContact CE2-CE 4.22Å; F232-M236 HydrophobicContact CE2-CG 4.38Å; F232-M236 HydrophobicContact CZ-CG 4.02Å; F232-M236 HydrophobicContact CZ-SD 4.31Å; F232-M236 WeakPolarHBondContact O-CG 3.39Å; F232-M236 PolarHBondContact O-N 3Å; F232-M236 VanDerWaalsContact O-N 3.11Å; V233-M236 PolarHBondContact O-N 3.08Å; K234-M236 VanDerWaalsContact C-N 3.3Å; K234-M236 PolarHBondContact O-N 3.19Å; M236-N238 PolarHBondContact O-N 3Å; M236-E239 PolarHBondContact O-N 3.17Å; M236-E239 VanDerWaalsContact O-N 3.08Å; M236-L240 WeakPolarHBondContact O-CG 3.44Å |
| 237 | I | 86.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -32.9 | 179.1 | -70.4 | 163.6 | 0 | 0 | 0 | 112.3 | F214 V233 K234 E239 L240 I242 V249 K272 L275 L276 V279 | F214-I237 HydrophobicContact CE2-CG1 4.41Å; V233-I237 HydrophobicContact CG1-CD1 3.7Å; V233-I237 HydrophobicContact CG1-CG1 4.47Å; V233-I237 WeakPolarHBondContact O-CD1 3.34Å; V233-I237 VanDerWaalsContact O-CG1 3.29Å; V233-I237 WeakPolarHBondContact O-CG1 3.45Å; V233-I237 PolarHBondContact O-N 3.47Å; K234-I237 PolarHBondContact O-N 3.36Å; I237-E239 PolarHBondContact O-N 2.96Å; I237-L240 PolarHBondContact O-N 3.12Å; I237-I242 HydrophobicContact CG2-CG1 4.31Å; I237-V249 HydrophobicContact CD1-CG1 4.46Å; I237-K272 HydrophobicContact CG2-CG 4.25Å; I237-K272 WeakPolarHBondContact O-CE 3.38Å; I237-L275 HydrophobicContact CD1-CD2 3.94Å; I237-L275 HydrophobicContact CD1-CG 4.02Å; I237-L275 HydrophobicContact CG1-CD2 4.03Å; I237-L275 HydrophobicContact CG2-CD2 3.71Å; I237-L275 HydrophobicContact CG2-CG 4.32Å; I237-L276 HydrophobicContact CB-CD2 3.97Å; I237-L276 HydrophobicContact CG2-CD2 3.67Å; I237-L276 HydrophobicContact CG2-CG 3.9Å; I237-V279 HydrophobicContact CD1-CG2 3.81Å |
| 238 | N | 84.9 | Confident | 81.7 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -30.8 | 177.3 | -84.3 | -38.5 | 0 | 0 | 0 | 113 | K234 S235 M236 K272 L276 | K234-N238 PolarHBondContact O-N 3.46Å; K234-N238 PolarHBondContact O-ND2 2.9Å; S235-N238 PolarHBondContact O-N 2.87Å; M236-N238 PolarHBondContact O-N 3Å; N238-K272 PolarHBondContact O-NZ 3.39Å; N238-L276 WeakPolarHBondContact OD1-CD1 3.32Å |
| 239 | E | 82.3 | Confident | 81.9 | Confident | 161 Ų | 161 | 57 Ų | 57 | 75% | 0.752 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -82 | -12 | 178.4 | -57.1 | -54.7 | 138 | 0 | 0 | 113.2 | M236 I237 | M236-E239 PolarHBondContact O-N 3.17Å; M236-E239 VanDerWaalsContact O-N 3.08Å; I237-E239 PolarHBondContact O-N 2.96Å |
| 240 | L | 79.8 | Confident | 82 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -94.4 | 145.8 | -175.5 | -61.3 | 173.7 | 0 | 0 | 0 | 113.5 | I212 M236 I237 I242 H247 V249 K272 | I212-L240 HydrophobicContact CD1-CD1 3.5Å; I212-L240 VanDerWaalsContact CD1-CD1 3.5Å; I212-L240 HydrophobicContact CD1-CD2 3.64Å; I212-L240 HydrophobicContact CD1-CG 4.23Å; M236-L240 WeakPolarHBondContact O-CG 3.44Å; I237-L240 PolarHBondContact O-N 3.12Å; L240-I242 HydrophobicContact CB-CD1 3.72Å; L240-I242 HydrophobicContact CB-CG1 4.42Å; L240-I242 HydrophobicContact CD1-CD1 4.2Å; L240-I242 PolarHBondContact O-N 3.29Å; L240-H247 HydrophobicContact CB-CB 4.25Å; L240-V249 HydrophobicContact CD1-CG2 4.07Å; L240-K272 WeakPolarHBondContact O-CE 3.47Å; L240-K272 PolarHBondContact O-NZ 3.24Å |
| 241 | T | 80.3 | Confident | 82 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 28% | 0.282 | 28% | 0.276 | S | S | . | . | trans | -84.9 | 91.9 | 166.9 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | R243 A246 H247 | T241-R243 PolarHBondContact O-N 2.87Å; T241-A246 HydrophobicContact CG2-CB 4.27Å; T241-A246 WeakPolarHBondContact O-CB 3.47Å; T241-H247 PolarHBondContact N-CD2 2.69Å; T241-H247 VanDerWaalsContact N-CD2 3.33Å; T241-H247 WeakPolarHBondContact O-CB 3.28Å; T241-H247 PolarHBondContact O-CD2 3.23Å; T241-H247 PolarHBondContact O-N 2.79Å | ||
| 242 | I | 79.6 | Confident | 82 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 109.1 | -176.8 | -52 | -59.4 | 0 | 0 | 0 | 112 | I237 L240 H247 V249 K272 L275 | I237-I242 HydrophobicContact CG2-CG1 4.31Å; L240-I242 HydrophobicContact CB-CD1 3.72Å; L240-I242 HydrophobicContact CB-CG1 4.42Å; L240-I242 HydrophobicContact CD1-CD1 4.2Å; L240-I242 PolarHBondContact O-N 3.29Å; I242-H247 WeakPolarHBondContact CA-O 3.46Å; I242-H247 HydrophobicContact CD1-CB 4.13Å; I242-V249 HydrophobicContact CD1-CG2 3.73Å; I242-K272 HydrophobicContact CB-CB 4.12Å; I242-K272 HydrophobicContact CG1-CB 4.1Å; I242-K272 HydrophobicContact CG1-CG 4.39Å; I242-L275 HydrophobicContact CD1-CD2 3.77Å; I242-L275 HydrophobicContact CG1-CD2 3.9Å; I242-L275 HydrophobicContact CG2-CD2 4.07Å |
| 243 | R | 75.7 | Confident | 81.7 | Confident | 156 Ų | 156 | 47.1 Ų | 47.1 | 59% | 0.589 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -157.3 | 159 | 172.5 | -66 | -170.9 | -178.5 | 152.8 | 3.9 | 110.5 | T241 S245 A246 H247 | T241-R243 PolarHBondContact O-N 2.87Å; R243-S245 PolarHBondContact O-N 3.31Å; R243-A246 HydrophobicContact CB-CB 4.26Å; R243-A246 PolarHBondContact O-N 2.97Å; R243-H247 PolarHBondContact N-O 2.86Å |
| 244 | P | 74.5 | Confident | 81.1 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 60% | 0.597 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26 | 179.6 | -27.4 | 36 | 0 | 0 | 0 | 115.7 | ||
| 245 | S | 70.1 | Confident | 80.3 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 5.9 | -179.7 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | R243 | R243-S245 PolarHBondContact O-N 3.31Š|
| 246 | A | 69.1 | Low | 79.1 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -127.7 | -118.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A209 A210 T241 R243 | A209-A246 VanDerWaalsContact CA-O 3.31Å; A209-A246 WeakPolarHBondContact CA-O 3.34Å; A209-A246 WeakPolarHBondContact CB-O 3.04Å; A210-A246 PolarHBondContact N-O 3.34Å; T241-A246 HydrophobicContact CG2-CB 4.27Å; T241-A246 WeakPolarHBondContact O-CB 3.47Å; R243-A246 HydrophobicContact CB-CB 4.26Å; R243-A246 PolarHBondContact O-N 2.97Å |
| 247 | H | 80.6 | Confident | 77.9 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -85.9 | 132.4 | 176.4 | -57.8 | -72.2 | 0 | 0 | 0 | 111.8 | C208 A210 L240 T241 I242 R243 | C208-H247 PolarHBondContact O-CE1 3.09Å; C208-H247 PolarHBondContact O-ND1 2.86Å; A210-H247 VanDerWaalsContact O-CA 3.3Å; A210-H247 WeakPolarHBondContact O-CA 3.49Å; L240-H247 HydrophobicContact CB-CB 4.25Å; T241-H247 PolarHBondContact N-CD2 2.69Å; T241-H247 VanDerWaalsContact N-CD2 3.33Å; T241-H247 WeakPolarHBondContact O-CB 3.28Å; T241-H247 PolarHBondContact O-CD2 3.23Å; T241-H247 PolarHBondContact O-N 2.79Å; I242-H247 WeakPolarHBondContact CA-O 3.46Å; I242-H247 HydrophobicContact CD1-CB 4.13Å; R243-H247 PolarHBondContact N-O 2.86Å |
| 248 | R | 81.8 | Confident | 76.5 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143 | 171.1 | -53.6 | -178.8 | -63.6 | -177.5 | 0.7 | 108.8 | A210 D211 I212 F266 | A210-R248 PolarHBondContact O-N 3.11Å; A210-R248 VanDerWaalsContact O-N 3.12Å; D211-R248 WeakPolarHBondContact CA-O 3.29Å; D211-R248 WeakPolarHBondContact OD1-CB 3.37Å; D211-R248 IonicContact OD1-CZ 3.56Å; D211-R248 IonicContact OD1-NE 2.85Å; D211-R248 PolarHBondContact OD1-NE 2.63Å; D211-R248 IonicContact OD1-NH2 2.68Å; D211-R248 PolarHBondContact OD1-NH2 3.34Å; D211-R248 IonicContact OD2-CZ 2.6Å; D211-R248 IonicContact OD2-NE 3.91Å; D211-R248 IonicContact OD2-NH2 3.18Å; D211-R248 PolarHBondContact OD2-NH2 3.06Å; I212-R248 PolarHBondContact N-O 3.37Å; R248-F266 HydrophobicContact CB-CB 3.98Å; R248-F266 HydrophobicContact CB-CD1 4.1Å; R248-F266 HydrophobicContact CB-CG 4.46Å |
| 249 | V | 85.5 | Confident | 75.4 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.2 | -173.7 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | I212 F214 I237 L240 I242 F264 L275 | I212-V249 HydrophobicContact CB-CG2 4.49Å; I212-V249 VanDerWaalsContact O-CA 3.31Å; I212-V249 WeakPolarHBondContact O-CA 3.31Å; F214-V249 HydrophobicContact CD2-CG1 3.56Å; F214-V249 HydrophobicContact CE2-CG1 3.66Å; I237-V249 HydrophobicContact CD1-CG1 4.46Å; L240-V249 HydrophobicContact CD1-CG2 4.07Å; I242-V249 HydrophobicContact CD1-CG2 3.73Å; V249-F264 HydrophobicContact CG1-CE2 4.18Å; V249-L275 HydrophobicContact CB-CD1 4.11Å; V249-L275 HydrophobicContact CB-CD2 3.69Å; V249-L275 HydrophobicContact CG1-CD1 4.41Å; V249-L275 HydrophobicContact CG1-CD2 4.3Å; V249-L275 HydrophobicContact CG2-CD2 3.77Å |
| 250 | A | 84.6 | Confident | 74.8 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 152.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | I212 L213 F214 F264 F266 | I212-A250 PolarHBondContact O-N 3.11Å; L213-A250 HydrophobicContact CD1-CB 3.71Å; F214-A250 PolarHBondContact N-O 3.2Å; A250-F264 CarbonylContact C-O 3.51Å; A250-F264 WeakPolarHBondContact CA-O 3.5Å; A250-F266 HydrophobicContact CB-CD1 3.64Å; A250-F266 HydrophobicContact CB-CD2 4.27Å; A250-F266 HydrophobicContact CB-CE1 3.47Å; A250-F266 VanDerWaalsContact CB-CE1 3.47Å; A250-F266 HydrophobicContact CB-CE2 4.13Å; A250-F266 HydrophobicContact CB-CG 4.04Å; A250-F266 HydrophobicContact CB-CZ 3.74Å |
| 251 | L | 87.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 125.6 | 178 | 177.8 | 61.8 | 0 | 0 | 0 | 110.4 | F214 L216 L263 F264 V279 | F214-L251 HydrophobicContact CB-CD1 3.44Å; F214-L251 VanDerWaalsContact CB-CD1 3.44Å; F214-L251 WeakPolarHBondContact O-CA 3.29Å; L216-L251 HydrophobicContact CB-CD1 4.26Å; L216-L251 HydrophobicContact CD1-CD1 3.44Å; L216-L251 VanDerWaalsContact CD1-CD1 3.44Å; L216-L251 HydrophobicContact CD1-CD2 3.9Å; L216-L251 HydrophobicContact CD1-CG 4.18Å; L216-L251 HydrophobicContact CG-CD1 3.6Å; L251-L263 HydrophobicContact CB-CB 4.44Å; L251-L263 HydrophobicContact CD2-CB 4.37Å; L251-L263 HydrophobicContact CD2-CD1 3.56Å; L251-L263 HydrophobicContact CG-CB 4.27Å; L251-L263 HydrophobicContact CG-CD1 3.81Å; L251-L263 WeakPolarHBondContact O-CB 3.49Å; L251-L263 PolarHBondContact O-N 3.3Å; L251-F264 HydrophobicContact CB-CD1 4.14Å; L251-F264 HydrophobicContact CB-CD2 4.14Å; L251-F264 HydrophobicContact CB-CE1 3.62Å; L251-F264 HydrophobicContact CB-CE2 3.58Å; L251-F264 HydrophobicContact CB-CG 4.38Å; L251-F264 HydrophobicContact CB-CZ 3.3Å; L251-F264 HydrophobicContact CD2-CE1 3.71Å; L251-F264 HydrophobicContact CD2-CZ 3.9Å; L251-F264 HydrophobicContact CG-CE1 4.27Å; L251-F264 HydrophobicContact CG-CZ 4.24Å; L251-F264 PolarHBondContact N-O 2.87Å; L251-F264 PolarHBondContact O-N 3.12Å; L251-V279 HydrophobicContact CD2-CG2 4.42Å |
| 252 | I | 84.2 | Confident | 74.5 | Confident | 24 Ų | 24 | 72.4 Ų | 72.4 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.3 | 175 | -65.6 | 174.8 | 0 | 0 | 0 | 107.7 | L213 F214 I215 L216 Q260 K261 | L213-I252 HydrophobicContact CD1-CB 4.45Å; L213-I252 HydrophobicContact CD1-CD1 3.73Å; L213-I252 HydrophobicContact CD1-CG1 3.83Å; L213-I252 HydrophobicContact CD2-CD1 4.21Å; F214-I252 PolarHBondContact O-N 2.93Å; I215-I252 CarbonylContact C-O 3.6Å; I215-I252 WeakPolarHBondContact CA-O 3.28Å; L216-I252 PolarHBondContact N-O 3.42Å; I252-Q260 HydrophobicContact CG2-CG 3.39Å; I252-K261 WeakPolarHBondContact CA-O 3.46Å |
| 253 | E | 80.8 | Confident | 74.7 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 8% | 0.075 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.7 | 169.9 | -173.5 | -171.7 | 164.9 | 0 | 0 | 109.2 | L216 F226 Q260 K261 L263 | L216-E253 CarbonylContact O-C 3.5Å; L216-E253 WeakPolarHBondContact O-CA 3.34Å; F226-E253 HydrophobicContact CE2-CG 4.19Å; F226-E253 HydrophobicContact CZ-CG 4.23Å; E253-Q260 CarbonylContact O-C 3.57Å; E253-Q260 WeakPolarHBondContact O-CA 3.38Å; E253-K261 PolarHBondContact N-O 3.47Å; E253-K261 PolarHBondContact O-N 2.9Å; E253-L263 HydrophobicContact CB-CD1 4Å; E253-L263 HydrophobicContact CB-CG 4.21Å |
| 254 | F | 76.7 | Confident | 75.1 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 34% | 0.342 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.7 | 169.3 | 76.9 | -79.8 | 0 | 0 | 0 | 110.8 | I215 L216 D217 G218 R259 | I215-F254 HydrophobicContact CG2-CD1 3.51Å; I215-F254 HydrophobicContact CG2-CE1 3.7Å; L216-F254 VanDerWaalsContact O-CD1 3.23Å; L216-F254 WeakPolarHBondContact O-CD1 3.45Å; L216-F254 PolarHBondContact O-N 2.98Å; D217-F254 CarbonylContact C-O 3.59Å; D217-F254 WeakPolarHBondContact CA-O 3.49Å; D217-F254 HydrophobicContact CB-CE1 3.71Å; D217-F254 HydrophobicContact CB-CE2 4.25Å; D217-F254 HydrophobicContact CB-CZ 3.53Å; G218-F254 PolarHBondContact N-O 2.82Å; F254-R259 CarbonylContact C-O 3.57Å; F254-R259 WeakPolarHBondContact CA-O 3.48Å |
| 255 | S | 71 | Confident | 75.5 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | -22.4 | 177.2 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | R259 | S255-R259 PolarHBondContact N-O 3.17Å; S255-R259 VanDerWaalsContact OG-CB 3.29Å; S255-R259 WeakPolarHBondContact OG-CB 3.45Å; S255-R259 VanDerWaalsContact OG-CD 3.26Å; S255-R259 WeakPolarHBondContact OG-CD 3.11Å |
| 256 | D | 61.7 | Low | 76 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 179.5 | 174.4 | 66.7 | 49.5 | 0 | 0 | 0 | 110.5 | N258 R259 | D256-N258 PolarHBondContact O-N 2.87Å; D256-N258 VanDerWaalsContact O-N 3.08Å; D256-N258 WeakPolarHBondContact OD1-CA 3.37Å; D256-N258 PolarHBondContact OD1-N 3.44Å; D256-R259 PolarHBondContact O-N 3.26Å; D256-R259 WeakPolarHBondContact OD1-CB 3.49Å; D256-R259 WeakPolarHBondContact OD1-CG 3.35Å; D256-R259 PolarHBondContact OD1-N 3.43Å; D256-R259 WeakPolarHBondContact OD2-CD 3.31Å; D256-R259 VanDerWaalsContact OD2-CG 3.28Å; D256-R259 WeakPolarHBondContact OD2-CG 3.43Å; D256-R259 IonicContact OD2-NE 2.65Å; D256-R259 PolarHBondContact OD2-NE 2.96Å; D256-R259 VanDerWaalsContact OD2-NE 3.17Å |
| 257 | I | 58.6 | Low | 76.4 | Confident | 165 Ų | 165 | 68.7 Ų | 68.7 | 85% | 0.846 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.6 | -178.1 | 58.2 | 164.9 | 0 | 0 | 0 | 114.6 | ||
| 258 | N | 56.9 | Low | 76.4 | Confident | 142 Ų | 142 | 69.7 Ų | 69.7 | 76% | 0.759 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -4.6 | -175.9 | -63.7 | -39.6 | 0 | 0 | 0 | 112.9 | D256 | D256-N258 PolarHBondContact O-N 2.87Å; D256-N258 VanDerWaalsContact O-N 3.08Å; D256-N258 WeakPolarHBondContact OD1-CA 3.37Å; D256-N258 PolarHBondContact OD1-N 3.44Å |
| 259 | R | 62.2 | Low | 76.6 | Confident | 152 Ų | 152 | 69.1 Ų | 69.1 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 88.2 | 178.9 | -69.9 | -175.3 | -165.4 | -138.1 | 1 | 109.9 | F254 S255 D256 | F254-R259 CarbonylContact C-O 3.57Å; F254-R259 WeakPolarHBondContact CA-O 3.48Å; S255-R259 PolarHBondContact N-O 3.17Å; S255-R259 VanDerWaalsContact OG-CB 3.29Å; S255-R259 WeakPolarHBondContact OG-CB 3.45Å; S255-R259 VanDerWaalsContact OG-CD 3.26Å; S255-R259 WeakPolarHBondContact OG-CD 3.11Å; D256-R259 PolarHBondContact O-N 3.26Å; D256-R259 WeakPolarHBondContact OD1-CB 3.49Å; D256-R259 WeakPolarHBondContact OD1-CG 3.35Å; D256-R259 PolarHBondContact OD1-N 3.43Å; D256-R259 WeakPolarHBondContact OD2-CD 3.31Å; D256-R259 VanDerWaalsContact OD2-CG 3.28Å; D256-R259 WeakPolarHBondContact OD2-CG 3.43Å; D256-R259 IonicContact OD2-NE 2.65Å; D256-R259 PolarHBondContact OD2-NE 2.96Å; D256-R259 VanDerWaalsContact OD2-NE 3.17Å |
| 260 | Q | 70.1 | Confident | 76.4 | Confident | 143 Ų | 143 | 72.3 Ų | 72.3 | 67% | 0.668 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.3 | 165 | -176.1 | -176.7 | -16.1 | 0 | 0 | 108.5 | I252 E253 | I252-Q260 HydrophobicContact CG2-CG 3.39Å; E253-Q260 CarbonylContact O-C 3.57Å; E253-Q260 WeakPolarHBondContact O-CA 3.38Å |
| 261 | K | 77.2 | Confident | 76.4 | Confident | 103 Ų | 103 | 75 Ų | 75 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.9 | 179.6 | -176.1 | -178.1 | 176.9 | -169.2 | 0 | 109.4 | I252 E253 L263 | I252-K261 WeakPolarHBondContact CA-O 3.46Å; E253-K261 PolarHBondContact N-O 3.47Å; E253-K261 PolarHBondContact O-N 2.9Å; K261-L263 HydrophobicContact CD-CD2 3.97Å; K261-L263 HydrophobicContact CG-CD2 4.31Å; K261-L263 PolarHBondContact O-N 3.31Å |
| 262 | E | 77.1 | Confident | 76.4 | Confident | 114 Ų | 114 | 78.2 Ų | 78.2 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 112.9 | 163.8 | -175 | -177.3 | 126.1 | 0 | 0 | 108 | N265 | E262-N265 VanDerWaalsContact OE1-CB 3.3Å; E262-N265 WeakPolarHBondContact OE1-CB 3.44Å; E262-N265 PolarHBondContact OE1-ND2 3.12Å |
| 263 | L | 82.5 | Confident | 76.6 | Confident | 37 Ų | 37 | 80.5 Ų | 80.5 | 19% | 0.194 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -43.9 | 174.8 | -68.8 | 174.8 | 0 | 0 | 0 | 109.9 | L251 E253 K261 S282 | L251-L263 HydrophobicContact CB-CB 4.44Å; L251-L263 HydrophobicContact CD2-CB 4.37Å; L251-L263 HydrophobicContact CD2-CD1 3.56Å; L251-L263 HydrophobicContact CG-CB 4.27Å; L251-L263 HydrophobicContact CG-CD1 3.81Å; L251-L263 WeakPolarHBondContact O-CB 3.49Å; L251-L263 PolarHBondContact O-N 3.3Å; E253-L263 HydrophobicContact CB-CD1 4Å; E253-L263 HydrophobicContact CB-CG 4.21Å; K261-L263 HydrophobicContact CD-CD2 3.97Å; K261-L263 HydrophobicContact CG-CD2 4.31Å; K261-L263 PolarHBondContact O-N 3.31Å; L263-S282 VanDerWaalsContact CD1-CB 3.48Å |
| 264 | F | 84.3 | Confident | 77 | Confident | 8 Ų | 8 | 82.1 Ų | 82.1 | 4% | 0.035 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 154.7 | 170.4 | 53.1 | -99.6 | 0 | 0 | 0 | 111.3 | V249 A250 L251 Y269 L275 A278 V279 | V249-F264 HydrophobicContact CG1-CE2 4.18Å; A250-F264 CarbonylContact C-O 3.51Å; A250-F264 WeakPolarHBondContact CA-O 3.5Å; L251-F264 HydrophobicContact CB-CD1 4.14Å; L251-F264 HydrophobicContact CB-CD2 4.14Å; L251-F264 HydrophobicContact CB-CE1 3.62Å; L251-F264 HydrophobicContact CB-CE2 3.58Å; L251-F264 HydrophobicContact CB-CG 4.38Å; L251-F264 HydrophobicContact CB-CZ 3.3Å; L251-F264 HydrophobicContact CD2-CE1 3.71Å; L251-F264 HydrophobicContact CD2-CZ 3.9Å; L251-F264 HydrophobicContact CG-CE1 4.27Å; L251-F264 HydrophobicContact CG-CZ 4.24Å; L251-F264 PolarHBondContact N-O 2.87Å; L251-F264 PolarHBondContact O-N 3.12Å; F264-Y269 HydrophobicContact CB-CD2 4.14Å; F264-Y269 HydrophobicContact CB-CE2 3.59Å; F264-Y269 HydrophobicContact CD1-CD2 4.41Å; F264-Y269 AromaticContact CD1-CE2 3.79Å; F264-Y269 HydrophobicContact CD1-CE2 3.79Å; F264-Y269 HydrophobicContact CD2-CD2 4.05Å; F264-Y269 HydrophobicContact CD2-CE2 4.17Å; F264-Y269 HydrophobicContact CE1-CE2 4.49Å; F264-Y269 AromaticContact CG-CD2 3.96Å; F264-Y269 HydrophobicContact CG-CD2 3.96Å; F264-Y269 AromaticContact CG-CE2 3.6Å; F264-Y269 HydrophobicContact CG-CE2 3.6Å; F264-L275 HydrophobicContact CD2-CD1 4.09Å; F264-L275 HydrophobicContact CE2-CD1 3.39Å; F264-L275 HydrophobicContact CZ-CD1 3.65Å; F264-A278 HydrophobicContact CD1-CB 4.08Å; F264-A278 HydrophobicContact CE1-CB 3.98Å; F264-V279 HydrophobicContact CE1-CG2 4.09Å; F264-V279 HydrophobicContact CZ-CG2 3.89Å |
| 265 | N | 83.6 | Confident | 77.6 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 33% | 0.326 | 42% | 0.421 | S | S | . | . | trans | -104.5 | 175.3 | 176 | 55.4 | 56.9 | 0 | 0 | 0 | 112.4 | E262 A267 S268 | E262-N265 VanDerWaalsContact OE1-CB 3.3Å; E262-N265 WeakPolarHBondContact OE1-CB 3.44Å; E262-N265 PolarHBondContact OE1-ND2 3.12Å; N265-A267 PolarHBondContact O-N 3.09Å; N265-A267 PolarHBondContact OD1-N 2.95Å; N265-A267 VanDerWaalsContact OD1-N 3.08Å; N265-S268 PolarHBondContact N-OG 3.05Å; N265-S268 VanDerWaalsContact N-OG 3.09Å; N265-S268 VanDerWaalsContact O-CB 3.28Å; N265-S268 WeakPolarHBondContact O-CB 3.47Å; N265-S268 PolarHBondContact O-N 3.32Å; N265-S268 PolarHBondContact O-OG 3.46Å; N265-S268 PolarHBondContact OD1-N 3.28Å; N265-S268 PolarHBondContact OD1-OG 3.12Å | ||
| 266 | F | 79.7 | Confident | 78.6 | Confident | 63 Ų | 63 | 78 Ų | 78 | 28% | 0.276 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.5 | -179.2 | -59.3 | -59 | 0 | 0 | 0 | 115.3 | D211 I212 L213 R248 A250 | D211-F266 HydrophobicContact CB-CD1 4Å; D211-F266 HydrophobicContact CB-CD2 4.49Å; D211-F266 HydrophobicContact CB-CE1 3.69Å; D211-F266 HydrophobicContact CB-CE2 4.2Å; D211-F266 HydrophobicContact CB-CG 4.4Å; D211-F266 HydrophobicContact CB-CZ 3.79Å; I212-F266 WeakPolarHBondContact O-CE1 3.44Å; L213-F266 HydrophobicContact CB-CZ 4.05Å; R248-F266 HydrophobicContact CB-CB 3.98Å; R248-F266 HydrophobicContact CB-CD1 4.1Å; R248-F266 HydrophobicContact CB-CG 4.46Å; A250-F266 HydrophobicContact CB-CD1 3.64Å; A250-F266 HydrophobicContact CB-CD2 4.27Å; A250-F266 HydrophobicContact CB-CE1 3.47Å; A250-F266 VanDerWaalsContact CB-CE1 3.47Å; A250-F266 HydrophobicContact CB-CE2 4.13Å; A250-F266 HydrophobicContact CB-CG 4.04Å; A250-F266 HydrophobicContact CB-CZ 3.74Å |
| 267 | A | 78.3 | Confident | 80 | Confident | 91 Ų | 91 | 79.3 Ų | 79.3 | 75% | 0.752 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N265 | N265-A267 PolarHBondContact O-N 3.09Å; N265-A267 PolarHBondContact OD1-N 2.95Å; N265-A267 VanDerWaalsContact OD1-N 3.08Å |
| 268 | S | 79.9 | Confident | 81.4 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -73.4 | -33.5 | -170 | -60.1 | 0 | 0 | 0 | 0 | 113 | N265 | N265-S268 PolarHBondContact N-OG 3.05Å; N265-S268 VanDerWaalsContact N-OG 3.09Å; N265-S268 VanDerWaalsContact O-CB 3.28Å; N265-S268 WeakPolarHBondContact O-CB 3.47Å; N265-S268 PolarHBondContact O-N 3.32Å; N265-S268 PolarHBondContact O-OG 3.46Å; N265-S268 PolarHBondContact OD1-N 3.28Å; N265-S268 PolarHBondContact OD1-OG 3.12Å |
| 269 | Y | 85.6 | Confident | 82.9 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | trans | -135.3 | 129.4 | -177.8 | -57.4 | -72.5 | 0 | 0 | 0 | 111.6 | F264 L275 A278 | F264-Y269 HydrophobicContact CB-CD2 4.14Å; F264-Y269 HydrophobicContact CB-CE2 3.59Å; F264-Y269 HydrophobicContact CD1-CD2 4.41Å; F264-Y269 AromaticContact CD1-CE2 3.79Å; F264-Y269 HydrophobicContact CD1-CE2 3.79Å; F264-Y269 HydrophobicContact CD2-CD2 4.05Å; F264-Y269 HydrophobicContact CD2-CE2 4.17Å; F264-Y269 HydrophobicContact CE1-CE2 4.49Å; F264-Y269 AromaticContact CG-CD2 3.96Å; F264-Y269 HydrophobicContact CG-CD2 3.96Å; F264-Y269 AromaticContact CG-CE2 3.6Å; F264-Y269 HydrophobicContact CG-CE2 3.6Å; Y269-L275 HydrophobicContact CD2-CD1 3.84Å; Y269-L275 HydrophobicContact CG-CB 4.45Å; Y269-L275 HydrophobicContact CG-CD1 4.27Å; Y269-A278 HydrophobicContact CD2-CB 3.94Å; Y269-A278 HydrophobicContact CE1-CB 3.91Å; Y269-A278 HydrophobicContact CE2-CB 3.24Å; Y269-A278 VanDerWaalsContact OH-CB 3.32Å; Y269-A278 WeakPolarHBondContact OH-CB 3.39Å | ||
| 270 | S | 82.6 | Confident | 84 | Confident | 70 Ų | 70 | 61 Ų | 61 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -106.5 | -4.5 | -178.2 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 271 | D | 84.5 | Confident | 84.4 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 33% | 0.326 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -135.3 | 149.6 | 180 | 71.7 | 91 | 0 | 0 | 0 | 111.5 | A273 S274 L275 | D271-A273 VanDerWaalsContact C-N 3.32Å; D271-A273 PolarHBondContact O-N 2.86Å; D271-A273 PolarHBondContact OD1-N 3.49Å; D271-S274 WeakPolarHBondContact OD1-CB 3.35Å; D271-S274 PolarHBondContact OD1-N 2.98Å; D271-S274 PolarHBondContact OD1-OG 3.04Å; D271-S274 WeakPolarHBondContact OD2-CB 3.39Å; D271-S274 PolarHBondContact OD2-OG 3.05Å; D271-L275 WeakPolarHBondContact O-CB 3.3Å; D271-L275 PolarHBondContact O-N 3.09Å |
| 272 | K | 87.5 | Confident | 83.9 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 30% | 0.3 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | -176.6 | -177.5 | 176.1 | -69.9 | -172.4 | 0 | 113 | I237 N238 L240 I242 L275 L276 | I237-K272 HydrophobicContact CG2-CG 4.25Å; I237-K272 WeakPolarHBondContact O-CE 3.38Å; N238-K272 PolarHBondContact O-NZ 3.39Å; L240-K272 WeakPolarHBondContact O-CE 3.47Å; L240-K272 PolarHBondContact O-NZ 3.24Å; I242-K272 HydrophobicContact CB-CB 4.12Å; I242-K272 HydrophobicContact CG1-CB 4.1Å; I242-K272 HydrophobicContact CG1-CG 4.39Å; K272-L275 PolarHBondContact O-N 3.32Å; K272-L276 HydrophobicContact CG-CD1 3.93Å; K272-L276 HydrophobicContact CG-CG 4.34Å; K272-L276 WeakPolarHBondContact O-CB 3.38Å; K272-L276 WeakPolarHBondContact O-CG 3.48Å; K272-L276 PolarHBondContact O-N 2.83Å |
| 273 | A | 87.9 | Confident | 82.9 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.9 | -44.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D271 L276 N277 | D271-A273 VanDerWaalsContact C-N 3.32Å; D271-A273 PolarHBondContact O-N 2.86Å; D271-A273 PolarHBondContact OD1-N 3.49Å; A273-L276 PolarHBondContact O-N 3.49Å; A273-N277 WeakPolarHBondContact O-CB 3.42Å; A273-N277 PolarHBondContact O-N 3.01Å |
| 274 | S | 89.6 | Confident | 81.3 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 178.1 | -58 | 0 | 0 | 0 | 0 | 111.7 | D271 N277 A278 | D271-S274 WeakPolarHBondContact OD1-CB 3.35Å; D271-S274 PolarHBondContact OD1-N 2.98Å; D271-S274 PolarHBondContact OD1-OG 3.04Å; D271-S274 WeakPolarHBondContact OD2-CB 3.39Å; D271-S274 PolarHBondContact OD2-OG 3.05Å; S274-N277 PolarHBondContact O-N 2.85Å; S274-A278 WeakPolarHBondContact O-CB 3.35Å; S274-A278 PolarHBondContact O-N 2.99Å |
| 275 | L | 89.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 174 | -176.8 | 68.1 | 0 | 0 | 0 | 112.3 | I237 I242 V249 F264 Y269 D271 K272 N277 A278 V279 | I237-L275 HydrophobicContact CD1-CD2 3.94Å; I237-L275 HydrophobicContact CD1-CG 4.02Å; I237-L275 HydrophobicContact CG1-CD2 4.03Å; I237-L275 HydrophobicContact CG2-CD2 3.71Å; I237-L275 HydrophobicContact CG2-CG 4.32Å; I242-L275 HydrophobicContact CD1-CD2 3.77Å; I242-L275 HydrophobicContact CG1-CD2 3.9Å; I242-L275 HydrophobicContact CG2-CD2 4.07Å; V249-L275 HydrophobicContact CB-CD1 4.11Å; V249-L275 HydrophobicContact CB-CD2 3.69Å; V249-L275 HydrophobicContact CG1-CD1 4.41Å; V249-L275 HydrophobicContact CG1-CD2 4.3Å; V249-L275 HydrophobicContact CG2-CD2 3.77Å; F264-L275 HydrophobicContact CD2-CD1 4.09Å; F264-L275 HydrophobicContact CE2-CD1 3.39Å; F264-L275 HydrophobicContact CZ-CD1 3.65Å; Y269-L275 HydrophobicContact CD2-CD1 3.84Å; Y269-L275 HydrophobicContact CG-CB 4.45Å; Y269-L275 HydrophobicContact CG-CD1 4.27Å; D271-L275 WeakPolarHBondContact O-CB 3.3Å; D271-L275 PolarHBondContact O-N 3.09Å; K272-L275 PolarHBondContact O-N 3.32Å; L275-N277 VanDerWaalsContact C-N 3.32Å; L275-N277 PolarHBondContact O-N 2.97Å; L275-A278 WeakPolarHBondContact O-CB 3.47Å; L275-A278 PolarHBondContact O-N 3.26Å; L275-V279 WeakPolarHBondContact O-CG2 3.45Å; L275-V279 PolarHBondContact O-N 3.32Å; L275-V279 VanDerWaalsContact O-N 3.14Å |
| 276 | L | 91.8 | Very high | 77.1 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.2 | -74.5 | 170.6 | 0 | 0 | 0 | 111.8 | K234 I237 N238 K272 A273 A278 V279 D280 | K234-L276 HydrophobicContact CB-CD2 3.9Å; K234-L276 HydrophobicContact CG-CD2 3.94Å; I237-L276 HydrophobicContact CB-CD2 3.97Å; I237-L276 HydrophobicContact CG2-CD2 3.67Å; I237-L276 HydrophobicContact CG2-CG 3.9Å; N238-L276 WeakPolarHBondContact OD1-CD1 3.32Å; K272-L276 HydrophobicContact CG-CD1 3.93Å; K272-L276 HydrophobicContact CG-CG 4.34Å; K272-L276 WeakPolarHBondContact O-CB 3.38Å; K272-L276 WeakPolarHBondContact O-CG 3.48Å; K272-L276 PolarHBondContact O-N 2.83Å; A273-L276 PolarHBondContact O-N 3.49Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 2.88Å; L276-V279 PolarHBondContact O-N 3.08Å; L276-D280 PolarHBondContact O-N 3.36Å; L276-D280 VanDerWaalsContact O-N 3.15Å |
| 277 | N | 90 | Very high | 75.2 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 175.3 | -173.8 | 72.3 | 0 | 0 | 0 | 111.9 | A273 S274 L275 V279 D280 T281 | A273-N277 WeakPolarHBondContact O-CB 3.42Å; A273-N277 PolarHBondContact O-N 3.01Å; S274-N277 PolarHBondContact O-N 2.85Å; L275-N277 VanDerWaalsContact C-N 3.32Å; L275-N277 PolarHBondContact O-N 2.97Å; N277-V279 VanDerWaalsContact C-N 3.35Å; N277-V279 PolarHBondContact O-N 3.11Å; N277-D280 PolarHBondContact O-N 3.48Å; N277-T281 WeakPolarHBondContact O-CG2 3.41Å; N277-T281 PolarHBondContact O-N 3.46Å; N277-T281 PolarHBondContact O-OG1 3.18Å |
| 278 | A | 88.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 3% | 0.033 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F264 Y269 S274 L275 L276 D280 T281 S282 | F264-A278 HydrophobicContact CD1-CB 4.08Å; F264-A278 HydrophobicContact CE1-CB 3.98Å; Y269-A278 HydrophobicContact CD2-CB 3.94Å; Y269-A278 HydrophobicContact CE1-CB 3.91Å; Y269-A278 HydrophobicContact CE2-CB 3.24Å; Y269-A278 VanDerWaalsContact OH-CB 3.32Å; Y269-A278 WeakPolarHBondContact OH-CB 3.39Å; S274-A278 WeakPolarHBondContact O-CB 3.35Å; S274-A278 PolarHBondContact O-N 2.99Å; L275-A278 WeakPolarHBondContact O-CB 3.47Å; L275-A278 PolarHBondContact O-N 3.26Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 2.88Å; A278-D280 VanDerWaalsContact C-N 3.33Å; A278-T281 WeakPolarHBondContact CA-OG1 3.34Å; A278-T281 PolarHBondContact O-N 3.48Å; A278-T281 PolarHBondContact O-OG1 3.21Å; A278-S282 PolarHBondContact O-N 3.08Å |
| 279 | V | 88.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 111 | K230 V233 K234 I237 L251 F264 L275 L276 N277 S282 | K230-V279 HydrophobicContact CB-CG1 4.16Å; K230-V279 WeakPolarHBondContact CD-O 3.49Å; K230-V279 HydrophobicContact CG-CG1 4.37Å; V233-V279 HydrophobicContact CB-CG1 4.38Å; V233-V279 HydrophobicContact CG1-CG1 4.25Å; V233-V279 HydrophobicContact CG1-CG2 4.07Å; K234-V279 HydrophobicContact CD-CG1 4.33Å; K234-V279 HydrophobicContact CG-CB 4.2Å; K234-V279 HydrophobicContact CG-CG1 3.81Å; I237-V279 HydrophobicContact CD1-CG2 3.81Å; L251-V279 HydrophobicContact CD2-CG2 4.42Å; F264-V279 HydrophobicContact CE1-CG2 4.09Å; F264-V279 HydrophobicContact CZ-CG2 3.89Å; L275-V279 WeakPolarHBondContact O-CG2 3.45Å; L275-V279 PolarHBondContact O-N 3.32Å; L275-V279 VanDerWaalsContact O-N 3.14Å; L276-V279 PolarHBondContact O-N 3.08Å; N277-V279 VanDerWaalsContact C-N 3.35Å; N277-V279 PolarHBondContact O-N 3.11Å; V279-S282 PolarHBondContact O-N 3.39Å; V279-S282 PolarHBondContact O-OG 3.23Å |
| 280 | D | 84.8 | Confident | 68.3 | Low | 70 Ų | 70 | 83.1 Ų | 83.1 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 175 | -76.9 | -28.9 | 0 | 0 | 0 | 112.3 | K234 L276 N277 A278 S282 | K234-D280 WeakPolarHBondContact CD-OD1 3.48Å; K234-D280 WeakPolarHBondContact CE-OD1 3.28Å; K234-D280 IonicContact NZ-OD1 2.84Å; K234-D280 PolarHBondContact NZ-OD1 2.86Å; K234-D280 IonicContact NZ-OD2 3.86Å; K234-D280 PolarHBondContact NZ-OD2 3.04Å; L276-D280 PolarHBondContact O-N 3.36Å; L276-D280 VanDerWaalsContact O-N 3.15Å; N277-D280 PolarHBondContact O-N 3.48Å; A278-D280 VanDerWaalsContact C-N 3.33Å; D280-S282 VanDerWaalsContact C-N 3.35Å; D280-S282 PolarHBondContact O-N 2.85Å |
| 281 | T | 78.4 | Confident | 65.5 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -82.1 | -3.1 | -179.3 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | N277 A278 Y283 | N277-T281 WeakPolarHBondContact O-CG2 3.41Å; N277-T281 PolarHBondContact O-N 3.46Å; N277-T281 PolarHBondContact O-OG1 3.18Å; A278-T281 WeakPolarHBondContact CA-OG1 3.34Å; A278-T281 PolarHBondContact O-N 3.48Å; A278-T281 PolarHBondContact O-OG1 3.21Å; T281-Y283 VanDerWaalsContact C-N 3.3Å; T281-Y283 PolarHBondContact O-N 3.32Å |
| 282 | S | 67.3 | Low | 62.8 | Low | 8 Ų | 8 | 89.1 Ų | 89.1 | 6% | 0.056 | 46% | 0.457 | C | S | . | . | trans | -64.1 | 97.5 | 174 | 64.5 | 0 | 0 | 0 | 0 | 108.7 | K230 L263 A278 V279 D280 E284 | K230-S282 WeakPolarHBondContact CD-OG 3.33Å; L263-S282 VanDerWaalsContact CD1-CB 3.48Å; A278-S282 PolarHBondContact O-N 3.08Å; V279-S282 PolarHBondContact O-N 3.39Å; V279-S282 PolarHBondContact O-OG 3.23Å; D280-S282 VanDerWaalsContact C-N 3.35Å; D280-S282 PolarHBondContact O-N 2.85Å; S282-E284 PolarHBondContact O-N 3.16Å | ||
| 283 | Y | 55.5 | Low | 60 | Low | 150 Ų | 150 | 93 Ų | 93 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | trans | -67.4 | 119.7 | -175.9 | -177.1 | -109.9 | 0 | 0 | 0 | 109.7 | T281 P285 P286 | T281-Y283 VanDerWaalsContact C-N 3.3Å; T281-Y283 PolarHBondContact O-N 3.32Å; Y283-P285 WeakPolarHBondContact O-CD 3.33Å; Y283-P286 HydrophobicContact CE1-CG 4.27Å; Y283-P286 WeakPolarHBondContact OH-CG 3.44Å | ||
| 284 | E | 50.1 | Low | 57 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | trans | -57.7 | 115.7 | 159.5 | -173.1 | 166.5 | -155.5 | 0 | 0 | 106.3 | S282 | S282-E284 PolarHBondContact O-N 3.16Š| ||
| 285 | P | 41.3 | Very low | 54.2 | Low | 66 Ų | 66 | 102.6 Ų | 102.6 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | trans | -54.6 | 142.9 | 173.3 | 22.4 | -29.1 | 0 | 0 | 0 | 107.8 | Y283 E287 | Y283-P285 WeakPolarHBondContact O-CD 3.33Å; P285-E287 PolarHBondContact O-N 3.33Å | ||
| 286 | P | 37.7 | Very low | 51.2 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | trans | -55.7 | 136.4 | 178.5 | -1 | 15.9 | 0 | 0 | 0 | 106.8 | Y283 E288 | Y283-P286 HydrophobicContact CE1-CG 4.27Å; Y283-P286 WeakPolarHBondContact OH-CG 3.44Å; P286-E288 PolarHBondContact O-N 3.33Å | ||
| 287 | E | 39.1 | Very low | 48.2 | Very low | 177 Ų | 177 | 112.5 Ų | 112.5 | 83% | 0.827 | 56% | 0.56 | S | S | * | * | trans | -48.3 | 100.6 | 159.3 | -68.1 | -179.2 | 166.1 | 0 | 0 | 105.6 | P285 E289 | P285-E287 PolarHBondContact O-N 3.33Å; E287-E289 VanDerWaalsContact C-N 3.31Å; E287-E289 PolarHBondContact O-N 3.34Å | ||
| 288 | E | 37 | Very low | 45.4 | Very low | 173 Ų | 173 | 110 Ų | 110 | 81% | 0.808 | 56% | 0.557 | S | S | * | * | trans | -55.1 | 116.1 | 154.8 | -91.1 | -174.4 | 170.5 | 0 | 0 | 102.9 | P286 Y290 | P286-E288 PolarHBondContact O-N 3.33Å; E288-Y290 PolarHBondContact O-N 3.1Å | ||
| 289 | E | 26.8 | Very low | 43.2 | Very low | 184 Ų | 184 | 113.4 Ų | 113.4 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | trans | -44.2 | 91.4 | 179.5 | -158.2 | 171.4 | -151.8 | 0 | 0 | 106.8 | E287 E291 | E287-E289 VanDerWaalsContact C-N 3.31Å; E287-E289 PolarHBondContact O-N 3.34Å; E289-E291 PolarHBondContact O-N 2.87Å | ||
| 290 | Y | 34.9 | Very low | 41 | Very low | 180 Ų | 180 | 119.8 Ų | 119.8 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | -68.9 | 93 | 170.4 | -176.9 | -94.2 | 0 | 0 | 0 | 100.8 | E288 P292 | E288-Y290 PolarHBondContact O-N 3.1Å; Y290-P292 VanDerWaalsContact C-N 3.32Å; Y290-P292 WeakPolarHBondContact O-CD 3.48Å | ||
| 291 | E | 24.7 | Very low | 39.3 | Very low | 163 Ų | 163 | 117.7 Ų | 117.7 | 76% | 0.762 | 60% | 0.597 | S | S | * | * | trans | -46.6 | 112.2 | 162.8 | -92.7 | -163.8 | 159.1 | 0 | 0 | 103.4 | E289 E293 | E289-E291 PolarHBondContact O-N 2.87Å; E291-E293 PolarHBondContact O-N 2.89Å | ||
| 292 | P | 28.3 | Very low | 38.1 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | trans | -61.4 | 106.9 | 176.8 | 23.7 | -28.3 | 0 | 0 | 0 | 102.6 | Y290 K294 | Y290-P292 VanDerWaalsContact C-N 3.32Å; Y290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-K294 PolarHBondContact O-N 2.88Å | ||
| 293 | E | 27.7 | Very low | 37.3 | Very low | 151 Ų | 151 | 124 Ų | 124 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -43.2 | 111.1 | 157.4 | -92.6 | -168.9 | 155.9 | 0 | 0 | 102.7 | E291 V295 | E291-E293 PolarHBondContact O-N 2.89Å; E293-V295 PolarHBondContact O-N 3.09Å | ||
| 294 | K | 25.1 | Very low | 37.2 | Very low | 192 Ų | 192 | 122.4 Ų | 122.4 | 84% | 0.835 | 63% | 0.629 | S | S | * | * | trans | -34.6 | 117.1 | -172.8 | -73.6 | 174.5 | 175.5 | 176 | 0 | 105.3 | P292 A296 | P292-K294 PolarHBondContact O-N 2.88Å; K294-A296 VanDerWaalsContact O-CA 3.23Å; K294-A296 WeakPolarHBondContact O-CA 3.4Å; K294-A296 PolarHBondContact O-N 3.18Å | ||
| 295 | V | 31.3 | Very low | 37 | Very low | 132 Ų | 132 | 119.9 Ų | 119.9 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | trans | -41.2 | 101.8 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 104.1 | E293 E297 | E293-V295 PolarHBondContact O-N 3.09Å; V295-E297 VanDerWaalsContact C-N 3.32Å; V295-E297 PolarHBondContact O-N 2.93Å | ||
| 296 | A | 26.9 | Very low | 37.6 | Very low | 35 Ų | 35 | 118.8 Ų | 118.8 | 29% | 0.289 | 62% | 0.618 | S | S | . | * | trans | -69.6 | 113.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 100.5 | K294 G298 E300 | K294-A296 VanDerWaalsContact O-CA 3.23Å; K294-A296 WeakPolarHBondContact O-CA 3.4Å; K294-A296 PolarHBondContact O-N 3.18Å; A296-G298 PolarHBondContact O-N 3.5Å; A296-E300 HydrophobicContact CB-CG 4.19Å | ||
| 297 | E | 27.6 | Very low | 38 | Very low | 205 Ų | 205 | 119 Ų | 119 | 96% | 0.958 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -59 | 6.9 | 154.3 | -70.4 | -177.6 | 150.5 | 0 | 0 | 110.6 | V295 | V295-E297 VanDerWaalsContact C-N 3.32Å; V295-E297 PolarHBondContact O-N 2.93Å |
| 298 | G | 32.3 | Very low | 38.3 | Very low | 44 Ų | 44 | 114.5 Ų | 114.5 | 45% | 0.454 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -71.2 | 156.3 | 162 | 0 | 0 | 0 | 0 | 0 | 112.7 | A296 E300 | A296-G298 PolarHBondContact O-N 3.5Å; G298-E300 PolarHBondContact O-N 3.05Å |
| 299 | N | 42 | Very low | 38.4 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 41% | 0.412 | 58% | 0.584 | S | S | . | * | trans | -63.7 | 33.1 | 178.5 | -74.8 | -32.1 | 0 | 0 | 0 | 114.2 | A301 P382 R393 | N299-A301 PolarHBondContact O-N 3.45Å; N299-P382 HydrophobicContact CB-CG 4.48Å; N299-R393 PolarHBondContact O-NH1 2.87Å; N299-R393 PolarHBondContact O-NH2 3.47Å | ||
| 300 | E | 42.5 | Very low | 39.1 | Very low | 133 Ų | 133 | 107.3 Ų | 107.3 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.9 | -173.8 | -73.6 | -176.7 | 172.3 | 0 | 0 | 111.9 | A296 G298 | A296-E300 HydrophobicContact CB-CG 4.19Å; G298-E300 PolarHBondContact O-N 3.05Å |
| 301 | A | 48.2 | Very low | 39 | Very low | 26 Ų | 26 | 101.3 Ų | 101.3 | 22% | 0.215 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -93.6 | 131.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109 | N299 Q380 | N299-A301 PolarHBondContact O-N 3.45Å; A301-Q380 WeakPolarHBondContact CA-O 3.12Å; A301-Q380 WeakPolarHBondContact CB-O 3.45Å |
| 302 | Q | 54.2 | Low | 39.2 | Very low | 153 Ų | 153 | 99.7 Ų | 99.7 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85 | 125.6 | 171.1 | -69.4 | 179.4 | -15.9 | 0 | 0 | 108.6 | A379 Q380 | Q302-A379 CarbonylContact O-C 3.59Å; Q302-A379 WeakPolarHBondContact O-CA 3.29Å; Q302-Q380 PolarHBondContact N-O 3.14Å; Q302-Q380 PolarHBondContact O-N 2.77Å |
| 303 | S | 50.4 | Low | 39.5 | Very low | 75 Ų | 75 | 101.6 Ų | 101.6 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.8 | 179.5 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | V378 | S303-V378 CarbonylContact C-O 3.56Å; S303-V378 VanDerWaalsContact CA-O 3.22Å; S303-V378 WeakPolarHBondContact CA-O 3.42Å |
| 304 | L | 52.7 | Low | 39.9 | Very low | 116 Ų | 116 | 98.2 Ų | 98.2 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.8 | 174.6 | 178.8 | 67 | 0 | 0 | 0 | 109 | V306 V378 | L304-V306 HydrophobicContact CD2-CG2 4.18Å; L304-V306 HydrophobicContact CG-CG2 4.15Å; L304-V378 PolarHBondContact N-O 2.88Å; L304-V378 PolarHBondContact O-N 3.29Å |
| 305 | A | 47.2 | Very low | 40.7 | Very low | 51 Ų | 51 | 95.9 Ų | 95.9 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 306 | V | 52.9 | Low | 41.4 | Very low | 43 Ų | 43 | 97.4 Ų | 97.4 | 26% | 0.261 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.2 | 178.7 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | L304 L368 V376 | L304-V306 HydrophobicContact CD2-CG2 4.18Å; L304-V306 HydrophobicContact CG-CG2 4.15Å; V306-L368 HydrophobicContact CG1-CD1 3.81Å; V306-L368 HydrophobicContact CG1-CD2 4.39Å; V306-V376 PolarHBondContact N-O 3.47Å; V306-V376 PolarHBondContact O-N 2.82Å; V306-V376 VanDerWaalsContact O-O 3.12Å |
| 307 | H | 46.7 | Very low | 42.2 | Very low | 96 Ų | 96 | 100.1 Ų | 100.1 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.6 | -177.1 | -63.9 | -106.5 | 0 | 0 | 0 | 110.7 | V309 Q375 | H307-V309 PolarHBondContact O-N 3.15Å; H307-Q375 VanDerWaalsContact CE1-CG 3.46Å; H307-Q375 WeakPolarHBondContact CE1-CG 3.22Å; H307-Q375 PolarHBondContact CE1-NE2 2.88Å; H307-Q375 PolarHBondContact CE1-OE1 3.14Å |
| 308 | K | 44.7 | Very low | 42.7 | Very low | 81 Ų | 81 | 94.1 Ų | 94.1 | 35% | 0.352 | 53% | 0.531 | S | S | . | . | trans | -76.3 | 103.9 | 163.2 | -172.5 | 177.3 | -173.6 | 161.5 | 0 | 108.2 | L368 G370 V374 | K308-L368 HydrophobicContact CB-CD2 4.08Å; K308-L368 WeakPolarHBondContact CD-O 3.37Å; K308-L368 VanDerWaalsContact CE-O 3.28Å; K308-L368 WeakPolarHBondContact CE-O 3.27Å; K308-L368 PolarHBondContact NZ-O 2.74Å; K308-G370 PolarHBondContact NZ-O 2.9Å; K308-V374 PolarHBondContact N-O 3.39Å | ||
| 309 | V | 40.3 | Very low | 42.9 | Very low | 117 Ų | 117 | 97.9 Ų | 97.9 | 71% | 0.709 | 54% | 0.537 | S | S | * | . | trans | -85.3 | 126.3 | 172.5 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | H307 A311 | H307-V309 PolarHBondContact O-N 3.15Å; V309-A311 PolarHBondContact O-N 2.66Å; V309-A311 VanDerWaalsContact O-N 3.11Å | ||
| 310 | A | 40 | Very low | 42.7 | Very low | 89 Ų | 89 | 102.5 Ų | 102.5 | 74% | 0.736 | 55% | 0.554 | S | S | * | * | trans | -61.5 | 115.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 311 | A | 33.2 | Very low | 42.4 | Very low | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | trans | -52.4 | 136.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V309 F313 | V309-A311 PolarHBondContact O-N 2.66Å; V309-A311 VanDerWaalsContact O-N 3.11Å; A311-F313 HydrophobicContact CB-CD2 3.62Å; A311-F313 HydrophobicContact CB-CE2 3.6Å; A311-F313 PolarHBondContact O-N 2.78Å | ||
| 312 | P | 29.8 | Very low | 41.7 | Very low | 128 Ų | 128 | 111.2 Ų | 111.2 | 83% | 0.831 | 58% | 0.578 | S | S | * | * | trans | -77 | 69.7 | -176.6 | 32.4 | -34.4 | 0 | 0 | 0 | 109.9 | ||||
| 313 | F | 34.4 | Very low | 40.6 | Very low | 135 Ų | 135 | 113.2 Ų | 113.2 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | trans | -93.5 | 139.1 | 168.2 | -71.6 | -74.3 | 0 | 0 | 0 | 110 | A311 K315 L318 | A311-F313 HydrophobicContact CB-CD2 3.62Å; A311-F313 HydrophobicContact CB-CE2 3.6Å; A311-F313 PolarHBondContact O-N 2.78Å; F313-K315 PolarHBondContact O-N 2.88Å; F313-L318 HydrophobicContact CB-CD1 4.07Å; F313-L318 HydrophobicContact CB-CG 4.47Å | ||
| 314 | P | 36.3 | Very low | 39.8 | Very low | 80 Ų | 80 | 113.3 Ų | 113.3 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | trans | -53.9 | 135.6 | 167.7 | -21.6 | 32.4 | 0 | 0 | 0 | 110.2 | E316 D317 | P314-E316 PolarHBondContact O-N 3.41Å; P314-D317 PolarHBondContact O-N 3.02Å; P314-D317 VanDerWaalsContact O-N 3.08Å | ||
| 315 | K | 41.2 | Very low | 38.9 | Very low | 143 Ų | 143 | 111.1 Ų | 111.1 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -52.4 | -27.1 | -171.6 | -146 | 179.6 | -179.5 | -167.9 | 0 | 114.2 | F313 | F313-K315 PolarHBondContact O-N 2.88Å |
| 316 | E | 46.2 | Very low | 38.2 | Very low | 163 Ų | 163 | 113 Ų | 113 | 76% | 0.762 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.7 | -30.2 | -176.5 | -68.8 | 153.4 | -160.8 | 0 | 0 | 113.1 | P314 | P314-E316 PolarHBondContact O-N 3.41Å |
| 317 | D | 43 | Very low | 37.2 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 49% | 0.492 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -82.1 | -27.6 | 179.2 | -72.1 | -38.7 | 0 | 0 | 0 | 112.3 | P314 K320 | P314-D317 PolarHBondContact O-N 3.02Å; P314-D317 VanDerWaalsContact O-N 3.08Å; D317-K320 PolarHBondContact O-N 3.18Å |
| 318 | L | 37.6 | Very low | 36.5 | Very low | 79 Ų | 79 | 115.6 Ų | 115.6 | 41% | 0.414 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68 | -34.8 | 177.9 | -93.1 | 148.7 | 0 | 0 | 0 | 113 | F313 K320 Y321 Y322 | F313-L318 HydrophobicContact CB-CD1 4.07Å; F313-L318 HydrophobicContact CB-CG 4.47Å; L318-K320 PolarHBondContact O-N 3.3Å; L318-Y321 PolarHBondContact O-N 3.28Å; L318-Y322 HydrophobicContact CD2-CD2 4.37Å; L318-Y322 PolarHBondContact O-N 3.44Å |
| 319 | E | 37 | Very low | 36 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 58% | 0.575 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.9 | -24.5 | 178.8 | -72.3 | -177.2 | 171.9 | 0 | 0 | 112.5 | T326 | E319-T326 HydrophobicContact CG-CG2 4.2Å |
| 320 | K | 38.3 | Very low | 35.7 | Very low | 174 Ų | 174 | 113.4 Ų | 113.4 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.5 | -26.2 | -176.9 | -149.2 | 179 | -173.8 | -179.3 | 0 | 113.7 | D317 L318 | D317-K320 PolarHBondContact O-N 3.18Å; L318-K320 PolarHBondContact O-N 3.3Å |
| 321 | Y | 37.2 | Very low | 35.6 | Very low | 198 Ų | 198 | 110.8 Ų | 110.8 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -96.5 | -19.4 | -176.8 | -82.2 | -85.3 | 0 | 0 | 0 | 113.7 | L318 | L318-Y321 PolarHBondContact O-N 3.28Å |
| 322 | Y | 33.3 | Very low | 35.9 | Very low | 145 Ų | 145 | 113 Ų | 113 | 57% | 0.569 | 62% | 0.618 | S | S | * | * | trans | -127.6 | 66.3 | -176.3 | -67.8 | -80.9 | 0 | 0 | 0 | 111.4 | L318 G324 A325 | L318-Y322 HydrophobicContact CD2-CD2 4.37Å; L318-Y322 PolarHBondContact O-N 3.44Å; Y322-G324 VanDerWaalsContact C-N 3.32Å; Y322-G324 PolarHBondContact O-N 2.97Å; Y322-A325 HydrophobicContact CD1-CB 4.39Å; Y322-A325 PolarHBondContact O-N 3.42Å | ||
| 323 | E | 29.7 | Very low | 36.4 | Very low | 194 Ų | 194 | 114.3 Ų | 114.3 | 91% | 0.907 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 95.5 | 161.5 | -74.7 | -173.4 | 165.4 | 0 | 0 | 108.8 | ||
| 324 | G | 34.1 | Very low | 36.9 | Very low | 78 Ų | 78 | 112.4 Ų | 112.4 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.8 | -11.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y322 | Y322-G324 VanDerWaalsContact C-N 3.32Å; Y322-G324 PolarHBondContact O-N 2.97Å |
| 325 | A | 34.2 | Very low | 37.5 | Very low | 70 Ų | 70 | 110.6 Ų | 110.6 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | trans | -113.9 | 14.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y322 G327 | Y322-A325 HydrophobicContact CD1-CB 4.39Å; Y322-A325 PolarHBondContact O-N 3.42Å; A325-G327 PolarHBondContact O-N 2.85Å | ||
| 326 | T | 32.6 | Very low | 38 | Very low | 91 Ų | 91 | 105.1 Ų | 105.1 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | trans | -83.1 | 15.6 | 176 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | E319 K328 | E319-T326 HydrophobicContact CG-CG2 4.2Å; T326-K328 PolarHBondContact O-N 3.22Å | ||
| 327 | G | 31.4 | Very low | 38.5 | Very low | 65 Ų | 65 | 99.1 Ų | 99.1 | 67% | 0.67 | 56% | 0.557 | S | S | * | * | trans | -64.8 | 94.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | A325 G329 | A325-G327 PolarHBondContact O-N 2.85Å; G327-G329 PolarHBondContact O-N 3.35Å | ||
| 328 | K | 32.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 95.6 Ų | 95.6 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | trans | -47.6 | 97.1 | 147.9 | -93.9 | -173 | 168.8 | -168 | 0 | 104.6 | T326 S330 E333 | T326-K328 PolarHBondContact O-N 3.22Å; K328-S330 PolarHBondContact O-N 3.45Å; K328-E333 IonicContact NZ-OE1 3.72Å; K328-E333 PolarHBondContact NZ-OE1 2.79Å | ||
| 329 | G | 34 | Very low | 41.4 | Very low | 46 Ų | 46 | 92.7 Ų | 92.7 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | trans | -52.8 | 135 | 169.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | G327 C331 D332 | G327-G329 PolarHBondContact O-N 3.35Å; G329-C331 PolarHBondContact O-N 3.08Å; G329-D332 PolarHBondContact O-N 3.25Å | ||
| 330 | S | 34.3 | Very low | 43.6 | Very low | 106 Ų | 106 | 87.2 Ų | 87.2 | 74% | 0.741 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 6.4 | 179 | 177.3 | 0 | 0 | 0 | 0 | 114.4 | K328 T334 | K328-S330 PolarHBondContact O-N 3.45Å; S330-T334 PolarHBondContact O-OG1 3.43Å; S330-T334 VanDerWaalsContact O-OG1 3.11Å |
| 331 | C | 38.4 | Very low | 45.7 | Very low | 35 Ų | 35 | 78.9 Ų | 78.9 | 24% | 0.236 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -24.8 | -174.4 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | G329 E333 N335 G336 C486 | G329-C331 PolarHBondContact O-N 3.08Å; C331-E333 PolarHBondContact O-N 3.31Å; C331-N335 PolarHBondContact O-N 2.85Å; C331-N335 VanDerWaalsContact O-N 3.08Å; C331-G336 PolarHBondContact O-N 2.97Å; C331-C486 HydrophobicContact CB-CB 4.24Å |
| 332 | D | 39.5 | Very low | 48.1 | Very low | 102 Ų | 102 | 69.5 Ų | 69.5 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -27.3 | -175 | -102.6 | -5.3 | 0 | 0 | 0 | 113.8 | G329 N373 | G329-D332 PolarHBondContact O-N 3.25Å; D332-N373 PolarHBondContact OD1-ND2 3.29Å |
| 333 | E | 39.7 | Very low | 50.7 | Low | 155 Ų | 155 | 62.7 Ų | 62.7 | 72% | 0.724 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -23 | -177.5 | -73.3 | 179.2 | -169.8 | 0 | 0 | 113.8 | K328 C331 | K328-E333 IonicContact NZ-OE1 3.72Å; K328-E333 PolarHBondContact NZ-OE1 2.79Å; C331-E333 PolarHBondContact O-N 3.31Å |
| 334 | T | 45 | Very low | 53.3 | Low | 95 Ų | 95 | 54.1 Ų | 54.1 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -31.4 | -172.4 | 55 | 0 | 0 | 0 | 0 | 114.2 | S330 | S330-T334 PolarHBondContact O-OG1 3.43Å; S330-T334 VanDerWaalsContact O-OG1 3.11Å |
| 335 | N | 49.5 | Very low | 55.6 | Low | 41 Ų | 41 | 50.4 Ų | 50.4 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -5.8 | -161 | -74.2 | -17.5 | 0 | 0 | 0 | 115.6 | C331 K413 | C331-N335 PolarHBondContact O-N 2.85Å; C331-N335 VanDerWaalsContact O-N 3.08Å; N335-K413 WeakPolarHBondContact O-CE 3.32Å; N335-K413 PolarHBondContact O-NZ 2.9Å |
| 336 | G | 51.6 | Low | 57.6 | Low | 28 Ų | 28 | 48.5 Ų | 48.5 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | trans | 56.9 | -176.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C331 | C331-G336 PolarHBondContact O-N 2.97Š| ||
| 337 | P | 55.6 | Low | 59.4 | Low | 37 Ų | 37 | 46.4 Ų | 46.4 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 154.2 | -176.6 | 27.8 | -33.9 | 0 | 0 | 0 | 112.7 | N373 Q375 | P337-N373 CarbonylContact C-O 3.49Å; P337-N373 VanDerWaalsContact CA-O 3.22Å; P337-N373 WeakPolarHBondContact CA-O 3.41Å; P337-N373 WeakPolarHBondContact CB-O 3.34Å; P337-Q375 HydrophobicContact CB-CB 4.36Å; P337-Q375 HydrophobicContact CG-CB 4.16Å |
| 338 | S | 67.5 | Low | 61.1 | Low | 19 Ų | 19 | 48.9 Ų | 48.9 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.8 | 165.9 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | N373 V374 Q375 | S338-N373 PolarHBondContact N-O 2.78Å; S338-V374 CarbonylContact O-C 3.53Å; S338-V374 VanDerWaalsContact O-CA 3.27Å; S338-V374 WeakPolarHBondContact O-CA 3.38Å; S338-V374 WeakPolarHBondContact O-CG2 3.3Å; S338-Q375 PolarHBondContact O-N 3.44Å |
| 339 | N | 73.8 | Confident | 62.1 | Low | 18 Ų | 18 | 46.6 Ų | 46.6 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124 | -178 | -69.9 | -33.6 | 0 | 0 | 0 | 110.9 | Q375 C401 I403 A415 S416 | N339-Q375 WeakPolarHBondContact OD1-CB 3.46Å; N339-Q375 PolarHBondContact OD1-OE1 3.38Å; N339-C401 PolarHBondContact ND2-O 2.82Å; N339-I403 HydrophobicContact CB-CD1 4.01Å; N339-I403 HydrophobicContact CB-CG1 4.18Å; N339-I403 VanDerWaalsContact ND2-CG1 3.35Å; N339-I403 WeakPolarHBondContact ND2-CG1 3.28Å; N339-A415 HydrophobicContact CB-CB 3.94Å; N339-A415 WeakPolarHBondContact O-CA 3.4Å; N339-A415 WeakPolarHBondContact O-CB 3.41Å; N339-S416 PolarHBondContact O-N 2.94Å |
| 340 | V | 82.8 | Confident | 62.9 | Low | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.2 | 173.2 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | I342 L367 V374 Q375 V376 T377 S416 V418 | V340-I342 HydrophobicContact CG1-CG1 4.26Å; V340-L367 HydrophobicContact CB-CD1 4.13Å; V340-L367 HydrophobicContact CG1-CD1 3.88Å; V340-L367 HydrophobicContact CG2-CD1 4.2Å; V340-L367 HydrophobicContact CG2-CD2 4.21Å; V340-V374 HydrophobicContact CG2-CG2 3.87Å; V340-Q375 PolarHBondContact N-O 3.04Å; V340-V376 CarbonylContact O-C 3.6Å; V340-V376 VanDerWaalsContact O-CA 3.3Å; V340-V376 WeakPolarHBondContact O-CA 3.39Å; V340-T377 PolarHBondContact O-N 2.93Å; V340-S416 CarbonylContact C-O 3.57Å; V340-S416 WeakPolarHBondContact CA-O 3.16Å; V340-V418 HydrophobicContact CG1-CG2 4.16Å |
| 341 | I | 84.2 | Confident | 63.6 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 119.6 | 175.5 | -57.2 | 168.7 | 0 | 0 | 0 | 107.9 | L343 T377 Y397 I403 S416 V417 V418 | I341-L343 HydrophobicContact CG2-CD2 4.1Å; I341-L343 HydrophobicContact CG2-CG 4.27Å; I341-T377 CarbonylContact C-O 3.6Å; I341-T377 VanDerWaalsContact CA-O 3.3Å; I341-T377 WeakPolarHBondContact CA-O 3.46Å; I341-Y397 HydrophobicContact CG2-CD2 4.47Å; I341-I403 HydrophobicContact CD1-CD1 4.26Å; I341-S416 PolarHBondContact N-O 3.11Å; I341-V417 HydrophobicContact CB-CG2 4.35Å; I341-V417 HydrophobicContact CD1-CG2 4.42Å; I341-V417 CarbonylContact O-C 3.49Å; I341-V417 VanDerWaalsContact O-CA 3.32Å; I341-V417 WeakPolarHBondContact O-CA 3.46Å; I341-V418 PolarHBondContact O-N 3.49Å |
| 342 | I | 87.4 | Confident | 64.8 | Low | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.8 | 175.7 | -59.8 | 176.3 | 0 | 0 | 0 | 108.3 | V340 A360 L363 I364 V376 T377 V378 A379 V418 I420 | V340-I342 HydrophobicContact CG1-CG1 4.26Å; I342-A360 HydrophobicContact CG2-CB 4.15Å; I342-L363 HydrophobicContact CD1-CD2 3.91Å; I342-L363 HydrophobicContact CD1-CG 4.22Å; I342-L363 HydrophobicContact CG1-CD2 4.26Å; I342-I364 HydrophobicContact CD1-CD1 4.29Å; I342-I364 HydrophobicContact CD1-CG1 3.56Å; I342-V376 HydrophobicContact CD1-CG1 3.63Å; I342-V376 HydrophobicContact CG1-CG1 4.1Å; I342-T377 PolarHBondContact N-O 3.03Å; I342-V378 HydrophobicContact CB-CG1 4.49Å; I342-V378 HydrophobicContact CB-CG2 4.43Å; I342-V378 HydrophobicContact CG2-CG1 4.49Å; I342-V378 CarbonylContact O-C 3.59Å; I342-V378 WeakPolarHBondContact O-CA 3.42Å; I342-A379 PolarHBondContact O-N 2.85Å; I342-V418 CarbonylContact C-O 3.55Å; I342-V418 WeakPolarHBondContact CA-O 3.38Å; I342-V418 HydrophobicContact CG1-CB 4.45Å; I342-I420 HydrophobicContact CG2-CD1 3.67Å; I342-I420 HydrophobicContact CG2-CG1 4.01Å |
| 343 | L | 86.3 | Confident | 66.1 | Low | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 112.3 | 175.1 | -65.2 | -176.4 | 0 | 0 | 0 | 110.1 | I341 A379 L394 Y397 V417 V418 Y419 I420 | I341-L343 HydrophobicContact CG2-CD2 4.1Å; I341-L343 HydrophobicContact CG2-CG 4.27Å; L343-A379 CarbonylContact C-O 3.46Å; L343-A379 WeakPolarHBondContact CA-O 3.46Å; L343-A379 HydrophobicContact CD2-CB 3.84Å; L343-L394 HydrophobicContact CD1-CD2 3.65Å; L343-L394 HydrophobicContact CD1-CG 4.17Å; L343-Y397 HydrophobicContact CD2-CD2 4.22Å; L343-Y397 HydrophobicContact CD2-CE2 3.85Å; L343-V417 HydrophobicContact CD1-CG1 4.19Å; L343-V417 HydrophobicContact CG-CG1 4.44Å; L343-V418 PolarHBondContact N-O 3.24Å; L343-Y419 HydrophobicContact CB-CD1 3.81Å; L343-Y419 HydrophobicContact CB-CE1 4.19Å; L343-Y419 HydrophobicContact CD1-CD1 3.82Å; L343-Y419 HydrophobicContact CD1-CE1 3.3Å; L343-Y419 HydrophobicContact CG-CD1 4.4Å; L343-Y419 HydrophobicContact CG-CE1 4.33Å; L343-I420 PolarHBondContact O-N 3.13Å |
| 344 | L | 84.9 | Confident | 67.3 | Low | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.6 | 177.1 | -73.5 | 172.6 | 0 | 0 | 0 | 110.5 | R356 R357 A360 V378 A379 Q380 H381 I420 | L344-R356 HydrophobicContact CD2-CB 4.01Å; L344-R356 VanDerWaalsContact CD2-O 3.29Å; L344-R356 WeakPolarHBondContact CD2-O 3.43Å; L344-R357 HydrophobicContact CD1-CG 4.36Å; L344-A360 HydrophobicContact CD1-CB 4.3Å; L344-A360 HydrophobicContact CD2-CB 3.69Å; L344-A360 HydrophobicContact CG-CB 4.28Å; L344-V378 HydrophobicContact CD1-CG1 3.83Å; L344-V378 HydrophobicContact CG-CG1 4.32Å; L344-A379 PolarHBondContact N-O 2.83Å; L344-Q380 HydrophobicContact CB-CB 4.22Å; L344-Q380 HydrophobicContact CB-CG 4.14Å; L344-H381 PolarHBondContact O-N 3.5Å; L344-I420 HydrophobicContact CD2-CB 4.04Å; L344-I420 HydrophobicContact CD2-CD1 3.93Å; L344-I420 HydrophobicContact CD2-CG1 4.34Å; L344-I420 HydrophobicContact CD2-CG2 4.44Å |
| 345 | D | 83.2 | Confident | 68.4 | Low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 120.8 | 170.4 | -176.7 | 6.5 | 0 | 0 | 0 | 111.5 | S347 R356 L384 I420 T421 | D345-S347 VanDerWaalsContact CG-OG 3.28Å; D345-S347 WeakPolarHBondContact OD1-CB 3.32Å; D345-S347 PolarHBondContact OD1-N 3.19Å; D345-S347 PolarHBondContact OD1-OG 2.87Å; D345-S347 PolarHBondContact OD2-OG 3.13Å; D345-R356 WeakPolarHBondContact O-CD 3.46Å; D345-R356 PolarHBondContact O-NH1 2.79Å; D345-R356 IonicContact OD1-NH1 2.66Å; D345-R356 IonicContact OD2-CZ 3.76Å; D345-R356 IonicContact OD2-NH1 3.21Å; D345-R356 PolarHBondContact OD2-NH1 3.48Å; D345-R356 IonicContact OD2-NH2 3.66Å; D345-L384 HydrophobicContact CB-CD1 3.63Å; D345-L384 HydrophobicContact CB-CG 4.01Å; D345-I420 VanDerWaalsContact CB-O 3.25Å; D345-I420 WeakPolarHBondContact CB-O 3.4Å; D345-I420 PolarHBondContact N-O 3.22Å; D345-T421 PolarHBondContact OD2-OG1 2.93Å |
| 346 | S | 76 | Confident | 69.7 | Low | 31 Ų | 31 | 42.6 Ų | 42.6 | 22% | 0.217 | 23% | 0.231 | C | C | . | . | trans | -110 | 19.5 | 173.1 | 66.8 | 0 | 0 | 0 | 0 | 114.8 | K348 Q380 H381 P382 | S346-K348 VanDerWaalsContact C-N 3.27Å; S346-K348 PolarHBondContact O-N 3.07Å; S346-Q380 VanDerWaalsContact CB-NE2 3.28Å; S346-H381 PolarHBondContact N-O 2.9Å; S346-H381 PolarHBondContact OG-O 3.26Å; S346-H381 VanDerWaalsContact OG-O 3.12Å; S346-P382 CarbonylContact C-O 3.59Å; S346-P382 VanDerWaalsContact OG-CA 3.31Å; S346-P382 WeakPolarHBondContact OG-CA 3.3Å | ||
| 347 | S | 70.2 | Confident | 70.9 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -74.9 | -2.3 | -175.9 | 64.9 | 0 | 0 | 0 | 0 | 116.8 | D345 P382 | D345-S347 VanDerWaalsContact CG-OG 3.28Å; D345-S347 WeakPolarHBondContact OD1-CB 3.32Å; D345-S347 PolarHBondContact OD1-N 3.19Å; D345-S347 PolarHBondContact OD1-OG 2.87Å; D345-S347 PolarHBondContact OD2-OG 3.13Å; S347-P382 WeakPolarHBondContact CA-O 3.36Å; S347-P382 WeakPolarHBondContact CB-O 3.31Å; S347-P382 PolarHBondContact N-O 2.87Å; S347-P382 VanDerWaalsContact N-O 3.15Å |
| 348 | K | 66.5 | Low | 71.7 | Confident | 118 Ų | 118 | 46.3 Ų | 46.3 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -125.2 | -176.1 | -169.2 | -67.1 | -62.7 | -177.3 | -176.4 | 0 | 111 | S346 S352 | S346-K348 VanDerWaalsContact C-N 3.27Å; S346-K348 PolarHBondContact O-N 3.07Å; K348-S352 WeakPolarHBondContact CB-OG 3.27Å |
| 349 | S | 54.8 | Low | 72.2 | Confident | 78 Ų | 78 | 45.4 Ų | 45.4 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | trans | -54.9 | 151.9 | -176.7 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | R351 S352 V353 | S349-R351 PolarHBondContact O-N 3.34Å; S349-S352 PolarHBondContact N-OG 2.68Å; S349-S352 WeakPolarHBondContact O-CA 3.45Å; S349-S352 WeakPolarHBondContact O-CB 3.48Å; S349-S352 PolarHBondContact O-N 2.9Å; S349-S352 PolarHBondContact O-OG 2.72Å; S349-V353 PolarHBondContact O-N 3.34Å; S349-V353 VanDerWaalsContact O-N 3.16Å | ||
| 350 | I | 49 | Very low | 72.7 | Confident | 149 Ų | 149 | 44.7 Ų | 44.7 | 76% | 0.764 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -51.7 | -35.2 | 179.4 | -164.7 | 154.5 | 0 | 0 | 0 | 113 | S352 V353 E354 | I350-S352 PolarHBondContact O-N 3.33Å; I350-V353 PolarHBondContact O-N 3.18Å; I350-E354 PolarHBondContact O-N 3.18Å; I350-E354 VanDerWaalsContact O-N 3.08Å |
| 351 | R | 48.9 | Very low | 72.4 | Confident | 189 Ų | 189 | 48.6 Ų | 48.6 | 71% | 0.713 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.8 | -38.5 | 175.2 | -67.3 | -172.8 | 177.8 | -153.6 | -0.9 | 113.1 | S349 S355 | S349-R351 PolarHBondContact O-N 3.34Å; R351-S355 PolarHBondContact O-N 2.87Å; R351-S355 PolarHBondContact O-OG 3.49Å |
| 352 | S | 63.8 | Low | 71.9 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.7 | -32.8 | 176.7 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | K348 S349 I350 R356 | K348-S352 WeakPolarHBondContact CB-OG 3.27Å; S349-S352 PolarHBondContact N-OG 2.68Å; S349-S352 WeakPolarHBondContact O-CA 3.45Å; S349-S352 WeakPolarHBondContact O-CB 3.48Å; S349-S352 PolarHBondContact O-N 2.9Å; S349-S352 PolarHBondContact O-OG 2.72Å; I350-S352 PolarHBondContact O-N 3.33Å; S352-R356 WeakPolarHBondContact O-CD 3.31Å; S352-R356 VanDerWaalsContact O-CG 3.22Å; S352-R356 WeakPolarHBondContact O-CG 3.13Å; S352-R356 PolarHBondContact O-N 2.79Å |
| 353 | V | 67.6 | Low | 71.5 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | S349 I350 R356 R357 | S349-V353 PolarHBondContact O-N 3.34Å; S349-V353 VanDerWaalsContact O-N 3.16Å; I350-V353 PolarHBondContact O-N 3.18Å; V353-R356 WeakPolarHBondContact O-CB 3.27Å; V353-R356 PolarHBondContact O-N 2.82Å; V353-R356 VanDerWaalsContact O-N 3.13Å; V353-R357 HydrophobicContact CG1-CG 4.47Å; V353-R357 WeakPolarHBondContact O-CG 3.44Å; V353-R357 PolarHBondContact O-N 3.08Å |
| 354 | E | 64 | Low | 71.2 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.7 | -163.6 | 57 | -152.8 | 0 | 0 | 112.4 | I350 R356 R357 E358 | I350-E354 PolarHBondContact O-N 3.18Å; I350-E354 VanDerWaalsContact O-N 3.08Å; E354-R356 PolarHBondContact O-N 3.31Å; E354-R356 VanDerWaalsContact O-N 3.16Å; E354-R357 PolarHBondContact O-N 2.85Å; E354-R357 VanDerWaalsContact O-N 3.14Å; E354-R357 IonicContact OE2-NH1 3.88Å; E354-E358 WeakPolarHBondContact O-CB 3.37Å; E354-E358 PolarHBondContact O-N 2.92Å |
| 355 | S | 69 | Low | 70.5 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.8 | -30.8 | 173.5 | -71.1 | 0 | 0 | 0 | 0 | 113.4 | R351 A359 | R351-S355 PolarHBondContact O-N 2.87Å; R351-S355 PolarHBondContact O-OG 3.49Å; S355-A359 WeakPolarHBondContact O-CB 3.39Å; S355-A359 PolarHBondContact O-N 3.2Å |
| 356 | R | 76.5 | Confident | 69.8 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79.2 | -38.7 | 176.7 | -64.9 | 167.7 | -170.5 | 158.5 | 2.3 | 112.3 | L344 D345 S352 V353 E354 E358 A359 A360 I420 T448 | L344-R356 HydrophobicContact CD2-CB 4.01Å; L344-R356 VanDerWaalsContact CD2-O 3.29Å; L344-R356 WeakPolarHBondContact CD2-O 3.43Å; D345-R356 WeakPolarHBondContact O-CD 3.46Å; D345-R356 PolarHBondContact O-NH1 2.79Å; D345-R356 IonicContact OD1-NH1 2.66Å; D345-R356 IonicContact OD2-CZ 3.76Å; D345-R356 IonicContact OD2-NH1 3.21Å; D345-R356 PolarHBondContact OD2-NH1 3.48Å; D345-R356 IonicContact OD2-NH2 3.66Å; S352-R356 WeakPolarHBondContact O-CD 3.31Å; S352-R356 VanDerWaalsContact O-CG 3.22Å; S352-R356 WeakPolarHBondContact O-CG 3.13Å; S352-R356 PolarHBondContact O-N 2.79Å; V353-R356 WeakPolarHBondContact O-CB 3.27Å; V353-R356 PolarHBondContact O-N 2.82Å; V353-R356 VanDerWaalsContact O-N 3.13Å; E354-R356 PolarHBondContact O-N 3.31Å; E354-R356 VanDerWaalsContact O-N 3.16Å; R356-E358 VanDerWaalsContact C-N 3.33Å; R356-A359 PolarHBondContact O-N 3.49Å; R356-A360 PolarHBondContact O-N 3.19Å; R356-I420 HydrophobicContact CB-CG2 3.79Å; R356-I420 HydrophobicContact CG-CG2 3.91Å; R356-T448 HydrophobicContact CB-CG2 4.32Å; R356-T448 HydrophobicContact CG-CG2 3.65Å; R356-T448 WeakPolarHBondContact CG-OG1 3.1Å |
| 357 | R | 77.4 | Confident | 69.7 | Low | 106 Ų | 106 | 55.3 Ų | 55.3 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 172.3 | -74.3 | 175.7 | 172.3 | -178.6 | -6.8 | 110.9 | L344 V353 E354 A359 A360 M361 | L344-R357 HydrophobicContact CD1-CG 4.36Å; V353-R357 HydrophobicContact CG1-CG 4.47Å; V353-R357 WeakPolarHBondContact O-CG 3.44Å; V353-R357 PolarHBondContact O-N 3.08Å; E354-R357 PolarHBondContact O-N 2.85Å; E354-R357 VanDerWaalsContact O-N 3.14Å; E354-R357 IonicContact OE2-NH1 3.88Å; R357-A359 PolarHBondContact O-N 3Å; R357-A360 WeakPolarHBondContact O-CB 3.43Å; R357-A360 PolarHBondContact O-N 3.03Å; R357-M361 WeakPolarHBondContact O-CG 3.12Å; R357-M361 PolarHBondContact O-N 3.07Å |
| 358 | E | 71.7 | Confident | 69.5 | Low | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 174.4 | -179.3 | 53.3 | -140.4 | 0 | 0 | 111.4 | E354 R356 A360 M361 Q362 | E354-E358 WeakPolarHBondContact O-CB 3.37Å; E354-E358 PolarHBondContact O-N 2.92Å; R356-E358 VanDerWaalsContact C-N 3.33Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 2.93Å; E358-M361 PolarHBondContact O-N 3.49Å; E358-M361 VanDerWaalsContact O-N 3.11Å; E358-Q362 WeakPolarHBondContact O-CG 3.14Å; E358-Q362 PolarHBondContact O-N 2.84Å; E358-Q362 WeakPolarHBondContact OE1-CG 3.48Å; E358-Q362 PolarHBondContact OE1-NE2 3.36Å |
| 359 | A | 78.5 | Confident | 69.3 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | S355 R356 R357 L363 I420 L446 T448 K470 | S355-A359 WeakPolarHBondContact O-CB 3.39Å; S355-A359 PolarHBondContact O-N 3.2Å; R356-A359 PolarHBondContact O-N 3.49Å; R357-A359 PolarHBondContact O-N 3Å; A359-L363 PolarHBondContact O-N 2.65Å; A359-I420 HydrophobicContact CB-CG2 4.16Å; A359-L446 HydrophobicContact CB-CD2 3.81Å; A359-T448 HydrophobicContact CB-CG2 4.04Å; A359-K470 HydrophobicContact CB-CG 4.29Å |
| 360 | A | 84.1 | Confident | 69.6 | Low | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I342 L344 R356 R357 E358 Q362 L363 I364 I420 | I342-A360 HydrophobicContact CG2-CB 4.15Å; L344-A360 HydrophobicContact CD1-CB 4.3Å; L344-A360 HydrophobicContact CD2-CB 3.69Å; L344-A360 HydrophobicContact CG-CB 4.28Å; R356-A360 PolarHBondContact O-N 3.19Å; R357-A360 WeakPolarHBondContact O-CB 3.43Å; R357-A360 PolarHBondContact O-N 3.03Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 2.93Å; A360-Q362 VanDerWaalsContact C-N 3.34Å; A360-Q362 PolarHBondContact O-N 2.77Å; A360-L363 PolarHBondContact O-N 3.49Å; A360-L363 VanDerWaalsContact O-N 3.13Å; A360-I364 HydrophobicContact CB-CD1 4.27Å; A360-I364 WeakPolarHBondContact O-CB 3.23Å; A360-I364 WeakPolarHBondContact O-CD1 3.33Å; A360-I364 WeakPolarHBondContact O-CG1 3.42Å; A360-I364 PolarHBondContact O-N 2.72Å; A360-I420 VanDerWaalsContact CA-CD1 3.46Å; A360-I420 HydrophobicContact CB-CD1 3.6Å |
| 361 | M | 76.4 | Confident | 69.9 | Low | 88 Ų | 88 | 52 Ų | 52 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.7 | -44.6 | -179.2 | -77.4 | -56.8 | -57.9 | 0 | 0 | 111.8 | R357 E358 L363 I364 F365 | R357-M361 WeakPolarHBondContact O-CG 3.12Å; R357-M361 PolarHBondContact O-N 3.07Å; E358-M361 PolarHBondContact O-N 3.49Å; E358-M361 VanDerWaalsContact O-N 3.11Å; M361-L363 VanDerWaalsContact C-N 3.3Å; M361-L363 PolarHBondContact O-N 3.25Å; M361-I364 PolarHBondContact O-N 2.82Å; M361-I364 HydrophobicContact SD-CD1 4.19Å; M361-F365 VanDerWaalsContact O-CB 3.31Å; M361-F365 WeakPolarHBondContact O-CB 3.15Å; M361-F365 PolarHBondContact O-N 3.49Å |
| 362 | Q | 73.3 | Confident | 70.1 | Confident | 42 Ų | 42 | 43.5 Ų | 43.5 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 174.8 | -68.6 | -179.8 | 9.4 | 0 | 0 | 112.2 | E358 A360 K366 V473 | E358-Q362 WeakPolarHBondContact O-CG 3.14Å; E358-Q362 PolarHBondContact O-N 2.84Å; E358-Q362 WeakPolarHBondContact OE1-CG 3.48Å; E358-Q362 PolarHBondContact OE1-NE2 3.36Å; A360-Q362 VanDerWaalsContact C-N 3.34Å; A360-Q362 PolarHBondContact O-N 2.77Å; Q362-K366 PolarHBondContact O-N 2.82Å; Q362-K366 VanDerWaalsContact O-N 3.12Å; Q362-V473 HydrophobicContact CB-CG1 4.49Å |
| 363 | L | 79.8 | Confident | 70 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -45.6 | 177.2 | -179.7 | 61.1 | 0 | 0 | 0 | 112.2 | I342 A359 A360 M361 F365 K366 L367 V418 V473 L476 L480 | I342-L363 HydrophobicContact CD1-CD2 3.91Å; I342-L363 HydrophobicContact CD1-CG 4.22Å; I342-L363 HydrophobicContact CG1-CD2 4.26Å; A359-L363 PolarHBondContact O-N 2.65Å; A360-L363 PolarHBondContact O-N 3.49Å; A360-L363 VanDerWaalsContact O-N 3.13Å; M361-L363 VanDerWaalsContact C-N 3.3Å; M361-L363 PolarHBondContact O-N 3.25Å; L363-F365 VanDerWaalsContact C-N 3.32Å; L363-F365 PolarHBondContact O-N 2.7Å; L363-K366 PolarHBondContact O-N 3.03Å; L363-L367 HydrophobicContact CD1-CD1 4.18Å; L363-L367 HydrophobicContact CD1-CG 4.25Å; L363-L367 HydrophobicContact CG-CD1 3.93Å; L363-L367 HydrophobicContact CG-CG 4.44Å; L363-L367 WeakPolarHBondContact O-CB 3.15Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 2.68Å; L363-V418 HydrophobicContact CD2-CB 4.23Å; L363-V418 HydrophobicContact CD2-CG1 3.84Å; L363-V418 HydrophobicContact CD2-CG2 4.09Å; L363-V473 HydrophobicContact CB-CG1 4.06Å; L363-V473 HydrophobicContact CD1-CG1 4.15Å; L363-L476 HydrophobicContact CD1-CD2 4.26Å; L363-L476 HydrophobicContact CD1-CG 4.4Å; L363-L476 HydrophobicContact CD2-CD2 3.91Å; L363-L480 HydrophobicContact CD1-CD1 3.88Å; L363-L480 HydrophobicContact CD2-CD1 4.5Å |
| 364 | I | 80.2 | Confident | 70 | Confident | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58 | -47.7 | 177.5 | -67.8 | 158.7 | 0 | 0 | 0 | 109.5 | I342 A360 M361 K366 L367 L368 V376 V378 | I342-I364 HydrophobicContact CD1-CD1 4.29Å; I342-I364 HydrophobicContact CD1-CG1 3.56Å; A360-I364 HydrophobicContact CB-CD1 4.27Å; A360-I364 WeakPolarHBondContact O-CB 3.23Å; A360-I364 WeakPolarHBondContact O-CD1 3.33Å; A360-I364 WeakPolarHBondContact O-CG1 3.42Å; A360-I364 PolarHBondContact O-N 2.72Å; M361-I364 PolarHBondContact O-N 2.82Å; M361-I364 HydrophobicContact SD-CD1 4.19Å; I364-K366 PolarHBondContact O-N 3.35Å; I364-L367 PolarHBondContact O-N 2.8Å; I364-L367 VanDerWaalsContact O-N 3.17Å; I364-L368 HydrophobicContact CG2-CD1 3.58Å; I364-L368 HydrophobicContact CG2-CG 4.12Å; I364-L368 WeakPolarHBondContact O-CB 2.86Å; I364-L368 VanDerWaalsContact O-CG 3.3Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 3.08Å; I364-V376 HydrophobicContact CG1-CG1 4.02Å; I364-V378 HydrophobicContact CD1-CG2 3.52Å; I364-V378 HydrophobicContact CG1-CG2 4.13Å |
| 365 | F | 68.9 | Low | 70.3 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 26% | 0.263 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 179.1 | -171.6 | -96.8 | 0 | 0 | 0 | 111.8 | L159 M361 L363 L367 L368 N369 | L159-F365 VanDerWaalsContact O-CE1 3.27Å; L159-F365 WeakPolarHBondContact O-CE1 3.4Å; L159-F365 VanDerWaalsContact O-CZ 3.3Å; L159-F365 WeakPolarHBondContact O-CZ 3.36Å; M361-F365 VanDerWaalsContact O-CB 3.31Å; M361-F365 WeakPolarHBondContact O-CB 3.15Å; M361-F365 PolarHBondContact O-N 3.49Å; L363-F365 VanDerWaalsContact C-N 3.32Å; L363-F365 PolarHBondContact O-N 2.7Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 3.2Å; F365-L368 PolarHBondContact O-N 3.49Å; F365-N369 WeakPolarHBondContact CD1-ND2 3.3Å; F365-N369 WeakPolarHBondContact CD2-ND2 3.49Å; F365-N369 WeakPolarHBondContact CE1-ND2 3.46Å; F365-N369 WeakPolarHBondContact CE2-ND2 3.35Å; F365-N369 WeakPolarHBondContact CZ-ND2 3.46Å; F365-N369 WeakPolarHBondContact O-CB 3.18Å; F365-N369 PolarHBondContact O-N 3.07Å; F365-N369 PolarHBondContact O-ND2 2.59Å |
| 366 | K | 69 | Low | 70.7 | Confident | 71 Ų | 71 | 40.5 Ų | 40.5 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.9 | -39.8 | 174.4 | -80.3 | -178.2 | -179.2 | -76.7 | 0 | 112.6 | Q362 L363 I364 G370 V473 Y477 | Q362-K366 PolarHBondContact O-N 2.82Å; Q362-K366 VanDerWaalsContact O-N 3.12Å; L363-K366 PolarHBondContact O-N 3.03Å; I364-K366 PolarHBondContact O-N 3.35Å; K366-G370 WeakPolarHBondContact O-CA 3.24Å; K366-G370 PolarHBondContact O-N 3.27Å; K366-V473 HydrophobicContact CD-CG1 4.13Å; K366-Y477 HydrophobicContact CB-CD2 4.02Å; K366-Y477 HydrophobicContact CB-CE2 4.4Å; K366-Y477 HydrophobicContact CB-CG 4.33Å; K366-Y477 WeakPolarHBondContact O-CE2 3.37Å |
| 367 | L | 74 | Confident | 70.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -47.9 | 178.1 | -73.2 | 169 | 0 | 0 | 0 | 111.9 | V340 L363 I364 F365 G370 V374 V376 Y477 L480 | V340-L367 HydrophobicContact CB-CD1 4.13Å; V340-L367 HydrophobicContact CG1-CD1 3.88Å; V340-L367 HydrophobicContact CG2-CD1 4.2Å; V340-L367 HydrophobicContact CG2-CD2 4.21Å; L363-L367 HydrophobicContact CD1-CD1 4.18Å; L363-L367 HydrophobicContact CD1-CG 4.25Å; L363-L367 HydrophobicContact CG-CD1 3.93Å; L363-L367 HydrophobicContact CG-CG 4.44Å; L363-L367 WeakPolarHBondContact O-CB 3.15Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 2.68Å; I364-L367 PolarHBondContact O-N 2.8Å; I364-L367 VanDerWaalsContact O-N 3.17Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 3.2Å; L367-G370 PolarHBondContact O-N 2.92Å; L367-V374 HydrophobicContact CB-CG1 4.18Å; L367-V374 HydrophobicContact CD2-CG2 4.5Å; L367-V374 WeakPolarHBondContact O-CG1 3.39Å; L367-V376 HydrophobicContact CB-CG2 4.09Å; L367-V376 HydrophobicContact CD1-CG1 4.48Å; L367-V376 HydrophobicContact CD1-CG2 3.96Å; L367-Y477 HydrophobicContact CD2-CD2 4.02Å; L367-Y477 HydrophobicContact CD2-CE2 4.16Å; L367-Y477 HydrophobicContact CG-CD2 4.47Å; L367-L480 HydrophobicContact CD2-CD1 4.24Å |
| 368 | L | 66.2 | Low | 70.7 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 20% | 0.199 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70 | -38.4 | -177.2 | -65.7 | 175.7 | 0 | 0 | 0 | 112.4 | V306 K308 I364 F365 G370 V374 V376 | V306-L368 HydrophobicContact CG1-CD1 3.81Å; V306-L368 HydrophobicContact CG1-CD2 4.39Å; K308-L368 HydrophobicContact CB-CD2 4.08Å; K308-L368 WeakPolarHBondContact CD-O 3.37Å; K308-L368 VanDerWaalsContact CE-O 3.28Å; K308-L368 WeakPolarHBondContact CE-O 3.27Å; K308-L368 PolarHBondContact NZ-O 2.74Å; I364-L368 HydrophobicContact CG2-CD1 3.58Å; I364-L368 HydrophobicContact CG2-CG 4.12Å; I364-L368 WeakPolarHBondContact O-CB 2.86Å; I364-L368 VanDerWaalsContact O-CG 3.3Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 3.08Å; F365-L368 PolarHBondContact O-N 3.49Å; L368-G370 VanDerWaalsContact C-N 3.35Å; L368-V374 HydrophobicContact CD2-CG1 4.23Å; L368-V376 HydrophobicContact CD2-CG2 4.44Å |
| 369 | N | 62.8 | Low | 71 | Confident | 104 Ų | 104 | 35 Ų | 35 | 56% | 0.556 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -84.4 | -10.5 | 177.5 | -68.8 | -32.2 | 0 | 0 | 0 | 113.7 | F365 | F365-N369 WeakPolarHBondContact CD1-ND2 3.3Å; F365-N369 WeakPolarHBondContact CD2-ND2 3.49Å; F365-N369 WeakPolarHBondContact CE1-ND2 3.46Å; F365-N369 WeakPolarHBondContact CE2-ND2 3.35Å; F365-N369 WeakPolarHBondContact CZ-ND2 3.46Å; F365-N369 WeakPolarHBondContact O-CB 3.18Å; F365-N369 PolarHBondContact O-N 3.07Å; F365-N369 PolarHBondContact O-ND2 2.59Å |
| 370 | G | 60.3 | Low | 70.9 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -66.6 | 174.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K308 K366 L367 L368 L372 Y477 | K308-G370 PolarHBondContact NZ-O 2.9Å; K366-G370 WeakPolarHBondContact O-CA 3.24Å; K366-G370 PolarHBondContact O-N 3.27Å; L367-G370 PolarHBondContact O-N 2.92Å; L368-G370 VanDerWaalsContact C-N 3.35Å; G370-L372 PolarHBondContact O-N 2.88Å; G370-Y477 VanDerWaalsContact CA-OH 3.29Å; G370-Y477 WeakPolarHBondContact CA-OH 3.36Å |
| 371 | H | 55.6 | Low | 70.5 | Confident | 170 Ų | 170 | 36.9 Ų | 36.9 | 79% | 0.787 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -72.9 | -2.2 | 178.5 | -62.7 | -65 | 0 | 0 | 0 | 114.3 | P488 | H371-P488 HydrophobicContact CB-CG 4.3Š|
| 372 | L | 53.6 | Low | 70.1 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -87.7 | 136.8 | -178.5 | -70.9 | 174.1 | 0 | 0 | 0 | 111.6 | G370 V374 L481 A484 C486 | G370-L372 PolarHBondContact O-N 2.88Å; L372-V374 HydrophobicContact CB-CB 4.23Å; L372-V374 PolarHBondContact O-N 2.85Å; L372-L481 HydrophobicContact CD1-CD2 3.31Å; L372-L481 HydrophobicContact CG-CD2 3.78Å; L372-A484 HydrophobicContact CD1-CB 3.9Å; L372-A484 HydrophobicContact CD2-CB 3.85Å; L372-C486 HydrophobicContact CD2-CB 4.46Å; L372-C486 WeakPolarHBondContact CD2-O 3.23Å |
| 373 | N | 61.3 | Low | 69.9 | Low | 63 Ų | 63 | 34.5 Ų | 34.5 | 34% | 0.337 | 18% | 0.179 | S | C | . | . | trans | -71.9 | 107 | 153.1 | -166 | -6.2 | 0 | 0 | 0 | 106.5 | D332 P337 S338 | D332-N373 PolarHBondContact OD1-ND2 3.29Å; P337-N373 CarbonylContact C-O 3.49Å; P337-N373 VanDerWaalsContact CA-O 3.22Å; P337-N373 WeakPolarHBondContact CA-O 3.41Å; P337-N373 WeakPolarHBondContact CB-O 3.34Å; S338-N373 PolarHBondContact N-O 2.78Å | ||
| 374 | V | 67.6 | Low | 69.4 | Low | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.5 | -169.7 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | K308 S338 V340 L367 L368 L372 V376 | K308-V374 PolarHBondContact N-O 3.39Å; S338-V374 CarbonylContact O-C 3.53Å; S338-V374 VanDerWaalsContact O-CA 3.27Å; S338-V374 WeakPolarHBondContact O-CA 3.38Å; S338-V374 WeakPolarHBondContact O-CG2 3.3Å; V340-V374 HydrophobicContact CG2-CG2 3.87Å; L367-V374 HydrophobicContact CB-CG1 4.18Å; L367-V374 HydrophobicContact CD2-CG2 4.5Å; L367-V374 WeakPolarHBondContact O-CG1 3.39Å; L368-V374 HydrophobicContact CD2-CG1 4.23Å; L372-V374 HydrophobicContact CB-CB 4.23Å; L372-V374 PolarHBondContact O-N 2.85Å; V374-V376 HydrophobicContact CG1-CG2 4.16Å; V374-V376 HydrophobicContact CG2-CG2 4.02Å |
| 375 | Q | 69.5 | Low | 68.7 | Low | 29 Ų | 29 | 39.8 Ų | 39.8 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.3 | 166.3 | 168.4 | 178.1 | -3.7 | 0 | 0 | 107.6 | H307 P337 S338 N339 V340 | H307-Q375 VanDerWaalsContact CE1-CG 3.46Å; H307-Q375 WeakPolarHBondContact CE1-CG 3.22Å; H307-Q375 PolarHBondContact CE1-NE2 2.88Å; H307-Q375 PolarHBondContact CE1-OE1 3.14Å; P337-Q375 HydrophobicContact CB-CB 4.36Å; P337-Q375 HydrophobicContact CG-CB 4.16Å; S338-Q375 PolarHBondContact O-N 3.44Å; N339-Q375 WeakPolarHBondContact OD1-CB 3.46Å; N339-Q375 PolarHBondContact OD1-OE1 3.38Å; V340-Q375 PolarHBondContact N-O 3.04Å |
| 376 | V | 76.9 | Confident | 68.7 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.4 | -178.6 | -172.6 | 0 | 0 | 0 | 0 | 109 | V306 V340 I342 I364 L367 L368 V374 V378 | V306-V376 PolarHBondContact N-O 3.47Å; V306-V376 PolarHBondContact O-N 2.82Å; V306-V376 VanDerWaalsContact O-O 3.12Å; V340-V376 CarbonylContact O-C 3.6Å; V340-V376 VanDerWaalsContact O-CA 3.3Å; V340-V376 WeakPolarHBondContact O-CA 3.39Å; I342-V376 HydrophobicContact CD1-CG1 3.63Å; I342-V376 HydrophobicContact CG1-CG1 4.1Å; I364-V376 HydrophobicContact CG1-CG1 4.02Å; L367-V376 HydrophobicContact CB-CG2 4.09Å; L367-V376 HydrophobicContact CD1-CG1 4.48Å; L367-V376 HydrophobicContact CD1-CG2 3.96Å; L368-V376 HydrophobicContact CD2-CG2 4.44Å; V374-V376 HydrophobicContact CG1-CG2 4.16Å; V374-V376 HydrophobicContact CG2-CG2 4.02Å; V376-V378 HydrophobicContact CG1-CG2 4.19Å |
| 377 | T | 76.1 | Confident | 68.1 | Low | 10 Ų | 10 | 40.4 Ų | 40.4 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114.2 | 174.9 | -58.6 | 0 | 0 | 0 | 0 | 108.6 | V340 I341 I342 Y397 C401 | V340-T377 PolarHBondContact O-N 2.93Å; I341-T377 CarbonylContact C-O 3.6Å; I341-T377 VanDerWaalsContact CA-O 3.3Å; I341-T377 WeakPolarHBondContact CA-O 3.46Å; I342-T377 PolarHBondContact N-O 3.03Å; T377-Y397 HydrophobicContact CG2-CD1 4.46Å; T377-C401 PolarHBondContact OG1-SG 2.83Å |
| 378 | V | 78.2 | Confident | 67.6 | Low | 17 Ų | 17 | 45.1 Ų | 45.1 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.8 | 177.9 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | S303 L304 I342 L344 I364 V376 | S303-V378 CarbonylContact C-O 3.56Å; S303-V378 VanDerWaalsContact CA-O 3.22Å; S303-V378 WeakPolarHBondContact CA-O 3.42Å; L304-V378 PolarHBondContact N-O 2.88Å; L304-V378 PolarHBondContact O-N 3.29Å; I342-V378 HydrophobicContact CB-CG1 4.49Å; I342-V378 HydrophobicContact CB-CG2 4.43Å; I342-V378 HydrophobicContact CG2-CG1 4.49Å; I342-V378 CarbonylContact O-C 3.59Å; I342-V378 WeakPolarHBondContact O-CA 3.42Å; L344-V378 HydrophobicContact CD1-CG1 3.83Å; L344-V378 HydrophobicContact CG-CG1 4.32Å; I364-V378 HydrophobicContact CD1-CG2 3.52Å; I364-V378 HydrophobicContact CG1-CG2 4.13Å; V376-V378 HydrophobicContact CG1-CG2 4.19Å |
| 379 | A | 78.3 | Confident | 67.7 | Low | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 130.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q302 I342 L343 L344 Y397 | Q302-A379 CarbonylContact O-C 3.59Å; Q302-A379 WeakPolarHBondContact O-CA 3.29Å; I342-A379 PolarHBondContact O-N 2.85Å; L343-A379 CarbonylContact C-O 3.46Å; L343-A379 WeakPolarHBondContact CA-O 3.46Å; L343-A379 HydrophobicContact CD2-CB 3.84Å; L344-A379 PolarHBondContact N-O 2.83Å; A379-Y397 HydrophobicContact CB-CE1 4.12Å; A379-Y397 HydrophobicContact CB-CE2 3.88Å; A379-Y397 VanDerWaalsContact CB-CZ 3.48Å; A379-Y397 WeakPolarHBondContact CB-OH 3.29Å |
| 380 | Q | 77.7 | Confident | 68.1 | Low | 40 Ų | 40 | 39.8 Ų | 39.8 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130 | 174.5 | -168.1 | -179.5 | -50.5 | 0 | 0 | 110.1 | A301 Q302 L344 S346 | A301-Q380 WeakPolarHBondContact CA-O 3.12Å; A301-Q380 WeakPolarHBondContact CB-O 3.45Å; Q302-Q380 PolarHBondContact N-O 3.14Å; Q302-Q380 PolarHBondContact O-N 2.77Å; L344-Q380 HydrophobicContact CB-CB 4.22Å; L344-Q380 HydrophobicContact CB-CG 4.14Å; S346-Q380 VanDerWaalsContact CB-NE2 3.28Å |
| 381 | H | 75 | Confident | 68.7 | Low | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.4 | -172.8 | -163.4 | -60 | 0 | 0 | 0 | 111 | L344 S346 S383 L384 L390 R393 | L344-H381 PolarHBondContact O-N 3.5Å; S346-H381 PolarHBondContact N-O 2.9Å; S346-H381 PolarHBondContact OG-O 3.26Å; S346-H381 VanDerWaalsContact OG-O 3.12Å; H381-S383 VanDerWaalsContact C-N 3.34Å; H381-S383 PolarHBondContact CE1-O 2.77Å; H381-S383 PolarHBondContact ND1-N 3.08Å; H381-S383 PolarHBondContact ND1-O 2.79Å; H381-S383 PolarHBondContact O-N 3.16Å; H381-L384 HydrophobicContact CB-CD2 3.67Å; H381-L390 WeakPolarHBondContact NE2-CD2 3.43Å; H381-R393 PolarHBondContact CD2-NE 3.13Å; H381-R393 VanDerWaalsContact CD2-NE 3.34Å; H381-R393 PolarHBondContact CD2-NH2 3.31Å; H381-R393 PolarHBondContact CE1-NH2 3.38Å; H381-R393 PolarHBondContact ND1-NH2 3.33Å; H381-R393 PolarHBondContact NE2-NE 3.42Å; H381-R393 PolarHBondContact NE2-NH2 3.19Å |
| 382 | P | 67.4 | Low | 69.5 | Low | 45 Ų | 45 | 41.9 Ų | 41.9 | 29% | 0.292 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -63.5 | -32.5 | -174.8 | 22.2 | -32.4 | 0 | 0 | 0 | 114.4 | N299 S346 S347 | N299-P382 HydrophobicContact CB-CG 4.48Å; S346-P382 CarbonylContact C-O 3.59Å; S346-P382 VanDerWaalsContact OG-CA 3.31Å; S346-P382 WeakPolarHBondContact OG-CA 3.3Å; S347-P382 WeakPolarHBondContact CA-O 3.36Å; S347-P382 WeakPolarHBondContact CB-O 3.31Å; S347-P382 PolarHBondContact N-O 2.87Å; S347-P382 VanDerWaalsContact N-O 3.15Å |
| 383 | S | 69.6 | Low | 70.3 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | trans | -148.7 | 123.4 | 171.6 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | H381 Q385 | H381-S383 VanDerWaalsContact C-N 3.34Å; H381-S383 PolarHBondContact CE1-O 2.77Å; H381-S383 PolarHBondContact ND1-N 3.08Å; H381-S383 PolarHBondContact ND1-O 2.79Å; H381-S383 PolarHBondContact O-N 3.16Å; S383-Q385 VanDerWaalsContact C-N 3.32Å; S383-Q385 PolarHBondContact OG-N 2.88Å | ||
| 384 | L | 69.4 | Low | 71 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -88.2 | 10.6 | 175.3 | -61.3 | -179 | 0 | 0 | 0 | 113.7 | D345 H381 L390 Y419 T425 L429 | D345-L384 HydrophobicContact CB-CD1 3.63Å; D345-L384 HydrophobicContact CB-CG 4.01Å; H381-L384 HydrophobicContact CB-CD2 3.67Å; L384-L390 HydrophobicContact CB-CD1 4.19Å; L384-L390 HydrophobicContact CD2-CD1 4.42Å; L384-L390 HydrophobicContact CD2-CD2 3.57Å; L384-L390 WeakPolarHBondContact O-CD1 3.44Å; L384-Y419 HydrophobicContact CD1-CD1 3.82Å; L384-Y419 HydrophobicContact CD2-CD1 4.34Å; L384-Y419 HydrophobicContact CD2-CE1 4.39Å; L384-T425 HydrophobicContact CB-CG2 4.25Å; L384-L429 HydrophobicContact CB-CD1 4.1Å; L384-L429 HydrophobicContact CD1-CD1 4.47Å; L384-L429 WeakPolarHBondContact O-CD2 3.28Å |
| 385 | Q | 65.9 | Low | 71.1 | Confident | 126 Ų | 126 | 42.4 Ų | 42.4 | 59% | 0.589 | 22% | 0.223 | S | C | * | . | trans | -84.1 | -20.3 | -177.4 | -64.6 | -156.4 | -19.3 | 0 | 0 | 113.9 | S383 S387 T425 | S383-Q385 VanDerWaalsContact C-N 3.32Å; S383-Q385 PolarHBondContact OG-N 2.88Å; Q385-S387 PolarHBondContact O-N 2.84Å; Q385-T425 HydrophobicContact CG-CG2 4.47Å | ||
| 386 | E | 67.4 | Low | 71.1 | Confident | 101 Ų | 101 | 43.8 Ų | 43.8 | 47% | 0.472 | 24% | 0.235 | S | C | . | . | trans | -83.7 | 93.3 | -178.2 | -68.3 | -174.8 | -179.6 | 0 | 0 | 112.1 | V388 S389 L390 | E386-V388 VanDerWaalsContact C-N 3.34Å; E386-V388 PolarHBondContact O-N 3.21Å; E386-S389 PolarHBondContact O-N 3.05Å; E386-L390 WeakPolarHBondContact O-CB 3.36Å; E386-L390 WeakPolarHBondContact O-CG 3.22Å; E386-L390 PolarHBondContact O-N 2.9Å | ||
| 387 | S | 58.2 | Low | 70.7 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.3 | -37.9 | -174.8 | 58 | 0 | 0 | 0 | 0 | 115 | Q385 K391 | Q385-S387 PolarHBondContact O-N 2.84Å; S387-K391 PolarHBondContact O-N 3.39Å; S387-K391 VanDerWaalsContact O-N 3.12Å |
| 388 | V | 62 | Low | 70.2 | Confident | 99 Ų | 99 | 44.5 Ų | 44.5 | 60% | 0.6 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.1 | -51.4 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | E386 L390 K391 E392 | E386-V388 VanDerWaalsContact C-N 3.34Å; E386-V388 PolarHBondContact O-N 3.21Å; V388-L390 VanDerWaalsContact C-N 3.27Å; V388-L390 PolarHBondContact O-N 2.88Å; V388-K391 PolarHBondContact O-N 2.78Å; V388-E392 PolarHBondContact O-N 3.39Å |
| 389 | S | 68.1 | Low | 69.6 | Low | 29 Ų | 29 | 46.9 Ų | 46.9 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.4 | -42.8 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | E386 E392 R393 | E386-S389 PolarHBondContact O-N 3.05Å; S389-E392 PolarHBondContact O-N 3.03Å; S389-R393 WeakPolarHBondContact O-CB 2.8Å; S389-R393 PolarHBondContact O-N 3.27Å |
| 390 | L | 72.1 | Confident | 68.7 | Low | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 177.8 | -80.7 | 172 | 0 | 0 | 0 | 114.2 | H381 L384 E386 V388 R393 L394 Y419 L429 I436 | H381-L390 WeakPolarHBondContact NE2-CD2 3.43Å; L384-L390 HydrophobicContact CB-CD1 4.19Å; L384-L390 HydrophobicContact CD2-CD1 4.42Å; L384-L390 HydrophobicContact CD2-CD2 3.57Å; L384-L390 WeakPolarHBondContact O-CD1 3.44Å; E386-L390 WeakPolarHBondContact O-CB 3.36Å; E386-L390 WeakPolarHBondContact O-CG 3.22Å; E386-L390 PolarHBondContact O-N 2.9Å; V388-L390 VanDerWaalsContact C-N 3.27Å; V388-L390 PolarHBondContact O-N 2.88Å; L390-R393 PolarHBondContact O-N 2.76Å; L390-L394 WeakPolarHBondContact O-CB 3.17Å; L390-L394 WeakPolarHBondContact O-CG 3.18Å; L390-L394 PolarHBondContact O-N 3.07Å; L390-Y419 HydrophobicContact CD2-CE1 4.46Å; L390-L429 HydrophobicContact CD1-CD2 4.16Å; L390-I436 HydrophobicContact CB-CG2 4.19Å |
| 391 | K | 73.2 | Confident | 67.8 | Low | 92 Ų | 92 | 51.1 Ų | 51.1 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 179.8 | -174.9 | -172.6 | -171.5 | 169.2 | 0 | 111.5 | S387 V388 R393 L394 S395 H435 | S387-K391 PolarHBondContact O-N 3.39Å; S387-K391 VanDerWaalsContact O-N 3.12Å; V388-K391 PolarHBondContact O-N 2.78Å; K391-R393 VanDerWaalsContact C-N 3.34Å; K391-L394 PolarHBondContact O-N 2.91Å; K391-S395 WeakPolarHBondContact O-CB 2.93Å; K391-S395 PolarHBondContact O-N 3.45Å; K391-S395 PolarHBondContact O-OG 3.21Å; K391-H435 WeakPolarHBondContact CD-O 3.47Å |
| 392 | E | 71.4 | Confident | 67 | Low | 133 Ų | 133 | 57.2 Ų | 57.2 | 62% | 0.621 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 176.2 | -69.5 | 177.4 | 174.3 | 0 | 0 | 110.5 | V388 S389 S395 S396 | V388-E392 PolarHBondContact O-N 3.39Å; S389-E392 PolarHBondContact O-N 3.03Å; E392-S395 WeakPolarHBondContact O-CB 3.32Å; E392-S395 PolarHBondContact O-N 2.81Å; E392-S396 PolarHBondContact O-N 3.11Å |
| 393 | R | 71.6 | Confident | 66.4 | Low | 51 Ų | 51 | 56.4 Ų | 56.4 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.4 | -141.7 | 110 | 86.3 | 151.6 | 14.1 | 112.8 | N299 H381 S389 L390 K391 S395 S396 Y397 | N299-R393 PolarHBondContact O-NH1 2.87Å; N299-R393 PolarHBondContact O-NH2 3.47Å; H381-R393 PolarHBondContact CD2-NE 3.13Å; H381-R393 VanDerWaalsContact CD2-NE 3.34Å; H381-R393 PolarHBondContact CD2-NH2 3.31Å; H381-R393 PolarHBondContact CE1-NH2 3.38Å; H381-R393 PolarHBondContact ND1-NH2 3.33Å; H381-R393 PolarHBondContact NE2-NE 3.42Å; H381-R393 PolarHBondContact NE2-NH2 3.19Å; S389-R393 WeakPolarHBondContact O-CB 2.8Å; S389-R393 PolarHBondContact O-N 3.27Å; L390-R393 PolarHBondContact O-N 2.76Å; K391-R393 VanDerWaalsContact C-N 3.34Å; R393-S395 VanDerWaalsContact C-N 3.28Å; R393-S395 PolarHBondContact O-N 3.08Å; R393-S396 WeakPolarHBondContact O-CB 3.43Å; R393-S396 PolarHBondContact O-N 2.8Å; R393-S396 VanDerWaalsContact O-N 3.16Å; R393-Y397 HydrophobicContact CB-CE2 4.4Å; R393-Y397 HydrophobicContact CG-CD2 4.43Å; R393-Y397 HydrophobicContact CG-CE2 3.72Å; R393-Y397 VanDerWaalsContact O-CD2 3.25Å; R393-Y397 WeakPolarHBondContact O-CD2 3.46Å; R393-Y397 PolarHBondContact O-N 2.81Å |
| 394 | L | 75.4 | Confident | 65.5 | Low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 176.1 | -85.3 | -179.7 | 0 | 0 | 0 | 112.1 | L343 L390 K391 S396 Y397 A398 V417 Y419 I436 L441 | L343-L394 HydrophobicContact CD1-CD2 3.65Å; L343-L394 HydrophobicContact CD1-CG 4.17Å; L390-L394 WeakPolarHBondContact O-CB 3.17Å; L390-L394 WeakPolarHBondContact O-CG 3.18Å; L390-L394 PolarHBondContact O-N 3.07Å; K391-L394 PolarHBondContact O-N 2.91Å; L394-S396 VanDerWaalsContact C-N 3.32Å; L394-Y397 PolarHBondContact O-N 2.82Å; L394-A398 VanDerWaalsContact O-CB 3.29Å; L394-A398 WeakPolarHBondContact O-CB 3.34Å; L394-A398 PolarHBondContact O-N 2.81Å; L394-V417 HydrophobicContact CD2-CG1 3.79Å; L394-V417 HydrophobicContact CD2-CG2 3.87Å; L394-Y419 WeakPolarHBondContact CD1-OH 3.22Å; L394-I436 HydrophobicContact CD1-CG2 4.28Å; L394-L441 HydrophobicContact CB-CD1 4.47Å |
| 395 | S | 70.1 | Confident | 64.4 | Low | 34 Ų | 34 | 68.4 Ų | 68.4 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | K391 E392 R393 A398 D399 | K391-S395 WeakPolarHBondContact O-CB 2.93Å; K391-S395 PolarHBondContact O-N 3.45Å; K391-S395 PolarHBondContact O-OG 3.21Å; E392-S395 WeakPolarHBondContact O-CB 3.32Å; E392-S395 PolarHBondContact O-N 2.81Å; R393-S395 VanDerWaalsContact C-N 3.28Å; R393-S395 PolarHBondContact O-N 3.08Å; S395-A398 PolarHBondContact O-N 2.94Å; S395-D399 WeakPolarHBondContact O-CB 3.26Å; S395-D399 PolarHBondContact O-N 3.16Å |
| 396 | S | 67.9 | Low | 63.3 | Low | 57 Ų | 57 | 65.9 Ų | 65.9 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | E392 R393 L394 A398 D399 N400 | E392-S396 PolarHBondContact O-N 3.11Å; R393-S396 WeakPolarHBondContact O-CB 3.43Å; R393-S396 PolarHBondContact O-N 2.8Å; R393-S396 VanDerWaalsContact O-N 3.16Å; L394-S396 VanDerWaalsContact C-N 3.32Å; S396-A398 VanDerWaalsContact C-N 3.31Å; S396-A398 PolarHBondContact O-N 2.78Å; S396-D399 PolarHBondContact O-N 2.74Å; S396-N400 WeakPolarHBondContact O-CB 3.35Å; S396-N400 PolarHBondContact O-N 3.48Å |
| 397 | Y | 69.4 | Low | 62.2 | Low | 18 Ų | 18 | 69.3 Ų | 69.3 | 7% | 0.071 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 174.4 | -67.3 | -48.6 | 0 | 0 | 0 | 112.2 | I341 L343 T377 A379 R393 L394 D399 N400 C401 | I341-Y397 HydrophobicContact CG2-CD2 4.47Å; L343-Y397 HydrophobicContact CD2-CD2 4.22Å; L343-Y397 HydrophobicContact CD2-CE2 3.85Å; T377-Y397 HydrophobicContact CG2-CD1 4.46Å; A379-Y397 HydrophobicContact CB-CE1 4.12Å; A379-Y397 HydrophobicContact CB-CE2 3.88Å; A379-Y397 VanDerWaalsContact CB-CZ 3.48Å; A379-Y397 WeakPolarHBondContact CB-OH 3.29Å; R393-Y397 HydrophobicContact CB-CE2 4.4Å; R393-Y397 HydrophobicContact CG-CD2 4.43Å; R393-Y397 HydrophobicContact CG-CE2 3.72Å; R393-Y397 VanDerWaalsContact O-CD2 3.25Å; R393-Y397 WeakPolarHBondContact O-CD2 3.46Å; R393-Y397 PolarHBondContact O-N 2.81Å; L394-Y397 PolarHBondContact O-N 2.82Å; Y397-D399 VanDerWaalsContact C-N 3.29Å; Y397-D399 PolarHBondContact O-N 3.35Å; Y397-N400 PolarHBondContact O-N 2.8Å; Y397-C401 WeakPolarHBondContact O-CB 3.34Å; Y397-C401 PolarHBondContact O-N 2.96Å; Y397-C401 PolarHBondContact O-SG 3.24Å |
| 398 | A | 66.7 | Low | 61.3 | Low | 7 Ų | 7 | 74 Ų | 74 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L394 S395 S396 Q402 I403 | L394-A398 VanDerWaalsContact O-CB 3.29Å; L394-A398 WeakPolarHBondContact O-CB 3.34Å; L394-A398 PolarHBondContact O-N 2.81Å; S395-A398 PolarHBondContact O-N 2.94Å; S396-A398 VanDerWaalsContact C-N 3.31Å; S396-A398 PolarHBondContact O-N 2.78Å; A398-Q402 PolarHBondContact O-N 3.45Å; A398-I403 HydrophobicContact CB-CB 4.35Å; A398-I403 HydrophobicContact CB-CD1 4.16Å; A398-I403 VanDerWaalsContact O-CB 3.32Å; A398-I403 WeakPolarHBondContact O-CB 3.46Å; A398-I403 PolarHBondContact O-N 2.66Å |
| 399 | D | 65.3 | Low | 60.5 | Low | 68 Ų | 68 | 73.4 Ų | 73.4 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.3 | -47.9 | 176.4 | -70.2 | -18 | 0 | 0 | 0 | 111.7 | S395 S396 Y397 C401 Q402 K404 | S395-D399 WeakPolarHBondContact O-CB 3.26Å; S395-D399 PolarHBondContact O-N 3.16Å; S396-D399 PolarHBondContact O-N 2.74Å; Y397-D399 VanDerWaalsContact C-N 3.29Å; Y397-D399 PolarHBondContact O-N 3.35Å; D399-C401 VanDerWaalsContact C-N 3.26Å; D399-C401 PolarHBondContact O-N 3.08Å; D399-Q402 WeakPolarHBondContact O-CA 3.3Å; D399-Q402 PolarHBondContact O-N 3.35Å; D399-K404 WeakPolarHBondContact OD1-CD 3.36Å; D399-K404 WeakPolarHBondContact OD1-CE 3.34Å; D399-K404 WeakPolarHBondContact OD1-CG 3.38Å; D399-K404 IonicContact OD1-NZ 3.91Å; D399-K404 PolarHBondContact OD1-NZ 2.64Å; D399-K404 IonicContact OD2-NZ 2.95Å; D399-K404 PolarHBondContact OD2-NZ 3.31Å |
| 400 | N | 59.4 | Low | 59.5 | Low | 120 Ų | 120 | 75 Ų | 75 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.5 | -33.3 | 177.7 | -70.3 | -14.2 | 0 | 0 | 0 | 112.5 | S396 Y397 Q402 | S396-N400 WeakPolarHBondContact O-CB 3.35Å; S396-N400 PolarHBondContact O-N 3.48Å; Y397-N400 PolarHBondContact O-N 2.8Å; N400-Q402 PolarHBondContact O-N 3.45Å |
| 401 | C | 58.3 | Low | 58.3 | Low | 10 Ų | 10 | 81.3 Ų | 81.3 | 7% | 0.068 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 10.1 | 174.1 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | N339 T377 Y397 D399 I403 | N339-C401 PolarHBondContact ND2-O 2.82Å; T377-C401 PolarHBondContact OG1-SG 2.83Å; Y397-C401 WeakPolarHBondContact O-CB 3.34Å; Y397-C401 PolarHBondContact O-N 2.96Å; Y397-C401 PolarHBondContact O-SG 3.24Å; D399-C401 VanDerWaalsContact C-N 3.26Å; D399-C401 PolarHBondContact O-N 3.08Å; C401-I403 HydrophobicContact CB-CD1 3.91Å; C401-I403 HydrophobicContact CB-CG1 4.01Å; C401-I403 PolarHBondContact O-N 3.16Å; C401-I403 VanDerWaalsContact O-N 3.07Å |
| 402 | Q | 57.3 | Low | 57.2 | Low | 132 Ų | 132 | 85 Ų | 85 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 30.5 | -179.2 | -58.9 | 178 | 3.5 | 0 | 0 | 113.7 | A398 D399 N400 K404 E405 | A398-Q402 PolarHBondContact O-N 3.45Å; D399-Q402 WeakPolarHBondContact O-CA 3.3Å; D399-Q402 PolarHBondContact O-N 3.35Å; N400-Q402 PolarHBondContact O-N 3.45Å; Q402-K404 PolarHBondContact O-N 2.77Å; Q402-E405 PolarHBondContact O-N 3.19Å |
| 403 | I | 56 | Low | 56.3 | Low | 27 Ų | 27 | 81.5 Ų | 81.5 | 14% | 0.138 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.2 | 179.9 | -67.2 | 163.4 | 0 | 0 | 0 | 111 | N339 I341 A398 C401 A415 | N339-I403 HydrophobicContact CB-CD1 4.01Å; N339-I403 HydrophobicContact CB-CG1 4.18Å; N339-I403 VanDerWaalsContact ND2-CG1 3.35Å; N339-I403 WeakPolarHBondContact ND2-CG1 3.28Å; I341-I403 HydrophobicContact CD1-CD1 4.26Å; A398-I403 HydrophobicContact CB-CB 4.35Å; A398-I403 HydrophobicContact CB-CD1 4.16Å; A398-I403 VanDerWaalsContact O-CB 3.32Å; A398-I403 WeakPolarHBondContact O-CB 3.46Å; A398-I403 PolarHBondContact O-N 2.66Å; C401-I403 HydrophobicContact CB-CD1 3.91Å; C401-I403 HydrophobicContact CB-CG1 4.01Å; C401-I403 PolarHBondContact O-N 3.16Å; C401-I403 VanDerWaalsContact O-N 3.07Å; I403-A415 HydrophobicContact CD1-CB 3.35Å; I403-A415 HydrophobicContact CG1-CB 4.05Å; I403-A415 HydrophobicContact CG2-CB 4.24Å |
| 404 | K | 50.3 | Low | 55.9 | Low | 135 Ų | 135 | 81.8 Ų | 81.8 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.5 | -179.9 | -67.3 | -166.3 | -171.1 | 146.3 | 0 | 115.3 | D399 Q402 T406 | D399-K404 WeakPolarHBondContact OD1-CD 3.36Å; D399-K404 WeakPolarHBondContact OD1-CE 3.34Å; D399-K404 WeakPolarHBondContact OD1-CG 3.38Å; D399-K404 IonicContact OD1-NZ 3.91Å; D399-K404 PolarHBondContact OD1-NZ 2.64Å; D399-K404 IonicContact OD2-NZ 2.95Å; D399-K404 PolarHBondContact OD2-NZ 3.31Å; Q402-K404 PolarHBondContact O-N 2.77Å; K404-T406 PolarHBondContact O-N 3.05Å |
| 405 | E | 45.6 | Very low | 55.8 | Low | 152 Ų | 152 | 81.9 Ų | 81.9 | 71% | 0.71 | 45% | 0.449 | S | S | * | . | trans | -85 | 110.4 | -174.8 | -67.5 | -165.7 | 175.7 | 0 | 0 | 111.4 | Q402 | Q402-E405 PolarHBondContact O-N 3.19Š| ||
| 406 | T | 43.7 | Very low | 56.5 | Low | 74 Ų | 74 | 80.6 Ų | 80.6 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | trans | -129.1 | 141.3 | 168 | 38.6 | 0 | 0 | 0 | 0 | 111 | K404 | K404-T406 PolarHBondContact O-N 3.05Š| ||
| 407 | K | 43.1 | Very low | 57.4 | Low | 173 Ų | 173 | 77.9 Ų | 77.9 | 75% | 0.752 | 42% | 0.421 | S | S | * | . | trans | -66 | 149 | 167.5 | -69.9 | 178.1 | -179.6 | 173.2 | 0 | 109.8 | G409 | K407-G409 PolarHBondContact O-N 2.86Š| ||
| 408 | P | 40.3 | Very low | 58.4 | Low | 141 Ų | 141 | 77 Ų | 77 | 92% | 0.916 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 129.2 | 177.4 | -8.6 | 15.9 | 0 | 0 | 0 | 111.2 | ||
| 409 | G | 45.5 | Very low | 59.4 | Low | 87 Ų | 87 | 76.8 Ų | 76.8 | 90% | 0.897 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103 | -4.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | K407 | K407-G409 PolarHBondContact O-N 2.86Š|
| 410 | V | 47.3 | Very low | 60.6 | Low | 62 Ų | 62 | 73.5 Ų | 73.5 | 38% | 0.376 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 130.1 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 411 | T | 47.3 | Very low | 61.9 | Low | 134 Ų | 134 | 67.8 Ų | 67.8 | 82% | 0.822 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 136.6 | 174.4 | 33.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 412 | R | 48.5 | Very low | 63 | Low | 168 Ų | 168 | 67.4 Ų | 67.4 | 63% | 0.634 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 129.6 | -166.6 | -151.3 | 167 | -169.5 | -159.8 | 4 | 113.9 | N440 | R412-N440 WeakPolarHBondContact CD-OD1 3.11Å; R412-N440 VanDerWaalsContact CZ-CG 3.46Å; R412-N440 VanDerWaalsContact NE-CG 3.33Å; R412-N440 PolarHBondContact NE-ND2 3.4Å; R412-N440 PolarHBondContact NE-OD1 3Å; R412-N440 VanDerWaalsContact NE-OD1 3.16Å; R412-N440 PolarHBondContact NH1-OD1 3.34Å; R412-N440 PolarHBondContact NH2-ND2 3.45Å; R412-N440 VanDerWaalsContact NH2-ND2 3.2Å |
| 413 | K | 54 | Low | 64.2 | Low | 61 Ų | 61 | 63.8 Ų | 63.8 | 27% | 0.265 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 136.6 | 172 | -61 | -174.3 | -156.5 | 176.5 | 0 | 110.7 | N335 | N335-K413 WeakPolarHBondContact O-CE 3.32Å; N335-K413 PolarHBondContact O-NZ 2.9Å |
| 414 | S | 62.4 | Low | 65.5 | Low | 57 Ų | 57 | 65.9 Ų | 65.9 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -98.2 | 124.9 | 166.5 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | N440 | S414-N440 CarbonylContact C-O 3.52Å; S414-N440 VanDerWaalsContact CA-O 3.24Å; S414-N440 WeakPolarHBondContact CA-O 3.25Å |
| 415 | A | 73.4 | Confident | 67.1 | Low | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 153 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | N339 I403 N440 L441 K442 | N339-A415 HydrophobicContact CB-CB 3.94Å; N339-A415 WeakPolarHBondContact O-CA 3.4Å; N339-A415 WeakPolarHBondContact O-CB 3.41Å; I403-A415 HydrophobicContact CD1-CB 3.35Å; I403-A415 HydrophobicContact CG1-CB 4.05Å; I403-A415 HydrophobicContact CG2-CB 4.24Å; A415-N440 PolarHBondContact N-O 3.21Å; A415-L441 HydrophobicContact CB-CD2 3.62Å; A415-L441 WeakPolarHBondContact O-CA 3.14Å; A415-K442 PolarHBondContact O-N 2.89Å |
| 416 | S | 84.3 | Confident | 69 | Low | 7 Ų | 7 | 52.3 Ų | 52.3 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.7 | 178.9 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | N339 V340 I341 K442 N483 | N339-S416 PolarHBondContact O-N 2.94Å; V340-S416 CarbonylContact C-O 3.57Å; V340-S416 WeakPolarHBondContact CA-O 3.16Å; I341-S416 PolarHBondContact N-O 3.11Å; S416-K442 CarbonylContact C-O 3.46Å; S416-K442 WeakPolarHBondContact CA-O 2.99Å; S416-N483 PolarHBondContact OG-ND2 2.75Å |
| 417 | V | 87.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.2 | 173 | -179.8 | 0 | 0 | 0 | 0 | 108 | I341 L343 L394 Y419 L441 K442 T443 Y444 | I341-V417 HydrophobicContact CB-CG2 4.35Å; I341-V417 HydrophobicContact CD1-CG2 4.42Å; I341-V417 CarbonylContact O-C 3.49Å; I341-V417 VanDerWaalsContact O-CA 3.32Å; I341-V417 WeakPolarHBondContact O-CA 3.46Å; L343-V417 HydrophobicContact CD1-CG1 4.19Å; L343-V417 HydrophobicContact CG-CG1 4.44Å; L394-V417 HydrophobicContact CD2-CG1 3.79Å; L394-V417 HydrophobicContact CD2-CG2 3.87Å; V417-Y419 HydrophobicContact CG1-CD2 4.07Å; V417-Y419 HydrophobicContact CG1-CE2 3.72Å; V417-L441 HydrophobicContact CG2-CB 4.07Å; V417-L441 HydrophobicContact CG2-CD1 3.89Å; V417-L441 HydrophobicContact CG2-CD2 4.24Å; V417-L441 HydrophobicContact CG2-CG 4.29Å; V417-K442 PolarHBondContact N-O 3.34Å; V417-T443 CarbonylContact O-C 3.52Å; V417-T443 WeakPolarHBondContact O-CA 3.25Å; V417-Y444 PolarHBondContact O-N 2.89Å |
| 418 | V | 90 | Very high | 72.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | V340 I341 I342 L343 L363 I420 Y444 L446 L476 L480 | V340-V418 HydrophobicContact CG1-CG2 4.16Å; I341-V418 PolarHBondContact O-N 3.49Å; I342-V418 CarbonylContact C-O 3.55Å; I342-V418 WeakPolarHBondContact CA-O 3.38Å; I342-V418 HydrophobicContact CG1-CB 4.45Å; L343-V418 PolarHBondContact N-O 3.24Å; L363-V418 HydrophobicContact CD2-CB 4.23Å; L363-V418 HydrophobicContact CD2-CG1 3.84Å; L363-V418 HydrophobicContact CD2-CG2 4.09Å; V418-I420 HydrophobicContact CG1-CG1 4.28Å; V418-Y444 CarbonylContact C-O 3.46Å; V418-Y444 WeakPolarHBondContact CA-O 3.19Å; V418-L446 HydrophobicContact CG1-CB 4.39Å; V418-L476 HydrophobicContact CG1-CD2 3.83Å; V418-L480 HydrophobicContact CG2-CD1 4.11Å; V418-L480 HydrophobicContact CG2-CD2 3.98Å |
| 419 | Y | 89.2 | Confident | 74.8 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.6 | 171.6 | -69.6 | -84.8 | 0 | 0 | 0 | 110.1 | L343 L384 L390 L394 V417 L429 I436 T443 Y444 F445 L446 | L343-Y419 HydrophobicContact CB-CD1 3.81Å; L343-Y419 HydrophobicContact CB-CE1 4.19Å; L343-Y419 HydrophobicContact CD1-CD1 3.82Å; L343-Y419 HydrophobicContact CD1-CE1 3.3Å; L343-Y419 HydrophobicContact CG-CD1 4.4Å; L343-Y419 HydrophobicContact CG-CE1 4.33Å; L384-Y419 HydrophobicContact CD1-CD1 3.82Å; L384-Y419 HydrophobicContact CD2-CD1 4.34Å; L384-Y419 HydrophobicContact CD2-CE1 4.39Å; L390-Y419 HydrophobicContact CD2-CE1 4.46Å; L394-Y419 WeakPolarHBondContact CD1-OH 3.22Å; V417-Y419 HydrophobicContact CG1-CD2 4.07Å; V417-Y419 HydrophobicContact CG1-CE2 3.72Å; Y419-L429 HydrophobicContact CD1-CD1 4.35Å; Y419-I436 VanDerWaalsContact OH-CG2 3.28Å; Y419-I436 WeakPolarHBondContact OH-CG2 3.43Å; Y419-T443 HydrophobicContact CD2-CG2 3.49Å; Y419-T443 VanDerWaalsContact CD2-CG2 3.49Å; Y419-T443 HydrophobicContact CE2-CG2 3.38Å; Y419-Y444 PolarHBondContact N-O 3.15Å; Y419-F445 AromaticContact CD2-CD1 4Å; Y419-F445 HydrophobicContact CD2-CD1 4Å; Y419-F445 AromaticContact CD2-CE1 3.52Å; Y419-F445 HydrophobicContact CD2-CE1 3.52Å; Y419-F445 HydrophobicContact CD2-CZ 4.02Å; Y419-F445 HydrophobicContact CE2-CE1 4.23Å; Y419-F445 HydrophobicContact CE2-CZ 4.44Å; Y419-F445 HydrophobicContact CG-CD1 4.07Å; Y419-F445 AromaticContact CG-CE1 3.83Å; Y419-F445 HydrophobicContact CG-CE1 3.83Å; Y419-F445 CarbonylContact O-C 3.55Å; Y419-F445 WeakPolarHBondContact O-CA 3.29Å; Y419-L446 PolarHBondContact O-N 3.11Å |
| 420 | I | 89 | Confident | 76.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 109.8 | 174.1 | -46 | -170.8 | 0 | 0 | 0 | 108.6 | I342 L343 L344 D345 R356 A359 A360 V418 L446 T448 | I342-I420 HydrophobicContact CG2-CD1 3.67Å; I342-I420 HydrophobicContact CG2-CG1 4.01Å; L343-I420 PolarHBondContact O-N 3.13Å; L344-I420 HydrophobicContact CD2-CB 4.04Å; L344-I420 HydrophobicContact CD2-CD1 3.93Å; L344-I420 HydrophobicContact CD2-CG1 4.34Å; L344-I420 HydrophobicContact CD2-CG2 4.44Å; D345-I420 VanDerWaalsContact CB-O 3.25Å; D345-I420 WeakPolarHBondContact CB-O 3.4Å; D345-I420 PolarHBondContact N-O 3.22Å; R356-I420 HydrophobicContact CB-CG2 3.79Å; R356-I420 HydrophobicContact CG-CG2 3.91Å; A359-I420 HydrophobicContact CB-CG2 4.16Å; A360-I420 VanDerWaalsContact CA-CD1 3.46Å; A360-I420 HydrophobicContact CB-CD1 3.6Å; V418-I420 HydrophobicContact CG1-CG1 4.28Å; I420-L446 VanDerWaalsContact CA-O 3.31Å; I420-L446 WeakPolarHBondContact CA-O 3.25Å; I420-L446 HydrophobicContact CD1-CD2 4.1Å; I420-L446 HydrophobicContact CG1-CB 4.21Å; I420-L446 HydrophobicContact CG1-CD2 4.31Å; I420-L446 HydrophobicContact CG2-CB 4.41Å; I420-L446 HydrophobicContact CG2-CD2 4.4Å; I420-T448 HydrophobicContact CG2-CG2 3.86Å |
| 421 | T | 86.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | -173.5 | -168.6 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | D345 T425 A426 L446 T447 T448 | D345-T421 PolarHBondContact OD2-OG1 2.93Å; T421-T425 HydrophobicContact CG2-CG2 4.2Å; T421-T425 WeakPolarHBondContact OG1-CB 3.19Å; T421-T425 VanDerWaalsContact OG1-CG2 3.26Å; T421-T425 WeakPolarHBondContact OG1-CG2 3.27Å; T421-A426 HydrophobicContact CG2-CB 3.91Å; T421-L446 PolarHBondContact N-O 3.19Å; T421-T447 VanDerWaalsContact O-CA 3.32Å; T421-T447 WeakPolarHBondContact O-CA 3.17Å; T421-T448 PolarHBondContact O-N 3.16Å |
| 422 | S | 82.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | trans | -69.9 | 157.7 | 170.7 | 58 | 0 | 0 | 0 | 0 | 112.1 | S424 T425 A426 D449 | S422-S424 VanDerWaalsContact C-N 3.34Å; S422-S424 PolarHBondContact O-N 3.43Å; S422-S424 PolarHBondContact OG-OG 2.78Å; S422-S424 VanDerWaalsContact OG-OG 3.09Å; S422-T425 PolarHBondContact O-N 3.09Å; S422-T425 VanDerWaalsContact OG-CB 3.25Å; S422-T425 WeakPolarHBondContact OG-CB 3.25Å; S422-T425 PolarHBondContact OG-N 3.24Å; S422-T425 PolarHBondContact OG-OG1 2.96Å; S422-A426 WeakPolarHBondContact O-CB 3.4Å; S422-A426 PolarHBondContact O-N 3.17Å; S422-D449 WeakPolarHBondContact CA-OD2 3.45Å; S422-D449 WeakPolarHBondContact CB-OD2 3.36Å | ||
| 423 | E | 82.4 | Confident | 81.1 | Confident | 55 Ų | 55 | 28 Ų | 28 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 174.3 | -173.7 | 176.7 | -166.5 | 0 | 0 | 111.2 | T425 A426 E427 T447 T450 R459 | E423-T425 VanDerWaalsContact C-N 3.31Å; E423-T425 PolarHBondContact O-N 3.14Å; E423-A426 PolarHBondContact O-N 3.38Å; E423-E427 WeakPolarHBondContact O-CG 3.28Å; E423-E427 PolarHBondContact O-N 3.44Å; E423-T447 HydrophobicContact CB-CG2 4.28Å; E423-T450 WeakPolarHBondContact OE2-CG2 3.31Å; E423-R459 IonicContact OE1-CZ 2.83Å; E423-R459 IonicContact OE1-NH1 3.17Å; E423-R459 PolarHBondContact OE1-NH1 3.41Å |
| 424 | S | 81.9 | Confident | 82.2 | Confident | 71 Ų | 71 | 29.7 Ų | 29.7 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.2 | -39.9 | 176.8 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | S422 S428 | S422-S424 VanDerWaalsContact C-N 3.34Å; S422-S424 PolarHBondContact O-N 3.43Å; S422-S424 PolarHBondContact OG-OG 2.78Å; S422-S424 VanDerWaalsContact OG-OG 3.09Å; S424-S428 WeakPolarHBondContact O-CB 3.34Å; S424-S428 PolarHBondContact O-N 3.34Å; S424-S428 VanDerWaalsContact O-N 3.14Å |
| 425 | T | 84.4 | Confident | 82.7 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -77.5 | -39 | 179.9 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | L384 Q385 T421 S422 E423 E427 S428 L429 | L384-T425 HydrophobicContact CB-CG2 4.25Å; Q385-T425 HydrophobicContact CG-CG2 4.47Å; T421-T425 HydrophobicContact CG2-CG2 4.2Å; T421-T425 WeakPolarHBondContact OG1-CB 3.19Å; T421-T425 VanDerWaalsContact OG1-CG2 3.26Å; T421-T425 WeakPolarHBondContact OG1-CG2 3.27Å; S422-T425 PolarHBondContact O-N 3.09Å; S422-T425 VanDerWaalsContact OG-CB 3.25Å; S422-T425 WeakPolarHBondContact OG-CB 3.25Å; S422-T425 PolarHBondContact OG-N 3.24Å; S422-T425 PolarHBondContact OG-OG1 2.96Å; E423-T425 VanDerWaalsContact C-N 3.31Å; E423-T425 PolarHBondContact O-N 3.14Å; T425-E427 PolarHBondContact O-N 2.89Å; T425-S428 PolarHBondContact O-N 3.28Å; T425-L429 HydrophobicContact CG2-CD1 3.85Å; T425-L429 HydrophobicContact CG2-CG 4.26Å; T425-L429 WeakPolarHBondContact O-CB 3.26Å; T425-L429 VanDerWaalsContact O-CG 3.27Å; T425-L429 WeakPolarHBondContact O-CG 3.41Å; T425-L429 PolarHBondContact O-N 3.23Å |
| 426 | A | 85 | Confident | 82.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T421 S422 E423 L429 A430 F445 T447 I467 | T421-A426 HydrophobicContact CG2-CB 3.91Å; S422-A426 WeakPolarHBondContact O-CB 3.4Å; S422-A426 PolarHBondContact O-N 3.17Å; E423-A426 PolarHBondContact O-N 3.38Å; A426-L429 PolarHBondContact O-N 2.91Å; A426-A430 WeakPolarHBondContact O-CB 3.39Å; A426-A430 PolarHBondContact O-N 3.39Å; A426-F445 HydrophobicContact CB-CB 3.89Å; A426-F445 HydrophobicContact CB-CD1 3.96Å; A426-F445 HydrophobicContact CB-CG 4.09Å; A426-T447 HydrophobicContact CB-CG2 3.64Å; A426-I467 HydrophobicContact CB-CD1 4.4Å; A426-I467 HydrophobicContact CB-CG2 4.37Å |
| 427 | E | 83.5 | Confident | 81.7 | Confident | 93 Ų | 93 | 34 Ų | 34 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.4 | -72.3 | -176.5 | 160.6 | 0 | 0 | 112 | E423 T425 L429 A430 A431 R459 I467 | E423-E427 WeakPolarHBondContact O-CG 3.28Å; E423-E427 PolarHBondContact O-N 3.44Å; T425-E427 PolarHBondContact O-N 2.89Å; E427-L429 PolarHBondContact O-N 2.94Å; E427-A430 PolarHBondContact O-N 3.17Å; E427-A431 WeakPolarHBondContact O-CB 3.5Å; E427-A431 PolarHBondContact O-N 3.45Å; E427-R459 IonicContact OE1-NH1 2.65Å; E427-I467 HydrophobicContact CG-CD1 4.2Å |
| 428 | S | 83.1 | Confident | 80.7 | Confident | 58 Ų | 58 | 34.5 Ų | 34.5 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -44 | 177.4 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | S424 T425 N432 | S424-S428 WeakPolarHBondContact O-CB 3.34Å; S424-S428 PolarHBondContact O-N 3.34Å; S424-S428 VanDerWaalsContact O-N 3.14Å; T425-S428 PolarHBondContact O-N 3.28Å; S428-N432 PolarHBondContact O-N 2.89Å; S428-N432 PolarHBondContact O-ND2 3.32Å |
| 429 | L | 83.4 | Confident | 79.5 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 177.8 | -73.9 | 173.8 | 0 | 0 | 0 | 112.2 | L384 L390 Y419 T425 A426 E427 A431 N432 L433 I436 F445 | L384-L429 HydrophobicContact CB-CD1 4.1Å; L384-L429 HydrophobicContact CD1-CD1 4.47Å; L384-L429 WeakPolarHBondContact O-CD2 3.28Å; L390-L429 HydrophobicContact CD1-CD2 4.16Å; Y419-L429 HydrophobicContact CD1-CD1 4.35Å; T425-L429 HydrophobicContact CG2-CD1 3.85Å; T425-L429 HydrophobicContact CG2-CG 4.26Å; T425-L429 WeakPolarHBondContact O-CB 3.26Å; T425-L429 VanDerWaalsContact O-CG 3.27Å; T425-L429 WeakPolarHBondContact O-CG 3.41Å; T425-L429 PolarHBondContact O-N 3.23Å; A426-L429 PolarHBondContact O-N 2.91Å; E427-L429 PolarHBondContact O-N 2.94Å; L429-A431 VanDerWaalsContact C-N 3.33Å; L429-A431 PolarHBondContact O-N 2.87Å; L429-N432 CarbonylContact O-C 3.36Å; L429-N432 PolarHBondContact O-N 3.46Å; L429-N432 VanDerWaalsContact O-N 3.12Å; L429-L433 PolarHBondContact O-N 3.45Å; L429-L433 VanDerWaalsContact O-N 3.07Å; L429-I436 HydrophobicContact CD2-CD1 3.21Å; L429-F445 HydrophobicContact CB-CD1 4.47Å; L429-F445 HydrophobicContact CB-CE1 3.44Å; L429-F445 VanDerWaalsContact CB-CE1 3.44Å; L429-F445 HydrophobicContact CB-CZ 3.74Å; L429-F445 HydrophobicContact CD1-CE1 3.91Å; L429-F445 HydrophobicContact CG-CE1 4.33Å |
| 430 | A | 83.1 | Confident | 78.3 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A426 E427 N432 L433 F445 P461 I467 | A426-A430 WeakPolarHBondContact O-CB 3.39Å; A426-A430 PolarHBondContact O-N 3.39Å; E427-A430 PolarHBondContact O-N 3.17Å; A430-N432 PolarHBondContact O-N 2.94Å; A430-L433 PolarHBondContact O-N 2.88Å; A430-F445 HydrophobicContact CB-CD2 4.28Å; A430-F445 HydrophobicContact CB-CE2 3.78Å; A430-F445 HydrophobicContact CB-CZ 4.24Å; A430-P461 HydrophobicContact CB-CB 4.15Å; A430-P461 HydrophobicContact CB-CG 3.69Å; A430-I467 HydrophobicContact CB-CD1 4.2Å |
| 431 | A | 81.1 | Confident | 77.5 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 65% | 0.653 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.5 | -30.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E427 L429 | E427-A431 WeakPolarHBondContact O-CB 3.5Å; E427-A431 PolarHBondContact O-N 3.45Å; L429-A431 VanDerWaalsContact C-N 3.33Å; L429-A431 PolarHBondContact O-N 2.87Å |
| 432 | N | 79.2 | Confident | 77.3 | Confident | 74 Ų | 74 | 45.9 Ų | 45.9 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 18.9 | -177.9 | -68.5 | -55.3 | 0 | 0 | 0 | 113.7 | S428 L429 A430 S434 H435 I436 | S428-N432 PolarHBondContact O-N 2.89Å; S428-N432 PolarHBondContact O-ND2 3.32Å; L429-N432 CarbonylContact O-C 3.36Å; L429-N432 PolarHBondContact O-N 3.46Å; L429-N432 VanDerWaalsContact O-N 3.12Å; A430-N432 PolarHBondContact O-N 2.94Å; N432-S434 PolarHBondContact O-N 2.9Å; N432-S434 VanDerWaalsContact O-N 3.11Å; N432-H435 WeakPolarHBondContact O-CB 3.1Å; N432-H435 PolarHBondContact O-N 3.32Å; N432-I436 HydrophobicContact CB-CD1 4.45Å |
| 433 | L | 78 | Confident | 77.4 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -33.8 | -170 | -148.2 | 102.6 | 0 | 0 | 0 | 113.5 | L429 A430 H435 I436 S437 T443 F445 S464 | L429-L433 PolarHBondContact O-N 3.45Å; L429-L433 VanDerWaalsContact O-N 3.07Å; A430-L433 PolarHBondContact O-N 2.88Å; L433-H435 PolarHBondContact O-N 3.25Å; L433-I436 PolarHBondContact O-N 3.2Å; L433-I436 VanDerWaalsContact O-N 3.16Å; L433-S437 VanDerWaalsContact O-CB 3.23Å; L433-S437 WeakPolarHBondContact O-CB 3.32Å; L433-S437 PolarHBondContact O-N 3.5Å; L433-T443 HydrophobicContact CD1-CG2 3.8Å; L433-F445 HydrophobicContact CD1-CE2 3.61Å; L433-F445 HydrophobicContact CD1-CZ 3.68Å; L433-S464 VanDerWaalsContact CD2-CB 3.5Å; L433-S464 VanDerWaalsContact CD2-OG 3.25Å; L433-S464 WeakPolarHBondContact CD2-OG 3.28Å |
| 434 | S | 76 | Confident | 77.7 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 67% | 0.671 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.6 | -24.8 | 176.6 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | N432 | N432-S434 PolarHBondContact O-N 2.9Å; N432-S434 VanDerWaalsContact O-N 3.11Å |
| 435 | H | 72.2 | Confident | 78.1 | Confident | 118 Ų | 118 | 40 Ų | 40 | 55% | 0.546 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -89.4 | -23.3 | 179.3 | -64.5 | -74.4 | 0 | 0 | 0 | 113 | K391 N432 L433 | K391-H435 WeakPolarHBondContact CD-O 3.47Å; N432-H435 WeakPolarHBondContact O-CB 3.1Å; N432-H435 PolarHBondContact O-N 3.32Å; L433-H435 PolarHBondContact O-N 3.25Å |
| 436 | I | 69.2 | Low | 78.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -107.7 | -34.7 | -169 | -55.5 | 177.5 | 0 | 0 | 0 | 111.7 | L390 L394 Y419 L429 N432 L433 | L390-I436 HydrophobicContact CB-CG2 4.19Å; L394-I436 HydrophobicContact CD1-CG2 4.28Å; Y419-I436 VanDerWaalsContact OH-CG2 3.28Å; Y419-I436 WeakPolarHBondContact OH-CG2 3.43Å; L429-I436 HydrophobicContact CD2-CD1 3.21Å; N432-I436 HydrophobicContact CB-CD1 4.45Å; L433-I436 PolarHBondContact O-N 3.2Å; L433-I436 VanDerWaalsContact O-N 3.16Å |
| 437 | S | 68.7 | Low | 78.3 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 135.9 | -177 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | L433 L441 | L433-S437 VanDerWaalsContact O-CB 3.23Å; L433-S437 WeakPolarHBondContact O-CB 3.32Å; L433-S437 PolarHBondContact O-N 3.5Å; S437-L441 PolarHBondContact OG-O 3.31Å |
| 438 | A | 66.6 | Low | 78 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -91.6 | 151.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | N440 L441 | A438-N440 PolarHBondContact O-N 2.83Å; A438-L441 HydrophobicContact CB-CD1 3.69Å; A438-L441 HydrophobicContact CB-CG 4.11Å; A438-L441 PolarHBondContact O-N 3.12Å; A438-L441 VanDerWaalsContact O-N 3.08Å |
| 439 | P | 63.3 | Low | 77.4 | Confident | 99 Ų | 99 | 37.4 Ų | 37.4 | 64% | 0.643 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 135.4 | 176.5 | 19.8 | -30.1 | 0 | 0 | 0 | 111.3 | L441 | P439-L441 VanDerWaalsContact C-N 3.3Å; P439-L441 PolarHBondContact O-N 2.89Å |
| 440 | N | 65.4 | Low | 76.2 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 15.6 | -175.6 | -22.8 | -67.5 | 0 | 0 | 0 | 116.2 | R412 S414 A415 A438 | R412-N440 WeakPolarHBondContact CD-OD1 3.11Å; R412-N440 VanDerWaalsContact CZ-CG 3.46Å; R412-N440 VanDerWaalsContact NE-CG 3.33Å; R412-N440 PolarHBondContact NE-ND2 3.4Å; R412-N440 PolarHBondContact NE-OD1 3Å; R412-N440 VanDerWaalsContact NE-OD1 3.16Å; R412-N440 PolarHBondContact NH1-OD1 3.34Å; R412-N440 PolarHBondContact NH2-ND2 3.45Å; R412-N440 VanDerWaalsContact NH2-ND2 3.2Å; S414-N440 CarbonylContact C-O 3.52Å; S414-N440 VanDerWaalsContact CA-O 3.24Å; S414-N440 WeakPolarHBondContact CA-O 3.25Å; A415-N440 PolarHBondContact N-O 3.21Å; A438-N440 PolarHBondContact O-N 2.83Å |
| 441 | L | 72.2 | Confident | 74.6 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.6 | 165.6 | -62.1 | -174.9 | 0 | 0 | 0 | 109.6 | L394 A415 V417 S437 A438 P439 | L394-L441 HydrophobicContact CB-CD1 4.47Å; A415-L441 HydrophobicContact CB-CD2 3.62Å; A415-L441 WeakPolarHBondContact O-CA 3.14Å; V417-L441 HydrophobicContact CG2-CB 4.07Å; V417-L441 HydrophobicContact CG2-CD1 3.89Å; V417-L441 HydrophobicContact CG2-CD2 4.24Å; V417-L441 HydrophobicContact CG2-CG 4.29Å; S437-L441 PolarHBondContact OG-O 3.31Å; A438-L441 HydrophobicContact CB-CD1 3.69Å; A438-L441 HydrophobicContact CB-CG 4.11Å; A438-L441 PolarHBondContact O-N 3.12Å; A438-L441 VanDerWaalsContact O-N 3.08Å; P439-L441 VanDerWaalsContact C-N 3.3Å; P439-L441 PolarHBondContact O-N 2.89Å |
| 442 | K | 81.4 | Confident | 72.6 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.3 | 170.9 | -165.5 | 170.8 | 178.6 | -172.3 | 0 | 109.5 | A415 S416 V417 Y444 N483 | A415-K442 PolarHBondContact O-N 2.89Å; S416-K442 CarbonylContact C-O 3.46Å; S416-K442 WeakPolarHBondContact CA-O 2.99Å; V417-K442 PolarHBondContact N-O 3.34Å; K442-Y444 HydrophobicContact CB-CE2 3.94Å; K442-Y444 HydrophobicContact CD-CE2 4.01Å; K442-Y444 VanDerWaalsContact CD-OH 3.27Å; K442-Y444 WeakPolarHBondContact CD-OH 3.22Å; K442-Y444 VanDerWaalsContact CE-OH 3.31Å; K442-Y444 WeakPolarHBondContact CE-OH 3.38Å; K442-Y444 HydrophobicContact CG-CE2 3.72Å; K442-Y444 PolarHBondContact NZ-OH 2.63Å; K442-Y444 WeakPolarHBondContact O-CD2 3.48Å; K442-N483 WeakPolarHBondContact CB-ND2 3.44Å; K442-N483 HydrophobicContact CD-CB 4.03Å; K442-N483 WeakPolarHBondContact CD-ND2 3.41Å; K442-N483 WeakPolarHBondContact CD-OD1 3.46Å; K442-N483 PolarHBondContact NZ-OD1 3.26Å |
| 443 | T | 86.3 | Confident | 70.8 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.7 | -171.7 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | V417 Y419 L433 F445 | V417-T443 CarbonylContact O-C 3.52Å; V417-T443 WeakPolarHBondContact O-CA 3.25Å; Y419-T443 HydrophobicContact CD2-CG2 3.49Å; Y419-T443 VanDerWaalsContact CD2-CG2 3.49Å; Y419-T443 HydrophobicContact CE2-CG2 3.38Å; L433-T443 HydrophobicContact CD1-CG2 3.8Å; T443-F445 HydrophobicContact CG2-CD2 4.44Å; T443-F445 HydrophobicContact CG2-CE1 4.36Å; T443-F445 HydrophobicContact CG2-CE2 3.71Å; T443-F445 HydrophobicContact CG2-CZ 3.66Å |
| 444 | Y | 88.6 | Confident | 68.8 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.2 | 176.7 | -58.3 | -97 | 0 | 0 | 0 | 108.8 | V417 V418 Y419 K442 L466 F468 L476 A479 L480 N483 | V417-Y444 PolarHBondContact O-N 2.89Å; V418-Y444 CarbonylContact C-O 3.46Å; V418-Y444 WeakPolarHBondContact CA-O 3.19Å; Y419-Y444 PolarHBondContact N-O 3.15Å; K442-Y444 HydrophobicContact CB-CE2 3.94Å; K442-Y444 HydrophobicContact CD-CE2 4.01Å; K442-Y444 VanDerWaalsContact CD-OH 3.27Å; K442-Y444 WeakPolarHBondContact CD-OH 3.22Å; K442-Y444 VanDerWaalsContact CE-OH 3.31Å; K442-Y444 WeakPolarHBondContact CE-OH 3.38Å; K442-Y444 HydrophobicContact CG-CE2 3.72Å; K442-Y444 PolarHBondContact NZ-OH 2.63Å; K442-Y444 WeakPolarHBondContact O-CD2 3.48Å; Y444-L466 HydrophobicContact CD1-CB 4.27Å; Y444-L466 HydrophobicContact CD1-CD1 4.36Å; Y444-L466 HydrophobicContact CE1-CD1 4.03Å; Y444-F468 AromaticContact CD1-CE2 3.86Å; Y444-F468 HydrophobicContact CD1-CE2 3.86Å; Y444-F468 HydrophobicContact CD1-CZ 4.49Å; Y444-L476 HydrophobicContact CD1-CD1 3.81Å; Y444-L476 HydrophobicContact CG-CD1 3.91Å; Y444-A479 HydrophobicContact CD1-CB 4.36Å; Y444-A479 HydrophobicContact CE1-CB 3.73Å; Y444-A479 PolarHBondContact OH-O 3.2Å; Y444-L480 HydrophobicContact CD2-CD2 3.71Å; Y444-L480 HydrophobicContact CE2-CD2 3.67Å; Y444-L480 HydrophobicContact CG-CD2 4.26Å; Y444-N483 VanDerWaalsContact OH-CB 3.3Å; Y444-N483 WeakPolarHBondContact OH-CB 3.44Å |
| 445 | F | 88.8 | Confident | 66.9 | Low | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.9 | 176.6 | -60.4 | -89.4 | 0 | 0 | 0 | 109.8 | Y419 A426 L429 A430 L433 T443 L466 I467 F468 | Y419-F445 AromaticContact CD2-CD1 4Å; Y419-F445 HydrophobicContact CD2-CD1 4Å; Y419-F445 AromaticContact CD2-CE1 3.52Å; Y419-F445 HydrophobicContact CD2-CE1 3.52Å; Y419-F445 HydrophobicContact CD2-CZ 4.02Å; Y419-F445 HydrophobicContact CE2-CE1 4.23Å; Y419-F445 HydrophobicContact CE2-CZ 4.44Å; Y419-F445 HydrophobicContact CG-CD1 4.07Å; Y419-F445 AromaticContact CG-CE1 3.83Å; Y419-F445 HydrophobicContact CG-CE1 3.83Å; Y419-F445 CarbonylContact O-C 3.55Å; Y419-F445 WeakPolarHBondContact O-CA 3.29Å; A426-F445 HydrophobicContact CB-CB 3.89Å; A426-F445 HydrophobicContact CB-CD1 3.96Å; A426-F445 HydrophobicContact CB-CG 4.09Å; L429-F445 HydrophobicContact CB-CD1 4.47Å; L429-F445 HydrophobicContact CB-CE1 3.44Å; L429-F445 VanDerWaalsContact CB-CE1 3.44Å; L429-F445 HydrophobicContact CB-CZ 3.74Å; L429-F445 HydrophobicContact CD1-CE1 3.91Å; L429-F445 HydrophobicContact CG-CE1 4.33Å; A430-F445 HydrophobicContact CB-CD2 4.28Å; A430-F445 HydrophobicContact CB-CE2 3.78Å; A430-F445 HydrophobicContact CB-CZ 4.24Å; L433-F445 HydrophobicContact CD1-CE2 3.61Å; L433-F445 HydrophobicContact CD1-CZ 3.68Å; T443-F445 HydrophobicContact CG2-CD2 4.44Å; T443-F445 HydrophobicContact CG2-CE1 4.36Å; T443-F445 HydrophobicContact CG2-CE2 3.71Å; T443-F445 HydrophobicContact CG2-CZ 3.66Å; F445-L466 PolarHBondContact N-O 2.87Å; F445-I467 HydrophobicContact CB-CB 4.39Å; F445-I467 HydrophobicContact CB-CG1 4.08Å; F445-I467 HydrophobicContact CB-CG2 4.3Å; F445-I467 HydrophobicContact CD2-CG1 4.12Å; F445-I467 HydrophobicContact CG-CG1 4.36Å; F445-F468 PolarHBondContact O-N 2.65Å |
| 446 | L | 87.6 | Confident | 65.2 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.7 | 173.2 | -173.7 | 63.7 | 0 | 0 | 0 | 108.7 | A359 V418 Y419 I420 T421 F468 S469 V473 L476 | A359-L446 HydrophobicContact CB-CD2 3.81Å; V418-L446 HydrophobicContact CG1-CB 4.39Å; Y419-L446 PolarHBondContact O-N 3.11Å; I420-L446 VanDerWaalsContact CA-O 3.31Å; I420-L446 WeakPolarHBondContact CA-O 3.25Å; I420-L446 HydrophobicContact CD1-CD2 4.1Å; I420-L446 HydrophobicContact CG1-CB 4.21Å; I420-L446 HydrophobicContact CG1-CD2 4.31Å; I420-L446 HydrophobicContact CG2-CB 4.41Å; I420-L446 HydrophobicContact CG2-CD2 4.4Å; T421-L446 PolarHBondContact N-O 3.19Å; L446-F468 CarbonylContact C-O 3.55Å; L446-F468 VanDerWaalsContact CA-O 3.28Å; L446-F468 WeakPolarHBondContact CA-O 3.2Å; L446-F468 HydrophobicContact CD1-CB 4.04Å; L446-S469 VanDerWaalsContact CD1-O 3.27Å; L446-S469 WeakPolarHBondContact CD1-O 3.21Å; L446-V473 HydrophobicContact CD1-CG2 4.26Å; L446-V473 HydrophobicContact CD2-CG2 4.13Å; L446-L476 HydrophobicContact CB-CD2 4.13Å; L446-L476 HydrophobicContact CD1-CD2 4.14Å; L446-L476 HydrophobicContact CD2-CD2 4.16Å; L446-L476 HydrophobicContact CG-CD2 4.39Å |
| 447 | T | 86.3 | Confident | 63.8 | Low | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.6 | -175.9 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | T421 E423 A426 I467 F468 S469 K470 | T421-T447 VanDerWaalsContact O-CA 3.32Å; T421-T447 WeakPolarHBondContact O-CA 3.17Å; E423-T447 HydrophobicContact CB-CG2 4.28Å; A426-T447 HydrophobicContact CB-CG2 3.64Å; T447-I467 HydrophobicContact CG2-CG2 3.62Å; T447-F468 PolarHBondContact N-O 3.16Å; T447-F468 PolarHBondContact OG1-O 2.93Å; T447-S469 CarbonylContact O-C 3.55Å; T447-K470 PolarHBondContact O-N 3.42Å |
| 448 | T | 77.6 | Confident | 62.7 | Low | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -104 | -2.7 | -177.4 | 57 | 0 | 0 | 0 | 0 | 115.2 | R356 A359 I420 T421 | R356-T448 HydrophobicContact CB-CG2 4.32Å; R356-T448 HydrophobicContact CG-CG2 3.65Å; R356-T448 WeakPolarHBondContact CG-OG1 3.1Å; A359-T448 HydrophobicContact CB-CG2 4.04Å; I420-T448 HydrophobicContact CG2-CG2 3.86Å; T421-T448 PolarHBondContact O-N 3.16Å |
| 449 | D | 71.7 | Confident | 62 | Low | 84 Ų | 84 | 64 Ų | 64 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -89 | -16 | -172.4 | -63.7 | -0.6 | 0 | 0 | 0 | 113.2 | S422 | S422-D449 WeakPolarHBondContact CA-OD2 3.45Å; S422-D449 WeakPolarHBondContact CB-OD2 3.36Å |
| 450 | T | 56.9 | Low | 61 | Low | 28 Ų | 28 | 69.5 Ų | 69.5 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | trans | -105.3 | 109.8 | -177.1 | 44.9 | 0 | 0 | 0 | 0 | 110.9 | E423 D452 | E423-T450 WeakPolarHBondContact OE2-CG2 3.31Å; T450-D452 PolarHBondContact O-N 3.07Å | ||
| 451 | D | 49.2 | Very low | 59.8 | Low | 137 Ų | 137 | 68.9 Ų | 68.9 | 73% | 0.733 | 36% | 0.357 | S | S | * | . | trans | -80 | 1.5 | 168.9 | -68.4 | -33.8 | 0 | 0 | 0 | 112.3 | S453 | D451-S453 PolarHBondContact O-N 3.48Š| ||
| 452 | D | 40 | Very low | 58.4 | Low | 106 Ų | 106 | 73.7 Ų | 73.7 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | trans | -71.6 | 88.7 | -175.9 | -96.5 | -28.1 | 0 | 0 | 0 | 112.4 | T450 T454 S455 | T450-D452 PolarHBondContact O-N 3.07Å; D452-T454 PolarHBondContact O-N 2.91Å; D452-T454 VanDerWaalsContact O-N 3.1Å; D452-S455 PolarHBondContact O-N 3.12Å; D452-S455 PolarHBondContact O-OG 3.48Å | ||
| 453 | S | 41.2 | Very low | 56.8 | Low | 100 Ų | 100 | 79.4 Ų | 79.4 | 70% | 0.699 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -8 | 167.9 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | D451 | D451-S453 PolarHBondContact O-N 3.48Š|
| 454 | T | 35.6 | Very low | 55.3 | Low | 115 Ų | 115 | 82.6 Ų | 82.6 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -13.8 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | D452 T456 | D452-T454 PolarHBondContact O-N 2.91Å; D452-T454 VanDerWaalsContact O-N 3.1Å; T454-T456 PolarHBondContact O-N 3.5Å |
| 455 | S | 37.3 | Very low | 54 | Low | 38 Ų | 38 | 82.7 Ų | 82.7 | 27% | 0.266 | 44% | 0.441 | S | S | . | . | trans | -91.7 | 88.9 | 176 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | D452 E457 N472 | D452-S455 PolarHBondContact O-N 3.12Å; D452-S455 PolarHBondContact O-OG 3.48Å; S455-E457 PolarHBondContact O-N 3.31Å; S455-N472 PolarHBondContact O-ND2 2.74Å | ||
| 456 | T | 36.3 | Very low | 53.5 | Low | 123 Ų | 123 | 84.6 Ų | 84.6 | 76% | 0.755 | 45% | 0.45 | S | S | * | . | trans | -72.3 | -0.5 | 163.1 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | T454 I458 | T454-T456 PolarHBondContact O-N 3.5Å; T456-I458 PolarHBondContact O-N 2.96Å | ||
| 457 | E | 39.8 | Very low | 53 | Low | 141 Ų | 141 | 85.5 Ų | 85.5 | 66% | 0.659 | 46% | 0.455 | S | S | * | . | trans | -78.2 | 108.9 | -175.8 | -75.4 | -169.6 | 159.2 | 0 | 0 | 111.4 | S455 R459 | S455-E457 PolarHBondContact O-N 3.31Å; E457-R459 PolarHBondContact O-N 2.75Å | ||
| 458 | I | 45.4 | Very low | 52.7 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 46% | 0.462 | 46% | 0.456 | S | S | . | . | trans | -57 | 94.7 | 150.8 | -59.7 | 170.9 | 0 | 0 | 0 | 106.5 | T456 R460 L466 F468 | T456-I458 PolarHBondContact O-N 2.96Å; I458-R460 PolarHBondContact O-N 2.63Å; I458-R460 VanDerWaalsContact O-N 3.08Å; I458-L466 HydrophobicContact CG2-CD2 3.77Å; I458-F468 HydrophobicContact CG1-CE1 4.39Å | ||
| 459 | R | 51.3 | Low | 52.5 | Low | 123 Ų | 123 | 85.6 Ų | 85.6 | 46% | 0.464 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -68.3 | 110.9 | 171.6 | -72.9 | -172 | -179.6 | 161.3 | 9 | 107 | E423 E427 E457 P461 | E423-R459 IonicContact OE1-CZ 2.83Å; E423-R459 IonicContact OE1-NH1 3.17Å; E423-R459 PolarHBondContact OE1-NH1 3.41Å; E427-R459 IonicContact OE1-NH1 2.65Å; E457-R459 PolarHBondContact O-N 2.75Å; R459-P461 WeakPolarHBondContact O-CD 3.23Å |
| 460 | R | 42.4 | Very low | 52.1 | Low | 214 Ų | 214 | 83.4 Ų | 83.4 | 81% | 0.808 | 44% | 0.442 | S | S | * | . | trans | -83.9 | 98.5 | 168.4 | -70.4 | -178.6 | -177.7 | 167.2 | 1.8 | 107.8 | I458 S462 L466 | I458-R460 PolarHBondContact O-N 2.63Å; I458-R460 VanDerWaalsContact O-N 3.08Å; R460-S462 PolarHBondContact O-N 2.83Å; R460-L466 HydrophobicContact CG-CD2 4.01Å | ||
| 461 | P | 39.9 | Very low | 52.3 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 23% | 0.234 | 45% | 0.452 | C | S | . | . | trans | -58.2 | 137.1 | 158 | 23.5 | -30.1 | 0 | 0 | 0 | 108 | A430 R459 K463 G465 I467 | A430-P461 HydrophobicContact CB-CB 4.15Å; A430-P461 HydrophobicContact CB-CG 3.69Å; R459-P461 WeakPolarHBondContact O-CD 3.23Å; P461-K463 PolarHBondContact O-N 2.97Å; P461-G465 WeakPolarHBondContact CD-O 3.38Å; P461-G465 WeakPolarHBondContact CG-O 3.03Å; P461-I467 HydrophobicContact CG-CD1 4.19Å; P461-I467 HydrophobicContact CG-CG1 4.3Å | ||
| 462 | S | 44 | Very low | 53.3 | Low | 114 Ų | 114 | 80.5 Ų | 80.5 | 80% | 0.797 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | 106.2 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | R460 | R460-S462 PolarHBondContact O-N 2.83Š|
| 463 | K | 46.1 | Very low | 54.8 | Low | 198 Ų | 198 | 75.8 Ų | 75.8 | 86% | 0.861 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -5.3 | 159.1 | -68.2 | -173.3 | 175.8 | -179.6 | 0 | 124 | P461 | P461-K463 PolarHBondContact O-N 2.97Š|
| 464 | S | 55.5 | Low | 56.1 | Low | 72 Ų | 72 | 72.4 Ų | 72.4 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -167.1 | -20.8 | 169.6 | 42.5 | 0 | 0 | 0 | 0 | 120.4 | L433 | L433-S464 VanDerWaalsContact CD2-CB 3.5Å; L433-S464 VanDerWaalsContact CD2-OG 3.25Å; L433-S464 WeakPolarHBondContact CD2-OG 3.28Å |
| 465 | G | 62 | Low | 57.8 | Low | 3 Ų | 3 | 68.8 Ų | 68.8 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | trans | -100.2 | 142.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P461 | P461-G465 WeakPolarHBondContact CD-O 3.38Å; P461-G465 WeakPolarHBondContact CG-O 3.03Å | ||
| 466 | L | 76.9 | Confident | 59.9 | Low | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.9 | 168.6 | -66.2 | 175.4 | 0 | 0 | 0 | 109.1 | Y444 F445 I458 R460 F468 | Y444-L466 HydrophobicContact CD1-CB 4.27Å; Y444-L466 HydrophobicContact CD1-CD1 4.36Å; Y444-L466 HydrophobicContact CE1-CD1 4.03Å; F445-L466 PolarHBondContact N-O 2.87Å; I458-L466 HydrophobicContact CG2-CD2 3.77Å; R460-L466 HydrophobicContact CG-CD2 4.01Å; L466-F468 HydrophobicContact CB-CD2 4.37Å; L466-F468 HydrophobicContact CB-CE2 3.47Å; L466-F468 VanDerWaalsContact CB-CE2 3.47Å; L466-F468 HydrophobicContact CB-CZ 4.01Å; L466-F468 HydrophobicContact CD1-CE2 4.39Å; L466-F468 HydrophobicContact CD1-CZ 4.21Å |
| 467 | I | 78.8 | Confident | 61.7 | Low | 20 Ų | 20 | 62.3 Ų | 62.3 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.6 | 178.1 | -54 | 177.9 | 0 | 0 | 0 | 109 | A426 E427 A430 F445 T447 P461 | A426-I467 HydrophobicContact CB-CD1 4.4Å; A426-I467 HydrophobicContact CB-CG2 4.37Å; E427-I467 HydrophobicContact CG-CD1 4.2Å; A430-I467 HydrophobicContact CB-CD1 4.2Å; F445-I467 HydrophobicContact CB-CB 4.39Å; F445-I467 HydrophobicContact CB-CG1 4.08Å; F445-I467 HydrophobicContact CB-CG2 4.3Å; F445-I467 HydrophobicContact CD2-CG1 4.12Å; F445-I467 HydrophobicContact CG-CG1 4.36Å; T447-I467 HydrophobicContact CG2-CG2 3.62Å; P461-I467 HydrophobicContact CG-CD1 4.19Å; P461-I467 HydrophobicContact CG-CG1 4.3Å |
| 468 | F | 78.7 | Confident | 63.2 | Low | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.1 | 177.8 | -61.1 | -97.9 | 0 | 0 | 0 | 109.1 | Y444 F445 L446 T447 I458 L466 A475 L476 A479 | Y444-F468 AromaticContact CD1-CE2 3.86Å; Y444-F468 HydrophobicContact CD1-CE2 3.86Å; Y444-F468 HydrophobicContact CD1-CZ 4.49Å; F445-F468 PolarHBondContact O-N 2.65Å; L446-F468 CarbonylContact C-O 3.55Å; L446-F468 VanDerWaalsContact CA-O 3.28Å; L446-F468 WeakPolarHBondContact CA-O 3.2Å; L446-F468 HydrophobicContact CD1-CB 4.04Å; T447-F468 PolarHBondContact N-O 3.16Å; T447-F468 PolarHBondContact OG1-O 2.93Å; I458-F468 HydrophobicContact CG1-CE1 4.39Å; L466-F468 HydrophobicContact CB-CD2 4.37Å; L466-F468 HydrophobicContact CB-CE2 3.47Å; L466-F468 VanDerWaalsContact CB-CE2 3.47Å; L466-F468 HydrophobicContact CB-CZ 4.01Å; L466-F468 HydrophobicContact CD1-CE2 4.39Å; L466-F468 HydrophobicContact CD1-CZ 4.21Å; F468-A475 HydrophobicContact CD1-CB 4.03Å; F468-A475 HydrophobicContact CE1-CB 3.96Å; F468-L476 HydrophobicContact CB-CB 4.28Å; F468-L476 HydrophobicContact CD1-CB 3.92Å; F468-L476 HydrophobicContact CD2-CB 4.12Å; F468-L476 HydrophobicContact CD2-CD1 3.75Å; F468-L476 HydrophobicContact CD2-CG 4.45Å; F468-L476 HydrophobicContact CE1-CB 4.3Å; F468-L476 HydrophobicContact CE2-CB 4.49Å; F468-L476 HydrophobicContact CE2-CD1 3.83Å; F468-L476 HydrophobicContact CG-CB 3.83Å; F468-L476 HydrophobicContact CG-CD1 4.34Å; F468-L476 HydrophobicContact CZ-CD1 4.44Å; F468-A479 HydrophobicContact CE1-CB 4.32Å; F468-A479 HydrophobicContact CE2-CB 4.49Å; F468-A479 HydrophobicContact CZ-CB 3.66Å |
| 469 | S | 73.1 | Confident | 64.8 | Low | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 160.6 | 169.3 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | L446 T447 C471 N472 | L446-S469 VanDerWaalsContact CD1-O 3.27Å; L446-S469 WeakPolarHBondContact CD1-O 3.21Å; T447-S469 CarbonylContact O-C 3.55Å; S469-C471 PolarHBondContact O-N 2.71Å; S469-C471 VanDerWaalsContact O-N 3.16Å; S469-N472 WeakPolarHBondContact O-CA 3.12Å; S469-N472 PolarHBondContact O-N 3.4Å; S469-N472 PolarHBondContact OG-ND2 2.73Å; S469-N472 VanDerWaalsContact OG-ND2 3.08Å |
| 470 | K | 64.1 | Low | 66 | Low | 38 Ų | 38 | 51 Ų | 51 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -52.9 | -33.4 | 175.2 | -174.6 | -177.8 | 177.3 | -170.8 | 0 | 112.4 | A359 T447 N472 V473 | A359-K470 HydrophobicContact CB-CG 4.29Å; T447-K470 PolarHBondContact O-N 3.42Å; K470-N472 PolarHBondContact O-N 3.23Å; K470-V473 WeakPolarHBondContact O-CG2 3.12Å |
| 471 | C | 60.9 | Low | 67.2 | Low | 55 Ų | 55 | 42 Ų | 42 | 37% | 0.372 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -70.8 | -9.5 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | S469 | S469-C471 PolarHBondContact O-N 2.71Å; S469-C471 VanDerWaalsContact O-N 3.16Å |
| 472 | N | 69.9 | Low | 68.5 | Low | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -117 | 28.1 | -172.8 | -75.8 | -38.5 | 0 | 0 | 0 | 113.4 | S455 S469 K470 G474 A475 L476 | S455-N472 PolarHBondContact O-ND2 2.74Å; S469-N472 WeakPolarHBondContact O-CA 3.12Å; S469-N472 PolarHBondContact O-N 3.4Å; S469-N472 PolarHBondContact OG-ND2 2.73Å; S469-N472 VanDerWaalsContact OG-ND2 3.08Å; K470-N472 PolarHBondContact O-N 3.23Å; N472-G474 PolarHBondContact O-N 2.79Å; N472-A475 HydrophobicContact CB-CB 4.39Å; N472-A475 PolarHBondContact O-N 2.96Å; N472-L476 PolarHBondContact O-N 3.35Å; N472-L476 VanDerWaalsContact O-N 3.08Å |
| 473 | V | 72.3 | Confident | 69.4 | Low | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.4 | -34.9 | 175 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | Q362 L363 K366 L446 K470 L476 Y477 | Q362-V473 HydrophobicContact CB-CG1 4.49Å; L363-V473 HydrophobicContact CB-CG1 4.06Å; L363-V473 HydrophobicContact CD1-CG1 4.15Å; K366-V473 HydrophobicContact CD-CG1 4.13Å; L446-V473 HydrophobicContact CD1-CG2 4.26Å; L446-V473 HydrophobicContact CD2-CG2 4.13Å; K470-V473 WeakPolarHBondContact O-CG2 3.12Å; V473-L476 WeakPolarHBondContact O-CB 3Å; V473-L476 PolarHBondContact O-N 3Å; V473-Y477 WeakPolarHBondContact O-CB 3.48Å; V473-Y477 PolarHBondContact O-N 3.48Å |
| 474 | G | 68.6 | Low | 70 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N472 L476 Y477 E478 | N472-G474 PolarHBondContact O-N 2.79Å; G474-L476 VanDerWaalsContact C-N 3.34Å; G474-L476 PolarHBondContact O-N 3.23Å; G474-Y477 WeakPolarHBondContact O-CB 2.81Å; G474-Y477 PolarHBondContact O-N 3.08Å; G474-E478 PolarHBondContact O-N 3.38Å |
| 475 | A | 71.5 | Confident | 69.8 | Low | 39 Ų | 39 | 36 Ų | 36 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68 | -34.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F468 N472 E478 A479 | F468-A475 HydrophobicContact CD1-CB 4.03Å; F468-A475 HydrophobicContact CE1-CB 3.96Å; N472-A475 HydrophobicContact CB-CB 4.39Å; N472-A475 PolarHBondContact O-N 2.96Å; A475-E478 PolarHBondContact O-N 2.82Å; A475-A479 WeakPolarHBondContact O-CB 3.45Å; A475-A479 PolarHBondContact O-N 3.3Å |
| 476 | L | 80.1 | Confident | 68.9 | Low | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 171.5 | 172 | 60.4 | 0 | 0 | 0 | 110.7 | L363 V418 Y444 L446 F468 N472 V473 G474 E478 A479 L480 | L363-L476 HydrophobicContact CD1-CD2 4.26Å; L363-L476 HydrophobicContact CD1-CG 4.4Å; L363-L476 HydrophobicContact CD2-CD2 3.91Å; V418-L476 HydrophobicContact CG1-CD2 3.83Å; Y444-L476 HydrophobicContact CD1-CD1 3.81Å; Y444-L476 HydrophobicContact CG-CD1 3.91Å; L446-L476 HydrophobicContact CB-CD2 4.13Å; L446-L476 HydrophobicContact CD1-CD2 4.14Å; L446-L476 HydrophobicContact CD2-CD2 4.16Å; L446-L476 HydrophobicContact CG-CD2 4.39Å; F468-L476 HydrophobicContact CB-CB 4.28Å; F468-L476 HydrophobicContact CD1-CB 3.92Å; F468-L476 HydrophobicContact CD2-CB 4.12Å; F468-L476 HydrophobicContact CD2-CD1 3.75Å; F468-L476 HydrophobicContact CD2-CG 4.45Å; F468-L476 HydrophobicContact CE1-CB 4.3Å; F468-L476 HydrophobicContact CE2-CB 4.49Å; F468-L476 HydrophobicContact CE2-CD1 3.83Å; F468-L476 HydrophobicContact CG-CB 3.83Å; F468-L476 HydrophobicContact CG-CD1 4.34Å; F468-L476 HydrophobicContact CZ-CD1 4.44Å; N472-L476 PolarHBondContact O-N 3.35Å; N472-L476 VanDerWaalsContact O-N 3.08Å; V473-L476 WeakPolarHBondContact O-CB 3Å; V473-L476 PolarHBondContact O-N 3Å; G474-L476 VanDerWaalsContact C-N 3.34Å; G474-L476 PolarHBondContact O-N 3.23Å; L476-E478 PolarHBondContact O-N 2.86Å; L476-A479 CarbonylContact O-C 3.54Å; L476-A479 PolarHBondContact O-N 3.12Å; L476-A479 VanDerWaalsContact O-N 3.11Å; L476-L480 HydrophobicContact CD1-CD1 4.26Å; L476-L480 HydrophobicContact CD1-CG 4.2Å; L476-L480 HydrophobicContact CG-CD1 4.13Å; L476-L480 VanDerWaalsContact O-CG 3.32Å; L476-L480 WeakPolarHBondContact O-CG 3.44Å; L476-L480 PolarHBondContact O-N 3.05Å |
| 477 | Y | 75.3 | Confident | 66.9 | Low | 26 Ų | 26 | 39.4 Ų | 39.4 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.7 | -48.1 | 175.7 | 173.3 | -103.1 | 0 | 0 | 0 | 111.6 | K366 L367 G370 V473 G474 A479 L480 L481 | K366-Y477 HydrophobicContact CB-CD2 4.02Å; K366-Y477 HydrophobicContact CB-CE2 4.4Å; K366-Y477 HydrophobicContact CB-CG 4.33Å; K366-Y477 WeakPolarHBondContact O-CE2 3.37Å; L367-Y477 HydrophobicContact CD2-CD2 4.02Å; L367-Y477 HydrophobicContact CD2-CE2 4.16Å; L367-Y477 HydrophobicContact CG-CD2 4.47Å; G370-Y477 VanDerWaalsContact CA-OH 3.29Å; G370-Y477 WeakPolarHBondContact CA-OH 3.36Å; V473-Y477 WeakPolarHBondContact O-CB 3.48Å; V473-Y477 PolarHBondContact O-N 3.48Å; G474-Y477 WeakPolarHBondContact O-CB 2.81Å; G474-Y477 PolarHBondContact O-N 3.08Å; Y477-A479 VanDerWaalsContact C-N 3.29Å; Y477-A479 PolarHBondContact O-N 2.74Å; Y477-L480 WeakPolarHBondContact O-CB 2.93Å; Y477-L480 PolarHBondContact O-N 3Å; Y477-L480 VanDerWaalsContact O-N 3.09Å; Y477-L481 HydrophobicContact CD1-CD1 4.11Å; Y477-L481 HydrophobicContact CD1-CG 4.31Å; Y477-L481 HydrophobicContact CE1-CD1 3.51Å; Y477-L481 HydrophobicContact CE1-CD2 4.35Å; Y477-L481 HydrophobicContact CE1-CG 3.93Å; Y477-L481 HydrophobicContact CE2-CD2 4.07Å; Y477-L481 HydrophobicContact CE2-CG 4.29Å; Y477-L481 WeakPolarHBondContact O-CG 3.42Å; Y477-L481 PolarHBondContact O-N 3.34Å |
| 478 | E | 71.1 | Confident | 64.8 | Low | 97 Ų | 97 | 42.6 Ų | 42.6 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.6 | -37.2 | 174.3 | -71.8 | -57.6 | 142.4 | 0 | 0 | 113.2 | G474 A475 L476 L480 L481 K482 | G474-E478 PolarHBondContact O-N 3.38Å; A475-E478 PolarHBondContact O-N 2.82Å; L476-E478 PolarHBondContact O-N 2.86Å; E478-L480 VanDerWaalsContact C-N 3.34Å; E478-L481 PolarHBondContact O-N 3.28Å; E478-K482 WeakPolarHBondContact O-CG 3.41Å; E478-K482 PolarHBondContact O-N 3.18Å |
| 479 | A | 77.4 | Confident | 62.5 | Low | 16 Ų | 16 | 53.7 Ų | 53.7 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.9 | -29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y444 F468 A475 L476 Y477 | Y444-A479 HydrophobicContact CD1-CB 4.36Å; Y444-A479 HydrophobicContact CE1-CB 3.73Å; Y444-A479 PolarHBondContact OH-O 3.2Å; F468-A479 HydrophobicContact CE1-CB 4.32Å; F468-A479 HydrophobicContact CE2-CB 4.49Å; F468-A479 HydrophobicContact CZ-CB 3.66Å; A475-A479 WeakPolarHBondContact O-CB 3.45Å; A475-A479 PolarHBondContact O-N 3.3Å; L476-A479 CarbonylContact O-C 3.54Å; L476-A479 PolarHBondContact O-N 3.12Å; L476-A479 VanDerWaalsContact O-N 3.11Å; Y477-A479 VanDerWaalsContact C-N 3.29Å; Y477-A479 PolarHBondContact O-N 2.74Å |
| 480 | L | 78 | Confident | 62 | Low | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.8 | -43.6 | 170 | -68.1 | 168.3 | 0 | 0 | 0 | 110.5 | L363 L367 V418 Y444 L476 Y477 E478 K482 N483 A484 | L363-L480 HydrophobicContact CD1-CD1 3.88Å; L363-L480 HydrophobicContact CD2-CD1 4.5Å; L367-L480 HydrophobicContact CD2-CD1 4.24Å; V418-L480 HydrophobicContact CG2-CD1 4.11Å; V418-L480 HydrophobicContact CG2-CD2 3.98Å; Y444-L480 HydrophobicContact CD2-CD2 3.71Å; Y444-L480 HydrophobicContact CE2-CD2 3.67Å; Y444-L480 HydrophobicContact CG-CD2 4.26Å; L476-L480 HydrophobicContact CD1-CD1 4.26Å; L476-L480 HydrophobicContact CD1-CG 4.2Å; L476-L480 HydrophobicContact CG-CD1 4.13Å; L476-L480 VanDerWaalsContact O-CG 3.32Å; L476-L480 WeakPolarHBondContact O-CG 3.44Å; L476-L480 PolarHBondContact O-N 3.05Å; Y477-L480 WeakPolarHBondContact O-CB 2.93Å; Y477-L480 PolarHBondContact O-N 3Å; Y477-L480 VanDerWaalsContact O-N 3.09Å; E478-L480 VanDerWaalsContact C-N 3.34Å; L480-K482 PolarHBondContact O-N 2.81Å; L480-N483 CarbonylContact O-C 3.55Å; L480-N483 PolarHBondContact O-N 2.73Å; L480-A484 PolarHBondContact O-N 2.9Å |
| 481 | L | 66.7 | Low | 61.9 | Low | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.12 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 175.3 | -72.1 | -169.9 | 0 | 0 | 0 | 112.1 | L372 Y477 E478 N483 A484 L487 | L372-L481 HydrophobicContact CD1-CD2 3.31Å; L372-L481 HydrophobicContact CG-CD2 3.78Å; Y477-L481 HydrophobicContact CD1-CD1 4.11Å; Y477-L481 HydrophobicContact CD1-CG 4.31Å; Y477-L481 HydrophobicContact CE1-CD1 3.51Å; Y477-L481 HydrophobicContact CE1-CD2 4.35Å; Y477-L481 HydrophobicContact CE1-CG 3.93Å; Y477-L481 HydrophobicContact CE2-CD2 4.07Å; Y477-L481 HydrophobicContact CE2-CG 4.29Å; Y477-L481 WeakPolarHBondContact O-CG 3.42Å; Y477-L481 PolarHBondContact O-N 3.34Å; E478-L481 PolarHBondContact O-N 3.28Å; L481-N483 PolarHBondContact O-N 3.42Å; L481-A484 WeakPolarHBondContact O-CB 3.1Å; L481-A484 PolarHBondContact O-N 3.36Å; L481-L487 HydrophobicContact CB-CD2 4.04Å |
| 482 | K | 67.3 | Low | 61.9 | Low | 164 Ų | 164 | 56.9 Ų | 56.9 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.5 | 176.8 | -75.7 | 174.7 | -176.9 | 173 | 0 | 113.9 | E478 L480 | E478-K482 WeakPolarHBondContact O-CG 3.41Å; E478-K482 PolarHBondContact O-N 3.18Å; L480-K482 PolarHBondContact O-N 2.81Å |
| 483 | N | 63 | Low | 61.5 | Low | 34 Ų | 34 | 57.4 Ų | 57.4 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -15.6 | 178.5 | -160.5 | 62.3 | 0 | 0 | 0 | 113.5 | S416 K442 Y444 L480 L481 S485 | S416-N483 PolarHBondContact OG-ND2 2.75Å; K442-N483 WeakPolarHBondContact CB-ND2 3.44Å; K442-N483 HydrophobicContact CD-CB 4.03Å; K442-N483 WeakPolarHBondContact CD-ND2 3.41Å; K442-N483 WeakPolarHBondContact CD-OD1 3.46Å; K442-N483 PolarHBondContact NZ-OD1 3.26Å; Y444-N483 VanDerWaalsContact OH-CB 3.3Å; Y444-N483 WeakPolarHBondContact OH-CB 3.44Å; L480-N483 CarbonylContact O-C 3.55Å; L480-N483 PolarHBondContact O-N 2.73Å; L481-N483 PolarHBondContact O-N 3.42Å; N483-S485 PolarHBondContact O-N 2.6Å |
| 484 | A | 59.1 | Low | 60.8 | Low | 16 Ų | 16 | 60.6 Ų | 60.6 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -62.9 | 126.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | L372 L480 L481 C486 | L372-A484 HydrophobicContact CD1-CB 3.9Å; L372-A484 HydrophobicContact CD2-CB 3.85Å; L480-A484 PolarHBondContact O-N 2.9Å; L481-A484 WeakPolarHBondContact O-CB 3.1Å; L481-A484 PolarHBondContact O-N 3.36Å; A484-C486 PolarHBondContact O-N 2.83Å |
| 485 | S | 50.2 | Low | 60.3 | Low | 80 Ų | 80 | 62.7 Ų | 62.7 | 56% | 0.559 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -66.1 | 0.1 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | N483 | N483-S485 PolarHBondContact O-N 2.6Š|
| 486 | C | 44.5 | Very low | 59.5 | Low | 18 Ų | 18 | 64.4 Ų | 64.4 | 12% | 0.122 | 35% | 0.35 | C | S | . | . | trans | -131.2 | 61.9 | -170.5 | -47.7 | 0 | 0 | 0 | 0 | 109.9 | C331 L372 A484 | C331-C486 HydrophobicContact CB-CB 4.24Å; L372-C486 HydrophobicContact CD2-CB 4.46Å; L372-C486 WeakPolarHBondContact CD2-O 3.23Å; A484-C486 PolarHBondContact O-N 2.83Å | ||
| 487 | L | 34.1 | Very low | 57.9 | Low | 97 Ų | 97 | 69.4 Ų | 69.4 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | trans | -73.2 | 131.5 | 161 | -72.8 | 170.1 | 0 | 0 | 0 | 107.6 | L481 N489 | L481-L487 HydrophobicContact CB-CD2 4.04Å; L487-N489 PolarHBondContact O-N 2.9Å | ||
| 488 | P | 34.6 | Very low | 56.4 | Low | 88 Ų | 88 | 73 Ų | 73 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | trans | -58.4 | 131.8 | 161.6 | 24.9 | -29 | 0 | 0 | 0 | 107.7 | H371 | H371-P488 HydrophobicContact CB-CG 4.3Š| ||
| 489 | N | 30.8 | Very low | 55.1 | Low | 239 Ų | 239 | 70.8 Ų | 70.8 | 100% | 1.278 | 39% | 0.394 | S | S | * | . | trans | -60.9 | 0 | 172.8 | -87.1 | -20.5 | 0 | 0 | 0 | 111.3 | L487 | L487-N489 PolarHBondContact O-N 2.9Š|
Retrieved 489 of 489 residues in 652.3 ms
(Link to these results)