| 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 | 25.5 | Very low | 26.2 | Very low | 221 Ų | 221 | 146.2 Ų | 146.2 | 100% | 1.089 | 70% | 0.697 | S | S | * | * | 0 | 108.3 | 0 | -175.6 | 168.7 | 172.6 | 0 | 0 | 107.4 | H3 | M1-H3 WeakPolarHBondContact CE-NE2 3.08Š| |||
| 2 | L | 23.6 | Very low | 26.4 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | trans | -118.2 | 123.6 | 177.8 | -174.3 | 77.1 | 0 | 0 | 0 | 108.2 | F90 | L2-F90 HydrophobicContact CB-CD1 4.41Å; L2-F90 HydrophobicContact CB-CE1 3.74Å; L2-F90 HydrophobicContact CD2-CD1 3.46Å; L2-F90 VanDerWaalsContact CD2-CD1 3.46Å; L2-F90 HydrophobicContact CD2-CE1 3.55Å; L2-F90 HydrophobicContact CG-CE1 4.26Å | ||
| 3 | H | 23.9 | Very low | 26.4 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | trans | -81.5 | 117.5 | 176.2 | -80.1 | -142.7 | 0 | 0 | 0 | 109.4 | M1 Y5 | M1-H3 WeakPolarHBondContact CE-NE2 3.08Å; H3-Y5 HydrophobicContact CB-CD2 4.25Å; H3-Y5 HydrophobicContact CB-CE2 4.1Å | ||
| 4 | I | 27.2 | Very low | 26.7 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 42% | 0.421 | 70% | 0.695 | S | S | . | * | trans | -93.8 | 104.7 | 168.7 | -59 | 177.3 | 0 | 0 | 0 | 107.7 | I6 | I4-I6 HydrophobicContact CG2-CG1 4.34Å; I4-I6 PolarHBondContact O-N 3.1Å | ||
| 5 | Y | 24.7 | Very low | 26.9 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | trans | -78.4 | 101.5 | 167.5 | -81.8 | -98.3 | 0 | 0 | 0 | 108.9 | H3 G7 | H3-Y5 HydrophobicContact CB-CD2 4.25Å; H3-Y5 HydrophobicContact CB-CE2 4.1Å; Y5-G7 PolarHBondContact O-N 3.2Å | ||
| 6 | I | 30.5 | Very low | 27.2 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | trans | -76 | 72.3 | 155.7 | -58.3 | 175.4 | 0 | 0 | 0 | 106.3 | I4 K8 | I4-I6 HydrophobicContact CG2-CG1 4.34Å; I4-I6 PolarHBondContact O-N 3.1Å; I6-K8 VanDerWaalsContact C-N 3.25Å; I6-K8 PolarHBondContact O-N 3.12Å | ||
| 7 | G | 22.9 | Very low | 27.6 | Very low | 63 Ų | 63 | 124.8 Ų | 124.8 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | trans | -80.8 | 62.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y5 | Y5-G7 PolarHBondContact O-N 3.2Š| ||
| 8 | K | 26.8 | Very low | 28.2 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -175.3 | 116 | 142.1 | -111 | 177.4 | 179.7 | 176.5 | 0 | 108.5 | I6 L10 | I6-K8 VanDerWaalsContact C-N 3.25Å; I6-K8 PolarHBondContact O-N 3.12Å; K8-L10 PolarHBondContact O-N 3.22Å | ||
| 9 | R | 27.8 | Very low | 28.9 | Very low | 225 Ų | 225 | 123.1 Ų | 123.1 | 85% | 0.849 | 65% | 0.65 | S | S | * | * | trans | -58.3 | 94.2 | 152.7 | -135.2 | -177.8 | -175.3 | -168.7 | -0.2 | 105.3 | K11 | R9-K11 PolarHBondContact O-N 2.79Š| ||
| 10 | L | 27.7 | Very low | 29.6 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 44% | 0.44 | 63% | 0.628 | S | S | . | * | trans | -67.6 | 93.1 | 166 | -73.9 | 179.3 | 0 | 0 | 0 | 105.7 | K8 G12 S15 F17 | K8-L10 PolarHBondContact O-N 3.22Å; L10-G12 PolarHBondContact O-N 3.27Å; L10-S15 WeakPolarHBondContact CB-OG 3.33Å; L10-S15 VanDerWaalsContact CD1-CB 3.5Å; L10-S15 VanDerWaalsContact CD1-OG 3.24Å; L10-S15 WeakPolarHBondContact CD1-OG 3.42Å; L10-F17 HydrophobicContact CD1-CE1 3.89Å; L10-F17 HydrophobicContact CD1-CE2 3.95Å; L10-F17 HydrophobicContact CD1-CZ 3.23Å; L10-F17 HydrophobicContact CG-CZ 4.49Å | ||
| 11 | K | 27.8 | Very low | 30.7 | Very low | 196 Ų | 196 | 113.1 Ų | 113.1 | 85% | 0.852 | 60% | 0.599 | S | S | * | * | trans | -64.9 | 91.3 | 165.5 | -75.5 | -176.1 | 175 | -178.2 | 0 | 106.4 | R9 | R9-K11 PolarHBondContact O-N 2.79Š| ||
| 12 | G | 28.2 | Very low | 31.9 | Very low | 41 Ų | 41 | 103.1 Ų | 103.1 | 42% | 0.423 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -174.3 | 141 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L10 A14 | L10-G12 PolarHBondContact O-N 3.27Å; G12-A14 PolarHBondContact O-N 2.82Å; G12-A14 VanDerWaalsContact O-N 3.15Å |
| 13 | P | 27.4 | Very low | 33.4 | Very low | 135 Ų | 135 | 97.9 Ų | 97.9 | 88% | 0.877 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 120.3 | 175.8 | 25.7 | -31.8 | 0 | 0 | 0 | 108.5 | S15 | P13-S15 PolarHBondContact O-N 3.04Š|
| 14 | A | 30.7 | Very low | 34.7 | Very low | 93 Ų | 93 | 95.5 Ų | 95.5 | 77% | 0.769 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.9 | 76.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G12 T16 | G12-A14 PolarHBondContact O-N 2.82Å; G12-A14 VanDerWaalsContact O-N 3.15Å; A14-T16 PolarHBondContact O-N 2.89Å |
| 15 | S | 28.9 | Very low | 35.7 | Very low | 50 Ų | 50 | 92.6 Ų | 92.6 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | trans | -66.1 | 100.4 | 168.8 | 21.8 | 0 | 0 | 0 | 0 | 109.3 | L10 P13 F17 | L10-S15 WeakPolarHBondContact CB-OG 3.33Å; L10-S15 VanDerWaalsContact CD1-CB 3.5Å; L10-S15 VanDerWaalsContact CD1-OG 3.24Å; L10-S15 WeakPolarHBondContact CD1-OG 3.42Å; P13-S15 PolarHBondContact O-N 3.04Å; S15-F17 WeakPolarHBondContact O-CD2 3.4Å; S15-F17 PolarHBondContact O-N 3.28Å | ||
| 16 | T | 31.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 89.1 Ų | 89.1 | 71% | 0.712 | 48% | 0.483 | S | S | * | . | trans | -67.9 | 117.1 | 168.3 | 30.7 | 0 | 0 | 0 | 0 | 108.7 | A14 | A14-T16 PolarHBondContact O-N 2.89Š| ||
| 17 | F | 34.5 | Very low | 37.2 | Very low | 79 Ų | 79 | 86 Ų | 86 | 35% | 0.346 | 47% | 0.47 | S | S | . | . | trans | -89.3 | 142.5 | 168.2 | -65.6 | -87.8 | 0 | 0 | 0 | 108.9 | L10 S15 F19 S76 F79 | L10-F17 HydrophobicContact CD1-CE1 3.89Å; L10-F17 HydrophobicContact CD1-CE2 3.95Å; L10-F17 HydrophobicContact CD1-CZ 3.23Å; L10-F17 HydrophobicContact CG-CZ 4.49Å; S15-F17 WeakPolarHBondContact O-CD2 3.4Å; S15-F17 PolarHBondContact O-N 3.28Å; F17-F19 HydrophobicContact CB-CD2 4.11Å; F17-F19 HydrophobicContact CD1-CD2 4.13Å; F17-F19 HydrophobicContact CD1-CE2 4.13Å; F17-S76 PolarHBondContact N-OG 3.15Å; F17-S76 WeakPolarHBondContact O-CB 3.39Å; F17-S76 PolarHBondContact O-OG 3.44Å; F17-F79 HydrophobicContact CD2-CD2 4.17Å; F17-F79 HydrophobicContact CD2-CE2 4.05Å; F17-F79 HydrophobicContact CE2-CD2 4.38Å; F17-F79 HydrophobicContact CE2-CE2 4.31Å | ||
| 18 | C | 37.8 | Very low | 38.3 | Very low | 109 Ų | 109 | 84.9 Ų | 84.9 | 74% | 0.736 | 45% | 0.452 | S | S | * | . | trans | -114.3 | 39.1 | 176.6 | -70.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 19 | F | 40.8 | Very low | 39 | Very low | 108 Ų | 108 | 81.2 Ų | 81.2 | 47% | 0.474 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -113.1 | 144.5 | -177.8 | -53.8 | -68.8 | 0 | 0 | 0 | 110.7 | F17 L21 Y95 | F17-F19 HydrophobicContact CB-CD2 4.11Å; F17-F19 HydrophobicContact CD1-CD2 4.13Å; F17-F19 HydrophobicContact CD1-CE2 4.13Å; F19-L21 PolarHBondContact O-N 3.19Å; F19-Y95 HydrophobicContact CD1-CD2 4.36Å; F19-Y95 HydrophobicContact CD1-CE2 4.2Å; F19-Y95 HydrophobicContact CE1-CE2 4.11Å |
| 20 | P | 44.6 | Very low | 39.8 | Very low | 31 Ų | 31 | 73.8 Ų | 73.8 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | trans | -64.4 | 133.4 | 172.9 | 25.6 | -31.1 | 0 | 0 | 0 | 110.4 | V72 F73 I96 | P20-V72 HydrophobicContact CB-CG1 4.19Å; P20-F73 WeakPolarHBondContact CA-O 3.36Å; P20-F73 VanDerWaalsContact CB-O 3.24Å; P20-F73 WeakPolarHBondContact CB-O 3.45Å; P20-I96 HydrophobicContact CB-CD1 4.14Å; P20-I96 HydrophobicContact CG-CB 3.73Å; P20-I96 HydrophobicContact CG-CD1 3.83Å; P20-I96 HydrophobicContact CG-CG1 3.89Å | ||
| 21 | L | 51.9 | Low | 40.4 | Very low | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.4 | 175 | 175.8 | 68.4 | 0 | 0 | 0 | 108.5 | F19 L23 F52 V72 F73 P77 V91 L93 | F19-L21 PolarHBondContact O-N 3.19Å; L21-L23 HydrophobicContact CD1-CD2 4.48Å; L21-L23 HydrophobicContact CD2-CD1 4.45Å; L21-L23 HydrophobicContact CD2-CD2 3.93Å; L21-L23 HydrophobicContact CD2-CG 4.07Å; L21-L23 HydrophobicContact CG-CD2 4.22Å; L21-L23 HydrophobicContact CG-CG 4.23Å; L21-F52 HydrophobicContact CD2-CE1 4Å; L21-F52 HydrophobicContact CD2-CZ 4.44Å; L21-V72 WeakPolarHBondContact O-CA 3Å; L21-F73 HydrophobicContact CB-CB 4.4Å; L21-F73 HydrophobicContact CB-CD2 4.43Å; L21-F73 HydrophobicContact CD2-CD2 4.48Å; L21-F73 PolarHBondContact N-O 3.11Å; L21-F73 PolarHBondContact O-N 2.76Å; L21-P77 HydrophobicContact CD2-CG 3.91Å; L21-V91 HydrophobicContact CD1-CG1 4.4Å; L21-L93 HydrophobicContact CD1-CD2 3.49Å; L21-L93 VanDerWaalsContact CD1-CD2 3.49Å |
| 22 | V | 51.4 | Low | 41 | Very low | 10 Ų | 10 | 66.7 Ų | 66.7 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.2 | 168 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | F24 A70 L71 V72 A94 | V22-F24 HydrophobicContact CB-CE2 4.31Å; V22-F24 HydrophobicContact CG1-CD2 4.18Å; V22-F24 HydrophobicContact CG1-CE1 4.46Å; V22-F24 HydrophobicContact CG1-CE2 3.6Å; V22-F24 HydrophobicContact CG1-CZ 3.77Å; V22-A70 HydrophobicContact CG1-CB 4Å; V22-L71 VanDerWaalsContact CA-O 3.29Å; V22-L71 WeakPolarHBondContact CA-O 3.37Å; V22-V72 HydrophobicContact CG2-CG2 4.31Å; V22-A94 HydrophobicContact CB-CB 4.13Å; V22-A94 HydrophobicContact CG2-CB 3.83Å |
| 23 | L | 54.4 | Low | 41.3 | Very low | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.7 | 172 | -64.7 | 169.1 | 0 | 0 | 0 | 109.3 | L21 F52 A70 L71 F73 V91 | L21-L23 HydrophobicContact CD1-CD2 4.48Å; L21-L23 HydrophobicContact CD2-CD1 4.45Å; L21-L23 HydrophobicContact CD2-CD2 3.93Å; L21-L23 HydrophobicContact CD2-CG 4.07Å; L21-L23 HydrophobicContact CG-CD2 4.22Å; L21-L23 HydrophobicContact CG-CG 4.23Å; L23-F52 HydrophobicContact CD1-CE1 4.21Å; L23-F52 HydrophobicContact CD1-CE2 3.61Å; L23-F52 HydrophobicContact CD1-CZ 3.28Å; L23-F52 HydrophobicContact CG-CZ 4.45Å; L23-A70 WeakPolarHBondContact O-CA 3.36Å; L23-L71 HydrophobicContact CB-CB 4.41Å; L23-L71 PolarHBondContact N-O 3.07Å; L23-L71 VanDerWaalsContact N-O 3.13Å; L23-L71 PolarHBondContact O-N 2.85Å; L23-L71 VanDerWaalsContact O-N 3.15Å; L23-F73 HydrophobicContact CD1-CD2 4.43Å; L23-F73 HydrophobicContact CD1-CE2 3.6Å; L23-F73 HydrophobicContact CD1-CZ 4.33Å; L23-F73 HydrophobicContact CG-CE2 4.26Å; L23-V91 HydrophobicContact CD2-CG1 4.24Å; L23-V91 HydrophobicContact CD2-CG2 4.09Å |
| 24 | F | 51 | Low | 41.7 | Very low | 77 Ų | 77 | 73.7 Ų | 73.7 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.8 | 167.1 | -63.7 | -88.4 | 0 | 0 | 0 | 108.3 | V22 A70 F90 | V22-F24 HydrophobicContact CB-CE2 4.31Å; V22-F24 HydrophobicContact CG1-CD2 4.18Å; V22-F24 HydrophobicContact CG1-CE1 4.46Å; V22-F24 HydrophobicContact CG1-CE2 3.6Å; V22-F24 HydrophobicContact CG1-CZ 3.77Å; F24-A70 HydrophobicContact CE1-CB 4.27Å; F24-F90 VanDerWaalsContact O-O 3.12Å |
| 25 | T | 48.6 | Very low | 42 | Very low | 21 Ų | 21 | 75 Ų | 75 | 13% | 0.129 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.8 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | T27 C28 T46 G69 | T25-T27 VanDerWaalsContact C-N 3.32Å; T25-T27 WeakPolarHBondContact CG2-O 3.47Å; T25-T27 PolarHBondContact OG1-N 3.3Å; T25-T27 PolarHBondContact OG1-O 3.04Å; T25-C28 HydrophobicContact CG2-CB 3.5Å; T25-C28 VanDerWaalsContact CG2-CB 3.5Å; T25-T46 HydrophobicContact CG2-CG2 3.81Å; T25-G69 PolarHBondContact O-N 3.4Å |
| 26 | R | 43.4 | Very low | 42.5 | Very low | 120 Ų | 120 | 79 Ų | 79 | 45% | 0.453 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -70.2 | -30.8 | 177.3 | -78.3 | -175.2 | 175.3 | 178.7 | -0.5 | 113.3 | H67 Y68 | R26-H67 VanDerWaalsContact CA-O 3.22Å; R26-H67 WeakPolarHBondContact CA-O 3.46Å; R26-Y68 HydrophobicContact CG-CE1 4.4Å |
| 27 | T | 42.9 | Very low | 42.8 | Very low | 66 Ų | 66 | 82.1 Ų | 82.1 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -141 | 126.4 | 179.5 | 46.1 | 0 | 0 | 0 | 0 | 107.5 | T25 T46 D47 | T25-T27 VanDerWaalsContact C-N 3.32Å; T25-T27 WeakPolarHBondContact CG2-O 3.47Å; T25-T27 PolarHBondContact OG1-N 3.3Å; T25-T27 PolarHBondContact OG1-O 3.04Å; T27-T46 WeakPolarHBondContact O-CB 3.44Å; T27-D47 VanDerWaalsContact OG1-CG 3.31Å; T27-D47 PolarHBondContact OG1-OD1 2.83Å; T27-D47 PolarHBondContact OG1-OD2 3.13Å |
| 28 | C | 45.5 | Very low | 43 | Very low | 40 Ų | 40 | 80.5 Ų | 80.5 | 27% | 0.27 | 41% | 0.413 | S | S | . | . | trans | -133 | 114.4 | 176.7 | -166.8 | 0 | 0 | 0 | 0 | 108.8 | T25 V44 L71 | T25-C28 HydrophobicContact CG2-CB 3.5Å; T25-C28 VanDerWaalsContact CG2-CB 3.5Å; C28-V44 WeakPolarHBondContact SG-CG1 3.43Å; C28-L71 WeakPolarHBondContact SG-CD1 3.47Å | ||
| 29 | T | 42.9 | Very low | 43 | Very low | 89 Ų | 89 | 82.4 Ų | 82.4 | 55% | 0.546 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.5 | 162.4 | -53.1 | 0 | 0 | 0 | 0 | 107.4 | Q45 | T29-Q45 PolarHBondContact N-O 2.76Å; T29-Q45 CarbonylContact O-C 3.53Å; T29-Q45 WeakPolarHBondContact O-CA 3.43Å; T29-Q45 WeakPolarHBondContact O-CB 3.45Å; T29-Q45 PolarHBondContact O-N 2.59Å; T29-Q45 VanDerWaalsContact O-O 3.08Å |
| 30 | I | 44.5 | Very low | 42.8 | Very low | 70 Ų | 70 | 81 Ų | 81 | 36% | 0.359 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118 | 172.4 | -52.2 | 174.9 | 0 | 0 | 0 | 106.9 | P56 L71 | I30-P56 HydrophobicContact CD1-CG 4.14Å; I30-L71 HydrophobicContact CD1-CD2 3.59Å; I30-L71 HydrophobicContact CG1-CD2 4.35Å |
| 31 | S | 39.5 | Very low | 42.5 | Very low | 41 Ų | 41 | 80 Ų | 80 | 29% | 0.287 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.4 | 173.2 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | Q33 F43 | S31-Q33 PolarHBondContact O-N 2.75Å; S31-Q33 VanDerWaalsContact O-N 3.12Å; S31-F43 PolarHBondContact N-O 3.11Å; S31-F43 CarbonylContact O-C 3.59Å; S31-F43 WeakPolarHBondContact O-CA 3.1Å; S31-F43 WeakPolarHBondContact O-CB 3.31Å; S31-F43 PolarHBondContact O-N 2.87Å |
| 32 | S | 39.7 | Very low | 41.8 | Very low | 90 Ų | 90 | 84 Ų | 84 | 63% | 0.629 | 43% | 0.431 | S | S | * | . | trans | -80.1 | 87.8 | 167 | 63.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 33 | Q | 34.3 | Very low | 41.4 | Very low | 98 Ų | 98 | 84.6 Ų | 84.6 | 46% | 0.458 | 43% | 0.432 | S | S | . | . | trans | -89 | 119.8 | 165.2 | -76.6 | -172.3 | -5.7 | 0 | 0 | 109.6 | S31 R35 F43 | S31-Q33 PolarHBondContact O-N 2.75Å; S31-Q33 VanDerWaalsContact O-N 3.12Å; Q33-R35 PolarHBondContact O-N 3.26Å; Q33-F43 HydrophobicContact CB-CD2 3.65Å; Q33-F43 HydrophobicContact CB-CE2 3.97Å; Q33-F43 HydrophobicContact CB-CG 4.35Å; Q33-F43 WeakPolarHBondContact O-CD2 3.24Å; Q33-F43 WeakPolarHBondContact O-CE2 3.22Å | ||
| 34 | R | 36.2 | Very low | 40.9 | Very low | 225 Ų | 225 | 84.2 Ų | 84.2 | 85% | 0.849 | 43% | 0.43 | S | S | * | . | trans | -77.4 | 99.9 | 165 | -123.8 | -179.2 | 179.6 | -175.7 | -0.5 | 107 | ||||
| 35 | R | 36.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 86.3 Ų | 86.3 | 46% | 0.457 | 44% | 0.441 | S | S | . | . | trans | -82.9 | 127.8 | 166.8 | -76.2 | -162 | -179 | -162.4 | 0.1 | 108.9 | Q33 E37 I38 F43 | Q33-R35 PolarHBondContact O-N 3.26Å; R35-E37 PolarHBondContact O-N 3.24Å; R35-E37 VanDerWaalsContact O-N 3.1Å; R35-I38 PolarHBondContact O-N 2.83Å; R35-F43 HydrophobicContact CB-CZ 4.35Å; R35-F43 HydrophobicContact CG-CE2 4.11Å; R35-F43 HydrophobicContact CG-CZ 3.76Å | ||
| 36 | P | 39.1 | Very low | 40.3 | Very low | 134 Ų | 134 | 86.1 Ų | 86.1 | 87% | 0.87 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.9 | -177.4 | 21.1 | -29.9 | 0 | 0 | 0 | 113.9 | ||
| 37 | E | 38.9 | Very low | 40.2 | Very low | 181 Ų | 181 | 86.5 Ų | 86.5 | 85% | 0.846 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -11 | -178.1 | -61.4 | 173.6 | -171.4 | 0 | 0 | 114 | R35 | R35-E37 PolarHBondContact O-N 3.24Å; R35-E37 VanDerWaalsContact O-N 3.1Å |
| 38 | I | 38.4 | Very low | 40 | Very low | 44 Ų | 44 | 83.4 Ų | 83.4 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -129.3 | 107.2 | -176.2 | -60 | 176.5 | 0 | 0 | 0 | 106.4 | R35 S40 W53 | R35-I38 PolarHBondContact O-N 2.83Å; I38-S40 PolarHBondContact O-N 3.3Å; I38-W53 HydrophobicContact CG2-CD2 4.48Å; I38-W53 HydrophobicContact CG2-CE3 3.87Å; I38-W53 HydrophobicContact CG2-CH2 3.79Å; I38-W53 HydrophobicContact CG2-CZ2 4.38Å; I38-W53 HydrophobicContact CG2-CZ3 3.5Å; I38-W53 VanDerWaalsContact CG2-CZ3 3.5Å |
| 39 | N | 39 | Very low | 40 | Very low | 149 Ų | 149 | 84.3 Ų | 84.3 | 80% | 0.797 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.3 | 102.5 | 170.7 | -84.8 | -25.5 | 0 | 0 | 0 | 110.2 | G41 | N39-G41 PolarHBondContact O-N 3.18Š|
| 40 | S | 34.8 | Very low | 40.3 | Very low | 80 Ų | 80 | 81.2 Ų | 81.2 | 56% | 0.559 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 31.2 | 72.8 | 170.5 | 57.5 | 0 | 0 | 0 | 0 | 115.5 | I38 | I38-S40 PolarHBondContact O-N 3.3Š|
| 41 | G | 38.6 | Very low | 40.4 | Very low | 10 Ų | 10 | 82.6 Ų | 82.6 | 10% | 0.103 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -91 | 157.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N39 F52 | N39-G41 PolarHBondContact O-N 3.18Å; G41-F52 WeakPolarHBondContact CA-O 3.29Å |
| 42 | Y | 38.5 | Very low | 41.1 | Very low | 90 Ų | 90 | 81.2 Ų | 81.2 | 35% | 0.353 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.1 | 167.8 | -75.7 | -101.6 | 0 | 0 | 0 | 108.7 | F52 P55 | Y42-F52 PolarHBondContact N-O 3.28Å; Y42-F52 PolarHBondContact O-N 3.28Å; Y42-P55 HydrophobicContact CD1-CB 3.75Å; Y42-P55 HydrophobicContact CD2-CB 3.55Å; Y42-P55 HydrophobicContact CD2-CG 3.78Å; Y42-P55 HydrophobicContact CE1-CB 3.63Å; Y42-P55 HydrophobicContact CE1-CG 4.27Å; Y42-P55 HydrophobicContact CE2-CB 3.45Å; Y42-P55 VanDerWaalsContact CE2-CB 3.45Å; Y42-P55 HydrophobicContact CE2-CG 3.32Å; Y42-P55 HydrophobicContact CG-CB 3.69Å; Y42-P55 HydrophobicContact CG-CG 4.42Å; Y42-P55 VanDerWaalsContact CZ-CB 3.46Å |
| 43 | F | 41.9 | Very low | 41.5 | Very low | 21 Ų | 21 | 83.9 Ų | 83.9 | 9% | 0.092 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.5 | 178.6 | -67.8 | -96.5 | 0 | 0 | 0 | 108.4 | S31 Q33 R35 H51 | S31-F43 PolarHBondContact N-O 3.11Å; S31-F43 CarbonylContact O-C 3.59Å; S31-F43 WeakPolarHBondContact O-CA 3.1Å; S31-F43 WeakPolarHBondContact O-CB 3.31Å; S31-F43 PolarHBondContact O-N 2.87Å; Q33-F43 HydrophobicContact CB-CD2 3.65Å; Q33-F43 HydrophobicContact CB-CE2 3.97Å; Q33-F43 HydrophobicContact CB-CG 4.35Å; Q33-F43 WeakPolarHBondContact O-CD2 3.24Å; Q33-F43 WeakPolarHBondContact O-CE2 3.22Å; R35-F43 HydrophobicContact CB-CZ 4.35Å; R35-F43 HydrophobicContact CG-CE2 4.11Å; R35-F43 HydrophobicContact CG-CZ 3.76Å; F43-H51 AromaticContact CD1-CD2 3.6Å; F43-H51 AromaticContact CD1-NE2 3.94Å; F43-H51 AromaticContact CE1-CD2 3.58Å; F43-H51 AromaticContact CE1-NE2 3.69Å |
| 44 | V | 43.7 | Very low | 42.2 | Very low | 1 Ų | 1 | 85.9 Ų | 85.9 | 1% | 0.006 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 101.2 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 106.2 | C28 T46 F50 F52 L71 F73 | C28-V44 WeakPolarHBondContact SG-CG1 3.43Å; V44-T46 HydrophobicContact CG1-CG2 3.73Å; V44-T46 PolarHBondContact O-N 3.42Å; V44-F50 PolarHBondContact N-O 2.85Å; V44-F50 PolarHBondContact O-N 2.97Å; V44-F52 HydrophobicContact CB-CD2 4.04Å; V44-F52 HydrophobicContact CB-CE2 4.06Å; V44-F52 HydrophobicContact CG2-CD2 3.66Å; V44-F52 HydrophobicContact CG2-CE2 4.03Å; V44-L71 HydrophobicContact CB-CD1 4.34Å; V44-L71 HydrophobicContact CG1-CD1 3.45Å; V44-L71 VanDerWaalsContact CG1-CD1 3.45Å; V44-L71 HydrophobicContact CG2-CD1 3.91Å; V44-F73 HydrophobicContact CG2-CZ 4.04Å |
| 45 | Q | 41.3 | Very low | 42.7 | Very low | 121 Ų | 121 | 77.4 Ų | 77.4 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 95.5 | 172.7 | -173 | 173.2 | -15.1 | 0 | 0 | 107.5 | T29 | T29-Q45 PolarHBondContact N-O 2.76Å; T29-Q45 CarbonylContact O-C 3.53Å; T29-Q45 WeakPolarHBondContact O-CA 3.43Å; T29-Q45 WeakPolarHBondContact O-CB 3.45Å; T29-Q45 PolarHBondContact O-N 2.59Å; T29-Q45 VanDerWaalsContact O-O 3.08Å |
| 46 | T | 46.2 | Very low | 43.7 | Very low | 18 Ų | 18 | 72.7 Ų | 72.7 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -96.9 | -178.4 | 159.8 | 75.3 | 0 | 0 | 0 | 0 | 108 | T25 T27 V44 S48 F50 | T25-T46 HydrophobicContact CG2-CG2 3.81Å; T27-T46 WeakPolarHBondContact O-CB 3.44Å; V44-T46 HydrophobicContact CG1-CG2 3.73Å; V44-T46 PolarHBondContact O-N 3.42Å; T46-S48 CarbonylContact C-O 3.53Å; T46-S48 PolarHBondContact N-O 3.28Å; T46-S48 CarbonylContact O-C 3.29Å; T46-S48 VanDerWaalsContact O-C 3.29Å; T46-S48 PolarHBondContact O-N 2.81Å; T46-S48 PolarHBondContact OG1-N 3.03Å; T46-S48 VanDerWaalsContact OG1-N 3.11Å; T46-S48 PolarHBondContact OG1-O 2.96Å; T46-F50 HydrophobicContact CG2-CD2 4.42Å |
| 47 | D | 40.8 | Very low | 44.6 | Very low | 127 Ų | 127 | 71.8 Ų | 71.8 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -53.5 | -12.9 | 167.4 | -61.9 | -16.3 | 0 | 0 | 0 | 112.6 | T27 | T27-D47 VanDerWaalsContact OG1-CG 3.31Å; T27-D47 PolarHBondContact OG1-OD1 2.83Å; T27-D47 PolarHBondContact OG1-OD2 3.13Å |
| 48 | S | 39.1 | Very low | 45 | Very low | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -117.1 | 133 | 158.2 | -66 | 0 | 0 | 0 | 0 | 111.5 | T46 F50 S86 | T46-S48 CarbonylContact C-O 3.53Å; T46-S48 PolarHBondContact N-O 3.28Å; T46-S48 CarbonylContact O-C 3.29Å; T46-S48 VanDerWaalsContact O-C 3.29Å; T46-S48 PolarHBondContact O-N 2.81Å; T46-S48 PolarHBondContact OG1-N 3.03Å; T46-S48 VanDerWaalsContact OG1-N 3.11Å; T46-S48 PolarHBondContact OG1-O 2.96Å; S48-F50 WeakPolarHBondContact O-CD2 3.35Å; S48-F50 PolarHBondContact O-N 3.44Å; S48-S86 VanDerWaalsContact OG-CB 3.24Å; S48-S86 WeakPolarHBondContact OG-CB 3.24Å; S48-S86 PolarHBondContact OG-OG 2.75Å |
| 49 | A | 45.4 | Very low | 45.6 | Very low | 59 Ų | 59 | 68 Ų | 68 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 116 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 50 | F | 49.9 | Very low | 46.1 | Very low | 24 Ų | 24 | 62.3 Ų | 62.3 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.9 | 170.5 | -66.3 | -78.8 | 0 | 0 | 0 | 110.3 | V44 T46 S48 F52 | V44-F50 PolarHBondContact N-O 2.85Å; V44-F50 PolarHBondContact O-N 2.97Å; T46-F50 HydrophobicContact CG2-CD2 4.42Å; S48-F50 WeakPolarHBondContact O-CD2 3.35Å; S48-F50 PolarHBondContact O-N 3.44Å; F50-F52 HydrophobicContact CB-CD2 4.1Å; F50-F52 HydrophobicContact CB-CE2 3.31Å; F50-F52 HydrophobicContact CB-CZ 3.79Å; F50-F52 HydrophobicContact CG-CE2 4.19Å; F50-F52 HydrophobicContact CG-CZ 4.32Å |
| 51 | H | 47.1 | Very low | 46.7 | Very low | 99 Ų | 99 | 66.4 Ų | 66.4 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.1 | 177.4 | -62.3 | 172.2 | 0 | 0 | 0 | 109.7 | F43 | F43-H51 AromaticContact CD1-CD2 3.6Å; F43-H51 AromaticContact CD1-NE2 3.94Å; F43-H51 AromaticContact CE1-CD2 3.58Å; F43-H51 AromaticContact CE1-NE2 3.69Å |
| 52 | F | 52.7 | Low | 46.9 | Very low | 11 Ų | 11 | 72.5 Ų | 72.5 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.6 | 174.1 | -64.2 | -79.5 | 0 | 0 | 0 | 110.3 | L21 L23 G41 Y42 V44 F50 R54 F73 P77 | L21-F52 HydrophobicContact CD2-CE1 4Å; L21-F52 HydrophobicContact CD2-CZ 4.44Å; L23-F52 HydrophobicContact CD1-CE1 4.21Å; L23-F52 HydrophobicContact CD1-CE2 3.61Å; L23-F52 HydrophobicContact CD1-CZ 3.28Å; L23-F52 HydrophobicContact CG-CZ 4.45Å; G41-F52 WeakPolarHBondContact CA-O 3.29Å; Y42-F52 PolarHBondContact N-O 3.28Å; Y42-F52 PolarHBondContact O-N 3.28Å; V44-F52 HydrophobicContact CB-CD2 4.04Å; V44-F52 HydrophobicContact CB-CE2 4.06Å; V44-F52 HydrophobicContact CG2-CD2 3.66Å; V44-F52 HydrophobicContact CG2-CE2 4.03Å; F50-F52 HydrophobicContact CB-CD2 4.1Å; F50-F52 HydrophobicContact CB-CE2 3.31Å; F50-F52 HydrophobicContact CB-CZ 3.79Å; F50-F52 HydrophobicContact CG-CE2 4.19Å; F50-F52 HydrophobicContact CG-CZ 4.32Å; F52-R54 PolarHBondContact O-N 2.94Å; F52-F73 HydrophobicContact CB-CD1 4.2Å; F52-F73 HydrophobicContact CB-CE1 3.64Å; F52-F73 HydrophobicContact CB-CZ 4.3Å; F52-F73 AromaticContact CD1-CD1 3.92Å; F52-F73 HydrophobicContact CD1-CD1 3.92Å; F52-F73 HydrophobicContact CD1-CD2 4.39Å; F52-F73 AromaticContact CD1-CE1 3.73Å; F52-F73 HydrophobicContact CD1-CE1 3.73Å; F52-F73 HydrophobicContact CD1-CE2 4.23Å; F52-F73 HydrophobicContact CD1-CG 4.24Å; F52-F73 AromaticContact CD1-CZ 3.9Å; F52-F73 HydrophobicContact CD1-CZ 3.9Å; F52-F73 AromaticContact CD2-CE1 3.78Å; F52-F73 HydrophobicContact CD2-CE1 3.78Å; F52-F73 HydrophobicContact CD2-CE2 4.32Å; F52-F73 AromaticContact CD2-CZ 3.53Å; F52-F73 HydrophobicContact CD2-CZ 3.53Å; F52-F73 HydrophobicContact CE1-CD2 4.3Å; F52-F73 HydrophobicContact CE1-CE1 4.4Å; F52-F73 HydrophobicContact CE1-CE2 4.09Å; F52-F73 HydrophobicContact CE1-CZ 4.14Å; F52-F73 HydrophobicContact CE2-CE1 4.4Å; F52-F73 HydrophobicContact CE2-CE2 4.13Å; F52-F73 AromaticContact CE2-CZ 3.75Å; F52-F73 HydrophobicContact CE2-CZ 3.75Å; F52-F73 HydrophobicContact CG-CD1 4.03Å; F52-F73 AromaticContact CG-CE1 3.41Å; F52-F73 HydrophobicContact CG-CE1 3.41Å; F52-F73 VanDerWaalsContact CG-CE1 3.41Å; F52-F73 HydrophobicContact CG-CE2 4.38Å; F52-F73 AromaticContact CG-CZ 3.62Å; F52-F73 HydrophobicContact CG-CZ 3.62Å; F52-F73 HydrophobicContact CZ-CE2 4.08Å; F52-F73 HydrophobicContact CZ-CZ 4.11Å; F52-P77 HydrophobicContact CE1-CB 4.32Å |
| 53 | W | 48.4 | Very low | 47.1 | Very low | 146 Ų | 146 | 69.8 Ų | 69.8 | 55% | 0.553 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -79.3 | -8.2 | -179.7 | -65.7 | 79.9 | 0 | 0 | 0 | 112.9 | I38 | I38-W53 HydrophobicContact CG2-CD2 4.48Å; I38-W53 HydrophobicContact CG2-CE3 3.87Å; I38-W53 HydrophobicContact CG2-CH2 3.79Å; I38-W53 HydrophobicContact CG2-CZ2 4.38Å; I38-W53 HydrophobicContact CG2-CZ3 3.5Å; I38-W53 VanDerWaalsContact CG2-CZ3 3.5Å |
| 54 | R | 49.2 | Very low | 46.8 | Very low | 140 Ų | 140 | 77.7 Ų | 77.7 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -142.8 | 148.6 | 179.7 | -70.8 | -173.4 | 178.5 | -170.8 | -2 | 109.8 | F52 F75 | F52-R54 PolarHBondContact O-N 2.94Å; R54-F75 VanDerWaalsContact CD-CE2 3.5Å |
| 55 | P | 48.1 | Very low | 46.6 | Very low | 48 Ų | 48 | 84.8 Ų | 84.8 | 31% | 0.312 | 44% | 0.439 | S | S | . | . | trans | -65.6 | 157 | 177.9 | 23.2 | -23.5 | 0 | 0 | 0 | 110.5 | Y42 | Y42-P55 HydrophobicContact CD1-CB 3.75Å; Y42-P55 HydrophobicContact CD2-CB 3.55Å; Y42-P55 HydrophobicContact CD2-CG 3.78Å; Y42-P55 HydrophobicContact CE1-CB 3.63Å; Y42-P55 HydrophobicContact CE1-CG 4.27Å; Y42-P55 HydrophobicContact CE2-CB 3.45Å; Y42-P55 VanDerWaalsContact CE2-CB 3.45Å; Y42-P55 HydrophobicContact CE2-CG 3.32Å; Y42-P55 HydrophobicContact CG-CB 3.69Å; Y42-P55 HydrophobicContact CG-CG 4.42Å; Y42-P55 VanDerWaalsContact CZ-CB 3.46Å | ||
| 56 | P | 56.9 | Low | 46.4 | Very low | 22 Ų | 22 | 80.9 Ų | 80.9 | 14% | 0.143 | 43% | 0.431 | C | S | . | . | trans | -61.2 | 145.2 | 163.8 | 29.2 | -33.1 | 0 | 0 | 0 | 110 | I30 A58 L71 V72 F73 | I30-P56 HydrophobicContact CD1-CG 4.14Å; P56-A58 VanDerWaalsContact C-N 3.32Å; P56-L71 HydrophobicContact CB-CB 4.31Å; P56-L71 HydrophobicContact CB-CD2 4.46Å; P56-L71 HydrophobicContact CG-CD2 4.29Å; P56-V72 CarbonylContact C-O 3.5Å; P56-V72 WeakPolarHBondContact CA-O 3.36Å; P56-V72 WeakPolarHBondContact CB-O 3.49Å; P56-F73 HydrophobicContact CB-CD1 4.41Å; P56-F73 HydrophobicContact CB-CE1 4.12Å; P56-F73 HydrophobicContact CB-CZ 4.24Å; P56-F73 HydrophobicContact CG-CE1 4.5Å | ||
| 57 | I | 57 | Low | 46.1 | Very low | 114 Ų | 114 | 85 Ų | 85 | 59% | 0.585 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -75.5 | -26.2 | 178.1 | -33.9 | 171.9 | 0 | 0 | 0 | 111.2 | V72 P74 | I57-V72 HydrophobicContact CD1-CG1 4.35Å; I57-V72 PolarHBondContact N-O 2.91Å; I57-P74 VanDerWaalsContact CD1-CA 3.49Å; I57-P74 HydrophobicContact CD1-CB 3.4Å; I57-P74 HydrophobicContact CD1-CG 4.01Å; I57-P74 HydrophobicContact CG1-CB 3.54Å; I57-P74 HydrophobicContact CG1-CG 3.52Å |
| 58 | A | 49.2 | Very low | 46.3 | Very low | 40 Ų | 40 | 83.6 Ų | 83.6 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P56 V72 | P56-A58 VanDerWaalsContact C-N 3.32Å; A58-V72 HydrophobicContact CB-CB 4.42Å; A58-V72 HydrophobicContact CB-CG2 4.38Å |
| 59 | P | 49.2 | Very low | 46.8 | Very low | 105 Ų | 105 | 83.8 Ų | 83.8 | 68% | 0.682 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 155.7 | 174 | 28.2 | -33 | 0 | 0 | 0 | 110 | E61 | P59-E61 PolarHBondContact O-N 3.34Å |
| 60 | A | 50.9 | Low | 47 | Very low | 31 Ų | 31 | 82.3 Ų | 82.3 | 26% | 0.256 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 98.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | M62 A70 L71 | A60-M62 PolarHBondContact O-N 3.06Å; A60-A70 WeakPolarHBondContact CA-O 3.44Å; A60-L71 HydrophobicContact CB-CD2 3.85Å |
| 61 | E | 47 | Very low | 47.3 | Very low | 165 Ų | 165 | 81.2 Ų | 81.2 | 77% | 0.771 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 110.3 | 156 | -74 | -173.2 | -179.9 | 0 | 0 | 105.3 | P59 G63 | P59-E61 PolarHBondContact O-N 3.34Å; E61-G63 PolarHBondContact O-N 2.51Å; E61-G63 VanDerWaalsContact O-N 3.11Å |
| 62 | M | 42.8 | Very low | 47.6 | Very low | 139 Ų | 139 | 77.9 Ų | 77.9 | 69% | 0.685 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 112.9 | 171.3 | -78.5 | -166.4 | -68.7 | 0 | 0 | 106.6 | A60 Y68 | A60-M62 PolarHBondContact O-N 3.06Å; M62-Y68 CarbonylContact C-O 3.36Å; M62-Y68 WeakPolarHBondContact CA-O 3.07Å |
| 63 | G | 43.5 | Very low | 47.8 | Very low | 32 Ų | 32 | 77.6 Ų | 77.6 | 33% | 0.33 | 41% | 0.406 | S | S | . | . | trans | -53.4 | 161.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E61 E65 G66 Y68 | E61-G63 PolarHBondContact O-N 2.51Å; E61-G63 VanDerWaalsContact O-N 3.11Å; G63-E65 PolarHBondContact O-N 2.93Å; G63-G66 PolarHBondContact O-N 3.15Å; G63-Y68 PolarHBondContact N-O 3.06Å | ||
| 64 | H | 34.8 | Very low | 47.7 | Very low | 188 Ų | 188 | 72.7 Ų | 72.7 | 87% | 0.87 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.2 | 119.9 | 174 | -142.7 | -54.4 | 0 | 0 | 0 | 108.7 | ||
| 65 | E | 39.3 | Very low | 47.8 | Very low | 150 Ų | 150 | 70.9 Ų | 70.9 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | 1.7 | -175.4 | -49.4 | 179.4 | 166.4 | 0 | 0 | 118.8 | G63 H67 | G63-E65 PolarHBondContact O-N 2.93Å; E65-H67 VanDerWaalsContact CB-CD2 3.49Å; E65-H67 WeakPolarHBondContact CB-CD2 3.24Å; E65-H67 PolarHBondContact O-CD2 3.29Å; E65-H67 VanDerWaalsContact O-CD2 3.29Å; E65-H67 PolarHBondContact O-N 3.46Å; E65-H67 IonicContact OE2-CD2 3.68Å |
| 66 | G | 38 | Very low | 47.8 | Very low | 39 Ų | 39 | 69.9 Ų | 69.9 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 72 | 2.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G63 | G63-G66 PolarHBondContact O-N 3.15Š|
| 67 | H | 39.5 | Very low | 47.4 | Very low | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | trans | -93.8 | -4.2 | -173.6 | -68.4 | -48.4 | 0 | 0 | 0 | 114.2 | R26 E65 | R26-H67 VanDerWaalsContact CA-O 3.22Å; R26-H67 WeakPolarHBondContact CA-O 3.46Å; E65-H67 VanDerWaalsContact CB-CD2 3.49Å; E65-H67 WeakPolarHBondContact CB-CD2 3.24Å; E65-H67 PolarHBondContact O-CD2 3.29Å; E65-H67 VanDerWaalsContact O-CD2 3.29Å; E65-H67 PolarHBondContact O-N 3.46Å; E65-H67 IonicContact OE2-CD2 3.68Å | ||
| 68 | Y | 44.9 | Very low | 46.8 | Very low | 98 Ų | 98 | 74.2 Ų | 74.2 | 38% | 0.384 | 39% | 0.391 | S | S | . | . | trans | -142.8 | 111.7 | -175.3 | -62.2 | -77.8 | 0 | 0 | 0 | 109.8 | R26 M62 G63 | R26-Y68 HydrophobicContact CG-CE1 4.4Å; M62-Y68 CarbonylContact C-O 3.36Å; M62-Y68 WeakPolarHBondContact CA-O 3.07Å; G63-Y68 PolarHBondContact N-O 3.06Å | ||
| 69 | G | 48.3 | Very low | 46.5 | Very low | 7 Ų | 7 | 77.3 Ų | 77.3 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T25 | T25-G69 PolarHBondContact O-N 3.4Å |
| 70 | A | 51 | Low | 46.4 | Very low | 28 Ų | 28 | 78 Ų | 78 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V22 L23 F24 A60 | V22-A70 HydrophobicContact CG1-CB 4Å; L23-A70 WeakPolarHBondContact O-CA 3.36Å; F24-A70 HydrophobicContact CE1-CB 4.27Å; A60-A70 WeakPolarHBondContact CA-O 3.44Å |
| 71 | L | 54.7 | Low | 46.1 | Very low | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.8 | 172.7 | -59.4 | 177.9 | 0 | 0 | 0 | 110 | V22 L23 C28 I30 V44 P56 A60 F73 | V22-L71 VanDerWaalsContact CA-O 3.29Å; V22-L71 WeakPolarHBondContact CA-O 3.37Å; L23-L71 HydrophobicContact CB-CB 4.41Å; L23-L71 PolarHBondContact N-O 3.07Å; L23-L71 VanDerWaalsContact N-O 3.13Å; L23-L71 PolarHBondContact O-N 2.85Å; L23-L71 VanDerWaalsContact O-N 3.15Å; C28-L71 WeakPolarHBondContact SG-CD1 3.47Å; I30-L71 HydrophobicContact CD1-CD2 3.59Å; I30-L71 HydrophobicContact CG1-CD2 4.35Å; V44-L71 HydrophobicContact CB-CD1 4.34Å; V44-L71 HydrophobicContact CG1-CD1 3.45Å; V44-L71 VanDerWaalsContact CG1-CD1 3.45Å; V44-L71 HydrophobicContact CG2-CD1 3.91Å; P56-L71 HydrophobicContact CB-CB 4.31Å; P56-L71 HydrophobicContact CB-CD2 4.46Å; P56-L71 HydrophobicContact CG-CD2 4.29Å; A60-L71 HydrophobicContact CB-CD2 3.85Å; L71-F73 HydrophobicContact CB-CD2 4.44Å; L71-F73 HydrophobicContact CB-CE2 3.63Å; L71-F73 HydrophobicContact CB-CZ 4.13Å; L71-F73 HydrophobicContact CD1-CE2 4.38Å; L71-F73 HydrophobicContact CD1-CZ 4.28Å |
| 72 | V | 53.8 | Low | 45.7 | Very low | 30 Ų | 30 | 74.3 Ų | 74.3 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.8 | 177.8 | -175 | 0 | 0 | 0 | 0 | 109.5 | P20 L21 V22 P56 I57 A58 I96 | P20-V72 HydrophobicContact CB-CG1 4.19Å; L21-V72 WeakPolarHBondContact O-CA 3Å; V22-V72 HydrophobicContact CG2-CG2 4.31Å; P56-V72 CarbonylContact C-O 3.5Å; P56-V72 WeakPolarHBondContact CA-O 3.36Å; P56-V72 WeakPolarHBondContact CB-O 3.49Å; I57-V72 HydrophobicContact CD1-CG1 4.35Å; I57-V72 PolarHBondContact N-O 2.91Å; A58-V72 HydrophobicContact CB-CB 4.42Å; A58-V72 HydrophobicContact CB-CG2 4.38Å; V72-I96 HydrophobicContact CG1-CD1 4.16Å |
| 73 | F | 57.5 | Low | 45.5 | Very low | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.022 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.9 | 174.6 | -66.3 | -87.7 | 0 | 0 | 0 | 111.3 | P20 L21 L23 V44 F52 P56 L71 F75 | P20-F73 WeakPolarHBondContact CA-O 3.36Å; P20-F73 VanDerWaalsContact CB-O 3.24Å; P20-F73 WeakPolarHBondContact CB-O 3.45Å; L21-F73 HydrophobicContact CB-CB 4.4Å; L21-F73 HydrophobicContact CB-CD2 4.43Å; L21-F73 HydrophobicContact CD2-CD2 4.48Å; L21-F73 PolarHBondContact N-O 3.11Å; L21-F73 PolarHBondContact O-N 2.76Å; L23-F73 HydrophobicContact CD1-CD2 4.43Å; L23-F73 HydrophobicContact CD1-CE2 3.6Å; L23-F73 HydrophobicContact CD1-CZ 4.33Å; L23-F73 HydrophobicContact CG-CE2 4.26Å; V44-F73 HydrophobicContact CG2-CZ 4.04Å; F52-F73 HydrophobicContact CB-CD1 4.2Å; F52-F73 HydrophobicContact CB-CE1 3.64Å; F52-F73 HydrophobicContact CB-CZ 4.3Å; F52-F73 AromaticContact CD1-CD1 3.92Å; F52-F73 HydrophobicContact CD1-CD1 3.92Å; F52-F73 HydrophobicContact CD1-CD2 4.39Å; F52-F73 AromaticContact CD1-CE1 3.73Å; F52-F73 HydrophobicContact CD1-CE1 3.73Å; F52-F73 HydrophobicContact CD1-CE2 4.23Å; F52-F73 HydrophobicContact CD1-CG 4.24Å; F52-F73 AromaticContact CD1-CZ 3.9Å; F52-F73 HydrophobicContact CD1-CZ 3.9Å; F52-F73 AromaticContact CD2-CE1 3.78Å; F52-F73 HydrophobicContact CD2-CE1 3.78Å; F52-F73 HydrophobicContact CD2-CE2 4.32Å; F52-F73 AromaticContact CD2-CZ 3.53Å; F52-F73 HydrophobicContact CD2-CZ 3.53Å; F52-F73 HydrophobicContact CE1-CD2 4.3Å; F52-F73 HydrophobicContact CE1-CE1 4.4Å; F52-F73 HydrophobicContact CE1-CE2 4.09Å; F52-F73 HydrophobicContact CE1-CZ 4.14Å; F52-F73 HydrophobicContact CE2-CE1 4.4Å; F52-F73 HydrophobicContact CE2-CE2 4.13Å; F52-F73 AromaticContact CE2-CZ 3.75Å; F52-F73 HydrophobicContact CE2-CZ 3.75Å; F52-F73 HydrophobicContact CG-CD1 4.03Å; F52-F73 AromaticContact CG-CE1 3.41Å; F52-F73 HydrophobicContact CG-CE1 3.41Å; F52-F73 VanDerWaalsContact CG-CE1 3.41Å; F52-F73 HydrophobicContact CG-CE2 4.38Å; F52-F73 AromaticContact CG-CZ 3.62Å; F52-F73 HydrophobicContact CG-CZ 3.62Å; F52-F73 HydrophobicContact CZ-CE2 4.08Å; F52-F73 HydrophobicContact CZ-CZ 4.11Å; P56-F73 HydrophobicContact CB-CD1 4.41Å; P56-F73 HydrophobicContact CB-CE1 4.12Å; P56-F73 HydrophobicContact CB-CZ 4.24Å; P56-F73 HydrophobicContact CG-CE1 4.5Å; L71-F73 HydrophobicContact CB-CD2 4.44Å; L71-F73 HydrophobicContact CB-CE2 3.63Å; L71-F73 HydrophobicContact CB-CZ 4.13Å; L71-F73 HydrophobicContact CD1-CE2 4.38Å; L71-F73 HydrophobicContact CD1-CZ 4.28Å; F73-F75 PolarHBondContact O-N 3.38Å |
| 74 | P | 45.6 | Very low | 45.1 | Very low | 43 Ų | 43 | 75.5 Ų | 75.5 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -74.1 | -9 | 179.8 | 20.5 | -18.9 | 0 | 0 | 0 | 114.6 | I57 | I57-P74 VanDerWaalsContact CD1-CA 3.49Å; I57-P74 HydrophobicContact CD1-CB 3.4Å; I57-P74 HydrophobicContact CD1-CG 4.01Å; I57-P74 HydrophobicContact CG1-CB 3.54Å; I57-P74 HydrophobicContact CG1-CG 3.52Å |
| 75 | F | 51.2 | Low | 45 | Very low | 102 Ų | 102 | 78.1 Ų | 78.1 | 45% | 0.447 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -144.1 | 154.7 | -174.5 | -53.4 | -80 | 0 | 0 | 0 | 109.8 | R54 F73 | R54-F75 VanDerWaalsContact CD-CE2 3.5Å; F73-F75 PolarHBondContact O-N 3.38Å |
| 76 | S | 49.5 | Very low | 44.8 | Very low | 26 Ų | 26 | 72.6 Ų | 72.6 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | trans | -64.4 | 144.1 | 171.2 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | F17 | F17-S76 PolarHBondContact N-OG 3.15Å; F17-S76 WeakPolarHBondContact O-CB 3.39Å; F17-S76 PolarHBondContact O-OG 3.44Å | ||
| 77 | P | 48.8 | Very low | 44.6 | Very low | 15 Ų | 15 | 74.3 Ų | 74.3 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | trans | -60.4 | 141.3 | 164.1 | 27.6 | -33.4 | 0 | 0 | 0 | 108.9 | L21 F52 F79 L81 | L21-P77 HydrophobicContact CD2-CG 3.91Å; F52-P77 HydrophobicContact CE1-CB 4.32Å; P77-F79 HydrophobicContact CG-CE2 4.12Å; P77-F79 HydrophobicContact CG-CZ 4.38Å; P77-F79 WeakPolarHBondContact O-CD2 3.39Å; P77-F79 PolarHBondContact O-N 2.86Å; P77-L81 HydrophobicContact CB-CD2 3.6Å; P77-L81 HydrophobicContact CB-CG 4.16Å; P77-L81 HydrophobicContact CG-CD1 3.97Å; P77-L81 HydrophobicContact CG-CD2 3.89Å; P77-L81 HydrophobicContact CG-CG 4Å | ||
| 78 | R | 43.2 | Very low | 44.4 | Very low | 212 Ų | 212 | 74.8 Ų | 74.8 | 80% | 0.8 | 39% | 0.393 | S | S | * | . | trans | -65.5 | 110.6 | 165.3 | -74.4 | -173.2 | 174.5 | -179.7 | -1.6 | 107.7 | ||||
| 79 | F | 43.3 | Very low | 43.9 | Very low | 105 Ų | 105 | 74 Ų | 74 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -70.4 | 155.7 | 175.6 | -80.6 | -88 | 0 | 0 | 0 | 111.7 | F17 P77 L81 | F17-F79 HydrophobicContact CD2-CD2 4.17Å; F17-F79 HydrophobicContact CD2-CE2 4.05Å; F17-F79 HydrophobicContact CE2-CD2 4.38Å; F17-F79 HydrophobicContact CE2-CE2 4.31Å; P77-F79 HydrophobicContact CG-CE2 4.12Å; P77-F79 HydrophobicContact CG-CZ 4.38Å; P77-F79 WeakPolarHBondContact O-CD2 3.39Å; P77-F79 PolarHBondContact O-N 2.86Å; F79-L81 HydrophobicContact CD1-CG 4.31Å; F79-L81 HydrophobicContact CE1-CB 4.49Å; F79-L81 HydrophobicContact CE1-CD1 3.96Å; F79-L81 HydrophobicContact CE1-CG 4.09Å; F79-L81 HydrophobicContact CZ-CD1 4.24Å |
| 80 | P | 46.5 | Very low | 43.5 | Very low | 121 Ų | 121 | 77.6 Ų | 77.6 | 79% | 0.786 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | cis | -81.6 | 129.4 | 3.1 | 30.7 | -31.3 | 0 | 0 | 0 | 112.2 | ||
| 81 | L | 44.3 | Very low | 42.9 | Very low | 38 Ų | 38 | 78 Ų | 78 | 20% | 0.199 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 127.8 | 163 | -73.4 | 171.6 | 0 | 0 | 0 | 107.4 | P77 F79 I83 | P77-L81 HydrophobicContact CB-CD2 3.6Å; P77-L81 HydrophobicContact CB-CG 4.16Å; P77-L81 HydrophobicContact CG-CD1 3.97Å; P77-L81 HydrophobicContact CG-CD2 3.89Å; P77-L81 HydrophobicContact CG-CG 4Å; F79-L81 HydrophobicContact CD1-CG 4.31Å; F79-L81 HydrophobicContact CE1-CB 4.49Å; F79-L81 HydrophobicContact CE1-CD1 3.96Å; F79-L81 HydrophobicContact CE1-CG 4.09Å; F79-L81 HydrophobicContact CZ-CD1 4.24Å; L81-I83 PolarHBondContact O-N 2.91Å |
| 82 | P | 39.2 | Very low | 42.1 | Very low | 79 Ų | 79 | 81.2 Ų | 81.2 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | trans | -59.7 | 113.6 | 172.4 | 22.5 | -29.3 | 0 | 0 | 0 | 107.6 | V84 | P82-V84 HydrophobicContact CB-CG2 4.39Å; P82-V84 PolarHBondContact O-N 3.38Å | ||
| 83 | I | 39.7 | Very low | 41.3 | Very low | 135 Ų | 135 | 86 Ų | 86 | 69% | 0.692 | 45% | 0.451 | S | S | * | . | trans | -70.5 | 86.2 | 170.6 | -58.9 | 174.1 | 0 | 0 | 0 | 105.8 | L81 R85 | L81-I83 PolarHBondContact O-N 2.91Å; I83-R85 PolarHBondContact O-N 2.85Å | ||
| 84 | V | 33.3 | Very low | 40.3 | Very low | 62 Ų | 62 | 87.5 Ų | 87.5 | 38% | 0.376 | 47% | 0.465 | S | S | . | . | trans | -76 | 107.7 | 167.2 | -174.4 | 0 | 0 | 0 | 0 | 105.6 | P82 S86 | P82-V84 HydrophobicContact CB-CG2 4.39Å; P82-V84 PolarHBondContact O-N 3.38Å; V84-S86 PolarHBondContact O-N 3.33Å | ||
| 85 | R | 33.5 | Very low | 39.6 | Very low | 243 Ų | 243 | 93.3 Ų | 93.3 | 92% | 0.917 | 48% | 0.482 | S | S | * | . | trans | -62.4 | 86.2 | 170.1 | -80.3 | -177.4 | 172.2 | -177.8 | -1.9 | 108.4 | I83 | I83-R85 PolarHBondContact O-N 2.85Š| ||
| 86 | S | 34.4 | Very low | 38.8 | Very low | 33 Ų | 33 | 92.5 Ų | 92.5 | 23% | 0.231 | 48% | 0.482 | C | S | . | . | trans | -112.1 | 138.1 | 161 | 81.7 | 0 | 0 | 0 | 0 | 108.6 | S48 V84 N88 F89 | S48-S86 VanDerWaalsContact OG-CB 3.24Å; S48-S86 WeakPolarHBondContact OG-CB 3.24Å; S48-S86 PolarHBondContact OG-OG 2.75Å; V84-S86 PolarHBondContact O-N 3.33Å; S86-N88 VanDerWaalsContact C-N 3.3Å; S86-N88 PolarHBondContact O-N 2.99Å; S86-F89 VanDerWaalsContact O-CD1 3.31Å; S86-F89 WeakPolarHBondContact O-CD1 3.49Å | ||
| 87 | G | 34.2 | Very low | 37.7 | Very low | 76 Ų | 76 | 93.5 Ų | 93.5 | 78% | 0.784 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -73.5 | 12.1 | -149.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 88 | N | 34.8 | Very low | 36.7 | Very low | 112 Ų | 112 | 98.4 Ų | 98.4 | 60% | 0.599 | 52% | 0.523 | S | S | * | . | trans | -164.7 | 66.9 | 176.8 | -80.9 | -51.3 | 0 | 0 | 0 | 112.9 | S86 | S86-N88 VanDerWaalsContact C-N 3.3Å; S86-N88 PolarHBondContact O-N 2.99Å | ||
| 89 | F | 35.9 | Very low | 35.9 | Very low | 81 Ų | 81 | 95.8 Ų | 95.8 | 36% | 0.355 | 52% | 0.524 | S | S | . | . | trans | -110.5 | 144.5 | 171.6 | 66 | -95.9 | 0 | 0 | 0 | 112.9 | S86 V91 | S86-F89 VanDerWaalsContact O-CD1 3.31Å; S86-F89 WeakPolarHBondContact O-CD1 3.49Å; F89-V91 HydrophobicContact CD2-CG2 3.85Å; F89-V91 HydrophobicContact CE2-CG2 4.28Å | ||
| 90 | F | 39.1 | Very low | 35 | Very low | 83 Ų | 83 | 102 Ų | 102 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | B | Isolated β-bridge | trans | -118 | 98.4 | 172.1 | -66.1 | -90.1 | 0 | 0 | 0 | 108 | L2 F24 S92 | L2-F90 HydrophobicContact CB-CD1 4.41Å; L2-F90 HydrophobicContact CB-CE1 3.74Å; L2-F90 HydrophobicContact CD2-CD1 3.46Å; L2-F90 VanDerWaalsContact CD2-CD1 3.46Å; L2-F90 HydrophobicContact CD2-CE1 3.55Å; L2-F90 HydrophobicContact CG-CE1 4.26Å; F24-F90 VanDerWaalsContact O-O 3.12Å; F90-S92 PolarHBondContact O-N 3.46Å |
| 91 | V | 39.5 | Very low | 34.1 | Very low | 38 Ų | 38 | 105.1 Ų | 105.1 | 23% | 0.23 | 55% | 0.548 | C | S | . | . | trans | -90.2 | 97 | 168.7 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | L21 L23 F89 | L21-V91 HydrophobicContact CD1-CG1 4.4Å; L23-V91 HydrophobicContact CD2-CG1 4.24Å; L23-V91 HydrophobicContact CD2-CG2 4.09Å; F89-V91 HydrophobicContact CD2-CG2 3.85Å; F89-V91 HydrophobicContact CE2-CG2 4.28Å | ||
| 92 | S | 36.4 | Very low | 33.6 | Very low | 66 Ų | 66 | 108.5 Ų | 108.5 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | trans | -90.8 | 110.8 | 169.7 | -167 | 0 | 0 | 0 | 0 | 108.4 | F90 A94 | F90-S92 PolarHBondContact O-N 3.46Å; S92-A94 PolarHBondContact O-N 3.02Å | ||
| 93 | L | 37.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 109.5 Ų | 109.5 | 68% | 0.681 | 58% | 0.584 | S | S | * | * | trans | -69.4 | 95.8 | 170.1 | -74.5 | 163.6 | 0 | 0 | 0 | 108.2 | L21 Y95 | L21-L93 HydrophobicContact CD1-CD2 3.49Å; L21-L93 VanDerWaalsContact CD1-CD2 3.49Å; L93-Y95 PolarHBondContact O-N 2.91Å | ||
| 94 | A | 36.9 | Very low | 33.5 | Very low | 37 Ų | 37 | 108.8 Ų | 108.8 | 31% | 0.306 | 59% | 0.588 | S | S | . | * | trans | -80.1 | 115.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V22 S92 I96 | V22-A94 HydrophobicContact CB-CB 4.13Å; V22-A94 HydrophobicContact CG2-CB 3.83Å; S92-A94 PolarHBondContact O-N 3.02Å; A94-I96 PolarHBondContact O-N 3.47Å | ||
| 95 | Y | 31 | Very low | 34 | Very low | 165 Ų | 165 | 111.7 Ų | 111.7 | 65% | 0.647 | 61% | 0.606 | S | S | * | * | trans | -70.5 | 111 | 165.8 | 177.4 | -103.9 | 0 | 0 | 0 | 108.5 | F19 L93 A97 | F19-Y95 HydrophobicContact CD1-CD2 4.36Å; F19-Y95 HydrophobicContact CD1-CE2 4.2Å; F19-Y95 HydrophobicContact CE1-CE2 4.11Å; L93-Y95 PolarHBondContact O-N 2.91Å; Y95-A97 HydrophobicContact CD1-CB 4.1Å; Y95-A97 HydrophobicContact CE1-CB 3.5Å; Y95-A97 VanDerWaalsContact CE1-CB 3.5Å; Y95-A97 PolarHBondContact O-N 3.27Å | ||
| 96 | I | 32.9 | Very low | 34.6 | Very low | 86 Ų | 86 | 105.5 Ų | 105.5 | 44% | 0.441 | 60% | 0.599 | S | S | . | * | trans | -90.6 | 99.7 | 167.3 | -52.8 | 178.6 | 0 | 0 | 0 | 106.6 | P20 V72 A94 | P20-I96 HydrophobicContact CB-CD1 4.14Å; P20-I96 HydrophobicContact CG-CB 3.73Å; P20-I96 HydrophobicContact CG-CD1 3.83Å; P20-I96 HydrophobicContact CG-CG1 3.89Å; V72-I96 HydrophobicContact CG1-CD1 4.16Å; A94-I96 PolarHBondContact O-N 3.47Å | ||
| 97 | A | 28 | Very low | 35.1 | Very low | 46 Ų | 46 | 112.5 Ų | 112.5 | 38% | 0.38 | 63% | 0.629 | S | S | . | * | trans | -64.2 | 137 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y95 I99 | Y95-A97 HydrophobicContact CD1-CB 4.1Å; Y95-A97 HydrophobicContact CE1-CB 3.5Å; Y95-A97 VanDerWaalsContact CE1-CB 3.5Å; Y95-A97 PolarHBondContact O-N 3.27Å; A97-I99 PolarHBondContact O-N 3.05Å | ||
| 98 | P | 26.5 | Very low | 35.8 | Very low | 118 Ų | 118 | 113.6 Ų | 113.6 | 77% | 0.766 | 62% | 0.624 | S | S | * | * | trans | -59.9 | 115.3 | 167.8 | 23 | -29.6 | 0 | 0 | 0 | 108.8 | R100 | P98-R100 PolarHBondContact O-N 2.95Š| ||
| 99 | I | 26.3 | Very low | 36.4 | Very low | 158 Ų | 158 | 113.1 Ų | 113.1 | 81% | 0.81 | 63% | 0.63 | S | S | * | * | trans | -67.4 | 120.2 | 168.4 | -61.5 | 173 | 0 | 0 | 0 | 106 | A97 Q101 | A97-I99 PolarHBondContact O-N 3.05Å; I99-Q101 PolarHBondContact O-N 3.09Å; I99-Q101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | R | 26.2 | Very low | 37.4 | Very low | 235 Ų | 235 | 114.9 Ų | 114.9 | 89% | 0.887 | 65% | 0.652 | S | S | * | * | trans | -60.6 | 115.7 | 164.6 | -74.9 | -172.5 | 177.7 | -172.8 | -0.4 | 106.3 | P98 S102 | P98-R100 PolarHBondContact O-N 2.95Å; R100-S102 PolarHBondContact O-N 3.3Å | ||
| 101 | Q | 26.1 | Very low | 37.9 | Very low | 186 Ų | 186 | 116.3 Ų | 116.3 | 87% | 0.869 | 67% | 0.67 | S | S | * | * | trans | -53.4 | 112.2 | 165.2 | -81.7 | 178.1 | -47.9 | 0 | 0 | 106.8 | I99 S103 | I99-Q101 PolarHBondContact O-N 3.09Å; I99-Q101 VanDerWaalsContact O-N 3.09Å; Q101-S103 PolarHBondContact O-N 2.84Å | ||
| 102 | S | 35.4 | Very low | 38.4 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | -57.2 | 123 | 158.7 | 49.5 | 0 | 0 | 0 | 0 | 105.4 | R100 | R100-S102 PolarHBondContact O-N 3.3Š| ||
| 103 | S | 36.5 | Very low | 39.6 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | trans | -40.1 | 144.2 | 174.5 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | Q101 V105 | Q101-S103 PolarHBondContact O-N 2.84Å; S103-V105 PolarHBondContact O-N 2.98Å; S103-V105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | P | 40 | Very low | 40.7 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -50.1 | 128.3 | 179.4 | 20.9 | -31.3 | 0 | 0 | 0 | 108.9 | S106 | P104-S106 PolarHBondContact O-N 3.14Š| ||
| 105 | V | 43.4 | Very low | 41.2 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -56.1 | 112.5 | 168.8 | 176.6 | 0 | 0 | 0 | 0 | 105.4 | S103 E107 | S103-V105 PolarHBondContact O-N 2.98Å; S103-V105 VanDerWaalsContact O-N 3.14Å; V105-E107 HydrophobicContact CG1-CG 4.07Å; V105-E107 PolarHBondContact O-N 3.21Å | ||
| 106 | S | 46 | Very low | 41.8 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -64.7 | 86.9 | 164.1 | -65 | 0 | 0 | 0 | 0 | 107.2 | P104 S108 | P104-S106 PolarHBondContact O-N 3.14Å; S106-S108 PolarHBondContact O-N 3.28Å | ||
| 107 | E | 44 | Very low | 42.2 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 75.5 | 157.8 | -76.6 | -173.6 | 163.7 | 0 | 0 | 107.4 | V105 S109 | V105-E107 HydrophobicContact CG1-CG 4.07Å; V105-E107 PolarHBondContact O-N 3.21Å; E107-S109 VanDerWaalsContact C-N 3.31Å; E107-S109 PolarHBondContact O-N 2.95Å | ||
| 108 | S | 49 | Very low | 43 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -88.9 | 82.7 | 163 | 69 | 0 | 0 | 0 | 0 | 108.1 | S106 S110 | S106-S108 PolarHBondContact O-N 3.28Å; S108-S110 PolarHBondContact O-N 3.09Å | ||
| 109 | S | 48.7 | Very low | 44 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | 23.1 | 97.7 | 143.6 | 58 | 0 | 0 | 0 | 0 | 116.2 | E107 P111 | E107-S109 VanDerWaalsContact C-N 3.31Å; E107-S109 PolarHBondContact O-N 2.95Å; S109-P111 WeakPolarHBondContact O-CD 3.44Å | ||
| 110 | S | 55.5 | Low | 45.1 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -63 | 123.3 | 148.9 | -67.2 | 0 | 0 | 0 | 0 | 107.6 | S108 N112 | S108-S110 PolarHBondContact O-N 3.09Å; S110-N112 PolarHBondContact O-N 3.14Å; S110-N112 VanDerWaalsContact O-N 3.14Å | ||
| 111 | P | 50.2 | Low | 46.4 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -69 | 115 | 173.6 | 27.3 | -29.1 | 0 | 0 | 0 | 107.9 | S109 S113 | S109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-S113 PolarHBondContact O-N 3.47Å; P111-S113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | N | 50.5 | Low | 47.8 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 109.5 | 159.3 | -103.5 | -10.2 | 0 | 0 | 0 | 107.7 | S110 | S110-N112 PolarHBondContact O-N 3.14Å; S110-N112 VanDerWaalsContact O-N 3.14Å | ||
| 113 | S | 61.1 | Low | 48.8 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -121.2 | 99.5 | 158.5 | 57.1 | 0 | 0 | 0 | 0 | 107.9 | P111 | P111-S113 PolarHBondContact O-N 3.47Å; P111-S113 VanDerWaalsContact O-N 3.09Å | ||
| 114 | W | 59.7 | Low | 49.8 | Very low | 223 Ų | 223 | 136.8 Ų | 136.8 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -63.9 | 147.4 | 150.8 | -80.3 | 43.7 | 0 | 0 | 0 | 107.7 | ||||
| 115 | P | 49.4 | Very low | 50.7 | Low | 192 Ų | 192 | 138.5 Ų | 138.5 | 100% | 1.247 | 82% | 0.817 | S | S | * | * | cis | -95.8 | 0 | 35 | 35.2 | -35.5 | 0 | 0 | 0 | 116.7 |
Retrieved 115 of 115 residues in 118.4 ms
(Link to these results)