| 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 | 40.8 | Very low | 44.2 | Very low | 248 Ų | 248 | 137.1 Ų | 137.1 | 100% | 1.222 | 79% | 0.791 | S | S | * | * | 0 | 90.2 | 0 | -78.2 | -171.6 | -85.8 | 0 | 0 | 108.5 | |||||
| 2 | G | 36.8 | Very low | 47 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -98.9 | 104.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I4 | G2-I4 PolarHBondContact O-N 2.82Š| ||
| 3 | C | 41.4 | Very low | 49.9 | Very low | 122 Ų | 122 | 128 Ų | 128 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -78.8 | 100 | 177.7 | -141 | 0 | 0 | 0 | 0 | 108.2 | Q5 | C3-Q5 VanDerWaalsContact C-N 3.3Å; C3-Q5 PolarHBondContact O-N 2.99Å | ||
| 4 | I | 43.5 | Very low | 52.7 | Low | 157 Ų | 157 | 126.6 Ų | 126.6 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -70.9 | 93.3 | 168.2 | -59.3 | 173.4 | 0 | 0 | 0 | 106 | G2 S6 | G2-I4 PolarHBondContact O-N 2.82Å; I4-S6 VanDerWaalsContact C-N 3.28Å; I4-S6 PolarHBondContact O-N 2.94Å | ||
| 5 | Q | 40.2 | Very low | 55.2 | Low | 169 Ų | 169 | 123.7 Ų | 123.7 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | -66.4 | 95.2 | 165 | -74.8 | -176.2 | -10.2 | 0 | 0 | 107.3 | C3 I7 | C3-Q5 VanDerWaalsContact C-N 3.3Å; C3-Q5 PolarHBondContact O-N 2.99Å; Q5-I7 VanDerWaalsContact C-N 3.32Å; Q5-I7 PolarHBondContact O-N 2.93Å | ||
| 6 | S | 40 | Very low | 57.4 | Low | 90 Ų | 90 | 124.4 Ų | 124.4 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | trans | -65.9 | 96.8 | 167.7 | 56.5 | 0 | 0 | 0 | 0 | 107.7 | I4 T8 | I4-S6 VanDerWaalsContact C-N 3.28Å; I4-S6 PolarHBondContact O-N 2.94Å; S6-T8 PolarHBondContact O-N 3.04Å; S6-T8 PolarHBondContact O-OG1 3.22Å | ||
| 7 | I | 41.8 | Very low | 59.4 | Low | 154 Ų | 154 | 121.6 Ų | 121.6 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | trans | -64.9 | 84.5 | 161.1 | -57.5 | 172 | 0 | 0 | 0 | 105.2 | Q5 C9 | Q5-I7 VanDerWaalsContact C-N 3.32Å; Q5-I7 PolarHBondContact O-N 2.93Å; I7-C9 PolarHBondContact O-N 3.28Å | ||
| 8 | T | 42 | Very low | 61.5 | Low | 116 Ų | 116 | 115 Ų | 115 | 71% | 0.712 | 62% | 0.619 | S | S | * | * | trans | -68.9 | 86.2 | 168.1 | 14.1 | 0 | 0 | 0 | 0 | 105.5 | S6 K10 | S6-T8 PolarHBondContact O-N 3.04Å; S6-T8 PolarHBondContact O-OG1 3.22Å; T8-K10 PolarHBondContact O-N 3.32Å | ||
| 9 | C | 44.7 | Very low | 63.4 | Low | 114 Ų | 114 | 113.1 Ų | 113.1 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | trans | -60.5 | 91.5 | 168.4 | -168.8 | 0 | 0 | 0 | 0 | 106.1 | I7 S11 | I7-C9 PolarHBondContact O-N 3.28Å; C9-S11 PolarHBondContact O-N 2.74Å | ||
| 10 | K | 53.5 | Low | 65 | Low | 174 Ų | 174 | 109.1 Ų | 109.1 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | trans | -52.5 | 116.4 | 175.8 | -70.9 | -176.9 | -179.7 | 178.5 | 0 | 106.2 | T8 R12 | T8-K10 PolarHBondContact O-N 3.32Å; K10-R12 VanDerWaalsContact C-N 3.33Å; K10-R12 PolarHBondContact O-N 2.76Å | ||
| 11 | S | 61.4 | Low | 66.3 | Low | 88 Ų | 88 | 107.3 Ų | 107.3 | 62% | 0.615 | 58% | 0.576 | S | S | * | * | trans | -66.1 | 96.6 | -178.5 | 59.5 | 0 | 0 | 0 | 0 | 108.2 | C9 I13 | C9-S11 PolarHBondContact O-N 2.74Å; S11-I13 PolarHBondContact O-N 3.46Å | ||
| 12 | R | 78.3 | Confident | 68.8 | Low | 151 Ų | 151 | 100.2 Ų | 100.2 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | trans | -63.2 | 132.2 | 174.5 | -175.3 | 175.9 | 176.9 | -174.4 | -1.6 | 108.4 | K10 K14 E182 | K10-R12 VanDerWaalsContact C-N 3.33Å; K10-R12 PolarHBondContact O-N 2.76Å; R12-K14 PolarHBondContact O-N 2.83Å; R12-E182 IonicContact CZ-OE1 3.22Å; R12-E182 IonicContact CZ-OE2 3.24Å; R12-E182 VanDerWaalsContact CZ-OE2 3.24Å; R12-E182 IonicContact NE-OE1 3.09Å; R12-E182 PolarHBondContact NE-OE1 3.43Å; R12-E182 VanDerWaalsContact NE-OE1 3.09Å; R12-E182 IonicContact NE-OE2 2.82Å; R12-E182 PolarHBondContact NE-OE2 3.18Å; R12-E182 IonicContact NH2-OE1 2.7Å; R12-E182 PolarHBondContact NH2-OE1 3.26Å; R12-E182 IonicContact NH2-OE2 2.85Å; R12-E182 PolarHBondContact NH2-OE2 3.39Å | ||
| 13 | I | 84.8 | Confident | 71.7 | Confident | 5 Ų | 5 | 98.5 Ų | 98.5 | 3% | 0.026 | 52% | 0.517 | C | S | . | . | trans | -66 | 127.7 | 174.1 | -65.8 | 179.3 | 0 | 0 | 0 | 108.5 | S11 I18 M57 P58 I60 W66 I184 | S11-I13 PolarHBondContact O-N 3.46Å; I13-I18 HydrophobicContact CG2-CD1 3.89Å; I13-I18 HydrophobicContact CG2-CG1 4.03Å; I13-M57 HydrophobicContact CD1-CE 4.32Å; I13-P58 HydrophobicContact CD1-CG 4.06Å; I13-P58 HydrophobicContact CG1-CG 3.97Å; I13-P58 HydrophobicContact CG2-CG 3.95Å; I13-I60 HydrophobicContact CD1-CG1 4.03Å; I13-W66 HydrophobicContact CB-CH2 4.47Å; I13-W66 HydrophobicContact CB-CZ2 3.9Å; I13-W66 HydrophobicContact CG2-CZ2 4.36Å; I13-I184 HydrophobicContact CG2-CD1 4.05Å | ||
| 14 | K | 88.4 | Confident | 74.4 | Confident | 109 Ų | 109 | 95.4 Ų | 95.4 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | trans | -122.6 | 168.5 | 175.7 | -55.6 | 178.3 | 179.5 | 179.1 | 0 | 111 | R12 E16 N17 | R12-K14 PolarHBondContact O-N 2.83Å; K14-E16 VanDerWaalsContact C-N 3.27Å; K14-E16 HydrophobicContact CB-CG 4.24Å; K14-E16 WeakPolarHBondContact CB-OE1 3Å; K14-E16 WeakPolarHBondContact CB-OE2 3.43Å; K14-E16 WeakPolarHBondContact CD-OE1 3.48Å; K14-E16 PolarHBondContact O-N 3.48Å; K14-N17 WeakPolarHBondContact CB-OD1 3.19Å; K14-N17 PolarHBondContact N-OD1 2.99Å; K14-N17 WeakPolarHBondContact O-CB 3.42Å; K14-N17 PolarHBondContact O-N 2.82Å | ||
| 15 | R | 90.5 | Very high | 77 | Confident | 82 Ų | 82 | 88.6 Ų | 88.6 | 31% | 0.309 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -56.7 | -40.6 | -176.8 | 177.6 | 57.5 | -175.3 | 87.6 | -6.5 | 112.7 | N17 I18 I184 L185 L186 | R15-N17 PolarHBondContact O-N 2.91Å; R15-I18 PolarHBondContact NH1-O 2.92Å; R15-I18 PolarHBondContact O-N 2.78Å; R15-I184 HydrophobicContact CB-CG2 3.74Å; R15-I184 HydrophobicContact CG-CG2 4.22Å; R15-L185 VanDerWaalsContact CD-O 3.23Å; R15-L185 WeakPolarHBondContact CD-O 3.22Å; R15-L185 PolarHBondContact NE-O 2.81Å; R15-L185 VanDerWaalsContact NE-O 3.1Å; R15-L186 PolarHBondContact NH2-O 3.02Å |
| 16 | E | 90.3 | Very high | 79.8 | Confident | 135 Ų | 135 | 83 Ų | 83 | 63% | 0.631 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -65.6 | -20.6 | 179.8 | 59.3 | -91.7 | -147.7 | 0 | 0 | 113.3 | K14 | K14-E16 VanDerWaalsContact C-N 3.27Å; K14-E16 HydrophobicContact CB-CG 4.24Å; K14-E16 WeakPolarHBondContact CB-OE1 3Å; K14-E16 WeakPolarHBondContact CB-OE2 3.43Å; K14-E16 WeakPolarHBondContact CD-OE1 3.48Å; K14-E16 PolarHBondContact O-N 3.48Å |
| 17 | N | 91.9 | Very high | 82.6 | Confident | 78 Ų | 78 | 79 Ų | 79 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -86.8 | -12.4 | 177 | -55.2 | 102.1 | 0 | 0 | 0 | 113 | K14 R15 P58 | K14-N17 WeakPolarHBondContact CB-OD1 3.19Å; K14-N17 PolarHBondContact N-OD1 2.99Å; K14-N17 WeakPolarHBondContact O-CB 3.42Å; K14-N17 PolarHBondContact O-N 2.82Å; R15-N17 PolarHBondContact O-N 2.91Å; N17-P58 HydrophobicContact CB-CB 4.19Å; N17-P58 HydrophobicContact CB-CG 3.89Å; N17-P58 WeakPolarHBondContact O-CD 3.29Å |
| 18 | I | 96.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 118.7 | -178.6 | -55.2 | 173.6 | 0 | 0 | 0 | 108.8 | I13 R15 I55 M57 A175 I184 L186 | I13-I18 HydrophobicContact CG2-CD1 3.89Å; I13-I18 HydrophobicContact CG2-CG1 4.03Å; R15-I18 PolarHBondContact NH1-O 2.92Å; R15-I18 PolarHBondContact O-N 2.78Å; I18-I55 HydrophobicContact CG2-CG2 3.72Å; I18-M57 HydrophobicContact CB-SD 4.31Å; I18-M57 HydrophobicContact CD1-CE 4.19Å; I18-M57 HydrophobicContact CD1-SD 3.56Å; I18-M57 VanDerWaalsContact CD1-SD 3.56Å; I18-M57 HydrophobicContact CG1-SD 3.61Å; I18-M57 HydrophobicContact CG2-SD 3.75Å; I18-A175 HydrophobicContact CD1-CB 3.93Å; I18-I184 HydrophobicContact CD1-CB 4.5Å; I18-I184 HydrophobicContact CD1-CD1 3.96Å; I18-I184 HydrophobicContact CD1-CG2 4.17Å; I18-L186 HydrophobicContact CB-CD2 4Å; I18-L186 HydrophobicContact CD1-CD2 4.05Å; I18-L186 HydrophobicContact CG2-CD1 4.06Å; I18-L186 HydrophobicContact CG2-CD2 3.72Å |
| 19 | V | 97.4 | Very high | 87.8 | Confident | 79 Ų | 79 | 75 Ų | 75 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.9 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | Y21 I55 V56 | V19-Y21 HydrophobicContact CG1-CD1 4.39Å; V19-I55 CarbonylContact O-C 3.56Å; V19-I55 WeakPolarHBondContact O-CA 3.49Å; V19-V56 HydrophobicContact CB-CB 4.09Å; V19-V56 HydrophobicContact CB-CG2 4.29Å; V19-V56 PolarHBondContact N-O 3.1Å; V19-V56 PolarHBondContact O-N 2.97Å |
| 20 | V | 96.5 | Very high | 90.2 | Very high | 32 Ų | 32 | 71.9 Ų | 71.9 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.3 | 166.8 | -170.9 | 0 | 0 | 0 | 0 | 106.9 | V23 A53 L173 L186 | V20-V23 HydrophobicContact CG1-CG2 3.39Å; V20-A53 HydrophobicContact CG1-CB 4.15Å; V20-L173 HydrophobicContact CG1-CD2 3.87Å; V20-L173 HydrophobicContact CG2-CD2 4.19Å; V20-L186 HydrophobicContact CG2-CB 3.81Å; V20-L186 HydrophobicContact CG2-CD1 4.31Å; V20-L186 HydrophobicContact CG2-CD2 4.32Å; V20-L186 HydrophobicContact CG2-CG 4.38Å |
| 21 | Y | 92.4 | Very high | 92.2 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 29% | 0.286 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.4 | 176.5 | 63 | -74.2 | 0 | 0 | 0 | 109.1 | V19 R54 V56 | V19-Y21 HydrophobicContact CG1-CD1 4.39Å; Y21-R54 HydrophobicContact CD1-CB 4.05Å; Y21-R54 WeakPolarHBondContact CD1-O 3.27Å; Y21-R54 HydrophobicContact CD2-CB 3.88Å; Y21-R54 HydrophobicContact CE1-CB 3.72Å; Y21-R54 HydrophobicContact CE2-CB 3.58Å; Y21-R54 HydrophobicContact CE2-CG 4.33Å; Y21-R54 VanDerWaalsContact CE2-CZ 3.45Å; Y21-R54 HydrophobicContact CG-CB 4.12Å; Y21-R54 VanDerWaalsContact CZ-CB 3.49Å; Y21-R54 PolarHBondContact N-O 3.19Å; Y21-R54 CarbonylContact O-C 3.49Å; Y21-R54 WeakPolarHBondContact O-CA 3.42Å; Y21-R54 WeakPolarHBondContact O-CB 3.49Å; Y21-R54 PolarHBondContact O-N 3.4Å; Y21-V56 HydrophobicContact CD1-CG2 3.98Å; Y21-V56 HydrophobicContact CE1-CG2 3.39Å |
| 22 | D | 93.2 | Very high | 93.9 | Very high | 99 Ų | 99 | 62.3 Ų | 62.3 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.8 | 55.6 | 176.2 | -162.3 | 24.1 | 0 | 0 | 0 | 113.7 | R54 | D22-R54 IonicContact OD2-CZ 3.16Å; D22-R54 IonicContact OD2-NE 2.88Å; D22-R54 PolarHBondContact OD2-NE 2.84Å; D22-R54 IonicContact OD2-NH2 2.74Å; D22-R54 PolarHBondContact OD2-NH2 2.9Å |
| 23 | V | 96.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.5 | 170.1 | -179 | 0 | 0 | 0 | 0 | 108.3 | V20 S52 A53 Q187 V222 | V20-V23 HydrophobicContact CG1-CG2 3.39Å; V23-S52 WeakPolarHBondContact CA-O 3.23Å; V23-A53 HydrophobicContact CG2-CB 4.19Å; V23-Q187 HydrophobicContact CG1-CG 3.9Å; V23-Q187 HydrophobicContact CG2-CG 4.22Å; V23-V222 HydrophobicContact CG1-CG1 3.97Å; V23-V222 HydrophobicContact CG1-CG2 4.28Å |
| 24 | S | 97.6 | Very high | 95.4 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.2 | 172.4 | -178 | 0 | 0 | 0 | 0 | 110.1 | A51 S52 | S24-A51 CarbonylContact O-C 3.54Å; S24-A51 VanDerWaalsContact O-CA 3.31Å; S24-A51 WeakPolarHBondContact O-CA 3.48Å; S24-S52 PolarHBondContact N-O 2.81Å; S24-S52 PolarHBondContact O-N 2.88Å |
| 25 | A | 98.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 12% | 0.116 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 123.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F49 K50 A51 V189 P220 V222 | A25-F49 HydrophobicContact CB-CE2 4.28Å; A25-K50 CarbonylContact C-O 3.59Å; A25-K50 VanDerWaalsContact CA-O 3.27Å; A25-K50 WeakPolarHBondContact CA-O 3.39Å; A25-A51 HydrophobicContact CB-CB 4.45Å; A25-V189 HydrophobicContact CB-CG1 3.64Å; A25-V189 HydrophobicContact CB-CG2 4.25Å; A25-P220 HydrophobicContact CB-CB 3.83Å; A25-P220 HydrophobicContact CB-CG 4.35Å; A25-V222 HydrophobicContact CB-CG2 3.87Å |
| 26 | T | 98.6 | Very high | 96.1 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.8 | -174.3 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | F49 K50 | T26-F49 CarbonylContact O-C 3.57Å; T26-F49 WeakPolarHBondContact O-CA 3.41Å; T26-K50 PolarHBondContact N-O 2.8Å; T26-K50 PolarHBondContact O-N 3.04Å |
| 27 | I | 98.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.7 | 159.8 | -68 | 171.1 | 0 | 0 | 0 | 107.5 | H29 P47 Y48 F49 W191 M193 Q217 Q219 P220 | I27-H29 PolarHBondContact O-N 2.86Å; I27-P47 HydrophobicContact CG2-CB 3.75Å; I27-Y48 WeakPolarHBondContact CA-O 3.45Å; I27-F49 HydrophobicContact CG1-CB 4.12Å; I27-F49 HydrophobicContact CG1-CD2 4.15Å; I27-W191 HydrophobicContact CD1-CE3 4.3Å; I27-M193 HydrophobicContact CD1-CE 4.22Å; I27-M193 HydrophobicContact CG2-CE 4.35Å; I27-Q217 HydrophobicContact CB-CB 4.44Å; I27-Q217 HydrophobicContact CD1-CB 4.01Å; I27-Q217 HydrophobicContact CG2-CB 3.86Å; I27-Q217 HydrophobicContact CG2-CG 4.1Å; I27-Q219 PolarHBondContact O-NE2 3.34Å; I27-Q219 PolarHBondContact O-OE1 2.83Å; I27-P220 HydrophobicContact CD1-CG 4.31Å; I27-P220 HydrophobicContact CG1-CG 3.9Å |
| 28 | D | 97.7 | Very high | 96.4 | Very high | 45 Ų | 45 | 53 Ų | 53 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | trans | -50.7 | 135.6 | 179.6 | -77 | -15.7 | 0 | 0 | 0 | 111.2 | C30 P47 Y48 K50 | D28-C30 PolarHBondContact O-N 2.89Å; D28-P47 HydrophobicContact CB-CB 4.05Å; D28-P47 WeakPolarHBondContact O-CB 3.35Å; D28-Y48 PolarHBondContact N-O 2.81Å; D28-K50 WeakPolarHBondContact OD1-CE 3.36Å; D28-K50 IonicContact OD1-NZ 2.98Å; D28-K50 PolarHBondContact OD1-NZ 3.31Å; D28-K50 WeakPolarHBondContact OD2-CE 3.45Å; D28-K50 IonicContact OD2-NZ 3.65Å; D28-K50 PolarHBondContact OD2-NZ 2.92Å | ||
| 29 | H | 95.4 | Very high | 96.2 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 66% | 0.662 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -82.8 | 62.7 | -177.9 | -162.8 | 69.6 | 0 | 0 | 0 | 111.2 | I27 H216 | I27-H29 PolarHBondContact O-N 2.86Å; H29-H216 AromaticContact CD2-NE2 3.9Å; H29-H216 AromaticContact CE1-CD2 3.6Å; H29-H216 AromaticContact CE1-CE1 3.8Å; H29-H216 AromaticContact CE1-CG 3.5Å; H29-H216 VanDerWaalsContact CE1-CG 3.5Å; H29-H216 AromaticContact CE1-ND1 3.64Å; H29-H216 AromaticContact CE1-NE2 3.81Å; H29-H216 AromaticContact ND1-CD2 3.69Å; H29-H216 AromaticContact ND1-CG 3.84Å; H29-H216 AromaticContact NE2-CD2 3.89Å; H29-H216 AromaticContact NE2-CE1 3.64Å; H29-H216 AromaticContact NE2-ND1 3.94Å; H29-H216 AromaticContact NE2-NE2 3.63Å |
| 30 | C | 95.1 | Very high | 96 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 32% | 0.324 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -137.3 | 160.6 | 173.4 | 58.1 | 0 | 0 | 0 | 0 | 109.7 | D28 P47 | D28-C30 PolarHBondContact O-N 2.89Å; C30-P47 WeakPolarHBondContact O-CG 3.39Å |
| 31 | P | 96.2 | Very high | 96 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 164.8 | 171.7 | 29.3 | -33.3 | 0 | 0 | 0 | 112.5 | I33 L211 T215 | P31-I33 PolarHBondContact O-N 3.06Å; P31-L211 HydrophobicContact CB-CD2 4.1Å; P31-T215 WeakPolarHBondContact CA-O 3.46Å; P31-T215 HydrophobicContact CB-CG2 3.82Å; P31-T215 WeakPolarHBondContact CB-O 3.46Å; P31-T215 HydrophobicContact CG-CG2 4.33Å |
| 32 | T | 97.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 130.1 | 162.2 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | Y44 K45 T46 V195 L211 | T32-Y44 HydrophobicContact CG2-CD2 3.82Å; T32-Y44 HydrophobicContact CG2-CG 4.34Å; T32-K45 CarbonylContact C-O 3.53Å; T32-K45 WeakPolarHBondContact CA-O 3.41Å; T32-T46 HydrophobicContact CG2-CG2 4.39Å; T32-V195 HydrophobicContact CG2-CG1 4.41Å; T32-L211 HydrophobicContact CG2-CD1 4.31Å |
| 33 | I | 97.1 | Very high | 96.5 | Very high | 93 Ų | 93 | 54.2 Ų | 54.2 | 48% | 0.477 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130 | 177.7 | -59.5 | 171.9 | 0 | 0 | 0 | 108.2 | P31 E35 Y44 K45 | P31-I33 PolarHBondContact O-N 3.06Å; I33-E35 HydrophobicContact CG2-CG 4.36Å; I33-Y44 CarbonylContact O-C 3.46Å; I33-Y44 WeakPolarHBondContact O-CA 3.42Å; I33-Y44 WeakPolarHBondContact O-CB 3.44Å; I33-K45 HydrophobicContact CB-CB 4.49Å; I33-K45 PolarHBondContact N-O 2.87Å; I33-K45 PolarHBondContact O-N 3.1Å |
| 34 | I | 97.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.5 | 173.6 | -64.8 | 176.4 | 0 | 0 | 0 | 108.4 | L42 I197 A209 L211 | I34-L42 HydrophobicContact CG2-CD1 3.67Å; I34-I197 HydrophobicContact CD1-CD1 4.41Å; I34-I197 HydrophobicContact CD1-CG1 4.23Å; I34-I197 HydrophobicContact CD1-CG2 3.92Å; I34-I197 HydrophobicContact CG1-CD1 4.28Å; I34-A209 HydrophobicContact CD1-CB 4.22Å; I34-A209 HydrophobicContact CG2-CB 3.78Å; I34-L211 HydrophobicContact CD1-CB 3.97Å |
| 35 | E | 97.1 | Very high | 96.5 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 96.5 | 179.7 | -69.1 | 179.9 | -168.4 | 0 | 0 | 110 | I33 N37 R43 Y143 | I33-E35 HydrophobicContact CG2-CG 4.36Å; E35-N37 PolarHBondContact O-N 2.89Å; E35-R43 HydrophobicContact CB-CB 3.94Å; E35-R43 PolarHBondContact N-O 2.93Å; E35-R43 PolarHBondContact O-N 2.68Å; E35-Y143 PolarHBondContact OE2-OH 2.99Å |
| 36 | E | 95.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | trans | -104.6 | 51.5 | -173.5 | -160.8 | -177.3 | 139.9 | 0 | 0 | 112.1 | L42 W148 L205 G206 S207 R208 A209 | E36-L42 HydrophobicContact CB-CD1 4.26Å; E36-L42 HydrophobicContact CG-CD1 4.32Å; E36-W148 HydrophobicContact CG-CH2 3.7Å; E36-W148 HydrophobicContact CG-CZ2 3.74Å; E36-L205 HydrophobicContact CG-CD1 3.83Å; E36-L205 WeakPolarHBondContact OE1-CA 3.18Å; E36-G206 PolarHBondContact OE1-N 2.88Å; E36-S207 PolarHBondContact OE1-N 2.85Å; E36-S207 PolarHBondContact OE2-N 2.7Å; E36-R208 VanDerWaalsContact CD-N 3.34Å; E36-R208 WeakPolarHBondContact OE1-CB 3.43Å; E36-R208 WeakPolarHBondContact OE1-CD 3.31Å; E36-R208 WeakPolarHBondContact OE1-CG 3.34Å; E36-R208 PolarHBondContact OE1-N 2.86Å; E36-R208 PolarHBondContact OE2-N 2.85Å; E36-A209 PolarHBondContact OE2-N 2.99Å | ||
| 37 | N | 95 | Very high | 96.4 | Very high | 138 Ų | 138 | 49.6 Ų | 49.6 | 74% | 0.738 | 26% | 0.26 | S | S | * | . | trans | -104.3 | -9.7 | -173.4 | -56.7 | -24.4 | 0 | 0 | 0 | 113.3 | E35 | E35-N37 PolarHBondContact O-N 2.89Š| ||
| 38 | S | 94.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | trans | -107.9 | 133.7 | -175.7 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | I40 V41 W148 L205 | S38-I40 PolarHBondContact O-N 2.82Å; S38-I40 PolarHBondContact OG-N 3.09Å; S38-V41 WeakPolarHBondContact CB-O 3.35Å; S38-W148 PolarHBondContact O-NE1 2.91Å; S38-L205 WeakPolarHBondContact O-CD1 3.18Å | ||
| 39 | P | 92.6 | Very high | 96.4 | Very high | 96 Ų | 96 | 50.4 Ų | 50.4 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -73 | -6.3 | 176.2 | 30.1 | -34.5 | 0 | 0 | 0 | 113.5 | W148 | P39-W148 VanDerWaalsContact C-CD1 3.48Å; P39-W148 VanDerWaalsContact O-CD1 3.24Å |
| 40 | I | 93.1 | Very high | 96.6 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 54% | 0.544 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -109.4 | -36 | -174.9 | -54.8 | 174.2 | 0 | 0 | 0 | 111.7 | S38 W148 | S38-I40 PolarHBondContact O-N 2.82Å; S38-I40 PolarHBondContact OG-N 3.09Å; I40-W148 PolarHBondContact O-N 3.37Å; I40-W148 VanDerWaalsContact O-N 3.1Å |
| 41 | V | 95.6 | Very high | 96.7 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 149.2 | -175.6 | -61 | 0 | 0 | 0 | 0 | 112.9 | S38 R43 V146 T147 W148 | S38-V41 WeakPolarHBondContact CB-O 3.35Å; V41-R43 HydrophobicContact CG2-CG 4.34Å; V41-V146 CarbonylContact C-O 3.58Å; V41-V146 WeakPolarHBondContact CA-O 3.39Å; V41-V146 WeakPolarHBondContact CB-O 3.46Å; V41-T147 HydrophobicContact CG1-CG2 4.21Å; V41-W148 VanDerWaalsContact C-CE2 3.47Å; V41-W148 VanDerWaalsContact C-NE1 3.31Å; V41-W148 PolarHBondContact O-NE1 3.35Å |
| 42 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 130.5 | 159.2 | -174.8 | 50.1 | 0 | 0 | 0 | 109.2 | I34 E36 V146 W148 L160 I163 I197 V199 A209 | I34-L42 HydrophobicContact CG2-CD1 3.67Å; E36-L42 HydrophobicContact CB-CD1 4.26Å; E36-L42 HydrophobicContact CG-CD1 4.32Å; L42-V146 PolarHBondContact N-O 3.03Å; L42-V146 PolarHBondContact O-N 2.66Å; L42-W148 HydrophobicContact CB-CD2 4.48Å; L42-W148 HydrophobicContact CB-CE3 4.2Å; L42-W148 HydrophobicContact CB-CH2 3.46Å; L42-W148 VanDerWaalsContact CB-CH2 3.46Å; L42-W148 HydrophobicContact CB-CZ2 3.72Å; L42-W148 HydrophobicContact CB-CZ3 3.7Å; L42-W148 HydrophobicContact CD1-CH2 3.56Å; L42-W148 HydrophobicContact CD1-CZ2 4.06Å; L42-W148 HydrophobicContact CD1-CZ3 4.37Å; L42-W148 HydrophobicContact CD2-CH2 3.94Å; L42-W148 HydrophobicContact CD2-CZ3 3.9Å; L42-W148 HydrophobicContact CG-CH2 3.83Å; L42-W148 HydrophobicContact CG-CZ2 4.41Å; L42-W148 HydrophobicContact CG-CZ3 4.2Å; L42-L160 HydrophobicContact CD2-CD2 4.39Å; L42-I163 HydrophobicContact CD2-CD1 3.73Å; L42-I163 HydrophobicContact CG-CD1 4.39Å; L42-I197 HydrophobicContact CD2-CG2 4.24Å; L42-V199 HydrophobicContact CD2-CG2 3.98Å; L42-A209 HydrophobicContact CD1-CB 4.13Å; L42-A209 HydrophobicContact CD2-CB 3.81Å |
| 43 | R | 98.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 44.3 Ų | 44.3 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 148.5 | 167.1 | -68.5 | -174.6 | -174.4 | 96 | 1.6 | 109.5 | E35 V41 Y143 S145 | E35-R43 HydrophobicContact CB-CB 3.94Å; E35-R43 PolarHBondContact N-O 2.93Å; E35-R43 PolarHBondContact O-N 2.68Å; V41-R43 HydrophobicContact CG2-CG 4.34Å; R43-Y143 HydrophobicContact CB-CE2 4.39Å; R43-S145 WeakPolarHBondContact CG-OG 3.5Å; R43-S145 PolarHBondContact NE-OG 2.88Å; R43-S145 VanDerWaalsContact NE-OG 3.11Å |
| 44 | Y | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 147.2 | 168.2 | 66.3 | -93.3 | 0 | 0 | 0 | 109.5 | T32 I33 T46 Y143 P144 V146 I163 R165 V195 I197 | T32-Y44 HydrophobicContact CG2-CD2 3.82Å; T32-Y44 HydrophobicContact CG2-CG 4.34Å; I33-Y44 CarbonylContact O-C 3.46Å; I33-Y44 WeakPolarHBondContact O-CA 3.42Å; I33-Y44 WeakPolarHBondContact O-CB 3.44Å; Y44-T46 HydrophobicContact CD2-CG2 4.27Å; Y44-T46 HydrophobicContact CE2-CG2 4.13Å; Y44-Y143 WeakPolarHBondContact O-CA 3.37Å; Y44-Y143 WeakPolarHBondContact O-CD2 3.46Å; Y44-P144 HydrophobicContact CD1-CG 4.08Å; Y44-P144 HydrophobicContact CD2-CG 4.43Å; Y44-P144 HydrophobicContact CE1-CG 3.41Å; Y44-P144 VanDerWaalsContact CE1-CG 3.41Å; Y44-P144 HydrophobicContact CE2-CG 3.81Å; Y44-P144 WeakPolarHBondContact O-CD 3.49Å; Y44-P144 WeakPolarHBondContact OH-CG 3.35Å; Y44-V146 HydrophobicContact CE1-CG2 4.27Å; Y44-I163 HydrophobicContact CD1-CD1 4.27Å; Y44-I163 HydrophobicContact CE1-CD1 4.15Å; Y44-I163 HydrophobicContact CE1-CG2 4.03Å; Y44-R165 WeakPolarHBondContact OH-CD 3.5Å; Y44-V195 HydrophobicContact CD2-CG1 4.22Å; Y44-V195 HydrophobicContact CE2-CB 4.39Å; Y44-V195 HydrophobicContact CE2-CG1 4Å; Y44-V195 HydrophobicContact CE2-CG2 4.06Å; Y44-I197 HydrophobicContact CD1-CD1 3.75Å; Y44-I197 HydrophobicContact CD2-CD1 4.39Å; Y44-I197 HydrophobicContact CE1-CD1 4.36Å; Y44-I197 HydrophobicContact CG-CD1 3.76Å |
| 45 | K | 97.6 | Very high | 97 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.9 | -179.4 | -170.9 | 178 | 179.2 | 173.4 | 0 | 109.5 | T32 I33 Y48 N141 F142 Y143 | T32-K45 CarbonylContact C-O 3.53Å; T32-K45 WeakPolarHBondContact CA-O 3.41Å; I33-K45 HydrophobicContact CB-CB 4.49Å; I33-K45 PolarHBondContact N-O 2.87Å; I33-K45 PolarHBondContact O-N 3.1Å; K45-Y48 VanDerWaalsContact CE-OH 3.23Å; K45-Y48 WeakPolarHBondContact CE-OH 3.33Å; K45-Y48 PolarHBondContact NZ-OH 3.15Å; K45-N141 WeakPolarHBondContact CG-ND2 3.41Å; K45-F142 WeakPolarHBondContact CA-O 3.49Å; K45-Y143 HydrophobicContact CB-CD2 3.73Å; K45-Y143 HydrophobicContact CB-CE2 4.14Å; K45-Y143 HydrophobicContact CG-CD2 4.05Å |
| 46 | T | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 159.6 | 173.4 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | T32 Y44 F142 M193 V195 | T32-T46 HydrophobicContact CG2-CG2 4.39Å; Y44-T46 HydrophobicContact CD2-CG2 4.27Å; Y44-T46 HydrophobicContact CE2-CG2 4.13Å; T46-F142 HydrophobicContact CG2-CB 3.85Å; T46-F142 HydrophobicContact CG2-CD2 3.9Å; T46-F142 HydrophobicContact CG2-CG 4.26Å; T46-F142 PolarHBondContact N-O 2.81Å; T46-F142 PolarHBondContact OG1-N 3.48Å; T46-M193 HydrophobicContact CG2-CG 4.02Å; T46-M193 HydrophobicContact CG2-SD 4.09Å; T46-V195 HydrophobicContact CG2-CG2 3.59Å |
| 47 | P | 97.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 153.4 | 167.5 | -23.2 | 35.5 | 0 | 0 | 0 | 111.2 | I27 D28 C30 M193 | I27-P47 HydrophobicContact CG2-CB 3.75Å; D28-P47 HydrophobicContact CB-CB 4.05Å; D28-P47 WeakPolarHBondContact O-CB 3.35Å; C30-P47 WeakPolarHBondContact O-CG 3.39Å; P47-M193 WeakPolarHBondContact O-CE 3.41Å |
| 48 | Y | 98.1 | Very high | 97.2 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 26% | 0.263 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -76.9 | 127.4 | 176.5 | -72.6 | -90.5 | 0 | 0 | 0 | 110.5 | I27 D28 K45 N139 D140 N141 | I27-Y48 WeakPolarHBondContact CA-O 3.45Å; D28-Y48 PolarHBondContact N-O 2.81Å; K45-Y48 VanDerWaalsContact CE-OH 3.23Å; K45-Y48 WeakPolarHBondContact CE-OH 3.33Å; K45-Y48 PolarHBondContact NZ-OH 3.15Å; Y48-N139 HydrophobicContact CD1-CB 4.22Å; Y48-D140 CarbonylContact C-O 3.47Å; Y48-D140 WeakPolarHBondContact CA-O 3.39Å; Y48-N141 HydrophobicContact CD1-CB 3.67Å; Y48-N141 HydrophobicContact CE1-CB 3.83Å; Y48-N141 VanDerWaalsContact CE1-CG 3.45Å; Y48-N141 WeakPolarHBondContact CE1-OD1 3.04Å; Y48-N141 HydrophobicContact CG-CB 4.07Å |
| 49 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 136.6 | 151.7 | 168.7 | -111 | 0 | 0 | 0 | 108.5 | A25 T26 I27 A51 M138 N139 D140 V189 W191 P220 | A25-F49 HydrophobicContact CB-CE2 4.28Å; T26-F49 CarbonylContact O-C 3.57Å; T26-F49 WeakPolarHBondContact O-CA 3.41Å; I27-F49 HydrophobicContact CG1-CB 4.12Å; I27-F49 HydrophobicContact CG1-CD2 4.15Å; F49-A51 HydrophobicContact CE1-CB 4.13Å; F49-A51 HydrophobicContact CE2-CB 4.48Å; F49-A51 HydrophobicContact CZ-CB 3.75Å; F49-M138 HydrophobicContact CD1-CE 4.3Å; F49-M138 HydrophobicContact CE1-CE 3.95Å; F49-M138 HydrophobicContact CE1-CG 4.48Å; F49-M138 HydrophobicContact CE1-SD 4.19Å; F49-N139 CarbonylContact O-C 3.47Å; F49-N139 WeakPolarHBondContact O-CA 3.23Å; F49-D140 HydrophobicContact CD1-CB 4.23Å; F49-D140 PolarHBondContact N-O 2.91Å; F49-D140 PolarHBondContact O-N 2.83Å; F49-V189 HydrophobicContact CE2-CG1 4.21Å; F49-V189 HydrophobicContact CZ-CG1 4.14Å; F49-W191 HydrophobicContact CB-CD2 4.1Å; F49-W191 HydrophobicContact CB-CE3 3.94Å; F49-W191 HydrophobicContact CB-CH2 4.1Å; F49-W191 HydrophobicContact CB-CZ2 4.24Å; F49-W191 HydrophobicContact CB-CZ3 3.93Å; F49-W191 HydrophobicContact CD1-CD2 4.04Å; F49-W191 AromaticContact CD1-CE2 3.53Å; F49-W191 HydrophobicContact CD1-CG 4.38Å; F49-W191 HydrophobicContact CD1-CH2 4.47Å; F49-W191 AromaticContact CD1-CZ2 3.8Å; F49-W191 HydrophobicContact CD1-CZ2 3.8Å; F49-W191 AromaticContact CD1-NE1 3.57Å; F49-W191 HydrophobicContact CD2-CB 4.12Å; F49-W191 AromaticContact CD2-CD2 3.9Å; F49-W191 HydrophobicContact CD2-CD2 3.9Å; F49-W191 HydrophobicContact CD2-CE3 4.39Å; F49-W191 AromaticContact CD2-CG 3.78Å; F49-W191 HydrophobicContact CD2-CG 3.78Å; F49-W191 AromaticContact CE1-CD1 3.75Å; F49-W191 HydrophobicContact CE1-CD2 4.45Å; F49-W191 AromaticContact CE1-CE2 3.87Å; F49-W191 HydrophobicContact CE1-CG 4.38Å; F49-W191 HydrophobicContact CE1-CZ2 4.43Å; F49-W191 AromaticContact CE1-NE1 3.38Å; F49-W191 HydrophobicContact CE2-CB 4.08Å; F49-W191 AromaticContact CE2-CD1 3.68Å; F49-W191 HydrophobicContact CE2-CD2 4.33Å; F49-W191 AromaticContact CE2-CG 3.78Å; F49-W191 HydrophobicContact CE2-CG 3.78Å; F49-W191 AromaticContact CG-CD2 3.73Å; F49-W191 HydrophobicContact CG-CD2 3.73Å; F49-W191 AromaticContact CG-CE2 3.73Å; F49-W191 HydrophobicContact CG-CE3 4.09Å; F49-W191 HydrophobicContact CG-CG 4.08Å; F49-W191 HydrophobicContact CG-CH2 4.46Å; F49-W191 HydrophobicContact CG-CZ2 4.12Å; F49-W191 HydrophobicContact CG-CZ3 4.43Å; F49-W191 AromaticContact CZ-CD1 3.51Å; F49-W191 HydrophobicContact CZ-CG 4.09Å; F49-W191 AromaticContact CZ-NE1 3.67Å; F49-P220 HydrophobicContact CD2-CB 4.39Å; F49-P220 HydrophobicContact CD2-CG 3.56Å; F49-P220 HydrophobicContact CE2-CB 3.87Å; F49-P220 HydrophobicContact CE2-CG 3.52Å |
| 50 | K | 98.5 | Very high | 97.5 | Very high | 83 Ų | 83 | 32 Ų | 32 | 36% | 0.361 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 133.6 | 177.6 | -65.4 | 173.2 | -176.7 | 158.6 | 0 | 108.5 | A25 T26 D28 M138 N139 | A25-K50 CarbonylContact C-O 3.59Å; A25-K50 VanDerWaalsContact CA-O 3.27Å; A25-K50 WeakPolarHBondContact CA-O 3.39Å; T26-K50 PolarHBondContact N-O 2.8Å; T26-K50 PolarHBondContact O-N 3.04Å; D28-K50 WeakPolarHBondContact OD1-CE 3.36Å; D28-K50 IonicContact OD1-NZ 2.98Å; D28-K50 PolarHBondContact OD1-NZ 3.31Å; D28-K50 WeakPolarHBondContact OD2-CE 3.45Å; D28-K50 IonicContact OD2-NZ 3.65Å; D28-K50 PolarHBondContact OD2-NZ 2.92Å; K50-M138 WeakPolarHBondContact CA-O 3.49Å; K50-N139 HydrophobicContact CG-CB 4.18Å |
| 51 | A | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | S24 A25 F49 W70 S137 M138 | S24-A51 CarbonylContact O-C 3.54Å; S24-A51 VanDerWaalsContact O-CA 3.31Å; S24-A51 WeakPolarHBondContact O-CA 3.48Å; A25-A51 HydrophobicContact CB-CB 4.45Å; F49-A51 HydrophobicContact CE1-CB 4.13Å; F49-A51 HydrophobicContact CE2-CB 4.48Å; F49-A51 HydrophobicContact CZ-CB 3.75Å; A51-W70 HydrophobicContact CB-CH2 4.17Å; A51-W70 HydrophobicContact CB-CZ2 4.1Å; A51-W70 HydrophobicContact CB-CZ3 4.48Å; A51-S137 CarbonylContact O-C 3.59Å; A51-S137 WeakPolarHBondContact O-CA 3.36Å; A51-M138 HydrophobicContact CB-CG 3.93Å; A51-M138 PolarHBondContact N-O 3.49Å; A51-M138 PolarHBondContact O-N 2.87Å |
| 52 | S | 98.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 27% | 0.273 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 146.9 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | V23 S24 T135 V136 | V23-S52 WeakPolarHBondContact CA-O 3.23Å; S24-S52 PolarHBondContact N-O 2.81Å; S24-S52 PolarHBondContact O-N 2.88Å; S52-T135 WeakPolarHBondContact OG-CG2 3.37Å; S52-V136 WeakPolarHBondContact CA-O 3.33Å |
| 53 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 142.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V20 V23 I55 W70 T135 V136 L173 | V20-A53 HydrophobicContact CG1-CB 4.15Å; V23-A53 HydrophobicContact CG2-CB 4.19Å; A53-I55 HydrophobicContact CB-CD1 4.05Å; A53-I55 VanDerWaalsContact O-CD1 3.29Å; A53-I55 WeakPolarHBondContact O-CD1 3.47Å; A53-W70 HydrophobicContact CB-CH2 4.22Å; A53-W70 HydrophobicContact CB-CZ2 3.86Å; A53-T135 WeakPolarHBondContact O-CA 3.48Å; A53-V136 PolarHBondContact N-O 3.2Å; A53-V136 PolarHBondContact O-N 3.19Å; A53-V136 VanDerWaalsContact O-N 3.09Å; A53-L173 HydrophobicContact CB-CD2 3.68Å |
| 54 | R | 98.4 | Very high | 97 | Very high | 97 Ų | 97 | 40 Ų | 40 | 37% | 0.366 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.8 | 167.2 | -60.4 | -170.7 | -77.8 | 159.3 | -0.5 | 109.4 | Y21 D22 F134 | Y21-R54 HydrophobicContact CD1-CB 4.05Å; Y21-R54 WeakPolarHBondContact CD1-O 3.27Å; Y21-R54 HydrophobicContact CD2-CB 3.88Å; Y21-R54 HydrophobicContact CE1-CB 3.72Å; Y21-R54 HydrophobicContact CE2-CB 3.58Å; Y21-R54 HydrophobicContact CE2-CG 4.33Å; Y21-R54 VanDerWaalsContact CE2-CZ 3.45Å; Y21-R54 HydrophobicContact CG-CB 4.12Å; Y21-R54 VanDerWaalsContact CZ-CB 3.49Å; Y21-R54 PolarHBondContact N-O 3.19Å; Y21-R54 CarbonylContact O-C 3.49Å; Y21-R54 WeakPolarHBondContact O-CA 3.42Å; Y21-R54 WeakPolarHBondContact O-CB 3.49Å; Y21-R54 PolarHBondContact O-N 3.4Å; D22-R54 IonicContact OD2-CZ 3.16Å; D22-R54 IonicContact OD2-NE 2.88Å; D22-R54 PolarHBondContact OD2-NE 2.84Å; D22-R54 IonicContact OD2-NH2 2.74Å; D22-R54 PolarHBondContact OD2-NH2 2.9Å; R54-F134 WeakPolarHBondContact CA-O 3.25Å |
| 55 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.2 | -173.9 | -56.5 | 94.7 | 0 | 0 | 0 | 109.5 | I18 V19 A53 M57 V68 R133 F134 V136 L173 | I18-I55 HydrophobicContact CG2-CG2 3.72Å; V19-I55 CarbonylContact O-C 3.56Å; V19-I55 WeakPolarHBondContact O-CA 3.49Å; A53-I55 HydrophobicContact CB-CD1 4.05Å; A53-I55 VanDerWaalsContact O-CD1 3.29Å; A53-I55 WeakPolarHBondContact O-CD1 3.47Å; I55-M57 HydrophobicContact CG2-CG 4.07Å; I55-V68 HydrophobicContact CG1-CG1 4.48Å; I55-R133 WeakPolarHBondContact O-CA 3.38Å; I55-F134 HydrophobicContact CB-CD2 4.46Å; I55-F134 HydrophobicContact CB-CE1 4.2Å; I55-F134 HydrophobicContact CB-CE2 3.88Å; I55-F134 HydrophobicContact CB-CZ 3.72Å; I55-F134 HydrophobicContact CD1-CD2 4.31Å; I55-F134 HydrophobicContact CD1-CE2 3.9Å; I55-F134 HydrophobicContact CG1-CE2 4.31Å; I55-F134 HydrophobicContact CG2-CE1 4.21Å; I55-F134 HydrophobicContact CG2-CE2 4.38Å; I55-F134 HydrophobicContact CG2-CZ 3.77Å; I55-F134 PolarHBondContact N-O 2.94Å; I55-F134 PolarHBondContact O-N 2.84Å; I55-F134 VanDerWaalsContact O-N 3.1Å; I55-V136 HydrophobicContact CD1-CG2 3.54Å; I55-L173 HydrophobicContact CD1-CD2 4.36Å; I55-L173 HydrophobicContact CG1-CD2 4.24Å |
| 56 | V | 98.3 | Very high | 97 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 110.7 | 161.2 | -166.6 | 0 | 0 | 0 | 0 | 108.1 | V19 Y21 P131 S132 R133 | V19-V56 HydrophobicContact CB-CB 4.09Å; V19-V56 HydrophobicContact CB-CG2 4.29Å; V19-V56 PolarHBondContact N-O 3.1Å; V19-V56 PolarHBondContact O-N 2.97Å; Y21-V56 HydrophobicContact CD1-CG2 3.98Å; Y21-V56 HydrophobicContact CE1-CG2 3.39Å; V56-P131 HydrophobicContact CG1-CB 3.7Å; V56-S132 CarbonylContact C-O 3.56Å; V56-S132 WeakPolarHBondContact CA-O 3.4Å; V56-R133 HydrophobicContact CG1-CG 4.2Å; V56-R133 HydrophobicContact CG2-CG 4.1Å |
| 57 | M | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 139.3 | 170.2 | -78.5 | -70.4 | -73.2 | 0 | 0 | 110 | I13 I18 I55 W66 V68 L124 P131 S132 F134 | I13-M57 HydrophobicContact CD1-CE 4.32Å; I18-M57 HydrophobicContact CB-SD 4.31Å; I18-M57 HydrophobicContact CD1-CE 4.19Å; I18-M57 HydrophobicContact CD1-SD 3.56Å; I18-M57 VanDerWaalsContact CD1-SD 3.56Å; I18-M57 HydrophobicContact CG1-SD 3.61Å; I18-M57 HydrophobicContact CG2-SD 3.75Å; I55-M57 HydrophobicContact CG2-CG 4.07Å; M57-W66 HydrophobicContact CE-CB 4.13Å; M57-W66 HydrophobicContact CE-CD2 4.48Å; M57-W66 HydrophobicContact CE-CG 4.25Å; M57-V68 HydrophobicContact CE-CG2 4.15Å; M57-V68 HydrophobicContact CG-CG2 4.09Å; M57-V68 HydrophobicContact SD-CG2 3.92Å; M57-L124 HydrophobicContact CB-CD1 3.74Å; M57-L124 HydrophobicContact CG-CD1 3.65Å; M57-P131 CarbonylContact O-C 3.58Å; M57-P131 WeakPolarHBondContact O-CA 3.31Å; M57-P131 WeakPolarHBondContact O-CB 3.38Å; M57-S132 PolarHBondContact N-O 2.67Å; M57-S132 PolarHBondContact O-N 2.79Å; M57-F134 HydrophobicContact CB-CE1 3.98Å; M57-F134 HydrophobicContact CG-CE1 3.48Å; M57-F134 VanDerWaalsContact CG-CE1 3.48Å; M57-F134 HydrophobicContact CG-CZ 3.62Å |
| 58 | P | 97.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 39 Ų | 39 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 166.4 | 174 | 32.2 | -36.4 | 0 | 0 | 0 | 110.7 | I13 N17 I60 | I13-P58 HydrophobicContact CD1-CG 4.06Å; I13-P58 HydrophobicContact CG1-CG 3.97Å; I13-P58 HydrophobicContact CG2-CG 3.95Å; N17-P58 HydrophobicContact CB-CB 4.19Å; N17-P58 HydrophobicContact CB-CG 3.89Å; N17-P58 WeakPolarHBondContact O-CD 3.29Å; P58-I60 PolarHBondContact O-N 2.81Å |
| 59 | P | 96.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -49.2 | 130.2 | 168.8 | -27.4 | 36.3 | 0 | 0 | 0 | 111.5 | T128 | P59-T128 WeakPolarHBondContact CA-OG1 3.46Å; P59-T128 WeakPolarHBondContact CB-O 3.2Å |
| 60 | I | 95.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -93.1 | 128.5 | -176.1 | -58.2 | -173 | 0 | 0 | 0 | 109 | I13 P58 E64 W66 L124 P127 T128 | I13-I60 HydrophobicContact CD1-CG1 4.03Å; P58-I60 PolarHBondContact O-N 2.81Å; I60-E64 HydrophobicContact CG2-CB 3.75Å; I60-E64 WeakPolarHBondContact CG2-O 3.33Å; I60-W66 HydrophobicContact CD1-CB 4.34Å; I60-L124 HydrophobicContact CD1-CB 3.22Å; I60-L124 HydrophobicContact CD1-CD1 3.92Å; I60-L124 HydrophobicContact CD1-CG 4.22Å; I60-P127 CarbonylContact O-C 3.56Å; I60-P127 VanDerWaalsContact O-CA 3.25Å; I60-P127 WeakPolarHBondContact O-CA 3.36Å; I60-T128 HydrophobicContact CB-CG2 4.48Å; I60-T128 PolarHBondContact N-OG1 2.83Å; I60-T128 PolarHBondContact O-N 3.48Å |
| 61 | P | 93.5 | Very high | 97.1 | Very high | 25 Ų | 25 | 31.9 Ų | 31.9 | 16% | 0.162 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 157.7 | 176.5 | -25.1 | 35.5 | 0 | 0 | 0 | 113.3 | N63 E64 G126 | P61-N63 PolarHBondContact O-N 2.93Å; P61-E64 HydrophobicContact CB-CG 4.28Å; P61-E64 WeakPolarHBondContact CG-OE1 3.36Å; P61-E64 PolarHBondContact O-N 2.86Å; P61-G126 WeakPolarHBondContact O-CA 3.48Å |
| 62 | R | 93.8 | Very high | 97.1 | Very high | 177 Ų | 177 | 31.9 Ų | 31.9 | 67% | 0.668 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 138.8 | 173.6 | -177 | -176.2 | -64.8 | -89.9 | 1.8 | 110.3 | E64 P127 | R62-E64 PolarHBondContact O-N 3.49Å; R62-P127 HydrophobicContact CB-CB 4.13Å; R62-P127 HydrophobicContact CB-CG 4.36Å |
| 63 | N | 91.8 | Very high | 97.1 | Very high | 142 Ų | 142 | 30 Ų | 30 | 76% | 0.759 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 18.6 | 178.9 | -52.5 | -20.7 | 0 | 0 | 0 | 114.5 | P61 | P61-N63 PolarHBondContact O-N 2.93Š|
| 64 | E | 95.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 30.1 Ų | 30.1 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | trans | -105.2 | 138.2 | 166.4 | -71.1 | -172.3 | -151.2 | 0 | 0 | 110.4 | I60 P61 R62 W66 G126 | I60-E64 HydrophobicContact CG2-CB 3.75Å; I60-E64 WeakPolarHBondContact CG2-O 3.33Å; P61-E64 HydrophobicContact CB-CG 4.28Å; P61-E64 WeakPolarHBondContact CG-OE1 3.36Å; P61-E64 PolarHBondContact O-N 2.86Å; R62-E64 PolarHBondContact O-N 3.49Å; E64-W66 PolarHBondContact OE2-NE1 3.41Å; E64-G126 PolarHBondContact O-N 2.88Å | ||
| 65 | T | 97.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 20% | 0.202 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 127.8 | 170.2 | -62.7 | 0 | 0 | 0 | 0 | 108.2 | T123 L124 T125 N177 T178 | T65-T123 HydrophobicContact CG2-CG2 3.65Å; T65-L124 WeakPolarHBondContact CA-O 3.21Å; T65-T125 PolarHBondContact OG1-OG1 3.23Å; T65-N177 WeakPolarHBondContact O-CA 3.41Å; T65-T178 WeakPolarHBondContact CB-OG1 3.24Å; T65-T178 HydrophobicContact CG2-CG2 4Å; T65-T178 PolarHBondContact O-N 2.88Å; T65-T178 PolarHBondContact O-OG1 3.03Å |
| 66 | W | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.6 | 178.8 | -73 | 81.2 | 0 | 0 | 0 | 109.7 | I13 M57 I60 E64 L124 A175 L176 N177 E182 I184 | I13-W66 HydrophobicContact CB-CH2 4.47Å; I13-W66 HydrophobicContact CB-CZ2 3.9Å; I13-W66 HydrophobicContact CG2-CZ2 4.36Å; M57-W66 HydrophobicContact CE-CB 4.13Å; M57-W66 HydrophobicContact CE-CD2 4.48Å; M57-W66 HydrophobicContact CE-CG 4.25Å; I60-W66 HydrophobicContact CD1-CB 4.34Å; E64-W66 PolarHBondContact OE2-NE1 3.41Å; W66-L124 PolarHBondContact N-O 3.09Å; W66-L124 PolarHBondContact O-N 3.21Å; W66-A175 HydrophobicContact CE3-CB 3.96Å; W66-A175 HydrophobicContact CZ3-CB 4.19Å; W66-L176 CarbonylContact C-O 3.55Å; W66-L176 WeakPolarHBondContact CA-O 3.23Å; W66-L176 VanDerWaalsContact CE3-C 3.47Å; W66-N177 HydrophobicContact CD2-CB 3.96Å; W66-N177 HydrophobicContact CE3-CB 4.05Å; W66-N177 VanDerWaalsContact CE3-N 3.35Å; W66-N177 HydrophobicContact CH2-CB 3.88Å; W66-N177 HydrophobicContact CZ2-CB 3.77Å; W66-N177 HydrophobicContact CZ3-CB 4.01Å; W66-N177 PolarHBondContact NE1-ND2 2.93Å; W66-E182 HydrophobicContact CH2-CB 4.34Å; W66-E182 HydrophobicContact CH2-CG 3.97Å; W66-I184 HydrophobicContact CH2-CD1 3.6Å; W66-I184 HydrophobicContact CH2-CG1 4.16Å; W66-I184 HydrophobicContact CZ3-CD1 3.75Å; W66-I184 HydrophobicContact CZ3-CG1 4.07Å |
| 67 | V | 98.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.8 | 169.7 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | W114 T121 V122 T123 A175 L176 T178 | V67-W114 HydrophobicContact CB-CH2 4.32Å; V67-W114 HydrophobicContact CB-CZ2 3.61Å; V67-W114 HydrophobicContact CG1-CD2 4.37Å; V67-W114 HydrophobicContact CG1-CH2 4.07Å; V67-W114 HydrophobicContact CG1-CZ2 3.41Å; V67-W114 VanDerWaalsContact CG1-CZ2 3.41Å; V67-W114 WeakPolarHBondContact O-CH2 3.37Å; V67-T121 HydrophobicContact CG1-CG2 4.24Å; V67-V122 WeakPolarHBondContact CA-O 3.44Å; V67-T123 HydrophobicContact CG2-CG2 4.21Å; V67-A175 CarbonylContact O-C 3.51Å; V67-A175 WeakPolarHBondContact O-CA 3.45Å; V67-L176 PolarHBondContact N-O 2.77Å; V67-L176 PolarHBondContact O-N 3.22Å; V67-T178 HydrophobicContact CG2-CG2 3.65Å |
| 68 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.6 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | I55 M57 T121 V122 F134 L173 V174 A175 L186 | I55-V68 HydrophobicContact CG1-CG1 4.48Å; M57-V68 HydrophobicContact CE-CG2 4.15Å; M57-V68 HydrophobicContact CG-CG2 4.09Å; M57-V68 HydrophobicContact SD-CG2 3.92Å; V68-T121 CarbonylContact O-C 3.57Å; V68-T121 VanDerWaalsContact O-CA 3.25Å; V68-T121 WeakPolarHBondContact O-CA 3.26Å; V68-V122 PolarHBondContact N-O 3.15Å; V68-V122 PolarHBondContact O-N 2.86Å; V68-F134 HydrophobicContact CB-CE2 3.81Å; V68-F134 HydrophobicContact CB-CZ 3.79Å; V68-F134 HydrophobicContact CG1-CE2 3.91Å; V68-F134 HydrophobicContact CG1-CZ 3.99Å; V68-F134 HydrophobicContact CG2-CE2 4.38Å; V68-F134 HydrophobicContact CG2-CZ 3.84Å; V68-L173 HydrophobicContact CG1-CD1 4.46Å; V68-V174 CarbonylContact C-O 3.59Å; V68-V174 VanDerWaalsContact CA-O 3.27Å; V68-V174 WeakPolarHBondContact CA-O 3.15Å; V68-A175 HydrophobicContact CG2-CB 3.85Å; V68-L186 HydrophobicContact CG1-CD1 3.94Å |
| 69 | G | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -170.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E120 V174 | G69-E120 CarbonylContact C-O 3.55Å; G69-E120 WeakPolarHBondContact CA-O 3.3Å; G69-V174 PolarHBondContact N-O 2.84Å; G69-V174 PolarHBondContact O-N 2.79Å |
| 70 | W | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 131.9 | -175.4 | -61.3 | 106.7 | 0 | 0 | 0 | 112.6 | A51 A53 Y115 E120 V136 M138 T171 W172 L173 V189 | A51-W70 HydrophobicContact CB-CH2 4.17Å; A51-W70 HydrophobicContact CB-CZ2 4.1Å; A51-W70 HydrophobicContact CB-CZ3 4.48Å; A53-W70 HydrophobicContact CB-CH2 4.22Å; A53-W70 HydrophobicContact CB-CZ2 3.86Å; W70-Y115 PolarHBondContact O-N 2.94Å; W70-E120 PolarHBondContact N-O 2.95Å; W70-V136 PolarHBondContact NE1-O 3.04Å; W70-M138 HydrophobicContact CB-CB 4.36Å; W70-M138 HydrophobicContact CB-CG 4.18Å; W70-M138 HydrophobicContact CB-SD 3.53Å; W70-M138 VanDerWaalsContact CB-SD 3.53Å; W70-M138 HydrophobicContact CD2-CG 4.31Å; W70-M138 HydrophobicContact CD2-SD 4.2Å; W70-M138 HydrophobicContact CG-CB 4.19Å; W70-M138 HydrophobicContact CG-CG 3.88Å; W70-M138 HydrophobicContact CG-SD 3.76Å; W70-T171 HydrophobicContact CD2-CG2 4.46Å; W70-T171 HydrophobicContact CE3-CG2 3.73Å; W70-T171 HydrophobicContact CZ3-CG2 4.34Å; W70-W172 WeakPolarHBondContact CA-O 3.46Å; W70-L173 HydrophobicContact CD2-CD1 4.11Å; W70-L173 HydrophobicContact CE3-CB 3.88Å; W70-L173 HydrophobicContact CE3-CD1 4.25Å; W70-L173 HydrophobicContact CH2-CB 3.98Å; W70-L173 HydrophobicContact CH2-CD1 4.32Å; W70-L173 HydrophobicContact CH2-CD2 4.49Å; W70-L173 HydrophobicContact CH2-CG 4.48Å; W70-L173 HydrophobicContact CZ2-CD1 4.13Å; W70-L173 HydrophobicContact CZ3-CB 3.57Å; W70-L173 HydrophobicContact CZ3-CD1 4.38Å; W70-L173 HydrophobicContact CZ3-CG 4.46Å; W70-V189 HydrophobicContact CZ3-CG2 4.5Å |
| 71 | I | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134 | 169.1 | -59.9 | 179.7 | 0 | 0 | 0 | 106.9 | P113 W114 T171 W172 V174 I229 L234 | I71-P113 HydrophobicContact CD1-CB 3.85Å; I71-P113 HydrophobicContact CD1-CG 3.4Å; I71-P113 VanDerWaalsContact CD1-CG 3.4Å; I71-P113 HydrophobicContact CG1-CB 4.19Å; I71-P113 HydrophobicContact CG1-CG 3.93Å; I71-P113 HydrophobicContact CG2-CB 4.33Å; I71-W114 HydrophobicContact CD1-CE3 4.48Å; I71-W114 HydrophobicContact CD1-CZ3 4.24Å; I71-W114 HydrophobicContact CG1-CE3 3.82Å; I71-W114 HydrophobicContact CG1-CZ3 3.91Å; I71-T171 CarbonylContact O-C 3.46Å; I71-T171 VanDerWaalsContact O-CA 3.26Å; I71-T171 WeakPolarHBondContact O-CA 3.44Å; I71-W172 HydrophobicContact CB-CE3 4.43Å; I71-W172 HydrophobicContact CG2-CE3 4.09Å; I71-W172 PolarHBondContact N-O 2.8Å; I71-W172 PolarHBondContact O-N 2.71Å; I71-V174 HydrophobicContact CD1-CB 4.1Å; I71-V174 HydrophobicContact CD1-CG1 4.42Å; I71-V174 HydrophobicContact CD1-CG2 3.77Å; I71-V174 HydrophobicContact CG1-CG2 4.26Å; I71-I229 HydrophobicContact CD1-CD1 4.18Å; I71-L234 HydrophobicContact CD1-CD2 3.85Å |
| 72 | Q | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.6 | 175.5 | -177.5 | 164.1 | -82.6 | 0 | 0 | 110.3 | D106 Y115 M138 D140 F169 T170 T171 | Q72-D106 HydrophobicContact CB-CB 4.16Å; Q72-D106 HydrophobicContact CG-CB 3.99Å; Q72-D106 PolarHBondContact NE2-OD2 3.34Å; Q72-D106 PolarHBondContact O-N 3.44Å; Q72-Y115 HydrophobicContact CB-CD2 3.85Å; Q72-Y115 HydrophobicContact CB-CG 4.44Å; Q72-M138 HydrophobicContact CB-CE 4.4Å; Q72-M138 VanDerWaalsContact OE1-CE 3.25Å; Q72-D140 PolarHBondContact NE2-OD2 3Å; Q72-F169 HydrophobicContact CG-CB 4.3Å; Q72-F169 HydrophobicContact CG-CD1 4.08Å; Q72-T170 WeakPolarHBondContact CA-O 3.38Å; Q72-T171 PolarHBondContact OE1-OG1 3.42Å |
| 73 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A103 I104 F169 T170 W172 A233 | A73-A103 HydrophobicContact CB-CB 3.79Å; A73-I104 CarbonylContact C-O 3.58Å; A73-I104 WeakPolarHBondContact CA-O 3.37Å; A73-I104 WeakPolarHBondContact CB-O 3.28Å; A73-F169 VanDerWaalsContact O-CA 3.32Å; A73-F169 WeakPolarHBondContact O-CA 3.3Å; A73-T170 PolarHBondContact N-O 2.91Å; A73-T170 PolarHBondContact O-N 2.95Å; A73-W172 HydrophobicContact CB-CH2 4.01Å; A73-W172 HydrophobicContact CB-CZ3 3.69Å; A73-A233 HydrophobicContact CB-CB 3.63Å |
| 74 | C | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.3 | 168.9 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | Q76 L93 A103 I104 F169 | C74-Q76 PolarHBondContact SG-O 3.49Å; C74-Q76 VanDerWaalsContact SG-O 3.37Å; C74-L93 HydrophobicContact CB-CD1 4.07Å; C74-A103 CarbonylContact O-C 3.54Å; C74-A103 WeakPolarHBondContact O-CA 3.42Å; C74-I104 PolarHBondContact N-O 3.46Å; C74-I104 PolarHBondContact O-N 2.81Å; C74-F169 HydrophobicContact CB-CD1 4.25Å; C74-F169 HydrophobicContact CB-CE1 4.02Å |
| 75 | T | 97.8 | Very high | 97 | Very high | 45 Ų | 45 | 26.9 Ų | 26.9 | 28% | 0.276 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -16.4 | -176.3 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | A103 S168 | T75-A103 HydrophobicContact CG2-CB 3.99Å; T75-S168 PolarHBondContact N-O 2.88Å; T75-S168 VanDerWaalsContact OG1-C 3.3Å; T75-S168 PolarHBondContact OG1-O 3.34Å |
| 76 | Q | 97.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 35% | 0.346 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 139 | 171 | 179.8 | -174.4 | -20.6 | 0 | 0 | 107.8 | C74 Q167 S168 | C74-Q76 PolarHBondContact SG-O 3.49Å; C74-Q76 VanDerWaalsContact SG-O 3.37Å; Q76-Q167 VanDerWaalsContact O-CA 3.29Å; Q76-Q167 WeakPolarHBondContact O-CA 3.41Å; Q76-S168 PolarHBondContact N-O 3.01Å; Q76-S168 PolarHBondContact O-N 2.72Å |
| 77 | M | 96.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 121.9 | 174.3 | 173.7 | 167.3 | -176.1 | 0 | 0 | 112.5 | F79 W91 L93 Q167 | M77-F79 HydrophobicContact CE-CB 3.97Å; M77-F79 HydrophobicContact CE-CD1 4.14Å; M77-W91 HydrophobicContact CE-CB 3.42Å; M77-W91 VanDerWaalsContact CE-CB 3.42Å; M77-W91 WeakPolarHBondContact CE-O 3.49Å; M77-L93 HydrophobicContact CB-CD1 4.19Å; M77-L93 HydrophobicContact SD-CD1 3.72Å; M77-L93 HydrophobicContact SD-CG 3.78Å; M77-Q167 HydrophobicContact CB-CG 4.09Å; M77-Q167 VanDerWaalsContact CE-NE2 3.29Å; M77-Q167 HydrophobicContact CG-CG 3.96Å; M77-Q167 VanDerWaalsContact CG-NE2 3.27Å; M77-Q167 PolarHBondContact SD-NE2 3.12Å |
| 78 | E | 96.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 27% | 0.271 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.4 | 160.3 | -68.7 | -180 | -171.1 | 0 | 0 | 107.6 | Y80 R165 D166 | E78-Y80 HydrophobicContact CB-CD2 4.26Å; E78-Y80 HydrophobicContact CB-CE2 3.67Å; E78-Y80 HydrophobicContact CG-CE2 3.95Å; E78-R165 CarbonylContact O-C 3.58Å; E78-R165 VanDerWaalsContact O-CA 3.28Å; E78-R165 WeakPolarHBondContact O-CA 3.37Å; E78-D166 HydrophobicContact CB-CB 4.1Å; E78-D166 PolarHBondContact N-O 2.94Å; E78-D166 PolarHBondContact O-N 3.23Å |
| 79 | F | 97.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 100.6 | 172.9 | -174 | -175.2 | 0 | 0 | 0 | 109.3 | M77 N81 S90 W91 P144 V146 I163 K164 R165 | M77-F79 HydrophobicContact CE-CB 3.97Å; M77-F79 HydrophobicContact CE-CD1 4.14Å; F79-N81 WeakPolarHBondContact CE2-OD1 3.42Å; F79-S90 CarbonylContact O-C 3.58Å; F79-S90 WeakPolarHBondContact O-CA 2.97Å; F79-S90 VanDerWaalsContact O-CB 3.24Å; F79-S90 WeakPolarHBondContact O-CB 3.25Å; F79-W91 HydrophobicContact CB-CB 4.14Å; F79-W91 HydrophobicContact CD1-CB 3.68Å; F79-W91 AromaticContact CD1-CD1 3.5Å; F79-W91 AromaticContact CD1-CG 3.87Å; F79-W91 HydrophobicContact CD1-CG 3.87Å; F79-W91 HydrophobicContact CE1-CB 4.43Å; F79-W91 AromaticContact CE1-CD1 3.39Å; F79-W91 HydrophobicContact CE1-CG 4.13Å; F79-W91 HydrophobicContact CG-CB 4.18Å; F79-W91 PolarHBondContact O-N 3.24Å; F79-P144 HydrophobicContact CZ-CB 4.44Å; F79-P144 HydrophobicContact CZ-CG 4.41Å; F79-V146 HydrophobicContact CE2-CG2 4.43Å; F79-V146 HydrophobicContact CZ-CG2 4.14Å; F79-I163 HydrophobicContact CD2-CG2 4.49Å; F79-I163 HydrophobicContact CE2-CG2 3.88Å; F79-K164 CarbonylContact C-O 3.55Å; F79-K164 WeakPolarHBondContact CA-O 3.35Å; F79-R165 HydrophobicContact CB-CG 4.25Å; F79-R165 HydrophobicContact CD2-CB 4.06Å; F79-R165 HydrophobicContact CD2-CG 4.28Å; F79-R165 HydrophobicContact CG-CB 4.41Å; F79-R165 HydrophobicContact CG-CG 4.15Å |
| 80 | Y | 97.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 32.5 Ų | 32.5 | 31% | 0.306 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139 | -175.3 | -56 | -74.7 | 0 | 0 | 0 | 111.4 | E78 M88 S89 I163 K164 | E78-Y80 HydrophobicContact CB-CD2 4.26Å; E78-Y80 HydrophobicContact CB-CE2 3.67Å; E78-Y80 HydrophobicContact CG-CE2 3.95Å; Y80-M88 HydrophobicContact CD1-SD 3.92Å; Y80-M88 HydrophobicContact CE1-SD 4.47Å; Y80-S89 CarbonylContact C-O 3.54Å; Y80-S89 WeakPolarHBondContact CA-O 3.4Å; Y80-I163 WeakPolarHBondContact O-CA 3.46Å; Y80-K164 PolarHBondContact N-O 2.87Å; Y80-K164 PolarHBondContact O-N 2.93Å |
| 81 | N | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.6 | 168.7 | -46.2 | -60.1 | 0 | 0 | 0 | 108.2 | F79 Y83 M88 S89 V146 L160 R162 | F79-N81 WeakPolarHBondContact CE2-OD1 3.42Å; N81-Y83 HydrophobicContact CB-CE2 3.82Å; N81-Y83 WeakPolarHBondContact O-CD2 3.32Å; N81-Y83 WeakPolarHBondContact O-CE2 3.49Å; N81-M88 CarbonylContact O-C 3.53Å; N81-M88 WeakPolarHBondContact O-CA 3.26Å; N81-M88 WeakPolarHBondContact O-CB 3.48Å; N81-S89 WeakPolarHBondContact CB-OG 3.39Å; N81-S89 PolarHBondContact N-O 2.96Å; N81-S89 PolarHBondContact ND2-OG 3.05Å; N81-S89 VanDerWaalsContact ND2-OG 3.08Å; N81-S89 PolarHBondContact O-N 2.99Å; N81-V146 HydrophobicContact CB-CG1 4.13Å; N81-V146 WeakPolarHBondContact OD1-CG1 3.27Å; N81-L160 HydrophobicContact CB-CD1 3.83Å; N81-R162 CarbonylContact C-O 3.57Å; N81-R162 WeakPolarHBondContact CA-O 3.36Å |
| 82 | T | 98.2 | Very high | 96.5 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.7 | -177 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | T161 R162 | T82-T161 PolarHBondContact O-N 2.88Å; T82-T161 PolarHBondContact O-OG1 2.87Å; T82-R162 PolarHBondContact N-O 3.25Å; T82-R162 PolarHBondContact O-N 2.76Å |
| 83 | Y | 96.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 75.2 | -177.3 | -61.4 | -94.4 | 0 | 0 | 0 | 110.9 | N81 I86 G87 T147 A149 V150 L159 L160 W247 | N81-Y83 HydrophobicContact CB-CE2 3.82Å; N81-Y83 WeakPolarHBondContact O-CD2 3.32Å; N81-Y83 WeakPolarHBondContact O-CE2 3.49Å; Y83-I86 VanDerWaalsContact O-CB 3.3Å; Y83-I86 WeakPolarHBondContact O-CB 3.49Å; Y83-I86 PolarHBondContact O-N 3.05Å; Y83-I86 VanDerWaalsContact O-N 3.13Å; Y83-G87 PolarHBondContact N-O 2.85Å; Y83-T147 PolarHBondContact OH-O 2.83Å; Y83-T147 PolarHBondContact OH-OG1 2.63Å; Y83-A149 VanDerWaalsContact CE1-C 3.42Å; Y83-A149 WeakPolarHBondContact CE1-O 3.48Å; Y83-V150 HydrophobicContact CD1-CG2 4.01Å; Y83-V150 HydrophobicContact CG-CG2 3.92Å; Y83-L159 CarbonylContact C-O 3.47Å; Y83-L159 WeakPolarHBondContact CA-O 3.28Å; Y83-L159 HydrophobicContact CD1-CB 4.24Å; Y83-L160 HydrophobicContact CD1-CB 4.15Å; Y83-L160 HydrophobicContact CD1-CD1 4.44Å; Y83-L160 HydrophobicContact CE1-CB 4.02Å; Y83-L160 HydrophobicContact CE1-CD1 4.03Å; Y83-W247 HydrophobicContact CD2-CH2 4.21Å; Y83-W247 AromaticContact CD2-CZ3 3.59Å; Y83-W247 HydrophobicContact CD2-CZ3 3.59Å; Y83-W247 HydrophobicContact CE2-CZ3 4.02Å; Y83-W247 HydrophobicContact CG-CZ3 4.31Å |
| 84 | N | 89.7 | Confident | 96.3 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 36% | 0.358 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | 48.7 | -144.7 | -172.9 | -79 | -49.6 | 0 | 0 | 0 | 110.6 | I86 L159 T161 | N84-I86 PolarHBondContact O-N 2.67Å; N84-L159 PolarHBondContact N-O 2.77Å; N84-T161 HydrophobicContact CB-CG2 4.21Å; N84-T161 VanDerWaalsContact CG-CG2 3.44Å; N84-T161 PolarHBondContact N-OG1 3.49Å; N84-T161 WeakPolarHBondContact OD1-CG2 3.35Å |
| 85 | D | 89.4 | Confident | 96.1 | Very high | 118 Ų | 118 | 42.7 Ų | 42.7 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -78.7 | 5.5 | 179.1 | -46.8 | -2.4 | 0 | 0 | 0 | 113.3 | R250 | D85-R250 WeakPolarHBondContact O-CB 3.36Å; D85-R250 WeakPolarHBondContact O-CD 3.49Å |
| 86 | I | 93.6 | Very high | 96 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -83.5 | -39.8 | -173.3 | -56.6 | 171.4 | 0 | 0 | 0 | 110.2 | Y83 N84 V150 L159 W247 R250 | Y83-I86 VanDerWaalsContact O-CB 3.3Å; Y83-I86 WeakPolarHBondContact O-CB 3.49Å; Y83-I86 PolarHBondContact O-N 3.05Å; Y83-I86 VanDerWaalsContact O-N 3.13Å; N84-I86 PolarHBondContact O-N 2.67Å; I86-V150 HydrophobicContact CG2-CG2 4.33Å; I86-L159 HydrophobicContact CD1-CD1 3.61Å; I86-L159 HydrophobicContact CD1-CD2 4.01Å; I86-L159 HydrophobicContact CD1-CG 4.26Å; I86-W247 HydrophobicContact CG2-CH2 4.23Å; I86-W247 HydrophobicContact CG2-CZ2 4.05Å; I86-R250 WeakPolarHBondContact O-CB 3.29Å; I86-R250 PolarHBondContact O-N 3.46Å |
| 87 | G | 95.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.5 | -165.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y83 R248 | Y83-G87 PolarHBondContact N-O 2.85Å; G87-R248 VanDerWaalsContact CA-O 3.31Å; G87-R248 WeakPolarHBondContact CA-O 3.35Å |
| 88 | M | 97.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.4 | 176.5 | 69.8 | 177.8 | 73.8 | 0 | 0 | 111.4 | Y80 N81 W247 R248 | Y80-M88 HydrophobicContact CD1-SD 3.92Å; Y80-M88 HydrophobicContact CE1-SD 4.47Å; N81-M88 CarbonylContact O-C 3.53Å; N81-M88 WeakPolarHBondContact O-CA 3.26Å; N81-M88 WeakPolarHBondContact O-CB 3.48Å; M88-W247 VanDerWaalsContact O-CE3 3.24Å; M88-R248 HydrophobicContact CG-CB 4.03Å; M88-R248 PolarHBondContact N-O 2.82Å; M88-R248 PolarHBondContact O-N 3.04Å |
| 89 | S | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 154.5 | 159.7 | 71.2 | 0 | 0 | 0 | 0 | 110.6 | Y80 N81 M246 | Y80-S89 CarbonylContact C-O 3.54Å; Y80-S89 WeakPolarHBondContact CA-O 3.4Å; N81-S89 WeakPolarHBondContact CB-OG 3.39Å; N81-S89 PolarHBondContact N-O 2.96Å; N81-S89 PolarHBondContact ND2-OG 3.05Å; N81-S89 VanDerWaalsContact ND2-OG 3.08Å; N81-S89 PolarHBondContact O-N 2.99Å; S89-M246 CarbonylContact C-O 3.55Å; S89-M246 WeakPolarHBondContact CA-O 3.43Å; S89-M246 WeakPolarHBondContact CB-O 3.34Å |
| 90 | S | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 139.6 | 172.7 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | F79 E92 L245 M246 R248 | F79-S90 CarbonylContact O-C 3.58Å; F79-S90 WeakPolarHBondContact O-CA 2.97Å; F79-S90 VanDerWaalsContact O-CB 3.24Å; F79-S90 WeakPolarHBondContact O-CB 3.25Å; S90-E92 WeakPolarHBondContact CB-OE1 3.48Å; S90-E92 PolarHBondContact OG-OE1 2.79Å; S90-L245 WeakPolarHBondContact O-CA 3.41Å; S90-M246 PolarHBondContact N-O 3.42Å; S90-M246 PolarHBondContact O-N 2.76Å; S90-R248 PolarHBondContact OG-NH1 2.83Å |
| 91 | W | 97.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.7 | 163 | -73 | 100.5 | 0 | 0 | 0 | 108.4 | M77 F79 Q243 V244 L245 I258 | M77-W91 HydrophobicContact CE-CB 3.42Å; M77-W91 VanDerWaalsContact CE-CB 3.42Å; M77-W91 WeakPolarHBondContact CE-O 3.49Å; F79-W91 HydrophobicContact CB-CB 4.14Å; F79-W91 HydrophobicContact CD1-CB 3.68Å; F79-W91 AromaticContact CD1-CD1 3.5Å; F79-W91 AromaticContact CD1-CG 3.87Å; F79-W91 HydrophobicContact CD1-CG 3.87Å; F79-W91 HydrophobicContact CE1-CB 4.43Å; F79-W91 AromaticContact CE1-CD1 3.39Å; F79-W91 HydrophobicContact CE1-CG 4.13Å; F79-W91 HydrophobicContact CG-CB 4.18Å; F79-W91 PolarHBondContact O-N 3.24Å; W91-Q243 HydrophobicContact CE3-CB 4.13Å; W91-Q243 HydrophobicContact CE3-CG 3.71Å; W91-Q243 HydrophobicContact CZ3-CG 3.8Å; W91-V244 WeakPolarHBondContact CA-O 3.3Å; W91-L245 HydrophobicContact CD2-CB 4.2Å; W91-L245 HydrophobicContact CD2-CD1 4.08Å; W91-L245 HydrophobicContact CE3-CB 4.01Å; W91-L245 HydrophobicContact CG-CD1 4.23Å; W91-L245 HydrophobicContact CH2-CB 3.9Å; W91-L245 HydrophobicContact CZ2-CB 4.07Å; W91-L245 HydrophobicContact CZ2-CD1 4.37Å; W91-L245 HydrophobicContact CZ2-CD2 4.27Å; W91-L245 HydrophobicContact CZ2-CG 4.47Å; W91-L245 HydrophobicContact CZ3-CB 3.85Å; W91-I258 HydrophobicContact CH2-CB 4.34Å; W91-I258 HydrophobicContact CH2-CD1 3.68Å; W91-I258 HydrophobicContact CH2-CG2 4.36Å; W91-I258 HydrophobicContact CZ2-CD1 4.08Å |
| 92 | E | 96.9 | Very high | 95.1 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.1 | -172.8 | -61.1 | -177.1 | 176.4 | 0 | 0 | 110.7 | S90 P94 Q243 V244 M246 R248 | S90-E92 WeakPolarHBondContact CB-OE1 3.48Å; S90-E92 PolarHBondContact OG-OE1 2.79Å; E92-P94 WeakPolarHBondContact O-CD 3.42Å; E92-Q243 CarbonylContact O-C 3.51Å; E92-Q243 WeakPolarHBondContact O-CA 3.2Å; E92-V244 HydrophobicContact CB-CG2 3.95Å; E92-V244 PolarHBondContact N-O 2.87Å; E92-V244 PolarHBondContact O-N 2.88Å; E92-M246 HydrophobicContact CG-CG 4.44Å; E92-M246 WeakPolarHBondContact OE2-CG 3.34Å; E92-R248 VanDerWaalsContact CD-NH2 3.29Å; E92-R248 IonicContact OE1-CZ 3.58Å; E92-R248 IonicContact OE1-NH1 3.3Å; E92-R248 PolarHBondContact OE1-NH1 3.24Å; E92-R248 IonicContact OE1-NH2 2.82Å; E92-R248 PolarHBondContact OE1-NH2 3.3Å; E92-R248 IonicContact OE2-CZ 2.67Å; E92-R248 IonicContact OE2-NH1 2.63Å; E92-R248 IonicContact OE2-NH2 2.68Å; E92-R248 PolarHBondContact OE2-NH2 3.02Å |
| 93 | L | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | -111.1 | 91.7 | 168.8 | -71.6 | 168.6 | 0 | 0 | 0 | 106.6 | C74 M77 E95 L96 C97 I104 A239 A242 Q243 | C74-L93 HydrophobicContact CB-CD1 4.07Å; M77-L93 HydrophobicContact CB-CD1 4.19Å; M77-L93 HydrophobicContact SD-CD1 3.72Å; M77-L93 HydrophobicContact SD-CG 3.78Å; L93-E95 PolarHBondContact O-N 2.93Å; L93-L96 HydrophobicContact CB-CB 3.8Å; L93-L96 HydrophobicContact CB-CD2 4.31Å; L93-L96 HydrophobicContact CD1-CD2 3.83Å; L93-L96 WeakPolarHBondContact O-CA 3.15Å; L93-L96 WeakPolarHBondContact O-CB 3.2Å; L93-L96 PolarHBondContact O-N 2.85Å; L93-C97 PolarHBondContact O-N 3.32Å; L93-C97 PolarHBondContact O-SG 2.82Å; L93-C97 VanDerWaalsContact O-SG 3.36Å; L93-I104 HydrophobicContact CD1-CB 4.33Å; L93-I104 HydrophobicContact CD1-CG1 4.34Å; L93-I104 HydrophobicContact CD2-CG1 4.42Å; L93-I104 HydrophobicContact CD2-CG2 4.26Å; L93-A239 HydrophobicContact CD2-CB 4.46Å; L93-A242 HydrophobicContact CD2-CB 3.74Å; L93-Q243 HydrophobicContact CD2-CB 3.97Å | ||
| 94 | P | 94.9 | Very high | 95 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 29% | 0.286 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -53.6 | -47.9 | -166.6 | -29.6 | 36.5 | 0 | 0 | 0 | 113.8 | E92 L96 C97 E98 V244 | E92-P94 WeakPolarHBondContact O-CD 3.42Å; P94-L96 PolarHBondContact O-N 2.89Å; P94-C97 PolarHBondContact O-N 2.94Å; P94-C97 VanDerWaalsContact O-N 3.16Å; P94-E98 WeakPolarHBondContact O-CB 3.14Å; P94-E98 WeakPolarHBondContact O-CG 3.4Å; P94-E98 PolarHBondContact O-N 3.35Å; P94-V244 HydrophobicContact CG-CG1 4.04Å; P94-V244 HydrophobicContact CG-CG2 3.75Å |
| 95 | E | 94.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -33.1 | 178.6 | -63.9 | -172.2 | 179 | 0 | 0 | 113.1 | L93 G99 L100 V101 | L93-E95 PolarHBondContact O-N 2.93Å; E95-G99 PolarHBondContact O-N 3.26Å; E95-L100 HydrophobicContact CB-CB 4.39Å; E95-L100 WeakPolarHBondContact O-CB 3.21Å; E95-L100 PolarHBondContact O-N 2.98Å; E95-V101 HydrophobicContact CB-CG1 4.08Å; E95-V101 HydrophobicContact CB-CG2 3.81Å; E95-V101 PolarHBondContact O-N 2.89Å; E95-V101 WeakPolarHBondContact OE2-CG1 2.94Å |
| 96 | L | 95.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.1 | -41.6 | 177.3 | -172.3 | 67.5 | 0 | 0 | 0 | 110.8 | L93 P94 E98 G99 V101 I104 | L93-L96 HydrophobicContact CB-CB 3.8Å; L93-L96 HydrophobicContact CB-CD2 4.31Å; L93-L96 HydrophobicContact CD1-CD2 3.83Å; L93-L96 WeakPolarHBondContact O-CA 3.15Å; L93-L96 WeakPolarHBondContact O-CB 3.2Å; L93-L96 PolarHBondContact O-N 2.85Å; P94-L96 PolarHBondContact O-N 2.89Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-G99 PolarHBondContact O-N 3.46Å; L96-V101 HydrophobicContact CB-CG2 4.34Å; L96-V101 HydrophobicContact CD1-CG2 4.37Å; L96-I104 HydrophobicContact CB-CG1 4.26Å |
| 97 | C | 92.8 | Very high | 95.9 | Very high | 77 Ų | 77 | 45.1 Ų | 45.1 | 52% | 0.52 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 177.3 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | L93 P94 G99 | L93-C97 PolarHBondContact O-N 3.32Å; L93-C97 PolarHBondContact O-SG 2.82Å; L93-C97 VanDerWaalsContact O-SG 3.36Å; P94-C97 PolarHBondContact O-N 2.94Å; P94-C97 VanDerWaalsContact O-N 3.16Å; C97-G99 VanDerWaalsContact C-N 3.26Å; C97-G99 PolarHBondContact O-N 3.22Å |
| 98 | E | 93.4 | Very high | 95.7 | Very high | 138 Ų | 138 | 47.3 Ų | 47.3 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.3 | 177.5 | -68 | 176.7 | -170.9 | 0 | 0 | 113 | P94 L96 L100 | P94-E98 WeakPolarHBondContact O-CB 3.14Å; P94-E98 WeakPolarHBondContact O-CG 3.4Å; P94-E98 PolarHBondContact O-N 3.35Å; L96-E98 VanDerWaalsContact C-N 3.34Å; E98-L100 HydrophobicContact CB-CD1 4.37Å; E98-L100 HydrophobicContact CB-CG 3.97Å; E98-L100 PolarHBondContact O-N 2.8Å; E98-L100 WeakPolarHBondContact OE2-CD1 3.48Å |
| 99 | G | 93.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 61% | 0.608 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 14.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E95 L96 C97 V101 | E95-G99 PolarHBondContact O-N 3.26Å; L96-G99 PolarHBondContact O-N 3.46Å; C97-G99 VanDerWaalsContact C-N 3.26Å; C97-G99 PolarHBondContact O-N 3.22Å; G99-V101 PolarHBondContact O-N 2.97Å |
| 100 | L | 94.9 | Very high | 95.2 | Very high | 121 Ų | 121 | 50.3 Ų | 50.3 | 63% | 0.634 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -64.9 | -32 | 174.8 | -59.8 | -179.3 | 0 | 0 | 0 | 111.1 | E95 E98 | E95-L100 HydrophobicContact CB-CB 4.39Å; E95-L100 WeakPolarHBondContact O-CB 3.21Å; E95-L100 PolarHBondContact O-N 2.98Å; E98-L100 HydrophobicContact CB-CD1 4.37Å; E98-L100 HydrophobicContact CB-CG 3.97Å; E98-L100 PolarHBondContact O-N 2.8Å; E98-L100 WeakPolarHBondContact OE2-CD1 3.48Å |
| 101 | V | 95.6 | Very high | 94.9 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | trans | -128.5 | 153.2 | 176.9 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | E95 L96 G99 I104 N232 | E95-V101 HydrophobicContact CB-CG1 4.08Å; E95-V101 HydrophobicContact CB-CG2 3.81Å; E95-V101 PolarHBondContact O-N 2.89Å; E95-V101 WeakPolarHBondContact OE2-CG1 2.94Å; L96-V101 HydrophobicContact CB-CG2 4.34Å; L96-V101 HydrophobicContact CD1-CG2 4.37Å; G99-V101 PolarHBondContact O-N 2.97Å; V101-I104 HydrophobicContact CG2-CD1 3.65Å; V101-I104 HydrophobicContact CG2-CG1 4.08Å; V101-N232 HydrophobicContact CB-CB 4.41Å; V101-N232 HydrophobicContact CG1-CB 4.5Å; V101-N232 WeakPolarHBondContact CG1-ND2 3.45Å | ||
| 102 | R | 94.2 | Very high | 94.8 | Very high | 182 Ų | 182 | 50.8 Ų | 50.8 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -90.9 | -16.5 | 178.8 | -64.9 | -173.7 | -67.8 | 171.4 | -1.7 | 113.5 | ||
| 103 | A | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -162.2 | 149.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A73 C74 T75 P230 N232 | A73-A103 HydrophobicContact CB-CB 3.79Å; C74-A103 CarbonylContact O-C 3.54Å; C74-A103 WeakPolarHBondContact O-CA 3.42Å; T75-A103 HydrophobicContact CG2-CB 3.99Å; A103-P230 HydrophobicContact CB-CB 4.39Å; A103-P230 HydrophobicContact CB-CG 4.04Å; A103-N232 VanDerWaalsContact O-CB 3.28Å; A103-N232 WeakPolarHBondContact O-CB 3.38Å | ||
| 104 | I | 97.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.8 | 170.5 | -64.2 | -68.7 | 0 | 0 | 0 | 108.4 | A73 C74 L93 L96 V101 D106 A239 A242 | A73-I104 CarbonylContact C-O 3.58Å; A73-I104 WeakPolarHBondContact CA-O 3.37Å; A73-I104 WeakPolarHBondContact CB-O 3.28Å; C74-I104 PolarHBondContact N-O 3.46Å; C74-I104 PolarHBondContact O-N 2.81Å; L93-I104 HydrophobicContact CD1-CB 4.33Å; L93-I104 HydrophobicContact CD1-CG1 4.34Å; L93-I104 HydrophobicContact CD2-CG1 4.42Å; L93-I104 HydrophobicContact CD2-CG2 4.26Å; L96-I104 HydrophobicContact CB-CG1 4.26Å; V101-I104 HydrophobicContact CG2-CD1 3.65Å; V101-I104 HydrophobicContact CG2-CG1 4.08Å; I104-D106 PolarHBondContact O-N 2.79Å; I104-A239 HydrophobicContact CG2-CB 4.15Å; I104-A242 HydrophobicContact CG2-CB 4.02Å |
| 105 | S | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 137.8 | 179.2 | -169.2 | 0 | 0 | 0 | 0 | 111.2 | S107 N232 A233 G235 N238 A239 | S105-S107 WeakPolarHBondContact OG-CB 3.4Å; S105-N232 PolarHBondContact N-O 3.08Å; S105-A233 WeakPolarHBondContact CB-O 3.3Å; S105-A233 PolarHBondContact OG-O 3.29Å; S105-G235 WeakPolarHBondContact CB-O 3.45Å; S105-N238 CarbonylContact O-C 3.51Å; S105-N238 VanDerWaalsContact O-C 3.3Å; S105-N238 WeakPolarHBondContact O-CA 3.38Å; S105-A239 PolarHBondContact O-N 2.78Å |
| 106 | D | 97.1 | Very high | 95 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -110.6 | 38.5 | 174.1 | -161.2 | 32.9 | 0 | 0 | 0 | 110.7 | Q72 I104 Y115 | Q72-D106 HydrophobicContact CB-CB 4.16Å; Q72-D106 HydrophobicContact CG-CB 3.99Å; Q72-D106 PolarHBondContact NE2-OD2 3.34Å; Q72-D106 PolarHBondContact O-N 3.44Å; I104-D106 PolarHBondContact O-N 2.79Å; D106-Y115 WeakPolarHBondContact O-CD2 3.21Å | ||
| 107 | S | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -72 | 156.5 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 112 | S105 G109 W114 N238 | S105-S107 WeakPolarHBondContact OG-CB 3.4Å; S107-G109 PolarHBondContact O-N 2.8Å; S107-W114 WeakPolarHBondContact CA-O 3.15Å; S107-W114 WeakPolarHBondContact CB-O 3.2Å; S107-W114 PolarHBondContact OG-O 2.89Å; S107-N238 WeakPolarHBondContact O-CB 3.37Å; S107-N238 PolarHBondContact O-ND2 2.8Å | ||
| 108 | D | 91.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 32% | 0.316 | 28% | 0.28 | S | S | . | . | trans | -54.2 | -10.3 | 170.8 | 68.8 | -1.2 | 0 | 0 | 0 | 114.9 | V110 S111 Y115 | D108-V110 VanDerWaalsContact C-N 3.3Å; D108-V110 PolarHBondContact O-N 2.85Å; D108-V110 PolarHBondContact OD1-N 3.17Å; D108-S111 PolarHBondContact OD1-N 2.95Å; D108-S111 VanDerWaalsContact OD2-CB 3.25Å; D108-S111 WeakPolarHBondContact OD2-CB 3.25Å; D108-S111 PolarHBondContact OD2-OG 2.99Å; D108-Y115 PolarHBondContact N-O 2.82Å | ||
| 109 | G | 91.8 | Very high | 95 | Very high | 18 Ų | 18 | 48 Ų | 48 | 19% | 0.186 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 86.1 | -3.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S107 Y112 N238 | S107-G109 PolarHBondContact O-N 2.8Å; G109-Y112 VanDerWaalsContact C-CE2 3.45Å; G109-Y112 WeakPolarHBondContact O-CE2 3.41Å; G109-N238 VanDerWaalsContact CA-ND2 3.27Å; G109-N238 WeakPolarHBondContact CA-ND2 3.3Å; G109-N238 PolarHBondContact N-ND2 2.91Å |
| 110 | V | 92.1 | Very high | 95.2 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 72% | 0.721 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -120.3 | -52.2 | -176.1 | -177 | 0 | 0 | 0 | 0 | 110.4 | D108 Y112 | D108-V110 VanDerWaalsContact C-N 3.3Å; D108-V110 PolarHBondContact O-N 2.85Å; D108-V110 PolarHBondContact OD1-N 3.17Å; V110-Y112 PolarHBondContact O-N 3.43Å |
| 111 | S | 92.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 41 Ų | 41 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -101 | 44 | -168.8 | -40.4 | 0 | 0 | 0 | 0 | 112 | D108 W114 N117 | D108-S111 PolarHBondContact OD1-N 2.95Å; D108-S111 VanDerWaalsContact OD2-CB 3.25Å; D108-S111 WeakPolarHBondContact OD2-CB 3.25Å; D108-S111 PolarHBondContact OD2-OG 2.99Å; S111-W114 WeakPolarHBondContact O-CB 3.29Å; S111-W114 PolarHBondContact O-N 2.91Å; S111-N117 PolarHBondContact OG-ND2 2.89Å |
| 112 | Y | 94.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 15% | 0.153 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137 | -178.2 | -72.8 | -92.7 | 0 | 0 | 0 | 112.5 | G109 V110 G235 R236 N238 | G109-Y112 VanDerWaalsContact C-CE2 3.45Å; G109-Y112 WeakPolarHBondContact O-CE2 3.41Å; V110-Y112 PolarHBondContact O-N 3.43Å; Y112-G235 WeakPolarHBondContact CD1-O 3.16Å; Y112-G235 VanDerWaalsContact CE1-O 3.25Å; Y112-G235 WeakPolarHBondContact CE1-O 3.48Å; Y112-R236 HydrophobicContact CD2-CG 4.07Å; Y112-R236 HydrophobicContact CE1-CG 4.09Å; Y112-R236 HydrophobicContact CE2-CG 3.52Å; Y112-N238 HydrophobicContact CE1-CB 4.18Å; Y112-N238 VanDerWaalsContact OH-CB 3.32Å; Y112-N238 WeakPolarHBondContact OH-CB 3.08Å; Y112-N238 PolarHBondContact OH-N 3.38Å |
| 113 | P | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.9 | 13.5 | 6.8 | 39.8 | -38.9 | 0 | 0 | 0 | 114.4 | I71 L234 | I71-P113 HydrophobicContact CD1-CB 3.85Å; I71-P113 HydrophobicContact CD1-CG 3.4Å; I71-P113 VanDerWaalsContact CD1-CG 3.4Å; I71-P113 HydrophobicContact CG1-CB 4.19Å; I71-P113 HydrophobicContact CG1-CG 3.93Å; I71-P113 HydrophobicContact CG2-CB 4.33Å; P113-L234 HydrophobicContact CB-CB 4.36Å; P113-L234 HydrophobicContact CB-CD2 3.86Å; P113-L234 HydrophobicContact CG-CD2 4.06Å |
| 114 | W | 98 | Very high | 95.7 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 8% | 0.076 | 22% | 0.224 | C | C | . | . | trans | -73.7 | 142.7 | -168.2 | -50.2 | 117 | 0 | 0 | 0 | 111.5 | V67 I71 S107 S111 G116 T121 V174 L176 | V67-W114 HydrophobicContact CB-CH2 4.32Å; V67-W114 HydrophobicContact CB-CZ2 3.61Å; V67-W114 HydrophobicContact CG1-CD2 4.37Å; V67-W114 HydrophobicContact CG1-CH2 4.07Å; V67-W114 HydrophobicContact CG1-CZ2 3.41Å; V67-W114 VanDerWaalsContact CG1-CZ2 3.41Å; V67-W114 WeakPolarHBondContact O-CH2 3.37Å; I71-W114 HydrophobicContact CD1-CE3 4.48Å; I71-W114 HydrophobicContact CD1-CZ3 4.24Å; I71-W114 HydrophobicContact CG1-CE3 3.82Å; I71-W114 HydrophobicContact CG1-CZ3 3.91Å; S107-W114 WeakPolarHBondContact CA-O 3.15Å; S107-W114 WeakPolarHBondContact CB-O 3.2Å; S107-W114 PolarHBondContact OG-O 2.89Å; S111-W114 WeakPolarHBondContact O-CB 3.29Å; S111-W114 PolarHBondContact O-N 2.91Å; W114-G116 VanDerWaalsContact C-N 3.27Å; W114-G116 WeakPolarHBondContact CB-O 3.42Å; W114-G116 PolarHBondContact O-N 2.68Å; W114-T121 HydrophobicContact CB-CG2 3.74Å; W114-T121 HydrophobicContact CD2-CG2 3.62Å; W114-T121 HydrophobicContact CE3-CG2 3.86Å; W114-T121 HydrophobicContact CG-CG2 3.55Å; W114-V174 HydrophobicContact CZ3-CB 4.32Å; W114-L176 HydrophobicContact CH2-CB 3.75Å; W114-L176 HydrophobicContact CH2-CD2 4.36Å; W114-L176 HydrophobicContact CZ2-CB 3.71Å; W114-L176 HydrophobicContact CZ2-CD2 3.65Å; W114-L176 HydrophobicContact CZ2-CG 4.31Å | ||
| 115 | Y | 97.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -60.9 | -41.3 | 173.5 | 177.4 | -101.1 | 0 | 0 | 0 | 111 | W70 Q72 D106 D108 E120 M138 N139 D140 | W70-Y115 PolarHBondContact O-N 2.94Å; Q72-Y115 HydrophobicContact CB-CD2 3.85Å; Q72-Y115 HydrophobicContact CB-CG 4.44Å; D106-Y115 WeakPolarHBondContact O-CD2 3.21Å; D108-Y115 PolarHBondContact N-O 2.82Å; Y115-E120 HydrophobicContact CD1-CG 3.98Å; Y115-M138 HydrophobicContact CD1-CB 4.14Å; Y115-M138 HydrophobicContact CD1-CE 3.57Å; Y115-M138 HydrophobicContact CD1-SD 4.49Å; Y115-M138 HydrophobicContact CD2-CE 3.92Å; Y115-M138 HydrophobicContact CE1-CE 3.82Å; Y115-M138 HydrophobicContact CE2-CE 4.14Å; Y115-M138 HydrophobicContact CG-CE 3.64Å; Y115-N139 VanDerWaalsContact CE1-O 3.31Å; Y115-N139 WeakPolarHBondContact CE1-O 3.36Å; Y115-N139 PolarHBondContact OH-O 2.91Å; Y115-D140 HydrophobicContact CE2-CB 4.41Å; Y115-D140 VanDerWaalsContact OH-CB 3.24Å; Y115-D140 WeakPolarHBondContact OH-CB 3.08Å; Y115-D140 PolarHBondContact OH-OD1 3.48Å |
| 116 | G | 95.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | trans | -155 | -177.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W114 E120 T121 | W114-G116 VanDerWaalsContact C-N 3.27Å; W114-G116 WeakPolarHBondContact CB-O 3.42Å; W114-G116 PolarHBondContact O-N 2.68Å; G116-E120 WeakPolarHBondContact O-CB 3.36Å; G116-T121 WeakPolarHBondContact O-CG2 3.35Å | ||
| 117 | N | 92.3 | Very high | 95.6 | Very high | 97 Ų | 97 | 45.8 Ų | 45.8 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -128.7 | 11.4 | -173.9 | 67 | 5.7 | 0 | 0 | 0 | 114.3 | S111 E120 | S111-N117 PolarHBondContact OG-ND2 2.89Å; N117-E120 PolarHBondContact N-OE2 3.32Å |
| 118 | T | 93.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 47.5 Ų | 47.5 | 62% | 0.62 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -97 | -89.1 | -177.8 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | E120 | T118-E120 VanDerWaalsContact C-N 3.34Å; T118-E120 WeakPolarHBondContact CA-OE2 3.34Å; T118-E120 PolarHBondContact N-OE2 3.42Å; T118-E120 PolarHBondContact OG1-OE2 3.37Å |
| 119 | T | 96.7 | Very high | 95.5 | Very high | 66 Ų | 66 | 50 Ų | 50 | 41% | 0.405 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -87.1 | -13.3 | 175.3 | 71.5 | 0 | 0 | 0 | 0 | 112.3 | T121 V136 S137 | T119-T121 VanDerWaalsContact C-N 3.3Å; T119-T121 PolarHBondContact O-N 3.14Å; T119-V136 WeakPolarHBondContact O-CA 3.24Å; T119-S137 CarbonylContact C-O 3.56Å; T119-S137 WeakPolarHBondContact CB-OG 3.42Å; T119-S137 PolarHBondContact O-N 3.25Å; T119-S137 PolarHBondContact OG1-O 3.05Å; T119-S137 PolarHBondContact OG1-OG 2.82Å |
| 120 | E | 97.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -75.8 | -21.3 | -172.4 | -60.6 | 66.6 | -137.5 | 0 | 0 | 112.4 | G69 W70 Y115 G116 N117 T118 S137 M138 | G69-E120 CarbonylContact C-O 3.55Å; G69-E120 WeakPolarHBondContact CA-O 3.3Å; W70-E120 PolarHBondContact N-O 2.95Å; Y115-E120 HydrophobicContact CD1-CG 3.98Å; G116-E120 WeakPolarHBondContact O-CB 3.36Å; N117-E120 PolarHBondContact N-OE2 3.32Å; T118-E120 VanDerWaalsContact C-N 3.34Å; T118-E120 WeakPolarHBondContact CA-OE2 3.34Å; T118-E120 PolarHBondContact N-OE2 3.42Å; T118-E120 PolarHBondContact OG1-OE2 3.37Å; E120-S137 WeakPolarHBondContact CA-O 3.31Å; E120-S137 PolarHBondContact N-O 3.3Å; E120-S137 VanDerWaalsContact N-O 3.17Å; E120-M138 HydrophobicContact CG-CB 3.89Å |
| 121 | T | 98.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 151.4 | -176.9 | 67.6 | 0 | 0 | 0 | 0 | 112 | V67 V68 W114 G116 T119 | V67-T121 HydrophobicContact CG1-CG2 4.24Å; V68-T121 CarbonylContact O-C 3.57Å; V68-T121 VanDerWaalsContact O-CA 3.25Å; V68-T121 WeakPolarHBondContact O-CA 3.26Å; W114-T121 HydrophobicContact CB-CG2 3.74Å; W114-T121 HydrophobicContact CD2-CG2 3.62Å; W114-T121 HydrophobicContact CE3-CG2 3.86Å; W114-T121 HydrophobicContact CG-CG2 3.55Å; G116-T121 WeakPolarHBondContact O-CG2 3.35Å; T119-T121 VanDerWaalsContact C-N 3.3Å; T119-T121 PolarHBondContact O-N 3.14Å |
| 122 | V | 98.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.7 | 167.8 | 169.1 | 0 | 0 | 0 | 0 | 108.6 | V67 V68 L124 F134 V136 | V67-V122 WeakPolarHBondContact CA-O 3.44Å; V68-V122 PolarHBondContact N-O 3.15Å; V68-V122 PolarHBondContact O-N 2.86Å; V122-L124 HydrophobicContact CG1-CD2 3.96Å; V122-L124 HydrophobicContact CG1-CG 4.17Å; V122-F134 HydrophobicContact CB-CD2 3.75Å; V122-F134 HydrophobicContact CB-CE2 3.97Å; V122-F134 HydrophobicContact CB-CG 4.34Å; V122-F134 HydrophobicContact CG1-CD1 4.46Å; V122-F134 HydrophobicContact CG1-CD2 3.97Å; V122-F134 HydrophobicContact CG1-CE2 4.3Å; V122-F134 HydrophobicContact CG1-CG 4.06Å; V122-F134 HydrophobicContact CG2-CB 4.43Å; V122-F134 HydrophobicContact CG2-CD2 3.73Å; V122-F134 HydrophobicContact CG2-CE2 4.37Å; V122-F134 HydrophobicContact CG2-CG 4.3Å; V122-V136 HydrophobicContact CB-CG1 4.22Å; V122-V136 HydrophobicContact CG2-CG1 3.82Å |
| 123 | T | 98.1 | Very high | 96.3 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.4 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | T65 V67 | T65-T123 HydrophobicContact CG2-CG2 3.65Å; V67-T123 HydrophobicContact CG2-CG2 4.21Å |
| 124 | L | 97.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.6 | 177.4 | -57.2 | 170.5 | 0 | 0 | 0 | 109.3 | M57 I60 T65 W66 V122 F134 | M57-L124 HydrophobicContact CB-CD1 3.74Å; M57-L124 HydrophobicContact CG-CD1 3.65Å; I60-L124 HydrophobicContact CD1-CB 3.22Å; I60-L124 HydrophobicContact CD1-CD1 3.92Å; I60-L124 HydrophobicContact CD1-CG 4.22Å; T65-L124 WeakPolarHBondContact CA-O 3.21Å; W66-L124 PolarHBondContact N-O 3.09Å; W66-L124 PolarHBondContact O-N 3.21Å; V122-L124 HydrophobicContact CG1-CD2 3.96Å; V122-L124 HydrophobicContact CG1-CG 4.17Å; L124-F134 HydrophobicContact CD1-CD1 4.38Å; L124-F134 HydrophobicContact CD1-CE1 3.67Å; L124-F134 HydrophobicContact CD1-CZ 4.17Å |
| 125 | T | 97.5 | Very high | 96.4 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 53% | 0.534 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.5 | 179.7 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | T65 | T65-T125 PolarHBondContact OG1-OG1 3.23Å |
| 126 | G | 95.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -79.6 | 165.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P61 E64 | P61-G126 WeakPolarHBondContact O-CA 3.48Å; E64-G126 PolarHBondContact O-N 2.88Å |
| 127 | P | 95.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 64 Ų | 64 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | cis | -78.9 | 138.2 | 3.1 | 30.6 | -32.6 | 0 | 0 | 0 | 112.4 | I60 R62 | I60-P127 CarbonylContact O-C 3.56Å; I60-P127 VanDerWaalsContact O-CA 3.25Å; I60-P127 WeakPolarHBondContact O-CA 3.36Å; R62-P127 HydrophobicContact CB-CB 4.13Å; R62-P127 HydrophobicContact CB-CG 4.36Å | ||
| 128 | T | 95.2 | Very high | 96.8 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | trans | -114.3 | 143.1 | 164.1 | 69.7 | 0 | 0 | 0 | 0 | 109.6 | P59 I60 | P59-T128 WeakPolarHBondContact CA-OG1 3.46Å; P59-T128 WeakPolarHBondContact CB-O 3.2Å; I60-T128 HydrophobicContact CB-CG2 4.48Å; I60-T128 PolarHBondContact N-OG1 2.83Å; I60-T128 PolarHBondContact O-N 3.48Å | ||
| 129 | S | 91.8 | Very high | 97 | Very high | 112 Ų | 112 | 58.2 Ų | 58.2 | 78% | 0.783 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -99.6 | -16.6 | -177.1 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 130 | K | 95 | Very high | 97 | Very high | 158 Ų | 158 | 55.8 Ų | 55.8 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -125 | 153 | -179.7 | -64.2 | -178.5 | -178.1 | 177.8 | 0 | 109.7 | ||
| 131 | P | 96.7 | Very high | 97 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | trans | -58 | 138.3 | 171.2 | -21.9 | 31.9 | 0 | 0 | 0 | 111.6 | V56 M57 | V56-P131 HydrophobicContact CG1-CB 3.7Å; M57-P131 CarbonylContact O-C 3.58Å; M57-P131 WeakPolarHBondContact O-CA 3.31Å; M57-P131 WeakPolarHBondContact O-CB 3.38Å | ||
| 132 | S | 97.5 | Very high | 96.9 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129 | 177.9 | -65.9 | 0 | 0 | 0 | 0 | 110.1 | V56 M57 | V56-S132 CarbonylContact C-O 3.56Å; V56-S132 WeakPolarHBondContact CA-O 3.4Å; M57-S132 PolarHBondContact N-O 2.67Å; M57-S132 PolarHBondContact O-N 2.79Å |
| 133 | R | 98.1 | Very high | 96.8 | Very high | 179 Ų | 179 | 60.4 Ų | 60.4 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130 | 175.8 | -61.5 | -172.3 | 177.8 | 86 | -2 | 110 | I55 V56 | I55-R133 WeakPolarHBondContact O-CA 3.38Å; V56-R133 HydrophobicContact CG1-CG 4.2Å; V56-R133 HydrophobicContact CG2-CG 4.1Å |
| 134 | F | 98.2 | Very high | 96.7 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 169 | -179.1 | 57.2 | -84.4 | 0 | 0 | 0 | 110.8 | R54 I55 M57 V68 V122 L124 V136 | R54-F134 WeakPolarHBondContact CA-O 3.25Å; I55-F134 HydrophobicContact CB-CD2 4.46Å; I55-F134 HydrophobicContact CB-CE1 4.2Å; I55-F134 HydrophobicContact CB-CE2 3.88Å; I55-F134 HydrophobicContact CB-CZ 3.72Å; I55-F134 HydrophobicContact CD1-CD2 4.31Å; I55-F134 HydrophobicContact CD1-CE2 3.9Å; I55-F134 HydrophobicContact CG1-CE2 4.31Å; I55-F134 HydrophobicContact CG2-CE1 4.21Å; I55-F134 HydrophobicContact CG2-CE2 4.38Å; I55-F134 HydrophobicContact CG2-CZ 3.77Å; I55-F134 PolarHBondContact N-O 2.94Å; I55-F134 PolarHBondContact O-N 2.84Å; I55-F134 VanDerWaalsContact O-N 3.1Å; M57-F134 HydrophobicContact CB-CE1 3.98Å; M57-F134 HydrophobicContact CG-CE1 3.48Å; M57-F134 VanDerWaalsContact CG-CE1 3.48Å; M57-F134 HydrophobicContact CG-CZ 3.62Å; V68-F134 HydrophobicContact CB-CE2 3.81Å; V68-F134 HydrophobicContact CB-CZ 3.79Å; V68-F134 HydrophobicContact CG1-CE2 3.91Å; V68-F134 HydrophobicContact CG1-CZ 3.99Å; V68-F134 HydrophobicContact CG2-CE2 4.38Å; V68-F134 HydrophobicContact CG2-CZ 3.84Å; V122-F134 HydrophobicContact CB-CD2 3.75Å; V122-F134 HydrophobicContact CB-CE2 3.97Å; V122-F134 HydrophobicContact CB-CG 4.34Å; V122-F134 HydrophobicContact CG1-CD1 4.46Å; V122-F134 HydrophobicContact CG1-CD2 3.97Å; V122-F134 HydrophobicContact CG1-CE2 4.3Å; V122-F134 HydrophobicContact CG1-CG 4.06Å; V122-F134 HydrophobicContact CG2-CB 4.43Å; V122-F134 HydrophobicContact CG2-CD2 3.73Å; V122-F134 HydrophobicContact CG2-CE2 4.37Å; V122-F134 HydrophobicContact CG2-CG 4.3Å; L124-F134 HydrophobicContact CD1-CD1 4.38Å; L124-F134 HydrophobicContact CD1-CE1 3.67Å; L124-F134 HydrophobicContact CD1-CZ 4.17Å; F134-V136 HydrophobicContact CD2-CG1 4.02Å; F134-V136 HydrophobicContact CE2-CG1 4.04Å |
| 135 | T | 98.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.9 | 174.9 | -56 | 0 | 0 | 0 | 0 | 108.3 | S52 A53 | S52-T135 WeakPolarHBondContact OG-CG2 3.37Å; A53-T135 WeakPolarHBondContact O-CA 3.48Å |
| 136 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136.7 | 165.4 | -66.3 | 0 | 0 | 0 | 0 | 108.6 | S52 A53 I55 W70 T119 V122 F134 L173 | S52-V136 WeakPolarHBondContact CA-O 3.33Å; A53-V136 PolarHBondContact N-O 3.2Å; A53-V136 PolarHBondContact O-N 3.19Å; A53-V136 VanDerWaalsContact O-N 3.09Å; I55-V136 HydrophobicContact CD1-CG2 3.54Å; W70-V136 PolarHBondContact NE1-O 3.04Å; T119-V136 WeakPolarHBondContact O-CA 3.24Å; V122-V136 HydrophobicContact CB-CG1 4.22Å; V122-V136 HydrophobicContact CG2-CG1 3.82Å; F134-V136 HydrophobicContact CD2-CG1 4.02Å; F134-V136 HydrophobicContact CE2-CG1 4.04Å; V136-L173 HydrophobicContact CG2-CD1 3.44Å; V136-L173 VanDerWaalsContact CG2-CD1 3.44Å |
| 137 | S | 98.3 | Very high | 96.6 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.8 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | A51 T119 E120 | A51-S137 CarbonylContact O-C 3.59Å; A51-S137 WeakPolarHBondContact O-CA 3.36Å; T119-S137 CarbonylContact C-O 3.56Å; T119-S137 WeakPolarHBondContact CB-OG 3.42Å; T119-S137 PolarHBondContact O-N 3.25Å; T119-S137 PolarHBondContact OG1-O 3.05Å; T119-S137 PolarHBondContact OG1-OG 2.82Å; E120-S137 WeakPolarHBondContact CA-O 3.31Å; E120-S137 PolarHBondContact N-O 3.3Å; E120-S137 VanDerWaalsContact N-O 3.17Å |
| 138 | M | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.2 | 169.3 | 65.5 | 173.6 | -72.2 | 0 | 0 | 109.5 | F49 K50 A51 W70 Q72 Y115 E120 T171 | F49-M138 HydrophobicContact CD1-CE 4.3Å; F49-M138 HydrophobicContact CE1-CE 3.95Å; F49-M138 HydrophobicContact CE1-CG 4.48Å; F49-M138 HydrophobicContact CE1-SD 4.19Å; K50-M138 WeakPolarHBondContact CA-O 3.49Å; A51-M138 HydrophobicContact CB-CG 3.93Å; A51-M138 PolarHBondContact N-O 3.49Å; A51-M138 PolarHBondContact O-N 2.87Å; W70-M138 HydrophobicContact CB-CB 4.36Å; W70-M138 HydrophobicContact CB-CG 4.18Å; W70-M138 HydrophobicContact CB-SD 3.53Å; W70-M138 VanDerWaalsContact CB-SD 3.53Å; W70-M138 HydrophobicContact CD2-CG 4.31Å; W70-M138 HydrophobicContact CD2-SD 4.2Å; W70-M138 HydrophobicContact CG-CB 4.19Å; W70-M138 HydrophobicContact CG-CG 3.88Å; W70-M138 HydrophobicContact CG-SD 3.76Å; Q72-M138 HydrophobicContact CB-CE 4.4Å; Q72-M138 VanDerWaalsContact OE1-CE 3.25Å; Y115-M138 HydrophobicContact CD1-CB 4.14Å; Y115-M138 HydrophobicContact CD1-CE 3.57Å; Y115-M138 HydrophobicContact CD1-SD 4.49Å; Y115-M138 HydrophobicContact CD2-CE 3.92Å; Y115-M138 HydrophobicContact CE1-CE 3.82Å; Y115-M138 HydrophobicContact CE2-CE 4.14Å; Y115-M138 HydrophobicContact CG-CE 3.64Å; E120-M138 HydrophobicContact CG-CB 3.89Å; M138-T171 HydrophobicContact CE-CG2 4.34Å; M138-T171 HydrophobicContact SD-CG2 3.39Å; M138-T171 WeakPolarHBondContact SD-CG2 3.43Å |
| 139 | N | 96.8 | Very high | 96.5 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.7 | 167.3 | 65.4 | 86.6 | 0 | 0 | 0 | 109.4 | Y48 F49 K50 Y115 | Y48-N139 HydrophobicContact CD1-CB 4.22Å; F49-N139 CarbonylContact O-C 3.47Å; F49-N139 WeakPolarHBondContact O-CA 3.23Å; K50-N139 HydrophobicContact CG-CB 4.18Å; Y115-N139 VanDerWaalsContact CE1-O 3.31Å; Y115-N139 WeakPolarHBondContact CE1-O 3.36Å; Y115-N139 PolarHBondContact OH-O 2.91Å |
| 140 | D | 97.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 143.3 | 179.5 | -170.4 | 13.8 | 0 | 0 | 0 | 110 | Y48 F49 Q72 Y115 W191 | Y48-D140 CarbonylContact C-O 3.47Å; Y48-D140 WeakPolarHBondContact CA-O 3.39Å; F49-D140 HydrophobicContact CD1-CB 4.23Å; F49-D140 PolarHBondContact N-O 2.91Å; F49-D140 PolarHBondContact O-N 2.83Å; Q72-D140 PolarHBondContact NE2-OD2 3Å; Y115-D140 HydrophobicContact CE2-CB 4.41Å; Y115-D140 VanDerWaalsContact OH-CB 3.24Å; Y115-D140 WeakPolarHBondContact OH-CB 3.08Å; Y115-D140 PolarHBondContact OH-OD1 3.48Å; D140-W191 HydrophobicContact CB-CH2 4.26Å; D140-W191 HydrophobicContact CB-CZ2 4.21Å; D140-W191 WeakPolarHBondContact OD2-CH2 3.35Å; D140-W191 VanDerWaalsContact OD2-CZ2 3.3Å; D140-W191 WeakPolarHBondContact OD2-CZ2 3.06Å |
| 141 | N | 97.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | trans | -155.8 | 156.9 | 173.9 | 81.7 | -64.4 | 0 | 0 | 0 | 110.6 | K45 Y48 | K45-N141 WeakPolarHBondContact CG-ND2 3.41Å; Y48-N141 HydrophobicContact CD1-CB 3.67Å; Y48-N141 HydrophobicContact CE1-CB 3.83Å; Y48-N141 VanDerWaalsContact CE1-CG 3.45Å; Y48-N141 WeakPolarHBondContact CE1-OD1 3.04Å; Y48-N141 HydrophobicContact CG-CB 4.07Å | ||
| 142 | F | 95.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | trans | -91.4 | 129.8 | 172.2 | -51.5 | -28.5 | 0 | 0 | 0 | 110 | K45 T46 R165 Q167 F169 W191 M193 | K45-F142 WeakPolarHBondContact CA-O 3.49Å; T46-F142 HydrophobicContact CG2-CB 3.85Å; T46-F142 HydrophobicContact CG2-CD2 3.9Å; T46-F142 HydrophobicContact CG2-CG 4.26Å; T46-F142 PolarHBondContact N-O 2.81Å; T46-F142 PolarHBondContact OG1-N 3.48Å; F142-R165 VanDerWaalsContact CE1-NH2 3.27Å; F142-R165 VanDerWaalsContact CE2-NE 3.29Å; F142-R165 VanDerWaalsContact CG-NH2 3.27Å; F142-Q167 HydrophobicContact CE2-CB 4.38Å; F142-Q167 VanDerWaalsContact CE2-OE1 3.27Å; F142-Q167 HydrophobicContact CZ-CB 4.14Å; F142-F169 HydrophobicContact CE1-CE2 4.16Å; F142-F169 AromaticContact CE1-CZ 3.81Å; F142-F169 HydrophobicContact CE1-CZ 3.81Å; F142-F169 AromaticContact CZ-CE2 3.58Å; F142-F169 HydrophobicContact CZ-CE2 3.58Å; F142-F169 AromaticContact CZ-CZ 3.59Å; F142-F169 HydrophobicContact CZ-CZ 3.59Å; F142-W191 HydrophobicContact CE1-CH2 4.47Å; F142-M193 HydrophobicContact CD2-CB 4.29Å; F142-M193 HydrophobicContact CD2-CG 3.67Å; F142-M193 HydrophobicContact CE2-CB 3.49Å; F142-M193 VanDerWaalsContact CE2-CB 3.49Å; F142-M193 HydrophobicContact CE2-CG 3.38Å; F142-M193 HydrophobicContact CZ-CB 3.95Å; F142-M193 HydrophobicContact CZ-CG 4.18Å | ||
| 143 | Y | 97.2 | Very high | 95.1 | Very high | 123 Ų | 123 | 44.6 Ų | 44.6 | 48% | 0.482 | 24% | 0.237 | S | C | . | . | trans | -137.2 | 60.5 | 172 | -169.8 | -136.1 | 0 | 0 | 0 | 111.7 | E35 R43 Y44 K45 | E35-Y143 PolarHBondContact OE2-OH 2.99Å; R43-Y143 HydrophobicContact CB-CE2 4.39Å; Y44-Y143 WeakPolarHBondContact O-CA 3.37Å; Y44-Y143 WeakPolarHBondContact O-CD2 3.46Å; K45-Y143 HydrophobicContact CB-CD2 3.73Å; K45-Y143 HydrophobicContact CB-CE2 4.14Å; K45-Y143 HydrophobicContact CG-CD2 4.05Å | ||
| 144 | P | 95.9 | Very high | 94.2 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 16% | 0.156 | 25% | 0.249 | C | C | . | . | trans | -80.5 | 164.1 | -177.7 | 35.4 | -36.8 | 0 | 0 | 0 | 112.3 | Y44 F79 | Y44-P144 HydrophobicContact CD1-CG 4.08Å; Y44-P144 HydrophobicContact CD2-CG 4.43Å; Y44-P144 HydrophobicContact CE1-CG 3.41Å; Y44-P144 VanDerWaalsContact CE1-CG 3.41Å; Y44-P144 HydrophobicContact CE2-CG 3.81Å; Y44-P144 WeakPolarHBondContact O-CD 3.49Å; Y44-P144 WeakPolarHBondContact OH-CG 3.35Å; F79-P144 HydrophobicContact CZ-CB 4.44Å; F79-P144 HydrophobicContact CZ-CG 4.41Å | ||
| 145 | S | 95.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.5 | 164.8 | -59.1 | 0 | 0 | 0 | 0 | 108.9 | R43 | R43-S145 WeakPolarHBondContact CG-OG 3.5Å; R43-S145 PolarHBondContact NE-OG 2.88Å; R43-S145 VanDerWaalsContact NE-OG 3.11Å |
| 146 | V | 96.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.5 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | V41 L42 Y44 F79 N81 L160 I163 | V41-V146 CarbonylContact C-O 3.58Å; V41-V146 WeakPolarHBondContact CA-O 3.39Å; V41-V146 WeakPolarHBondContact CB-O 3.46Å; L42-V146 PolarHBondContact N-O 3.03Å; L42-V146 PolarHBondContact O-N 2.66Å; Y44-V146 HydrophobicContact CE1-CG2 4.27Å; F79-V146 HydrophobicContact CE2-CG2 4.43Å; F79-V146 HydrophobicContact CZ-CG2 4.14Å; N81-V146 HydrophobicContact CB-CG1 4.13Å; N81-V146 WeakPolarHBondContact OD1-CG1 3.27Å; V146-L160 HydrophobicContact CG1-CD1 4.22Å; V146-L160 HydrophobicContact CG1-CD2 3.94Å; V146-I163 HydrophobicContact CB-CD1 3.89Å; V146-I163 HydrophobicContact CG1-CD1 4.03Å; V146-I163 HydrophobicContact CG1-CG1 4.23Å; V146-I163 HydrophobicContact CG2-CD1 3.83Å; V146-I163 HydrophobicContact CG2-CG1 4.5Å |
| 147 | T | 94.8 | Very high | 92.4 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140.2 | -179.5 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | V41 Y83 A149 | V41-T147 HydrophobicContact CG1-CG2 4.21Å; Y83-T147 PolarHBondContact OH-O 2.83Å; Y83-T147 PolarHBondContact OH-OG1 2.63Å; T147-A149 VanDerWaalsContact C-N 3.3Å; T147-A149 WeakPolarHBondContact CB-O 3.25Å; T147-A149 PolarHBondContact OG1-O 3.3Å |
| 148 | W | 95.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -66.5 | -36 | 171.2 | -58.9 | 121.6 | 0 | 0 | 0 | 112 | E36 S38 P39 I40 V41 L42 P158 L159 L160 V199 L205 | E36-W148 HydrophobicContact CG-CH2 3.7Å; E36-W148 HydrophobicContact CG-CZ2 3.74Å; S38-W148 PolarHBondContact O-NE1 2.91Å; P39-W148 VanDerWaalsContact C-CD1 3.48Å; P39-W148 VanDerWaalsContact O-CD1 3.24Å; I40-W148 PolarHBondContact O-N 3.37Å; I40-W148 VanDerWaalsContact O-N 3.1Å; V41-W148 VanDerWaalsContact C-CE2 3.47Å; V41-W148 VanDerWaalsContact C-NE1 3.31Å; V41-W148 PolarHBondContact O-NE1 3.35Å; L42-W148 HydrophobicContact CB-CD2 4.48Å; L42-W148 HydrophobicContact CB-CE3 4.2Å; L42-W148 HydrophobicContact CB-CH2 3.46Å; L42-W148 VanDerWaalsContact CB-CH2 3.46Å; L42-W148 HydrophobicContact CB-CZ2 3.72Å; L42-W148 HydrophobicContact CB-CZ3 3.7Å; L42-W148 HydrophobicContact CD1-CH2 3.56Å; L42-W148 HydrophobicContact CD1-CZ2 4.06Å; L42-W148 HydrophobicContact CD1-CZ3 4.37Å; L42-W148 HydrophobicContact CD2-CH2 3.94Å; L42-W148 HydrophobicContact CD2-CZ3 3.9Å; L42-W148 HydrophobicContact CG-CH2 3.83Å; L42-W148 HydrophobicContact CG-CZ2 4.41Å; L42-W148 HydrophobicContact CG-CZ3 4.2Å; W148-P158 HydrophobicContact CB-CB 3.89Å; W148-L159 PolarHBondContact O-N 2.86Å; W148-L160 HydrophobicContact CE3-CB 4.37Å; W148-L160 HydrophobicContact CE3-CD2 4.03Å; W148-L160 HydrophobicContact CZ3-CD2 4.28Å; W148-L160 WeakPolarHBondContact O-CB 3.16Å; W148-L160 PolarHBondContact O-N 3.49Å; W148-V199 HydrophobicContact CE3-CG1 4.25Å; W148-V199 HydrophobicContact CZ3-CG1 3.72Å; W148-L205 HydrophobicContact CZ2-CD1 4.09Å |
| 149 | A | 94.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 54 Ų | 54 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -89.3 | 160.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y83 T147 S155 L157 | Y83-A149 VanDerWaalsContact CE1-C 3.42Å; Y83-A149 WeakPolarHBondContact CE1-O 3.48Å; T147-A149 VanDerWaalsContact C-N 3.3Å; T147-A149 WeakPolarHBondContact CB-O 3.25Å; T147-A149 PolarHBondContact OG1-O 3.3Å; A149-S155 WeakPolarHBondContact CB-O 3.07Å; A149-L157 WeakPolarHBondContact CA-O 3.36Å; A149-L157 WeakPolarHBondContact CB-O 3.34Å |
| 150 | V | 92.9 | Very high | 92.1 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | trans | -59.1 | 128.9 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 109.2 | Y83 I86 I152 S153 L159 W247 | Y83-V150 HydrophobicContact CD1-CG2 4.01Å; Y83-V150 HydrophobicContact CG-CG2 3.92Å; I86-V150 HydrophobicContact CG2-CG2 4.33Å; V150-I152 HydrophobicContact CG1-CG1 3.68Å; V150-I152 PolarHBondContact O-N 2.69Å; V150-S153 WeakPolarHBondContact O-CB 3.48Å; V150-S153 PolarHBondContact O-N 2.81Å; V150-L159 HydrophobicContact CG2-CD1 4.1Å; V150-W247 HydrophobicContact CB-CH2 4.27Å; V150-W247 HydrophobicContact CG1-CD2 4.26Å; V150-W247 HydrophobicContact CG1-CE3 4.15Å; V150-W247 HydrophobicContact CG1-CH2 3.5Å; V150-W247 HydrophobicContact CG1-CZ2 3.6Å; V150-W247 HydrophobicContact CG1-CZ3 3.79Å; V150-W247 HydrophobicContact CG2-CH2 3.85Å; V150-W247 HydrophobicContact CG2-CZ2 4.48Å; V150-W247 HydrophobicContact CG2-CZ3 4.38Å | ||
| 151 | P | 87.4 | Confident | 92.1 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.6 | -168.2 | 26.4 | -36.7 | 0 | 0 | 0 | 115.4 | L245 W247 V257 | P151-L245 HydrophobicContact CB-CD2 4.35Å; P151-W247 HydrophobicContact CG-CE3 4.03Å; P151-V257 HydrophobicContact CB-CG1 4.34Å |
| 152 | I | 87.7 | Confident | 92.2 | Very high | 85 Ų | 85 | 54 Ų | 54 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 2.7 | 176.1 | 62.3 | 156.3 | 0 | 0 | 0 | 113.3 | V150 W247 L255 V257 | V150-I152 HydrophobicContact CG1-CG1 3.68Å; V150-I152 PolarHBondContact O-N 2.69Å; I152-W247 VanDerWaalsContact CD1-CD1 3.41Å; I152-W247 HydrophobicContact CD1-CG 4.15Å; I152-W247 VanDerWaalsContact CD1-NE1 3.33Å; I152-W247 HydrophobicContact CG1-CD2 4.38Å; I152-W247 HydrophobicContact CG1-CG 4.23Å; I152-W247 HydrophobicContact CG2-CB 4.18Å; I152-W247 HydrophobicContact CG2-CG 4.23Å; I152-L255 HydrophobicContact CD1-CD1 4.33Å; I152-V257 HydrophobicContact CG2-CG1 4.24Å; I152-V257 HydrophobicContact CG2-CG2 3.59Å |
| 153 | S | 83.3 | Confident | 92.3 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | trans | -98.6 | 140.4 | -175 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | V150 S155 | V150-S153 WeakPolarHBondContact O-CB 3.48Å; V150-S153 PolarHBondContact O-N 2.81Å; S153-S155 PolarHBondContact O-N 2.81Å; S153-S155 WeakPolarHBondContact OG-CB 3.5Å; S153-S155 PolarHBondContact OG-N 2.77Å; S153-S155 VanDerWaalsContact OG-N 3.13Å | ||
| 154 | D | 79.9 | Confident | 92.3 | Very high | 173 Ų | 173 | 51.7 Ų | 51.7 | 93% | 0.925 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -76.1 | -3.1 | 169 | -62.5 | -40 | 0 | 0 | 0 | 112.5 | ||
| 155 | S | 84 | Confident | 92.4 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | trans | -85.7 | 135.5 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | A149 S153 L157 | A149-S155 WeakPolarHBondContact CB-O 3.07Å; S153-S155 PolarHBondContact O-N 2.81Å; S153-S155 WeakPolarHBondContact OG-CB 3.5Å; S153-S155 PolarHBondContact OG-N 2.77Å; S153-S155 VanDerWaalsContact OG-N 3.13Å; S155-L157 VanDerWaalsContact C-N 3.26Å; S155-L157 PolarHBondContact O-N 2.71Å; S155-L157 WeakPolarHBondContact OG-CB 3.4Å; S155-L157 PolarHBondContact OG-N 3.49Å | ||
| 156 | N | 82.8 | Confident | 92.5 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | trans | -88.1 | 13.8 | 170.6 | -69.7 | -40.2 | 0 | 0 | 0 | 113.4 | ||||
| 157 | L | 90.4 | Very high | 92.5 | Very high | 100 Ų | 100 | 49.6 Ų | 49.6 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | trans | -65 | 124.7 | 179.3 | -173.4 | 72.7 | 0 | 0 | 0 | 110 | A149 S155 L159 | A149-L157 WeakPolarHBondContact CA-O 3.36Å; A149-L157 WeakPolarHBondContact CB-O 3.34Å; S155-L157 VanDerWaalsContact C-N 3.26Å; S155-L157 PolarHBondContact O-N 2.71Å; S155-L157 WeakPolarHBondContact OG-CB 3.4Å; S155-L157 PolarHBondContact OG-N 3.49Å; L157-L159 HydrophobicContact CB-CG 4.49Å; L157-L159 HydrophobicContact CD2-CD1 4.28Å; L157-L159 HydrophobicContact CD2-CD2 3.9Å; L157-L159 HydrophobicContact CD2-CG 4.14Å; L157-L159 HydrophobicContact CG-CD2 4.33Å; L157-L159 HydrophobicContact CG-CG 4.21Å; L157-L159 PolarHBondContact O-N 2.98Å | ||
| 158 | P | 92.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 48 Ų | 48 | 20% | 0.195 | 26% | 0.258 | C | S | . | . | trans | -68.7 | 120.4 | 176.3 | 29.2 | -34.3 | 0 | 0 | 0 | 109.6 | W148 P201 R208 | W148-P158 HydrophobicContact CB-CB 3.89Å; P158-P201 HydrophobicContact CB-CB 4.12Å; P158-P201 HydrophobicContact CG-CB 4.44Å; P158-P201 VanDerWaalsContact O-CB 3.27Å; P158-P201 WeakPolarHBondContact O-CB 3.46Å; P158-R208 VanDerWaalsContact CB-NH1 3.32Å | ||
| 159 | L | 96.1 | Very high | 92.8 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | trans | -131.3 | -9.5 | -176.6 | -70.2 | 166.8 | 0 | 0 | 0 | 112.4 | Y83 N84 I86 W148 V150 L157 T161 | Y83-L159 CarbonylContact C-O 3.47Å; Y83-L159 WeakPolarHBondContact CA-O 3.28Å; Y83-L159 HydrophobicContact CD1-CB 4.24Å; N84-L159 PolarHBondContact N-O 2.77Å; I86-L159 HydrophobicContact CD1-CD1 3.61Å; I86-L159 HydrophobicContact CD1-CD2 4.01Å; I86-L159 HydrophobicContact CD1-CG 4.26Å; W148-L159 PolarHBondContact O-N 2.86Å; V150-L159 HydrophobicContact CG2-CD1 4.1Å; L157-L159 HydrophobicContact CB-CG 4.49Å; L157-L159 HydrophobicContact CD2-CD1 4.28Å; L157-L159 HydrophobicContact CD2-CD2 3.9Å; L157-L159 HydrophobicContact CD2-CG 4.14Å; L157-L159 HydrophobicContact CG-CD2 4.33Å; L157-L159 HydrophobicContact CG-CG 4.21Å; L157-L159 PolarHBondContact O-N 2.98Å; L159-T161 PolarHBondContact O-N 2.88Å | ||
| 160 | L | 97.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | trans | -58.5 | 132.4 | 174.9 | -177 | 69.3 | 0 | 0 | 0 | 110 | L42 N81 Y83 V146 W148 I163 V199 | L42-L160 HydrophobicContact CD2-CD2 4.39Å; N81-L160 HydrophobicContact CB-CD1 3.83Å; Y83-L160 HydrophobicContact CD1-CB 4.15Å; Y83-L160 HydrophobicContact CD1-CD1 4.44Å; Y83-L160 HydrophobicContact CE1-CB 4.02Å; Y83-L160 HydrophobicContact CE1-CD1 4.03Å; V146-L160 HydrophobicContact CG1-CD1 4.22Å; V146-L160 HydrophobicContact CG1-CD2 3.94Å; W148-L160 HydrophobicContact CE3-CB 4.37Å; W148-L160 HydrophobicContact CE3-CD2 4.03Å; W148-L160 HydrophobicContact CZ3-CD2 4.28Å; W148-L160 WeakPolarHBondContact O-CB 3.16Å; W148-L160 PolarHBondContact O-N 3.49Å; L160-I163 HydrophobicContact CD1-CG1 4.2Å; L160-I163 HydrophobicContact CD2-CD1 4.03Å; L160-I163 HydrophobicContact CD2-CG1 4.04Å; L160-V199 HydrophobicContact CD2-CG2 4.11Å; L160-V199 HydrophobicContact CG-CB 4.47Å; L160-V199 HydrophobicContact CG-CG2 4.19Å; L160-V199 WeakPolarHBondContact O-CB 3Å; L160-V199 WeakPolarHBondContact O-CG1 3.22Å | ||
| 161 | T | 97.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 16% | 0.16 | 25% | 0.253 | C | S | . | . | trans | -125.1 | -25.4 | -177.8 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | T82 N84 L159 V199 | T82-T161 PolarHBondContact O-N 2.88Å; T82-T161 PolarHBondContact O-OG1 2.87Å; N84-T161 HydrophobicContact CB-CG2 4.21Å; N84-T161 VanDerWaalsContact CG-CG2 3.44Å; N84-T161 PolarHBondContact N-OG1 3.49Å; N84-T161 WeakPolarHBondContact OD1-CG2 3.35Å; L159-T161 PolarHBondContact O-N 2.88Å; T161-V199 VanDerWaalsContact CA-O 3.31Å; T161-V199 WeakPolarHBondContact CA-O 3.34Å; T161-V199 PolarHBondContact O-N 3.31Å | ||
| 162 | R | 98.2 | Very high | 93.9 | Very high | 95 Ų | 95 | 45.7 Ų | 45.7 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 140.1 | 179.2 | -167.8 | 171.4 | -174.8 | 179.5 | 2.9 | 111.7 | N81 T82 D196 I197 L198 | N81-R162 CarbonylContact C-O 3.57Å; N81-R162 WeakPolarHBondContact CA-O 3.36Å; T82-R162 PolarHBondContact N-O 3.25Å; T82-R162 PolarHBondContact O-N 2.76Å; R162-D196 IonicContact CZ-OD1 2.63Å; R162-D196 IonicContact CZ-OD2 2.79Å; R162-D196 IonicContact NE-OD1 3.05Å; R162-D196 PolarHBondContact NE-OD1 2.86Å; R162-D196 IonicContact NE-OD2 3.59Å; R162-D196 IonicContact NH2-OD1 3.48Å; R162-D196 PolarHBondContact NH2-OD1 3.42Å; R162-D196 IonicContact NH2-OD2 3.24Å; R162-D196 PolarHBondContact NH2-OD2 2.87Å; R162-I197 CarbonylContact C-O 3.48Å; R162-I197 WeakPolarHBondContact CA-O 3.36Å; R162-I197 WeakPolarHBondContact CG-O 3.21Å; R162-L198 HydrophobicContact CB-CD2 4.36Å; R162-L198 HydrophobicContact CG-CD2 4.04Å |
| 163 | I | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.2 | 163.9 | -58.9 | 170.2 | 0 | 0 | 0 | 107.2 | L42 Y44 F79 Y80 V146 L160 D196 I197 | L42-I163 HydrophobicContact CD2-CD1 3.73Å; L42-I163 HydrophobicContact CG-CD1 4.39Å; Y44-I163 HydrophobicContact CD1-CD1 4.27Å; Y44-I163 HydrophobicContact CE1-CD1 4.15Å; Y44-I163 HydrophobicContact CE1-CG2 4.03Å; F79-I163 HydrophobicContact CD2-CG2 4.49Å; F79-I163 HydrophobicContact CE2-CG2 3.88Å; Y80-I163 WeakPolarHBondContact O-CA 3.46Å; V146-I163 HydrophobicContact CB-CD1 3.89Å; V146-I163 HydrophobicContact CG1-CD1 4.03Å; V146-I163 HydrophobicContact CG1-CG1 4.23Å; V146-I163 HydrophobicContact CG2-CD1 3.83Å; V146-I163 HydrophobicContact CG2-CG1 4.5Å; L160-I163 HydrophobicContact CD1-CG1 4.2Å; L160-I163 HydrophobicContact CD2-CD1 4.03Å; L160-I163 HydrophobicContact CD2-CG1 4.04Å; I163-D196 CarbonylContact O-C 3.49Å; I163-D196 WeakPolarHBondContact O-CA 3.27Å; I163-I197 HydrophobicContact CB-CB 4.25Å; I163-I197 HydrophobicContact CD1-CD1 4.45Å; I163-I197 PolarHBondContact N-O 3.36Å; I163-I197 PolarHBondContact O-N 3.16Å |
| 164 | K | 97.7 | Very high | 95.1 | Very high | 85 Ų | 85 | 39 Ų | 39 | 37% | 0.37 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120 | 172.9 | -171.3 | -179.3 | 179.2 | -166.5 | 0 | 109.2 | F79 Y80 V195 | F79-K164 CarbonylContact C-O 3.55Å; F79-K164 WeakPolarHBondContact CA-O 3.35Å; Y80-K164 PolarHBondContact N-O 2.87Å; Y80-K164 PolarHBondContact O-N 2.93Å; K164-V195 CarbonylContact C-O 3.47Å; K164-V195 WeakPolarHBondContact CA-O 3.28Å |
| 165 | R | 97.3 | Very high | 96 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 11% | 0.106 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.6 | 176.2 | -174.5 | 172.3 | 177.8 | 166.4 | -2.4 | 110.2 | Y44 E78 F79 F142 Q167 R194 V195 | Y44-R165 WeakPolarHBondContact OH-CD 3.5Å; E78-R165 CarbonylContact O-C 3.58Å; E78-R165 VanDerWaalsContact O-CA 3.28Å; E78-R165 WeakPolarHBondContact O-CA 3.37Å; F79-R165 HydrophobicContact CB-CG 4.25Å; F79-R165 HydrophobicContact CD2-CB 4.06Å; F79-R165 HydrophobicContact CD2-CG 4.28Å; F79-R165 HydrophobicContact CG-CB 4.41Å; F79-R165 HydrophobicContact CG-CG 4.15Å; F142-R165 VanDerWaalsContact CE1-NH2 3.27Å; F142-R165 VanDerWaalsContact CE2-NE 3.29Å; F142-R165 VanDerWaalsContact CG-NH2 3.27Å; R165-Q167 HydrophobicContact CG-CG 4.23Å; R165-Q167 VanDerWaalsContact NE-CD 3.35Å; R165-R194 CarbonylContact O-C 3.58Å; R165-R194 WeakPolarHBondContact O-CA 3.38Å; R165-V195 HydrophobicContact CB-CB 4.24Å; R165-V195 PolarHBondContact N-O 3.36Å; R165-V195 PolarHBondContact O-N 3.3Å |
| 166 | D | 97.2 | Very high | 96.6 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 9% | 0.086 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 106.8 | 177.8 | -162.7 | -29.8 | 0 | 0 | 0 | 108.9 | E78 R192 R194 | E78-D166 HydrophobicContact CB-CB 4.1Å; E78-D166 PolarHBondContact N-O 2.94Å; E78-D166 PolarHBondContact O-N 3.23Å; D166-R192 IonicContact OD1-CZ 2.67Å; D166-R192 VanDerWaalsContact OD1-CZ 3.24Å; D166-R192 IonicContact OD1-NE 3.13Å; D166-R192 PolarHBondContact OD1-NE 3.25Å; D166-R192 IonicContact OD1-NH2 2.79Å; D166-R192 PolarHBondContact OD1-NH2 2.87Å; D166-R192 IonicContact OD2-CZ 3.76Å; D166-R192 IonicContact OD2-NE 2.79Å; D166-R192 IonicContact OD2-NH2 3.72Å; D166-R192 PolarHBondContact OD2-NH2 3.3Å; D166-R194 HydrophobicContact CB-CG 4.4Å; D166-R194 WeakPolarHBondContact OD2-CD 3.32Å |
| 167 | Q | 97.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.5 | -175.3 | -72.9 | -177.7 | -35.6 | 0 | 0 | 111.1 | Q76 M77 F142 R165 F169 R192 M193 | Q76-Q167 VanDerWaalsContact O-CA 3.29Å; Q76-Q167 WeakPolarHBondContact O-CA 3.41Å; M77-Q167 HydrophobicContact CB-CG 4.09Å; M77-Q167 VanDerWaalsContact CE-NE2 3.29Å; M77-Q167 HydrophobicContact CG-CG 3.96Å; M77-Q167 VanDerWaalsContact CG-NE2 3.27Å; M77-Q167 PolarHBondContact SD-NE2 3.12Å; F142-Q167 HydrophobicContact CE2-CB 4.38Å; F142-Q167 VanDerWaalsContact CE2-OE1 3.27Å; F142-Q167 HydrophobicContact CZ-CB 4.14Å; R165-Q167 HydrophobicContact CG-CG 4.23Å; R165-Q167 VanDerWaalsContact NE-CD 3.35Å; Q167-F169 HydrophobicContact CB-CE2 3.56Å; Q167-F169 HydrophobicContact CB-CZ 3.84Å; Q167-R192 CarbonylContact O-C 3.48Å; Q167-R192 VanDerWaalsContact O-CA 3.25Å; Q167-R192 WeakPolarHBondContact O-CA 3.25Å; Q167-R192 WeakPolarHBondContact O-CG 3.42Å; Q167-M193 PolarHBondContact N-O 3.46Å; Q167-M193 PolarHBondContact O-N 2.79Å |
| 168 | S | 98.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 20.1 Ų | 20.1 | 13% | 0.133 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.2 | 177 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | T75 Q76 R192 | T75-S168 PolarHBondContact N-O 2.88Å; T75-S168 VanDerWaalsContact OG1-C 3.3Å; T75-S168 PolarHBondContact OG1-O 3.34Å; Q76-S168 PolarHBondContact N-O 3.01Å; Q76-S168 PolarHBondContact O-N 2.72Å; S168-R192 WeakPolarHBondContact OG-CG 3.45Å |
| 169 | F | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150 | -176.7 | -58.4 | -96.2 | 0 | 0 | 0 | 110.5 | Q72 A73 C74 F142 Q167 W191 | Q72-F169 HydrophobicContact CG-CB 4.3Å; Q72-F169 HydrophobicContact CG-CD1 4.08Å; A73-F169 VanDerWaalsContact O-CA 3.32Å; A73-F169 WeakPolarHBondContact O-CA 3.3Å; C74-F169 HydrophobicContact CB-CD1 4.25Å; C74-F169 HydrophobicContact CB-CE1 4.02Å; F142-F169 HydrophobicContact CE1-CE2 4.16Å; F142-F169 AromaticContact CE1-CZ 3.81Å; F142-F169 HydrophobicContact CE1-CZ 3.81Å; F142-F169 AromaticContact CZ-CE2 3.58Å; F142-F169 HydrophobicContact CZ-CE2 3.58Å; F142-F169 AromaticContact CZ-CZ 3.59Å; F142-F169 HydrophobicContact CZ-CZ 3.59Å; Q167-F169 HydrophobicContact CB-CE2 3.56Å; Q167-F169 HydrophobicContact CB-CZ 3.84Å; F169-W191 HydrophobicContact CB-CD2 4.11Å; F169-W191 HydrophobicContact CB-CG 4.31Å; F169-W191 HydrophobicContact CB-CZ2 3.92Å; F169-W191 HydrophobicContact CD1-CZ2 4.13Å; F169-W191 AromaticContact CD2-CD2 3.96Å; F169-W191 HydrophobicContact CD2-CD2 3.96Å; F169-W191 AromaticContact CD2-CE2 3.71Å; F169-W191 HydrophobicContact CD2-CE3 4.01Å; F169-W191 AromaticContact CD2-CH2 3.59Å; F169-W191 HydrophobicContact CD2-CH2 3.59Å; F169-W191 AromaticContact CD2-CZ2 3.53Å; F169-W191 HydrophobicContact CD2-CZ2 3.53Å; F169-W191 AromaticContact CD2-CZ3 3.84Å; F169-W191 HydrophobicContact CD2-CZ3 3.84Å; F169-W191 AromaticContact CE2-CH2 3.77Å; F169-W191 HydrophobicContact CE2-CH2 3.77Å; F169-W191 HydrophobicContact CE2-CZ2 4.1Å; F169-W191 HydrophobicContact CE2-CZ3 4.04Å; F169-W191 HydrophobicContact CG-CD2 4.33Å; F169-W191 AromaticContact CG-CE2 3.7Å; F169-W191 HydrophobicContact CG-CH2 4.1Å; F169-W191 AromaticContact CG-CZ2 3.57Å; F169-W191 HydrophobicContact CG-CZ2 3.57Å; F169-W191 HydrophobicContact CZ-CH2 4.34Å; F169-W191 PolarHBondContact N-O 2.85Å; F169-W191 PolarHBondContact O-N 2.81Å; F169-W191 VanDerWaalsContact O-N 3.15Å |
| 170 | T | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.6 | 162.5 | -55.3 | 0 | 0 | 0 | 0 | 108.6 | Q72 A73 W172 T188 K190 | Q72-T170 WeakPolarHBondContact CA-O 3.38Å; A73-T170 PolarHBondContact N-O 2.91Å; A73-T170 PolarHBondContact O-N 2.95Å; T170-W172 HydrophobicContact CG2-CD2 4.02Å; T170-W172 VanDerWaalsContact CG2-CE2 3.41Å; T170-W172 HydrophobicContact CG2-CE3 4.42Å; T170-W172 HydrophobicContact CG2-CH2 3.76Å; T170-W172 HydrophobicContact CG2-CZ2 3.27Å; T170-W172 HydrophobicContact CG2-CZ3 4.31Å; T170-W172 WeakPolarHBondContact O-CZ3 3.49Å; T170-T188 HydrophobicContact CG2-CG2 3.6Å; T170-K190 HydrophobicContact CG2-CG 4.26Å |
| 171 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.3 | -178.4 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | W70 I71 Q72 M138 T188 V189 W191 | W70-T171 HydrophobicContact CD2-CG2 4.46Å; W70-T171 HydrophobicContact CE3-CG2 3.73Å; W70-T171 HydrophobicContact CZ3-CG2 4.34Å; I71-T171 CarbonylContact O-C 3.46Å; I71-T171 VanDerWaalsContact O-CA 3.26Å; I71-T171 WeakPolarHBondContact O-CA 3.44Å; Q72-T171 PolarHBondContact OE1-OG1 3.42Å; M138-T171 HydrophobicContact CE-CG2 4.34Å; M138-T171 HydrophobicContact SD-CG2 3.39Å; M138-T171 WeakPolarHBondContact SD-CG2 3.43Å; T171-T188 CarbonylContact O-C 3.52Å; T171-T188 WeakPolarHBondContact O-CA 3.46Å; T171-V189 PolarHBondContact N-O 3.22Å; T171-V189 PolarHBondContact O-N 3.16Å; T171-W191 PolarHBondContact OG1-NE1 3Å |
| 172 | W | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.1 | -178.3 | -59.1 | -92.8 | 0 | 0 | 0 | 110.6 | W70 I71 A73 T170 V174 L185 Q187 E227 I229 A233 | W70-W172 WeakPolarHBondContact CA-O 3.46Å; I71-W172 HydrophobicContact CB-CE3 4.43Å; I71-W172 HydrophobicContact CG2-CE3 4.09Å; I71-W172 PolarHBondContact N-O 2.8Å; I71-W172 PolarHBondContact O-N 2.71Å; A73-W172 HydrophobicContact CB-CH2 4.01Å; A73-W172 HydrophobicContact CB-CZ3 3.69Å; T170-W172 HydrophobicContact CG2-CD2 4.02Å; T170-W172 VanDerWaalsContact CG2-CE2 3.41Å; T170-W172 HydrophobicContact CG2-CE3 4.42Å; T170-W172 HydrophobicContact CG2-CH2 3.76Å; T170-W172 HydrophobicContact CG2-CZ2 3.27Å; T170-W172 HydrophobicContact CG2-CZ3 4.31Å; T170-W172 WeakPolarHBondContact O-CZ3 3.49Å; W172-V174 HydrophobicContact CB-CG2 3.84Å; W172-L185 HydrophobicContact CB-CD1 3.81Å; W172-L185 HydrophobicContact CG-CD1 4.06Å; W172-Q187 CarbonylContact C-O 3.58Å; W172-Q187 WeakPolarHBondContact CA-O 3.15Å; W172-E227 PolarHBondContact NE1-O 2.78Å; W172-I229 HydrophobicContact CB-CD1 4.13Å; W172-I229 HydrophobicContact CB-CG1 4.2Å; W172-I229 HydrophobicContact CD2-CB 4.48Å; W172-I229 HydrophobicContact CD2-CG1 3.89Å; W172-I229 HydrophobicContact CD2-CG2 4.29Å; W172-I229 HydrophobicContact CE3-CG2 4.21Å; W172-I229 HydrophobicContact CG-CD1 4.18Å; W172-I229 HydrophobicContact CG-CG1 3.71Å; W172-I229 HydrophobicContact CH2-CG2 4.46Å; W172-I229 HydrophobicContact CZ3-CG2 4.3Å; W172-A233 HydrophobicContact CH2-CB 4.3Å; W172-A233 HydrophobicContact CZ3-CB 4.1Å |
| 173 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126 | 163.6 | -175.9 | 64.5 | 0 | 0 | 0 | 108.3 | V20 A53 I55 V68 W70 V136 L186 Q187 | V20-L173 HydrophobicContact CG1-CD2 3.87Å; V20-L173 HydrophobicContact CG2-CD2 4.19Å; A53-L173 HydrophobicContact CB-CD2 3.68Å; I55-L173 HydrophobicContact CD1-CD2 4.36Å; I55-L173 HydrophobicContact CG1-CD2 4.24Å; V68-L173 HydrophobicContact CG1-CD1 4.46Å; W70-L173 HydrophobicContact CD2-CD1 4.11Å; W70-L173 HydrophobicContact CE3-CB 3.88Å; W70-L173 HydrophobicContact CE3-CD1 4.25Å; W70-L173 HydrophobicContact CH2-CB 3.98Å; W70-L173 HydrophobicContact CH2-CD1 4.32Å; W70-L173 HydrophobicContact CH2-CD2 4.49Å; W70-L173 HydrophobicContact CH2-CG 4.48Å; W70-L173 HydrophobicContact CZ2-CD1 4.13Å; W70-L173 HydrophobicContact CZ3-CB 3.57Å; W70-L173 HydrophobicContact CZ3-CD1 4.38Å; W70-L173 HydrophobicContact CZ3-CG 4.46Å; V136-L173 HydrophobicContact CG2-CD1 3.44Å; V136-L173 VanDerWaalsContact CG2-CD1 3.44Å; L173-L186 HydrophobicContact CB-CB 4.1Å; L173-L186 HydrophobicContact CD2-CB 3.9Å; L173-L186 HydrophobicContact CD2-CD1 4.24Å; L173-L186 HydrophobicContact CG-CB 3.84Å; L173-L186 HydrophobicContact CG-CD1 4.06Å; L173-L186 WeakPolarHBondContact O-CA 3.33Å; L173-L186 WeakPolarHBondContact O-CB 3.37Å; L173-L186 PolarHBondContact O-N 2.87Å; L173-Q187 HydrophobicContact CB-CB 3.9Å; L173-Q187 HydrophobicContact CD2-CB 4.35Å; L173-Q187 PolarHBondContact N-O 3.5Å; L173-Q187 PolarHBondContact O-N 2.86Å |
| 174 | V | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.9 | -171.9 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | V68 G69 I71 W114 W172 K183 I184 L185 I229 | V68-V174 CarbonylContact C-O 3.59Å; V68-V174 VanDerWaalsContact CA-O 3.27Å; V68-V174 WeakPolarHBondContact CA-O 3.15Å; G69-V174 PolarHBondContact N-O 2.84Å; G69-V174 PolarHBondContact O-N 2.79Å; I71-V174 HydrophobicContact CD1-CB 4.1Å; I71-V174 HydrophobicContact CD1-CG1 4.42Å; I71-V174 HydrophobicContact CD1-CG2 3.77Å; I71-V174 HydrophobicContact CG1-CG2 4.26Å; W114-V174 HydrophobicContact CZ3-CB 4.32Å; W172-V174 HydrophobicContact CB-CG2 3.84Å; V174-K183 HydrophobicContact CG1-CB 4.38Å; V174-K183 HydrophobicContact CG1-CG 4.4Å; V174-I184 WeakPolarHBondContact CA-O 3.4Å; V174-L185 HydrophobicContact CG2-CD1 4.22Å; V174-I229 HydrophobicContact CG2-CD1 3.49Å; V174-I229 VanDerWaalsContact CG2-CD1 3.49Å |
| 175 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I18 W66 V67 V68 I184 L186 | I18-A175 HydrophobicContact CD1-CB 3.93Å; W66-A175 HydrophobicContact CE3-CB 3.96Å; W66-A175 HydrophobicContact CZ3-CB 4.19Å; V67-A175 CarbonylContact O-C 3.51Å; V67-A175 WeakPolarHBondContact O-CA 3.45Å; V68-A175 HydrophobicContact CG2-CB 3.85Å; A175-I184 HydrophobicContact CB-CB 4.3Å; A175-I184 PolarHBondContact N-O 2.92Å; A175-I184 PolarHBondContact O-N 2.58Å; A175-L186 HydrophobicContact CB-CD1 4.16Å |
| 176 | L | 97.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.8 | -177.7 | 174.8 | 70.1 | 0 | 0 | 0 | 109.9 | W66 V67 W114 E182 K183 | W66-L176 CarbonylContact C-O 3.55Å; W66-L176 WeakPolarHBondContact CA-O 3.23Å; W66-L176 VanDerWaalsContact CE3-C 3.47Å; V67-L176 PolarHBondContact N-O 2.77Å; V67-L176 PolarHBondContact O-N 3.22Å; W114-L176 HydrophobicContact CH2-CB 3.75Å; W114-L176 HydrophobicContact CH2-CD2 4.36Å; W114-L176 HydrophobicContact CZ2-CB 3.71Å; W114-L176 HydrophobicContact CZ2-CD2 3.65Å; W114-L176 HydrophobicContact CZ2-CG 4.31Å; L176-E182 CarbonylContact C-O 3.6Å; L176-E182 WeakPolarHBondContact CA-O 3.5Å; L176-K183 HydrophobicContact CD1-CD 4.13Å; L176-K183 HydrophobicContact CD1-CG 3.39Å |
| 177 | N | 97.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 125.7 | 167.8 | -172.6 | -64.9 | 0 | 0 | 0 | 109.3 | T65 W66 A179 T180 R181 E182 | T65-N177 WeakPolarHBondContact O-CA 3.41Å; W66-N177 HydrophobicContact CD2-CB 3.96Å; W66-N177 HydrophobicContact CE3-CB 4.05Å; W66-N177 VanDerWaalsContact CE3-N 3.35Å; W66-N177 HydrophobicContact CH2-CB 3.88Å; W66-N177 HydrophobicContact CZ2-CB 3.77Å; W66-N177 HydrophobicContact CZ3-CB 4.01Å; W66-N177 PolarHBondContact NE1-ND2 2.93Å; N177-A179 PolarHBondContact O-N 3.38Å; N177-A179 PolarHBondContact OD1-N 2.95Å; N177-T180 VanDerWaalsContact CB-OG1 3.26Å; N177-T180 WeakPolarHBondContact CB-OG1 3.48Å; N177-T180 PolarHBondContact OD1-N 2.81Å; N177-T180 PolarHBondContact OD1-OG1 2.98Å; N177-R181 WeakPolarHBondContact O-CA 3.48Å; N177-R181 PolarHBondContact O-N 2.84Å; N177-E182 HydrophobicContact CB-CB 4.13Å; N177-E182 PolarHBondContact N-O 2.63Å |
| 178 | T | 94.9 | Very high | 97.2 | Very high | 61 Ų | 61 | 30.1 Ų | 30.1 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -31.2 | -173.5 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | T65 V67 | T65-T178 WeakPolarHBondContact CB-OG1 3.24Å; T65-T178 HydrophobicContact CG2-CG2 4Å; T65-T178 PolarHBondContact O-N 2.88Å; T65-T178 PolarHBondContact O-OG1 3.03Å; V67-T178 HydrophobicContact CG2-CG2 3.65Å |
| 179 | A | 93.9 | Very high | 97.2 | Very high | 80 Ų | 80 | 29.2 Ų | 29.2 | 66% | 0.661 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -49.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N177 | N177-A179 PolarHBondContact O-N 3.38Å; N177-A179 PolarHBondContact OD1-N 2.95Å |
| 180 | T | 94.5 | Very high | 97.2 | Very high | 95 Ų | 95 | 32.2 Ų | 32.2 | 58% | 0.583 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.3 | -175.8 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | N177 E182 | N177-T180 VanDerWaalsContact CB-OG1 3.26Å; N177-T180 WeakPolarHBondContact CB-OG1 3.48Å; N177-T180 PolarHBondContact OD1-N 2.81Å; N177-T180 PolarHBondContact OD1-OG1 2.98Å; T180-E182 PolarHBondContact O-N 2.94Å; T180-E182 VanDerWaalsContact O-N 3.15Å; T180-E182 WeakPolarHBondContact OG1-CB 3.48Å; T180-E182 PolarHBondContact OG1-N 2.79Å |
| 181 | R | 94.2 | Very high | 97.2 | Very high | 132 Ų | 132 | 32.4 Ų | 32.4 | 50% | 0.498 | 17% | 0.169 | S | C | . | . | trans | 59.8 | 16.3 | -172.3 | -52.9 | -63.1 | -66.1 | 177.2 | -2.4 | 113.9 | N177 K183 | N177-R181 WeakPolarHBondContact O-CA 3.48Å; N177-R181 PolarHBondContact O-N 2.84Å; R181-K183 WeakPolarHBondContact O-CE 3.18Å; R181-K183 PolarHBondContact O-N 2.84Å | ||
| 182 | E | 95.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 19% | 0.192 | 19% | 0.185 | C | C | . | . | trans | -61.4 | 130.8 | 172.5 | 174.3 | 166.8 | -156.5 | 0 | 0 | 110.4 | R12 W66 L176 N177 T180 I184 | R12-E182 IonicContact CZ-OE1 3.22Å; R12-E182 IonicContact CZ-OE2 3.24Å; R12-E182 VanDerWaalsContact CZ-OE2 3.24Å; R12-E182 IonicContact NE-OE1 3.09Å; R12-E182 PolarHBondContact NE-OE1 3.43Å; R12-E182 VanDerWaalsContact NE-OE1 3.09Å; R12-E182 IonicContact NE-OE2 2.82Å; R12-E182 PolarHBondContact NE-OE2 3.18Å; R12-E182 IonicContact NH2-OE1 2.7Å; R12-E182 PolarHBondContact NH2-OE1 3.26Å; R12-E182 IonicContact NH2-OE2 2.85Å; R12-E182 PolarHBondContact NH2-OE2 3.39Å; W66-E182 HydrophobicContact CH2-CB 4.34Å; W66-E182 HydrophobicContact CH2-CG 3.97Å; L176-E182 CarbonylContact C-O 3.6Å; L176-E182 WeakPolarHBondContact CA-O 3.5Å; N177-E182 HydrophobicContact CB-CB 4.13Å; N177-E182 PolarHBondContact N-O 2.63Å; T180-E182 PolarHBondContact O-N 2.94Å; T180-E182 VanDerWaalsContact O-N 3.15Å; T180-E182 WeakPolarHBondContact OG1-CB 3.48Å; T180-E182 PolarHBondContact OG1-N 2.79Å; E182-I184 HydrophobicContact CG-CG1 4.48Å | ||
| 183 | K | 95.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 36.7 Ų | 36.7 | 44% | 0.443 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.6 | -179 | -76.7 | 167.4 | -93 | -173.6 | 0 | 109.8 | V174 L176 R181 L234 | V174-K183 HydrophobicContact CG1-CB 4.38Å; V174-K183 HydrophobicContact CG1-CG 4.4Å; L176-K183 HydrophobicContact CD1-CD 4.13Å; L176-K183 HydrophobicContact CD1-CG 3.39Å; R181-K183 WeakPolarHBondContact O-CE 3.18Å; R181-K183 PolarHBondContact O-N 2.84Å; K183-L234 HydrophobicContact CD-CD1 4.27Å; K183-L234 HydrophobicContact CD-CD2 4.24Å |
| 184 | I | 97.4 | Very high | 97 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112 | 173.1 | -58.9 | 175.2 | 0 | 0 | 0 | 107.4 | I13 R15 I18 W66 V174 A175 E182 L186 | I13-I184 HydrophobicContact CG2-CD1 4.05Å; R15-I184 HydrophobicContact CB-CG2 3.74Å; R15-I184 HydrophobicContact CG-CG2 4.22Å; I18-I184 HydrophobicContact CD1-CB 4.5Å; I18-I184 HydrophobicContact CD1-CD1 3.96Å; I18-I184 HydrophobicContact CD1-CG2 4.17Å; W66-I184 HydrophobicContact CH2-CD1 3.6Å; W66-I184 HydrophobicContact CH2-CG1 4.16Å; W66-I184 HydrophobicContact CZ3-CD1 3.75Å; W66-I184 HydrophobicContact CZ3-CG1 4.07Å; V174-I184 WeakPolarHBondContact CA-O 3.4Å; A175-I184 HydrophobicContact CB-CB 4.3Å; A175-I184 PolarHBondContact N-O 2.92Å; A175-I184 PolarHBondContact O-N 2.58Å; E182-I184 HydrophobicContact CG-CG1 4.48Å; I184-L186 HydrophobicContact CG2-CD2 3.89Å |
| 185 | L | 97.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.8 | 176.5 | 178.6 | 58.9 | 0 | 0 | 0 | 110.1 | R15 W172 V174 M226 E227 I229 | R15-L185 VanDerWaalsContact CD-O 3.23Å; R15-L185 WeakPolarHBondContact CD-O 3.22Å; R15-L185 PolarHBondContact NE-O 2.81Å; R15-L185 VanDerWaalsContact NE-O 3.1Å; W172-L185 HydrophobicContact CB-CD1 3.81Å; W172-L185 HydrophobicContact CG-CD1 4.06Å; V174-L185 HydrophobicContact CG2-CD1 4.22Å; L185-M226 HydrophobicContact CD2-CB 3.77Å; L185-M226 HydrophobicContact CD2-CG 4.47Å; L185-M226 HydrophobicContact CD2-SD 4.37Å; L185-M226 HydrophobicContact CG-CB 4.29Å; L185-M226 HydrophobicContact CG-CG 4.48Å; L185-M226 HydrophobicContact CG-SD 3.87Å; L185-E227 VanDerWaalsContact CD2-O 3.23Å; L185-E227 WeakPolarHBondContact CD2-O 3.46Å; L185-I229 HydrophobicContact CD1-CD1 4.49Å; L185-I229 HydrophobicContact CD1-CG1 4.49Å |
| 186 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -41.6 | -172.2 | -63.2 | -177.6 | 0 | 0 | 0 | 112.7 | R15 I18 V20 V68 L173 A175 I184 M226 | R15-L186 PolarHBondContact NH2-O 3.02Å; I18-L186 HydrophobicContact CB-CD2 4Å; I18-L186 HydrophobicContact CD1-CD2 4.05Å; I18-L186 HydrophobicContact CG2-CD1 4.06Å; I18-L186 HydrophobicContact CG2-CD2 3.72Å; V20-L186 HydrophobicContact CG2-CB 3.81Å; V20-L186 HydrophobicContact CG2-CD1 4.31Å; V20-L186 HydrophobicContact CG2-CD2 4.32Å; V20-L186 HydrophobicContact CG2-CG 4.38Å; V68-L186 HydrophobicContact CG1-CD1 3.94Å; L173-L186 HydrophobicContact CB-CB 4.1Å; L173-L186 HydrophobicContact CD2-CB 3.9Å; L173-L186 HydrophobicContact CD2-CD1 4.24Å; L173-L186 HydrophobicContact CG-CB 3.84Å; L173-L186 HydrophobicContact CG-CD1 4.06Å; L173-L186 WeakPolarHBondContact O-CA 3.33Å; L173-L186 WeakPolarHBondContact O-CB 3.37Å; L173-L186 PolarHBondContact O-N 2.87Å; A175-L186 HydrophobicContact CB-CD1 4.16Å; I184-L186 HydrophobicContact CG2-CD2 3.89Å; L186-M226 VanDerWaalsContact C-SD 3.58Å |
| 187 | Q | 98 | Very high | 96.9 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 150.3 | -179.6 | -174.7 | 56.1 | 60.3 | 0 | 0 | 110.8 | V23 W172 L173 V222 L223 | V23-Q187 HydrophobicContact CG1-CG 3.9Å; V23-Q187 HydrophobicContact CG2-CG 4.22Å; W172-Q187 CarbonylContact C-O 3.58Å; W172-Q187 WeakPolarHBondContact CA-O 3.15Å; L173-Q187 HydrophobicContact CB-CB 3.9Å; L173-Q187 HydrophobicContact CD2-CB 4.35Å; L173-Q187 PolarHBondContact N-O 3.5Å; L173-Q187 PolarHBondContact O-N 2.86Å; Q187-V222 HydrophobicContact CG-CG1 4.12Å; Q187-V222 VanDerWaalsContact NE2-CG1 3.3Å; Q187-L223 PolarHBondContact NE2-O 2.89Å |
| 188 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.9 | 170.5 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | T170 T171 L223 E227 | T170-T188 HydrophobicContact CG2-CG2 3.6Å; T171-T188 CarbonylContact O-C 3.52Å; T171-T188 WeakPolarHBondContact O-CA 3.46Å; T188-L223 HydrophobicContact CG2-CD1 3.69Å; T188-L223 HydrophobicContact CG2-CG 4.25Å; T188-L223 PolarHBondContact O-N 2.79Å; T188-E227 HydrophobicContact CG2-CB 4.32Å; T188-E227 PolarHBondContact OG1-N 3.23Å; T188-E227 PolarHBondContact OG1-O 2.96Å |
| 189 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.7 | 175 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | A25 F49 W70 T171 P220 R221 V222 | A25-V189 HydrophobicContact CB-CG1 3.64Å; A25-V189 HydrophobicContact CB-CG2 4.25Å; F49-V189 HydrophobicContact CE2-CG1 4.21Å; F49-V189 HydrophobicContact CZ-CG1 4.14Å; W70-V189 HydrophobicContact CZ3-CG2 4.5Å; T171-V189 PolarHBondContact N-O 3.22Å; T171-V189 PolarHBondContact O-N 3.16Å; V189-P220 HydrophobicContact CG1-CB 3.92Å; V189-R221 WeakPolarHBondContact CA-O 3.47Å; V189-V222 HydrophobicContact CG2-CG2 4.24Å |
| 190 | K | 98.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 30% | 0.3 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.4 | 172.2 | -73.6 | -173.2 | 167.3 | 176 | 0 | 110.5 | T170 P220 R221 L223 E227 | T170-K190 HydrophobicContact CG2-CG 4.26Å; K190-P220 CarbonylContact O-C 3.3Å; K190-P220 WeakPolarHBondContact O-CA 3.12Å; K190-R221 PolarHBondContact N-O 2.89Å; K190-R221 PolarHBondContact O-N 2.96Å; K190-L223 HydrophobicContact CD-CD1 4.23Å; K190-L223 HydrophobicContact CG-CD1 4.28Å; K190-E227 WeakPolarHBondContact CE-OE1 3.5Å; K190-E227 WeakPolarHBondContact CE-OE2 3.32Å; K190-E227 IonicContact NZ-OE1 2.68Å; K190-E227 PolarHBondContact NZ-OE1 2.82Å; K190-E227 IonicContact NZ-OE2 2.66Å; K190-E227 PolarHBondContact NZ-OE2 2.84Å |
| 191 | W | 98.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 160.2 | 177.1 | 66.3 | -82 | 0 | 0 | 0 | 111.1 | I27 F49 D140 F142 F169 T171 M193 P220 | I27-W191 HydrophobicContact CD1-CE3 4.3Å; F49-W191 HydrophobicContact CB-CD2 4.1Å; F49-W191 HydrophobicContact CB-CE3 3.94Å; F49-W191 HydrophobicContact CB-CH2 4.1Å; F49-W191 HydrophobicContact CB-CZ2 4.24Å; F49-W191 HydrophobicContact CB-CZ3 3.93Å; F49-W191 HydrophobicContact CD1-CD2 4.04Å; F49-W191 AromaticContact CD1-CE2 3.53Å; F49-W191 HydrophobicContact CD1-CG 4.38Å; F49-W191 HydrophobicContact CD1-CH2 4.47Å; F49-W191 AromaticContact CD1-CZ2 3.8Å; F49-W191 HydrophobicContact CD1-CZ2 3.8Å; F49-W191 AromaticContact CD1-NE1 3.57Å; F49-W191 HydrophobicContact CD2-CB 4.12Å; F49-W191 AromaticContact CD2-CD2 3.9Å; F49-W191 HydrophobicContact CD2-CD2 3.9Å; F49-W191 HydrophobicContact CD2-CE3 4.39Å; F49-W191 AromaticContact CD2-CG 3.78Å; F49-W191 HydrophobicContact CD2-CG 3.78Å; F49-W191 AromaticContact CE1-CD1 3.75Å; F49-W191 HydrophobicContact CE1-CD2 4.45Å; F49-W191 AromaticContact CE1-CE2 3.87Å; F49-W191 HydrophobicContact CE1-CG 4.38Å; F49-W191 HydrophobicContact CE1-CZ2 4.43Å; F49-W191 AromaticContact CE1-NE1 3.38Å; F49-W191 HydrophobicContact CE2-CB 4.08Å; F49-W191 AromaticContact CE2-CD1 3.68Å; F49-W191 HydrophobicContact CE2-CD2 4.33Å; F49-W191 AromaticContact CE2-CG 3.78Å; F49-W191 HydrophobicContact CE2-CG 3.78Å; F49-W191 AromaticContact CG-CD2 3.73Å; F49-W191 HydrophobicContact CG-CD2 3.73Å; F49-W191 AromaticContact CG-CE2 3.73Å; F49-W191 HydrophobicContact CG-CE3 4.09Å; F49-W191 HydrophobicContact CG-CG 4.08Å; F49-W191 HydrophobicContact CG-CH2 4.46Å; F49-W191 HydrophobicContact CG-CZ2 4.12Å; F49-W191 HydrophobicContact CG-CZ3 4.43Å; F49-W191 AromaticContact CZ-CD1 3.51Å; F49-W191 HydrophobicContact CZ-CG 4.09Å; F49-W191 AromaticContact CZ-NE1 3.67Å; D140-W191 HydrophobicContact CB-CH2 4.26Å; D140-W191 HydrophobicContact CB-CZ2 4.21Å; D140-W191 WeakPolarHBondContact OD2-CH2 3.35Å; D140-W191 VanDerWaalsContact OD2-CZ2 3.3Å; D140-W191 WeakPolarHBondContact OD2-CZ2 3.06Å; F142-W191 HydrophobicContact CE1-CH2 4.47Å; F169-W191 HydrophobicContact CB-CD2 4.11Å; F169-W191 HydrophobicContact CB-CG 4.31Å; F169-W191 HydrophobicContact CB-CZ2 3.92Å; F169-W191 HydrophobicContact CD1-CZ2 4.13Å; F169-W191 AromaticContact CD2-CD2 3.96Å; F169-W191 HydrophobicContact CD2-CD2 3.96Å; F169-W191 AromaticContact CD2-CE2 3.71Å; F169-W191 HydrophobicContact CD2-CE3 4.01Å; F169-W191 AromaticContact CD2-CH2 3.59Å; F169-W191 HydrophobicContact CD2-CH2 3.59Å; F169-W191 AromaticContact CD2-CZ2 3.53Å; F169-W191 HydrophobicContact CD2-CZ2 3.53Å; F169-W191 AromaticContact CD2-CZ3 3.84Å; F169-W191 HydrophobicContact CD2-CZ3 3.84Å; F169-W191 AromaticContact CE2-CH2 3.77Å; F169-W191 HydrophobicContact CE2-CH2 3.77Å; F169-W191 HydrophobicContact CE2-CZ2 4.1Å; F169-W191 HydrophobicContact CE2-CZ3 4.04Å; F169-W191 HydrophobicContact CG-CD2 4.33Å; F169-W191 AromaticContact CG-CE2 3.7Å; F169-W191 HydrophobicContact CG-CH2 4.1Å; F169-W191 AromaticContact CG-CZ2 3.57Å; F169-W191 HydrophobicContact CG-CZ2 3.57Å; F169-W191 HydrophobicContact CZ-CH2 4.34Å; F169-W191 PolarHBondContact N-O 2.85Å; F169-W191 PolarHBondContact O-N 2.81Å; F169-W191 VanDerWaalsContact O-N 3.15Å; T171-W191 PolarHBondContact OG1-NE1 3Å; W191-M193 HydrophobicContact CE3-CE 4.5Å; W191-M193 HydrophobicContact CZ3-CB 4.04Å; W191-M193 HydrophobicContact CZ3-CE 3.94Å; W191-P220 HydrophobicContact CB-CB 3.98Å; W191-P220 HydrophobicContact CB-CG 4.02Å |
| 192 | R | 97.9 | Very high | 97.3 | Very high | 92 Ų | 92 | 38.1 Ų | 38.1 | 35% | 0.347 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.4 | -176 | 179.6 | 179.8 | -179.3 | 173.4 | 5.5 | 109 | D166 Q167 S168 R194 | D166-R192 IonicContact OD1-CZ 2.67Å; D166-R192 VanDerWaalsContact OD1-CZ 3.24Å; D166-R192 IonicContact OD1-NE 3.13Å; D166-R192 PolarHBondContact OD1-NE 3.25Å; D166-R192 IonicContact OD1-NH2 2.79Å; D166-R192 PolarHBondContact OD1-NH2 2.87Å; D166-R192 IonicContact OD2-CZ 3.76Å; D166-R192 IonicContact OD2-NE 2.79Å; D166-R192 IonicContact OD2-NH2 3.72Å; D166-R192 PolarHBondContact OD2-NH2 3.3Å; Q167-R192 CarbonylContact O-C 3.48Å; Q167-R192 VanDerWaalsContact O-CA 3.25Å; Q167-R192 WeakPolarHBondContact O-CA 3.25Å; Q167-R192 WeakPolarHBondContact O-CG 3.42Å; S168-R192 WeakPolarHBondContact OG-CG 3.45Å; R192-R194 HydrophobicContact CG-CG 4.33Å |
| 193 | M | 96.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.9 | -179.6 | -172.7 | 70.9 | 68.4 | 0 | 0 | 109.2 | I27 T46 P47 F142 Q167 W191 Q217 | I27-M193 HydrophobicContact CD1-CE 4.22Å; I27-M193 HydrophobicContact CG2-CE 4.35Å; T46-M193 HydrophobicContact CG2-CG 4.02Å; T46-M193 HydrophobicContact CG2-SD 4.09Å; P47-M193 WeakPolarHBondContact O-CE 3.41Å; F142-M193 HydrophobicContact CD2-CB 4.29Å; F142-M193 HydrophobicContact CD2-CG 3.67Å; F142-M193 HydrophobicContact CE2-CB 3.49Å; F142-M193 VanDerWaalsContact CE2-CB 3.49Å; F142-M193 HydrophobicContact CE2-CG 3.38Å; F142-M193 HydrophobicContact CZ-CB 3.95Å; F142-M193 HydrophobicContact CZ-CG 4.18Å; Q167-M193 PolarHBondContact N-O 3.46Å; Q167-M193 PolarHBondContact O-N 2.79Å; W191-M193 HydrophobicContact CE3-CE 4.5Å; W191-M193 HydrophobicContact CZ3-CB 4.04Å; W191-M193 HydrophobicContact CZ3-CE 3.94Å; M193-Q217 HydrophobicContact CE-CG 4.43Å; M193-Q217 HydrophobicContact SD-CG 3.49Å; M193-Q217 WeakPolarHBondContact SD-CG 3.38Å |
| 194 | R | 96.8 | Very high | 97.4 | Very high | 84 Ų | 84 | 39.2 Ų | 39.2 | 32% | 0.317 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.4 | -178.4 | -68.8 | -174.5 | -73.8 | 176.3 | -3.8 | 111.2 | R165 D166 R192 Q217 D218 | R165-R194 CarbonylContact O-C 3.58Å; R165-R194 WeakPolarHBondContact O-CA 3.38Å; D166-R194 HydrophobicContact CB-CG 4.4Å; D166-R194 WeakPolarHBondContact OD2-CD 3.32Å; R192-R194 HydrophobicContact CG-CG 4.33Å; R194-Q217 PolarHBondContact O-NE2 3.5Å; R194-D218 IonicContact CZ-OD2 3.74Å; R194-D218 IonicContact NH2-OD2 3.63Å; R194-D218 PolarHBondContact NH2-OD2 3.08Å |
| 195 | V | 97.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.2 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | T32 Y44 T46 K164 R165 I197 L211 | T32-V195 HydrophobicContact CG2-CG1 4.41Å; Y44-V195 HydrophobicContact CD2-CG1 4.22Å; Y44-V195 HydrophobicContact CE2-CB 4.39Å; Y44-V195 HydrophobicContact CE2-CG1 4Å; Y44-V195 HydrophobicContact CE2-CG2 4.06Å; T46-V195 HydrophobicContact CG2-CG2 3.59Å; K164-V195 CarbonylContact C-O 3.47Å; K164-V195 WeakPolarHBondContact CA-O 3.28Å; R165-V195 HydrophobicContact CB-CB 4.24Å; R165-V195 PolarHBondContact N-O 3.36Å; R165-V195 PolarHBondContact O-N 3.3Å; V195-I197 HydrophobicContact CG1-CD1 3.67Å; V195-I197 HydrophobicContact CG1-CG1 3.74Å; V195-L211 HydrophobicContact CG1-CD1 4.35Å |
| 196 | D | 97.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 114.3 | 172 | -166.6 | 0.1 | 0 | 0 | 0 | 107.1 | R162 I163 M212 | R162-D196 IonicContact CZ-OD1 2.63Å; R162-D196 IonicContact CZ-OD2 2.79Å; R162-D196 IonicContact NE-OD1 3.05Å; R162-D196 PolarHBondContact NE-OD1 2.86Å; R162-D196 IonicContact NE-OD2 3.59Å; R162-D196 IonicContact NH2-OD1 3.48Å; R162-D196 PolarHBondContact NH2-OD1 3.42Å; R162-D196 IonicContact NH2-OD2 3.24Å; R162-D196 PolarHBondContact NH2-OD2 2.87Å; I163-D196 CarbonylContact O-C 3.49Å; I163-D196 WeakPolarHBondContact O-CA 3.27Å; D196-M212 HydrophobicContact CB-CB 4.24Å; D196-M212 PolarHBondContact O-N 2.92Å |
| 197 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122 | -178.4 | -61.2 | 165.9 | 0 | 0 | 0 | 106.8 | I34 L42 Y44 R162 I163 V195 V199 A209 T210 L211 | I34-I197 HydrophobicContact CD1-CD1 4.41Å; I34-I197 HydrophobicContact CD1-CG1 4.23Å; I34-I197 HydrophobicContact CD1-CG2 3.92Å; I34-I197 HydrophobicContact CG1-CD1 4.28Å; L42-I197 HydrophobicContact CD2-CG2 4.24Å; Y44-I197 HydrophobicContact CD1-CD1 3.75Å; Y44-I197 HydrophobicContact CD2-CD1 4.39Å; Y44-I197 HydrophobicContact CE1-CD1 4.36Å; Y44-I197 HydrophobicContact CG-CD1 3.76Å; R162-I197 CarbonylContact C-O 3.48Å; R162-I197 WeakPolarHBondContact CA-O 3.36Å; R162-I197 WeakPolarHBondContact CG-O 3.21Å; I163-I197 HydrophobicContact CB-CB 4.25Å; I163-I197 HydrophobicContact CD1-CD1 4.45Å; I163-I197 PolarHBondContact N-O 3.36Å; I163-I197 PolarHBondContact O-N 3.16Å; V195-I197 HydrophobicContact CG1-CD1 3.67Å; V195-I197 HydrophobicContact CG1-CG1 3.74Å; I197-V199 HydrophobicContact CG2-CG2 4.14Å; I197-A209 HydrophobicContact CG2-CB 3.92Å; I197-T210 WeakPolarHBondContact CA-O 2.96Å; I197-L211 HydrophobicContact CG1-CD1 4Å |
| 198 | L | 98.1 | Very high | 97.1 | Very high | 72 Ų | 72 | 46.6 Ų | 46.6 | 38% | 0.377 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 144.3 | 167 | -71 | 175.9 | 0 | 0 | 0 | 109.4 | R162 A209 T210 M212 | R162-L198 HydrophobicContact CB-CD2 4.36Å; R162-L198 HydrophobicContact CG-CD2 4.04Å; L198-A209 CarbonylContact O-C 3.07Å; L198-A209 VanDerWaalsContact O-CA 3.3Å; L198-A209 WeakPolarHBondContact O-CA 3.32Å; L198-T210 PolarHBondContact N-O 2.93Å; L198-T210 PolarHBondContact O-N 2.85Å; L198-M212 HydrophobicContact CB-CG 4.09Å; L198-M212 HydrophobicContact CD1-CE 3.87Å; L198-M212 HydrophobicContact CD1-CG 3.59Å; L198-M212 HydrophobicContact CD1-SD 3.8Å; L198-M212 HydrophobicContact CG-CG 3.56Å; L198-M212 HydrophobicContact CG-SD 4.35Å |
| 199 | V | 98.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125.7 | -180 | -178 | 0 | 0 | 0 | 0 | 108.2 | L42 W148 L160 T161 I197 P201 R208 A209 | L42-V199 HydrophobicContact CD2-CG2 3.98Å; W148-V199 HydrophobicContact CE3-CG1 4.25Å; W148-V199 HydrophobicContact CZ3-CG1 3.72Å; L160-V199 HydrophobicContact CD2-CG2 4.11Å; L160-V199 HydrophobicContact CG-CB 4.47Å; L160-V199 HydrophobicContact CG-CG2 4.19Å; L160-V199 WeakPolarHBondContact O-CB 3Å; L160-V199 WeakPolarHBondContact O-CG1 3.22Å; T161-V199 VanDerWaalsContact CA-O 3.31Å; T161-V199 WeakPolarHBondContact CA-O 3.34Å; T161-V199 PolarHBondContact O-N 3.31Å; I197-V199 HydrophobicContact CG2-CG2 4.14Å; V199-P201 WeakPolarHBondContact O-CD 3.31Å; V199-R208 CarbonylContact C-O 3.6Å; V199-R208 WeakPolarHBondContact CA-O 3.36Å; V199-R208 HydrophobicContact CG1-CB 4.02Å; V199-A209 HydrophobicContact CG2-CB 4.21Å |
| 200 | D | 97.4 | Very high | 97 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | trans | -101.1 | 103.1 | 166.7 | -174.6 | -16.4 | 0 | 0 | 0 | 109 | S202 M203 R208 | D200-S202 VanDerWaalsContact CG-OG 3.31Å; D200-S202 PolarHBondContact O-N 2.83Å; D200-S202 VanDerWaalsContact OD1-CB 3.3Å; D200-S202 WeakPolarHBondContact OD1-CB 3.45Å; D200-S202 PolarHBondContact OD1-N 3.42Å; D200-S202 PolarHBondContact OD1-OG 3.22Å; D200-S202 PolarHBondContact OD2-OG 2.82Å; D200-M203 HydrophobicContact CB-CB 4.47Å; D200-M203 HydrophobicContact CB-CG 3.84Å; D200-M203 PolarHBondContact O-N 3.44Å; D200-R208 PolarHBondContact N-O 3.5Å; D200-R208 WeakPolarHBondContact O-CB 3.41Å; D200-R208 VanDerWaalsContact O-CG 3.3Å; D200-R208 WeakPolarHBondContact O-CG 3.33Å | ||
| 201 | P | 95.4 | Very high | 97 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14 | -178 | 27.1 | -33.6 | 0 | 0 | 0 | 113.9 | P158 V199 M203 | P158-P201 HydrophobicContact CB-CB 4.12Å; P158-P201 HydrophobicContact CG-CB 4.44Å; P158-P201 VanDerWaalsContact O-CB 3.27Å; P158-P201 WeakPolarHBondContact O-CB 3.46Å; V199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-M203 VanDerWaalsContact C-N 3.33Å |
| 202 | S | 95.3 | Very high | 96.8 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 70% | 0.699 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -20.2 | 177.4 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | D200 | D200-S202 VanDerWaalsContact CG-OG 3.31Å; D200-S202 PolarHBondContact O-N 2.83Å; D200-S202 VanDerWaalsContact OD1-CB 3.3Å; D200-S202 WeakPolarHBondContact OD1-CB 3.45Å; D200-S202 PolarHBondContact OD1-N 3.42Å; D200-S202 PolarHBondContact OD1-OG 3.22Å; D200-S202 PolarHBondContact OD2-OG 2.82Å |
| 203 | M | 96.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -74.5 | 153.3 | 178.6 | -67.6 | -67.8 | -72.4 | 0 | 0 | 111.6 | D200 P201 R208 | D200-M203 HydrophobicContact CB-CB 4.47Å; D200-M203 HydrophobicContact CB-CG 3.84Å; D200-M203 PolarHBondContact O-N 3.44Å; P201-M203 VanDerWaalsContact C-N 3.33Å; M203-R208 HydrophobicContact CB-CG 4.04Å; M203-R208 VanDerWaalsContact O-CG 3.26Å; M203-R208 WeakPolarHBondContact O-CG 3.2Å; M203-R208 PolarHBondContact O-NE 3.37Å |
| 204 | P | 95.5 | Very high | 95.4 | Very high | 85 Ų | 85 | 60 Ų | 60 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 152.3 | 174.4 | 27.4 | -34.8 | 0 | 0 | 0 | 111.2 | G206 S207 | P204-G206 PolarHBondContact O-N 2.78Å; P204-S207 PolarHBondContact O-N 2.85Å; P204-S207 VanDerWaalsContact O-N 3.08Å |
| 205 | L | 95.7 | Very high | 94.7 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 38% | 0.382 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 134.7 | 173.3 | -173.3 | 73.7 | 0 | 0 | 0 | 110 | E36 S38 W148 | E36-L205 HydrophobicContact CG-CD1 3.83Å; E36-L205 WeakPolarHBondContact OE1-CA 3.18Å; S38-L205 WeakPolarHBondContact O-CD1 3.18Å; W148-L205 HydrophobicContact CZ2-CD1 4.09Å |
| 206 | G | 95.9 | Very high | 94.5 | Very high | 47 Ų | 47 | 63 Ų | 63 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -2.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E36 P204 | E36-G206 PolarHBondContact OE1-N 2.88Å; P204-G206 PolarHBondContact O-N 2.78Å |
| 207 | S | 96.6 | Very high | 94.4 | Very high | 72 Ų | 72 | 62.4 Ų | 62.4 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -147.2 | 14.4 | -177 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | E36 P204 | E36-S207 PolarHBondContact OE1-N 2.85Å; E36-S207 PolarHBondContact OE2-N 2.7Å; P204-S207 PolarHBondContact O-N 2.85Å; P204-S207 VanDerWaalsContact O-N 3.08Å |
| 208 | R | 96.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 65.6 Ų | 65.6 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -80.1 | -39.4 | 178.6 | -61.5 | 173.2 | 171.3 | -178.7 | -1.6 | 112.3 | E36 P158 V199 D200 M203 | E36-R208 VanDerWaalsContact CD-N 3.34Å; E36-R208 WeakPolarHBondContact OE1-CB 3.43Å; E36-R208 WeakPolarHBondContact OE1-CD 3.31Å; E36-R208 WeakPolarHBondContact OE1-CG 3.34Å; E36-R208 PolarHBondContact OE1-N 2.86Å; E36-R208 PolarHBondContact OE2-N 2.85Å; P158-R208 VanDerWaalsContact CB-NH1 3.32Å; V199-R208 CarbonylContact C-O 3.6Å; V199-R208 WeakPolarHBondContact CA-O 3.36Å; V199-R208 HydrophobicContact CG1-CB 4.02Å; D200-R208 PolarHBondContact N-O 3.5Å; D200-R208 WeakPolarHBondContact O-CB 3.41Å; D200-R208 VanDerWaalsContact O-CG 3.3Å; D200-R208 WeakPolarHBondContact O-CG 3.33Å; M203-R208 HydrophobicContact CB-CG 4.04Å; M203-R208 VanDerWaalsContact O-CG 3.26Å; M203-R208 WeakPolarHBondContact O-CG 3.2Å; M203-R208 PolarHBondContact O-NE 3.37Å |
| 209 | A | 97.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 66.5 Ų | 66.5 | 13% | 0.132 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113 | I34 E36 L42 I197 L198 V199 | I34-A209 HydrophobicContact CD1-CB 4.22Å; I34-A209 HydrophobicContact CG2-CB 3.78Å; E36-A209 PolarHBondContact OE2-N 2.99Å; L42-A209 HydrophobicContact CD1-CB 4.13Å; L42-A209 HydrophobicContact CD2-CB 3.81Å; I197-A209 HydrophobicContact CG2-CB 3.92Å; L198-A209 CarbonylContact O-C 3.07Å; L198-A209 VanDerWaalsContact O-CA 3.3Å; L198-A209 WeakPolarHBondContact O-CA 3.32Å; V199-A209 HydrophobicContact CG2-CB 4.21Å |
| 210 | T | 97.2 | Very high | 94.3 | Very high | 83 Ų | 83 | 66.8 Ų | 66.8 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.9 | 177 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | I197 L198 M212 | I197-T210 WeakPolarHBondContact CA-O 2.96Å; L198-T210 PolarHBondContact N-O 2.93Å; L198-T210 PolarHBondContact O-N 2.85Å; T210-M212 HydrophobicContact CG2-SD 4.04Å; T210-M212 PolarHBondContact O-N 3.48Å |
| 211 | L | 96.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 71.9 Ų | 71.9 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125.7 | 173.6 | -175.9 | 70.2 | 0 | 0 | 0 | 109.6 | P31 T32 I34 V195 I197 | P31-L211 HydrophobicContact CB-CD2 4.1Å; T32-L211 HydrophobicContact CG2-CD1 4.31Å; I34-L211 HydrophobicContact CD1-CB 3.97Å; V195-L211 HydrophobicContact CG1-CD1 4.35Å; I197-L211 HydrophobicContact CG1-CD1 4Å |
| 212 | M | 96 | Very high | 94.5 | Very high | 78 Ų | 78 | 73.5 Ų | 73.5 | 38% | 0.384 | 41% | 0.411 | S | S | . | . | trans | -107.6 | 161.4 | 179.4 | -61.4 | -55.7 | -72.1 | 0 | 0 | 112 | D196 L198 T210 | D196-M212 HydrophobicContact CB-CB 4.24Å; D196-M212 PolarHBondContact O-N 2.92Å; L198-M212 HydrophobicContact CB-CG 4.09Å; L198-M212 HydrophobicContact CD1-CE 3.87Å; L198-M212 HydrophobicContact CD1-CG 3.59Å; L198-M212 HydrophobicContact CD1-SD 3.8Å; L198-M212 HydrophobicContact CG-CG 3.56Å; L198-M212 HydrophobicContact CG-SD 4.35Å; T210-M212 HydrophobicContact CG2-SD 4.04Å; T210-M212 PolarHBondContact O-N 3.48Å | ||
| 213 | G | 84.3 | Confident | 94.6 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 71% | 0.711 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 80.9 | -141.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T215 | G213-T215 PolarHBondContact O-N 3.21Š|
| 214 | R | 79.7 | Confident | 94.5 | Very high | 161 Ų | 161 | 73.3 Ų | 73.3 | 61% | 0.608 | 41% | 0.41 | S | S | * | . | trans | -75.1 | 125.7 | -175.3 | -66 | -175.6 | 178.9 | -162.9 | -4.7 | 110.2 | H216 D218 | R214-H216 WeakPolarHBondContact CB-O 3.31Å; R214-H216 PolarHBondContact O-N 2.83Å; R214-D218 IonicContact NH1-OD1 3.47Å; R214-D218 PolarHBondContact NH1-OD1 2.94Å; R214-D218 IonicContact NH1-OD2 2.69Å | ||
| 215 | T | 83.6 | Confident | 94.4 | Very high | 81 Ų | 81 | 79.4 Ų | 79.4 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -63.2 | -29.6 | 174.1 | -41.9 | 0 | 0 | 0 | 0 | 112.2 | P31 G213 | P31-T215 WeakPolarHBondContact CA-O 3.46Å; P31-T215 HydrophobicContact CB-CG2 3.82Å; P31-T215 WeakPolarHBondContact CB-O 3.46Å; P31-T215 HydrophobicContact CG-CG2 4.33Å; G213-T215 PolarHBondContact O-N 3.21Å |
| 216 | H | 91.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 79.6 Ų | 79.6 | 33% | 0.329 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -123 | 146.2 | -178.3 | -57.1 | 107.6 | 0 | 0 | 0 | 111.6 | H29 R214 | H29-H216 AromaticContact CD2-NE2 3.9Å; H29-H216 AromaticContact CE1-CD2 3.6Å; H29-H216 AromaticContact CE1-CE1 3.8Å; H29-H216 AromaticContact CE1-CG 3.5Å; H29-H216 VanDerWaalsContact CE1-CG 3.5Å; H29-H216 AromaticContact CE1-ND1 3.64Å; H29-H216 AromaticContact CE1-NE2 3.81Å; H29-H216 AromaticContact ND1-CD2 3.69Å; H29-H216 AromaticContact ND1-CG 3.84Å; H29-H216 AromaticContact NE2-CD2 3.89Å; H29-H216 AromaticContact NE2-CE1 3.64Å; H29-H216 AromaticContact NE2-ND1 3.94Å; H29-H216 AromaticContact NE2-NE2 3.63Å; R214-H216 WeakPolarHBondContact CB-O 3.31Å; R214-H216 PolarHBondContact O-N 2.83Å |
| 217 | Q | 96.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 80.9 Ų | 80.9 | 10% | 0.098 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 155.1 | 176.5 | -58 | -63.4 | -34.8 | 0 | 0 | 111.4 | I27 M193 R194 | I27-Q217 HydrophobicContact CB-CB 4.44Å; I27-Q217 HydrophobicContact CD1-CB 4.01Å; I27-Q217 HydrophobicContact CG2-CB 3.86Å; I27-Q217 HydrophobicContact CG2-CG 4.1Å; M193-Q217 HydrophobicContact CE-CG 4.43Å; M193-Q217 HydrophobicContact SD-CG 3.49Å; M193-Q217 WeakPolarHBondContact SD-CG 3.38Å; R194-Q217 PolarHBondContact O-NE2 3.5Å |
| 218 | D | 96.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 82.2 Ų | 82.2 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 136.2 | 171.6 | -58.3 | -47.3 | 0 | 0 | 0 | 109.4 | R194 R214 | R194-D218 IonicContact CZ-OD2 3.74Å; R194-D218 IonicContact NH2-OD2 3.63Å; R194-D218 PolarHBondContact NH2-OD2 3.08Å; R214-D218 IonicContact NH1-OD1 3.47Å; R214-D218 PolarHBondContact NH1-OD1 2.94Å; R214-D218 IonicContact NH1-OD2 2.69Å |
| 219 | Q | 98 | Very high | 94.3 | Very high | 91 Ų | 91 | 81.8 Ų | 81.8 | 43% | 0.425 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 146.5 | -179.3 | -69.4 | -61.4 | -50.1 | 0 | 0 | 111.7 | I27 | I27-Q219 PolarHBondContact O-NE2 3.34Å; I27-Q219 PolarHBondContact O-OE1 2.83Å |
| 220 | P | 98.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 81.6 Ų | 81.6 | 10% | 0.104 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 151.7 | 176 | -25.8 | 36.3 | 0 | 0 | 0 | 113 | A25 I27 F49 V189 K190 W191 | A25-P220 HydrophobicContact CB-CB 3.83Å; A25-P220 HydrophobicContact CB-CG 4.35Å; I27-P220 HydrophobicContact CD1-CG 4.31Å; I27-P220 HydrophobicContact CG1-CG 3.9Å; F49-P220 HydrophobicContact CD2-CB 4.39Å; F49-P220 HydrophobicContact CD2-CG 3.56Å; F49-P220 HydrophobicContact CE2-CB 3.87Å; F49-P220 HydrophobicContact CE2-CG 3.52Å; V189-P220 HydrophobicContact CG1-CB 3.92Å; K190-P220 CarbonylContact O-C 3.3Å; K190-P220 WeakPolarHBondContact O-CA 3.12Å; W191-P220 HydrophobicContact CB-CB 3.98Å; W191-P220 HydrophobicContact CB-CG 4.02Å |
| 221 | R | 98.3 | Very high | 94.1 | Very high | 181 Ų | 181 | 82.3 Ų | 82.3 | 68% | 0.683 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 109 | 176.4 | -66.3 | 179.1 | 63.3 | -168.2 | -0.8 | 110.1 | V189 K190 L223 | V189-R221 WeakPolarHBondContact CA-O 3.47Å; K190-R221 PolarHBondContact N-O 2.89Å; K190-R221 PolarHBondContact O-N 2.96Å; R221-L223 HydrophobicContact CB-CD2 4.3Å; R221-L223 PolarHBondContact O-N 2.8Å |
| 222 | V | 98 | Very high | 94 | Very high | 61 Ų | 61 | 83.4 Ų | 83.4 | 37% | 0.37 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 119.8 | 165.9 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | V23 A25 Q187 V189 | V23-V222 HydrophobicContact CG1-CG1 3.97Å; V23-V222 HydrophobicContact CG1-CG2 4.28Å; A25-V222 HydrophobicContact CB-CG2 3.87Å; Q187-V222 HydrophobicContact CG-CG1 4.12Å; Q187-V222 VanDerWaalsContact NE2-CG1 3.3Å; V189-V222 HydrophobicContact CG2-CG2 4.24Å |
| 223 | L | 97.8 | Very high | 94 | Very high | 23 Ų | 23 | 79.7 Ų | 79.7 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | trans | -83.2 | 136.7 | -173.8 | -55.3 | -170.1 | 0 | 0 | 0 | 111.6 | Q187 T188 K190 R221 R225 E227 | Q187-L223 PolarHBondContact NE2-O 2.89Å; T188-L223 HydrophobicContact CG2-CD1 3.69Å; T188-L223 HydrophobicContact CG2-CG 4.25Å; T188-L223 PolarHBondContact O-N 2.79Å; K190-L223 HydrophobicContact CD-CD1 4.23Å; K190-L223 HydrophobicContact CG-CD1 4.28Å; R221-L223 HydrophobicContact CB-CD2 4.3Å; R221-L223 PolarHBondContact O-N 2.8Å; L223-R225 WeakPolarHBondContact CB-O 3.49Å; L223-E227 HydrophobicContact CD1-CG 3.9Å | ||
| 224 | T | 93.8 | Very high | 94.5 | Very high | 154 Ų | 154 | 77.9 Ų | 77.9 | 95% | 0.945 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -75 | -36.3 | 171 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 225 | R | 94.9 | Very high | 95.2 | Very high | 212 Ų | 212 | 71.5 Ų | 71.5 | 80% | 0.8 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -103.5 | 116.4 | 172.4 | -173.8 | 177.2 | -179.9 | 179.9 | 0.4 | 109.3 | L223 | L223-R225 WeakPolarHBondContact CB-O 3.49Š|
| 226 | M | 94.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 77 Ų | 77 | 38% | 0.384 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -65 | 138.7 | 179.2 | -67.6 | -178 | -77.3 | 0 | 0 | 111.2 | L185 L186 | L185-M226 HydrophobicContact CD2-CB 3.77Å; L185-M226 HydrophobicContact CD2-CG 4.47Å; L185-M226 HydrophobicContact CD2-SD 4.37Å; L185-M226 HydrophobicContact CG-CB 4.29Å; L185-M226 HydrophobicContact CG-CG 4.48Å; L185-M226 HydrophobicContact CG-SD 3.87Å; L186-M226 VanDerWaalsContact C-SD 3.58Å |
| 227 | E | 96.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 136.7 | 173.7 | -68.4 | -177.4 | -166.1 | 0 | 0 | 110 | W172 L185 T188 K190 L223 | W172-E227 PolarHBondContact NE1-O 2.78Å; L185-E227 VanDerWaalsContact CD2-O 3.23Å; L185-E227 WeakPolarHBondContact CD2-O 3.46Å; T188-E227 HydrophobicContact CG2-CB 4.32Å; T188-E227 PolarHBondContact OG1-N 3.23Å; T188-E227 PolarHBondContact OG1-O 2.96Å; K190-E227 WeakPolarHBondContact CE-OE1 3.5Å; K190-E227 WeakPolarHBondContact CE-OE2 3.32Å; K190-E227 IonicContact NZ-OE1 2.68Å; K190-E227 PolarHBondContact NZ-OE1 2.82Å; K190-E227 IonicContact NZ-OE2 2.66Å; K190-E227 PolarHBondContact NZ-OE2 2.84Å; L223-E227 HydrophobicContact CD1-CG 3.9Å |
| 228 | P | 95.6 | Very high | 95.7 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 66% | 0.656 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 152.2 | -177.3 | 29.7 | -35.7 | 0 | 0 | 0 | 111.5 | P230 | P228-P230 WeakPolarHBondContact O-CD 3.39Š|
| 229 | I | 97.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 72.7 Ų | 72.7 | 16% | 0.159 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 121.3 | 178.1 | -46.9 | 175.8 | 0 | 0 | 0 | 108.6 | I71 W172 V174 L185 A233 L234 | I71-I229 HydrophobicContact CD1-CD1 4.18Å; W172-I229 HydrophobicContact CB-CD1 4.13Å; W172-I229 HydrophobicContact CB-CG1 4.2Å; W172-I229 HydrophobicContact CD2-CB 4.48Å; W172-I229 HydrophobicContact CD2-CG1 3.89Å; W172-I229 HydrophobicContact CD2-CG2 4.29Å; W172-I229 HydrophobicContact CE3-CG2 4.21Å; W172-I229 HydrophobicContact CG-CD1 4.18Å; W172-I229 HydrophobicContact CG-CG1 3.71Å; W172-I229 HydrophobicContact CH2-CG2 4.46Å; W172-I229 HydrophobicContact CZ3-CG2 4.3Å; V174-I229 HydrophobicContact CG2-CD1 3.49Å; V174-I229 VanDerWaalsContact CG2-CD1 3.49Å; L185-I229 HydrophobicContact CD1-CD1 4.49Å; L185-I229 HydrophobicContact CD1-CG1 4.49Å; I229-A233 HydrophobicContact CG2-CB 3.86Å; I229-L234 HydrophobicContact CD1-CD2 4.43Å; I229-L234 HydrophobicContact CG2-CD1 4.36Å; I229-L234 HydrophobicContact CG2-CD2 3.85Å; I229-L234 HydrophobicContact CG2-CG 3.86Å |
| 230 | P | 95.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 72.9 Ų | 72.9 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 144.1 | 172.5 | -22.4 | 34.4 | 0 | 0 | 0 | 111 | A103 P228 N232 A233 | A103-P230 HydrophobicContact CB-CB 4.39Å; A103-P230 HydrophobicContact CB-CG 4.04Å; P228-P230 WeakPolarHBondContact O-CD 3.39Å; P230-N232 PolarHBondContact O-N 3.13Å; P230-A233 WeakPolarHBondContact O-CB 3.31Å; P230-A233 PolarHBondContact O-N 2.92Å |
| 231 | P | 94.6 | Very high | 95.3 | Very high | 97 Ų | 97 | 74.3 Ų | 74.3 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -52.5 | -40.5 | 177.7 | -29.2 | 36.5 | 0 | 0 | 0 | 113.8 | A233 L234 | P231-A233 PolarHBondContact O-N 2.91Å; P231-L234 WeakPolarHBondContact O-CB 3.4Å; P231-L234 PolarHBondContact O-N 3.26Å |
| 232 | N | 93.8 | Very high | 95.1 | Very high | 71 Ų | 71 | 66.4 Ų | 66.4 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -67.6 | -17.7 | -178.8 | -58.3 | 62.4 | 0 | 0 | 0 | 113.9 | V101 A103 S105 P230 L234 | V101-N232 HydrophobicContact CB-CB 4.41Å; V101-N232 HydrophobicContact CG1-CB 4.5Å; V101-N232 WeakPolarHBondContact CG1-ND2 3.45Å; A103-N232 VanDerWaalsContact O-CB 3.28Å; A103-N232 WeakPolarHBondContact O-CB 3.38Å; S105-N232 PolarHBondContact N-O 3.08Å; P230-N232 PolarHBondContact O-N 3.13Å; N232-L234 VanDerWaalsContact C-N 3.25Å; N232-L234 PolarHBondContact O-N 2.88Å |
| 233 | A | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -76.8 | -13.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A73 S105 W172 I229 P230 P231 | A73-A233 HydrophobicContact CB-CB 3.63Å; S105-A233 WeakPolarHBondContact CB-O 3.3Å; S105-A233 PolarHBondContact OG-O 3.29Å; W172-A233 HydrophobicContact CH2-CB 4.3Å; W172-A233 HydrophobicContact CZ3-CB 4.1Å; I229-A233 HydrophobicContact CG2-CB 3.86Å; P230-A233 WeakPolarHBondContact O-CB 3.31Å; P230-A233 PolarHBondContact O-N 2.92Å; P231-A233 PolarHBondContact O-N 2.91Å |
| 234 | L | 95.4 | Very high | 95 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -100.2 | -5.7 | -170.8 | -65.3 | 166.6 | 0 | 0 | 0 | 114.5 | I71 P113 K183 I229 P231 N232 | I71-L234 HydrophobicContact CD1-CD2 3.85Å; P113-L234 HydrophobicContact CB-CB 4.36Å; P113-L234 HydrophobicContact CB-CD2 3.86Å; P113-L234 HydrophobicContact CG-CD2 4.06Å; K183-L234 HydrophobicContact CD-CD1 4.27Å; K183-L234 HydrophobicContact CD-CD2 4.24Å; I229-L234 HydrophobicContact CD1-CD2 4.43Å; I229-L234 HydrophobicContact CG2-CD1 4.36Å; I229-L234 HydrophobicContact CG2-CD2 3.85Å; I229-L234 HydrophobicContact CG2-CG 3.86Å; P231-L234 WeakPolarHBondContact O-CB 3.4Å; P231-L234 PolarHBondContact O-N 3.26Å; N232-L234 VanDerWaalsContact C-N 3.25Å; N232-L234 PolarHBondContact O-N 2.88Å |
| 235 | G | 93.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 58 Ų | 58 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -140.2 | -176.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112 | S105 Y112 | S105-G235 WeakPolarHBondContact CB-O 3.45Å; Y112-G235 WeakPolarHBondContact CD1-O 3.16Å; Y112-G235 VanDerWaalsContact CE1-O 3.25Å; Y112-G235 WeakPolarHBondContact CE1-O 3.48Å |
| 236 | R | 93.4 | Very high | 95.3 | Very high | 198 Ų | 198 | 49.1 Ų | 49.1 | 75% | 0.747 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -71 | 157.4 | 174.7 | -66.7 | 177.7 | 179.2 | -143.4 | -1.9 | 111.1 | Y112 | Y112-R236 HydrophobicContact CD2-CG 4.07Å; Y112-R236 HydrophobicContact CE1-CG 4.09Å; Y112-R236 HydrophobicContact CE2-CG 3.52Å |
| 237 | P | 94 | Very high | 95.5 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | cis | -75.7 | 161.3 | -12.4 | 31 | -35 | 0 | 0 | 0 | 112.4 | D241 A242 | P237-D241 HydrophobicContact CB-CB 4.18Å; P237-A242 HydrophobicContact CB-CB 4.05Å; P237-A242 HydrophobicContact CG-CB 3.68Å |
| 238 | N | 95.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 167.9 | 165.2 | 69.9 | 13.2 | 0 | 0 | 0 | 109.7 | S105 S107 G109 Y112 N240 D241 A242 | S105-N238 CarbonylContact O-C 3.51Å; S105-N238 VanDerWaalsContact O-C 3.3Å; S105-N238 WeakPolarHBondContact O-CA 3.38Å; S107-N238 WeakPolarHBondContact O-CB 3.37Å; S107-N238 PolarHBondContact O-ND2 2.8Å; G109-N238 VanDerWaalsContact CA-ND2 3.27Å; G109-N238 WeakPolarHBondContact CA-ND2 3.3Å; G109-N238 PolarHBondContact N-ND2 2.91Å; Y112-N238 HydrophobicContact CE1-CB 4.18Å; Y112-N238 VanDerWaalsContact OH-CB 3.32Å; Y112-N238 WeakPolarHBondContact OH-CB 3.08Å; Y112-N238 PolarHBondContact OH-N 3.38Å; N238-N240 PolarHBondContact O-N 3.33Å; N238-N240 PolarHBondContact OD1-N 3.11Å; N238-D241 PolarHBondContact O-N 2.63Å; N238-D241 VanDerWaalsContact O-N 3.16Å; N238-D241 WeakPolarHBondContact OD1-CB 3.27Å; N238-D241 PolarHBondContact OD1-N 3.24Å; N238-D241 PolarHBondContact OD1-OD2 3.1Å; N238-A242 WeakPolarHBondContact O-CB 3.41Å; N238-A242 PolarHBondContact O-N 3.19Å |
| 239 | A | 94.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -36.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L93 I104 S105 A242 Q243 | L93-A239 HydrophobicContact CD2-CB 4.46Å; I104-A239 HydrophobicContact CG2-CB 4.15Å; S105-A239 PolarHBondContact O-N 2.78Å; A239-A242 PolarHBondContact O-N 2.9Å; A239-Q243 VanDerWaalsContact O-CB 3.28Å; A239-Q243 WeakPolarHBondContact O-CB 3.49Å; A239-Q243 WeakPolarHBondContact O-CG 3.45Å; A239-Q243 PolarHBondContact O-N 3.33Å |
| 240 | N | 93.5 | Very high | 95.4 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 50% | 0.503 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.1 | -32.5 | 179.9 | -72.7 | -40.2 | 0 | 0 | 0 | 113.8 | N238 Q243 | N238-N240 PolarHBondContact O-N 3.33Å; N238-N240 PolarHBondContact OD1-N 3.11Å; N240-Q243 WeakPolarHBondContact O-CG 3.26Å |
| 241 | D | 95.1 | Very high | 95.2 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -85.7 | -30 | 177 | -65.4 | -21.4 | 0 | 0 | 0 | 111.3 | P237 N238 P260 K261 | P237-D241 HydrophobicContact CB-CB 4.18Å; N238-D241 PolarHBondContact O-N 2.63Å; N238-D241 VanDerWaalsContact O-N 3.16Å; N238-D241 WeakPolarHBondContact OD1-CB 3.27Å; N238-D241 PolarHBondContact OD1-N 3.24Å; N238-D241 PolarHBondContact OD1-OD2 3.1Å; D241-P260 WeakPolarHBondContact O-CA 3.36Å; D241-P260 VanDerWaalsContact O-CB 3.31Å; D241-P260 WeakPolarHBondContact O-CB 3.33Å; D241-K261 HydrophobicContact CB-CB 4.2Å; D241-K261 PolarHBondContact O-N 3.35Å |
| 242 | A | 95.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 56 Ų | 56 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.7 | -23.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L93 I104 P237 N238 A239 | L93-A242 HydrophobicContact CD2-CB 3.74Å; I104-A242 HydrophobicContact CG2-CB 4.02Å; P237-A242 HydrophobicContact CB-CB 4.05Å; P237-A242 HydrophobicContact CG-CB 3.68Å; N238-A242 WeakPolarHBondContact O-CB 3.41Å; N238-A242 PolarHBondContact O-N 3.19Å; A239-A242 PolarHBondContact O-N 2.9Å |
| 243 | Q | 95.8 | Very high | 95.2 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | trans | -74.8 | 149.1 | -174.1 | 67 | -174.6 | -5.3 | 0 | 0 | 112.4 | W91 E92 L93 A239 N240 | W91-Q243 HydrophobicContact CE3-CB 4.13Å; W91-Q243 HydrophobicContact CE3-CG 3.71Å; W91-Q243 HydrophobicContact CZ3-CG 3.8Å; E92-Q243 CarbonylContact O-C 3.51Å; E92-Q243 WeakPolarHBondContact O-CA 3.2Å; L93-Q243 HydrophobicContact CD2-CB 3.97Å; A239-Q243 VanDerWaalsContact O-CB 3.28Å; A239-Q243 WeakPolarHBondContact O-CB 3.49Å; A239-Q243 WeakPolarHBondContact O-CG 3.45Å; A239-Q243 PolarHBondContact O-N 3.33Å; N240-Q243 WeakPolarHBondContact O-CG 3.26Å | ||
| 244 | V | 97.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144.5 | 175.1 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | W91 E92 P94 M246 I258 P260 | W91-V244 WeakPolarHBondContact CA-O 3.3Å; E92-V244 HydrophobicContact CB-CG2 3.95Å; E92-V244 PolarHBondContact N-O 2.87Å; E92-V244 PolarHBondContact O-N 2.88Å; P94-V244 HydrophobicContact CG-CG1 4.04Å; P94-V244 HydrophobicContact CG-CG2 3.75Å; V244-M246 HydrophobicContact CG2-CG 3.92Å; V244-M246 HydrophobicContact CG2-SD 3.99Å; V244-I258 WeakPolarHBondContact CA-O 3.42Å; V244-P260 HydrophobicContact CG1-CB 4.08Å; V244-P260 VanDerWaalsContact CG1-CD 3.49Å; V244-P260 HydrophobicContact CG1-CG 4Å |
| 245 | L | 97.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 112.8 | 167 | -178.1 | 61.9 | 0 | 0 | 0 | 108.5 | S90 W91 P151 V257 I258 | S90-L245 WeakPolarHBondContact O-CA 3.41Å; W91-L245 HydrophobicContact CD2-CB 4.2Å; W91-L245 HydrophobicContact CD2-CD1 4.08Å; W91-L245 HydrophobicContact CE3-CB 4.01Å; W91-L245 HydrophobicContact CG-CD1 4.23Å; W91-L245 HydrophobicContact CH2-CB 3.9Å; W91-L245 HydrophobicContact CZ2-CB 4.07Å; W91-L245 HydrophobicContact CZ2-CD1 4.37Å; W91-L245 HydrophobicContact CZ2-CD2 4.27Å; W91-L245 HydrophobicContact CZ2-CG 4.47Å; W91-L245 HydrophobicContact CZ3-CB 3.85Å; P151-L245 HydrophobicContact CB-CD2 4.35Å; L245-V257 HydrophobicContact CB-CB 4.29Å; L245-V257 HydrophobicContact CD2-CB 4.01Å; L245-V257 HydrophobicContact CD2-CG1 4.01Å; L245-V257 HydrophobicContact CG-CB 4.01Å; L245-V257 HydrophobicContact CG-CG2 4.44Å; L245-V257 WeakPolarHBondContact O-CA 3.13Å; L245-V257 WeakPolarHBondContact O-CB 3.44Å; L245-V257 PolarHBondContact O-N 3.18Å; L245-I258 HydrophobicContact CB-CB 3.72Å; L245-I258 HydrophobicContact CB-CD1 4.07Å; L245-I258 HydrophobicContact CB-CG1 3.93Å; L245-I258 HydrophobicContact CD2-CD1 3.72Å; L245-I258 HydrophobicContact CD2-CG1 4.04Å; L245-I258 PolarHBondContact N-O 2.74Å; L245-I258 PolarHBondContact O-N 3.22Å |
| 246 | M | 97.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143.7 | 174.1 | -62.7 | -56 | -68.3 | 0 | 0 | 110.7 | S89 S90 E92 V244 P254 L255 V256 | S89-M246 CarbonylContact C-O 3.55Å; S89-M246 WeakPolarHBondContact CA-O 3.43Å; S89-M246 WeakPolarHBondContact CB-O 3.34Å; S90-M246 PolarHBondContact N-O 3.42Å; S90-M246 PolarHBondContact O-N 2.76Å; E92-M246 HydrophobicContact CG-CG 4.44Å; E92-M246 WeakPolarHBondContact OE2-CG 3.34Å; V244-M246 HydrophobicContact CG2-CG 3.92Å; V244-M246 HydrophobicContact CG2-SD 3.99Å; M246-P254 HydrophobicContact CE-CB 4.27Å; M246-L255 CarbonylContact C-O 3.33Å; M246-L255 WeakPolarHBondContact CA-O 3.39Å; M246-V256 HydrophobicContact CE-CG2 3.95Å; M246-V256 HydrophobicContact SD-CB 4.22Å; M246-V256 HydrophobicContact SD-CG1 4.48Å; M246-V256 HydrophobicContact SD-CG2 3.67Å |
| 247 | W | 97.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.9 | 163.6 | 172.4 | -109.3 | 0 | 0 | 0 | 109.3 | Y83 I86 M88 V150 P151 I152 P249 P254 L255 V257 | Y83-W247 HydrophobicContact CD2-CH2 4.21Å; Y83-W247 AromaticContact CD2-CZ3 3.59Å; Y83-W247 HydrophobicContact CD2-CZ3 3.59Å; Y83-W247 HydrophobicContact CE2-CZ3 4.02Å; Y83-W247 HydrophobicContact CG-CZ3 4.31Å; I86-W247 HydrophobicContact CG2-CH2 4.23Å; I86-W247 HydrophobicContact CG2-CZ2 4.05Å; M88-W247 VanDerWaalsContact O-CE3 3.24Å; V150-W247 HydrophobicContact CB-CH2 4.27Å; V150-W247 HydrophobicContact CG1-CD2 4.26Å; V150-W247 HydrophobicContact CG1-CE3 4.15Å; V150-W247 HydrophobicContact CG1-CH2 3.5Å; V150-W247 HydrophobicContact CG1-CZ2 3.6Å; V150-W247 HydrophobicContact CG1-CZ3 3.79Å; V150-W247 HydrophobicContact CG2-CH2 3.85Å; V150-W247 HydrophobicContact CG2-CZ2 4.48Å; V150-W247 HydrophobicContact CG2-CZ3 4.38Å; P151-W247 HydrophobicContact CG-CE3 4.03Å; I152-W247 VanDerWaalsContact CD1-CD1 3.41Å; I152-W247 HydrophobicContact CD1-CG 4.15Å; I152-W247 VanDerWaalsContact CD1-NE1 3.33Å; I152-W247 HydrophobicContact CG1-CD2 4.38Å; I152-W247 HydrophobicContact CG1-CG 4.23Å; I152-W247 HydrophobicContact CG2-CB 4.18Å; I152-W247 HydrophobicContact CG2-CG 4.23Å; W247-P249 HydrophobicContact CZ2-CB 4.33Å; W247-P254 CarbonylContact O-C 3.55Å; W247-P254 VanDerWaalsContact O-CA 3.31Å; W247-P254 WeakPolarHBondContact O-CA 3.46Å; W247-L255 PolarHBondContact N-O 2.84Å; W247-L255 PolarHBondContact O-N 3.13Å; W247-V257 HydrophobicContact CB-CG2 3.49Å; W247-V257 VanDerWaalsContact CB-CG2 3.49Å |
| 248 | R | 96.8 | Very high | 95.6 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 94.9 | 176.6 | -70.1 | -174.1 | 178.9 | 75.7 | -5 | 108.8 | G87 M88 S90 E92 P254 | G87-R248 VanDerWaalsContact CA-O 3.31Å; G87-R248 WeakPolarHBondContact CA-O 3.35Å; M88-R248 HydrophobicContact CG-CB 4.03Å; M88-R248 PolarHBondContact N-O 2.82Å; M88-R248 PolarHBondContact O-N 3.04Å; S90-R248 PolarHBondContact OG-NH1 2.83Å; E92-R248 VanDerWaalsContact CD-NH2 3.29Å; E92-R248 IonicContact OE1-CZ 3.58Å; E92-R248 IonicContact OE1-NH1 3.3Å; E92-R248 PolarHBondContact OE1-NH1 3.24Å; E92-R248 IonicContact OE1-NH2 2.82Å; E92-R248 PolarHBondContact OE1-NH2 3.3Å; E92-R248 IonicContact OE2-CZ 2.67Å; E92-R248 IonicContact OE2-NH1 2.63Å; E92-R248 IonicContact OE2-NH2 2.68Å; E92-R248 PolarHBondContact OE2-NH2 3.02Å; R248-P254 HydrophobicContact CG-CB 4.02Å; R248-P254 HydrophobicContact CG-CG 4.21Å |
| 249 | P | 96.1 | Very high | 95.6 | Very high | 34 Ų | 34 | 63.4 Ų | 63.4 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 157.7 | 176.7 | 30.4 | -33.3 | 0 | 0 | 0 | 110.3 | W247 K251 P253 | W247-P249 HydrophobicContact CZ2-CB 4.33Å; P249-K251 WeakPolarHBondContact CB-O 3.46Å; P249-K251 VanDerWaalsContact CG-O 3.29Å; P249-K251 WeakPolarHBondContact CG-O 3.49Å; P249-K251 PolarHBondContact O-N 3.21Å; P249-P253 WeakPolarHBondContact CD-O 3.48Å; P249-P253 WeakPolarHBondContact CG-O 3.15Å |
| 250 | R | 94.1 | Very high | 95.5 | Very high | 178 Ų | 178 | 66.4 Ų | 66.4 | 67% | 0.672 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -62.8 | -29.9 | 171.6 | -177.9 | 174.3 | 178.9 | -172.9 | 6.4 | 112.4 | D85 I86 | D85-R250 WeakPolarHBondContact O-CB 3.36Å; D85-R250 WeakPolarHBondContact O-CD 3.49Å; I86-R250 WeakPolarHBondContact O-CB 3.29Å; I86-R250 PolarHBondContact O-N 3.46Å |
| 251 | K | 92.6 | Very high | 95.4 | Very high | 186 Ų | 186 | 72.5 Ų | 72.5 | 81% | 0.809 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -128.1 | 132.9 | 177.6 | -65.4 | -177.3 | 179.9 | 179.5 | 0 | 109.7 | P249 | P249-K251 WeakPolarHBondContact CB-O 3.46Å; P249-K251 VanDerWaalsContact CG-O 3.29Å; P249-K251 WeakPolarHBondContact CG-O 3.49Å; P249-K251 PolarHBondContact O-N 3.21Å |
| 252 | G | 93.3 | Very high | 95.4 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 60% | 0.598 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 97.4 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 253 | P | 95.5 | Very high | 95.4 | Very high | 96 Ų | 96 | 76.9 Ų | 76.9 | 62% | 0.623 | 41% | 0.407 | S | S | * | . | trans | -76.1 | 154 | -176.7 | 31.2 | -34.8 | 0 | 0 | 0 | 112.2 | P249 | P249-P253 WeakPolarHBondContact CD-O 3.48Å; P249-P253 WeakPolarHBondContact CG-O 3.15Å | ||
| 254 | P | 95.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 78.9 Ų | 78.9 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | trans | -58.2 | 150.4 | 165 | -23.8 | 35.1 | 0 | 0 | 0 | 112.4 | M246 W247 R248 | M246-P254 HydrophobicContact CE-CB 4.27Å; W247-P254 CarbonylContact O-C 3.55Å; W247-P254 VanDerWaalsContact O-CA 3.31Å; W247-P254 WeakPolarHBondContact O-CA 3.46Å; R248-P254 HydrophobicContact CG-CB 4.02Å; R248-P254 HydrophobicContact CG-CG 4.21Å | ||
| 255 | L | 96.4 | Very high | 95.2 | Very high | 83 Ų | 83 | 83 Ų | 83 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140 | 178.9 | -61.4 | 174.1 | 0 | 0 | 0 | 110.3 | I152 M246 W247 | I152-L255 HydrophobicContact CD1-CD1 4.33Å; M246-L255 CarbonylContact C-O 3.33Å; M246-L255 WeakPolarHBondContact CA-O 3.39Å; W247-L255 PolarHBondContact N-O 2.84Å; W247-L255 PolarHBondContact O-N 3.13Å |
| 256 | V | 96.8 | Very high | 95.1 | Very high | 88 Ų | 88 | 87.4 Ų | 87.4 | 53% | 0.533 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.5 | 167.3 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | M246 P259 | M246-V256 HydrophobicContact CE-CG2 3.95Å; M246-V256 HydrophobicContact SD-CB 4.22Å; M246-V256 HydrophobicContact SD-CG1 4.48Å; M246-V256 HydrophobicContact SD-CG2 3.67Å; V256-P259 HydrophobicContact CG1-CB 4.29Å |
| 257 | V | 95.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 91.6 Ų | 91.6 | 26% | 0.261 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -44.9 | 176.7 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | P151 I152 L245 W247 | P151-V257 HydrophobicContact CB-CG1 4.34Å; I152-V257 HydrophobicContact CG2-CG1 4.24Å; I152-V257 HydrophobicContact CG2-CG2 3.59Å; L245-V257 HydrophobicContact CB-CB 4.29Å; L245-V257 HydrophobicContact CD2-CB 4.01Å; L245-V257 HydrophobicContact CD2-CG1 4.01Å; L245-V257 HydrophobicContact CG-CB 4.01Å; L245-V257 HydrophobicContact CG-CG2 4.44Å; L245-V257 WeakPolarHBondContact O-CA 3.13Å; L245-V257 WeakPolarHBondContact O-CB 3.44Å; L245-V257 PolarHBondContact O-N 3.18Å; W247-V257 HydrophobicContact CB-CG2 3.49Å; W247-V257 VanDerWaalsContact CB-CG2 3.49Å |
| 258 | I | 95.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 97.8 Ų | 97.8 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 115 | 176.7 | -57.3 | 174.7 | 0 | 0 | 0 | 107.2 | W91 V244 L245 | W91-I258 HydrophobicContact CH2-CB 4.34Å; W91-I258 HydrophobicContact CH2-CD1 3.68Å; W91-I258 HydrophobicContact CH2-CG2 4.36Å; W91-I258 HydrophobicContact CZ2-CD1 4.08Å; V244-I258 WeakPolarHBondContact CA-O 3.42Å; L245-I258 HydrophobicContact CB-CB 3.72Å; L245-I258 HydrophobicContact CB-CD1 4.07Å; L245-I258 HydrophobicContact CB-CG1 3.93Å; L245-I258 HydrophobicContact CD2-CD1 3.72Å; L245-I258 HydrophobicContact CD2-CG1 4.04Å; L245-I258 PolarHBondContact N-O 2.74Å; L245-I258 PolarHBondContact O-N 3.22Å |
| 259 | P | 95.5 | Very high | 94.6 | Very high | 81 Ų | 81 | 99.3 Ų | 99.3 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | trans | -72.6 | 165.6 | 175 | 32.5 | -35.1 | 0 | 0 | 0 | 111 | V256 | V256-P259 HydrophobicContact CG1-CB 4.29Š| ||
| 260 | P | 93.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 104.8 Ų | 104.8 | 47% | 0.468 | 56% | 0.563 | S | S | . | * | trans | -67.1 | 160 | 170.5 | 31.7 | -30.2 | 0 | 0 | 0 | 109.7 | D241 V244 | D241-P260 WeakPolarHBondContact O-CA 3.36Å; D241-P260 VanDerWaalsContact O-CB 3.31Å; D241-P260 WeakPolarHBondContact O-CB 3.33Å; V244-P260 HydrophobicContact CG1-CB 4.08Å; V244-P260 VanDerWaalsContact CG1-CD 3.49Å; V244-P260 HydrophobicContact CG1-CG 4Å | ||
| 261 | K | 89.8 | Confident | 94.5 | Very high | 222 Ų | 222 | 98.1 Ų | 98.1 | 97% | 0.965 | 55% | 0.554 | S | S | * | * | trans | -90.2 | 0 | -177.3 | -70.1 | -178 | -175.3 | 168.3 | 0 | 113.5 | D241 | D241-K261 HydrophobicContact CB-CB 4.2Å; D241-K261 PolarHBondContact O-N 3.35Å |
Retrieved 261 of 261 residues in 2269.7 ms
(Link to these results)