| 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 | 46.8 | Very low | 42.8 | Very low | 250 Ų | 250 | 137.9 Ų | 137.9 | 100% | 1.232 | 83% | 0.825 | S | S | * | * | 0 | 108.4 | 0 | -80.4 | 161.4 | 150.3 | 0 | 0 | 107.3 | |||||
| 2 | S | 38.8 | Very low | 42.8 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -165 | 85.7 | 177.9 | 44.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 3 | G | 41.2 | Very low | 43 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -74.5 | 123.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | D5 | G3-D5 VanDerWaalsContact C-N 3.32Å; G3-D5 PolarHBondContact O-N 3.14Å | ||
| 4 | S | 40.3 | Very low | 43.9 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -81.2 | 84.6 | 163 | 52.2 | 0 | 0 | 0 | 0 | 108.1 | G6 | S4-G6 VanDerWaalsContact C-N 3.29Å; S4-G6 PolarHBondContact O-N 2.92Å | ||
| 5 | D | 41.5 | Very low | 45.2 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -71.6 | 90.2 | 168.8 | -162.1 | -108.3 | 0 | 0 | 0 | 108 | G3 G7 | G3-D5 VanDerWaalsContact C-N 3.32Å; G3-D5 PolarHBondContact O-N 3.14Å; D5-G7 PolarHBondContact O-N 3.21Å | ||
| 6 | G | 38.1 | Very low | 47.3 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | -78.2 | 94.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S4 L8 | S4-G6 VanDerWaalsContact C-N 3.29Å; S4-G6 PolarHBondContact O-N 2.92Å; G6-L8 PolarHBondContact O-N 3.17Å | ||
| 7 | G | 35.6 | Very low | 49.3 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | -55 | 108.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D5 E9 | D5-G7 PolarHBondContact O-N 3.21Å; G7-E9 PolarHBondContact O-N 3.08Å | ||
| 8 | L | 42.2 | Very low | 51.3 | Low | 135 Ų | 135 | 120.6 Ų | 120.6 | 71% | 0.707 | 71% | 0.713 | S | S | * | * | trans | -69.1 | 112.6 | 168.2 | -74.1 | 170.9 | 0 | 0 | 0 | 107.2 | G6 E10 | G6-L8 PolarHBondContact O-N 3.17Å; L8-E10 PolarHBondContact O-N 3.08Å | ||
| 9 | E | 43.7 | Very low | 53.1 | Low | 172 Ų | 172 | 118.3 Ų | 118.3 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -52.8 | 121.4 | -175.4 | -63.7 | 166.6 | 120.8 | 0 | 0 | 110.7 | G7 E11 | G7-E9 PolarHBondContact O-N 3.08Å; E9-E11 PolarHBondContact O-N 3.48Å | ||
| 10 | E | 49.1 | Very low | 54.8 | Low | 196 Ų | 196 | 112.7 Ų | 112.7 | 92% | 0.916 | 67% | 0.667 | S | S | * | * | trans | -73.2 | 75 | 171.1 | -71.1 | -165.2 | 108.6 | 0 | 0 | 109.6 | L8 | L8-E10 PolarHBondContact O-N 3.08Š| ||
| 11 | E | 53.2 | Low | 56.4 | Low | 153 Ų | 153 | 108.9 Ų | 108.9 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | trans | -55 | 146.6 | 163.2 | -86.1 | -84.9 | 87.3 | 0 | 0 | 110.4 | E9 E13 | E9-E11 PolarHBondContact O-N 3.48Å; E11-E13 PolarHBondContact O-N 3.18Å | ||
| 12 | P | 43.3 | Very low | 58.3 | Low | 101 Ų | 101 | 97 Ų | 97 | 66% | 0.656 | 58% | 0.582 | S | S | * | * | trans | -63.3 | 113.3 | -164.8 | 24.6 | -34.4 | 0 | 0 | 0 | 112.3 | L14 | P12-L14 VanDerWaalsContact C-N 3.3Å; P12-L14 PolarHBondContact O-N 3.24Å | ||
| 13 | E | 45.3 | Very low | 60.6 | Low | 130 Ų | 130 | 91.6 Ų | 91.6 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | trans | -66.2 | 83.4 | 178.5 | -75 | -114.8 | 101.2 | 0 | 0 | 111.9 | E11 S15 A70 | E11-E13 PolarHBondContact O-N 3.18Å; E13-S15 PolarHBondContact O-N 2.91Å; E13-S15 VanDerWaalsContact O-N 3.13Å; E13-A70 WeakPolarHBondContact OE1-CB 3.4Å; E13-A70 WeakPolarHBondContact OE2-CB 3.25Å | ||
| 14 | L | 55.3 | Low | 62.8 | Low | 126 Ų | 126 | 88.1 Ų | 88.1 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | trans | -58.2 | 114.2 | 154.5 | -62.9 | 175.7 | 0 | 0 | 0 | 107.1 | P12 I16 | P12-L14 VanDerWaalsContact C-N 3.3Å; P12-L14 PolarHBondContact O-N 3.24Å; L14-I16 HydrophobicContact CB-CD1 3.69Å; L14-I16 HydrophobicContact CB-CG1 3.89Å; L14-I16 HydrophobicContact CD1-CD1 4.05Å; L14-I16 PolarHBondContact O-N 2.94Å | ||
| 15 | S | 64.4 | Low | 64.9 | Low | 109 Ų | 109 | 86.1 Ų | 86.1 | 76% | 0.762 | 48% | 0.483 | S | S | * | . | trans | -73.5 | 52.5 | -178.2 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | E13 | E13-S15 PolarHBondContact O-N 2.91Å; E13-S15 VanDerWaalsContact O-N 3.13Å | ||
| 16 | I | 78.1 | Confident | 66.8 | Low | 68 Ų | 68 | 80.1 Ų | 80.1 | 35% | 0.349 | 46% | 0.459 | S | S | . | . | trans | -75.4 | 129.1 | 179.5 | -63 | 165.5 | 0 | 0 | 0 | 108.4 | L14 T69 L171 | L14-I16 HydrophobicContact CB-CD1 3.69Å; L14-I16 HydrophobicContact CB-CG1 3.89Å; L14-I16 HydrophobicContact CD1-CD1 4.05Å; L14-I16 PolarHBondContact O-N 2.94Å; I16-T69 PolarHBondContact O-N 3.22Å; I16-L171 HydrophobicContact CB-CD1 4.5Å; I16-L171 HydrophobicContact CD1-CD1 4.26Å; I16-L171 HydrophobicContact CG2-CD1 4.15Å; I16-L171 HydrophobicContact CG2-CD2 3.52Å; I16-L171 HydrophobicContact CG2-CG 4.46Å | ||
| 17 | T | 81.9 | Confident | 68.9 | Low | 113 Ų | 113 | 83.4 Ų | 83.4 | 69% | 0.693 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.4 | 174.2 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | G67 | T17-G67 WeakPolarHBondContact CA-O 3.4Å |
| 18 | L | 83.9 | Confident | 71.2 | Confident | 6 Ų | 6 | 81.4 Ų | 81.4 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.9 | -171.6 | -131.5 | 145.6 | 0 | 0 | 0 | 109.1 | T66 G67 T69 V72 C167 L171 | L18-T66 VanDerWaalsContact O-CA 3.27Å; L18-T66 WeakPolarHBondContact O-CA 3.48Å; L18-G67 PolarHBondContact N-O 3.22Å; L18-G67 PolarHBondContact O-N 3.34Å; L18-T69 HydrophobicContact CD1-CG2 4.42Å; L18-V72 HydrophobicContact CB-CG2 4.27Å; L18-C167 WeakPolarHBondContact CD1-SG 3.47Å; L18-L171 HydrophobicContact CD1-CD1 3.63Å; L18-L171 HydrophobicContact CD1-CD2 3.55Å; L18-L171 HydrophobicContact CD1-CG 3.61Å; L18-L171 HydrophobicContact CG-CD2 3.79Å; L18-L171 HydrophobicContact CG-CG 4.32Å |
| 19 | T | 86.3 | Confident | 73.3 | Confident | 78 Ų | 78 | 75 Ų | 75 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 109.4 | 172.4 | -64.4 | 0 | 0 | 0 | 0 | 109.1 | T64 I65 T66 | T19-T64 HydrophobicContact CG2-CG2 3.59Å; T19-I65 CarbonylContact C-O 3.43Å; T19-I65 WeakPolarHBondContact CA-O 3.25Å; T19-T66 WeakPolarHBondContact CG2-OG1 3.34Å; T19-T66 WeakPolarHBondContact OG1-CG2 3.35Å; T19-T66 PolarHBondContact OG1-OG1 3.36Å |
| 20 | L | 87.4 | Confident | 75.3 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.6 | 176 | -164.9 | 68.9 | 0 | 0 | 0 | 109.4 | M22 T64 I65 V72 V76 L106 V163 | L20-M22 HydrophobicContact CD2-CG 4.37Å; L20-M22 HydrophobicContact CD2-SD 4.41Å; L20-M22 HydrophobicContact CG-CG 4.46Å; L20-T64 CarbonylContact O-C 3.51Å; L20-T64 WeakPolarHBondContact O-CA 3.45Å; L20-I65 PolarHBondContact N-O 3.28Å; L20-I65 PolarHBondContact O-N 3.5Å; L20-V72 HydrophobicContact CB-CG1 3.93Å; L20-V72 HydrophobicContact CD2-CG1 4.08Å; L20-V76 HydrophobicContact CD2-CG2 3.49Å; L20-V76 VanDerWaalsContact CD2-CG2 3.49Å; L20-L106 HydrophobicContact CD1-CD2 3.93Å; L20-L106 HydrophobicContact CD2-CD2 4.28Å; L20-L106 HydrophobicContact CG-CD2 4.35Å; L20-V163 HydrophobicContact CD2-CG1 3.93Å |
| 21 | R | 87.6 | Confident | 77 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.3 | 174.5 | -63 | -178.8 | 74.2 | -171 | 0.9 | 109.3 | I62 T64 V107 E147 Y182 | R21-I62 HydrophobicContact CB-CG2 4.27Å; R21-T64 HydrophobicContact CG-CG2 4.07Å; R21-V107 HydrophobicContact CB-CB 3.95Å; R21-V107 PolarHBondContact O-N 2.86Å; R21-E147 IonicContact CZ-OE1 2.7Å; R21-E147 IonicContact CZ-OE2 3.96Å; R21-E147 IonicContact NH1-OE1 3.53Å; R21-E147 PolarHBondContact NH1-OE1 2.81Å; R21-E147 IonicContact NH1-OE2 2.67Å; R21-E147 PolarHBondContact NH1-OE2 3.19Å; R21-E147 IonicContact NH2-OE2 2.67Å; R21-Y182 PolarHBondContact NH2-O 3.25Å |
| 22 | M | 88.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.9 | -179.7 | -56.7 | 175.9 | 79 | 0 | 0 | 108.9 | L20 M24 I62 T63 I65 V76 I79 L104 R105 | L20-M22 HydrophobicContact CD2-CG 4.37Å; L20-M22 HydrophobicContact CD2-SD 4.41Å; L20-M22 HydrophobicContact CG-CG 4.46Å; M22-M24 HydrophobicContact CB-CE 4.05Å; M22-M24 HydrophobicContact CE-CE 3.61Å; M22-M24 HydrophobicContact SD-CE 3.99Å; M22-I62 CarbonylContact O-C 3.5Å; M22-I62 WeakPolarHBondContact O-CA 3.16Å; M22-T63 PolarHBondContact N-O 3.15Å; M22-T63 PolarHBondContact O-N 3.49Å; M22-I65 HydrophobicContact SD-CD1 3.82Å; M22-V76 HydrophobicContact SD-CG2 4.39Å; M22-I79 HydrophobicContact CE-CG2 4.38Å; M22-L104 HydrophobicContact CE-CB 4.39Å; M22-L104 HydrophobicContact CE-CD1 3.71Å; M22-L104 HydrophobicContact CE-CD2 3.9Å; M22-L104 HydrophobicContact CE-CG 4.23Å; M22-R105 CarbonylContact C-O 3.58Å; M22-R105 WeakPolarHBondContact CA-O 3.31Å |
| 23 | L | 86.9 | Confident | 80.8 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128 | 171.6 | -167.4 | 76.3 | 0 | 0 | 0 | 108.2 | E60 R61 I62 R105 V107 | L23-E60 HydrophobicContact CD1-CB 4.03Å; L23-E60 HydrophobicContact CG-CB 4.38Å; L23-R61 WeakPolarHBondContact CA-O 3.49Å; L23-I62 HydrophobicContact CD1-CD1 4.45Å; L23-I62 HydrophobicContact CD1-CG1 3.74Å; L23-R105 HydrophobicContact CB-CB 4.02Å; L23-R105 VanDerWaalsContact CD2-CZ 3.42Å; L23-R105 PolarHBondContact N-O 3.04Å; L23-R105 WeakPolarHBondContact O-CB 3.39Å; L23-V107 HydrophobicContact CB-CG2 3.66Å; L23-V107 HydrophobicContact CD1-CG2 4.39Å |
| 24 | M | 85.4 | Confident | 82.7 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 4% | 0.044 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.1 | 178.1 | -69.6 | 170.7 | -178.8 | 0 | 0 | 109.5 | M22 V29 R61 I79 L104 | M22-M24 HydrophobicContact CB-CE 4.05Å; M22-M24 HydrophobicContact CE-CE 3.61Å; M22-M24 HydrophobicContact SD-CE 3.99Å; M24-V29 HydrophobicContact CB-CB 4.27Å; M24-R61 PolarHBondContact N-O 3.23Å; M24-R61 PolarHBondContact O-N 2.96Å; M24-I79 HydrophobicContact CE-CG2 3.51Å; M24-L104 HydrophobicContact CE-CD2 4.31Å |
| 25 | H | 84.6 | Confident | 84.3 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 37% | 0.366 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 154.4 | 172.4 | -156.8 | -87.5 | 0 | 0 | 0 | 110.4 | K27 E28 V29 P59 | H25-K27 HydrophobicContact CB-CG 4.19Å; H25-K27 PolarHBondContact O-N 3.15Å; H25-E28 WeakPolarHBondContact CB-OE2 3.23Å; H25-E28 PolarHBondContact O-N 2.86Å; H25-E28 VanDerWaalsContact O-N 3.1Å; H25-V29 WeakPolarHBondContact O-CG1 3.22Å; H25-V29 PolarHBondContact O-N 2.94Å; H25-V29 VanDerWaalsContact O-N 3.08Å; H25-P59 CarbonylContact C-O 3.57Å; H25-P59 WeakPolarHBondContact CA-O 3.36Å |
| 26 | G | 82.4 | Confident | 85.3 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -20.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G30 P59 | G26-G30 PolarHBondContact O-N 3.15Å; G26-P59 PolarHBondContact N-O 3.05Å |
| 27 | K | 82.4 | Confident | 85.7 | Confident | 134 Ų | 134 | 53.3 Ų | 53.3 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -76.9 | -50.6 | 177.2 | 74.9 | -162.8 | -169.3 | -70.8 | 0 | 111.3 | H25 G30 S31 | H25-K27 HydrophobicContact CB-CG 4.19Å; H25-K27 PolarHBondContact O-N 3.15Å; K27-G30 PolarHBondContact O-N 3.26Å; K27-S31 PolarHBondContact O-N 3.41Å |
| 28 | E | 83.8 | Confident | 86.1 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.4 | -47.5 | -177.2 | -66.1 | 152 | 88.4 | 0 | 0 | 110.6 | H25 G30 S31 I32 L83 | H25-E28 WeakPolarHBondContact CB-OE2 3.23Å; H25-E28 PolarHBondContact O-N 2.86Å; H25-E28 VanDerWaalsContact O-N 3.1Å; E28-G30 PolarHBondContact O-N 3.14Å; E28-S31 WeakPolarHBondContact O-CB 3.2Å; E28-S31 PolarHBondContact O-N 2.65Å; E28-I32 WeakPolarHBondContact O-CG1 3.47Å; E28-I32 PolarHBondContact O-N 3.47Å; E28-L83 HydrophobicContact CB-CD1 3.76Å; E28-L83 HydrophobicContact CG-CD1 3.62Å |
| 29 | V | 85.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -29.9 | 176.9 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | M24 H25 S31 I32 I33 I53 R61 | M24-V29 HydrophobicContact CB-CB 4.27Å; H25-V29 WeakPolarHBondContact O-CG1 3.22Å; H25-V29 PolarHBondContact O-N 2.94Å; H25-V29 VanDerWaalsContact O-N 3.08Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.06Å; V29-I32 PolarHBondContact O-N 2.85Å; V29-I33 HydrophobicContact CG2-CD1 4.15Å; V29-I33 WeakPolarHBondContact O-CB 3.44Å; V29-I33 WeakPolarHBondContact O-CD1 3.22Å; V29-I33 WeakPolarHBondContact O-CG1 3.46Å; V29-I33 PolarHBondContact O-N 3.09Å; V29-I53 HydrophobicContact CG2-CD1 4.27Å; V29-I53 HydrophobicContact CG2-CG2 4.18Å; V29-R61 HydrophobicContact CG1-CB 4.33Å; V29-R61 HydrophobicContact CG1-CG 4.27Å |
| 30 | G | 86.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G26 K27 E28 G34 | G26-G30 PolarHBondContact O-N 3.15Å; K27-G30 PolarHBondContact O-N 3.26Å; E28-G30 PolarHBondContact O-N 3.14Å; G30-G34 PolarHBondContact O-N 3.49Å |
| 31 | S | 85.5 | Confident | 86.6 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.2 | -41.9 | 175.5 | -157.1 | 0 | 0 | 0 | 0 | 112.4 | K27 E28 V29 I33 G34 D86 | K27-S31 PolarHBondContact O-N 3.41Å; E28-S31 WeakPolarHBondContact O-CB 3.2Å; E28-S31 PolarHBondContact O-N 2.65Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.06Å; S31-I33 VanDerWaalsContact C-N 3.3Å; S31-I33 PolarHBondContact O-N 3.01Å; S31-G34 PolarHBondContact O-N 3.25Å; S31-G34 VanDerWaalsContact O-N 3.1Å; S31-D86 WeakPolarHBondContact CB-OD2 3.34Å; S31-D86 VanDerWaalsContact OG-CG 3.27Å; S31-D86 PolarHBondContact OG-OD2 2.85Å |
| 32 | I | 87.4 | Confident | 86.7 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -35.5 | 174.2 | -56.3 | -54 | 0 | 0 | 0 | 112 | E28 V29 T39 V40 I43 I79 K82 | E28-I32 WeakPolarHBondContact O-CG1 3.47Å; E28-I32 PolarHBondContact O-N 3.47Å; V29-I32 PolarHBondContact O-N 2.85Å; I32-T39 WeakPolarHBondContact O-CB 3.48Å; I32-T39 WeakPolarHBondContact O-CG2 3.16Å; I32-V40 PolarHBondContact O-N 2.82Å; I32-I43 HydrophobicContact CG2-CD1 4Å; I32-I79 HydrophobicContact CD1-CG2 4.29Å; I32-I79 HydrophobicContact CG2-CG1 4.22Å; I32-K82 HydrophobicContact CD1-CB 3.64Å |
| 33 | I | 88.8 | Confident | 86.8 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 28% | 0.277 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -48 | 170.9 | -68.3 | 162.7 | 0 | 0 | 0 | 110.1 | V29 S31 G37 T39 V40 I53 | V29-I33 HydrophobicContact CG2-CD1 4.15Å; V29-I33 WeakPolarHBondContact O-CB 3.44Å; V29-I33 WeakPolarHBondContact O-CD1 3.22Å; V29-I33 WeakPolarHBondContact O-CG1 3.46Å; V29-I33 PolarHBondContact O-N 3.09Å; S31-I33 VanDerWaalsContact C-N 3.3Å; S31-I33 PolarHBondContact O-N 3.01Å; I33-G37 CarbonylContact O-C 3.52Å; I33-G37 VanDerWaalsContact O-C 3.31Å; I33-G37 VanDerWaalsContact O-CA 3.22Å; I33-G37 WeakPolarHBondContact O-CA 3.06Å; I33-T39 WeakPolarHBondContact O-CB 3.26Å; I33-T39 PolarHBondContact O-N 2.73Å; I33-V40 HydrophobicContact CB-CG1 4.41Å; I33-V40 HydrophobicContact CG2-CG1 4.15Å; I33-V40 PolarHBondContact O-N 2.72Å; I33-V40 VanDerWaalsContact O-N 3.17Å; I33-I53 HydrophobicContact CD1-CD1 3.99Å; I33-I53 HydrophobicContact CG1-CD1 3.74Å |
| 34 | G | 85.8 | Confident | 86.9 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | trans | 76.9 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G30 S31 K36 G37 | G30-G34 PolarHBondContact O-N 3.49Å; S31-G34 PolarHBondContact O-N 3.25Å; S31-G34 VanDerWaalsContact O-N 3.1Å; G34-K36 PolarHBondContact O-N 3.25Å; G34-G37 PolarHBondContact O-N 3.45Å | ||
| 35 | K | 87.4 | Confident | 87.1 | Confident | 200 Ų | 200 | 74.1 Ų | 74.1 | 87% | 0.87 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -57.8 | 122.8 | 179 | -65.6 | 175.9 | -177.9 | 173.1 | 0 | 109.4 | G37 E38 | K35-G37 PolarHBondContact O-N 2.98Å; K35-E38 PolarHBondContact O-N 3.34Å |
| 36 | K | 85.4 | Confident | 87.4 | Confident | 222 Ų | 222 | 75.5 Ų | 75.5 | 97% | 0.965 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | 59.2 | 17.1 | -174.7 | -55.9 | -178.8 | 177.1 | 179.6 | 0 | 116 | G34 E38 | G34-K36 PolarHBondContact O-N 3.25Å; K36-E38 VanDerWaalsContact C-N 3.31Å; K36-E38 PolarHBondContact O-N 2.95Å |
| 37 | G | 86.9 | Confident | 87.7 | Confident | 18 Ų | 18 | 74 Ų | 74 | 19% | 0.186 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | 76 | 14 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | I33 G34 K35 V40 K41 | I33-G37 CarbonylContact O-C 3.52Å; I33-G37 VanDerWaalsContact O-C 3.31Å; I33-G37 VanDerWaalsContact O-CA 3.22Å; I33-G37 WeakPolarHBondContact O-CA 3.06Å; G34-G37 PolarHBondContact O-N 3.45Å; K35-G37 PolarHBondContact O-N 2.98Å; G37-V40 VanDerWaalsContact O-CG1 3.28Å; G37-V40 WeakPolarHBondContact O-CG1 3.49Å; G37-K41 WeakPolarHBondContact O-CB 3.26Å; G37-K41 PolarHBondContact O-N 3.34Å |
| 38 | E | 89.4 | Confident | 87.9 | Confident | 114 Ų | 114 | 72.4 Ų | 72.4 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | -179.1 | -165 | -167.7 | 131.4 | 0 | 0 | 112.1 | K35 K36 K41 R42 | K35-E38 PolarHBondContact O-N 3.34Å; K36-E38 VanDerWaalsContact C-N 3.31Å; K36-E38 PolarHBondContact O-N 2.95Å; E38-K41 PolarHBondContact O-N 2.93Å; E38-R42 WeakPolarHBondContact O-CB 3.28Å; E38-R42 PolarHBondContact O-N 3Å; E38-R42 IonicContact OE1-CZ 2.68Å; E38-R42 IonicContact OE1-NH2 3.55Å; E38-R42 PolarHBondContact OE1-NH2 3.47Å |
| 39 | T | 89.3 | Confident | 88.1 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -48.8 | -178.9 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | I32 I33 K41 R42 I43 K82 | I32-T39 WeakPolarHBondContact O-CB 3.48Å; I32-T39 WeakPolarHBondContact O-CG2 3.16Å; I33-T39 WeakPolarHBondContact O-CB 3.26Å; I33-T39 PolarHBondContact O-N 2.73Å; T39-K41 VanDerWaalsContact C-N 3.3Å; T39-K41 PolarHBondContact O-N 3.21Å; T39-R42 WeakPolarHBondContact O-CB 3.29Å; T39-R42 PolarHBondContact O-N 3.22Å; T39-R42 VanDerWaalsContact O-N 3.11Å; T39-I43 HydrophobicContact CG2-CD1 3.9Å; T39-I43 HydrophobicContact CG2-CG1 4.44Å; T39-I43 VanDerWaalsContact O-CG1 3.31Å; T39-I43 WeakPolarHBondContact O-CG1 3.36Å; T39-I43 PolarHBondContact O-N 2.89Å; T39-K82 HydrophobicContact CG2-CD 4.27Å; T39-K82 HydrophobicContact CG2-CG 4.35Å |
| 40 | V | 89.6 | Confident | 88.2 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 174.7 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | I32 I33 G37 R42 I43 R44 | I32-V40 PolarHBondContact O-N 2.82Å; I33-V40 HydrophobicContact CB-CG1 4.41Å; I33-V40 HydrophobicContact CG2-CG1 4.15Å; I33-V40 PolarHBondContact O-N 2.72Å; I33-V40 VanDerWaalsContact O-N 3.17Å; G37-V40 VanDerWaalsContact O-CG1 3.28Å; G37-V40 WeakPolarHBondContact O-CG1 3.49Å; V40-R42 VanDerWaalsContact C-N 3.34Å; V40-I43 PolarHBondContact O-N 2.83Å; V40-R44 WeakPolarHBondContact O-CG 3.4Å; V40-R44 PolarHBondContact O-N 3.06Å |
| 41 | K | 90.1 | Very high | 88.4 | Confident | 108 Ų | 108 | 80.3 Ų | 80.3 | 47% | 0.47 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 172.2 | 176.7 | 175.2 | 177.3 | -166.8 | 0 | 111.9 | G37 E38 T39 R44 E45 | G37-K41 WeakPolarHBondContact O-CB 3.26Å; G37-K41 PolarHBondContact O-N 3.34Å; E38-K41 PolarHBondContact O-N 2.93Å; T39-K41 VanDerWaalsContact C-N 3.3Å; T39-K41 PolarHBondContact O-N 3.21Å; K41-R44 VanDerWaalsContact O-CG 3.25Å; K41-R44 WeakPolarHBondContact O-CG 3.45Å; K41-E45 WeakPolarHBondContact O-CB 3.49Å; K41-E45 PolarHBondContact O-N 3.09Å |
| 42 | R | 90 | Very high | 88.5 | Confident | 134 Ų | 134 | 81.7 Ų | 81.7 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.9 | -45.3 | 176.2 | -165.5 | -175.1 | -59.6 | -165 | 1.1 | 111.5 | E38 T39 V40 R44 E45 Q46 | E38-R42 WeakPolarHBondContact O-CB 3.28Å; E38-R42 PolarHBondContact O-N 3Å; E38-R42 IonicContact OE1-CZ 2.68Å; E38-R42 IonicContact OE1-NH2 3.55Å; E38-R42 PolarHBondContact OE1-NH2 3.47Å; T39-R42 WeakPolarHBondContact O-CB 3.29Å; T39-R42 PolarHBondContact O-N 3.22Å; T39-R42 VanDerWaalsContact O-N 3.11Å; V40-R42 VanDerWaalsContact C-N 3.34Å; R42-R44 PolarHBondContact O-N 3.27Å; R42-E45 PolarHBondContact O-N 3.12Å; R42-Q46 HydrophobicContact CG-CG 4.34Å; R42-Q46 WeakPolarHBondContact O-CG 3.4Å; R42-Q46 PolarHBondContact O-N 3.12Å |
| 43 | I | 91 | Very high | 88.5 | Confident | 3 Ų | 3 | 83.6 Ų | 83.6 | 2% | 0.015 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | -179.8 | -64.5 | 167.5 | 0 | 0 | 0 | 110.7 | I32 T39 V40 E45 Q46 S47 I51 M78 I79 | I32-I43 HydrophobicContact CG2-CD1 4Å; T39-I43 HydrophobicContact CG2-CD1 3.9Å; T39-I43 HydrophobicContact CG2-CG1 4.44Å; T39-I43 VanDerWaalsContact O-CG1 3.31Å; T39-I43 WeakPolarHBondContact O-CG1 3.36Å; T39-I43 PolarHBondContact O-N 2.89Å; V40-I43 PolarHBondContact O-N 2.83Å; I43-E45 PolarHBondContact O-N 2.79Å; I43-Q46 PolarHBondContact O-N 2.78Å; I43-S47 VanDerWaalsContact O-CB 3.25Å; I43-S47 WeakPolarHBondContact O-CB 3.33Å; I43-S47 PolarHBondContact O-N 3.28Å; I43-S47 PolarHBondContact O-OG 2.86Å; I43-I51 HydrophobicContact CB-CD1 4.42Å; I43-I51 HydrophobicContact CG2-CD1 3.7Å; I43-M78 HydrophobicContact CG1-CB 4.34Å; I43-M78 HydrophobicContact CG1-CE 4.42Å; I43-M78 HydrophobicContact CG2-CB 4.25Å; I43-I79 HydrophobicContact CD1-CG1 4.37Å; I43-I79 HydrophobicContact CG2-CG1 4.4Å |
| 44 | R | 88 | Confident | 88 | Confident | 133 Ų | 133 | 82.5 Ų | 82.5 | 50% | 0.502 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.8 | -29.8 | 178.5 | 73.1 | -174.5 | -171 | -173.2 | 8.2 | 113.4 | V40 K41 R42 S48 I51 | V40-R44 WeakPolarHBondContact O-CG 3.4Å; V40-R44 PolarHBondContact O-N 3.06Å; K41-R44 VanDerWaalsContact O-CG 3.25Å; K41-R44 WeakPolarHBondContact O-CG 3.45Å; R42-R44 PolarHBondContact O-N 3.27Å; R44-S48 WeakPolarHBondContact O-CA 3.26Å; R44-S48 PolarHBondContact O-N 3.14Å; R44-S48 VanDerWaalsContact O-N 3.16Å; R44-I51 HydrophobicContact CB-CD1 4.14Å |
| 45 | E | 90.7 | Very high | 87.2 | Confident | 133 Ų | 133 | 89.6 Ų | 89.6 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -78.9 | -47.9 | -179.3 | -170.5 | 165.7 | 82.6 | 0 | 0 | 110.7 | K41 R42 I43 S48 | K41-E45 WeakPolarHBondContact O-CB 3.49Å; K41-E45 PolarHBondContact O-N 3.09Å; R42-E45 PolarHBondContact O-N 3.12Å; I43-E45 PolarHBondContact O-N 2.79Å; E45-S48 PolarHBondContact O-N 3.43Å |
| 46 | Q | 90.2 | Very high | 85.7 | Confident | 108 Ų | 108 | 80.5 Ų | 80.5 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 176.8 | -67.2 | -172.9 | -80.1 | 0 | 0 | 113.3 | R42 I43 | R42-Q46 HydrophobicContact CG-CG 4.34Å; R42-Q46 WeakPolarHBondContact O-CG 3.4Å; R42-Q46 PolarHBondContact O-N 3.12Å; I43-Q46 PolarHBondContact O-N 2.78Å |
| 47 | S | 88 | Confident | 84.4 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -84.1 | -14 | 179.1 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | I43 A49 A71 | I43-S47 VanDerWaalsContact O-CB 3.25Å; I43-S47 WeakPolarHBondContact O-CB 3.33Å; I43-S47 PolarHBondContact O-N 3.28Å; I43-S47 PolarHBondContact O-OG 2.86Å; S47-A49 PolarHBondContact O-N 3.16Å; S47-A71 WeakPolarHBondContact O-CA 3.24Å; S47-A71 WeakPolarHBondContact O-CB 3.47Å |
| 48 | S | 87.8 | Confident | 82.9 | Confident | 101 Ų | 101 | 78 Ų | 78 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | trans | 52 | 20 | -171.7 | -61.6 | 0 | 0 | 0 | 0 | 114.6 | R44 E45 | R44-S48 WeakPolarHBondContact O-CA 3.26Å; R44-S48 PolarHBondContact O-N 3.14Å; R44-S48 VanDerWaalsContact O-N 3.16Å; E45-S48 PolarHBondContact O-N 3.43Å | ||
| 49 | A | 87 | Confident | 82.1 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 5% | 0.05 | 39% | 0.393 | C | S | . | . | trans | -100.2 | 145 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S47 I51 I65 A71 A75 | S47-A49 PolarHBondContact O-N 3.16Å; A49-I51 PolarHBondContact O-N 3.1Å; A49-I65 HydrophobicContact CB-CG2 3.81Å; A49-A71 HydrophobicContact CB-CB 4.14Å; A49-A75 HydrophobicContact CB-CB 4.23Å | ||
| 50 | R | 87.7 | Confident | 81.6 | Confident | 186 Ų | 186 | 78.4 Ų | 78.4 | 70% | 0.702 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 98.9 | 174.7 | -172.1 | -178.4 | -178.6 | -158.7 | -0 | 110.1 | T66 | R50-T66 WeakPolarHBondContact CA-O 3.48Å; R50-T66 WeakPolarHBondContact CB-O 3.31Å; R50-T66 PolarHBondContact N-O 3.18Å; R50-T66 PolarHBondContact O-N 3.41Å |
| 51 | I | 90.3 | Very high | 81.3 | Confident | 34 Ų | 34 | 80.6 Ų | 80.6 | 17% | 0.174 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.4 | 178 | -54.3 | 170.7 | 0 | 0 | 0 | 109.4 | I43 R44 A49 T63 T64 I65 | I43-I51 HydrophobicContact CB-CD1 4.42Å; I43-I51 HydrophobicContact CG2-CD1 3.7Å; R44-I51 HydrophobicContact CB-CD1 4.14Å; A49-I51 PolarHBondContact O-N 3.1Å; I51-T63 HydrophobicContact CG2-CG2 3.75Å; I51-T64 WeakPolarHBondContact CA-O 3.45Å; I51-I65 HydrophobicContact CG1-CG1 4.42Å; I51-I65 HydrophobicContact CG1-CG2 4.3Å |
| 52 | T | 87.3 | Confident | 81.2 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.3 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | T64 | T52-T64 PolarHBondContact N-O 3.5Å; T52-T64 PolarHBondContact O-N 3.41Å |
| 53 | I | 87.8 | Confident | 81.1 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.8 | 176.8 | -57.9 | 169.4 | 0 | 0 | 0 | 107.8 | V29 I33 E55 T63 | V29-I53 HydrophobicContact CG2-CD1 4.27Å; V29-I53 HydrophobicContact CG2-CG2 4.18Å; I33-I53 HydrophobicContact CD1-CD1 3.99Å; I33-I53 HydrophobicContact CG1-CD1 3.74Å; I53-E55 PolarHBondContact O-N 3.22Å; I53-T63 HydrophobicContact CG1-CG2 4.35Å |
| 54 | S | 77.5 | Confident | 81 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 21% | 0.21 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 121.7 | 172 | -61.4 | 0 | 0 | 0 | 0 | 109.6 | I62 | S54-I62 PolarHBondContact N-O 3.15Š|
| 55 | E | 69.8 | Low | 81.1 | Confident | 167 Ų | 167 | 64.1 Ų | 64.1 | 78% | 0.78 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 126.1 | 166.7 | -160.3 | -167.6 | 135.3 | 0 | 0 | 109.3 | I53 | I53-E55 PolarHBondContact O-N 3.22Š|
| 56 | G | 56.9 | Low | 81 | Confident | 8 Ų | 8 | 60 Ų | 60 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | trans | -144.4 | 150.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | C58 | G56-C58 PolarHBondContact O-N 2.91Š| ||
| 57 | S | 57 | Low | 81 | Confident | 135 Ų | 135 | 55.5 Ų | 55.5 | 94% | 0.944 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -71.5 | -4.5 | 174.3 | -162 | 0 | 0 | 0 | 0 | 112.6 | ||
| 58 | C | 55.5 | Low | 81.1 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -75.4 | 154.3 | -179.6 | -46.5 | 0 | 0 | 0 | 0 | 112.5 | G56 E60 | G56-C58 PolarHBondContact O-N 2.91Å; C58-E60 PolarHBondContact O-N 3.04Å |
| 59 | P | 73.6 | Confident | 80.9 | Confident | 84 Ų | 84 | 55 Ų | 55 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -68.4 | -15.3 | 171.8 | 29.2 | -35.7 | 0 | 0 | 0 | 113.4 | H25 G26 | H25-P59 CarbonylContact C-O 3.57Å; H25-P59 WeakPolarHBondContact CA-O 3.36Å; G26-P59 PolarHBondContact N-O 3.05Å |
| 60 | E | 78.2 | Confident | 80.9 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 34% | 0.341 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 135.5 | 173.7 | -61.4 | 179.8 | 126.4 | 0 | 0 | 110.4 | L23 C58 R105 | L23-E60 HydrophobicContact CD1-CB 4.03Å; L23-E60 HydrophobicContact CG-CB 4.38Å; C58-E60 PolarHBondContact O-N 3.04Å; E60-R105 IonicContact OE1-CZ 2.91Å; E60-R105 IonicContact OE1-NH1 3.5Å; E60-R105 PolarHBondContact OE1-NH1 3.28Å; E60-R105 IonicContact OE1-NH2 3.51Å |
| 61 | R | 84.1 | Confident | 81 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153 | 176.1 | -59.8 | -164 | -179.9 | -126.1 | -7.6 | 110.4 | L23 M24 V29 | L23-R61 WeakPolarHBondContact CA-O 3.49Å; M24-R61 PolarHBondContact N-O 3.23Å; M24-R61 PolarHBondContact O-N 2.96Å; V29-R61 HydrophobicContact CG1-CB 4.33Å; V29-R61 HydrophobicContact CG1-CG 4.27Å |
| 62 | I | 86.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.7 | 178.1 | -60.1 | 174.3 | 0 | 0 | 0 | 109.3 | R21 M22 L23 S54 Y182 | R21-I62 HydrophobicContact CB-CG2 4.27Å; M22-I62 CarbonylContact O-C 3.5Å; M22-I62 WeakPolarHBondContact O-CA 3.16Å; L23-I62 HydrophobicContact CD1-CD1 4.45Å; L23-I62 HydrophobicContact CD1-CG1 3.74Å; S54-I62 PolarHBondContact N-O 3.15Å; I62-Y182 HydrophobicContact CD1-CD1 3.46Å; I62-Y182 VanDerWaalsContact CD1-CD1 3.46Å; I62-Y182 HydrophobicContact CD1-CE1 3.97Å; I62-Y182 HydrophobicContact CD1-CG 4.42Å |
| 63 | T | 88.4 | Confident | 80.8 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.7 | 169.7 | -56.8 | 0 | 0 | 0 | 0 | 108 | M22 I51 I53 I65 | M22-T63 PolarHBondContact N-O 3.15Å; M22-T63 PolarHBondContact O-N 3.49Å; I51-T63 HydrophobicContact CG2-CG2 3.75Å; I53-T63 HydrophobicContact CG1-CG2 4.35Å; T63-I65 HydrophobicContact CG2-CG1 4.11Å |
| 64 | T | 88.8 | Confident | 80.9 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.2 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 108.7 | T19 L20 R21 I51 T52 | T19-T64 HydrophobicContact CG2-CG2 3.59Å; L20-T64 CarbonylContact O-C 3.51Å; L20-T64 WeakPolarHBondContact O-CA 3.45Å; R21-T64 HydrophobicContact CG-CG2 4.07Å; I51-T64 WeakPolarHBondContact CA-O 3.45Å; T52-T64 PolarHBondContact N-O 3.5Å; T52-T64 PolarHBondContact O-N 3.41Å |
| 65 | I | 91.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 115 | -178.8 | -51.4 | 175.4 | 0 | 0 | 0 | 107.3 | T19 L20 M22 A49 I51 T63 V72 A75 V76 I79 | T19-I65 CarbonylContact C-O 3.43Å; T19-I65 WeakPolarHBondContact CA-O 3.25Å; L20-I65 PolarHBondContact N-O 3.28Å; L20-I65 PolarHBondContact O-N 3.5Å; M22-I65 HydrophobicContact SD-CD1 3.82Å; A49-I65 HydrophobicContact CB-CG2 3.81Å; I51-I65 HydrophobicContact CG1-CG1 4.42Å; I51-I65 HydrophobicContact CG1-CG2 4.3Å; T63-I65 HydrophobicContact CG2-CG1 4.11Å; I65-V72 HydrophobicContact CG2-CG1 4.48Å; I65-V72 HydrophobicContact CG2-CG2 4.22Å; I65-A75 HydrophobicContact CD1-CB 4.23Å; I65-A75 HydrophobicContact CG2-CB 3.88Å; I65-V76 HydrophobicContact CD1-CG2 4.43Å; I65-I79 HydrophobicContact CD1-CD1 3.64Å |
| 66 | T | 88.3 | Confident | 82.3 | Confident | 46 Ų | 46 | 40 Ų | 40 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | L18 T19 R50 | L18-T66 VanDerWaalsContact O-CA 3.27Å; L18-T66 WeakPolarHBondContact O-CA 3.48Å; T19-T66 WeakPolarHBondContact CG2-OG1 3.34Å; T19-T66 WeakPolarHBondContact OG1-CG2 3.35Å; T19-T66 PolarHBondContact OG1-OG1 3.36Å; R50-T66 WeakPolarHBondContact CA-O 3.48Å; R50-T66 WeakPolarHBondContact CB-O 3.31Å; R50-T66 PolarHBondContact N-O 3.18Å; R50-T66 PolarHBondContact O-N 3.41Å |
| 67 | G | 90.1 | Very high | 83.8 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179 | -173.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T17 L18 | T17-G67 WeakPolarHBondContact CA-O 3.4Å; L18-G67 PolarHBondContact N-O 3.22Å; L18-G67 PolarHBondContact O-N 3.34Å |
| 68 | S | 89.9 | Confident | 85.2 | Confident | 54 Ų | 54 | 37.3 Ų | 37.3 | 38% | 0.378 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 158.2 | 168.8 | -40.7 | 0 | 0 | 0 | 0 | 111.3 | A70 A71 V72 | S68-A70 VanDerWaalsContact C-N 3.35Å; S68-A70 PolarHBondContact O-N 3.24Å; S68-A71 WeakPolarHBondContact O-CB 3.39Å; S68-A71 PolarHBondContact O-N 3.07Å; S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 3.15Å |
| 69 | T | 84.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 34.9 Ų | 34.9 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -50.8 | -49.1 | 176.1 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | I16 L18 A71 V72 F73 | I16-T69 PolarHBondContact O-N 3.22Å; L18-T69 HydrophobicContact CD1-CG2 4.42Å; T69-A71 PolarHBondContact O-N 3.03Å; T69-V72 PolarHBondContact O-N 3.27Å; T69-F73 WeakPolarHBondContact O-CB 3.46Å; T69-F73 PolarHBondContact O-N 3.41Å |
| 70 | A | 85.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 30.9 Ų | 30.9 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.7 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E13 S68 V72 F73 H74 | E13-A70 WeakPolarHBondContact OE1-CB 3.4Å; E13-A70 WeakPolarHBondContact OE2-CB 3.25Å; S68-A70 VanDerWaalsContact C-N 3.35Å; S68-A70 PolarHBondContact O-N 3.24Å; A70-V72 PolarHBondContact O-N 3.4Å; A70-F73 WeakPolarHBondContact O-CB 3.41Å; A70-F73 PolarHBondContact O-N 2.97Å; A70-H74 PolarHBondContact O-N 3.36Å |
| 71 | A | 89.7 | Confident | 87.8 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S47 A49 S68 T69 A75 | S47-A71 WeakPolarHBondContact O-CA 3.24Å; S47-A71 WeakPolarHBondContact O-CB 3.47Å; A49-A71 HydrophobicContact CB-CB 4.14Å; S68-A71 WeakPolarHBondContact O-CB 3.39Å; S68-A71 PolarHBondContact O-N 3.07Å; T69-A71 PolarHBondContact O-N 3.03Å; A71-A75 WeakPolarHBondContact O-CB 3.4Å; A71-A75 PolarHBondContact O-N 3.47Å |
| 72 | V | 88.4 | Confident | 87.9 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | L18 L20 I65 S68 T69 A70 A75 V76 | L18-V72 HydrophobicContact CB-CG2 4.27Å; L20-V72 HydrophobicContact CB-CG1 3.93Å; L20-V72 HydrophobicContact CD2-CG1 4.08Å; I65-V72 HydrophobicContact CG2-CG1 4.48Å; I65-V72 HydrophobicContact CG2-CG2 4.22Å; S68-V72 WeakPolarHBondContact O-CG2 3.43Å; S68-V72 PolarHBondContact O-N 3.15Å; T69-V72 PolarHBondContact O-N 3.27Å; A70-V72 PolarHBondContact O-N 3.4Å; V72-A75 PolarHBondContact O-N 2.83Å; V72-V76 HydrophobicContact CG1-CG2 4.38Å; V72-V76 VanDerWaalsContact O-CG2 3.31Å; V72-V76 WeakPolarHBondContact O-CG2 3.39Å; V72-V76 PolarHBondContact O-N 3.34Å |
| 73 | F | 85.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 31.7 Ų | 31.7 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 176.3 | 179.5 | -101.2 | 0 | 0 | 0 | 112.3 | T69 A70 V76 S77 I160 R164 | T69-F73 WeakPolarHBondContact O-CB 3.46Å; T69-F73 PolarHBondContact O-N 3.41Å; A70-F73 WeakPolarHBondContact O-CB 3.41Å; A70-F73 PolarHBondContact O-N 2.97Å; F73-V76 PolarHBondContact O-N 3.41Å; F73-S77 PolarHBondContact O-N 3.4Å; F73-I160 HydrophobicContact CD2-CG2 4.41Å; F73-I160 HydrophobicContact CE2-CG2 3.39Å; F73-I160 HydrophobicContact CZ-CG2 3.54Å; F73-R164 HydrophobicContact CD2-CG 4.46Å; F73-R164 HydrophobicContact CE2-CB 4.33Å; F73-R164 HydrophobicContact CE2-CG 4.38Å |
| 74 | H | 89.1 | Confident | 87.5 | Confident | 113 Ų | 113 | 34.5 Ų | 34.5 | 52% | 0.523 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -43 | 173.7 | -101.3 | 15.2 | 0 | 0 | 0 | 112.6 | A70 V76 S77 M78 | A70-H74 PolarHBondContact O-N 3.36Å; H74-V76 PolarHBondContact O-N 3.04Å; H74-S77 PolarHBondContact O-N 2.84Å; H74-M78 WeakPolarHBondContact O-CB 3.49Å; H74-M78 VanDerWaalsContact O-CG 3.31Å; H74-M78 WeakPolarHBondContact O-CG 3.28Å; H74-M78 PolarHBondContact O-N 2.85Å; H74-M78 VanDerWaalsContact O-N 3.08Å |
| 75 | A | 90.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A49 I65 A71 V72 M78 I79 | A49-A75 HydrophobicContact CB-CB 4.23Å; I65-A75 HydrophobicContact CD1-CB 4.23Å; I65-A75 HydrophobicContact CG2-CB 3.88Å; A71-A75 WeakPolarHBondContact O-CB 3.4Å; A71-A75 PolarHBondContact O-N 3.47Å; V72-A75 PolarHBondContact O-N 2.83Å; A75-M78 PolarHBondContact O-N 3.49Å; A75-I79 WeakPolarHBondContact O-CB 3.49Å; A75-I79 WeakPolarHBondContact O-CD1 3.1Å; A75-I79 WeakPolarHBondContact O-CG1 3.48Å; A75-I79 PolarHBondContact O-N 3.03Å |
| 76 | V | 87.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 179.9 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | L20 M22 I65 V72 F73 H74 I79 A80 V163 | L20-V76 HydrophobicContact CD2-CG2 3.49Å; L20-V76 VanDerWaalsContact CD2-CG2 3.49Å; M22-V76 HydrophobicContact SD-CG2 4.39Å; I65-V76 HydrophobicContact CD1-CG2 4.43Å; V72-V76 HydrophobicContact CG1-CG2 4.38Å; V72-V76 VanDerWaalsContact O-CG2 3.31Å; V72-V76 WeakPolarHBondContact O-CG2 3.39Å; V72-V76 PolarHBondContact O-N 3.34Å; F73-V76 PolarHBondContact O-N 3.41Å; H74-V76 PolarHBondContact O-N 3.04Å; V76-I79 PolarHBondContact O-N 2.98Å; V76-A80 WeakPolarHBondContact O-CB 3.28Å; V76-A80 PolarHBondContact O-N 3.18Å; V76-V163 HydrophobicContact CG1-CB 4.1Å; V76-V163 HydrophobicContact CG1-CG1 3.98Å; V76-V163 HydrophobicContact CG1-CG2 4.09Å; V76-V163 HydrophobicContact CG2-CG1 4.22Å |
| 77 | S | 87.1 | Confident | 86.1 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -50.7 | 177.3 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | F73 H74 I79 A80 F81 | F73-S77 PolarHBondContact O-N 3.4Å; H74-S77 PolarHBondContact O-N 2.84Å; S77-I79 VanDerWaalsContact C-N 3.29Å; S77-I79 PolarHBondContact O-N 3.09Å; S77-A80 PolarHBondContact O-N 3.24Å; S77-A80 VanDerWaalsContact O-N 3.16Å; S77-F81 VanDerWaalsContact O-CD2 3.31Å; S77-F81 WeakPolarHBondContact O-CD2 3.3Å; S77-F81 PolarHBondContact O-N 3.01Å |
| 78 | M | 87.7 | Confident | 85 | Confident | 60 Ų | 60 | 46 Ų | 46 | 30% | 0.296 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.6 | -39.4 | 176.6 | -72.2 | -68.4 | -64.6 | 0 | 0 | 113 | I43 H74 A75 K82 | I43-M78 HydrophobicContact CG1-CB 4.34Å; I43-M78 HydrophobicContact CG1-CE 4.42Å; I43-M78 HydrophobicContact CG2-CB 4.25Å; H74-M78 WeakPolarHBondContact O-CB 3.49Å; H74-M78 VanDerWaalsContact O-CG 3.31Å; H74-M78 WeakPolarHBondContact O-CG 3.28Å; H74-M78 PolarHBondContact O-N 2.85Å; H74-M78 VanDerWaalsContact O-N 3.08Å; A75-M78 PolarHBondContact O-N 3.49Å; M78-K82 WeakPolarHBondContact O-CB 3.41Å; M78-K82 PolarHBondContact O-N 2.84Å; M78-K82 VanDerWaalsContact O-N 3.07Å |
| 79 | I | 89.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.8 | -42.5 | 177.3 | -71.2 | 165.9 | 0 | 0 | 0 | 111.3 | M22 M24 I32 I43 I65 A75 V76 S77 K82 L83 | M22-I79 HydrophobicContact CE-CG2 4.38Å; M24-I79 HydrophobicContact CE-CG2 3.51Å; I32-I79 HydrophobicContact CD1-CG2 4.29Å; I32-I79 HydrophobicContact CG2-CG1 4.22Å; I43-I79 HydrophobicContact CD1-CG1 4.37Å; I43-I79 HydrophobicContact CG2-CG1 4.4Å; I65-I79 HydrophobicContact CD1-CD1 3.64Å; A75-I79 WeakPolarHBondContact O-CB 3.49Å; A75-I79 WeakPolarHBondContact O-CD1 3.1Å; A75-I79 WeakPolarHBondContact O-CG1 3.48Å; A75-I79 PolarHBondContact O-N 3.03Å; V76-I79 PolarHBondContact O-N 2.98Å; S77-I79 VanDerWaalsContact C-N 3.29Å; S77-I79 PolarHBondContact O-N 3.09Å; I79-K82 PolarHBondContact O-N 2.81Å; I79-L83 WeakPolarHBondContact O-CB 3.17Å; I79-L83 PolarHBondContact O-N 3.44Å |
| 80 | A | 85.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V76 S77 L83 D84 L104 | V76-A80 WeakPolarHBondContact O-CB 3.28Å; V76-A80 PolarHBondContact O-N 3.18Å; S77-A80 PolarHBondContact O-N 3.24Å; S77-A80 VanDerWaalsContact O-N 3.16Å; A80-L83 PolarHBondContact O-N 3.05Å; A80-D84 PolarHBondContact O-N 3.25Å; A80-L104 HydrophobicContact CB-CD1 4.37Å |
| 81 | F | 85.9 | Confident | 81.1 | Confident | 110 Ų | 110 | 52 Ų | 52 | 48% | 0.482 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 173.9 | -81.2 | -69.2 | 0 | 0 | 0 | 112.6 | S77 L83 D84 E85 I160 | S77-F81 VanDerWaalsContact O-CD2 3.31Å; S77-F81 WeakPolarHBondContact O-CD2 3.3Å; S77-F81 PolarHBondContact O-N 3.01Å; F81-L83 VanDerWaalsContact C-N 3.31Å; F81-L83 PolarHBondContact O-N 3.32Å; F81-D84 PolarHBondContact O-N 3.45Å; F81-E85 WeakPolarHBondContact O-CB 3.38Å; F81-E85 PolarHBondContact O-N 3.43Å; F81-I160 HydrophobicContact CE2-CD1 3.94Å |
| 82 | K | 86.3 | Confident | 79.3 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -31.1 | 176.6 | -87.4 | -71 | 171 | -144.6 | 0 | 113.5 | I32 T39 M78 I79 E85 D86 | I32-K82 HydrophobicContact CD1-CB 3.64Å; T39-K82 HydrophobicContact CG2-CD 4.27Å; T39-K82 HydrophobicContact CG2-CG 4.35Å; M78-K82 WeakPolarHBondContact O-CB 3.41Å; M78-K82 PolarHBondContact O-N 2.84Å; M78-K82 VanDerWaalsContact O-N 3.07Å; I79-K82 PolarHBondContact O-N 2.81Å; K82-E85 IonicContact NZ-OE1 2.67Å; K82-E85 PolarHBondContact NZ-OE1 2.67Å; K82-E85 IonicContact NZ-OE2 3.82Å; K82-E85 PolarHBondContact NZ-OE2 3Å; K82-D86 WeakPolarHBondContact O-CB 3.42Å; K82-D86 PolarHBondContact O-N 2.96Å |
| 83 | L | 83.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -73 | -38.5 | 175.2 | -172.3 | 61.7 | 0 | 0 | 0 | 112.1 | E28 I79 A80 F81 D86 L87 V102 L104 | E28-L83 HydrophobicContact CB-CD1 3.76Å; E28-L83 HydrophobicContact CG-CD1 3.62Å; I79-L83 WeakPolarHBondContact O-CB 3.17Å; I79-L83 PolarHBondContact O-N 3.44Å; A80-L83 PolarHBondContact O-N 3.05Å; F81-L83 VanDerWaalsContact C-N 3.31Å; F81-L83 PolarHBondContact O-N 3.32Å; L83-D86 PolarHBondContact O-N 3.01Å; L83-L87 HydrophobicContact CG-CD1 4.2Å; L83-L87 WeakPolarHBondContact O-CB 3.37Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.24Å; L83-L87 PolarHBondContact O-N 2.98Å; L83-V102 HydrophobicContact CB-CG1 4.2Å; L83-V102 HydrophobicContact CD2-CG1 3.7Å; L83-V102 HydrophobicContact CG-CG1 3.93Å; L83-L104 HydrophobicContact CD2-CD2 3.4Å; L83-L104 HydrophobicContact CD2-CG 4.45Å |
| 84 | D | 83.3 | Confident | 75.9 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 171 | -167.8 | -102.3 | 0 | 0 | 0 | 111.3 | A80 F81 D86 L87 C88 V102 | A80-D84 PolarHBondContact O-N 3.25Å; F81-D84 PolarHBondContact O-N 3.45Å; D84-D86 PolarHBondContact O-N 2.89Å; D84-L87 PolarHBondContact O-N 3.36Å; D84-C88 VanDerWaalsContact O-CB 3.3Å; D84-C88 WeakPolarHBondContact O-CB 3.19Å; D84-C88 PolarHBondContact O-N 3.38Å; D84-V102 HydrophobicContact CB-CG2 3.69Å; D84-V102 WeakPolarHBondContact OD2-CG2 3.35Å |
| 85 | E | 82.9 | Confident | 73.6 | Confident | 111 Ų | 111 | 62.8 Ų | 62.8 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 177 | -164.9 | -171.4 | 123 | 0 | 0 | 112.1 | F81 K82 C88 A89 | F81-E85 WeakPolarHBondContact O-CB 3.38Å; F81-E85 PolarHBondContact O-N 3.43Å; K82-E85 IonicContact NZ-OE1 2.67Å; K82-E85 PolarHBondContact NZ-OE1 2.67Å; K82-E85 IonicContact NZ-OE2 3.82Å; K82-E85 PolarHBondContact NZ-OE2 3Å; E85-C88 PolarHBondContact O-N 3.4Å; E85-A89 WeakPolarHBondContact O-CB 3.08Å; E85-A89 PolarHBondContact O-N 2.97Å |
| 86 | D | 80.4 | Confident | 71.8 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 176.7 | -168.2 | -115.4 | 0 | 0 | 0 | 112.4 | S31 K82 L83 D84 C88 A89 A90 | S31-D86 WeakPolarHBondContact CB-OD2 3.34Å; S31-D86 VanDerWaalsContact OG-CG 3.27Å; S31-D86 PolarHBondContact OG-OD2 2.85Å; K82-D86 WeakPolarHBondContact O-CB 3.42Å; K82-D86 PolarHBondContact O-N 2.96Å; L83-D86 PolarHBondContact O-N 3.01Å; D84-D86 PolarHBondContact O-N 2.89Å; D86-C88 VanDerWaalsContact C-N 3.28Å; D86-C88 PolarHBondContact O-N 3.42Å; D86-A89 PolarHBondContact O-N 3.29Å; D86-A90 PolarHBondContact O-N 3.24Å |
| 87 | L | 74.4 | Confident | 69.8 | Low | 59 Ų | 59 | 77.3 Ų | 77.3 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -33.1 | 175.4 | -73.6 | 167.3 | 0 | 0 | 0 | 112.3 | L83 D84 V102 | L83-L87 HydrophobicContact CG-CD1 4.2Å; L83-L87 WeakPolarHBondContact O-CB 3.37Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.24Å; L83-L87 PolarHBondContact O-N 2.98Å; D84-L87 PolarHBondContact O-N 3.36Å; L87-V102 HydrophobicContact CD1-CB 4.39Å; L87-V102 HydrophobicContact CD1-CG1 4.4Å; L87-V102 HydrophobicContact CD1-CG2 4.19Å |
| 88 | C | 67.9 | Low | 68.2 | Low | 107 Ų | 107 | 81.4 Ų | 81.4 | 72% | 0.723 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -81.4 | -26.6 | 175.7 | -167.6 | 0 | 0 | 0 | 0 | 113.2 | D84 E85 D86 | D84-C88 VanDerWaalsContact O-CB 3.3Å; D84-C88 WeakPolarHBondContact O-CB 3.19Å; D84-C88 PolarHBondContact O-N 3.38Å; E85-C88 PolarHBondContact O-N 3.4Å; D86-C88 VanDerWaalsContact C-N 3.28Å; D86-C88 PolarHBondContact O-N 3.42Å |
| 89 | A | 65.9 | Low | 66.9 | Low | 75 Ų | 75 | 89.5 Ų | 89.5 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -83 | -21.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E85 D86 P91 | E85-A89 WeakPolarHBondContact O-CB 3.08Å; E85-A89 PolarHBondContact O-N 2.97Å; D86-A89 PolarHBondContact O-N 3.29Å; A89-P91 WeakPolarHBondContact O-CD 3.49Å |
| 90 | A | 60.3 | Low | 65.6 | Low | 59 Ų | 59 | 93.6 Ų | 93.6 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -69.2 | 117.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D86 A92 | D86-A90 PolarHBondContact O-N 3.24Å; A90-A92 PolarHBondContact O-N 3.02Å; A90-A92 VanDerWaalsContact O-N 3.1Å |
| 91 | P | 52.3 | Low | 64.8 | Low | 127 Ų | 127 | 97.1 Ų | 97.1 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | trans | -74.9 | 107.8 | -174.5 | 29.1 | -34 | 0 | 0 | 0 | 111.5 | A89 N93 | A89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-N93 PolarHBondContact O-N 3.06Å | ||
| 92 | A | 50 | Low | 64.6 | Low | 97 Ų | 97 | 91.9 Ų | 91.9 | 80% | 0.802 | 57% | 0.57 | S | S | * | * | trans | -68.5 | 110.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A90 G94 | A90-A92 PolarHBondContact O-N 3.02Å; A90-A92 VanDerWaalsContact O-N 3.1Å; A92-G94 PolarHBondContact O-N 2.74Å; A92-G94 VanDerWaalsContact O-N 3.09Å | ||
| 93 | N | 51.6 | Low | 64.5 | Low | 169 Ų | 169 | 91.8 Ų | 91.8 | 90% | 0.904 | 57% | 0.574 | S | S | * | * | trans | -59.9 | 110.6 | 165.6 | -99.4 | -31.4 | 0 | 0 | 0 | 109.5 | P91 | P91-N93 PolarHBondContact O-N 3.06Š| ||
| 94 | G | 51.5 | Low | 64.6 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 83% | 0.825 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 63.1 | 94.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | A92 | A92-G94 PolarHBondContact O-N 2.74Å; A92-G94 VanDerWaalsContact O-N 3.09Å |
| 95 | G | 42.2 | Very low | 64.9 | Low | 64 Ų | 64 | 93 Ų | 93 | 66% | 0.66 | 57% | 0.574 | S | S | * | * | trans | 152.7 | 134.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V97 | G95-V97 PolarHBondContact O-N 2.85Š| ||
| 96 | N | 52.2 | Low | 65.2 | Low | 178 Ų | 178 | 87.7 Ų | 87.7 | 95% | 0.952 | 55% | 0.549 | S | S | * | . | trans | -62.8 | 95.7 | 167.1 | -83.3 | 30.5 | 0 | 0 | 0 | 109.9 | ||||
| 97 | V | 45.4 | Very low | 65.5 | Low | 130 Ų | 130 | 85.9 Ų | 85.9 | 79% | 0.788 | 54% | 0.54 | S | S | * | . | trans | -127.7 | 136.6 | 167.2 | -171.8 | 0 | 0 | 0 | 0 | 107.8 | G95 | G95-V97 PolarHBondContact O-N 2.85Š| ||
| 98 | S | 54.2 | Low | 66 | Low | 111 Ų | 111 | 83.2 Ų | 83.2 | 78% | 0.776 | 53% | 0.526 | S | S | * | . | trans | -52.8 | 143.2 | -177.5 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | P100 | S98-P100 VanDerWaalsContact O-N 3.15Š| ||
| 99 | R | 58.7 | Low | 66.7 | Low | 230 Ų | 230 | 79.3 Ų | 79.3 | 87% | 0.868 | 50% | 0.499 | S | S | * | . | trans | -43.4 | 119.6 | -177.2 | -69.8 | 178.9 | 175.8 | 129.3 | -2.9 | 110.3 | ||||
| 100 | P | 62.4 | Low | 67.2 | Low | 89 Ų | 89 | 77.7 Ų | 77.7 | 58% | 0.578 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 127.1 | 177.5 | 24.9 | -32.4 | 0 | 0 | 0 | 108.4 | S98 | S98-P100 VanDerWaalsContact O-N 3.15Š|
| 101 | P | 69 | Low | 68.1 | Low | 73 Ų | 73 | 78 Ų | 78 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 141.7 | -178.4 | 27 | -33.9 | 0 | 0 | 0 | 110.2 | T103 | P101-T103 PolarHBondContact O-N 3.09Š|
| 102 | V | 81.1 | Confident | 69.5 | Low | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 133.1 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | L83 D84 L87 S153 G154 I159 | L83-V102 HydrophobicContact CB-CG1 4.2Å; L83-V102 HydrophobicContact CD2-CG1 3.7Å; L83-V102 HydrophobicContact CG-CG1 3.93Å; D84-V102 HydrophobicContact CB-CG2 3.69Å; D84-V102 WeakPolarHBondContact OD2-CG2 3.35Å; L87-V102 HydrophobicContact CD1-CB 4.39Å; L87-V102 HydrophobicContact CD1-CG1 4.4Å; L87-V102 HydrophobicContact CD1-CG2 4.19Å; V102-S153 VanDerWaalsContact O-CA 3.26Å; V102-S153 WeakPolarHBondContact O-CA 3.4Å; V102-G154 PolarHBondContact N-O 3.26Å; V102-G154 VanDerWaalsContact N-O 3.16Å; V102-G154 PolarHBondContact O-N 2.87Å; V102-G154 VanDerWaalsContact O-N 3.14Å; V102-I159 HydrophobicContact CB-CD1 3.7Å; V102-I159 HydrophobicContact CG1-CD1 3.95Å; V102-I159 WeakPolarHBondContact O-CD1 3.27Å |
| 103 | T | 84.1 | Confident | 70.9 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 113.7 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | P101 V152 | P101-T103 PolarHBondContact O-N 3.09Å; T103-V152 CarbonylContact C-O 3.21Å; T103-V152 WeakPolarHBondContact CA-O 3.45Å |
| 104 | L | 87.4 | Confident | 72.5 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.2 | 169 | -66.2 | -175 | 0 | 0 | 0 | 110 | M22 M24 A80 L83 V152 I159 | M22-L104 HydrophobicContact CE-CB 4.39Å; M22-L104 HydrophobicContact CE-CD1 3.71Å; M22-L104 HydrophobicContact CE-CD2 3.9Å; M22-L104 HydrophobicContact CE-CG 4.23Å; M24-L104 HydrophobicContact CE-CD2 4.31Å; A80-L104 HydrophobicContact CB-CD1 4.37Å; L83-L104 HydrophobicContact CD2-CD2 3.4Å; L83-L104 HydrophobicContact CD2-CG 4.45Å; L104-V152 PolarHBondContact N-O 3.48Å; L104-V152 PolarHBondContact O-N 2.84Å; L104-I159 HydrophobicContact CB-CG2 4.43Å; L104-I159 HydrophobicContact CD1-CG2 3.41Å; L104-I159 VanDerWaalsContact CD1-CG2 3.41Å; L104-I159 HydrophobicContact CG-CG2 4.01Å |
| 105 | R | 88.6 | Confident | 74.1 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.3 | 170.6 | -67.9 | 174.6 | 70.9 | -156.3 | -3.7 | 108.9 | M22 L23 E60 V150 T151 | M22-R105 CarbonylContact C-O 3.58Å; M22-R105 WeakPolarHBondContact CA-O 3.31Å; L23-R105 HydrophobicContact CB-CB 4.02Å; L23-R105 VanDerWaalsContact CD2-CZ 3.42Å; L23-R105 PolarHBondContact N-O 3.04Å; L23-R105 WeakPolarHBondContact O-CB 3.39Å; E60-R105 IonicContact OE1-CZ 2.91Å; E60-R105 IonicContact OE1-NH1 3.5Å; E60-R105 PolarHBondContact OE1-NH1 3.28Å; E60-R105 IonicContact OE1-NH2 3.51Å; R105-V150 CarbonylContact C-O 3.57Å; R105-V150 WeakPolarHBondContact CA-O 3.18Å; R105-T151 HydrophobicContact CG-CG2 3.92Å |
| 106 | L | 89.1 | Confident | 76.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141.3 | 173.5 | -63 | 98.6 | 0 | 0 | 0 | 109.4 | L20 I108 A149 V150 V152 V163 | L20-L106 HydrophobicContact CD1-CD2 3.93Å; L20-L106 HydrophobicContact CD2-CD2 4.28Å; L20-L106 HydrophobicContact CG-CD2 4.35Å; L106-I108 HydrophobicContact CB-CD1 4.32Å; L106-I108 HydrophobicContact CB-CG1 4.3Å; L106-A149 CarbonylContact O-C 3.31Å; L106-A149 WeakPolarHBondContact O-CA 3.47Å; L106-V150 PolarHBondContact N-O 3.07Å; L106-V150 PolarHBondContact O-N 2.96Å; L106-V152 HydrophobicContact CD1-CB 4.43Å; L106-V152 HydrophobicContact CD1-CG2 3.65Å; L106-V163 HydrophobicContact CD1-CG2 4.41Å; L106-V163 HydrophobicContact CD2-CG1 4.36Å; L106-V163 HydrophobicContact CD2-CG2 4.13Å |
| 107 | V | 87.4 | Confident | 77.9 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.6 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | R21 L23 E147 | R21-V107 HydrophobicContact CB-CB 3.95Å; R21-V107 PolarHBondContact O-N 2.86Å; L23-V107 HydrophobicContact CB-CG2 3.66Å; L23-V107 HydrophobicContact CD1-CG2 4.39Å; V107-E147 HydrophobicContact CG1-CB 3.63Å; V107-E147 HydrophobicContact CG1-CG 4.25Å; V107-E147 WeakPolarHBondContact CG1-OE1 3.31Å |
| 108 | I | 85.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 128.9 | -174.6 | -57 | -178.1 | 0 | 0 | 0 | 108.6 | L106 Q112 L116 R148 V150 I166 I170 | L106-I108 HydrophobicContact CB-CD1 4.32Å; L106-I108 HydrophobicContact CB-CG1 4.3Å; I108-Q112 HydrophobicContact CG2-CB 3.47Å; I108-Q112 VanDerWaalsContact CG2-CB 3.47Å; I108-L116 HydrophobicContact CD1-CD1 3.67Å; I108-L116 HydrophobicContact CG2-CD1 3.72Å; I108-R148 PolarHBondContact N-O 3.25Å; I108-R148 VanDerWaalsContact N-O 3.09Å; I108-R148 PolarHBondContact O-N 2.9Å; I108-V150 HydrophobicContact CD1-CB 4.48Å; I108-V150 HydrophobicContact CD1-CG2 4.02Å; I108-I166 HydrophobicContact CD1-CG2 3.86Å; I108-I170 HydrophobicContact CD1-CD1 4.34Å |
| 109 | P | 82.3 | Confident | 81.4 | Confident | 25 Ų | 25 | 51 Ų | 51 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 144.2 | 176.9 | 23.5 | -32 | 0 | 0 | 0 | 111.3 | S111 Q112 C113 E147 | P109-S111 PolarHBondContact O-N 2.86Å; P109-S111 VanDerWaalsContact O-N 3.1Å; P109-Q112 HydrophobicContact CG-CB 4.12Å; P109-Q112 HydrophobicContact CG-CG 3.81Å; P109-Q112 WeakPolarHBondContact O-CA 3.38Å; P109-Q112 WeakPolarHBondContact O-CB 3.41Å; P109-Q112 PolarHBondContact O-N 2.96Å; P109-C113 PolarHBondContact O-N 3.39Å; P109-E147 HydrophobicContact CB-CG 4.33Å |
| 110 | A | 77.1 | Confident | 82.7 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.4 | -32 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q112 C113 G114 L141 T146 | A110-Q112 VanDerWaalsContact C-N 3.31Å; A110-Q112 PolarHBondContact O-N 2.89Å; A110-C113 PolarHBondContact O-N 3.1Å; A110-G114 PolarHBondContact O-N 3.3Å; A110-G114 VanDerWaalsContact O-N 3.15Å; A110-L141 HydrophobicContact CB-CD2 4.21Å; A110-T146 VanDerWaalsContact CB-O 3.25Å; A110-T146 WeakPolarHBondContact CB-O 3.49Å; A110-T146 PolarHBondContact N-O 3.24Å |
| 111 | S | 79.3 | Confident | 83.9 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.4 | -43.1 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | P109 | P109-S111 PolarHBondContact O-N 2.86Å; P109-S111 VanDerWaalsContact O-N 3.1Å |
| 112 | Q | 81.5 | Confident | 84.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.4 | -38.5 | 176.2 | -73.1 | -68.3 | -5 | 0 | 0 | 112.6 | I108 P109 A110 G114 S115 L116 S173 P175 | I108-Q112 HydrophobicContact CG2-CB 3.47Å; I108-Q112 VanDerWaalsContact CG2-CB 3.47Å; P109-Q112 HydrophobicContact CG-CB 4.12Å; P109-Q112 HydrophobicContact CG-CG 3.81Å; P109-Q112 WeakPolarHBondContact O-CA 3.38Å; P109-Q112 WeakPolarHBondContact O-CB 3.41Å; P109-Q112 PolarHBondContact O-N 2.96Å; A110-Q112 VanDerWaalsContact C-N 3.31Å; A110-Q112 PolarHBondContact O-N 2.89Å; Q112-G114 PolarHBondContact O-N 3.49Å; Q112-S115 PolarHBondContact O-N 3.43Å; Q112-S115 VanDerWaalsContact O-N 3.15Å; Q112-L116 PolarHBondContact O-N 3.48Å; Q112-L116 VanDerWaalsContact O-N 3.07Å; Q112-S173 VanDerWaalsContact CD-O 3.24Å; Q112-S173 PolarHBondContact NE2-O 2.93Å; Q112-S173 PolarHBondContact OE1-O 2.83Å; Q112-S173 VanDerWaalsContact OE1-O 3.06Å; Q112-P175 HydrophobicContact CG-CB 4.4Å; Q112-P175 VanDerWaalsContact NE2-CD 3.32Å; Q112-P175 VanDerWaalsContact NE2-N 3.13Å |
| 113 | C | 79.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -35.6 | -179.9 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | P109 A110 S115 L116 I117 | P109-C113 PolarHBondContact O-N 3.39Å; A110-C113 PolarHBondContact O-N 3.1Å; C113-S115 PolarHBondContact O-N 2.84Å; C113-L116 PolarHBondContact O-N 3Å; C113-I117 WeakPolarHBondContact O-CD1 3.42Å; C113-I117 VanDerWaalsContact O-CG1 3.26Å; C113-I117 WeakPolarHBondContact O-CG1 3.42Å; C113-I117 PolarHBondContact O-N 3.08Å |
| 114 | G | 84 | Confident | 85.6 | Confident | 47 Ų | 47 | 44 Ų | 44 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A110 Q112 G118 | A110-G114 PolarHBondContact O-N 3.3Å; A110-G114 VanDerWaalsContact O-N 3.15Å; Q112-G114 PolarHBondContact O-N 3.49Å; G114-G118 PolarHBondContact O-N 2.89Å |
| 115 | S | 84.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 49 Ų | 49 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 175.8 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | Q112 C113 I117 G118 S173 | Q112-S115 PolarHBondContact O-N 3.43Å; Q112-S115 VanDerWaalsContact O-N 3.15Å; C113-S115 PolarHBondContact O-N 2.84Å; S115-I117 VanDerWaalsContact C-N 3.33Å; S115-I117 PolarHBondContact O-N 2.77Å; S115-G118 PolarHBondContact O-N 3.16Å; S115-S173 WeakPolarHBondContact CB-OG 3.5Å; S115-S173 PolarHBondContact OG-OG 3.34Å; S115-S173 VanDerWaalsContact OG-OG 3.05Å |
| 116 | L | 87.1 | Confident | 85.8 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | 178 | -77 | 158.3 | 0 | 0 | 0 | 113 | I108 Q112 C113 I124 I166 V169 I170 | I108-L116 HydrophobicContact CD1-CD1 3.67Å; I108-L116 HydrophobicContact CG2-CD1 3.72Å; Q112-L116 PolarHBondContact O-N 3.48Å; Q112-L116 VanDerWaalsContact O-N 3.07Å; C113-L116 PolarHBondContact O-N 3Å; L116-I124 PolarHBondContact O-N 2.81Å; L116-I166 HydrophobicContact CD1-CG2 4.43Å; L116-I166 HydrophobicContact CD2-CB 4.19Å; L116-I166 HydrophobicContact CD2-CG1 4.21Å; L116-I166 HydrophobicContact CD2-CG2 3.96Å; L116-V169 HydrophobicContact CD2-CB 3.67Å; L116-V169 HydrophobicContact CD2-CG1 3.72Å; L116-V169 HydrophobicContact CD2-CG2 4.44Å; L116-V169 HydrophobicContact CG-CB 4.39Å; L116-V169 HydrophobicContact CG-CG1 3.92Å; L116-I170 HydrophobicContact CD1-CD1 4.48Å; L116-I170 HydrophobicContact CD1-CG1 4.13Å |
| 117 | I | 89.1 | Confident | 85.9 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.1 | -46.8 | 173.2 | -65.8 | 164.9 | 0 | 0 | 0 | 109.9 | C113 S115 G121 K123 I124 | C113-I117 WeakPolarHBondContact O-CD1 3.42Å; C113-I117 VanDerWaalsContact O-CG1 3.26Å; C113-I117 WeakPolarHBondContact O-CG1 3.42Å; C113-I117 PolarHBondContact O-N 3.08Å; S115-I117 VanDerWaalsContact C-N 3.33Å; S115-I117 PolarHBondContact O-N 2.77Å; I117-G121 CarbonylContact O-C 3.52Å; I117-G121 WeakPolarHBondContact O-CA 2.99Å; I117-K123 PolarHBondContact O-N 2.92Å; I117-I124 HydrophobicContact CB-CG2 4.34Å; I117-I124 HydrophobicContact CG1-CG2 4.49Å; I117-I124 HydrophobicContact CG2-CG2 4.1Å; I117-I124 PolarHBondContact O-N 3.01Å |
| 118 | G | 85 | Confident | 86 | Confident | 25 Ų | 25 | 55 Ų | 55 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | trans | 73.7 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G114 S115 A120 G121 | G114-G118 PolarHBondContact O-N 2.89Å; S115-G118 PolarHBondContact O-N 3.16Å; G118-A120 PolarHBondContact O-N 3.29Å; G118-G121 PolarHBondContact O-N 3.43Å; G118-G121 VanDerWaalsContact O-N 3.08Å | ||
| 119 | K | 87.8 | Confident | 86.3 | Confident | 194 Ų | 194 | 61.9 Ų | 61.9 | 84% | 0.843 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -57.1 | 124.7 | 179.1 | -63.9 | 177.3 | -176.7 | 174.8 | 0 | 109.6 | G121 T122 | K119-G121 PolarHBondContact O-N 2.85Å; K119-G121 VanDerWaalsContact O-N 3.08Å; K119-T122 PolarHBondContact O-N 3.35Å; K119-T122 VanDerWaalsContact O-N 3.17Å; K119-T122 PolarHBondContact O-OG1 3.07Å; K119-T122 VanDerWaalsContact O-OG1 3.14Å |
| 120 | A | 85.2 | Confident | 86.7 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 92% | 0.917 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | 53.8 | 20.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | G118 | G118-A120 PolarHBondContact O-N 3.29Š|
| 121 | G | 87.1 | Confident | 87.2 | Confident | 17 Ų | 17 | 64 Ų | 64 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | 79.6 | 12.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I117 G118 K119 K123 I124 K125 | I117-G121 CarbonylContact O-C 3.52Å; I117-G121 WeakPolarHBondContact O-CA 2.99Å; G118-G121 PolarHBondContact O-N 3.43Å; G118-G121 VanDerWaalsContact O-N 3.08Å; K119-G121 PolarHBondContact O-N 2.85Å; K119-G121 VanDerWaalsContact O-N 3.08Å; G121-K123 PolarHBondContact O-N 3.3Å; G121-I124 VanDerWaalsContact O-CG2 3.23Å; G121-I124 WeakPolarHBondContact O-CG2 3.49Å; G121-K125 VanDerWaalsContact O-CB 3.25Å; G121-K125 WeakPolarHBondContact O-CB 3.37Å; G121-K125 PolarHBondContact O-N 3.26Å |
| 122 | T | 90.1 | Very high | 87.6 | Confident | 89 Ų | 89 | 64 Ų | 64 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | -177.9 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | K119 K125 E126 | K119-T122 PolarHBondContact O-N 3.35Å; K119-T122 VanDerWaalsContact O-N 3.17Å; K119-T122 PolarHBondContact O-OG1 3.07Å; K119-T122 VanDerWaalsContact O-OG1 3.14Å; T122-K125 PolarHBondContact O-N 2.89Å; T122-E126 WeakPolarHBondContact O-CB 3.36Å; T122-E126 PolarHBondContact O-N 3.32Å |
| 123 | K | 90 | Very high | 87.9 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | -176.3 | -162.1 | 104 | 179.1 | -161.8 | 0 | 111 | I117 G121 K125 E126 I127 E172 | I117-K123 PolarHBondContact O-N 2.92Å; G121-K123 PolarHBondContact O-N 3.3Å; K123-K125 PolarHBondContact O-N 3.1Å; K123-E126 WeakPolarHBondContact O-CB 3.41Å; K123-E126 PolarHBondContact O-N 3.44Å; K123-I127 HydrophobicContact CG-CD1 4.35Å; K123-I127 WeakPolarHBondContact O-CD1 3.44Å; K123-I127 VanDerWaalsContact O-CG1 3.22Å; K123-I127 WeakPolarHBondContact O-CG1 3.49Å; K123-I127 PolarHBondContact O-N 2.75Å; K123-E172 IonicContact NZ-OE1 2.66Å; K123-E172 PolarHBondContact NZ-OE1 2.91Å |
| 124 | I | 90.7 | Very high | 88.2 | Confident | 28 Ų | 28 | 70.5 Ų | 70.5 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.3 | -31.4 | 173.8 | -172.3 | 60.7 | 0 | 0 | 0 | 112.9 | L116 I117 G121 R128 V135 | L116-I124 PolarHBondContact O-N 2.81Å; I117-I124 HydrophobicContact CB-CG2 4.34Å; I117-I124 HydrophobicContact CG1-CG2 4.49Å; I117-I124 HydrophobicContact CG2-CG2 4.1Å; I117-I124 PolarHBondContact O-N 3.01Å; G121-I124 VanDerWaalsContact O-CG2 3.23Å; G121-I124 WeakPolarHBondContact O-CG2 3.49Å; I124-R128 WeakPolarHBondContact O-CG 3.12Å; I124-R128 PolarHBondContact O-N 3.08Å; I124-V135 HydrophobicContact CD1-CB 4.15Å; I124-V135 HydrophobicContact CD1-CG1 3.76Å |
| 125 | K | 90.4 | Very high | 88.5 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 173.2 | 175.4 | 175.2 | 177.6 | -164.1 | 0 | 111.8 | G121 T122 K123 R128 E129 | G121-K125 VanDerWaalsContact O-CB 3.25Å; G121-K125 WeakPolarHBondContact O-CB 3.37Å; G121-K125 PolarHBondContact O-N 3.26Å; T122-K125 PolarHBondContact O-N 2.89Å; K123-K125 PolarHBondContact O-N 3.1Å; K125-R128 WeakPolarHBondContact O-CG 3.36Å; K125-E129 WeakPolarHBondContact O-CB 3.31Å; K125-E129 PolarHBondContact O-N 2.97Å |
| 126 | E | 90.1 | Very high | 88.6 | Confident | 99 Ų | 99 | 73.8 Ų | 73.8 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -50.3 | 174 | -170.8 | -175 | 137.3 | 0 | 0 | 110.6 | T122 K123 R128 E129 T130 | T122-E126 WeakPolarHBondContact O-CB 3.36Å; T122-E126 PolarHBondContact O-N 3.32Å; K123-E126 WeakPolarHBondContact O-CB 3.41Å; K123-E126 PolarHBondContact O-N 3.44Å; E126-R128 PolarHBondContact O-N 3.07Å; E126-E129 WeakPolarHBondContact O-CA 3.44Å; E126-E129 WeakPolarHBondContact O-CB 3.43Å; E126-E129 PolarHBondContact O-N 2.67Å; E126-T130 PolarHBondContact O-N 2.79Å; E126-T130 PolarHBondContact O-OG1 3.13Å |
| 127 | I | 91.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.015 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -53.8 | -47.6 | 180 | -68 | 162.4 | 0 | 0 | 0 | 112 | K123 E129 T131 Q165 | K123-I127 HydrophobicContact CG-CD1 4.35Å; K123-I127 WeakPolarHBondContact O-CD1 3.44Å; K123-I127 VanDerWaalsContact O-CG1 3.22Å; K123-I127 WeakPolarHBondContact O-CG1 3.49Å; K123-I127 PolarHBondContact O-N 2.75Å; I127-E129 VanDerWaalsContact C-N 3.29Å; I127-E129 PolarHBondContact O-N 3.01Å; I127-T131 HydrophobicContact CG2-CG2 4.34Å; I127-T131 VanDerWaalsContact O-CB 3.26Å; I127-T131 WeakPolarHBondContact O-CB 3.49Å; I127-T131 WeakPolarHBondContact O-CG2 3.49Å; I127-T131 PolarHBondContact O-N 3.43Å; I127-T131 PolarHBondContact O-OG1 3.33Å; I127-Q165 HydrophobicContact CG1-CB 4.43Å; I127-Q165 HydrophobicContact CG1-CG 3.8Å; I127-Q165 HydrophobicContact CG2-CB 4.47Å |
| 128 | R | 89.4 | Confident | 88.3 | Confident | 120 Ų | 120 | 74.2 Ų | 74.2 | 45% | 0.453 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.7 | -25.3 | 178.2 | 69.7 | -176.7 | -171.4 | -168.5 | 5.5 | 113.7 | I124 K125 E126 G132 V135 | I124-R128 WeakPolarHBondContact O-CG 3.12Å; I124-R128 PolarHBondContact O-N 3.08Å; K125-R128 WeakPolarHBondContact O-CG 3.36Å; E126-R128 PolarHBondContact O-N 3.07Å; R128-G132 WeakPolarHBondContact O-CA 3.37Å; R128-G132 PolarHBondContact O-N 2.6Å; R128-G132 VanDerWaalsContact O-N 3.14Å; R128-V135 HydrophobicContact CB-CG2 4.36Å |
| 129 | E | 90.5 | Very high | 87.4 | Confident | 149 Ų | 149 | 75.7 Ų | 75.7 | 70% | 0.696 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -81.5 | -45.6 | -179.5 | -170.3 | 163.1 | 89.5 | 0 | 0 | 110.6 | K125 E126 I127 T131 | K125-E129 WeakPolarHBondContact O-CB 3.31Å; K125-E129 PolarHBondContact O-N 2.97Å; E126-E129 WeakPolarHBondContact O-CA 3.44Å; E126-E129 WeakPolarHBondContact O-CB 3.43Å; E126-E129 PolarHBondContact O-N 2.67Å; I127-E129 VanDerWaalsContact C-N 3.29Å; I127-E129 PolarHBondContact O-N 3.01Å; E129-T131 PolarHBondContact O-N 3.06Å |
| 130 | T | 91.1 | Very high | 86.6 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 61% | 0.613 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.9 | -37.4 | 173.9 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | E126 | E126-T130 PolarHBondContact O-N 2.79Å; E126-T130 PolarHBondContact O-OG1 3.13Å |
| 131 | T | 88.6 | Confident | 85.6 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -92.6 | -20.2 | -173.8 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | I127 E129 A133 A158 L161 C162 | I127-T131 HydrophobicContact CG2-CG2 4.34Å; I127-T131 VanDerWaalsContact O-CB 3.26Å; I127-T131 WeakPolarHBondContact O-CB 3.49Å; I127-T131 WeakPolarHBondContact O-CG2 3.49Å; I127-T131 PolarHBondContact O-N 3.43Å; I127-T131 PolarHBondContact O-OG1 3.33Å; E129-T131 PolarHBondContact O-N 3.06Å; T131-A133 PolarHBondContact O-N 3.16Å; T131-A133 VanDerWaalsContact O-N 3.15Å; T131-A133 PolarHBondContact OG1-N 3.1Å; T131-A158 WeakPolarHBondContact O-CB 3.09Å; T131-L161 HydrophobicContact CG2-CB 4.22Å; T131-C162 VanDerWaalsContact CG2-CA 3.43Å; T131-C162 HydrophobicContact CG2-CB 3.77Å |
| 132 | G | 86.8 | Confident | 84.3 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | trans | 66.4 | 4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R128 | R128-G132 WeakPolarHBondContact O-CA 3.37Å; R128-G132 PolarHBondContact O-N 2.6Å; R128-G132 VanDerWaalsContact O-N 3.14Å | ||
| 133 | A | 87.9 | Confident | 82.3 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 2% | 0.017 | 39% | 0.394 | C | S | . | . | trans | -84.5 | 145.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T131 V135 V152 A158 C162 | T131-A133 PolarHBondContact O-N 3.16Å; T131-A133 VanDerWaalsContact O-N 3.15Å; T131-A133 PolarHBondContact OG1-N 3.1Å; A133-V135 PolarHBondContact O-N 3.02Å; A133-V152 HydrophobicContact CB-CG1 3.9Å; A133-A158 HydrophobicContact CB-CB 4.21Å; A133-C162 HydrophobicContact CB-CB 4.28Å | ||
| 134 | Q | 86.7 | Confident | 80.3 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 66% | 0.659 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 102.1 | 171.1 | -74.7 | -64.8 | -30.1 | 0 | 0 | 109.5 | S153 | Q134-S153 WeakPolarHBondContact CB-OG 2.99Å; Q134-S153 PolarHBondContact N-O 3.04Å; Q134-S153 PolarHBondContact O-N 2.73Å; Q134-S153 PolarHBondContact O-OG 3.47Å |
| 135 | V | 90 | Very high | 78.7 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 11% | 0.109 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120 | 177.9 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | I124 R128 A133 V150 V152 C162 | I124-V135 HydrophobicContact CD1-CB 4.15Å; I124-V135 HydrophobicContact CD1-CG1 3.76Å; R128-V135 HydrophobicContact CB-CG2 4.36Å; A133-V135 PolarHBondContact O-N 3.02Å; V135-V150 HydrophobicContact CG1-CG1 3.5Å; V135-V152 HydrophobicContact CG1-CG2 4.14Å; V135-V152 HydrophobicContact CG2-CG1 4.34Å; V135-V152 HydrophobicContact CG2-CG2 4.34Å; V135-C162 VanDerWaalsContact CG2-SG 3.58Å |
| 136 | Q | 86.9 | Confident | 77.5 | Confident | 147 Ų | 147 | 69.4 Ų | 69.4 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 110.5 | 178.7 | -173.4 | 158 | 61.5 | 0 | 0 | 110.7 | T151 | Q136-T151 PolarHBondContact N-O 2.78Å; Q136-T151 PolarHBondContact O-N 2.94Å |
| 137 | V | 87.1 | Confident | 77 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 26% | 0.255 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.1 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | G139 R148 V150 | V137-G139 PolarHBondContact O-N 2.96Å; V137-R148 HydrophobicContact CG1-CG 4.11Å; V137-V150 HydrophobicContact CG1-CG2 4.37Å; V137-V150 HydrophobicContact CG2-CG1 4.27Å; V137-V150 HydrophobicContact CG2-CG2 4.2Å |
| 138 | A | 81.3 | Confident | 76.7 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 28% | 0.281 | 38% | 0.381 | S | S | . | . | trans | -61.4 | 134.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D140 R148 A149 | A138-D140 VanDerWaalsContact C-N 3.3Å; A138-R148 WeakPolarHBondContact O-CD 3.31Å; A138-R148 WeakPolarHBondContact O-CG 3.32Å; A138-R148 PolarHBondContact O-NH1 2.94Å; A138-A149 HydrophobicContact CB-CB 4.35Å; A138-A149 VanDerWaalsContact CB-O 3.29Å; A138-A149 WeakPolarHBondContact CB-O 3.18Å; A138-A149 PolarHBondContact N-O 3.32Å | ||
| 139 | G | 65.7 | Low | 76.5 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -70 | -29.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V137 R148 | V137-G139 PolarHBondContact O-N 2.96Å; G139-R148 PolarHBondContact O-NH1 3.32Å; G139-R148 PolarHBondContact O-NH2 3.49Å |
| 140 | D | 71.4 | Confident | 76.4 | Confident | 132 Ų | 132 | 55.1 Ų | 55.1 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -98.5 | 149 | -178.3 | -51.7 | -82.7 | 0 | 0 | 0 | 111.3 | A138 | A138-D140 VanDerWaalsContact C-N 3.3Š|
| 141 | L | 63.7 | Low | 76.3 | Confident | 82 Ų | 82 | 52 Ų | 52 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 149.6 | 165.4 | -60.9 | 174.1 | 0 | 0 | 0 | 108.3 | A110 R148 | A110-L141 HydrophobicContact CB-CD2 4.21Å; L141-R148 HydrophobicContact CD2-CB 4.35Å |
| 142 | L | 59.9 | Low | 76.4 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 135.7 | 170.2 | -74.7 | 90.5 | 0 | 0 | 0 | 108.3 | N144 S145 E147 A149 | L142-N144 PolarHBondContact O-N 2.92Å; L142-S145 PolarHBondContact O-N 3.49Å; L142-E147 WeakPolarHBondContact CD1-O 3.44Å; L142-E147 PolarHBondContact N-O 3.44Å; L142-A149 HydrophobicContact CD1-CB 4.15Å |
| 143 | P | 48.5 | Very low | 76.5 | Confident | 93 Ų | 93 | 50 Ų | 50 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134.6 | 177.2 | 24.3 | -33.5 | 0 | 0 | 0 | 108.9 | S145 | P143-S145 VanDerWaalsContact C-N 3.32Å; P143-S145 PolarHBondContact O-N 2.68Å |
| 144 | N | 49.5 | Very low | 76.5 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 6.4 | -170.7 | 82.2 | 52.9 | 0 | 0 | 0 | 118.3 | L142 Y182 | L142-N144 PolarHBondContact O-N 2.92Å; N144-Y182 WeakPolarHBondContact OD1-CD2 3.41Å; N144-Y182 WeakPolarHBondContact OD1-CE2 3.35Å |
| 145 | S | 56.4 | Low | 76.5 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | trans | -120.2 | 147.6 | 177.5 | -161.2 | 0 | 0 | 0 | 0 | 114.4 | L142 P143 E147 | L142-S145 PolarHBondContact O-N 3.49Å; P143-S145 VanDerWaalsContact C-N 3.32Å; P143-S145 PolarHBondContact O-N 2.68Å; S145-E147 VanDerWaalsContact OG-CB 3.24Å; S145-E147 WeakPolarHBondContact OG-CB 3.18Å; S145-E147 WeakPolarHBondContact OG-CG 3.5Å; S145-E147 PolarHBondContact OG-N 2.85Å; S145-E147 PolarHBondContact OG-OE2 2.66Å | ||
| 146 | T | 64.6 | Low | 76.1 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -84.1 | 10 | 160.4 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | A110 | A110-T146 VanDerWaalsContact CB-O 3.25Å; A110-T146 WeakPolarHBondContact CB-O 3.49Å; A110-T146 PolarHBondContact N-O 3.24Å |
| 147 | E | 80.2 | Confident | 76.2 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 148.3 | 180 | -53.7 | 179.1 | 92.9 | 0 | 0 | 111.7 | R21 V107 P109 L142 S145 Y182 | R21-E147 IonicContact CZ-OE1 2.7Å; R21-E147 IonicContact CZ-OE2 3.96Å; R21-E147 IonicContact NH1-OE1 3.53Å; R21-E147 PolarHBondContact NH1-OE1 2.81Å; R21-E147 IonicContact NH1-OE2 2.67Å; R21-E147 PolarHBondContact NH1-OE2 3.19Å; R21-E147 IonicContact NH2-OE2 2.67Å; V107-E147 HydrophobicContact CG1-CB 3.63Å; V107-E147 HydrophobicContact CG1-CG 4.25Å; V107-E147 WeakPolarHBondContact CG1-OE1 3.31Å; P109-E147 HydrophobicContact CB-CG 4.33Å; L142-E147 WeakPolarHBondContact CD1-O 3.44Å; L142-E147 PolarHBondContact N-O 3.44Å; S145-E147 VanDerWaalsContact OG-CB 3.24Å; S145-E147 WeakPolarHBondContact OG-CB 3.18Å; S145-E147 WeakPolarHBondContact OG-CG 3.5Å; S145-E147 PolarHBondContact OG-N 2.85Å; S145-E147 PolarHBondContact OG-OE2 2.66Å; E147-Y182 WeakPolarHBondContact OE2-CB 3.43Å; E147-Y182 PolarHBondContact OE2-N 3.17Å |
| 148 | R | 84.4 | Confident | 76.3 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.3 | -174.5 | -168.6 | 169.8 | -83.8 | -108.3 | -4.4 | 108.3 | I108 V137 A138 G139 L141 | I108-R148 PolarHBondContact N-O 3.25Å; I108-R148 VanDerWaalsContact N-O 3.09Å; I108-R148 PolarHBondContact O-N 2.9Å; V137-R148 HydrophobicContact CG1-CG 4.11Å; A138-R148 WeakPolarHBondContact O-CD 3.31Å; A138-R148 WeakPolarHBondContact O-CG 3.32Å; A138-R148 PolarHBondContact O-NH1 2.94Å; G139-R148 PolarHBondContact O-NH1 3.32Å; G139-R148 PolarHBondContact O-NH2 3.49Å; L141-R148 HydrophobicContact CD2-CB 4.35Å |
| 149 | A | 85.4 | Confident | 76.6 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L106 A138 L142 | L106-A149 CarbonylContact O-C 3.31Å; L106-A149 WeakPolarHBondContact O-CA 3.47Å; A138-A149 HydrophobicContact CB-CB 4.35Å; A138-A149 VanDerWaalsContact CB-O 3.29Å; A138-A149 WeakPolarHBondContact CB-O 3.18Å; A138-A149 PolarHBondContact N-O 3.32Å; L142-A149 HydrophobicContact CD1-CB 4.15Å |
| 150 | V | 89.1 | Confident | 77.6 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.9 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | R105 L106 I108 V135 V137 V152 | R105-V150 CarbonylContact C-O 3.57Å; R105-V150 WeakPolarHBondContact CA-O 3.18Å; L106-V150 PolarHBondContact N-O 3.07Å; L106-V150 PolarHBondContact O-N 2.96Å; I108-V150 HydrophobicContact CD1-CB 4.48Å; I108-V150 HydrophobicContact CD1-CG2 4.02Å; V135-V150 HydrophobicContact CG1-CG1 3.5Å; V137-V150 HydrophobicContact CG1-CG2 4.37Å; V137-V150 HydrophobicContact CG2-CG1 4.27Å; V137-V150 HydrophobicContact CG2-CG2 4.2Å; V150-V152 HydrophobicContact CG1-CG2 4.43Å |
| 151 | T | 88.6 | Confident | 78.4 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 22% | 0.221 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122 | 175.1 | -50.6 | 0 | 0 | 0 | 0 | 108.7 | R105 Q136 | R105-T151 HydrophobicContact CG-CG2 3.92Å; Q136-T151 PolarHBondContact N-O 2.78Å; Q136-T151 PolarHBondContact O-N 2.94Å |
| 152 | V | 90.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.3 | 171.7 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | T103 L104 L106 A133 V135 V150 I159 C162 I166 | T103-V152 CarbonylContact C-O 3.21Å; T103-V152 WeakPolarHBondContact CA-O 3.45Å; L104-V152 PolarHBondContact N-O 3.48Å; L104-V152 PolarHBondContact O-N 2.84Å; L106-V152 HydrophobicContact CD1-CB 4.43Å; L106-V152 HydrophobicContact CD1-CG2 3.65Å; A133-V152 HydrophobicContact CB-CG1 3.9Å; V135-V152 HydrophobicContact CG1-CG2 4.14Å; V135-V152 HydrophobicContact CG2-CG1 4.34Å; V135-V152 HydrophobicContact CG2-CG2 4.34Å; V150-V152 HydrophobicContact CG1-CG2 4.43Å; V152-I159 HydrophobicContact CG1-CG1 4.14Å; V152-I159 HydrophobicContact CG1-CG2 4.33Å; V152-C162 HydrophobicContact CG1-CB 4.12Å; V152-I166 HydrophobicContact CG2-CD1 4.26Å |
| 153 | S | 88.1 | Confident | 80.9 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140 | 174.4 | 65 | 0 | 0 | 0 | 0 | 112.3 | V102 Q134 | V102-S153 VanDerWaalsContact O-CA 3.26Å; V102-S153 WeakPolarHBondContact O-CA 3.4Å; Q134-S153 WeakPolarHBondContact CB-OG 2.99Å; Q134-S153 PolarHBondContact N-O 3.04Å; Q134-S153 PolarHBondContact O-N 2.73Å; Q134-S153 PolarHBondContact O-OG 3.47Å |
| 154 | G | 88.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.4 | -158.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V102 | V102-G154 PolarHBondContact N-O 3.26Å; V102-G154 VanDerWaalsContact N-O 3.16Å; V102-G154 PolarHBondContact O-N 2.87Å; V102-G154 VanDerWaalsContact O-N 3.14Å |
| 155 | V | 86.9 | Confident | 84.5 | Confident | 98 Ų | 98 | 35.6 Ų | 35.6 | 59% | 0.594 | 19% | 0.192 | S | C | * | . | trans | -71.9 | 142.1 | 168.8 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | D157 A158 I159 | V155-D157 HydrophobicContact CG1-CB 4.28Å; V155-D157 PolarHBondContact O-N 3.27Å; V155-D157 VanDerWaalsContact O-N 3.12Å; V155-A158 HydrophobicContact CB-CB 4.32Å; V155-A158 WeakPolarHBondContact O-CB 3.4Å; V155-A158 PolarHBondContact O-N 2.8Å; V155-A158 VanDerWaalsContact O-N 3.09Å; V155-I159 WeakPolarHBondContact O-CG1 3.37Å; V155-I159 PolarHBondContact O-N 3.24Å | ||
| 156 | P | 82.5 | Confident | 86 | Confident | 19 Ų | 19 | 35 Ų | 35 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -50.7 | -38.6 | 179.3 | 16.2 | -31.4 | 0 | 0 | 0 | 113.7 | I159 I160 | P156-I159 WeakPolarHBondContact O-CB 3.33Å; P156-I159 PolarHBondContact O-N 2.91Å; P156-I160 WeakPolarHBondContact O-CD1 3.41Å; P156-I160 VanDerWaalsContact O-CG1 3.28Å; P156-I160 WeakPolarHBondContact O-CG1 3.47Å; P156-I160 PolarHBondContact O-N 3.41Å |
| 157 | D | 86.9 | Confident | 86.9 | Confident | 102 Ų | 102 | 32.6 Ų | 32.6 | 55% | 0.545 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 177 | -159.7 | -98.3 | 0 | 0 | 0 | 113.1 | V155 I159 I160 L161 | V155-D157 HydrophobicContact CG1-CB 4.28Å; V155-D157 PolarHBondContact O-N 3.27Å; V155-D157 VanDerWaalsContact O-N 3.12Å; D157-I159 PolarHBondContact O-N 3.38Å; D157-I160 WeakPolarHBondContact O-CB 3.37Å; D157-I160 PolarHBondContact O-N 2.82Å; D157-I160 VanDerWaalsContact O-N 3.12Å; D157-L161 PolarHBondContact O-N 3.04Å |
| 158 | A | 89.4 | Confident | 86.9 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -36.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T131 A133 V155 C162 | T131-A158 WeakPolarHBondContact O-CB 3.09Å; A133-A158 HydrophobicContact CB-CB 4.21Å; V155-A158 HydrophobicContact CB-CB 4.32Å; V155-A158 WeakPolarHBondContact O-CB 3.4Å; V155-A158 PolarHBondContact O-N 2.8Å; V155-A158 VanDerWaalsContact O-N 3.09Å; A158-C162 VanDerWaalsContact O-CB 3.28Å; A158-C162 WeakPolarHBondContact O-CB 3.37Å; A158-C162 PolarHBondContact O-N 3.47Å |
| 159 | I | 88.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.2 | -42.2 | 177 | -62 | 168.2 | 0 | 0 | 0 | 110.8 | V102 L104 V152 V155 P156 D157 C162 V163 | V102-I159 HydrophobicContact CB-CD1 3.7Å; V102-I159 HydrophobicContact CG1-CD1 3.95Å; V102-I159 WeakPolarHBondContact O-CD1 3.27Å; L104-I159 HydrophobicContact CB-CG2 4.43Å; L104-I159 HydrophobicContact CD1-CG2 3.41Å; L104-I159 VanDerWaalsContact CD1-CG2 3.41Å; L104-I159 HydrophobicContact CG-CG2 4.01Å; V152-I159 HydrophobicContact CG1-CG1 4.14Å; V152-I159 HydrophobicContact CG1-CG2 4.33Å; V155-I159 WeakPolarHBondContact O-CG1 3.37Å; V155-I159 PolarHBondContact O-N 3.24Å; P156-I159 WeakPolarHBondContact O-CB 3.33Å; P156-I159 PolarHBondContact O-N 2.91Å; D157-I159 PolarHBondContact O-N 3.38Å; I159-C162 PolarHBondContact O-N 2.98Å; I159-V163 HydrophobicContact CG2-CG2 4.41Å; I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 3.24Å |
| 160 | I | 86 | Confident | 86.6 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 176.7 | -70.1 | 161.2 | 0 | 0 | 0 | 110.5 | F73 F81 P156 D157 V163 R164 | F73-I160 HydrophobicContact CD2-CG2 4.41Å; F73-I160 HydrophobicContact CE2-CG2 3.39Å; F73-I160 HydrophobicContact CZ-CG2 3.54Å; F81-I160 HydrophobicContact CE2-CD1 3.94Å; P156-I160 WeakPolarHBondContact O-CD1 3.41Å; P156-I160 VanDerWaalsContact O-CG1 3.28Å; P156-I160 WeakPolarHBondContact O-CG1 3.47Å; P156-I160 PolarHBondContact O-N 3.41Å; D157-I160 WeakPolarHBondContact O-CB 3.37Å; D157-I160 PolarHBondContact O-N 2.82Å; D157-I160 VanDerWaalsContact O-N 3.12Å; I160-V163 PolarHBondContact O-N 3.25Å; I160-R164 PolarHBondContact O-N 2.7Å |
| 161 | L | 88.6 | Confident | 86 | Confident | 77 Ų | 77 | 35.7 Ų | 35.7 | 40% | 0.403 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 173.8 | -65.4 | 175.6 | 0 | 0 | 0 | 111.8 | T131 D157 V163 R164 Q165 | T131-L161 HydrophobicContact CG2-CB 4.22Å; D157-L161 PolarHBondContact O-N 3.04Å; L161-V163 PolarHBondContact O-N 3.1Å; L161-R164 WeakPolarHBondContact O-CB 3.42Å; L161-R164 PolarHBondContact O-N 3.46Å; L161-Q165 PolarHBondContact O-N 3.23Å |
| 162 | C | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 178.7 | -173.1 | 0 | 0 | 0 | 0 | 112.7 | T131 A133 V135 V152 A158 I159 R164 Q165 I166 | T131-C162 VanDerWaalsContact CG2-CA 3.43Å; T131-C162 HydrophobicContact CG2-CB 3.77Å; A133-C162 HydrophobicContact CB-CB 4.28Å; V135-C162 VanDerWaalsContact CG2-SG 3.58Å; V152-C162 HydrophobicContact CG1-CB 4.12Å; A158-C162 VanDerWaalsContact O-CB 3.28Å; A158-C162 WeakPolarHBondContact O-CB 3.37Å; A158-C162 PolarHBondContact O-N 3.47Å; I159-C162 PolarHBondContact O-N 2.98Å; C162-R164 VanDerWaalsContact C-N 3.34Å; C162-Q165 PolarHBondContact O-N 3.31Å; C162-I166 WeakPolarHBondContact O-CB 3.47Å; C162-I166 WeakPolarHBondContact O-CD1 3.44Å; C162-I166 VanDerWaalsContact O-CG1 3.24Å; C162-I166 WeakPolarHBondContact O-CG1 3.18Å; C162-I166 PolarHBondContact O-N 2.8Å |
| 163 | V | 87.4 | Confident | 84.1 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | L20 V76 L106 I159 I160 L161 Q165 I166 C167 | L20-V163 HydrophobicContact CD2-CG1 3.93Å; V76-V163 HydrophobicContact CG1-CB 4.1Å; V76-V163 HydrophobicContact CG1-CG1 3.98Å; V76-V163 HydrophobicContact CG1-CG2 4.09Å; V76-V163 HydrophobicContact CG2-CG1 4.22Å; L106-V163 HydrophobicContact CD1-CG2 4.41Å; L106-V163 HydrophobicContact CD2-CG1 4.36Å; L106-V163 HydrophobicContact CD2-CG2 4.13Å; I159-V163 HydrophobicContact CG2-CG2 4.41Å; I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 3.24Å; I160-V163 PolarHBondContact O-N 3.25Å; L161-V163 PolarHBondContact O-N 3.1Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; V163-Q165 PolarHBondContact O-N 2.93Å; V163-I166 PolarHBondContact O-N 2.67Å; V163-C167 WeakPolarHBondContact O-CB 3.48Å; V163-C167 PolarHBondContact O-N 2.79Å |
| 164 | R | 85.8 | Confident | 82.7 | Confident | 113 Ų | 113 | 44.4 Ų | 44.4 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 173.9 | -162.2 | -178.8 | -160.6 | 136.3 | 1.6 | 111.8 | F73 I160 L161 C162 C167 A168 | F73-R164 HydrophobicContact CD2-CG 4.46Å; F73-R164 HydrophobicContact CE2-CB 4.33Å; F73-R164 HydrophobicContact CE2-CG 4.38Å; I160-R164 PolarHBondContact O-N 2.7Å; L161-R164 WeakPolarHBondContact O-CB 3.42Å; L161-R164 PolarHBondContact O-N 3.46Å; C162-R164 VanDerWaalsContact C-N 3.34Å; R164-C167 WeakPolarHBondContact O-CB 3.37Å; R164-C167 PolarHBondContact O-N 2.91Å; R164-A168 PolarHBondContact O-N 2.98Å |
| 165 | Q | 87.7 | Confident | 81.1 | Confident | 74 Ų | 74 | 47 Ų | 47 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 179.8 | -157.2 | 61.7 | 43.5 | 0 | 0 | 112.9 | I127 L161 C162 V163 C167 A168 V169 | I127-Q165 HydrophobicContact CG1-CB 4.43Å; I127-Q165 HydrophobicContact CG1-CG 3.8Å; I127-Q165 HydrophobicContact CG2-CB 4.47Å; L161-Q165 PolarHBondContact O-N 3.23Å; C162-Q165 PolarHBondContact O-N 3.31Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; V163-Q165 PolarHBondContact O-N 2.93Å; Q165-C167 VanDerWaalsContact C-N 3.3Å; Q165-C167 PolarHBondContact O-N 2.99Å; Q165-A168 PolarHBondContact O-N 3.01Å; Q165-V169 WeakPolarHBondContact O-CG2 3.29Å; Q165-V169 PolarHBondContact O-N 3.16Å |
| 166 | I | 88.4 | Confident | 78.9 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 172.9 | -70.9 | 165.2 | 0 | 0 | 0 | 110.4 | I108 L116 V152 C162 V163 V169 I170 | I108-I166 HydrophobicContact CD1-CG2 3.86Å; L116-I166 HydrophobicContact CD1-CG2 4.43Å; L116-I166 HydrophobicContact CD2-CB 4.19Å; L116-I166 HydrophobicContact CD2-CG1 4.21Å; L116-I166 HydrophobicContact CD2-CG2 3.96Å; V152-I166 HydrophobicContact CG2-CD1 4.26Å; C162-I166 WeakPolarHBondContact O-CB 3.47Å; C162-I166 WeakPolarHBondContact O-CD1 3.44Å; C162-I166 VanDerWaalsContact O-CG1 3.24Å; C162-I166 WeakPolarHBondContact O-CG1 3.18Å; C162-I166 PolarHBondContact O-N 2.8Å; V163-I166 PolarHBondContact O-N 2.67Å; I166-V169 PolarHBondContact O-N 3.47Å; I166-I170 HydrophobicContact CG2-CD1 3.72Å; I166-I170 HydrophobicContact CG2-CG1 4.48Å; I166-I170 VanDerWaalsContact O-CG1 3.31Å; I166-I170 WeakPolarHBondContact O-CG1 3.13Å; I166-I170 PolarHBondContact O-N 2.78Å |
| 167 | C | 81.9 | Confident | 77.1 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 178.5 | -164.2 | 0 | 0 | 0 | 0 | 111.3 | L18 V163 R164 Q165 V169 I170 L171 | L18-C167 WeakPolarHBondContact CD1-SG 3.47Å; V163-C167 WeakPolarHBondContact O-CB 3.48Å; V163-C167 PolarHBondContact O-N 2.79Å; R164-C167 WeakPolarHBondContact O-CB 3.37Å; R164-C167 PolarHBondContact O-N 2.91Å; Q165-C167 VanDerWaalsContact C-N 3.3Å; Q165-C167 PolarHBondContact O-N 2.99Å; C167-V169 PolarHBondContact O-N 2.83Å; C167-I170 PolarHBondContact O-N 3.2Å; C167-L171 PolarHBondContact O-N 2.61Å; C167-L171 VanDerWaalsContact O-N 3.09Å |
| 168 | A | 81.9 | Confident | 74.9 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | R164 Q165 L171 E172 | R164-A168 PolarHBondContact O-N 2.98Å; Q165-A168 PolarHBondContact O-N 3.01Å; A168-L171 PolarHBondContact O-N 3.3Å; A168-E172 WeakPolarHBondContact O-CB 3.44Å; A168-E172 PolarHBondContact O-N 3.49Å |
| 169 | V | 83.1 | Confident | 72.8 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.7 | -33.8 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | L116 Q165 I166 C167 L171 E172 S173 | L116-V169 HydrophobicContact CD2-CB 3.67Å; L116-V169 HydrophobicContact CD2-CG1 3.72Å; L116-V169 HydrophobicContact CD2-CG2 4.44Å; L116-V169 HydrophobicContact CG-CB 4.39Å; L116-V169 HydrophobicContact CG-CG1 3.92Å; Q165-V169 WeakPolarHBondContact O-CG2 3.29Å; Q165-V169 PolarHBondContact O-N 3.16Å; I166-V169 PolarHBondContact O-N 3.47Å; C167-V169 PolarHBondContact O-N 2.83Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.17Å; V169-E172 PolarHBondContact O-N 3.14Å; V169-S173 PolarHBondContact O-N 3.09Å; V169-S173 VanDerWaalsContact O-N 3.15Å; V169-S173 PolarHBondContact O-OG 3.05Å |
| 170 | I | 80.5 | Confident | 70.8 | Confident | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 173 | -68.2 | 166.2 | 0 | 0 | 0 | 110.9 | I108 L116 I166 C167 S173 | I108-I170 HydrophobicContact CD1-CD1 4.34Å; L116-I170 HydrophobicContact CD1-CD1 4.48Å; L116-I170 HydrophobicContact CD1-CG1 4.13Å; I166-I170 HydrophobicContact CG2-CD1 3.72Å; I166-I170 HydrophobicContact CG2-CG1 4.48Å; I166-I170 VanDerWaalsContact O-CG1 3.31Å; I166-I170 WeakPolarHBondContact O-CG1 3.13Å; I166-I170 PolarHBondContact O-N 2.78Å; C167-I170 PolarHBondContact O-N 3.2Å; I170-S173 CarbonylContact O-C 3.21Å |
| 171 | L | 76 | Confident | 69 | Low | 57 Ų | 57 | 63.4 Ų | 63.4 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74 | -39.9 | 173.2 | -68.6 | -172.8 | 0 | 0 | 0 | 113.7 | I16 L18 C167 A168 V169 S173 P174 | I16-L171 HydrophobicContact CB-CD1 4.5Å; I16-L171 HydrophobicContact CD1-CD1 4.26Å; I16-L171 HydrophobicContact CG2-CD1 4.15Å; I16-L171 HydrophobicContact CG2-CD2 3.52Å; I16-L171 HydrophobicContact CG2-CG 4.46Å; L18-L171 HydrophobicContact CD1-CD1 3.63Å; L18-L171 HydrophobicContact CD1-CD2 3.55Å; L18-L171 HydrophobicContact CD1-CG 3.61Å; L18-L171 HydrophobicContact CG-CD2 3.79Å; L18-L171 HydrophobicContact CG-CG 4.32Å; C167-L171 PolarHBondContact O-N 2.61Å; C167-L171 VanDerWaalsContact O-N 3.09Å; A168-L171 PolarHBondContact O-N 3.3Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.17Å; L171-S173 PolarHBondContact O-N 2.89Å; L171-P174 WeakPolarHBondContact O-CD 3.25Å |
| 172 | E | 77.4 | Confident | 66.7 | Low | 139 Ų | 139 | 61.9 Ų | 61.9 | 65% | 0.65 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62 | -28.3 | 178.2 | -178.7 | 171.7 | 90.7 | 0 | 0 | 111.6 | K123 A168 V169 | K123-E172 IonicContact NZ-OE1 2.66Å; K123-E172 PolarHBondContact NZ-OE1 2.91Å; A168-E172 WeakPolarHBondContact O-CB 3.44Å; A168-E172 PolarHBondContact O-N 3.49Å; V169-E172 PolarHBondContact O-N 3.14Å |
| 173 | S | 61.2 | Low | 64.3 | Low | 27 Ų | 27 | 66.7 Ų | 66.7 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -136.1 | 74.1 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | Q112 S115 V169 I170 L171 | Q112-S173 VanDerWaalsContact CD-O 3.24Å; Q112-S173 PolarHBondContact NE2-O 2.93Å; Q112-S173 PolarHBondContact OE1-O 2.83Å; Q112-S173 VanDerWaalsContact OE1-O 3.06Å; S115-S173 WeakPolarHBondContact CB-OG 3.5Å; S115-S173 PolarHBondContact OG-OG 3.34Å; S115-S173 VanDerWaalsContact OG-OG 3.05Å; V169-S173 PolarHBondContact O-N 3.09Å; V169-S173 VanDerWaalsContact O-N 3.15Å; V169-S173 PolarHBondContact O-OG 3.05Å; I170-S173 CarbonylContact O-C 3.21Å; L171-S173 PolarHBondContact O-N 2.89Å |
| 174 | P | 60.2 | Low | 61.8 | Low | 82 Ų | 82 | 68.3 Ų | 68.3 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | trans | -58 | 152 | 179.6 | 26.7 | -35.1 | 0 | 0 | 0 | 111.3 | L171 K176 | L171-P174 WeakPolarHBondContact O-CD 3.25Å; P174-K176 PolarHBondContact O-N 3.48Å | ||
| 175 | P | 54.4 | Low | 59.4 | Low | 71 Ų | 71 | 67.5 Ų | 67.5 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | trans | -65.1 | 112.5 | -161.5 | 25.3 | -32.3 | 0 | 0 | 0 | 111.4 | Q112 G177 | Q112-P175 HydrophobicContact CG-CB 4.4Å; Q112-P175 VanDerWaalsContact NE2-CD 3.32Å; Q112-P175 VanDerWaalsContact NE2-N 3.13Å; P175-G177 PolarHBondContact O-N 3.49Å; P175-G177 VanDerWaalsContact O-N 3.1Å | ||
| 176 | K | 40.3 | Very low | 57.2 | Low | 188 Ų | 188 | 71.5 Ų | 71.5 | 82% | 0.817 | 42% | 0.422 | S | S | * | . | trans | -79.5 | 93.1 | 177.4 | -67.7 | -176.4 | 179.8 | 178.6 | 0 | 109.4 | P174 | P174-K176 PolarHBondContact O-N 3.48Š| ||
| 177 | G | 43.6 | Very low | 54.9 | Low | 60 Ų | 60 | 72.8 Ų | 72.8 | 62% | 0.619 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 121.9 | 172.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P175 T179 | P175-G177 PolarHBondContact O-N 3.49Å; P175-G177 VanDerWaalsContact O-N 3.1Å; G177-T179 PolarHBondContact O-N 2.87Å; G177-T179 VanDerWaalsContact O-N 3.16Å |
| 178 | A | 41.5 | Very low | 53.1 | Low | 103 Ų | 103 | 79.1 Ų | 79.1 | 85% | 0.851 | 46% | 0.464 | S | S | * | . | trans | -63.3 | 113.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 179 | T | 44.6 | Very low | 51.4 | Low | 69 Ų | 69 | 79.3 Ų | 79.3 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | trans | -83.5 | 126.2 | 167 | -156.3 | 0 | 0 | 0 | 0 | 108.3 | G177 P181 | G177-T179 PolarHBondContact O-N 2.87Å; G177-T179 VanDerWaalsContact O-N 3.16Å; T179-P181 WeakPolarHBondContact O-CD 3.47Å | ||
| 180 | I | 46.8 | Very low | 49.5 | Very low | 107 Ų | 107 | 84.2 Ų | 84.2 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | trans | -92.9 | 106.2 | 171.6 | -56.8 | 172.4 | 0 | 0 | 0 | 105.9 | Y182 | I180-Y182 PolarHBondContact O-N 3.11Š| ||
| 181 | P | 48.8 | Very low | 47.4 | Very low | 64 Ų | 64 | 89.2 Ų | 89.2 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | trans | -73.5 | 129.1 | -174 | 29.1 | -33.7 | 0 | 0 | 0 | 110.6 | T179 H183 | T179-P181 WeakPolarHBondContact O-CD 3.47Å; P181-H183 PolarHBondContact O-CE1 2.98Å; P181-H183 PolarHBondContact O-N 2.88Å; P181-H183 VanDerWaalsContact O-N 3.09Å; P181-H183 PolarHBondContact O-ND1 2.85Å; P181-H183 VanDerWaalsContact O-ND1 3.14Å | ||
| 182 | Y | 41 | Very low | 45.8 | Very low | 45 Ų | 45 | 94.4 Ų | 94.4 | 18% | 0.176 | 56% | 0.559 | C | S | . | * | trans | -58.4 | 115.7 | 174.4 | -178.3 | -95.7 | 0 | 0 | 0 | 111.8 | R21 I62 N144 E147 I180 P184 | R21-Y182 PolarHBondContact NH2-O 3.25Å; I62-Y182 HydrophobicContact CD1-CD1 3.46Å; I62-Y182 VanDerWaalsContact CD1-CD1 3.46Å; I62-Y182 HydrophobicContact CD1-CE1 3.97Å; I62-Y182 HydrophobicContact CD1-CG 4.42Å; N144-Y182 WeakPolarHBondContact OD1-CD2 3.41Å; N144-Y182 WeakPolarHBondContact OD1-CE2 3.35Å; E147-Y182 WeakPolarHBondContact OE2-CB 3.43Å; E147-Y182 PolarHBondContact OE2-N 3.17Å; I180-Y182 PolarHBondContact O-N 3.11Å; Y182-P184 HydrophobicContact CE1-CB 3.92Å; Y182-P184 HydrophobicContact CE1-CG 4.49Å | ||
| 183 | H | 37.4 | Very low | 44 | Very low | 101 Ų | 101 | 96.2 Ų | 96.2 | 47% | 0.468 | 57% | 0.572 | S | S | . | * | trans | -106 | 118.6 | 168 | 11.4 | -107.3 | 0 | 0 | 0 | 108.9 | P181 S185 | P181-H183 PolarHBondContact O-CE1 2.98Å; P181-H183 PolarHBondContact O-N 2.88Å; P181-H183 VanDerWaalsContact O-N 3.09Å; P181-H183 PolarHBondContact O-ND1 2.85Å; P181-H183 VanDerWaalsContact O-ND1 3.14Å; H183-S185 PolarHBondContact O-N 3.17Å | ||
| 184 | P | 36.3 | Very low | 42.5 | Very low | 43 Ų | 43 | 100.3 Ų | 100.3 | 28% | 0.279 | 60% | 0.601 | S | S | . | * | trans | -76.7 | 63.8 | 176.6 | 32.5 | -35.3 | 0 | 0 | 0 | 111.6 | Y182 | Y182-P184 HydrophobicContact CE1-CB 3.92Å; Y182-P184 HydrophobicContact CE1-CG 4.49Å | ||
| 185 | S | 34.8 | Very low | 41.6 | Very low | 96 Ų | 96 | 101.1 Ų | 101.1 | 67% | 0.671 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -132.1 | 111.1 | 162.9 | -169.6 | 0 | 0 | 0 | 0 | 108.1 | H183 S187 | H183-S185 PolarHBondContact O-N 3.17Å; S185-S187 PolarHBondContact O-N 3.41Å |
| 186 | L | 41.8 | Very low | 41.3 | Very low | 157 Ų | 157 | 105.1 Ų | 105.1 | 82% | 0.822 | 63% | 0.632 | S | S | * | * | trans | -4.6 | 78.1 | -174.5 | -73.3 | 78.7 | 0 | 0 | 0 | 116.5 | L188 | L186-L188 PolarHBondContact O-N 3.16Š| ||
| 187 | S | 39.8 | Very low | 41.1 | Very low | 31 Ų | 31 | 104.8 Ų | 104.8 | 22% | 0.217 | 63% | 0.633 | C | S | . | * | trans | -80.3 | 102.9 | 161.2 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | S185 G189 | S185-S187 PolarHBondContact O-N 3.41Å; S187-G189 PolarHBondContact O-N 2.78Å | ||
| 188 | L | 44.8 | Very low | 41 | Very low | 144 Ų | 144 | 105.4 Ų | 105.4 | 75% | 0.754 | 64% | 0.639 | S | S | * | * | trans | -74.8 | 38.8 | -177.1 | -148.1 | 82.8 | 0 | 0 | 0 | 112.5 | L186 T190 | L186-L188 PolarHBondContact O-N 3.16Å; L188-T190 PolarHBondContact O-N 3.34Å | ||
| 189 | G | 45.6 | Very low | 40.5 | Very low | 49 Ų | 49 | 109.9 Ų | 109.9 | 51% | 0.505 | 64% | 0.64 | S | S | . | * | trans | -96.2 | 51.7 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S187 | S187-G189 PolarHBondContact O-N 2.78Š| ||
| 190 | T | 41.9 | Very low | 40.3 | Very low | 106 Ų | 106 | 112.1 Ų | 112.1 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -151.3 | 34.2 | 171 | -33.5 | 0 | 0 | 0 | 0 | 115.1 | L188 | L188-T190 PolarHBondContact O-N 3.34Š|
| 191 | V | 38.4 | Very low | 39.6 | Very low | 134 Ų | 134 | 114.2 Ų | 114.2 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -129.5 | 42.7 | 171.4 | -157.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 192 | L | 40.4 | Very low | 39.1 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | trans | -131.2 | 27.9 | 173.4 | -74.8 | 178.1 | 0 | 0 | 0 | 113.6 | ||||
| 193 | L | 39.7 | Very low | 38.5 | Very low | 178 Ų | 178 | 121.8 Ų | 121.8 | 93% | 0.932 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -125.1 | 56.4 | 171.7 | -87.4 | 144 | 0 | 0 | 0 | 111.5 | ||
| 194 | S | 31.3 | Very low | 38.2 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -175.2 | 85.3 | 135.8 | -167.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 195 | A | 40.8 | Very low | 38 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -96 | 122.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 196 | N | 46.9 | Very low | 37.6 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 81.1 | 71 | 159.4 | -152.6 | 27.5 | 0 | 0 | 0 | 119.1 | ||||
| 197 | Q | 37.9 | Very low | 37.4 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | -137.2 | 127.4 | 127 | -70 | -160.8 | 29.2 | 0 | 0 | 109.4 | |||||
| 198 | G | 39.8 | Very low | 37.3 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -83.8 | 128.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 199 | F | 31.7 | Very low | 37 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -140.9 | 123.4 | 159.9 | -107 | -86.4 | 0 | 0 | 0 | 109.5 | ||||
| 200 | S | 40.7 | Very low | 36.9 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -76.2 | 124.5 | 168.8 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 201 | V | 32.5 | Very low | 36.9 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 92% | 0.915 | 83% | 0.831 | S | S | * | * | trans | -138.7 | 139.1 | 160.9 | 116.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 202 | Q | 36.8 | Very low | 36.8 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -109 | 132.7 | -165.9 | 169.3 | -175.3 | -40.7 | 0 | 0 | 110 | ||||
| 203 | G | 29.9 | Very low | 37 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | 133.5 | 154 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 204 | Q | 30.9 | Very low | 37.3 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | cis | -166.7 | 146.2 | -16.8 | -168.3 | 165.6 | 16.1 | 0 | 0 | 105.2 | ||||
| 205 | Y | 31 | Very low | 37.5 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 92% | 0.918 | 82% | 0.824 | S | S | * | * | trans | -47.1 | 143.3 | -168 | -49.9 | -91.7 | 0 | 0 | 0 | 117.9 | ||||
| 206 | G | 27.6 | Very low | 37.7 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -146.8 | 120.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 207 | A | 36.9 | Very low | 37.7 | Very low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -96.5 | 147.5 | -162 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 208 | V | 37.1 | Very low | 37.8 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -134.1 | 138.5 | 156.9 | -71.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 209 | T | 38.2 | Very low | 37.8 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 74% | 0.736 | 84% | 0.84 | S | S | * | * | trans | -98.3 | 147.2 | -167.8 | 43.6 | 0 | 0 | 0 | 0 | 113 | A211 | T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.44Å | ||
| 210 | P | 43.8 | Very low | 37.8 | Very low | 136 Ų | 136 | 147 Ų | 147 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -85.8 | 66.6 | -175.9 | 35.8 | -36.5 | 0 | 0 | 0 | 112.2 | ||
| 211 | A | 41.8 | Very low | 37.6 | Very low | 76 Ų | 76 | 146.7 Ų | 146.7 | 63% | 0.628 | 84% | 0.837 | S | S | * | * | trans | -123.5 | -10.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | T209 | T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 3.44Å | ||
| 212 | E | 37.2 | Very low | 37.8 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -105.4 | 4.7 | -176.2 | -65.2 | -141.9 | 105.6 | 0 | 0 | 115.3 | T214 | E212-T214 VanDerWaalsContact C-N 3.32Å; E212-T214 PolarHBondContact O-N 3.03Å |
| 213 | V | 44.9 | Very low | 37.5 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 87% | 0.873 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 55.7 | 176 | -165.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 214 | T | 45.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 67% | 0.669 | 83% | 0.829 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.7 | -12.6 | 178.5 | -48.5 | 0 | 0 | 0 | 0 | 114 | E212 | E212-T214 VanDerWaalsContact C-N 3.32Å; E212-T214 PolarHBondContact O-N 3.03Å |
| 215 | K | 36.5 | Very low | 38.2 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 4.8 | -171.6 | -108.3 | -179.1 | 179.1 | 177.7 | 0 | 117.3 | ||
| 216 | L | 43.8 | Very low | 38 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 96% | 0.963 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 8 | -179.3 | -77.2 | 170 | 0 | 0 | 0 | 115.1 | ||
| 217 | Q | 46.6 | Very low | 38 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -106.3 | 12.2 | -174.5 | -166.3 | 160.4 | -23.6 | 0 | 0 | 114.9 | ||
| 218 | Q | 41 | Very low | 37.8 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -120.4 | 7.5 | -165.4 | -99.8 | -174.8 | -41.4 | 0 | 0 | 118.2 | ||
| 219 | L | 39.3 | Very low | 38.4 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 93% | 0.927 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -137.5 | 58.3 | -174.7 | -71.8 | 172.3 | 0 | 0 | 0 | 115.2 | ||
| 220 | S | 31.6 | Very low | 38.1 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -164.8 | 77.9 | 159.1 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 221 | S | 36.9 | Very low | 37.9 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -116.4 | 112 | 171.7 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 222 | H | 36.2 | Very low | 37.8 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -152.3 | 95.7 | 161 | -97.4 | 89 | 0 | 0 | 0 | 111.2 | ||||
| 223 | A | 30.7 | Very low | 38 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | trans | 26.5 | 115 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 224 | V | 30.9 | Very low | 37.4 | Very low | 138 Ų | 138 | 138 Ų | 138 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | 90.3 | 158.7 | 87.4 | -59.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 225 | P | 45.1 | Very low | 37.5 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | cis | -131.9 | 178 | -34.9 | 32.2 | -12.5 | 0 | 0 | 0 | 113.3 | ||||
| 226 | F | 26.7 | Very low | 37.8 | Very low | 204 Ų | 204 | 138.1 Ų | 138.1 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | 171.5 | 138.8 | 122.8 | -165.9 | -116.8 | 0 | 0 | 0 | 114.1 | |||||
| 227 | A | 27.9 | Very low | 38.3 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | trans | 56.6 | 99.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 228 | T | 32.2 | Very low | 38.4 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -76.2 | 174.6 | 137.9 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 229 | P | 50.9 | Low | 39 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | cis | -148.1 | 160.5 | 24.3 | 42.2 | -21.7 | 0 | 0 | 0 | 120 | ||||
| 230 | S | 31 | Very low | 39.9 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | 174.8 | 113.4 | 118.9 | -78.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 231 | V | 38.8 | Very low | 41.6 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 10.2 | 119.4 | 142.5 | -175.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 232 | V | 40.2 | Very low | 43.6 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | -158.4 | 143.2 | 100.8 | -89.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 233 | P | 41.3 | Very low | 45.7 | Very low | 130 Ų | 130 | 117.6 Ų | 117.6 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | trans | -97.4 | 136.5 | 178 | 4.6 | 16.9 | 0 | 0 | 0 | 113.2 | ||||
| 234 | G | 32.9 | Very low | 48.1 | Very low | 75 Ų | 75 | 117.9 Ų | 117.9 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -152.2 | 140.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 235 | L | 46.3 | Very low | 50.6 | Low | 176 Ų | 176 | 117.9 Ų | 117.9 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -122 | 110.9 | -169.4 | 175.8 | 72.5 | 0 | 0 | 0 | 110.9 | ||||
| 236 | D | 43.3 | Very low | 52.5 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | trans | -147 | 137.5 | 166 | 63.3 | -69.7 | 0 | 0 | 0 | 111.5 | ||||
| 237 | P | 54.5 | Low | 55 | Low | 136 Ų | 136 | 108.7 Ų | 108.7 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | trans | -99.6 | 103 | 178.9 | 34.8 | -29.6 | 0 | 0 | 0 | 111.7 | ||||
| 238 | G | 49 | Very low | 57.6 | Low | 56 Ų | 56 | 105.1 Ų | 105.1 | 58% | 0.577 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 176.4 | 103.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 239 | T | 54 | Low | 59.9 | Low | 105 Ų | 105 | 101.3 Ų | 101.3 | 64% | 0.644 | 62% | 0.616 | S | S | * | * | trans | 68.5 | 108.8 | 170 | -43.5 | 0 | 0 | 0 | 0 | 115.1 | T241 | T239-T241 PolarHBondContact O-N 3.15Š| ||
| 240 | Q | 57.3 | Low | 61.3 | Low | 180 Ų | 180 | 97.9 Ų | 97.9 | 84% | 0.841 | 59% | 0.592 | S | S | * | * | trans | -62.7 | 99.4 | 163.3 | -76.1 | -178.8 | -28.2 | 0 | 0 | 109.6 | S242 | Q240-S242 PolarHBondContact O-N 3.17Š| ||
| 241 | T | 68.1 | Low | 63.7 | Low | 100 Ų | 100 | 98.5 Ų | 98.5 | 61% | 0.613 | 59% | 0.586 | S | S | * | * | trans | -77.8 | 105.6 | 170.2 | 54.5 | 0 | 0 | 0 | 0 | 108.9 | T239 G293 | T239-T241 PolarHBondContact O-N 3.15Å; T241-G293 CarbonylContact C-O 3.59Å; T241-G293 WeakPolarHBondContact CA-O 3.48Å | ||
| 242 | S | 78.1 | Confident | 65.7 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 43% | 0.427 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 160.8 | 169.5 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | Q240 T292 G293 I298 | Q240-S242 PolarHBondContact O-N 3.17Å; S242-T292 WeakPolarHBondContact O-CA 3.42Å; S242-G293 PolarHBondContact N-O 3.49Å; S242-G293 PolarHBondContact O-N 2.91Å; S242-I298 WeakPolarHBondContact O-CD1 3.46Å |
| 243 | S | 81.3 | Confident | 67.7 | Low | 75 Ų | 75 | 87.2 Ų | 87.2 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.8 | 168.9 | -66.9 | 0 | 0 | 0 | 0 | 108.7 | I291 T292 | S243-I291 CarbonylContact C-O 3.58Å; S243-I291 WeakPolarHBondContact CA-O 3.35Å; S243-T292 WeakPolarHBondContact OG-CG2 3.44Å; S243-T292 PolarHBondContact OG-OG1 3.31Å |
| 244 | Q | 81 | Confident | 69.6 | Low | 85 Ų | 85 | 83.1 Ų | 83.1 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.1 | -180 | -171.6 | 164.6 | 2 | 0 | 0 | 109.9 | I291 I298 | Q244-I291 PolarHBondContact N-O 2.97Å; Q244-I291 PolarHBondContact O-N 2.89Å; Q244-I298 HydrophobicContact CB-CG2 3.87Å |
| 245 | E | 83.3 | Confident | 71.8 | Confident | 138 Ų | 138 | 82.7 Ų | 82.7 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 147.6 | 174.5 | 62 | -172.8 | 90.5 | 0 | 0 | 111 | V289 | E245-V289 WeakPolarHBondContact CA-O 3.43Å |
| 246 | F | 83.7 | Confident | 73.6 | Confident | 40 Ų | 40 | 74.4 Ų | 74.4 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 159.6 | 173.4 | 70.1 | -69.6 | 0 | 0 | 0 | 111 | V248 V289 I291 I305 | F246-V248 HydrophobicContact CD2-CG2 3.77Å; F246-V248 HydrophobicContact CE2-CG2 3.31Å; F246-V248 HydrophobicContact CZ-CG2 4.03Å; F246-V289 HydrophobicContact CD1-CB 4.19Å; F246-V289 VanDerWaalsContact CD1-O 3.3Å; F246-V289 WeakPolarHBondContact CD1-O 3.37Å; F246-V289 HydrophobicContact CE1-CB 3.59Å; F246-V289 HydrophobicContact CE1-CG1 3.64Å; F246-V289 HydrophobicContact CZ-CB 3.84Å; F246-V289 HydrophobicContact CZ-CG1 3.94Å; F246-V289 HydrophobicContact CZ-CG2 4.46Å; F246-V289 PolarHBondContact N-O 3.22Å; F246-V289 VanDerWaalsContact N-O 3.07Å; F246-V289 PolarHBondContact O-N 3.5Å; F246-I291 HydrophobicContact CD1-CD1 4.26Å; F246-I291 HydrophobicContact CD1-CG1 4.5Å; F246-I291 HydrophobicContact CE1-CD1 3.55Å; F246-I291 HydrophobicContact CE1-CG1 3.86Å; F246-I291 HydrophobicContact CZ-CD1 4.31Å; F246-I305 HydrophobicContact CE1-CD1 4.28Å; F246-I305 HydrophobicContact CE2-CG2 3.8Å; F246-I305 HydrophobicContact CZ-CB 4.16Å; F246-I305 HydrophobicContact CZ-CD1 3.71Å; F246-I305 HydrophobicContact CZ-CG2 3.7Å |
| 247 | L | 79.3 | Confident | 75.6 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.5 | -175.2 | -68.3 | 158.2 | 0 | 0 | 0 | 110.4 | E286 | L247-E286 HydrophobicContact CB-CB 4.44Å; L247-E286 HydrophobicContact CD2-CB 4.1Å |
| 248 | V | 82.3 | Confident | 77 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 110 | F246 I253 E286 R287 V289 L309 | F246-V248 HydrophobicContact CD2-CG2 3.77Å; F246-V248 HydrophobicContact CE2-CG2 3.31Å; F246-V248 HydrophobicContact CZ-CG2 4.03Å; V248-I253 HydrophobicContact CB-CD1 4Å; V248-I253 HydrophobicContact CG1-CB 4.01Å; V248-I253 HydrophobicContact CG1-CD1 3.7Å; V248-I253 HydrophobicContact CG1-CG1 4.42Å; V248-I253 HydrophobicContact CG2-CD1 4.45Å; V248-E286 CarbonylContact O-C 3.56Å; V248-E286 WeakPolarHBondContact O-CA 3.32Å; V248-R287 PolarHBondContact N-O 3.47Å; V248-R287 PolarHBondContact O-N 3.36Å; V248-V289 HydrophobicContact CB-CG2 4.5Å; V248-V289 HydrophobicContact CG2-CG2 3.95Å; V248-L309 HydrophobicContact CG1-CD1 4.07Å; V248-L309 HydrophobicContact CG1-CD2 3.59Å; V248-L309 HydrophobicContact CG1-CG 4.43Å; V248-L309 HydrophobicContact CG2-CD1 4.4Å |
| 249 | P | 81.8 | Confident | 78.6 | Confident | 54 Ų | 54 | 73.6 Ų | 73.6 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 139.3 | 177.2 | -28.2 | 36 | 0 | 0 | 0 | 113.5 | D251 L252 I253 | P249-D251 PolarHBondContact O-N 3.3Å; P249-L252 PolarHBondContact O-N 2.98Å; P249-L252 VanDerWaalsContact O-N 3.09Å; P249-I253 PolarHBondContact O-N 2.92Å |
| 250 | N | 79.3 | Confident | 79.9 | Confident | 39 Ų | 39 | 78.2 Ų | 78.2 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -26.2 | 179.4 | -83.8 | -92 | 0 | 0 | 0 | 113.1 | I253 A284 G285 E286 R287 | N250-I253 WeakPolarHBondContact O-CG2 3.48Å; N250-A284 PolarHBondContact ND2-O 3.03Å; N250-A284 VanDerWaalsContact ND2-O 3.1Å; N250-G285 PolarHBondContact N-O 3Å; N250-G285 PolarHBondContact ND2-O 3.44Å; N250-E286 VanDerWaalsContact ND2-C 3.35Å; N250-E286 PolarHBondContact ND2-N 3.18Å; N250-E286 VanDerWaalsContact ND2-N 3.17Å; N250-R287 VanDerWaalsContact OD1-CG 3.3Å; N250-R287 WeakPolarHBondContact OD1-CG 3.25Å; N250-R287 PolarHBondContact OD1-NE 3.47Å |
| 251 | D | 81.8 | Confident | 81.2 | Confident | 126 Ų | 126 | 70.5 Ų | 70.5 | 67% | 0.674 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | 175.5 | -167.1 | -105.6 | 0 | 0 | 0 | 111.9 | P249 | P249-D251 PolarHBondContact O-N 3.3Å |
| 252 | L | 80.9 | Confident | 82 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -97.9 | -20.2 | -172.3 | -54.3 | 178.1 | 0 | 0 | 0 | 113.4 | P249 G254 C255 V256 L309 A312 | P249-L252 PolarHBondContact O-N 2.98Å; P249-L252 VanDerWaalsContact O-N 3.09Å; L252-G254 PolarHBondContact O-N 3.29Å; L252-C255 WeakPolarHBondContact O-CB 3.28Å; L252-C255 PolarHBondContact O-N 3.46Å; L252-V256 PolarHBondContact O-N 3.42Å; L252-L309 HydrophobicContact CB-CD2 3.36Å; L252-L309 HydrophobicContact CD1-CD2 4.25Å; L252-L309 HydrophobicContact CG-CD2 4.46Å; L252-A312 HydrophobicContact CD2-CB 3.93Å |
| 253 | I | 82.5 | Confident | 82.4 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.9 | -29.9 | 178.9 | -166 | 65.9 | 0 | 0 | 0 | 112.5 | V248 P249 N250 C255 V256 I257 V289 | V248-I253 HydrophobicContact CB-CD1 4Å; V248-I253 HydrophobicContact CG1-CB 4.01Å; V248-I253 HydrophobicContact CG1-CD1 3.7Å; V248-I253 HydrophobicContact CG1-CG1 4.42Å; V248-I253 HydrophobicContact CG2-CD1 4.45Å; P249-I253 PolarHBondContact O-N 2.92Å; N250-I253 WeakPolarHBondContact O-CG2 3.48Å; I253-C255 PolarHBondContact O-N 3.17Å; I253-V256 HydrophobicContact CD1-CB 4.25Å; I253-V256 HydrophobicContact CD1-CG1 4.48Å; I253-V256 PolarHBondContact O-N 3.19Å; I253-I257 HydrophobicContact CG1-CD1 3.95Å; I253-I257 HydrophobicContact CG1-CG1 4.32Å; I253-I257 WeakPolarHBondContact O-CG1 3.22Å; I253-I257 PolarHBondContact O-N 3.1Å; I253-V289 HydrophobicContact CD1-CG2 4.02Å |
| 254 | G | 81 | Confident | 82.8 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.6 | -34.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L252 G258 | L252-G254 PolarHBondContact O-N 3.29Å; G254-G258 PolarHBondContact O-N 2.9Å |
| 255 | C | 79.9 | Confident | 83.1 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76 | -34 | 176.7 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | L252 I253 A312 | L252-C255 WeakPolarHBondContact O-CB 3.28Å; L252-C255 PolarHBondContact O-N 3.46Å; I253-C255 PolarHBondContact O-N 3.17Å; C255-A312 HydrophobicContact CB-CB 3.57Å; C255-A312 VanDerWaalsContact SG-CB 3.57Å |
| 256 | V | 83.3 | Confident | 83.3 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | L252 I253 I264 I267 I305 C308 L309 | L252-V256 PolarHBondContact O-N 3.42Å; I253-V256 HydrophobicContact CD1-CB 4.25Å; I253-V256 HydrophobicContact CD1-CG1 4.48Å; I253-V256 PolarHBondContact O-N 3.19Å; V256-I264 PolarHBondContact O-N 3.49Å; V256-I267 HydrophobicContact CG1-CD1 4.33Å; V256-I305 HydrophobicContact CG1-CB 4.29Å; V256-I305 HydrophobicContact CG1-CG1 3.96Å; V256-I305 HydrophobicContact CG1-CG2 3.71Å; V256-I305 HydrophobicContact CG2-CG2 3.99Å; V256-C308 HydrophobicContact CG2-CB 4.14Å; V256-L309 HydrophobicContact CG2-CD2 3.46Å; V256-L309 VanDerWaalsContact CG2-CD2 3.46Å; V256-L309 HydrophobicContact CG2-CG 3.78Å |
| 257 | I | 86.3 | Confident | 83.5 | Confident | 46 Ų | 46 | 62.5 Ų | 62.5 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.4 | -45.5 | 175.1 | -65.5 | 168.6 | 0 | 0 | 0 | 110.1 | I253 G261 K263 I264 | I253-I257 HydrophobicContact CG1-CD1 3.95Å; I253-I257 HydrophobicContact CG1-CG1 4.32Å; I253-I257 WeakPolarHBondContact O-CG1 3.22Å; I253-I257 PolarHBondContact O-N 3.1Å; I257-G261 CarbonylContact O-C 3.58Å; I257-G261 WeakPolarHBondContact O-CA 3.45Å; I257-K263 WeakPolarHBondContact O-CB 3.47Å; I257-K263 PolarHBondContact O-N 3.42Å; I257-K263 VanDerWaalsContact O-N 3.11Å; I257-I264 HydrophobicContact CB-CG2 4.36Å; I257-I264 HydrophobicContact CG2-CG2 4.1Å; I257-I264 PolarHBondContact O-N 3.49Å; I257-I264 VanDerWaalsContact O-N 3.13Å |
| 258 | G | 83.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | trans | 75.3 | 171.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | G254 Q260 G261 | G254-G258 PolarHBondContact O-N 2.9Å; G258-Q260 PolarHBondContact O-N 3.15Å; G258-G261 PolarHBondContact O-N 2.99Å; G258-G261 VanDerWaalsContact O-N 3.07Å | ||
| 259 | R | 83.1 | Confident | 84.2 | Confident | 239 Ų | 239 | 71.1 Ų | 71.1 | 90% | 0.902 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -56.7 | 127.6 | 176.2 | -64.5 | -179.1 | -176.7 | 169 | 1.6 | 109.2 | G261 S262 | R259-G261 PolarHBondContact O-N 3.41Å; R259-S262 PolarHBondContact O-N 3.33Å; R259-S262 PolarHBondContact O-OG 2.67Å |
| 260 | Q | 80.1 | Confident | 84.5 | Confident | 202 Ų | 202 | 73 Ų | 73 | 94% | 0.944 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | 55.1 | 18.8 | -177.4 | -151.4 | -173.8 | 90.6 | 0 | 0 | 115.5 | G258 S262 | G258-Q260 PolarHBondContact O-N 3.15Å; Q260-S262 VanDerWaalsContact C-N 3.29Å; Q260-S262 PolarHBondContact O-N 3.15Å |
| 261 | G | 85.1 | Confident | 84.7 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 19% | 0.186 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | 77.3 | 8.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I257 G258 R259 K263 I264 S265 | I257-G261 CarbonylContact O-C 3.58Å; I257-G261 WeakPolarHBondContact O-CA 3.45Å; G258-G261 PolarHBondContact O-N 2.99Å; G258-G261 VanDerWaalsContact O-N 3.07Å; R259-G261 PolarHBondContact O-N 3.41Å; G261-K263 VanDerWaalsContact C-N 3.27Å; G261-K263 PolarHBondContact O-N 3Å; G261-I264 WeakPolarHBondContact O-CG2 3.43Å; G261-I264 PolarHBondContact O-N 3.01Å; G261-S265 WeakPolarHBondContact O-CB 3.49Å; G261-S265 PolarHBondContact O-N 3.39Å |
| 262 | S | 85.8 | Confident | 84.8 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 54% | 0.538 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | -177.9 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | R259 Q260 S265 E266 | R259-S262 PolarHBondContact O-N 3.33Å; R259-S262 PolarHBondContact O-OG 2.67Å; Q260-S262 VanDerWaalsContact C-N 3.29Å; Q260-S262 PolarHBondContact O-N 3.15Å; S262-S265 PolarHBondContact O-N 3Å; S262-E266 WeakPolarHBondContact O-CB 3.45Å; S262-E266 PolarHBondContact O-N 2.88Å |
| 263 | K | 86.3 | Confident | 85.2 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73 | -44.2 | -177.3 | -163.2 | 73 | -166.8 | 162.3 | 0 | 111.6 | I257 G261 S265 E266 I267 | I257-K263 WeakPolarHBondContact O-CB 3.47Å; I257-K263 PolarHBondContact O-N 3.42Å; I257-K263 VanDerWaalsContact O-N 3.11Å; G261-K263 VanDerWaalsContact C-N 3.27Å; G261-K263 PolarHBondContact O-N 3Å; K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.49Å; K263-E266 WeakPolarHBondContact CD-OE2 3.5Å; K263-E266 WeakPolarHBondContact CE-OE2 3.45Å; K263-E266 IonicContact NZ-OE2 2.85Å; K263-E266 PolarHBondContact NZ-OE2 3.48Å; K263-E266 WeakPolarHBondContact O-CB 3.21Å; K263-E266 PolarHBondContact O-N 3.36Å; K263-I267 HydrophobicContact CG-CD1 4.29Å; K263-I267 WeakPolarHBondContact O-CG1 3.49Å; K263-I267 PolarHBondContact O-N 3.43Å |
| 264 | I | 89.1 | Confident | 85.4 | Confident | 12 Ų | 12 | 73 Ų | 73 | 6% | 0.062 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.1 | -31.5 | 174.4 | -175.5 | 60.4 | 0 | 0 | 0 | 112.5 | V256 I257 G261 I267 R268 I275 I277 | V256-I264 PolarHBondContact O-N 3.49Å; I257-I264 HydrophobicContact CB-CG2 4.36Å; I257-I264 HydrophobicContact CG2-CG2 4.1Å; I257-I264 PolarHBondContact O-N 3.49Å; I257-I264 VanDerWaalsContact O-N 3.13Å; G261-I264 WeakPolarHBondContact O-CG2 3.43Å; G261-I264 PolarHBondContact O-N 3.01Å; I264-I267 HydrophobicContact CD1-CB 4.47Å; I264-I267 PolarHBondContact O-N 2.99Å; I264-R268 WeakPolarHBondContact O-CG 3.44Å; I264-R268 PolarHBondContact O-N 3.43Å; I264-I275 HydrophobicContact CD1-CB 4.42Å; I264-I275 HydrophobicContact CD1-CD1 4.26Å; I264-I275 HydrophobicContact CD1-CG2 3.93Å; I264-I277 HydrophobicContact CD1-CD1 4.26Å; I264-I277 HydrophobicContact CG1-CD1 3.88Å |
| 265 | S | 87.2 | Confident | 85.8 | Confident | 71 Ų | 71 | 71 Ų | 71 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 172.8 | -161 | 0 | 0 | 0 | 0 | 111.6 | G261 S262 K263 I267 R268 Q269 | G261-S265 WeakPolarHBondContact O-CB 3.49Å; G261-S265 PolarHBondContact O-N 3.39Å; S262-S265 PolarHBondContact O-N 3Å; K263-S265 VanDerWaalsContact C-N 3.3Å; K263-S265 PolarHBondContact O-N 3.49Å; S265-I267 PolarHBondContact O-N 3.18Å; S265-R268 PolarHBondContact O-N 3.19Å; S265-Q269 WeakPolarHBondContact O-CB 3.25Å; S265-Q269 PolarHBondContact O-N 3.41Å |
| 266 | E | 86.9 | Confident | 86 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 173 | -178.5 | -176.8 | -145.1 | 0 | 0 | 111.6 | S262 K263 R268 Q269 M270 | S262-E266 WeakPolarHBondContact O-CB 3.45Å; S262-E266 PolarHBondContact O-N 2.88Å; K263-E266 WeakPolarHBondContact CD-OE2 3.5Å; K263-E266 WeakPolarHBondContact CE-OE2 3.45Å; K263-E266 IonicContact NZ-OE2 2.85Å; K263-E266 PolarHBondContact NZ-OE2 3.48Å; K263-E266 WeakPolarHBondContact O-CB 3.21Å; K263-E266 PolarHBondContact O-N 3.36Å; E266-R268 PolarHBondContact O-N 3.2Å; E266-Q269 WeakPolarHBondContact O-CB 3.39Å; E266-Q269 PolarHBondContact O-N 3.19Å; E266-Q269 VanDerWaalsContact O-N 3.15Å; E266-M270 HydrophobicContact CG-CG 4.23Å; E266-M270 HydrophobicContact CG-SD 3.75Å; E266-M270 WeakPolarHBondContact O-CB 3.39Å; E266-M270 VanDerWaalsContact O-CG 3.29Å; E266-M270 WeakPolarHBondContact O-CG 3.14Å; E266-M270 PolarHBondContact O-N 2.93Å |
| 267 | I | 88.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.3 | -66.1 | 167.3 | 0 | 0 | 0 | 111.7 | V256 K263 I264 S265 S271 I275 L304 I305 | V256-I267 HydrophobicContact CG1-CD1 4.33Å; K263-I267 HydrophobicContact CG-CD1 4.29Å; K263-I267 WeakPolarHBondContact O-CG1 3.49Å; K263-I267 PolarHBondContact O-N 3.43Å; I264-I267 HydrophobicContact CD1-CB 4.47Å; I264-I267 PolarHBondContact O-N 2.99Å; S265-I267 PolarHBondContact O-N 3.18Å; I267-S271 VanDerWaalsContact O-CB 3.29Å; I267-S271 WeakPolarHBondContact O-CB 3.29Å; I267-S271 PolarHBondContact O-N 2.96Å; I267-S271 PolarHBondContact O-OG 2.72Å; I267-I275 HydrophobicContact CG2-CD1 3.68Å; I267-L304 HydrophobicContact CB-CD1 4.46Å; I267-L304 HydrophobicContact CG1-CB 4.07Å; I267-L304 HydrophobicContact CG1-CD1 4.43Å; I267-L304 HydrophobicContact CG2-CB 3.94Å; I267-L304 HydrophobicContact CG2-CD1 4.13Å; I267-I305 HydrophobicContact CD1-CG1 4.2Å; I267-I305 HydrophobicContact CG2-CD1 4.43Å; I267-I305 HydrophobicContact CG2-CG1 4.01Å |
| 268 | R | 88.2 | Confident | 85.6 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 40% | 0.404 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.1 | -72.8 | 169.2 | 175.3 | 172 | -0.3 | 111.3 | I264 S265 E266 S271 G272 I275 | I264-R268 WeakPolarHBondContact O-CG 3.44Å; I264-R268 PolarHBondContact O-N 3.43Å; S265-R268 PolarHBondContact O-N 3.19Å; E266-R268 PolarHBondContact O-N 3.2Å; R268-S271 PolarHBondContact O-OG 3.37Å; R268-G272 PolarHBondContact O-N 3.47Å; R268-I275 HydrophobicContact CG-CB 4.02Å; R268-I275 HydrophobicContact CG-CD1 3.83Å; R268-I275 HydrophobicContact CG-CG1 4.22Å; R268-I275 VanDerWaalsContact CZ-O 3.27Å; R268-I275 PolarHBondContact NE-O 3.22Å; R268-I275 PolarHBondContact NH2-O 3Å |
| 269 | Q | 88.7 | Confident | 85.2 | Confident | 163 Ų | 163 | 81.9 Ų | 81.9 | 76% | 0.762 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.2 | -41.1 | 179.5 | -172.9 | 65.5 | 54.7 | 0 | 0 | 112.8 | S265 E266 | S265-Q269 WeakPolarHBondContact O-CB 3.25Å; S265-Q269 PolarHBondContact O-N 3.41Å; E266-Q269 WeakPolarHBondContact O-CB 3.39Å; E266-Q269 PolarHBondContact O-N 3.19Å; E266-Q269 VanDerWaalsContact O-N 3.15Å |
| 270 | M | 86.4 | Confident | 84.1 | Confident | 92 Ų | 92 | 75.3 Ų | 75.3 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -75.2 | -36.7 | -179.3 | -69.9 | 178.1 | 75.6 | 0 | 0 | 113.1 | E266 L304 | E266-M270 HydrophobicContact CG-CG 4.23Å; E266-M270 HydrophobicContact CG-SD 3.75Å; E266-M270 WeakPolarHBondContact O-CB 3.39Å; E266-M270 VanDerWaalsContact O-CG 3.29Å; E266-M270 WeakPolarHBondContact O-CG 3.14Å; E266-M270 PolarHBondContact O-N 2.93Å; M270-L304 HydrophobicContact CB-CD1 3.75Å; M270-L304 HydrophobicContact CE-CD1 4.42Å; M270-L304 HydrophobicContact CE-CD2 4.19Å; M270-L304 HydrophobicContact SD-CD1 4.19Å; M270-L304 HydrophobicContact SD-CD2 4.48Å |
| 271 | S | 85.3 | Confident | 82.8 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -83.2 | -25.5 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | I267 R268 A273 S297 | I267-S271 VanDerWaalsContact O-CB 3.29Å; I267-S271 WeakPolarHBondContact O-CB 3.29Å; I267-S271 PolarHBondContact O-N 2.96Å; I267-S271 PolarHBondContact O-OG 2.72Å; R268-S271 PolarHBondContact O-OG 3.37Å; S271-A273 PolarHBondContact O-N 2.95Å; S271-A273 PolarHBondContact OG-N 3.49Å; S271-S297 WeakPolarHBondContact O-CA 3.38Å; S271-S297 WeakPolarHBondContact O-CB 3.35Å; S271-S297 PolarHBondContact O-OG 3.26Å |
| 272 | G | 84.1 | Confident | 81.3 | Confident | 61 Ų | 61 | 77.5 Ų | 77.5 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | trans | 63.1 | 14.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R268 | R268-G272 PolarHBondContact O-N 3.47Š| ||
| 273 | A | 88 | Confident | 79.8 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 4% | 0.041 | 43% | 0.433 | C | S | . | . | trans | -96.4 | 143.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | S271 I275 I291 A301 | S271-A273 PolarHBondContact O-N 2.95Å; S271-A273 PolarHBondContact OG-N 3.49Å; A273-I275 HydrophobicContact CB-CG1 4.34Å; A273-I275 PolarHBondContact O-N 3.04Å; A273-I291 HydrophobicContact CB-CG2 3.56Å; A273-A301 HydrophobicContact CB-CB 3.97Å | ||
| 274 | H | 87.3 | Confident | 78.3 | Confident | 128 Ų | 128 | 76.4 Ų | 76.4 | 59% | 0.593 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 97.1 | 175.1 | -174.5 | -80.6 | 0 | 0 | 0 | 110.3 | T292 | H274-T292 WeakPolarHBondContact CB-O 3.35Å; H274-T292 PolarHBondContact N-O 2.83Å; H274-T292 PolarHBondContact O-N 3.39Å |
| 275 | I | 88.9 | Confident | 77.2 | Confident | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.01 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115.1 | -175.3 | -55.7 | 160.5 | 0 | 0 | 0 | 110.7 | I264 I267 R268 A273 I277 V289 T290 I291 A301 I305 | I264-I275 HydrophobicContact CD1-CB 4.42Å; I264-I275 HydrophobicContact CD1-CD1 4.26Å; I264-I275 HydrophobicContact CD1-CG2 3.93Å; I267-I275 HydrophobicContact CG2-CD1 3.68Å; R268-I275 HydrophobicContact CG-CB 4.02Å; R268-I275 HydrophobicContact CG-CD1 3.83Å; R268-I275 HydrophobicContact CG-CG1 4.22Å; R268-I275 VanDerWaalsContact CZ-O 3.27Å; R268-I275 PolarHBondContact NE-O 3.22Å; R268-I275 PolarHBondContact NH2-O 3Å; A273-I275 HydrophobicContact CB-CG1 4.34Å; A273-I275 PolarHBondContact O-N 3.04Å; I275-I277 HydrophobicContact CG2-CD1 4.38Å; I275-V289 HydrophobicContact CG2-CG1 3.57Å; I275-T290 CarbonylContact C-O 3.56Å; I275-T290 WeakPolarHBondContact CA-O 3.35Å; I275-I291 HydrophobicContact CG1-CG1 4.25Å; I275-I291 HydrophobicContact CG1-CG2 4.06Å; I275-I291 HydrophobicContact CG2-CG1 4.42Å; I275-A301 HydrophobicContact CD1-CB 3.92Å; I275-A301 HydrophobicContact CG1-CB 4.33Å; I275-I305 HydrophobicContact CD1-CD1 4.42Å; I275-I305 HydrophobicContact CG2-CD1 4.43Å |
| 276 | K | 84.5 | Confident | 76.8 | Confident | 139 Ų | 139 | 79.7 Ų | 79.7 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.2 | 177.9 | -173.5 | 174.9 | 177.1 | -179.1 | 0 | 109.7 | T290 | K276-T290 PolarHBondContact N-O 3.01Å; K276-T290 PolarHBondContact O-N 3.38Å |
| 277 | I | 85.3 | Confident | 76.6 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 24% | 0.241 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.1 | 178 | -57.6 | 89.9 | 0 | 0 | 0 | 107.4 | I264 I275 V289 | I264-I277 HydrophobicContact CD1-CD1 4.26Å; I264-I277 HydrophobicContact CG1-CD1 3.88Å; I275-I277 HydrophobicContact CG2-CD1 4.38Å; I277-V289 HydrophobicContact CG1-CG1 4.48Å; I277-V289 HydrophobicContact CG1-CG2 4.35Å; I277-V289 HydrophobicContact CG2-CG2 4.43Å |
| 278 | G | 75.9 | Confident | 76.1 | Confident | 29 Ų | 29 | 82.5 Ų | 82.5 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 149.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H288 | G278-H288 PolarHBondContact N-O 3.28Š|
| 279 | N | 73.9 | Confident | 76.1 | Confident | 151 Ų | 151 | 77.5 Ų | 77.5 | 81% | 0.807 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 153.8 | 172.5 | -169.9 | 30.8 | 0 | 0 | 0 | 110.2 | A281 | N279-A281 PolarHBondContact O-N 2.8Š|
| 280 | Q | 60.3 | Low | 75.9 | Confident | 101 Ų | 101 | 72.2 Ų | 72.2 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | trans | -66 | 102.8 | 171.6 | -176.3 | 172.1 | -9.2 | 0 | 0 | 108.8 | ||||
| 281 | A | 52.9 | Low | 76.1 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | trans | -69.8 | 128.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | N279 G283 A284 | N279-A281 PolarHBondContact O-N 2.8Å; A281-G283 PolarHBondContact O-N 3.5Å; A281-A284 PolarHBondContact O-N 2.89Å | ||
| 282 | E | 53.1 | Low | 76.3 | Confident | 201 Ų | 201 | 69.7 Ų | 69.7 | 94% | 0.939 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 130.4 | 179.6 | -72.6 | -159.8 | 93.4 | 0 | 0 | 111.2 | ||
| 283 | G | 54.6 | Low | 76.5 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 93% | 0.928 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -19.8 | 175 | 0 | 0 | 0 | 0 | 0 | 116.5 | A281 | A281-G283 PolarHBondContact O-N 3.5Š|
| 284 | A | 55.7 | Low | 76.6 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | trans | -85.9 | 124.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N250 A281 E286 | N250-A284 PolarHBondContact ND2-O 3.03Å; N250-A284 VanDerWaalsContact ND2-O 3.1Å; A281-A284 PolarHBondContact O-N 2.89Å; A284-E286 PolarHBondContact O-N 3.08Å | ||
| 285 | G | 65.7 | Low | 76.4 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 58% | 0.577 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -64.3 | -6.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | N250 | N250-G285 PolarHBondContact N-O 3Å; N250-G285 PolarHBondContact ND2-O 3.44Å |
| 286 | E | 78.8 | Confident | 76.1 | Confident | 97 Ų | 97 | 71.1 Ų | 71.1 | 45% | 0.453 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 147.7 | -172.3 | -61.7 | 156.5 | 126.1 | 0 | 0 | 111.5 | L247 V248 N250 A284 | L247-E286 HydrophobicContact CB-CB 4.44Å; L247-E286 HydrophobicContact CD2-CB 4.1Å; V248-E286 CarbonylContact O-C 3.56Å; V248-E286 WeakPolarHBondContact O-CA 3.32Å; N250-E286 VanDerWaalsContact ND2-C 3.35Å; N250-E286 PolarHBondContact ND2-N 3.18Å; N250-E286 VanDerWaalsContact ND2-N 3.17Å; A284-E286 PolarHBondContact O-N 3.08Å |
| 287 | R | 81.3 | Confident | 76.3 | Confident | 54 Ų | 54 | 65.6 Ų | 65.6 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.5 | 170.5 | -60.6 | -163.1 | -174.5 | 178.2 | -1.6 | 110.1 | V248 N250 | V248-R287 PolarHBondContact N-O 3.47Å; V248-R287 PolarHBondContact O-N 3.36Å; N250-R287 VanDerWaalsContact OD1-CG 3.3Å; N250-R287 WeakPolarHBondContact OD1-CG 3.25Å; N250-R287 PolarHBondContact OD1-NE 3.47Å |
| 288 | H | 80.3 | Confident | 76.5 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 44% | 0.44 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 131.8 | 175.2 | -64.2 | 67.8 | 0 | 0 | 0 | 109.5 | G278 | G278-H288 PolarHBondContact N-O 3.28Å |
| 289 | V | 86.6 | Confident | 76.9 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.012 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.9 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | E245 F246 V248 I253 I275 I277 I291 I305 | E245-V289 WeakPolarHBondContact CA-O 3.43Å; F246-V289 HydrophobicContact CD1-CB 4.19Å; F246-V289 VanDerWaalsContact CD1-O 3.3Å; F246-V289 WeakPolarHBondContact CD1-O 3.37Å; F246-V289 HydrophobicContact CE1-CB 3.59Å; F246-V289 HydrophobicContact CE1-CG1 3.64Å; F246-V289 HydrophobicContact CZ-CB 3.84Å; F246-V289 HydrophobicContact CZ-CG1 3.94Å; F246-V289 HydrophobicContact CZ-CG2 4.46Å; F246-V289 PolarHBondContact N-O 3.22Å; F246-V289 VanDerWaalsContact N-O 3.07Å; F246-V289 PolarHBondContact O-N 3.5Å; V248-V289 HydrophobicContact CB-CG2 4.5Å; V248-V289 HydrophobicContact CG2-CG2 3.95Å; I253-V289 HydrophobicContact CD1-CG2 4.02Å; I275-V289 HydrophobicContact CG2-CG1 3.57Å; I277-V289 HydrophobicContact CG1-CG1 4.48Å; I277-V289 HydrophobicContact CG1-CG2 4.35Å; I277-V289 HydrophobicContact CG2-CG2 4.43Å; V289-I291 HydrophobicContact CG1-CG1 4.46Å; V289-I305 HydrophobicContact CG1-CD1 4.43Å |
| 290 | T | 86.1 | Confident | 77.6 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.2 | 177.4 | -45.6 | 0 | 0 | 0 | 0 | 109.1 | I275 K276 | I275-T290 CarbonylContact C-O 3.56Å; I275-T290 WeakPolarHBondContact CA-O 3.35Å; K276-T290 PolarHBondContact N-O 3.01Å; K276-T290 PolarHBondContact O-N 3.38Å |
| 291 | I | 90.5 | Very high | 78.9 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.5 | 176.1 | -49.7 | 177.5 | 0 | 0 | 0 | 108.2 | S243 Q244 F246 A273 I275 V289 I298 A301 Q302 I305 | S243-I291 CarbonylContact C-O 3.58Å; S243-I291 WeakPolarHBondContact CA-O 3.35Å; Q244-I291 PolarHBondContact N-O 2.97Å; Q244-I291 PolarHBondContact O-N 2.89Å; F246-I291 HydrophobicContact CD1-CD1 4.26Å; F246-I291 HydrophobicContact CD1-CG1 4.5Å; F246-I291 HydrophobicContact CE1-CD1 3.55Å; F246-I291 HydrophobicContact CE1-CG1 3.86Å; F246-I291 HydrophobicContact CZ-CD1 4.31Å; A273-I291 HydrophobicContact CB-CG2 3.56Å; I275-I291 HydrophobicContact CG1-CG1 4.25Å; I275-I291 HydrophobicContact CG1-CG2 4.06Å; I275-I291 HydrophobicContact CG2-CG1 4.42Å; V289-I291 HydrophobicContact CG1-CG1 4.46Å; I291-I298 HydrophobicContact CB-CG2 4.48Å; I291-I298 HydrophobicContact CG2-CB 4.36Å; I291-I298 HydrophobicContact CG2-CG1 3.98Å; I291-I298 HydrophobicContact CG2-CG2 4.36Å; I291-A301 HydrophobicContact CD1-CB 3.82Å; I291-A301 HydrophobicContact CG2-CB 3.89Å; I291-Q302 HydrophobicContact CD1-CB 4.46Å; I291-I305 HydrophobicContact CD1-CD1 4.17Å |
| 292 | T | 88.3 | Confident | 80.6 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 27% | 0.27 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.2 | 174.7 | -58.6 | 0 | 0 | 0 | 0 | 110 | S242 S243 H274 | S242-T292 WeakPolarHBondContact O-CA 3.42Å; S243-T292 WeakPolarHBondContact OG-CG2 3.44Å; S243-T292 PolarHBondContact OG-OG1 3.31Å; H274-T292 WeakPolarHBondContact CB-O 3.35Å; H274-T292 PolarHBondContact N-O 2.83Å; H274-T292 PolarHBondContact O-N 3.39Å |
| 293 | G | 89.4 | Confident | 82.2 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | -165.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T241 S242 I298 | T241-G293 CarbonylContact C-O 3.59Å; T241-G293 WeakPolarHBondContact CA-O 3.48Å; S242-G293 PolarHBondContact N-O 3.49Å; S242-G293 PolarHBondContact O-N 2.91Å; G293-I298 WeakPolarHBondContact O-CD1 3.47Å |
| 294 | S | 88.3 | Confident | 83.7 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | trans | -64.3 | 153.3 | 170.1 | 84 | 0 | 0 | 0 | 0 | 110.5 | V296 S297 I298 | S294-V296 PolarHBondContact O-N 3.34Å; S294-V296 PolarHBondContact OG-N 3.31Å; S294-S297 WeakPolarHBondContact O-CB 3.21Å; S294-S297 PolarHBondContact O-N 3.18Å; S294-S297 WeakPolarHBondContact OG-CB 3.46Å; S294-S297 PolarHBondContact OG-N 3.06Å; S294-S297 PolarHBondContact OG-OG 3.25Å; S294-I298 WeakPolarHBondContact O-CG1 3.44Å; S294-I298 PolarHBondContact O-N 3.13Å | ||
| 295 | P | 83 | Confident | 85.2 | Confident | 84 Ų | 84 | 47.8 Ų | 47.8 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.6 | -31.9 | 176.8 | 22.2 | -33.4 | 0 | 0 | 0 | 112.8 | A299 | P295-A299 WeakPolarHBondContact O-CB 3.22Å; P295-A299 PolarHBondContact O-N 2.9Å; P295-A299 VanDerWaalsContact O-N 3.08Å |
| 296 | V | 84.1 | Confident | 86.2 | Confident | 103 Ų | 103 | 48.4 Ų | 48.4 | 62% | 0.624 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.8 | -45.6 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 111 | S294 I298 A299 L300 | S294-V296 PolarHBondContact O-N 3.34Å; S294-V296 PolarHBondContact OG-N 3.31Å; V296-I298 PolarHBondContact O-N 3.11Å; V296-A299 PolarHBondContact O-N 3.44Å; V296-L300 WeakPolarHBondContact O-CB 3.33Å; V296-L300 PolarHBondContact O-N 3.31Å |
| 297 | S | 87.9 | Confident | 86.5 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | S271 S294 L300 A301 | S271-S297 WeakPolarHBondContact O-CA 3.38Å; S271-S297 WeakPolarHBondContact O-CB 3.35Å; S271-S297 PolarHBondContact O-OG 3.26Å; S294-S297 WeakPolarHBondContact O-CB 3.21Å; S294-S297 PolarHBondContact O-N 3.18Å; S294-S297 WeakPolarHBondContact OG-CB 3.46Å; S294-S297 PolarHBondContact OG-N 3.06Å; S294-S297 PolarHBondContact OG-OG 3.25Å; S297-L300 PolarHBondContact O-N 3.07Å; S297-A301 WeakPolarHBondContact O-CB 3.32Å; S297-A301 PolarHBondContact O-N 2.97Å |
| 298 | I | 88.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 177.8 | -64.9 | 163.2 | 0 | 0 | 0 | 110.6 | S242 Q244 I291 G293 S294 V296 L300 A301 Q302 | S242-I298 WeakPolarHBondContact O-CD1 3.46Å; Q244-I298 HydrophobicContact CB-CG2 3.87Å; I291-I298 HydrophobicContact CB-CG2 4.48Å; I291-I298 HydrophobicContact CG2-CB 4.36Å; I291-I298 HydrophobicContact CG2-CG1 3.98Å; I291-I298 HydrophobicContact CG2-CG2 4.36Å; G293-I298 WeakPolarHBondContact O-CD1 3.47Å; S294-I298 WeakPolarHBondContact O-CG1 3.44Å; S294-I298 PolarHBondContact O-N 3.13Å; V296-I298 PolarHBondContact O-N 3.11Å; I298-L300 VanDerWaalsContact C-N 3.31Å; I298-L300 PolarHBondContact O-N 3.04Å; I298-A301 PolarHBondContact O-N 3.36Å; I298-Q302 WeakPolarHBondContact O-CB 3.38Å; I298-Q302 PolarHBondContact O-N 2.94Å |
| 299 | A | 85.7 | Confident | 86.5 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P295 V296 Q302 Y303 | P295-A299 WeakPolarHBondContact O-CB 3.22Å; P295-A299 PolarHBondContact O-N 2.9Å; P295-A299 VanDerWaalsContact O-N 3.08Å; V296-A299 PolarHBondContact O-N 3.44Å; A299-Q302 PolarHBondContact O-N 3.17Å; A299-Y303 WeakPolarHBondContact O-CB 3.39Å; A299-Y303 PolarHBondContact O-N 3.06Å |
| 300 | L | 87.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 176.6 | -154.6 | 173.6 | 0 | 0 | 0 | 111.2 | V296 S297 I298 Y303 L304 | V296-L300 WeakPolarHBondContact O-CB 3.33Å; V296-L300 PolarHBondContact O-N 3.31Å; S297-L300 PolarHBondContact O-N 3.07Å; I298-L300 VanDerWaalsContact C-N 3.31Å; I298-L300 PolarHBondContact O-N 3.04Å; L300-Y303 PolarHBondContact O-N 3.06Å; L300-L304 HydrophobicContact CD2-CD1 3.39Å; L300-L304 HydrophobicContact CD2-CG 3.8Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 2.94Å |
| 301 | A | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A273 I275 I291 S297 I298 Y303 L304 I305 | A273-A301 HydrophobicContact CB-CB 3.97Å; I275-A301 HydrophobicContact CD1-CB 3.92Å; I275-A301 HydrophobicContact CG1-CB 4.33Å; I291-A301 HydrophobicContact CD1-CB 3.82Å; I291-A301 HydrophobicContact CG2-CB 3.89Å; S297-A301 WeakPolarHBondContact O-CB 3.32Å; S297-A301 PolarHBondContact O-N 2.97Å; I298-A301 PolarHBondContact O-N 3.36Å; A301-Y303 PolarHBondContact O-N 3.01Å; A301-L304 PolarHBondContact O-N 3.45Å; A301-I305 VanDerWaalsContact O-CG1 3.25Å; A301-I305 WeakPolarHBondContact O-CG1 3.49Å; A301-I305 PolarHBondContact O-N 3.25Å |
| 302 | Q | 88.8 | Confident | 84.4 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.341 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.7 | -173.4 | -178.6 | 7.8 | 0 | 0 | 111.4 | I291 I298 A299 I305 T306 | I291-Q302 HydrophobicContact CD1-CB 4.46Å; I298-Q302 WeakPolarHBondContact O-CB 3.38Å; I298-Q302 PolarHBondContact O-N 2.94Å; A299-Q302 PolarHBondContact O-N 3.17Å; Q302-I305 PolarHBondContact O-N 2.8Å; Q302-T306 WeakPolarHBondContact O-CB 3.5Å; Q302-T306 PolarHBondContact O-N 3Å; Q302-T306 PolarHBondContact O-OG1 3.45Å |
| 303 | Y | 85.5 | Confident | 83.3 | Confident | 130 Ų | 130 | 54 Ų | 54 | 51% | 0.51 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 175.3 | 175.2 | -100.6 | 0 | 0 | 0 | 112.1 | A299 L300 A301 I305 T306 A307 | A299-Y303 WeakPolarHBondContact O-CB 3.39Å; A299-Y303 PolarHBondContact O-N 3.06Å; L300-Y303 PolarHBondContact O-N 3.06Å; A301-Y303 PolarHBondContact O-N 3.01Å; Y303-I305 VanDerWaalsContact C-N 3.31Å; Y303-I305 PolarHBondContact O-N 2.98Å; Y303-T306 PolarHBondContact O-N 3.21Å; Y303-A307 WeakPolarHBondContact O-CB 3.32Å; Y303-A307 PolarHBondContact O-N 3.05Å |
| 304 | L | 86.9 | Confident | 81.6 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 179.7 | -73.9 | 174.4 | 0 | 0 | 0 | 112.7 | I267 M270 L300 A301 C308 | I267-L304 HydrophobicContact CB-CD1 4.46Å; I267-L304 HydrophobicContact CG1-CB 4.07Å; I267-L304 HydrophobicContact CG1-CD1 4.43Å; I267-L304 HydrophobicContact CG2-CB 3.94Å; I267-L304 HydrophobicContact CG2-CD1 4.13Å; M270-L304 HydrophobicContact CB-CD1 3.75Å; M270-L304 HydrophobicContact CE-CD1 4.42Å; M270-L304 HydrophobicContact CE-CD2 4.19Å; M270-L304 HydrophobicContact SD-CD1 4.19Å; M270-L304 HydrophobicContact SD-CD2 4.48Å; L300-L304 HydrophobicContact CD2-CD1 3.39Å; L300-L304 HydrophobicContact CD2-CG 3.8Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 2.94Å; A301-L304 PolarHBondContact O-N 3.45Å; L304-C308 PolarHBondContact O-N 3.43Å; L304-C308 VanDerWaalsContact O-N 3.1Å; L304-C308 PolarHBondContact O-SG 2.85Å |
| 305 | I | 88.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 176.9 | -65.3 | 166.2 | 0 | 0 | 0 | 110 | F246 V256 I267 I275 V289 I291 A301 Q302 Y303 A307 C308 L309 | F246-I305 HydrophobicContact CE1-CD1 4.28Å; F246-I305 HydrophobicContact CE2-CG2 3.8Å; F246-I305 HydrophobicContact CZ-CB 4.16Å; F246-I305 HydrophobicContact CZ-CD1 3.71Å; F246-I305 HydrophobicContact CZ-CG2 3.7Å; V256-I305 HydrophobicContact CG1-CB 4.29Å; V256-I305 HydrophobicContact CG1-CG1 3.96Å; V256-I305 HydrophobicContact CG1-CG2 3.71Å; V256-I305 HydrophobicContact CG2-CG2 3.99Å; I267-I305 HydrophobicContact CD1-CG1 4.2Å; I267-I305 HydrophobicContact CG2-CD1 4.43Å; I267-I305 HydrophobicContact CG2-CG1 4.01Å; I275-I305 HydrophobicContact CD1-CD1 4.42Å; I275-I305 HydrophobicContact CG2-CD1 4.43Å; V289-I305 HydrophobicContact CG1-CD1 4.43Å; I291-I305 HydrophobicContact CD1-CD1 4.17Å; A301-I305 VanDerWaalsContact O-CG1 3.25Å; A301-I305 WeakPolarHBondContact O-CG1 3.49Å; A301-I305 PolarHBondContact O-N 3.25Å; Q302-I305 PolarHBondContact O-N 2.8Å; Y303-I305 VanDerWaalsContact C-N 3.31Å; Y303-I305 PolarHBondContact O-N 2.98Å; I305-A307 PolarHBondContact O-N 2.88Å; I305-C308 PolarHBondContact O-N 3.09Å; I305-L309 HydrophobicContact CG2-CD1 4.22Å; I305-L309 HydrophobicContact CG2-CG 4.49Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 2.8Å |
| 306 | T | 86.6 | Confident | 78.4 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 43% | 0.429 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | Q302 Y303 C308 L309 E310 | Q302-T306 WeakPolarHBondContact O-CB 3.5Å; Q302-T306 PolarHBondContact O-N 3Å; Q302-T306 PolarHBondContact O-OG1 3.45Å; Y303-T306 PolarHBondContact O-N 3.21Å; T306-C308 VanDerWaalsContact C-N 3.33Å; T306-C308 PolarHBondContact O-N 2.98Å; T306-L309 WeakPolarHBondContact O-CB 3.42Å; T306-L309 PolarHBondContact O-N 3.3Å; T306-L309 VanDerWaalsContact O-N 3.15Å; T306-E310 PolarHBondContact O-N 3.39Å |
| 307 | A | 83.5 | Confident | 76.2 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y303 I305 E310 T311 | Y303-A307 WeakPolarHBondContact O-CB 3.32Å; Y303-A307 PolarHBondContact O-N 3.05Å; I305-A307 PolarHBondContact O-N 2.88Å; A307-E310 PolarHBondContact O-N 3.21Å; A307-T311 WeakPolarHBondContact O-CB 3.3Å; A307-T311 PolarHBondContact O-N 2.85Å; A307-T311 PolarHBondContact O-OG1 2.79Å |
| 308 | C | 80.8 | Confident | 73.6 | Confident | 18 Ų | 18 | 62 Ų | 62 | 12% | 0.122 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.6 | -37 | 173.4 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | V256 L304 I305 T306 A312 | V256-C308 HydrophobicContact CG2-CB 4.14Å; L304-C308 PolarHBondContact O-N 3.43Å; L304-C308 VanDerWaalsContact O-N 3.1Å; L304-C308 PolarHBondContact O-SG 2.85Å; I305-C308 PolarHBondContact O-N 3.09Å; T306-C308 VanDerWaalsContact C-N 3.33Å; T306-C308 PolarHBondContact O-N 2.98Å; C308-A312 WeakPolarHBondContact O-CB 3.33Å; C308-A312 PolarHBondContact O-N 2.74Å |
| 309 | L | 81.5 | Confident | 70.9 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 15% | 0.152 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | 174.6 | -65.2 | 172.5 | 0 | 0 | 0 | 112.2 | V248 L252 V256 I305 T306 A312 K313 | V248-L309 HydrophobicContact CG1-CD1 4.07Å; V248-L309 HydrophobicContact CG1-CD2 3.59Å; V248-L309 HydrophobicContact CG1-CG 4.43Å; V248-L309 HydrophobicContact CG2-CD1 4.4Å; L252-L309 HydrophobicContact CB-CD2 3.36Å; L252-L309 HydrophobicContact CD1-CD2 4.25Å; L252-L309 HydrophobicContact CG-CD2 4.46Å; V256-L309 HydrophobicContact CG2-CD2 3.46Å; V256-L309 VanDerWaalsContact CG2-CD2 3.46Å; V256-L309 HydrophobicContact CG2-CG 3.78Å; I305-L309 HydrophobicContact CG2-CD1 4.22Å; I305-L309 HydrophobicContact CG2-CG 4.49Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 2.8Å; T306-L309 WeakPolarHBondContact O-CB 3.42Å; T306-L309 PolarHBondContact O-N 3.3Å; T306-L309 VanDerWaalsContact O-N 3.15Å; L309-A312 PolarHBondContact O-N 2.84Å; L309-K313 WeakPolarHBondContact O-CB 3.32Å; L309-K313 PolarHBondContact O-N 2.82Å |
| 310 | E | 79.4 | Confident | 68.7 | Low | 124 Ų | 124 | 71.7 Ų | 71.7 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 177.1 | -169.6 | 166.6 | 96.6 | 0 | 0 | 111.4 | T306 A307 A312 K313 S314 | T306-E310 PolarHBondContact O-N 3.39Å; A307-E310 PolarHBondContact O-N 3.21Å; E310-A312 VanDerWaalsContact C-N 3.29Å; E310-A312 PolarHBondContact O-N 2.82Å; E310-K313 WeakPolarHBondContact O-CB 3.41Å; E310-K313 PolarHBondContact O-N 3.07Å; E310-K313 VanDerWaalsContact O-N 3.17Å; E310-S314 PolarHBondContact O-N 2.84Å; E310-S314 VanDerWaalsContact O-N 3.15Å; E310-S314 PolarHBondContact O-OG 2.91Å |
| 311 | T | 74.6 | Confident | 66.1 | Low | 97 Ų | 97 | 72.2 Ų | 72.2 | 60% | 0.595 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | 174.3 | -53.5 | 0 | 0 | 0 | 0 | 112 | A307 S314 T315 | A307-T311 WeakPolarHBondContact O-CB 3.3Å; A307-T311 PolarHBondContact O-N 2.85Å; A307-T311 PolarHBondContact O-OG1 2.79Å; T311-S314 PolarHBondContact O-N 3.21Å; T311-T315 PolarHBondContact O-N 2.88Å; T311-T315 PolarHBondContact O-OG1 3.17Å |
| 312 | A | 65.7 | Low | 63.5 | Low | 8 Ų | 8 | 77.5 Ų | 77.5 | 7% | 0.066 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L252 C255 C308 L309 E310 S314 T315 S316 | L252-A312 HydrophobicContact CD2-CB 3.93Å; C255-A312 HydrophobicContact CB-CB 3.57Å; C255-A312 VanDerWaalsContact SG-CB 3.57Å; C308-A312 WeakPolarHBondContact O-CB 3.33Å; C308-A312 PolarHBondContact O-N 2.74Å; L309-A312 PolarHBondContact O-N 2.84Å; E310-A312 VanDerWaalsContact C-N 3.29Å; E310-A312 PolarHBondContact O-N 2.82Å; A312-S314 VanDerWaalsContact C-N 3.26Å; A312-S314 PolarHBondContact O-N 3.02Å; A312-T315 WeakPolarHBondContact O-CA 3.41Å; A312-T315 WeakPolarHBondContact O-CB 3.3Å; A312-T315 PolarHBondContact O-N 2.98Å; A312-S316 PolarHBondContact O-N 3.1Å; A312-S316 PolarHBondContact O-OG 2.77Å |
| 313 | K | 64.1 | Low | 61.1 | Low | 153 Ų | 153 | 78.6 Ų | 78.6 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -29.2 | 177.8 | -173 | 174.5 | 179.7 | 178.5 | 0 | 113.2 | L309 E310 T315 | L309-K313 WeakPolarHBondContact O-CB 3.32Å; L309-K313 PolarHBondContact O-N 2.82Å; E310-K313 WeakPolarHBondContact O-CB 3.41Å; E310-K313 PolarHBondContact O-N 3.07Å; E310-K313 VanDerWaalsContact O-N 3.17Å; K313-T315 VanDerWaalsContact C-N 3.29Å |
| 314 | S | 55.2 | Low | 59 | Low | 103 Ų | 103 | 78.4 Ų | 78.4 | 72% | 0.72 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72 | -22 | 170.7 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | E310 T311 A312 | E310-S314 PolarHBondContact O-N 2.84Å; E310-S314 VanDerWaalsContact O-N 3.15Å; E310-S314 PolarHBondContact O-OG 2.91Å; T311-S314 PolarHBondContact O-N 3.21Å; A312-S314 VanDerWaalsContact C-N 3.26Å; A312-S314 PolarHBondContact O-N 3.02Å |
| 315 | T | 55.5 | Low | 56.8 | Low | 114 Ų | 114 | 81.4 Ų | 81.4 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -92.8 | -33.6 | -179.4 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | T311 A312 K313 G317 | T311-T315 PolarHBondContact O-N 2.88Å; T311-T315 PolarHBondContact O-OG1 3.17Å; A312-T315 WeakPolarHBondContact O-CA 3.41Å; A312-T315 WeakPolarHBondContact O-CB 3.3Å; A312-T315 PolarHBondContact O-N 2.98Å; K313-T315 VanDerWaalsContact C-N 3.29Å; T315-G317 VanDerWaalsContact C-N 3.26Å; T315-G317 PolarHBondContact O-N 3.04Å |
| 316 | S | 46.8 | Very low | 54.1 | Low | 67 Ų | 67 | 88 Ų | 88 | 47% | 0.469 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | 5.5 | -178.6 | 57.4 | 0 | 0 | 0 | 0 | 115.2 | A312 | A312-S316 PolarHBondContact O-N 3.1Å; A312-S316 PolarHBondContact O-OG 2.77Å |
| 317 | G | 39.6 | Very low | 52 | Low | 70 Ų | 70 | 91.5 Ų | 91.5 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -0.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T315 | T315-G317 VanDerWaalsContact C-N 3.26Å; T315-G317 PolarHBondContact O-N 3.04Å |
| 318 | G | 32.9 | Very low | 50.2 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | trans | -89.6 | 122 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 319 | T | 32.4 | Very low | 48.4 | Very low | 132 Ų | 132 | 98.9 Ų | 98.9 | 81% | 0.81 | 66% | 0.66 | S | S | * | * | trans | -65.9 | 144 | 176.9 | 39 | 0 | 0 | 0 | 0 | 112.8 | G321 | T319-G321 PolarHBondContact O-N 3.47Š| ||
| 320 | P | 39.2 | Very low | 46.5 | Very low | 132 Ų | 132 | 103 Ų | 103 | 86% | 0.857 | 69% | 0.688 | S | S | * | * | trans | -76 | 93.7 | 171.2 | 30.8 | -32.3 | 0 | 0 | 0 | 110.1 | S322 | P320-S322 PolarHBondContact O-N 3.33Š| ||
| 321 | G | 32.1 | Very low | 44.2 | Very low | 70 Ų | 70 | 106.6 Ų | 106.6 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | trans | -73.9 | 113.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T319 | T319-G321 PolarHBondContact O-N 3.47Š| ||
| 322 | S | 33.6 | Very low | 42.6 | Very low | 112 Ų | 112 | 107.5 Ų | 107.5 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | trans | -23.9 | 130.9 | 167.8 | 51.7 | 0 | 0 | 0 | 0 | 117.5 | P320 | P320-S322 PolarHBondContact O-N 3.33Š| ||
| 323 | A | 39.1 | Very low | 41.7 | Very low | 95 Ų | 95 | 113 Ų | 113 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -64.5 | 159.7 | 156 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 324 | P | 42.1 | Very low | 41.2 | Very low | 126 Ų | 126 | 111.2 Ų | 111.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -128.3 | 140.7 | 125.7 | 35.4 | -28.6 | 0 | 0 | 0 | 112.2 | |||||
| 325 | A | 39.8 | Very low | 40.2 | Very low | 91 Ų | 91 | 114 Ų | 114 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -91.7 | 140.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 326 | D | 32.2 | Very low | 39.1 | Very low | 139 Ų | 139 | 114.4 Ų | 114.4 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | 168 | 119.2 | 102.3 | -151.5 | -120.3 | 0 | 0 | 0 | 112.9 | |||||
| 327 | L | 42.1 | Very low | 38.5 | Very low | 144 Ų | 144 | 115.6 Ų | 115.6 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 49.1 | 164.7 | 148.1 | -65.5 | 176.3 | 0 | 0 | 0 | 123.2 | ||||
| 328 | P | 46.2 | Very low | 38.4 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -123.2 | 179.7 | -12.8 | 33 | -13.5 | 0 | 0 | 0 | 114.8 | ||||
| 329 | A | 43.4 | Very low | 38.7 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -72.5 | 167.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 330 | P | 41.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -145.2 | 150.6 | 109.5 | 29.5 | -10.6 | 0 | 0 | 0 | 117.6 | |||||
| 331 | F | 31.3 | Very low | 38.7 | Very low | 201 Ų | 201 | 121 Ų | 121 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | 65.6 | 115.4 | 145.6 | -84.1 | -112.3 | 0 | 0 | 0 | 122.1 | ||||
| 332 | S | 40.4 | Very low | 39.3 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -123.1 | 145.5 | 152.4 | -47.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 333 | P | 47.3 | Very low | 40.1 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -109.8 | 156.8 | 157.2 | 35.2 | -27.7 | 0 | 0 | 0 | 112.4 | ||||
| 334 | P | 52.4 | Low | 39.7 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 159 | -165.1 | 40.1 | -33.7 | 0 | 0 | 0 | 115.4 | ||||
| 335 | L | 34.3 | Very low | 39.3 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -160.5 | 93.5 | 158.1 | -121.9 | 147.1 | 0 | 0 | 0 | 109.5 | ||||
| 336 | T | 33.5 | Very low | 39.1 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | 70.3 | 129.4 | 87 | -36.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 337 | A | 33.5 | Very low | 39 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | 76.9 | 104.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 338 | L | 36.6 | Very low | 38.8 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -85.9 | 150.3 | 150.3 | -144.1 | 89.9 | 0 | 0 | 0 | 109.4 | ||||
| 339 | P | 39.6 | Very low | 39.2 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -131 | 123.1 | 146.2 | 25.8 | -8.6 | 0 | 0 | 0 | 113.9 | ||||
| 340 | T | 35 | Very low | 38.6 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | 22.5 | 123.8 | 139.7 | 52.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 341 | A | 37.1 | Very low | 38.1 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -112.3 | 142.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 342 | P | 43.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -97 | 163.6 | 169.9 | 36.8 | -32.2 | 0 | 0 | 0 | 113.1 | ||||
| 343 | P | 51.1 | Low | 37.8 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -107 | 161.3 | -169.3 | 39.7 | -34.6 | 0 | 0 | 0 | 116.1 | ||||
| 344 | G | 31.2 | Very low | 37 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 134.7 | 157.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 345 | L | 32.8 | Very low | 36.3 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | cis | -159.5 | 157.3 | -14.5 | -169.9 | 138.4 | 0 | 0 | 0 | 108.5 | ||||
| 346 | L | 36.4 | Very low | 36.2 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -20.2 | 136.9 | 173.9 | -161.6 | 74.6 | 0 | 0 | 0 | 119.3 | ||||
| 347 | G | 29.3 | Very low | 36.3 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 161.5 | 129.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 348 | T | 37.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -116.7 | 175.9 | 159.1 | 60.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 349 | P | 55.9 | Low | 36.2 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -128.5 | -162.6 | -15.4 | 26.3 | -1.3 | 0 | 0 | 0 | 112.7 | ||||
| 350 | Y | 30.2 | Very low | 36 | Very low | 220 Ų | 220 | 128.8 Ų | 128.8 | 86% | 0.863 | 78% | 0.781 | S | S | * | * | trans | 81.1 | 108.3 | 162.3 | -91.8 | -99.7 | 0 | 0 | 0 | 122.1 | ||||
| 351 | A | 29.8 | Very low | 36 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | 74.1 | 160.1 | 121.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 352 | I | 32.2 | Very low | 36.7 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | 69.9 | 99.2 | 165.2 | -34.6 | -176.1 | 0 | 0 | 0 | 114.6 | ||||
| 353 | S | 33.7 | Very low | 36.7 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | 67.4 | 116.3 | 70.6 | -168.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 354 | L | 31.6 | Very low | 36.9 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 178.2 | 131.7 | 130.1 | -96 | 165.3 | 0 | 0 | 0 | 111.2 | ||||
| 355 | S | 36.1 | Very low | 36.9 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 28.4 | 152.2 | 138.4 | -43.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 356 | N | 33.9 | Very low | 36.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | cis | -170.3 | 139.9 | 32.4 | -159.5 | 24.7 | 0 | 0 | 0 | 112.2 | I358 | N356-I358 WeakPolarHBondContact ND2-CD1 3.44Š| ||
| 357 | F | 34.6 | Very low | 36.7 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -175.2 | 98.1 | 139.1 | -114.4 | -83 | 0 | 0 | 0 | 105.7 | ||||
| 358 | I | 38.3 | Very low | 36.9 | Very low | 123 Ų | 123 | 134 Ų | 134 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | 56 | 111.4 | 84.1 | -61.1 | 167.9 | 0 | 0 | 0 | 110.9 | N356 | N356-I358 WeakPolarHBondContact ND2-CD1 3.44Š| |||
| 359 | G | 30.3 | Very low | 37.4 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | cis | 160.6 | 160 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 360 | L | 35.5 | Very low | 37.6 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 94% | 0.942 | 75% | 0.746 | S | S | * | * | trans | -149.5 | 143.8 | 150.8 | -102.8 | 164.9 | 0 | 0 | 0 | 107.9 | ||||
| 361 | K | 35.5 | Very low | 37.6 | Very low | 192 Ų | 192 | 127.5 Ų | 127.5 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -154.4 | 166.7 | -158.7 | -113.9 | -166.5 | 168.3 | 177.7 | 0 | 107.2 | ||||
| 362 | P | 49.9 | Very low | 37.9 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | -148.8 | -160.8 | -53.8 | 37.6 | -15.2 | 0 | 0 | 0 | 114.2 | |||||
| 363 | V | 45.6 | Very low | 38.5 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | 89.2 | 147 | 144.9 | -70.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 364 | P | 55.3 | Low | 38.4 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | trans | -135 | -160.3 | -156.7 | 45.1 | -24.6 | 0 | 0 | 0 | 113.8 | ||||
| 365 | F | 29.7 | Very low | 39.1 | Very low | 180 Ų | 180 | 125 Ų | 125 | 79% | 0.789 | 76% | 0.756 | S | S | * | * | trans | -153.7 | 120.1 | 158.5 | -142.7 | -121.1 | 0 | 0 | 0 | 110.6 | ||||
| 366 | L | 32.7 | Very low | 40 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | 67.4 | 145.4 | 112.3 | -117.8 | 85.2 | 0 | 0 | 0 | 116 | |||||
| 367 | A | 32.5 | Very low | 40.5 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 57% | 0.57 | 77% | 0.769 | S | S | * | * | cis | -162.2 | 155.2 | 2.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 368 | L | 34.4 | Very low | 40.3 | Very low | 166 Ų | 166 | 121 Ų | 121 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | 66 | 154.9 | 142.7 | -68.4 | 162.7 | 0 | 0 | 0 | 123.5 | ||||
| 369 | P | 47.2 | Very low | 40 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -123.9 | -139.7 | -175.6 | 34.6 | -9.5 | 0 | 0 | 0 | 111.5 | ||||
| 370 | P | 60.7 | Low | 40.1 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | -120.2 | 165.1 | -72.7 | 32.1 | -15.8 | 0 | 0 | 0 | 114.3 | |||||
| 371 | A | 30.5 | Very low | 39.7 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -160.3 | 148.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 372 | S | 35.5 | Very low | 39.7 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -123.6 | -161.3 | 166.5 | -41.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 373 | P | 45.1 | Very low | 39 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -136.1 | 151.9 | -28.5 | 31.9 | -12.7 | 0 | 0 | 0 | 115.8 | ||||
| 374 | G | 30.8 | Very low | 38.4 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 60 | -170.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 375 | P | 46.4 | Very low | 37.4 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -130.5 | -179.1 | -24.4 | 40.3 | -23.2 | 0 | 0 | 0 | 114 | ||||
| 376 | P | 55.3 | Low | 37.7 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -81.3 | -177.3 | 164.5 | 36.9 | -38 | 0 | 0 | 0 | 112 | ||||
| 377 | P | 45.3 | Very low | 37.5 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | cis | -143.9 | -169.1 | 16.9 | 44 | -23.3 | 0 | 0 | 0 | 117.3 | ||||
| 378 | G | 30.3 | Very low | 37.7 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 129.7 | 110.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 379 | L | 31.3 | Very low | 37.8 | Very low | 178 Ų | 178 | 122.7 Ų | 122.7 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | 54.6 | 137.1 | 136.9 | -86.3 | 157.9 | 0 | 0 | 0 | 126.3 | ||||
| 380 | A | 32.1 | Very low | 37.1 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | 88.9 | 124.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 381 | A | 28.4 | Very low | 35.8 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | 12.1 | 139.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 382 | Y | 34.1 | Very low | 36.1 | Very low | 222 Ų | 222 | 123.5 Ų | 123.5 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | cis | -152.8 | -174.7 | 44.8 | 41.7 | -114.5 | 0 | 0 | 0 | 112 | ||||
| 383 | T | 35.9 | Very low | 36.2 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | cis | -152.4 | -158.1 | 21.6 | -167.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 384 | A | 33.7 | Very low | 35.8 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -90 | 149.5 | -159.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 385 | K | 33.8 | Very low | 36.4 | Very low | 211 Ų | 211 | 132 Ų | 132 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | -159.8 | 146.4 | 111.2 | -135.6 | 165.6 | -178 | 174.4 | 0 | 112.7 | |||||
| 386 | M | 35 | Very low | 36.2 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 93% | 0.931 | 82% | 0.816 | S | S | * | * | trans | -75.2 | 174.2 | 180 | -60.5 | -176.5 | 170 | 0 | 0 | 112.5 | ||||
| 387 | A | 29.7 | Very low | 35.5 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | cis | -151.5 | 152.6 | 15.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 388 | A | 35.3 | Very low | 35.8 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | cis | 100.1 | 92.7 | 32.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 389 | A | 36.5 | Very low | 36.4 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -179.8 | 107.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 390 | N | 33.3 | Very low | 36.9 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | 62.4 | 124.7 | 63.5 | -149 | 25.7 | 0 | 0 | 0 | 112.9 | |||||
| 391 | G | 33.1 | Very low | 37.5 | Very low | 70 Ų | 70 | 147.5 Ų | 147.5 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | cis | -167.9 | -171.2 | 10.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 392 | S | 37.4 | Very low | 39.1 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -93.8 | 156.2 | -166.8 | 53.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 393 | K | 37.1 | Very low | 39.6 | Very low | 203 Ų | 203 | 152.4 Ų | 152.4 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | 167 | 149.7 | 151.3 | -95.2 | 154.9 | -170.2 | 177 | 0 | 108.8 | ||||
| 394 | K | 37.3 | Very low | 39.8 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | cis | -161.3 | 157.1 | -13.9 | -161.4 | -177.1 | -178.5 | -169.8 | 0 | 106.6 | ||||
| 395 | A | 43.5 | Very low | 40.1 | Very low | 96 Ų | 96 | 156.8 Ų | 156.8 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | trans | -72.7 | 146 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 396 | E | 41.8 | Very low | 40.4 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -135 | 147.3 | 157.8 | -169.5 | 154.5 | 104.4 | 0 | 0 | 110.8 | ||||
| 397 | R | 41.2 | Very low | 40.8 | Very low | 212 Ų | 212 | 151.7 Ų | 151.7 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -133.8 | 100 | -165.8 | 167.3 | -169.3 | 164.4 | -155.3 | 0.6 | 107.2 | ||||
| 398 | Q | 51.8 | Low | 41.4 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -86.6 | 134.2 | 175.3 | -78.1 | -169.4 | -7.8 | 0 | 0 | 111.9 | ||||
| 399 | K | 43 | Very low | 41.9 | Very low | 168 Ų | 168 | 159.1 Ų | 159.1 | 73% | 0.73 | 83% | 0.826 | S | S | * | * | trans | -89.8 | 149.3 | 175.2 | -81.5 | 175.9 | 172.2 | -179.2 | 0 | 109.4 | ||||
| 400 | F | 40.3 | Very low | 42.2 | Very low | 191 Ų | 191 | 163.6 Ų | 163.6 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | 26.3 | 130.1 | 123.8 | -102.5 | -97.9 | 0 | 0 | 0 | 116.7 | |||||
| 401 | S | 44.9 | Very low | 42.9 | Very low | 107 Ų | 107 | 163.4 Ų | 163.4 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | -169.3 | 172.7 | 66.2 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 402 | P | 63.2 | Low | 43.8 | Very low | 112 Ų | 112 | 171.2 Ų | 171.2 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -95.4 | 169.4 | -168.9 | 39.1 | -35.4 | 0 | 0 | 0 | 114.3 | ||||
| 403 | Y | 43.7 | Very low | 44.3 | Very low | 304 Ų | 304 | 176.8 Ų | 176.8 | 100% | 1.192 | 84% | 0.839 | S | S | * | * | trans | -152.3 | 0 | 136.6 | -126.6 | -81.3 | 0 | 0 | 0 | 110.2 |
Retrieved 403 of 403 residues in 171.4 ms
(Link to these results)