| 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 | 45.4 | Very low | 48.8 | Very low | 237 Ų | 237 | 141.9 Ų | 141.9 | 100% | 1.167 | 82% | 0.818 | S | S | * | * | 0 | 101.3 | 0 | -146.5 | 171.9 | 179.4 | 0 | 0 | 106.1 | |||||
| 2 | F | 47.7 | Very low | 48.9 | Very low | 211 Ų | 211 | 137.3 Ų | 137.3 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -100.8 | 122.7 | -179 | -76.4 | -83.6 | 0 | 0 | 0 | 108.3 | ||||
| 3 | T | 45.3 | Very low | 49.1 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -151.2 | 92.4 | 165.7 | -30.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 4 | V | 47 | Very low | 49.2 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 36.3 | 111.7 | 137.3 | -168.2 | 0 | 0 | 0 | 0 | 119.1 | T6 | V4-T6 PolarHBondContact O-N 3.11Š| ||
| 5 | L | 48.4 | Very low | 49.4 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -63 | 118.1 | 166.9 | -154.3 | 82.6 | 0 | 0 | 0 | 110.8 | I7 | L5-I7 PolarHBondContact O-N 2.76Š| ||
| 6 | T | 52.7 | Low | 49.5 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -85.1 | 107.4 | 176.6 | -29.8 | 0 | 0 | 0 | 0 | 109.6 | V4 V8 | V4-T6 PolarHBondContact O-N 3.11Å; T6-V8 PolarHBondContact O-N 2.9Å | ||
| 7 | I | 49.3 | Very low | 49.3 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | trans | -81.8 | 107 | 173.1 | -63.2 | 174.3 | 0 | 0 | 0 | 108 | L5 S9 | L5-I7 PolarHBondContact O-N 2.76Å; I7-S9 PolarHBondContact O-N 3.45Å | ||
| 8 | V | 49.7 | Very low | 49.2 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -71.2 | 96.6 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | T6 G10 | T6-V8 PolarHBondContact O-N 2.9Å; V8-G10 PolarHBondContact O-N 2.9Å | ||
| 9 | S | 50 | Low | 49.3 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -80.4 | 100.6 | 168.9 | -63 | 0 | 0 | 0 | 0 | 108.3 | I7 V11 | I7-S9 PolarHBondContact O-N 3.45Å; S9-V11 PolarHBondContact O-N 3.42Å | ||
| 10 | G | 47.9 | Very low | 49.4 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -65.1 | 112.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V8 A12 | V8-G10 PolarHBondContact O-N 2.9Å; G10-A12 PolarHBondContact O-N 2.94Å | ||
| 11 | V | 53.1 | Low | 49.6 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | -76.7 | 102.2 | 168.9 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | S9 I13 | S9-V11 PolarHBondContact O-N 3.42Å; V11-I13 HydrophobicContact CG1-CG1 4.23Å; V11-I13 PolarHBondContact O-N 3.19Å; V11-I13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | A | 50.4 | Low | 50.2 | Low | 86 Ų | 86 | 121.6 Ų | 121.6 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | -70.1 | 101.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G10 L14 | G10-A12 PolarHBondContact O-N 2.94Å; A12-L14 VanDerWaalsContact C-N 3.32Å; A12-L14 PolarHBondContact O-N 3.39Å | ||
| 13 | I | 51.2 | Low | 51.4 | Low | 144 Ų | 144 | 116 Ų | 116 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | trans | -75 | 90.8 | 169.4 | -57.6 | 174.6 | 0 | 0 | 0 | 106.8 | V11 T15 | V11-I13 HydrophobicContact CG1-CG1 4.23Å; V11-I13 PolarHBondContact O-N 3.19Å; V11-I13 VanDerWaalsContact O-N 3.12Å; I13-T15 HydrophobicContact CG2-CG2 4.22Å; I13-T15 PolarHBondContact O-N 3.13Å | ||
| 14 | L | 50.7 | Low | 53.2 | Low | 150 Ų | 150 | 112.1 Ų | 112.1 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | trans | -67.3 | 97.8 | 164.5 | -87.7 | 151.6 | 0 | 0 | 0 | 107.7 | A12 L16 | A12-L14 VanDerWaalsContact C-N 3.32Å; A12-L14 PolarHBondContact O-N 3.39Å; L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 2.7Å | ||
| 15 | T | 52.2 | Low | 55.2 | Low | 107 Ų | 107 | 108 Ų | 108 | 66% | 0.656 | 65% | 0.649 | S | S | * | * | trans | -69.9 | 89.1 | 165.1 | 44.2 | 0 | 0 | 0 | 0 | 108 | I13 N17 | I13-T15 HydrophobicContact CG2-CG2 4.22Å; I13-T15 PolarHBondContact O-N 3.13Å; T15-N17 VanDerWaalsContact C-N 3.28Å; T15-N17 PolarHBondContact O-N 2.99Å | ||
| 16 | L | 51.4 | Low | 57.5 | Low | 146 Ų | 146 | 102.2 Ų | 102.2 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | trans | -61.3 | 98 | 161.9 | -116.7 | 88.8 | 0 | 0 | 0 | 106.8 | L14 C18 | L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 2.7Å; L16-C18 PolarHBondContact O-N 3.2Å | ||
| 17 | N | 46.3 | Very low | 59.6 | Low | 146 Ų | 146 | 96.7 Ų | 96.7 | 78% | 0.781 | 59% | 0.586 | S | S | * | * | trans | -69.9 | 72.7 | 161.8 | -74.4 | -41.1 | 0 | 0 | 0 | 107.4 | T15 V19 | T15-N17 VanDerWaalsContact C-N 3.28Å; T15-N17 PolarHBondContact O-N 2.99Å; N17-V19 VanDerWaalsContact C-N 3.34Å; N17-V19 PolarHBondContact O-N 2.75Å | ||
| 18 | C | 47.9 | Very low | 61.8 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 63% | 0.628 | 57% | 0.574 | S | S | * | * | trans | -69.1 | 100.6 | 165.6 | -153.3 | 0 | 0 | 0 | 0 | 105.6 | L16 M20 | L16-C18 PolarHBondContact O-N 3.2Å; C18-M20 VanDerWaalsContact C-N 3.31Å; C18-M20 PolarHBondContact O-N 2.85Å | ||
| 19 | V | 49.7 | Very low | 64.1 | Low | 99 Ų | 99 | 91.4 Ų | 91.4 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | trans | -66.7 | 99.7 | 169.8 | 177.7 | 0 | 0 | 0 | 0 | 105.7 | N17 C21 R179 | N17-V19 VanDerWaalsContact C-N 3.34Å; N17-V19 PolarHBondContact O-N 2.75Å; V19-C21 PolarHBondContact O-N 2.85Å; V19-R179 HydrophobicContact CG1-CG 4.28Å | ||
| 20 | M | 51.4 | Low | 66.4 | Low | 145 Ų | 145 | 86.7 Ų | 86.7 | 71% | 0.714 | 51% | 0.514 | S | S | * | . | trans | -63.8 | 122.8 | 176.6 | -64.1 | -110.2 | -72.7 | 0 | 0 | 108.3 | C18 | C18-M20 VanDerWaalsContact C-N 3.31Å; C18-M20 PolarHBondContact O-N 2.85Å | ||
| 21 | C | 53.5 | Low | 68.8 | Low | 88 Ų | 88 | 83.6 Ų | 83.6 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | trans | -53.2 | 159.1 | 162.9 | -60.1 | 0 | 0 | 0 | 0 | 110 | V19 D23 | V19-C21 PolarHBondContact O-N 2.85Å; C21-D23 PolarHBondContact O-N 2.96Å | ||
| 22 | L | 59.6 | Low | 71 | Confident | 25 Ų | 25 | 78 Ų | 78 | 13% | 0.131 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -68.1 | 80.2 | -167.6 | -165.6 | 78.6 | 0 | 0 | 0 | 114.5 | N24 N214 C216 | L22-N24 HydrophobicContact CD1-CB 3.99Å; L22-N24 VanDerWaalsContact CD1-ND2 3.3Å; L22-N24 WeakPolarHBondContact CD1-ND2 3.47Å; L22-N214 WeakPolarHBondContact CB-O 3.45Å; L22-N214 PolarHBondContact N-O 3.21Å; L22-C216 VanDerWaalsContact CD2-N 3.35Å; L22-C216 WeakPolarHBondContact CD2-O 3.41Å |
| 23 | D | 71.8 | Confident | 73.3 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | trans | -112.8 | 79.9 | 140.3 | -172.4 | 3.6 | 0 | 0 | 0 | 108 | C21 G25 R28 | C21-D23 PolarHBondContact O-N 2.96Å; D23-G25 VanDerWaalsContact C-N 3.29Å; D23-G25 PolarHBondContact OD1-N 3.13Å; D23-R28 IonicContact OD1-CZ 2.71Å; D23-R28 VanDerWaalsContact OD1-CZ 3.26Å; D23-R28 IonicContact OD1-NH1 2.96Å; D23-R28 PolarHBondContact OD1-NH1 3.08Å; D23-R28 IonicContact OD1-NH2 2.7Å; D23-R28 PolarHBondContact OD1-NH2 3.21Å; D23-R28 IonicContact OD2-CZ 2.61Å; D23-R28 IonicContact OD2-NH1 3.65Å; D23-R28 PolarHBondContact OD2-NH1 3.27Å; D23-R28 IonicContact OD2-NH2 3.45Å; D23-R28 PolarHBondContact OD2-NH2 2.83Å | ||
| 24 | N | 83.5 | Confident | 75.6 | Confident | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | trans | -88.9 | 7.7 | 178.2 | 67 | -2.8 | 0 | 0 | 0 | 113.1 | L22 L26 N217 | L22-N24 HydrophobicContact CD1-CB 3.99Å; L22-N24 VanDerWaalsContact CD1-ND2 3.3Å; L22-N24 WeakPolarHBondContact CD1-ND2 3.47Å; N24-L26 PolarHBondContact O-N 3.44Å; N24-L26 WeakPolarHBondContact OD1-CB 3.22Å; N24-L26 PolarHBondContact OD1-N 2.92Å; N24-L26 VanDerWaalsContact OD1-N 3.11Å; N24-N217 PolarHBondContact OD1-ND2 3.12Å | ||
| 25 | G | 89.3 | Confident | 77.8 | Confident | 42 Ų | 42 | 60 Ų | 60 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 69.4 | 3.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D23 R28 | D23-G25 VanDerWaalsContact C-N 3.29Å; D23-G25 PolarHBondContact OD1-N 3.13Å; G25-R28 WeakPolarHBondContact O-CG 3.43Å |
| 26 | L | 95.9 | Very high | 80 | Confident | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | trans | -89 | 163 | 176.7 | -58.7 | -178.7 | 0 | 0 | 0 | 111.7 | N24 R28 P187 V188 | N24-L26 PolarHBondContact O-N 3.44Å; N24-L26 WeakPolarHBondContact OD1-CB 3.22Å; N24-L26 PolarHBondContact OD1-N 2.92Å; N24-L26 VanDerWaalsContact OD1-N 3.11Å; L26-R28 PolarHBondContact O-N 2.81Å; L26-R28 VanDerWaalsContact O-N 3.13Å; L26-P187 HydrophobicContact CD1-CB 3.89Å; L26-P187 HydrophobicContact CD2-CB 4.01Å; L26-P187 HydrophobicContact CG-CB 4.34Å; L26-V188 VanDerWaalsContact CD1-C 3.44Å | ||
| 27 | A | 97.1 | Very high | 82.2 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | trans | 49 | 40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T29 P31 T189 N217 G253 W255 | A27-T29 CarbonylContact C-O 3.49Å; A27-T29 VanDerWaalsContact C-O 3.28Å; A27-T29 PolarHBondContact O-N 2.81Å; A27-P31 HydrophobicContact CB-CG 4.01Å; A27-T189 HydrophobicContact CB-CG2 4.33Å; A27-N217 HydrophobicContact CB-CB 4.08Å; A27-G253 VanDerWaalsContact O-CA 3.23Å; A27-G253 WeakPolarHBondContact O-CA 3.3Å; A27-G253 PolarHBondContact O-N 3.07Å; A27-W255 PolarHBondContact O-NE1 3.02Å | ||
| 28 | R | 96.3 | Very high | 84.6 | Confident | 117 Ų | 117 | 47 Ų | 47 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -65.3 | -22.2 | 178.7 | -66.6 | -57.4 | -129.3 | -160 | -6.5 | 113.7 | D23 G25 L26 W255 | D23-R28 IonicContact OD1-CZ 2.71Å; D23-R28 VanDerWaalsContact OD1-CZ 3.26Å; D23-R28 IonicContact OD1-NH1 2.96Å; D23-R28 PolarHBondContact OD1-NH1 3.08Å; D23-R28 IonicContact OD1-NH2 2.7Å; D23-R28 PolarHBondContact OD1-NH2 3.21Å; D23-R28 IonicContact OD2-CZ 2.61Å; D23-R28 IonicContact OD2-NH1 3.65Å; D23-R28 PolarHBondContact OD2-NH1 3.27Å; D23-R28 IonicContact OD2-NH2 3.45Å; D23-R28 PolarHBondContact OD2-NH2 2.83Å; G25-R28 WeakPolarHBondContact O-CG 3.43Å; L26-R28 PolarHBondContact O-N 2.81Å; L26-R28 VanDerWaalsContact O-N 3.13Å; R28-W255 WeakPolarHBondContact O-CZ2 3.07Å |
| 29 | T | 97.4 | Very high | 86.8 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -122.9 | 163 | 158.7 | 56.7 | 0 | 0 | 0 | 0 | 108.3 | A27 P31 W255 Q314 | A27-T29 CarbonylContact C-O 3.49Å; A27-T29 VanDerWaalsContact C-O 3.28Å; A27-T29 PolarHBondContact O-N 2.81Å; T29-P31 WeakPolarHBondContact O-CD 3.42Å; T29-W255 VanDerWaalsContact C-CZ2 3.46Å; T29-W255 VanDerWaalsContact CA-CZ2 3.42Å; T29-Q314 PolarHBondContact OG1-OE1 3.17Å |
| 30 | P | 98.2 | Very high | 89 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | trans | -57 | 129.2 | 180 | -22.1 | 32.3 | 0 | 0 | 0 | 110.8 | M32 W255 A284 A285 Q314 | P30-M32 PolarHBondContact O-N 3.43Å; P30-W255 HydrophobicContact CB-CD2 4.27Å; P30-W255 HydrophobicContact CB-CG 4.5Å; P30-W255 HydrophobicContact CG-CD2 3.81Å; P30-W255 HydrophobicContact CG-CE3 3.69Å; P30-W255 HydrophobicContact CG-CH2 4.01Å; P30-W255 HydrophobicContact CG-CZ2 4.15Å; P30-W255 HydrophobicContact CG-CZ3 3.78Å; P30-A284 HydrophobicContact CG-CB 4.01Å; P30-A284 WeakPolarHBondContact CG-O 3.13Å; P30-A285 VanDerWaalsContact CB-O 3.28Å; P30-A285 WeakPolarHBondContact CB-O 3.41Å; P30-Q314 PolarHBondContact O-NE2 3.44Å | ||
| 31 | P | 98.5 | Very high | 91 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | trans | -59 | 135.7 | 178.9 | -30.7 | 39.7 | 0 | 0 | 0 | 112.8 | A27 T29 Y78 T189 L218 P286 L287 | A27-P31 HydrophobicContact CB-CG 4.01Å; T29-P31 WeakPolarHBondContact O-CD 3.42Å; P31-Y78 HydrophobicContact CB-CD2 3.84Å; P31-Y78 HydrophobicContact CB-CE2 3.69Å; P31-Y78 HydrophobicContact CG-CE2 4.42Å; P31-T189 HydrophobicContact CG-CG2 4.49Å; P31-L218 HydrophobicContact CG-CD1 4.07Å; P31-P286 CarbonylContact O-C 3.53Å; P31-P286 WeakPolarHBondContact O-CA 3.39Å; P31-P286 WeakPolarHBondContact O-CB 3.31Å; P31-L287 PolarHBondContact O-N 3.09Å | ||
| 32 | M | 98.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140.8 | 173.9 | -52.9 | 175 | 57.1 | 0 | 0 | 110.4 | P30 G75 Y76 K77 Y78 L287 L310 Q314 | P30-M32 PolarHBondContact O-N 3.43Å; M32-G75 WeakPolarHBondContact CB-O 3.42Å; M32-Y76 HydrophobicContact CB-CD1 3.96Å; M32-Y76 HydrophobicContact CB-CE1 4.34Å; M32-Y76 HydrophobicContact CB-CG 4.37Å; M32-Y76 HydrophobicContact CE-CD1 4.06Å; M32-Y76 HydrophobicContact CE-CD2 3.79Å; M32-Y76 HydrophobicContact CE-CE1 3.77Å; M32-Y76 HydrophobicContact CE-CE2 3.49Å; M32-Y76 VanDerWaalsContact CE-CE2 3.49Å; M32-Y76 HydrophobicContact CE-CG 4.07Å; M32-Y76 VanDerWaalsContact CE-CZ 3.49Å; M32-K77 PolarHBondContact O-N 2.9Å; M32-Y78 WeakPolarHBondContact O-CD2 3.13Å; M32-Y78 PolarHBondContact O-N 3.25Å; M32-Y78 VanDerWaalsContact O-N 3.17Å; M32-L287 WeakPolarHBondContact CA-O 3.2Å; M32-L287 HydrophobicContact CB-CB 4.38Å; M32-L287 HydrophobicContact CE-CD1 4.22Å; M32-L287 HydrophobicContact CG-CB 4.06Å; M32-L287 HydrophobicContact CG-CD1 4.43Å; M32-L310 HydrophobicContact CE-CD1 4.2Å; M32-L310 HydrophobicContact CE-CD2 3.53Å; M32-L310 HydrophobicContact CE-CG 4.43Å; M32-Q314 VanDerWaalsContact SD-CD 3.51Å; M32-Q314 HydrophobicContact SD-CG 3.65Å |
| 33 | G | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | -155.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y76 Y78 L287 L288 I289 | G33-Y76 WeakPolarHBondContact O-CD1 3.43Å; G33-Y78 CarbonylContact C-O 3.38Å; G33-Y78 WeakPolarHBondContact CA-O 3.42Å; G33-L287 PolarHBondContact N-O 3.25Å; G33-L288 CarbonylContact O-C 3.56Å; G33-L288 WeakPolarHBondContact O-CA 3.19Å; G33-I289 PolarHBondContact O-N 2.93Å |
| 34 | W | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.1 | 176.9 | -178.4 | 94.4 | 0 | 0 | 0 | 110.1 | T36 Q39 L40 I59 T62 L66 Y78 V79 I80 I289 A291 M293 | W34-T36 HydrophobicContact CE3-CG2 4.38Å; W34-T36 HydrophobicContact CH2-CG2 3.56Å; W34-T36 HydrophobicContact CZ3-CG2 3.31Å; W34-Q39 HydrophobicContact CZ2-CB 4.02Å; W34-Q39 HydrophobicContact CZ2-CG 3.94Å; W34-L40 HydrophobicContact CH2-CD1 4.05Å; W34-L40 HydrophobicContact CH2-CG 4.41Å; W34-I59 HydrophobicContact CH2-CD1 4.37Å; W34-I59 HydrophobicContact CZ3-CD1 4.01Å; W34-T62 HydrophobicContact CD2-CG2 3.63Å; W34-T62 HydrophobicContact CE3-CG2 3.94Å; W34-T62 HydrophobicContact CG-CG2 4.01Å; W34-T62 HydrophobicContact CH2-CG2 4.22Å; W34-T62 HydrophobicContact CZ2-CG2 3.97Å; W34-T62 HydrophobicContact CZ3-CG2 4.2Å; W34-L66 HydrophobicContact CB-CD1 4.07Å; W34-L66 HydrophobicContact CB-CD2 4.46Å; W34-Y78 PolarHBondContact N-O 3.28Å; W34-V79 HydrophobicContact CE3-CG1 4.12Å; W34-V79 HydrophobicContact CZ3-CG1 4.46Å; W34-V79 WeakPolarHBondContact O-CA 3.4Å; W34-I80 PolarHBondContact O-N 3.36Å; W34-I289 CarbonylContact C-O 3.56Å; W34-I289 WeakPolarHBondContact CA-O 3.15Å; W34-I289 VanDerWaalsContact CD1-O 3.27Å; W34-A291 PolarHBondContact NE1-O 3.49Å; W34-M293 VanDerWaalsContact CD1-SD 3.58Å |
| 35 | N | 98.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.4 | -179.7 | -179.8 | -46.8 | 0 | 0 | 0 | 110.5 | W37 I80 D82 M260 L288 I289 S290 | N35-W37 PolarHBondContact O-N 2.8Å; N35-W37 PolarHBondContact OD1-N 2.86Å; N35-I80 WeakPolarHBondContact CA-O 3.34Å; N35-I80 HydrophobicContact CB-CB 4.23Å; N35-D82 PolarHBondContact ND2-OD2 2.95Å; N35-D82 WeakPolarHBondContact OD1-CB 3.43Å; N35-D82 PolarHBondContact OD1-OD2 2.95Å; N35-M260 HydrophobicContact CB-CG 3.93Å; N35-M260 HydrophobicContact CB-SD 3.66Å; N35-M260 PolarHBondContact OD1-SD 2.73Å; N35-M260 VanDerWaalsContact OD1-SD 3.38Å; N35-L288 HydrophobicContact CB-CB 4.41Å; N35-I289 PolarHBondContact N-O 3.44Å; N35-S290 WeakPolarHBondContact O-CA 3.27Å; N35-S290 VanDerWaalsContact O-CB 3.23Å; N35-S290 WeakPolarHBondContact O-CB 3.19Å; N35-S290 PolarHBondContact O-OG 3Å |
| 36 | T | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -67.8 | -21.1 | -176.9 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | W34 R38 Q39 L40 G41 L54 I59 I80 L81 D82 | W34-T36 HydrophobicContact CE3-CG2 4.38Å; W34-T36 HydrophobicContact CH2-CG2 3.56Å; W34-T36 HydrophobicContact CZ3-CG2 3.31Å; T36-R38 PolarHBondContact O-N 2.96Å; T36-Q39 PolarHBondContact O-N 2.87Å; T36-L40 HydrophobicContact CG2-CD1 4.23Å; T36-L40 WeakPolarHBondContact O-CA 3.31Å; T36-L40 PolarHBondContact O-N 2.75Å; T36-G41 PolarHBondContact O-N 3.19Å; T36-G41 VanDerWaalsContact O-N 3.1Å; T36-L54 HydrophobicContact CG2-CD1 3.66Å; T36-I59 HydrophobicContact CG2-CD1 3.53Å; T36-I80 PolarHBondContact N-O 3.13Å; T36-I80 VanDerWaalsContact N-O 3.16Å; T36-L81 HydrophobicContact CG2-CD2 4.17Å; T36-D82 VanDerWaalsContact OG1-CB 3.25Å; T36-D82 WeakPolarHBondContact OG1-CB 3.47Å; T36-D82 PolarHBondContact OG1-N 2.96Å |
| 37 | W | 97.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 21% | 0.205 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -47.1 | -159 | -174.1 | -118.4 | 0 | 0 | 0 | 115.6 | N35 G41 C42 D82 D83 N224 M260 | N35-W37 PolarHBondContact O-N 2.8Å; N35-W37 PolarHBondContact OD1-N 2.86Å; W37-G41 WeakPolarHBondContact O-CA 3.32Å; W37-G41 PolarHBondContact O-N 3.11Å; W37-C42 VanDerWaalsContact CZ3-SG 3.52Å; W37-D82 HydrophobicContact CB-CB 3.79Å; W37-D82 HydrophobicContact CE3-CB 4.13Å; W37-D83 HydrophobicContact CZ3-CB 4.12Å; W37-N224 PolarHBondContact NE1-ND2 3.27Å; W37-M260 HydrophobicContact CB-CE 3.66Å; W37-M260 HydrophobicContact CB-SD 3.79Å; W37-M260 HydrophobicContact CG-CE 4.05Å |
| 38 | R | 95.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -17.9 | -179.5 | -58.5 | -58.6 | -51.8 | -178 | 0.7 | 113.3 | T36 V225 Q226 M260 V262 S290 | T36-R38 PolarHBondContact O-N 2.96Å; R38-V225 WeakPolarHBondContact CD-O 3.43Å; R38-V225 HydrophobicContact CG-CG1 4.37Å; R38-V225 PolarHBondContact NE-O 3.32Å; R38-V225 PolarHBondContact NH1-O 2.95Å; R38-Q226 VanDerWaalsContact NH1-CD 3.29Å; R38-M260 HydrophobicContact CG-CE 3.82Å; R38-M260 HydrophobicContact CG-SD 4.25Å; R38-V262 HydrophobicContact CB-CG1 4.03Å; R38-V262 HydrophobicContact CG-CG1 3.69Å; R38-S290 WeakPolarHBondContact CA-OG 3.32Å; R38-S290 WeakPolarHBondContact CB-OG 3.45Å; R38-S290 PolarHBondContact N-OG 2.88Å |
| 39 | Q | 94.2 | Very high | 96.2 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -51.5 | 178.2 | 173.1 | 50.4 | 22.6 | 0 | 0 | 113.4 | W34 T36 S290 D292 | W34-Q39 HydrophobicContact CZ2-CB 4.02Å; W34-Q39 HydrophobicContact CZ2-CG 3.94Å; T36-Q39 PolarHBondContact O-N 2.87Å; Q39-S290 PolarHBondContact N-OG 3.37Å; Q39-D292 VanDerWaalsContact CD-CA 3.48Å; Q39-D292 VanDerWaalsContact NE2-CB 3.31Å |
| 40 | L | 95.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -30.1 | -176.3 | -56 | -178.7 | 0 | 0 | 0 | 112 | W34 T36 C42 Q43 L54 A58 I59 | W34-L40 HydrophobicContact CH2-CD1 4.05Å; W34-L40 HydrophobicContact CH2-CG 4.41Å; T36-L40 HydrophobicContact CG2-CD1 4.23Å; T36-L40 WeakPolarHBondContact O-CA 3.31Å; T36-L40 PolarHBondContact O-N 2.75Å; L40-C42 PolarHBondContact O-N 3.43Å; L40-Q43 WeakPolarHBondContact O-CB 3.46Å; L40-Q43 PolarHBondContact O-N 3.06Å; L40-L54 HydrophobicContact CB-CB 4.45Å; L40-L54 HydrophobicContact CD1-CD1 4.21Å; L40-A58 HydrophobicContact CD1-CB 4.09Å; L40-I59 HydrophobicContact CD1-CD1 4.4Å |
| 41 | G | 94.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | -137.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T36 W37 Q43 | T36-G41 PolarHBondContact O-N 3.19Å; T36-G41 VanDerWaalsContact O-N 3.1Å; W37-G41 WeakPolarHBondContact O-CA 3.32Å; W37-G41 PolarHBondContact O-N 3.11Å; G41-Q43 VanDerWaalsContact C-N 3.32Å; G41-Q43 PolarHBondContact O-N 3.47Å |
| 42 | C | 96.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 33.4 | 173.8 | -68.6 | 0 | 0 | 0 | 0 | 113.5 | W37 L40 V44 C84 | W37-C42 VanDerWaalsContact CZ3-SG 3.52Å; L40-C42 PolarHBondContact O-N 3.43Å; C42-V44 VanDerWaalsContact C-N 3.26Å; C42-V44 PolarHBondContact O-N 3.46Å; C42-C84 HydrophobicContact CB-CB 3.73Å; C42-C84 WeakPolarHBondContact CB-SG 3.46Å; C42-C84 WeakPolarHBondContact SG-CB 3.38Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 2.99Å |
| 43 | Q | 96.9 | Very high | 94.7 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | trans | -71.4 | 84 | 173.2 | -176 | 53.5 | 32.2 | 0 | 0 | 110.1 | L40 G41 N45 N49 N52 C53 L54 | L40-Q43 WeakPolarHBondContact O-CB 3.46Å; L40-Q43 PolarHBondContact O-N 3.06Å; G41-Q43 VanDerWaalsContact C-N 3.32Å; G41-Q43 PolarHBondContact O-N 3.47Å; Q43-N45 PolarHBondContact NE2-O 2.96Å; Q43-N49 HydrophobicContact CG-CB 4.13Å; Q43-N49 PolarHBondContact NE2-ND2 2.96Å; Q43-N52 VanDerWaalsContact CG-O 3.31Å; Q43-N52 WeakPolarHBondContact CG-O 3.35Å; Q43-C53 HydrophobicContact CG-CB 4.4Å; Q43-C53 CarbonylContact O-C 3.6Å; Q43-C53 WeakPolarHBondContact O-CA 3.18Å; Q43-C53 VanDerWaalsContact O-CB 3.3Å; Q43-C53 WeakPolarHBondContact O-CB 3.43Å; Q43-L54 PolarHBondContact O-N 2.94Å | ||
| 44 | V | 96.3 | Very high | 94.6 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | trans | -92.2 | -10.9 | -176.5 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | C42 C46 C84 R103 | C42-V44 VanDerWaalsContact C-N 3.26Å; C42-V44 PolarHBondContact O-N 3.46Å; V44-C46 PolarHBondContact O-N 3.06Å; V44-C84 HydrophobicContact CG1-CB 4.03Å; V44-R103 WeakPolarHBondContact O-CD 3.44Å | ||
| 45 | N | 95 | Very high | 94.6 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.353 | 28% | 0.278 | S | S | . | . | trans | -84.6 | 94.7 | 176.7 | -173.5 | -17.1 | 0 | 0 | 0 | 110.6 | Q43 N47 N48 N49 | Q43-N45 PolarHBondContact NE2-O 2.96Å; N45-N47 WeakPolarHBondContact OD1-CB 3.23Å; N45-N47 PolarHBondContact OD1-N 2.96Å; N45-N48 PolarHBondContact ND2-ND2 3.19Å; N45-N48 VanDerWaalsContact ND2-ND2 3.2Å; N45-N48 PolarHBondContact OD1-N 3.07Å; N45-N48 VanDerWaalsContact OD1-N 3.12Å; N45-N49 PolarHBondContact O-N 3.06Å | ||
| 46 | C | 95.1 | Very high | 94.6 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.6 | 177.1 | -65.7 | 0 | 0 | 0 | 0 | 114.4 | V44 P50 C53 | V44-C46 PolarHBondContact O-N 3.06Å; C46-P50 WeakPolarHBondContact O-CA 3.37Å; C46-P50 WeakPolarHBondContact O-CB 3.49Å; C46-P50 WeakPolarHBondContact O-CD 3.21Å; C46-P50 VanDerWaalsContact O-N 3.16Å; C46-C53 WeakPolarHBondContact CA-SG 3.36Å; C46-C53 HydrophobicContact CB-CB 3.86Å; C46-C53 WeakPolarHBondContact CB-SG 3.44Å; C46-C53 WeakPolarHBondContact SG-CB 3.47Å; C46-C53 CovalentContact SG-SG 2.03Å; C46-C53 PolarHBondContact SG-SG 3.46Å |
| 47 | N | 94 | Very high | 94.5 | Very high | 154 Ų | 154 | 57.3 Ų | 57.3 | 82% | 0.824 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -39.9 | 175.3 | -64.7 | -21.9 | 0 | 0 | 0 | 110.7 | N45 | N45-N47 WeakPolarHBondContact OD1-CB 3.23Å; N45-N47 PolarHBondContact OD1-N 2.96Å |
| 48 | N | 91.1 | Very high | 94.5 | Very high | 118 Ų | 118 | 54.8 Ų | 54.8 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -32.5 | 179.7 | -67.5 | 5.4 | 0 | 0 | 0 | 112.6 | N45 | N45-N48 PolarHBondContact ND2-ND2 3.19Å; N45-N48 VanDerWaalsContact ND2-ND2 3.2Å; N45-N48 PolarHBondContact OD1-N 3.07Å; N45-N48 VanDerWaalsContact OD1-N 3.12Å |
| 49 | N | 91 | Very high | 94.6 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | trans | -132.7 | 62.8 | -174.9 | -70.3 | -65.5 | 0 | 0 | 0 | 111.6 | Q43 N45 N51 N52 C53 | Q43-N49 HydrophobicContact CG-CB 4.13Å; Q43-N49 PolarHBondContact NE2-ND2 2.96Å; N45-N49 PolarHBondContact O-N 3.06Å; N49-N51 PolarHBondContact O-N 2.87Å; N49-N51 VanDerWaalsContact O-N 3.17Å; N49-N52 HydrophobicContact CB-CB 4.46Å; N49-N52 CarbonylContact O-C 3.3Å; N49-N52 PolarHBondContact O-N 2.69Å; N49-C53 VanDerWaalsContact O-CB 3.32Å; N49-C53 WeakPolarHBondContact O-CB 3.4Å; N49-C53 PolarHBondContact O-N 3.46Å | ||
| 50 | P | 88.3 | Confident | 94.8 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.1 | -171.7 | 22.8 | -34 | 0 | 0 | 0 | 113.6 | C46 | C46-P50 WeakPolarHBondContact O-CA 3.37Å; C46-P50 WeakPolarHBondContact O-CB 3.49Å; C46-P50 WeakPolarHBondContact O-CD 3.21Å; C46-P50 VanDerWaalsContact O-N 3.16Å |
| 51 | N | 87.3 | Confident | 94.9 | Very high | 110 Ų | 110 | 53.9 Ų | 53.9 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -19 | 179.4 | -68 | -30.1 | 0 | 0 | 0 | 113.7 | N49 R61 | N49-N51 PolarHBondContact O-N 2.87Å; N49-N51 VanDerWaalsContact O-N 3.17Å; N51-R61 PolarHBondContact O-NH1 2.89Å; N51-R61 VanDerWaalsContact O-NH1 3.12Å; N51-R61 PolarHBondContact O-NH2 2.84Å |
| 52 | N | 89.2 | Confident | 95.1 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 21.2 | -170.6 | -67.1 | -29.3 | 0 | 0 | 0 | 113 | Q43 N49 | Q43-N52 VanDerWaalsContact CG-O 3.31Å; Q43-N52 WeakPolarHBondContact CG-O 3.35Å; N49-N52 HydrophobicContact CB-CB 4.46Å; N49-N52 CarbonylContact O-C 3.3Å; N49-N52 PolarHBondContact O-N 2.69Å |
| 53 | C | 95.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -95.9 | 149.5 | 172 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | Q43 C46 N49 S55 A58 | Q43-C53 HydrophobicContact CG-CB 4.4Å; Q43-C53 CarbonylContact O-C 3.6Å; Q43-C53 WeakPolarHBondContact O-CA 3.18Å; Q43-C53 VanDerWaalsContact O-CB 3.3Å; Q43-C53 WeakPolarHBondContact O-CB 3.43Å; C46-C53 WeakPolarHBondContact CA-SG 3.36Å; C46-C53 HydrophobicContact CB-CB 3.86Å; C46-C53 WeakPolarHBondContact CB-SG 3.44Å; C46-C53 WeakPolarHBondContact SG-CB 3.47Å; C46-C53 CovalentContact SG-SG 2.03Å; C46-C53 PolarHBondContact SG-SG 3.46Å; N49-C53 VanDerWaalsContact O-CB 3.32Å; N49-C53 WeakPolarHBondContact O-CB 3.4Å; N49-C53 PolarHBondContact O-N 3.46Å; C53-S55 PolarHBondContact O-N 2.89Å; C53-S55 PolarHBondContact O-OG 2.85Å; C53-S55 PolarHBondContact SG-OG 3.4Å; C53-S55 VanDerWaalsContact SG-OG 3.41Å; C53-A58 VanDerWaalsContact O-CB 3.29Å; C53-A58 WeakPolarHBondContact O-CB 3.5Å |
| 54 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -67.3 | 92.1 | 172.7 | 179.5 | 61.4 | 0 | 0 | 0 | 110 | T36 L40 Q43 I59 D83 C84 W85 R103 F104 | T36-L54 HydrophobicContact CG2-CD1 3.66Å; L40-L54 HydrophobicContact CB-CB 4.45Å; L40-L54 HydrophobicContact CD1-CD1 4.21Å; Q43-L54 PolarHBondContact O-N 2.94Å; L54-I59 HydrophobicContact CD1-CD1 4.33Å; L54-D83 WeakPolarHBondContact CD2-O 3.42Å; L54-C84 VanDerWaalsContact CD2-C 3.48Å; L54-C84 HydrophobicContact CD2-CB 4Å; L54-W85 HydrophobicContact CD2-CB 4.32Å; L54-R103 WeakPolarHBondContact O-CD 3.29Å; L54-R103 PolarHBondContact O-NH1 3.15Å; L54-F104 HydrophobicContact CD1-CZ 4.45Å; L54-F104 HydrophobicContact CG-CZ 4.35Å |
| 55 | S | 97.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -146.1 | 157.8 | -174.3 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | C53 N57 A58 I59 R103 | C53-S55 PolarHBondContact O-N 2.89Å; C53-S55 PolarHBondContact O-OG 2.85Å; C53-S55 PolarHBondContact SG-OG 3.4Å; C53-S55 VanDerWaalsContact SG-OG 3.41Å; S55-N57 PolarHBondContact O-N 3.21Å; S55-A58 WeakPolarHBondContact O-CB 3.44Å; S55-A58 PolarHBondContact O-N 3.43Å; S55-A58 PolarHBondContact OG-N 3.06Å; S55-I59 WeakPolarHBondContact O-CG1 3.49Å; S55-I59 PolarHBondContact O-N 3.15Å; S55-I59 VanDerWaalsContact O-N 3.08Å; S55-R103 WeakPolarHBondContact CA-O 3.32Å |
| 56 | E | 98.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50 | -43.8 | 176.5 | -176.2 | -178.1 | 161.4 | 0 | 0 | 112.5 | A58 I59 K60 R103 F104 P105 S106 L111 | E56-A58 PolarHBondContact O-N 3.13Å; E56-I59 PolarHBondContact O-N 3.15Å; E56-K60 HydrophobicContact CG-CD 4.17Å; E56-K60 HydrophobicContact CG-CG 4.47Å; E56-K60 WeakPolarHBondContact O-CG 3.14Å; E56-K60 PolarHBondContact O-N 3.16Å; E56-K60 WeakPolarHBondContact OE1-CE 3.29Å; E56-K60 IonicContact OE1-NZ 2.7Å; E56-K60 PolarHBondContact OE1-NZ 2.97Å; E56-R103 WeakPolarHBondContact CB-O 3.45Å; E56-R103 PolarHBondContact N-O 3.03Å; E56-F104 HydrophobicContact CB-CD1 3.85Å; E56-F104 HydrophobicContact CB-CE1 4.46Å; E56-F104 HydrophobicContact CB-CG 4.43Å; E56-P105 WeakPolarHBondContact OE2-CD 3.22Å; E56-S106 WeakPolarHBondContact OE1-CB 3.28Å; E56-S106 PolarHBondContact OE1-OG 3.01Å; E56-S106 WeakPolarHBondContact OE2-CB 3.44Å; E56-S106 PolarHBondContact OE2-N 2.85Å; E56-S106 VanDerWaalsContact OE2-N 3.1Å; E56-L111 HydrophobicContact CG-CD1 4.4Å |
| 57 | N | 96.9 | Very high | 95.7 | Very high | 119 Ų | 119 | 48 Ų | 48 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 178.4 | -73.2 | -20.8 | 0 | 0 | 0 | 112.8 | S55 I59 R61 | S55-N57 PolarHBondContact O-N 3.21Å; N57-I59 VanDerWaalsContact C-N 3.35Å; N57-R61 WeakPolarHBondContact O-CB 3.28Å; N57-R61 PolarHBondContact O-N 2.9Å |
| 58 | A | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L40 C53 S55 E56 T62 | L40-A58 HydrophobicContact CD1-CB 4.09Å; C53-A58 VanDerWaalsContact O-CB 3.29Å; C53-A58 WeakPolarHBondContact O-CB 3.5Å; S55-A58 WeakPolarHBondContact O-CB 3.44Å; S55-A58 PolarHBondContact O-N 3.43Å; S55-A58 PolarHBondContact OG-N 3.06Å; E56-A58 PolarHBondContact O-N 3.13Å; A58-T62 WeakPolarHBondContact O-CB 3.21Å; A58-T62 PolarHBondContact O-N 2.86Å; A58-T62 PolarHBondContact O-OG1 3.23Å |
| 59 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 176.5 | -53.1 | -53.5 | 0 | 0 | 0 | 111 | W34 T36 L40 L54 S55 E56 N57 R61 T62 A63 V79 L81 F104 L111 | W34-I59 HydrophobicContact CH2-CD1 4.37Å; W34-I59 HydrophobicContact CZ3-CD1 4.01Å; T36-I59 HydrophobicContact CG2-CD1 3.53Å; L40-I59 HydrophobicContact CD1-CD1 4.4Å; L54-I59 HydrophobicContact CD1-CD1 4.33Å; S55-I59 WeakPolarHBondContact O-CG1 3.49Å; S55-I59 PolarHBondContact O-N 3.15Å; S55-I59 VanDerWaalsContact O-N 3.08Å; E56-I59 PolarHBondContact O-N 3.15Å; N57-I59 VanDerWaalsContact C-N 3.35Å; I59-R61 PolarHBondContact O-N 3.02Å; I59-T62 PolarHBondContact O-N 2.78Å; I59-A63 WeakPolarHBondContact O-CB 3.48Å; I59-A63 PolarHBondContact O-N 2.75Å; I59-V79 HydrophobicContact CG2-CG1 3.59Å; I59-L81 HydrophobicContact CB-CD2 4.48Å; I59-L81 HydrophobicContact CD1-CD2 3.41Å; I59-L81 VanDerWaalsContact CD1-CD2 3.41Å; I59-L81 HydrophobicContact CG1-CD2 3.53Å; I59-L81 HydrophobicContact CG2-CD2 4.14Å; I59-F104 HydrophobicContact CG1-CE1 4.35Å; I59-L111 HydrophobicContact CB-CD1 4.23Å; I59-L111 HydrophobicContact CB-CD2 4.39Å; I59-L111 HydrophobicContact CG2-CD1 3.94Å; I59-L111 HydrophobicContact CG2-CD2 4.14Å; I59-L111 HydrophobicContact CG2-CG 4.49Å |
| 60 | K | 98.3 | Very high | 96.6 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 18% | 0.183 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 177.7 | -72.6 | -176.5 | 165.4 | 167.3 | 0 | 112.1 | E56 T62 A63 D64 L111 Y114 | E56-K60 HydrophobicContact CG-CD 4.17Å; E56-K60 HydrophobicContact CG-CG 4.47Å; E56-K60 WeakPolarHBondContact O-CG 3.14Å; E56-K60 PolarHBondContact O-N 3.16Å; E56-K60 WeakPolarHBondContact OE1-CE 3.29Å; E56-K60 IonicContact OE1-NZ 2.7Å; E56-K60 PolarHBondContact OE1-NZ 2.97Å; K60-T62 VanDerWaalsContact C-N 3.33Å; K60-T62 PolarHBondContact O-N 2.78Å; K60-A63 WeakPolarHBondContact O-CB 3.27Å; K60-A63 PolarHBondContact O-N 3.49Å; K60-D64 PolarHBondContact O-N 2.85Å; K60-L111 HydrophobicContact CG-CD1 4.11Å; K60-Y114 HydrophobicContact CB-CD1 4.43Å; K60-Y114 HydrophobicContact CB-CE1 3.74Å; K60-Y114 HydrophobicContact CD-CD1 4.31Å; K60-Y114 HydrophobicContact CD-CD2 4.28Å; K60-Y114 HydrophobicContact CD-CE1 4.23Å; K60-Y114 HydrophobicContact CD-CE2 4.18Å; K60-Y114 HydrophobicContact CD-CG 4.31Å; K60-Y114 HydrophobicContact CG-CD1 3.73Å; K60-Y114 HydrophobicContact CG-CE1 3.53Å; K60-Y114 HydrophobicContact CG-CE2 4.37Å; K60-Y114 HydrophobicContact CG-CG 4.22Å |
| 61 | R | 97.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.4 | 173.1 | 169.6 | 30 | 95.3 | 0.4 | 112.6 | N51 N57 I59 K65 | N51-R61 PolarHBondContact O-NH1 2.89Å; N51-R61 VanDerWaalsContact O-NH1 3.12Å; N51-R61 PolarHBondContact O-NH2 2.84Å; N57-R61 WeakPolarHBondContact O-CB 3.28Å; N57-R61 PolarHBondContact O-N 2.9Å; I59-R61 PolarHBondContact O-N 3.02Å; R61-K65 PolarHBondContact O-N 2.91Å; R61-K65 VanDerWaalsContact O-N 3.1Å |
| 62 | T | 98 | Very high | 97.6 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | 175.7 | -57.9 | 0 | 0 | 0 | 0 | 111 | W34 A58 I59 K60 D64 K65 L66 M293 | W34-T62 HydrophobicContact CD2-CG2 3.63Å; W34-T62 HydrophobicContact CE3-CG2 3.94Å; W34-T62 HydrophobicContact CG-CG2 4.01Å; W34-T62 HydrophobicContact CH2-CG2 4.22Å; W34-T62 HydrophobicContact CZ2-CG2 3.97Å; W34-T62 HydrophobicContact CZ3-CG2 4.2Å; A58-T62 WeakPolarHBondContact O-CB 3.21Å; A58-T62 PolarHBondContact O-N 2.86Å; A58-T62 PolarHBondContact O-OG1 3.23Å; I59-T62 PolarHBondContact O-N 2.78Å; K60-T62 VanDerWaalsContact C-N 3.33Å; K60-T62 PolarHBondContact O-N 2.78Å; T62-D64 PolarHBondContact O-N 3.08Å; T62-K65 WeakPolarHBondContact O-CB 3.29Å; T62-K65 PolarHBondContact O-N 3.19Å; T62-K65 VanDerWaalsContact O-N 3.11Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.15Å; T62-M293 HydrophobicContact CG2-CB 4.4Å; T62-M293 HydrophobicContact CG2-CG 3.77Å |
| 63 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I59 K60 K65 L66 V67 Y114 L115 L120 | I59-A63 WeakPolarHBondContact O-CB 3.48Å; I59-A63 PolarHBondContact O-N 2.75Å; K60-A63 WeakPolarHBondContact O-CB 3.27Å; K60-A63 PolarHBondContact O-N 3.49Å; A63-K65 PolarHBondContact O-N 3.22Å; A63-L66 PolarHBondContact O-N 3.25Å; A63-V67 WeakPolarHBondContact O-CG2 3.39Å; A63-V67 PolarHBondContact O-N 2.87Å; A63-V67 VanDerWaalsContact O-N 3.1Å; A63-Y114 HydrophobicContact CB-CE1 4.31Å; A63-L115 HydrophobicContact CB-CD2 3.35Å; A63-L120 HydrophobicContact CB-CD1 3.65Å |
| 64 | D | 98.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 34% | 0.337 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.9 | -38.5 | 173.6 | -77.2 | -29.6 | 0 | 0 | 0 | 111.8 | K60 T62 V67 S68 Y114 K118 | K60-D64 PolarHBondContact O-N 2.85Å; T62-D64 PolarHBondContact O-N 3.08Å; D64-V67 PolarHBondContact O-N 2.66Å; D64-S68 VanDerWaalsContact O-CB 3.31Å; D64-S68 WeakPolarHBondContact O-CB 3.19Å; D64-S68 PolarHBondContact O-N 3.21Å; D64-S68 PolarHBondContact O-OG 3.16Å; D64-Y114 PolarHBondContact OD1-OH 3.48Å; D64-Y114 PolarHBondContact OD2-OH 2.57Å; D64-K118 WeakPolarHBondContact OD1-CE 3.39Å; D64-K118 IonicContact OD1-NZ 3.8Å; D64-K118 PolarHBondContact OD1-NZ 2.61Å |
| 65 | K | 98.1 | Very high | 98.1 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.4 | -39.6 | 176.9 | -161.6 | 56.9 | 164.1 | 150.7 | 0 | 112.5 | R61 T62 A63 V67 S68 D69 M293 | R61-K65 PolarHBondContact O-N 2.91Å; R61-K65 VanDerWaalsContact O-N 3.1Å; T62-K65 WeakPolarHBondContact O-CB 3.29Å; T62-K65 PolarHBondContact O-N 3.19Å; T62-K65 VanDerWaalsContact O-N 3.11Å; A63-K65 PolarHBondContact O-N 3.22Å; K65-V67 PolarHBondContact O-N 3.2Å; K65-S68 WeakPolarHBondContact CA-OG 3.48Å; K65-D69 VanDerWaalsContact CD-OD2 3.24Å; K65-D69 WeakPolarHBondContact CD-OD2 3.49Å; K65-D69 WeakPolarHBondContact CE-OD2 3.36Å; K65-D69 IonicContact NZ-OD1 2.65Å; K65-D69 PolarHBondContact NZ-OD1 3.48Å; K65-D69 IonicContact NZ-OD2 3.68Å; K65-D69 PolarHBondContact NZ-OD2 3.37Å; K65-D69 WeakPolarHBondContact O-CB 3.5Å; K65-D69 PolarHBondContact O-N 3.41Å; K65-D69 VanDerWaalsContact O-N 3.08Å; K65-M293 HydrophobicContact CB-CB 4.01Å; K65-M293 VanDerWaalsContact CE-O 3.3Å; K65-M293 WeakPolarHBondContact CE-O 3.23Å; K65-M293 HydrophobicContact CG-CB 3.7Å; K65-M293 VanDerWaalsContact CG-O 3.31Å; K65-M293 WeakPolarHBondContact CG-O 3.05Å |
| 66 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -37.4 | 174.2 | -69.1 | 177.7 | 0 | 0 | 0 | 111.8 | W34 T62 A63 W71 R72 V79 L120 M293 | W34-L66 HydrophobicContact CB-CD1 4.07Å; W34-L66 HydrophobicContact CB-CD2 4.46Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.15Å; A63-L66 PolarHBondContact O-N 3.25Å; L66-W71 HydrophobicContact CB-CB 4.35Å; L66-W71 HydrophobicContact CD2-CB 3.71Å; L66-W71 HydrophobicContact CD2-CG 4Å; L66-W71 WeakPolarHBondContact O-CA 3.31Å; L66-W71 WeakPolarHBondContact O-CB 3.4Å; L66-W71 PolarHBondContact O-N 3.01Å; L66-R72 PolarHBondContact O-N 3.29Å; L66-V79 HydrophobicContact CD1-CG2 3.68Å; L66-L120 HydrophobicContact CB-CD2 4.48Å; L66-L120 HydrophobicContact CD1-CD2 4.44Å; L66-M293 HydrophobicContact CD2-CE 3.95Å; L66-M293 HydrophobicContact CD2-CG 4.39Å |
| 67 | V | 98.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.4 | -59.3 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | A63 D64 K65 D69 G70 K118 L120 | A63-V67 WeakPolarHBondContact O-CG2 3.39Å; A63-V67 PolarHBondContact O-N 2.87Å; A63-V67 VanDerWaalsContact O-N 3.1Å; D64-V67 PolarHBondContact O-N 2.66Å; K65-V67 PolarHBondContact O-N 3.2Å; V67-D69 VanDerWaalsContact C-N 3.27Å; V67-D69 PolarHBondContact O-N 2.88Å; V67-G70 PolarHBondContact O-N 2.96Å; V67-K118 HydrophobicContact CG2-CB 3.88Å; V67-K118 HydrophobicContact CG2-CD 4.21Å; V67-K118 HydrophobicContact CG2-CG 4.33Å; V67-L120 HydrophobicContact CG2-CD1 4.16Å |
| 68 | S | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 38.5 Ų | 38.5 | 62% | 0.622 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.1 | -31 | -169.6 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | D64 K65 | D64-S68 VanDerWaalsContact O-CB 3.31Å; D64-S68 WeakPolarHBondContact O-CB 3.19Å; D64-S68 PolarHBondContact O-N 3.21Å; D64-S68 PolarHBondContact O-OG 3.16Å; K65-S68 WeakPolarHBondContact CA-OG 3.48Å |
| 69 | D | 98 | Very high | 98.4 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.7 | 175.6 | -68 | -3 | 0 | 0 | 0 | 113.5 | K65 V67 R305 | K65-D69 VanDerWaalsContact CD-OD2 3.24Å; K65-D69 WeakPolarHBondContact CD-OD2 3.49Å; K65-D69 WeakPolarHBondContact CE-OD2 3.36Å; K65-D69 IonicContact NZ-OD1 2.65Å; K65-D69 PolarHBondContact NZ-OD1 3.48Å; K65-D69 IonicContact NZ-OD2 3.68Å; K65-D69 PolarHBondContact NZ-OD2 3.37Å; K65-D69 WeakPolarHBondContact O-CB 3.5Å; K65-D69 PolarHBondContact O-N 3.41Å; K65-D69 VanDerWaalsContact O-N 3.08Å; V67-D69 VanDerWaalsContact C-N 3.27Å; V67-D69 PolarHBondContact O-N 2.88Å; D69-R305 VanDerWaalsContact O-CZ 3.22Å; D69-R305 PolarHBondContact O-NH1 3.25Å; D69-R305 PolarHBondContact O-NH2 3.22Å |
| 70 | G | 98 | Very high | 98.4 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 16.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V67 D73 L74 | V67-G70 PolarHBondContact O-N 2.96Å; G70-D73 PolarHBondContact O-N 3.24Å; G70-L74 PolarHBondContact O-N 3.24Å |
| 71 | W | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -41.7 | 174.2 | -58.7 | 99.1 | 0 | 0 | 0 | 111.8 | L66 D73 L74 G75 Y76 I289 M293 A301 L304 R305 | L66-W71 HydrophobicContact CB-CB 4.35Å; L66-W71 HydrophobicContact CD2-CB 3.71Å; L66-W71 HydrophobicContact CD2-CG 4Å; L66-W71 WeakPolarHBondContact O-CA 3.31Å; L66-W71 WeakPolarHBondContact O-CB 3.4Å; L66-W71 PolarHBondContact O-N 3.01Å; W71-D73 VanDerWaalsContact C-N 3.25Å; W71-D73 PolarHBondContact O-N 3.01Å; W71-L74 WeakPolarHBondContact O-CB 3.32Å; W71-L74 PolarHBondContact O-N 2.92Å; W71-L74 VanDerWaalsContact O-N 3.14Å; W71-G75 PolarHBondContact O-N 2.99Å; W71-Y76 HydrophobicContact CB-CD2 4.36Å; W71-Y76 HydrophobicContact CE3-CD2 4.16Å; W71-Y76 HydrophobicContact CE3-CE2 4.17Å; W71-Y76 WeakPolarHBondContact O-CB 3.43Å; W71-Y76 WeakPolarHBondContact O-CD2 3.43Å; W71-Y76 PolarHBondContact O-N 2.92Å; W71-Y76 VanDerWaalsContact O-N 3.16Å; W71-I289 HydrophobicContact CE3-CD1 4.22Å; W71-I289 HydrophobicContact CZ3-CD1 4.32Å; W71-M293 HydrophobicContact CD2-CE 3.72Å; W71-M293 HydrophobicContact CE3-CE 4.38Å; W71-M293 HydrophobicContact CG-CE 4Å; W71-M293 HydrophobicContact CH2-CE 4.42Å; W71-M293 HydrophobicContact CZ2-CE 3.78Å; W71-A301 HydrophobicContact CH2-CB 3.93Å; W71-A301 HydrophobicContact CZ2-CB 4.39Å; W71-L304 HydrophobicContact CH2-CB 4.15Å; W71-L304 HydrophobicContact CH2-CD1 4.19Å; W71-L304 HydrophobicContact CZ3-CB 3.61Å; W71-L304 HydrophobicContact CZ3-CD1 4.22Å; W71-R305 HydrophobicContact CE3-CG 4.04Å; W71-R305 HydrophobicContact CH2-CG 3.93Å; W71-R305 VanDerWaalsContact CH2-NE 3.34Å; W71-R305 VanDerWaalsContact CZ2-NH2 3.35Å; W71-R305 HydrophobicContact CZ3-CG 3.46Å; W71-R305 VanDerWaalsContact CZ3-CG 3.46Å; W71-R305 VanDerWaalsContact NE1-NH2 3.13Å |
| 72 | R | 98.5 | Very high | 98.5 | Very high | 45 Ų | 45 | 33.2 Ų | 33.2 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -55.2 | -43.5 | 175.8 | 179.5 | -162.2 | 68 | 169.4 | 3.4 | 111.7 | L66 L74 G75 K77 K118 D119 L120 | L66-R72 PolarHBondContact O-N 3.29Å; R72-L74 PolarHBondContact O-N 3.13Å; R72-G75 WeakPolarHBondContact O-CA 3.21Å; R72-G75 PolarHBondContact O-N 3.48Å; R72-K77 HydrophobicContact CG-CG 4.24Å; R72-K118 WeakPolarHBondContact CD-O 3.26Å; R72-K118 PolarHBondContact NH1-O 2.96Å; R72-D119 IonicContact CZ-OD2 3.16Å; R72-D119 IonicContact NH1-OD2 3.17Å; R72-D119 PolarHBondContact NH1-OD2 3.16Å; R72-L120 HydrophobicContact CB-CD2 4.04Å; R72-L120 HydrophobicContact CG-CD2 3.78Å |
| 73 | D | 98.3 | Very high | 98.4 | Very high | 112 Ų | 112 | 32.9 Ų | 32.9 | 60% | 0.599 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -71.3 | -22.1 | -176 | -60.9 | -13.6 | 0 | 0 | 0 | 111.9 | G70 W71 G75 | G70-D73 PolarHBondContact O-N 3.24Å; W71-D73 VanDerWaalsContact C-N 3.25Å; W71-D73 PolarHBondContact O-N 3.01Å; D73-G75 VanDerWaalsContact C-N 3.28Å |
| 74 | L | 98.2 | Very high | 98.4 | Very high | 64 Ų | 64 | 33 Ų | 33 | 34% | 0.335 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -79.2 | -8.1 | 169.1 | -66.2 | 169.9 | 0 | 0 | 0 | 113.5 | G70 W71 R72 Y76 R305 L310 | G70-L74 PolarHBondContact O-N 3.24Å; W71-L74 WeakPolarHBondContact O-CB 3.32Å; W71-L74 PolarHBondContact O-N 2.92Å; W71-L74 VanDerWaalsContact O-N 3.14Å; R72-L74 PolarHBondContact O-N 3.13Å; L74-Y76 HydrophobicContact CB-CD2 4.22Å; L74-Y76 HydrophobicContact CB-CE2 4.45Å; L74-R305 HydrophobicContact CD1-CB 3.81Å; L74-R305 HydrophobicContact CD1-CG 3.57Å; L74-L310 HydrophobicContact CB-CD1 4.32Å; L74-L310 HydrophobicContact CD2-CD1 4.5Å |
| 75 | G | 98.2 | Very high | 98.4 | Very high | 25 Ų | 25 | 30 Ų | 30 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 113.9 | -9.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M32 W71 R72 D73 K77 | M32-G75 WeakPolarHBondContact CB-O 3.42Å; W71-G75 PolarHBondContact O-N 2.99Å; R72-G75 WeakPolarHBondContact O-CA 3.21Å; R72-G75 PolarHBondContact O-N 3.48Å; D73-G75 VanDerWaalsContact C-N 3.28Å; G75-K77 VanDerWaalsContact C-N 3.29Å; G75-K77 PolarHBondContact O-N 3.03Å |
| 76 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -71.4 | 80.5 | 178.1 | -64.6 | -83.5 | 0 | 0 | 0 | 111.3 | M32 G33 W71 L74 L287 I289 L304 | M32-Y76 HydrophobicContact CB-CD1 3.96Å; M32-Y76 HydrophobicContact CB-CE1 4.34Å; M32-Y76 HydrophobicContact CB-CG 4.37Å; M32-Y76 HydrophobicContact CE-CD1 4.06Å; M32-Y76 HydrophobicContact CE-CD2 3.79Å; M32-Y76 HydrophobicContact CE-CE1 3.77Å; M32-Y76 HydrophobicContact CE-CE2 3.49Å; M32-Y76 VanDerWaalsContact CE-CE2 3.49Å; M32-Y76 HydrophobicContact CE-CG 4.07Å; M32-Y76 VanDerWaalsContact CE-CZ 3.49Å; G33-Y76 WeakPolarHBondContact O-CD1 3.43Å; W71-Y76 HydrophobicContact CB-CD2 4.36Å; W71-Y76 HydrophobicContact CE3-CD2 4.16Å; W71-Y76 HydrophobicContact CE3-CE2 4.17Å; W71-Y76 WeakPolarHBondContact O-CB 3.43Å; W71-Y76 WeakPolarHBondContact O-CD2 3.43Å; W71-Y76 PolarHBondContact O-N 2.92Å; W71-Y76 VanDerWaalsContact O-N 3.16Å; L74-Y76 HydrophobicContact CB-CD2 4.22Å; L74-Y76 HydrophobicContact CB-CE2 4.45Å; Y76-L287 HydrophobicContact CE1-CB 4.13Å; Y76-L287 WeakPolarHBondContact CE1-O 3.49Å; Y76-I289 HydrophobicContact CD1-CD1 3.62Å; Y76-I289 HydrophobicContact CD1-CG1 4.04Å; Y76-I289 HydrophobicContact CD2-CD1 4.46Å; Y76-I289 HydrophobicContact CE1-CD1 3.45Å; Y76-I289 VanDerWaalsContact CE1-CD1 3.45Å; Y76-I289 HydrophobicContact CE1-CG1 3.68Å; Y76-I289 HydrophobicContact CE2-CD1 4.31Å; Y76-I289 HydrophobicContact CG-CD1 4.14Å; Y76-L304 WeakPolarHBondContact CE2-O 3.44Å; Y76-L304 PolarHBondContact OH-O 3.19Å | ||
| 77 | K | 98.7 | Very high | 98.4 | Very high | 98 Ų | 98 | 28.1 Ų | 28.1 | 43% | 0.426 | 16% | 0.159 | S | C | . | . | trans | -104.8 | -28 | -169.5 | -69 | -179.3 | -178.9 | -174.2 | 0 | 114.3 | M32 R72 G75 L120 L121 | M32-K77 PolarHBondContact O-N 2.9Å; R72-K77 HydrophobicContact CG-CG 4.24Å; G75-K77 VanDerWaalsContact C-N 3.29Å; G75-K77 PolarHBondContact O-N 3.03Å; K77-L120 CarbonylContact O-C 3.56Å; K77-L120 WeakPolarHBondContact O-CA 3.18Å; K77-L120 WeakPolarHBondContact O-CD2 3.3Å; K77-L121 PolarHBondContact O-N 2.97Å | ||
| 78 | Y | 98.9 | Very high | 98.3 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 135.9 | 178.5 | -69.9 | -83 | 0 | 0 | 0 | 111.1 | P31 M32 G33 W34 L121 D156 Y157 T189 | P31-Y78 HydrophobicContact CB-CD2 3.84Å; P31-Y78 HydrophobicContact CB-CE2 3.69Å; P31-Y78 HydrophobicContact CG-CE2 4.42Å; M32-Y78 WeakPolarHBondContact O-CD2 3.13Å; M32-Y78 PolarHBondContact O-N 3.25Å; M32-Y78 VanDerWaalsContact O-N 3.17Å; G33-Y78 CarbonylContact C-O 3.38Å; G33-Y78 WeakPolarHBondContact CA-O 3.42Å; W34-Y78 PolarHBondContact N-O 3.28Å; Y78-L121 CarbonylContact C-O 3.58Å; Y78-L121 WeakPolarHBondContact CA-O 3.17Å; Y78-L121 HydrophobicContact CD1-CB 3.71Å; Y78-L121 HydrophobicContact CD1-CD1 4.2Å; Y78-L121 HydrophobicContact CE1-CB 3.86Å; Y78-L121 HydrophobicContact CE1-CD1 3.68Å; Y78-L121 HydrophobicContact CE1-CG 4.44Å; Y78-L121 HydrophobicContact CE2-CD1 4.09Å; Y78-L121 HydrophobicContact CG-CB 4.35Å; Y78-D156 HydrophobicContact CE1-CB 4.35Å; Y78-Y157 HydrophobicContact CD1-CD2 4.1Å; Y78-Y157 HydrophobicContact CD1-CG 4.32Å; Y78-Y157 HydrophobicContact CE1-CD2 4.04Å; Y78-Y157 HydrophobicContact CE1-CG 4.42Å; Y78-T189 PolarHBondContact OH-OG1 3.17Å |
| 79 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 106.4 | 168.2 | -179.7 | 0 | 0 | 0 | 0 | 106.9 | W34 I59 L66 L115 L120 L121 G123 | W34-V79 HydrophobicContact CE3-CG1 4.12Å; W34-V79 HydrophobicContact CZ3-CG1 4.46Å; W34-V79 WeakPolarHBondContact O-CA 3.4Å; I59-V79 HydrophobicContact CG2-CG1 3.59Å; L66-V79 HydrophobicContact CD1-CG2 3.68Å; V79-L115 HydrophobicContact CB-CD1 3.98Å; V79-L115 HydrophobicContact CB-CD2 4.31Å; V79-L115 HydrophobicContact CG1-CD1 4.35Å; V79-L115 HydrophobicContact CG2-CD2 4.06Å; V79-L120 HydrophobicContact CG2-CD1 4.22Å; V79-L121 PolarHBondContact N-O 3.27Å; V79-G123 PolarHBondContact O-N 2.83Å |
| 80 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.5 | -168.2 | -56.2 | 174.2 | 0 | 0 | 0 | 110.1 | W34 N35 T36 D82 G123 Y157 L288 | W34-I80 PolarHBondContact O-N 3.36Å; N35-I80 WeakPolarHBondContact CA-O 3.34Å; N35-I80 HydrophobicContact CB-CB 4.23Å; T36-I80 PolarHBondContact N-O 3.13Å; T36-I80 VanDerWaalsContact N-O 3.16Å; I80-D82 PolarHBondContact O-N 3.37Å; I80-G123 WeakPolarHBondContact CA-O 3Å; I80-Y157 HydrophobicContact CD1-CD1 4.08Å; I80-Y157 HydrophobicContact CD1-CE1 3.88Å; I80-Y157 HydrophobicContact CD1-CE2 4.35Å; I80-Y157 HydrophobicContact CD1-CG 4.43Å; I80-Y157 HydrophobicContact CG1-CD1 4.39Å; I80-L288 HydrophobicContact CD1-CD1 3.7Å; I80-L288 HydrophobicContact CD1-CD2 3.67Å; I80-L288 HydrophobicContact CD1-CG 4.32Å |
| 81 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 108.7 | 167.1 | -49.6 | -173.4 | 0 | 0 | 0 | 108.4 | T36 I59 W85 F104 I108 L111 L122 G123 I124 T125 | T36-L81 HydrophobicContact CG2-CD2 4.17Å; I59-L81 HydrophobicContact CB-CD2 4.48Å; I59-L81 HydrophobicContact CD1-CD2 3.41Å; I59-L81 VanDerWaalsContact CD1-CD2 3.41Å; I59-L81 HydrophobicContact CG1-CD2 3.53Å; I59-L81 HydrophobicContact CG2-CD2 4.14Å; L81-W85 HydrophobicContact CB-CB 4.23Å; L81-W85 HydrophobicContact CB-CG 4.15Å; L81-W85 HydrophobicContact CD1-CB 4.24Å; L81-W85 HydrophobicContact CD1-CG 4.33Å; L81-F104 HydrophobicContact CD1-CE1 4.06Å; L81-F104 HydrophobicContact CD1-CZ 4.39Å; L81-I108 HydrophobicContact CD1-CD1 3.93Å; L81-L111 HydrophobicContact CD1-CD2 4.03Å; L81-L122 HydrophobicContact CD1-CD1 4.38Å; L81-L122 HydrophobicContact CG-CD1 4.12Å; L81-G123 PolarHBondContact N-O 3.12Å; L81-I124 HydrophobicContact CD1-CG2 4.41Å; L81-I124 CarbonylContact O-C 3.32Å; L81-T125 WeakPolarHBondContact O-CB 3.36Å; L81-T125 PolarHBondContact O-N 3.37Å; L81-T125 PolarHBondContact O-OG1 3.34Å |
| 82 | D | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -74.2 | -176.2 | 170 | -135.4 | -67.7 | 0 | 0 | 0 | 110.4 | N35 T36 W37 I80 W85 T125 K159 H161 | N35-D82 PolarHBondContact ND2-OD2 2.95Å; N35-D82 WeakPolarHBondContact OD1-CB 3.43Å; N35-D82 PolarHBondContact OD1-OD2 2.95Å; T36-D82 VanDerWaalsContact OG1-CB 3.25Å; T36-D82 WeakPolarHBondContact OG1-CB 3.47Å; T36-D82 PolarHBondContact OG1-N 2.96Å; W37-D82 HydrophobicContact CB-CB 3.79Å; W37-D82 HydrophobicContact CE3-CB 4.13Å; I80-D82 PolarHBondContact O-N 3.37Å; D82-W85 VanDerWaalsContact O-CD1 3.28Å; D82-T125 VanDerWaalsContact CA-OG1 3.31Å; D82-T125 WeakPolarHBondContact CA-OG1 3.28Å; D82-K159 IonicContact OD1-NZ 3.96Å; D82-K159 PolarHBondContact OD1-NZ 3.1Å; D82-K159 IonicContact OD2-NZ 2.86Å; D82-K159 PolarHBondContact OD2-NZ 2.85Å; D82-H161 IonicContact OD1-NE2 2.9Å | ||
| 83 | D | 97.5 | Very high | 98 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 162.8 | -177.3 | -155.2 | -5.1 | 0 | 0 | 0 | 113.4 | W37 L54 T132 C133 S134 | W37-D83 HydrophobicContact CZ3-CB 4.12Å; L54-D83 WeakPolarHBondContact CD2-O 3.42Å; D83-T132 VanDerWaalsContact CG-OG1 3.28Å; D83-T132 VanDerWaalsContact OD1-CB 3.27Å; D83-T132 WeakPolarHBondContact OD1-CB 3.36Å; D83-T132 PolarHBondContact OD1-OG1 3.48Å; D83-T132 WeakPolarHBondContact OD2-CB 3.48Å; D83-T132 PolarHBondContact OD2-OG1 3.4Å; D83-T132 VanDerWaalsContact OD2-OG1 3.05Å; D83-C133 PolarHBondContact OD2-N 3.23Å; D83-S134 VanDerWaalsContact CG-OG 3.25Å; D83-S134 WeakPolarHBondContact OD2-CB 3.38Å; D83-S134 PolarHBondContact OD2-N 2.92Å; D83-S134 PolarHBondContact OD2-OG 2.91Å |
| 84 | C | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 6 | -178.3 | -58.8 | 0 | 0 | 0 | 0 | 117.6 | C42 V44 L54 R103 S134 Y136 | C42-C84 HydrophobicContact CB-CB 3.73Å; C42-C84 WeakPolarHBondContact CB-SG 3.46Å; C42-C84 WeakPolarHBondContact SG-CB 3.38Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 2.99Å; V44-C84 HydrophobicContact CG1-CB 4.03Å; L54-C84 VanDerWaalsContact CD2-C 3.48Å; L54-C84 HydrophobicContact CD2-CB 4Å; C84-R103 VanDerWaalsContact O-CZ 3.24Å; C84-R103 PolarHBondContact O-NH1 3.43Å; C84-R103 PolarHBondContact O-NH2 3.03Å; C84-S134 WeakPolarHBondContact SG-CB 3.46Å; C84-Y136 HydrophobicContact CB-CE2 3.79Å; C84-Y136 WeakPolarHBondContact SG-CE2 3.49Å |
| 85 | W | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -76.2 | -27.6 | 172 | 71.3 | -90.8 | 0 | 0 | 0 | 113.5 | L54 L81 D82 I97 A99 D100 F104 I108 I124 T125 L126 W153 | L54-W85 HydrophobicContact CD2-CB 4.32Å; L81-W85 HydrophobicContact CB-CB 4.23Å; L81-W85 HydrophobicContact CB-CG 4.15Å; L81-W85 HydrophobicContact CD1-CB 4.24Å; L81-W85 HydrophobicContact CD1-CG 4.33Å; D82-W85 VanDerWaalsContact O-CD1 3.28Å; W85-I97 HydrophobicContact CH2-CD1 4.47Å; W85-A99 HydrophobicContact CE3-CB 3.71Å; W85-A99 HydrophobicContact CZ3-CB 3.79Å; W85-D100 PolarHBondContact O-N 2.84Å; W85-D100 VanDerWaalsContact O-N 3.08Å; W85-F104 HydrophobicContact CB-CE2 4.05Å; W85-F104 HydrophobicContact CB-CZ 4.05Å; W85-I108 HydrophobicContact CE3-CD1 3.7Å; W85-I108 HydrophobicContact CE3-CG1 3.99Å; W85-I108 HydrophobicContact CH2-CG1 4.21Å; W85-I108 HydrophobicContact CZ3-CD1 3.78Å; W85-I108 HydrophobicContact CZ3-CG1 3.49Å; W85-I108 VanDerWaalsContact CZ3-CG1 3.49Å; W85-I124 HydrophobicContact CH2-CD1 4.2Å; W85-I124 HydrophobicContact CZ2-CB 4.18Å; W85-I124 HydrophobicContact CZ2-CD1 3.78Å; W85-I124 HydrophobicContact CZ2-CG1 4.36Å; W85-T125 PolarHBondContact NE1-O 3.46Å; W85-L126 HydrophobicContact CZ2-CD2 4.03Å; W85-W153 HydrophobicContact CH2-CH2 4.06Å; W85-W153 AromaticContact CH2-CZ3 3.76Å; W85-W153 HydrophobicContact CH2-CZ3 3.76Å; W85-W153 HydrophobicContact CZ3-CZ3 4.43Å | ||
| 86 | L | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 154.4 | -179 | -71.9 | 162.4 | 0 | 0 | 0 | 112.3 | I97 M98 R103 T132 Y136 | L86-I97 HydrophobicContact CD2-CB 3.79Å; L86-I97 HydrophobicContact CD2-CG2 4.02Å; L86-M98 WeakPolarHBondContact CA-O 3.23Å; L86-R103 PolarHBondContact O-NH2 3.21Å; L86-T132 HydrophobicContact CD1-CG2 3.88Å; L86-Y136 HydrophobicContact CB-CD1 3.74Å; L86-Y136 HydrophobicContact CB-CG 4.18Å; L86-Y136 VanDerWaalsContact O-CD1 3.23Å; L86-Y136 WeakPolarHBondContact O-CD1 3.49Å; L86-Y136 WeakPolarHBondContact O-CE1 3.47Å |
| 87 | A | 98.2 | Very high | 97.9 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | trans | -67 | 157.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q89 M98 P137 | A87-Q89 PolarHBondContact O-N 3.28Å; A87-M98 HydrophobicContact CB-CE 4.01Å; A87-M98 HydrophobicContact CB-CG 3.75Å; A87-M98 HydrophobicContact CB-SD 4.39Å; A87-M98 PolarHBondContact N-O 2.9Å; A87-P137 VanDerWaalsContact O-CD 3.27Å; A87-P137 WeakPolarHBondContact O-CD 3.48Å | ||
| 88 | K | 97.4 | Very high | 97.8 | Very high | 123 Ų | 123 | 47.5 Ų | 47.5 | 54% | 0.535 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -68.4 | -14.9 | 179.2 | -73.6 | -65.3 | -174.4 | -173.7 | 0 | 114.1 | Y136 | K88-Y136 HydrophobicContact CD-CD1 3.97Å; K88-Y136 HydrophobicContact CD-CE1 3.71Å; K88-Y136 HydrophobicContact CG-CE1 4.32Å; K88-Y136 PolarHBondContact NZ-OH 3.06Å |
| 89 | Q | 97.2 | Very high | 97.8 | Very high | 152 Ų | 152 | 46.5 Ų | 46.5 | 71% | 0.71 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -135.3 | 153.2 | 177.5 | -61.3 | -178.4 | 14.7 | 0 | 0 | 109.4 | A87 | A87-Q89 PolarHBondContact O-N 3.28Š|
| 90 | R | 97.8 | Very high | 97.7 | Very high | 29 Ų | 29 | 48 Ų | 48 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | trans | -67.4 | 159.8 | 167.6 | -73.3 | 169.9 | 172.1 | -82.2 | -6 | 109.6 | N95 R96 P137 G138 H142 D146 | R90-N95 WeakPolarHBondContact CD-O 3.28Å; R90-N95 WeakPolarHBondContact CD-OD1 3.49Å; R90-N95 PolarHBondContact NH1-O 3.48Å; R90-R96 CarbonylContact C-O 3.36Å; R90-R96 WeakPolarHBondContact CA-O 3.33Å; R90-R96 WeakPolarHBondContact CB-O 3.46Å; R90-P137 HydrophobicContact CG-CB 3.92Å; R90-P137 HydrophobicContact CG-CG 4.4Å; R90-G138 PolarHBondContact NH2-O 3.12Å; R90-H142 PolarHBondContact NE-ND1 2.93Å; R90-D146 IonicContact CZ-OD1 2.64Å; R90-D146 IonicContact CZ-OD2 3.49Å; R90-D146 IonicContact NH1-OD1 2.99Å; R90-D146 PolarHBondContact NH1-OD1 2.84Å; R90-D146 IonicContact NH1-OD2 2.75Å; R90-D146 IonicContact NH2-OD1 3.99Å; R90-D146 PolarHBondContact NH2-OD1 3.46Å; R90-D146 IonicContact NH2-OD2 3.86Å; R90-D146 PolarHBondContact NH2-OD2 3.03Å | ||
| 91 | D | 97 | Very high | 97.7 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | trans | -57.6 | 124 | 172.6 | 175.6 | -86.9 | 0 | 0 | 0 | 109.7 | K93 T94 N95 R96 M98 | D91-K93 PolarHBondContact O-N 3.39Å; D91-K93 VanDerWaalsContact O-N 3.16Å; D91-K93 PolarHBondContact OD1-N 2.92Å; D91-T94 WeakPolarHBondContact CB-OG1 3.24Å; D91-T94 VanDerWaalsContact CG-OG1 3.25Å; D91-T94 WeakPolarHBondContact OD1-CB 3.13Å; D91-T94 PolarHBondContact OD1-N 2.84Å; D91-T94 PolarHBondContact OD1-OG1 3.46Å; D91-N95 WeakPolarHBondContact O-CA 3.42Å; D91-N95 PolarHBondContact O-N 2.91Å; D91-R96 PolarHBondContact N-O 3.25Å; D91-M98 HydrophobicContact CB-SD 4.11Å | ||
| 92 | P | 96 | Very high | 97.6 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 81% | 0.805 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.8 | -170.4 | 26.9 | -35.3 | 0 | 0 | 0 | 114 | ||
| 93 | K | 97.2 | Very high | 97.5 | Very high | 198 Ų | 198 | 56.8 Ų | 56.8 | 86% | 0.861 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -43.8 | -178.9 | -65.5 | -178 | 179 | 179.4 | 0 | 112 | D91 | D91-K93 PolarHBondContact O-N 3.39Å; D91-K93 VanDerWaalsContact O-N 3.16Å; D91-K93 PolarHBondContact OD1-N 2.92Å |
| 94 | T | 97.2 | Very high | 97.6 | Very high | 75 Ų | 75 | 57 Ų | 57 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -14.1 | -173.8 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | D91 R96 | D91-T94 WeakPolarHBondContact CB-OG1 3.24Å; D91-T94 VanDerWaalsContact CG-OG1 3.25Å; D91-T94 WeakPolarHBondContact OD1-CB 3.13Å; D91-T94 PolarHBondContact OD1-N 2.84Å; D91-T94 PolarHBondContact OD1-OG1 3.46Å; T94-R96 PolarHBondContact O-N 3.32Å; T94-R96 VanDerWaalsContact O-N 3.15Å; T94-R96 PolarHBondContact OG1-N 2.95Å |
| 95 | N | 97.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 61.4 Ų | 61.4 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | trans | 60.5 | 15.5 | -175.2 | -159.2 | 23.5 | 0 | 0 | 0 | 114.3 | R90 D91 H142 L145 | R90-N95 WeakPolarHBondContact CD-O 3.28Å; R90-N95 WeakPolarHBondContact CD-OD1 3.49Å; R90-N95 PolarHBondContact NH1-O 3.48Å; D91-N95 WeakPolarHBondContact O-CA 3.42Å; D91-N95 PolarHBondContact O-N 2.91Å; N95-H142 PolarHBondContact ND2-CD2 3.16Å; N95-H142 PolarHBondContact ND2-NE2 3.09Å; N95-L145 HydrophobicContact CB-CD2 4.32Å; N95-L145 WeakPolarHBondContact O-CD2 3.3Å | ||
| 96 | R | 97.8 | Very high | 97.6 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 28% | 0.275 | 35% | 0.352 | S | S | . | . | trans | -72.8 | 146.9 | 177 | -70.7 | 176.6 | 170.4 | -149.4 | -9.1 | 110.7 | R90 D91 T94 L145 E152 | R90-R96 CarbonylContact C-O 3.36Å; R90-R96 WeakPolarHBondContact CA-O 3.33Å; R90-R96 WeakPolarHBondContact CB-O 3.46Å; D91-R96 PolarHBondContact N-O 3.25Å; T94-R96 PolarHBondContact O-N 3.32Å; T94-R96 VanDerWaalsContact O-N 3.15Å; T94-R96 PolarHBondContact OG1-N 2.95Å; R96-L145 HydrophobicContact CG-CD1 3.79Å; R96-L145 HydrophobicContact CG-CD2 4.17Å; R96-L145 HydrophobicContact CG-CG 4.04Å; R96-E152 IonicContact CZ-OE1 3.75Å; R96-E152 IonicContact CZ-OE2 3.79Å; R96-E152 IonicContact NH1-OE1 3.58Å; R96-E152 IonicContact NH1-OE2 3.94Å; R96-E152 PolarHBondContact NH1-OE2 3.33Å; R96-E152 VanDerWaalsContact NH2-CD 3.31Å; R96-E152 IonicContact NH2-OE1 3.15Å; R96-E152 PolarHBondContact NH2-OE1 2.82Å; R96-E152 IonicContact NH2-OE2 2.68Å; R96-E152 PolarHBondContact NH2-OE2 3.07Å | ||
| 97 | I | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | trans | -57.7 | 145.4 | 158.9 | 47 | 169 | 0 | 0 | 0 | 109.5 | W85 L86 L126 D146 W153 | W85-I97 HydrophobicContact CH2-CD1 4.47Å; L86-I97 HydrophobicContact CD2-CB 3.79Å; L86-I97 HydrophobicContact CD2-CG2 4.02Å; I97-L126 HydrophobicContact CD1-CD1 4.38Å; I97-L126 HydrophobicContact CD1-CD2 3.42Å; I97-L126 VanDerWaalsContact CD1-CD2 3.42Å; I97-D146 HydrophobicContact CD1-CB 4.08Å; I97-D146 HydrophobicContact CG1-CB 4.45Å; I97-W153 HydrophobicContact CB-CH2 4.5Å; I97-W153 HydrophobicContact CD1-CH2 3.99Å; I97-W153 HydrophobicContact CD1-CZ3 3.95Å; I97-W153 HydrophobicContact CG1-CH2 3.77Å; I97-W153 HydrophobicContact CG1-CZ3 4.25Å; I97-W153 VanDerWaalsContact O-CH2 3.29Å; I97-W153 WeakPolarHBondContact O-CH2 3.44Å; I97-W153 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 98 | M | 97.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 28% | 0.281 | 36% | 0.361 | S | S | . | . | trans | -143.2 | 149.6 | 177.4 | 58.3 | 179.7 | -89 | 0 | 0 | 109.6 | L86 A87 D91 P101 | L86-M98 WeakPolarHBondContact CA-O 3.23Å; A87-M98 HydrophobicContact CB-CE 4.01Å; A87-M98 HydrophobicContact CB-CG 3.75Å; A87-M98 HydrophobicContact CB-SD 4.39Å; A87-M98 PolarHBondContact N-O 2.9Å; D91-M98 HydrophobicContact CB-SD 4.11Å; M98-P101 HydrophobicContact CE-CB 4.46Å; M98-P101 HydrophobicContact CE-CG 4.04Å | ||
| 99 | A | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 65 Ų | 65 | 8% | 0.083 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 155.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | W85 P101 F104 I108 | W85-A99 HydrophobicContact CE3-CB 3.71Å; W85-A99 HydrophobicContact CZ3-CB 3.79Å; A99-P101 WeakPolarHBondContact O-CD 3.2Å; A99-F104 HydrophobicContact CB-CB 3.58Å; A99-F104 HydrophobicContact CB-CD2 4Å; A99-F104 HydrophobicContact CB-CG 3.88Å; A99-I108 HydrophobicContact CB-CD1 3.73Å; A99-I108 HydrophobicContact CB-CG1 3.84Å |
| 100 | D | 98.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | trans | -60.2 | 117.2 | 172.3 | -175.3 | -49.9 | 0 | 0 | 0 | 110.3 | W85 S102 R103 F104 | W85-D100 PolarHBondContact O-N 2.84Å; W85-D100 VanDerWaalsContact O-N 3.08Å; D100-S102 PolarHBondContact O-N 3.2Å; D100-S102 WeakPolarHBondContact OD1-CB 3.28Å; D100-S102 PolarHBondContact OD1-N 3.07Å; D100-S102 PolarHBondContact OD1-OG 3.4Å; D100-R103 HydrophobicContact CB-CB 4.32Å; D100-R103 VanDerWaalsContact CG-NE 3.3Å; D100-R103 PolarHBondContact O-N 3.05Å; D100-R103 VanDerWaalsContact O-N 3.11Å; D100-R103 PolarHBondContact OD1-N 3.23Å; D100-R103 IonicContact OD1-NE 2.61Å; D100-R103 IonicContact OD2-CZ 3.08Å; D100-R103 IonicContact OD2-NE 3.32Å; D100-R103 PolarHBondContact OD2-NE 3.33Å; D100-R103 VanDerWaalsContact OD2-NE 3.08Å; D100-R103 IonicContact OD2-NH2 2.88Å; D100-R103 PolarHBondContact OD2-NH2 3.14Å; D100-R103 VanDerWaalsContact OD2-NH2 3.15Å; D100-F104 PolarHBondContact O-N 3.01Å | ||
| 101 | P | 97 | Very high | 97.8 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.8 | -170.8 | 28.3 | -35.2 | 0 | 0 | 0 | 112.9 | M98 A99 P105 | M98-P101 HydrophobicContact CE-CB 4.46Å; M98-P101 HydrophobicContact CE-CG 4.04Å; A99-P101 WeakPolarHBondContact O-CD 3.2Å; P101-P105 WeakPolarHBondContact O-CA 3.31Å |
| 102 | S | 96.7 | Very high | 97.8 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -29.8 | 175.8 | 72 | 0 | 0 | 0 | 0 | 112.3 | D100 | D100-S102 PolarHBondContact O-N 3.2Å; D100-S102 WeakPolarHBondContact OD1-CB 3.28Å; D100-S102 PolarHBondContact OD1-N 3.07Å; D100-S102 PolarHBondContact OD1-OG 3.4Å |
| 103 | R | 97.6 | Very high | 98 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -25.2 | -175.9 | -62.8 | -178.7 | -67.3 | 128.3 | -6.5 | 113.2 | V44 L54 S55 E56 C84 L86 D100 P105 | V44-R103 WeakPolarHBondContact O-CD 3.44Å; L54-R103 WeakPolarHBondContact O-CD 3.29Å; L54-R103 PolarHBondContact O-NH1 3.15Å; S55-R103 WeakPolarHBondContact CA-O 3.32Å; E56-R103 WeakPolarHBondContact CB-O 3.45Å; E56-R103 PolarHBondContact N-O 3.03Å; C84-R103 VanDerWaalsContact O-CZ 3.24Å; C84-R103 PolarHBondContact O-NH1 3.43Å; C84-R103 PolarHBondContact O-NH2 3.03Å; L86-R103 PolarHBondContact O-NH2 3.21Å; D100-R103 HydrophobicContact CB-CB 4.32Å; D100-R103 VanDerWaalsContact CG-NE 3.3Å; D100-R103 PolarHBondContact O-N 3.05Å; D100-R103 VanDerWaalsContact O-N 3.11Å; D100-R103 PolarHBondContact OD1-N 3.23Å; D100-R103 IonicContact OD1-NE 2.61Å; D100-R103 IonicContact OD2-CZ 3.08Å; D100-R103 IonicContact OD2-NE 3.32Å; D100-R103 PolarHBondContact OD2-NE 3.33Å; D100-R103 VanDerWaalsContact OD2-NE 3.08Å; D100-R103 IonicContact OD2-NH2 2.88Å; D100-R103 PolarHBondContact OD2-NH2 3.14Å; D100-R103 VanDerWaalsContact OD2-NH2 3.15Å; R103-P105 VanDerWaalsContact C-CD 3.42Å |
| 104 | F | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | trans | -128.5 | 61.8 | 177.9 | -59.5 | -92.6 | 0 | 0 | 0 | 110.1 | L54 E56 I59 L81 W85 A99 D100 S106 G107 I108 L111 | L54-F104 HydrophobicContact CD1-CZ 4.45Å; L54-F104 HydrophobicContact CG-CZ 4.35Å; E56-F104 HydrophobicContact CB-CD1 3.85Å; E56-F104 HydrophobicContact CB-CE1 4.46Å; E56-F104 HydrophobicContact CB-CG 4.43Å; I59-F104 HydrophobicContact CG1-CE1 4.35Å; L81-F104 HydrophobicContact CD1-CE1 4.06Å; L81-F104 HydrophobicContact CD1-CZ 4.39Å; W85-F104 HydrophobicContact CB-CE2 4.05Å; W85-F104 HydrophobicContact CB-CZ 4.05Å; A99-F104 HydrophobicContact CB-CB 3.58Å; A99-F104 HydrophobicContact CB-CD2 4Å; A99-F104 HydrophobicContact CB-CG 3.88Å; D100-F104 PolarHBondContact O-N 3.01Å; F104-S106 PolarHBondContact O-N 3.41Å; F104-G107 PolarHBondContact O-N 3.24Å; F104-I108 HydrophobicContact CD1-CD1 4.36Å; F104-L111 HydrophobicContact CD1-CD2 4.23Å; F104-L111 HydrophobicContact CE1-CD2 4.13Å | ||
| 105 | P | 97.6 | Very high | 98.1 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 62% | 0.623 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.3 | -173.3 | 26.2 | -36.5 | 0 | 0 | 0 | 113.6 | E56 P101 R103 | E56-P105 WeakPolarHBondContact OE2-CD 3.22Å; P101-P105 WeakPolarHBondContact O-CA 3.31Å; R103-P105 VanDerWaalsContact C-CD 3.42Å |
| 106 | S | 98.4 | Very high | 98.2 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 49% | 0.49 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5.2 | 175.8 | -57 | 0 | 0 | 0 | 0 | 113.7 | E56 F104 S110 | E56-S106 WeakPolarHBondContact OE1-CB 3.28Å; E56-S106 PolarHBondContact OE1-OG 3.01Å; E56-S106 WeakPolarHBondContact OE2-CB 3.44Å; E56-S106 PolarHBondContact OE2-N 2.85Å; E56-S106 VanDerWaalsContact OE2-N 3.1Å; F104-S106 PolarHBondContact O-N 3.41Å; S106-S110 VanDerWaalsContact O-CB 3.25Å; S106-S110 WeakPolarHBondContact O-CB 3.22Å |
| 107 | G | 98.1 | Very high | 98.3 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | 74.7 | 170 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F104 K109 S110 L111 | F104-G107 PolarHBondContact O-N 3.24Å; G107-K109 PolarHBondContact O-N 3.03Å; G107-S110 PolarHBondContact O-N 3.15Å; G107-L111 PolarHBondContact O-N 3.15Å |
| 108 | I | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | -174 | -62.7 | -53 | 0 | 0 | 0 | 112.6 | L81 W85 A99 F104 S110 L111 T112 L122 I124 W153 V155 | L81-I108 HydrophobicContact CD1-CD1 3.93Å; W85-I108 HydrophobicContact CE3-CD1 3.7Å; W85-I108 HydrophobicContact CE3-CG1 3.99Å; W85-I108 HydrophobicContact CH2-CG1 4.21Å; W85-I108 HydrophobicContact CZ3-CD1 3.78Å; W85-I108 HydrophobicContact CZ3-CG1 3.49Å; W85-I108 VanDerWaalsContact CZ3-CG1 3.49Å; A99-I108 HydrophobicContact CB-CD1 3.73Å; A99-I108 HydrophobicContact CB-CG1 3.84Å; F104-I108 HydrophobicContact CD1-CD1 4.36Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 2.82Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 2.87Å; I108-L111 VanDerWaalsContact O-N 3.1Å; I108-T112 PolarHBondContact O-N 3.42Å; I108-T112 PolarHBondContact O-OG1 2.89Å; I108-T112 VanDerWaalsContact O-OG1 3.09Å; I108-L122 HydrophobicContact CG2-CD2 3.66Å; I108-I124 HydrophobicContact CG2-CG2 4.42Å; I108-W153 HydrophobicContact CB-CD2 3.94Å; I108-W153 HydrophobicContact CB-CE3 3.97Å; I108-W153 HydrophobicContact CB-CG 4.22Å; I108-W153 HydrophobicContact CB-CZ3 4.48Å; I108-W153 HydrophobicContact CG1-CE3 4.39Å; I108-W153 HydrophobicContact CG1-CZ3 4.42Å; I108-W153 HydrophobicContact CG2-CB 4.03Å; I108-W153 HydrophobicContact CG2-CD2 4.04Å; I108-W153 HydrophobicContact CG2-CE3 3.78Å; I108-W153 HydrophobicContact CG2-CG 4.19Å; I108-V155 HydrophobicContact CG2-CG2 4.05Å |
| 109 | K | 98.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 178.7 | -174.2 | 175.5 | 177.1 | 178.4 | 0 | 112.3 | G107 L111 T112 E113 W153 | G107-K109 PolarHBondContact O-N 3.03Å; K109-L111 VanDerWaalsContact C-N 3.31Å; K109-L111 PolarHBondContact O-N 2.88Å; K109-T112 WeakPolarHBondContact O-CB 3.35Å; K109-T112 PolarHBondContact O-N 2.84Å; K109-E113 WeakPolarHBondContact CE-OE1 3.35Å; K109-E113 WeakPolarHBondContact O-CG 3.4Å; K109-E113 PolarHBondContact O-N 3Å; K109-W153 HydrophobicContact CB-CB 4.35Å; K109-W153 HydrophobicContact CB-CG 4.41Å |
| 110 | S | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 177.6 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | S106 G107 I108 E113 Y114 | S106-S110 VanDerWaalsContact O-CB 3.25Å; S106-S110 WeakPolarHBondContact O-CB 3.22Å; G107-S110 PolarHBondContact O-N 3.15Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 2.82Å; S110-E113 PolarHBondContact O-N 3.42Å; S110-Y114 WeakPolarHBondContact O-CB 3.32Å; S110-Y114 PolarHBondContact O-N 2.74Å |
| 111 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.3 | -179.3 | 59.9 | 0 | 0 | 0 | 111.9 | E56 I59 K60 L81 F104 G107 I108 K109 Y114 L115 L122 | E56-L111 HydrophobicContact CG-CD1 4.4Å; I59-L111 HydrophobicContact CB-CD1 4.23Å; I59-L111 HydrophobicContact CB-CD2 4.39Å; I59-L111 HydrophobicContact CG2-CD1 3.94Å; I59-L111 HydrophobicContact CG2-CD2 4.14Å; I59-L111 HydrophobicContact CG2-CG 4.49Å; K60-L111 HydrophobicContact CG-CD1 4.11Å; L81-L111 HydrophobicContact CD1-CD2 4.03Å; F104-L111 HydrophobicContact CD1-CD2 4.23Å; F104-L111 HydrophobicContact CE1-CD2 4.13Å; G107-L111 PolarHBondContact O-N 3.15Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 2.87Å; I108-L111 VanDerWaalsContact O-N 3.1Å; K109-L111 VanDerWaalsContact C-N 3.31Å; K109-L111 PolarHBondContact O-N 2.88Å; L111-Y114 PolarHBondContact O-N 3.4Å; L111-L115 HydrophobicContact CG-CD1 4.47Å; L111-L115 WeakPolarHBondContact O-CG 3.37Å; L111-L115 PolarHBondContact O-N 2.89Å; L111-L122 HydrophobicContact CD2-CD1 4.39Å |
| 112 | T | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.2 | -52.6 | 172.6 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | I108 K109 Y114 L115 H116 L122 W153 G154 | I108-T112 PolarHBondContact O-N 3.42Å; I108-T112 PolarHBondContact O-OG1 2.89Å; I108-T112 VanDerWaalsContact O-OG1 3.09Å; K109-T112 WeakPolarHBondContact O-CB 3.35Å; K109-T112 PolarHBondContact O-N 2.84Å; T112-Y114 PolarHBondContact O-N 3.31Å; T112-L115 PolarHBondContact O-N 3.33Å; T112-H116 WeakPolarHBondContact CG2-CE1 3.17Å; T112-H116 WeakPolarHBondContact CG2-NE2 3.37Å; T112-H116 WeakPolarHBondContact O-CB 3.4Å; T112-H116 PolarHBondContact O-N 3.42Å; T112-L122 HydrophobicContact CG2-CB 4.46Å; T112-L122 WeakPolarHBondContact OG1-CD2 3.32Å; T112-W153 WeakPolarHBondContact CB-O 3.43Å; T112-W153 WeakPolarHBondContact CG2-O 3.4Å; T112-W153 PolarHBondContact OG1-O 2.98Å; T112-G154 VanDerWaalsContact CG2-C 3.49Å; T112-G154 WeakPolarHBondContact CG2-O 3.24Å |
| 113 | E | 98.9 | Very high | 98.6 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.9 | -39.8 | -179 | -72.2 | 166.4 | 174.8 | 0 | 0 | 111.2 | K109 S110 S117 | K109-E113 WeakPolarHBondContact CE-OE1 3.35Å; K109-E113 WeakPolarHBondContact O-CG 3.4Å; K109-E113 PolarHBondContact O-N 3Å; S110-E113 PolarHBondContact O-N 3.42Å; E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 3.21Å |
| 114 | Y | 98.9 | Very high | 98.7 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 22% | 0.216 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 174.2 | 178.3 | -88.7 | 0 | 0 | 0 | 112.5 | K60 A63 D64 S110 L111 T112 S117 K118 | K60-Y114 HydrophobicContact CB-CD1 4.43Å; K60-Y114 HydrophobicContact CB-CE1 3.74Å; K60-Y114 HydrophobicContact CD-CD1 4.31Å; K60-Y114 HydrophobicContact CD-CD2 4.28Å; K60-Y114 HydrophobicContact CD-CE1 4.23Å; K60-Y114 HydrophobicContact CD-CE2 4.18Å; K60-Y114 HydrophobicContact CD-CG 4.31Å; K60-Y114 HydrophobicContact CG-CD1 3.73Å; K60-Y114 HydrophobicContact CG-CE1 3.53Å; K60-Y114 HydrophobicContact CG-CE2 4.37Å; K60-Y114 HydrophobicContact CG-CG 4.22Å; A63-Y114 HydrophobicContact CB-CE1 4.31Å; D64-Y114 PolarHBondContact OD1-OH 3.48Å; D64-Y114 PolarHBondContact OD2-OH 2.57Å; S110-Y114 WeakPolarHBondContact O-CB 3.32Å; S110-Y114 PolarHBondContact O-N 2.74Å; L111-Y114 PolarHBondContact O-N 3.4Å; T112-Y114 PolarHBondContact O-N 3.31Å; Y114-S117 PolarHBondContact O-N 2.8Å; Y114-S117 PolarHBondContact O-OG 2.96Å; Y114-K118 HydrophobicContact CD1-CD 4.46Å; Y114-K118 HydrophobicContact CE1-CD 3.9Å; Y114-K118 WeakPolarHBondContact OH-CE 3.48Å |
| 115 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 177.3 | -69 | 176 | 0 | 0 | 0 | 111.9 | A63 V79 L111 T112 S117 K118 D119 L120 L122 | A63-L115 HydrophobicContact CB-CD2 3.35Å; V79-L115 HydrophobicContact CB-CD1 3.98Å; V79-L115 HydrophobicContact CB-CD2 4.31Å; V79-L115 HydrophobicContact CG1-CD1 4.35Å; V79-L115 HydrophobicContact CG2-CD2 4.06Å; L111-L115 HydrophobicContact CG-CD1 4.47Å; L111-L115 WeakPolarHBondContact O-CG 3.37Å; L111-L115 PolarHBondContact O-N 2.89Å; T112-L115 PolarHBondContact O-N 3.33Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.44Å; L115-K118 CarbonylContact O-C 3.28Å; L115-K118 WeakPolarHBondContact O-CA 3.31Å; L115-K118 WeakPolarHBondContact O-CB 3.33Å; L115-K118 PolarHBondContact O-N 3.15Å; L115-D119 PolarHBondContact O-N 3.24Å; L115-L120 CarbonylContact C-O 3.56Å; L115-L120 HydrophobicContact CB-CB 4.1Å; L115-L120 HydrophobicContact CD2-CB 4.26Å; L115-L120 HydrophobicContact CD2-CD1 4Å; L115-L120 WeakPolarHBondContact O-CB 3.49Å; L115-L120 PolarHBondContact O-N 3.13Å; L115-L122 HydrophobicContact CD1-CB 3.81Å; L115-L122 HydrophobicContact CD1-CD1 3.54Å; L115-L122 HydrophobicContact CD1-CG 4.2Å |
| 116 | H | 98.9 | Very high | 98.7 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 175.7 | -71.8 | -178.5 | 0 | 0 | 0 | 111.8 | T112 K118 D119 L120 G154 D156 R186 | T112-H116 WeakPolarHBondContact CG2-CE1 3.17Å; T112-H116 WeakPolarHBondContact CG2-NE2 3.37Å; T112-H116 WeakPolarHBondContact O-CB 3.4Å; T112-H116 PolarHBondContact O-N 3.42Å; H116-K118 PolarHBondContact O-N 3.43Å; H116-D119 PolarHBondContact O-N 2.83Å; H116-L120 PolarHBondContact CD2-O 3.46Å; H116-G154 PolarHBondContact CE1-O 2.93Å; H116-D156 IonicContact CD2-OD2 3.19Å; H116-D156 IonicContact CE1-OD1 3.29Å; H116-D156 IonicContact CE1-OD2 3.16Å; H116-D156 IonicContact NE2-OD1 2.66Å; H116-D156 PolarHBondContact NE2-OD1 3.16Å; H116-D156 IonicContact NE2-OD2 3.63Å; H116-D156 PolarHBondContact NE2-OD2 3.07Å; H116-R186 PolarHBondContact CE1-NH2 3.12Å |
| 117 | S | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 33.3 Ų | 33.3 | 62% | 0.622 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -10.8 | 174.2 | 81 | 0 | 0 | 0 | 0 | 114.1 | E113 Y114 L115 | E113-S117 WeakPolarHBondContact O-CB 3.31Å; E113-S117 PolarHBondContact O-N 3.21Å; Y114-S117 PolarHBondContact O-N 2.8Å; Y114-S117 PolarHBondContact O-OG 2.96Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3.44Å |
| 118 | K | 98.7 | Very high | 98.7 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 20% | 0.2 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 10.3 | 179.7 | -68.2 | 179.4 | -174.6 | -72.6 | 0 | 113.2 | D64 V67 R72 Y114 L115 H116 L120 | D64-K118 WeakPolarHBondContact OD1-CE 3.39Å; D64-K118 IonicContact OD1-NZ 3.8Å; D64-K118 PolarHBondContact OD1-NZ 2.61Å; V67-K118 HydrophobicContact CG2-CB 3.88Å; V67-K118 HydrophobicContact CG2-CD 4.21Å; V67-K118 HydrophobicContact CG2-CG 4.33Å; R72-K118 WeakPolarHBondContact CD-O 3.26Å; R72-K118 PolarHBondContact NH1-O 2.96Å; Y114-K118 HydrophobicContact CD1-CD 4.46Å; Y114-K118 HydrophobicContact CE1-CD 3.9Å; Y114-K118 WeakPolarHBondContact OH-CE 3.48Å; L115-K118 CarbonylContact O-C 3.28Å; L115-K118 WeakPolarHBondContact O-CA 3.31Å; L115-K118 WeakPolarHBondContact O-CB 3.33Å; L115-K118 PolarHBondContact O-N 3.15Å; H116-K118 PolarHBondContact O-N 3.43Å; K118-L120 HydrophobicContact CB-CD1 4.18Å; K118-L120 HydrophobicContact CB-CG 4.27Å; K118-L120 PolarHBondContact O-N 2.93Å |
| 119 | D | 98.6 | Very high | 98.7 | Very high | 106 Ų | 106 | 32.6 Ų | 32.6 | 57% | 0.567 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 31.3 | -172.2 | -45.8 | -61.6 | 0 | 0 | 0 | 113.3 | R72 L115 H116 | R72-D119 IonicContact CZ-OD2 3.16Å; R72-D119 IonicContact NH1-OD2 3.17Å; R72-D119 PolarHBondContact NH1-OD2 3.16Å; L115-D119 PolarHBondContact O-N 3.24Å; H116-D119 PolarHBondContact O-N 2.83Å |
| 120 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -103.7 | 163.4 | 171 | -64.1 | 171.6 | 0 | 0 | 0 | 109.9 | A63 L66 V67 R72 K77 V79 L115 H116 K118 | A63-L120 HydrophobicContact CB-CD1 3.65Å; L66-L120 HydrophobicContact CB-CD2 4.48Å; L66-L120 HydrophobicContact CD1-CD2 4.44Å; V67-L120 HydrophobicContact CG2-CD1 4.16Å; R72-L120 HydrophobicContact CB-CD2 4.04Å; R72-L120 HydrophobicContact CG-CD2 3.78Å; K77-L120 CarbonylContact O-C 3.56Å; K77-L120 WeakPolarHBondContact O-CA 3.18Å; K77-L120 WeakPolarHBondContact O-CD2 3.3Å; V79-L120 HydrophobicContact CG2-CD1 4.22Å; L115-L120 CarbonylContact C-O 3.56Å; L115-L120 HydrophobicContact CB-CB 4.1Å; L115-L120 HydrophobicContact CD2-CB 4.26Å; L115-L120 HydrophobicContact CD2-CD1 4Å; L115-L120 WeakPolarHBondContact O-CB 3.49Å; L115-L120 PolarHBondContact O-N 3.13Å; H116-L120 PolarHBondContact CD2-O 3.46Å; K118-L120 HydrophobicContact CB-CD1 4.18Å; K118-L120 HydrophobicContact CB-CG 4.27Å; K118-L120 PolarHBondContact O-N 2.93Å | ||
| 121 | L | 98.9 | Very high | 98.5 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137 | -176.9 | -60.7 | 173.9 | 0 | 0 | 0 | 109.6 | K77 Y78 V79 D156 | K77-L121 PolarHBondContact O-N 2.97Å; Y78-L121 CarbonylContact C-O 3.58Å; Y78-L121 WeakPolarHBondContact CA-O 3.17Å; Y78-L121 HydrophobicContact CD1-CB 3.71Å; Y78-L121 HydrophobicContact CD1-CD1 4.2Å; Y78-L121 HydrophobicContact CE1-CB 3.86Å; Y78-L121 HydrophobicContact CE1-CD1 3.68Å; Y78-L121 HydrophobicContact CE1-CG 4.44Å; Y78-L121 HydrophobicContact CE2-CD1 4.09Å; Y78-L121 HydrophobicContact CG-CB 4.35Å; V79-L121 PolarHBondContact N-O 3.27Å; L121-D156 WeakPolarHBondContact CA-OD2 3.45Å; L121-D156 HydrophobicContact CB-CB 3.89Å; L121-D156 HydrophobicContact CD2-CB 4.21Å; L121-D156 HydrophobicContact CG-CB 4.5Å |
| 122 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 130.6 | 179.5 | -177.6 | 64.9 | 0 | 0 | 0 | 110.9 | L81 I108 L111 T112 L115 I124 V155 D156 Y157 | L81-L122 HydrophobicContact CD1-CD1 4.38Å; L81-L122 HydrophobicContact CG-CD1 4.12Å; I108-L122 HydrophobicContact CG2-CD2 3.66Å; L111-L122 HydrophobicContact CD2-CD1 4.39Å; T112-L122 HydrophobicContact CG2-CB 4.46Å; T112-L122 WeakPolarHBondContact OG1-CD2 3.32Å; L115-L122 HydrophobicContact CD1-CB 3.81Å; L115-L122 HydrophobicContact CD1-CD1 3.54Å; L115-L122 HydrophobicContact CD1-CG 4.2Å; L122-I124 HydrophobicContact CD2-CG2 4.21Å; L122-I124 HydrophobicContact CG-CG2 4.25Å; L122-V155 HydrophobicContact CD2-CG2 3.99Å; L122-D156 PolarHBondContact N-OD2 2.84Å; L122-D156 WeakPolarHBondContact O-CA 2.85Å; L122-D156 PolarHBondContact O-N 2.58Å; L122-Y157 PolarHBondContact O-N 3.33Å; L122-Y157 VanDerWaalsContact O-N 3.14Å |
| 123 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V79 I80 L81 Y157 | V79-G123 PolarHBondContact O-N 2.83Å; I80-G123 WeakPolarHBondContact CA-O 3Å; L81-G123 PolarHBondContact N-O 3.12Å; G123-Y157 CarbonylContact C-O 3.56Å; G123-Y157 WeakPolarHBondContact CA-O 3.29Å |
| 124 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 159 | 171 | 75 | 178.9 | 0 | 0 | 0 | 111.3 | L81 W85 I108 L122 L126 V150 W153 V155 Y157 V158 K159 | L81-I124 HydrophobicContact CD1-CG2 4.41Å; L81-I124 CarbonylContact O-C 3.32Å; W85-I124 HydrophobicContact CH2-CD1 4.2Å; W85-I124 HydrophobicContact CZ2-CB 4.18Å; W85-I124 HydrophobicContact CZ2-CD1 3.78Å; W85-I124 HydrophobicContact CZ2-CG1 4.36Å; I108-I124 HydrophobicContact CG2-CG2 4.42Å; L122-I124 HydrophobicContact CD2-CG2 4.21Å; L122-I124 HydrophobicContact CG-CG2 4.25Å; I124-L126 HydrophobicContact CD1-CD2 4.11Å; I124-L126 HydrophobicContact CD1-CG 4.36Å; I124-L126 HydrophobicContact CG1-CG 4.45Å; I124-V150 HydrophobicContact CD1-CG2 3.87Å; I124-W153 HydrophobicContact CD1-CE3 4.39Å; I124-W153 HydrophobicContact CD1-CZ3 4.18Å; I124-V155 HydrophobicContact CD1-CG1 4.42Å; I124-V155 HydrophobicContact CD1-CG2 4.18Å; I124-V155 HydrophobicContact CG1-CG1 4.05Å; I124-V155 HydrophobicContact CG2-CG1 4.26Å; I124-V155 HydrophobicContact CG2-CG2 3.96Å; I124-Y157 PolarHBondContact N-O 3.37Å; I124-V158 HydrophobicContact CG1-CG2 4.38Å; I124-V158 WeakPolarHBondContact O-CA 3.38Å; I124-K159 PolarHBondContact O-N 3.03Å |
| 125 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.9 | 173.9 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | L81 D82 W85 K159 H161 | L81-T125 WeakPolarHBondContact O-CB 3.36Å; L81-T125 PolarHBondContact O-N 3.37Å; L81-T125 PolarHBondContact O-OG1 3.34Å; D82-T125 VanDerWaalsContact CA-OG1 3.31Å; D82-T125 WeakPolarHBondContact CA-OG1 3.28Å; W85-T125 PolarHBondContact NE1-O 3.46Å; T125-K159 CarbonylContact C-O 3.51Å; T125-K159 VanDerWaalsContact CA-O 3.26Å; T125-K159 WeakPolarHBondContact CA-O 3.35Å; T125-K159 HydrophobicContact CG2-CB 4.39Å; T125-K159 HydrophobicContact CG2-CD 4.37Å; T125-K159 HydrophobicContact CG2-CG 4.22Å; T125-H161 WeakPolarHBondContact CG2-CD2 3.41Å |
| 126 | L | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 161.8 | 172.5 | -61.1 | -178.4 | 0 | 0 | 0 | 109.7 | W85 I97 I124 D146 V150 V158 K159 M160 H161 F177 | W85-L126 HydrophobicContact CZ2-CD2 4.03Å; I97-L126 HydrophobicContact CD1-CD1 4.38Å; I97-L126 HydrophobicContact CD1-CD2 3.42Å; I97-L126 VanDerWaalsContact CD1-CD2 3.42Å; I124-L126 HydrophobicContact CD1-CD2 4.11Å; I124-L126 HydrophobicContact CD1-CG 4.36Å; I124-L126 HydrophobicContact CG1-CG 4.45Å; L126-D146 HydrophobicContact CD1-CB 4.41Å; L126-V150 HydrophobicContact CD1-CG2 3.98Å; L126-V158 HydrophobicContact CB-CG1 4.44Å; L126-V158 HydrophobicContact CD1-CG1 4.15Å; L126-V158 HydrophobicContact CG-CG1 4.24Å; L126-K159 PolarHBondContact N-O 3.33Å; L126-M160 HydrophobicContact CB-CE 3.76Å; L126-M160 HydrophobicContact CB-SD 3.8Å; L126-M160 HydrophobicContact CD1-CE 4.12Å; L126-H161 WeakPolarHBondContact O-CB 3.29Å; L126-H161 PolarHBondContact O-N 3.28Å; L126-F177 HydrophobicContact CD1-CE2 4.4Å; L126-F177 HydrophobicContact CD1-CZ 3.83Å |
| 127 | G | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G129 G138 S139 | G127-G129 VanDerWaalsContact C-N 3.32Å; G127-G129 PolarHBondContact O-N 3.3Å; G127-G138 CarbonylContact O-C 3.59Å; G127-G138 WeakPolarHBondContact O-CA 3.33Å; G127-S139 WeakPolarHBondContact O-CB 3.29Å; G127-S139 PolarHBondContact O-N 3.31Å; G127-S139 PolarHBondContact O-OG 3.21Å |
| 128 | Y | 98.4 | Very high | 98.1 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 6% | 0.059 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -60.9 | -41.4 | 178.7 | 164.8 | -114.5 | 0 | 0 | 0 | 111.4 | I140 L143 M160 H161 C165 T169 F174 | Y128-I140 HydrophobicContact CE1-CD1 4.39Å; Y128-I140 HydrophobicContact CE2-CG1 4.04Å; Y128-I140 WeakPolarHBondContact O-CA 3.41Å; Y128-I140 WeakPolarHBondContact O-CB 3.08Å; Y128-I140 PolarHBondContact O-N 3.41Å; Y128-L143 HydrophobicContact CD2-CD2 4.13Å; Y128-L143 HydrophobicContact CE2-CD1 4.29Å; Y128-M160 PolarHBondContact N-SD 2.88Å; Y128-H161 VanDerWaalsContact CB-O 3.3Å; Y128-H161 WeakPolarHBondContact CB-O 3.49Å; Y128-H161 PolarHBondContact N-O 3.46Å; Y128-C165 HydrophobicContact CD1-CB 3.83Å; Y128-C165 VanDerWaalsContact CD1-SG 3.51Å; Y128-C165 HydrophobicContact CE1-CB 3.76Å; Y128-T169 PolarHBondContact OH-O 3.31Å; Y128-T169 VanDerWaalsContact OH-O 3.13Å; Y128-T169 PolarHBondContact OH-OG1 2.63Å; Y128-T169 VanDerWaalsContact OH-OG1 3.13Å; Y128-F174 HydrophobicContact CD1-CD2 4.28Å; Y128-F174 AromaticContact CD1-CE2 3.94Å; Y128-F174 HydrophobicContact CD1-CE2 3.94Å; Y128-F174 HydrophobicContact CG-CD2 4.11Å; Y128-F174 AromaticContact CG-CE2 3.85Å; Y128-F174 HydrophobicContact CG-CE2 3.85Å |
| 129 | G | 97.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -71.4 | -159.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G127 M131 G138 S139 I140 C163 H164 | G127-G129 VanDerWaalsContact C-N 3.32Å; G127-G129 PolarHBondContact O-N 3.3Å; G129-M131 PolarHBondContact O-N 2.88Å; G129-G138 CarbonylContact O-C 3.51Å; G129-G138 VanDerWaalsContact O-C 3.32Å; G129-G138 VanDerWaalsContact O-CA 3.23Å; G129-G138 WeakPolarHBondContact O-CA 2.96Å; G129-S139 PolarHBondContact O-N 3.3Å; G129-S139 VanDerWaalsContact O-N 3.11Å; G129-I140 PolarHBondContact O-N 3.48Å; G129-C163 WeakPolarHBondContact CA-O 3.08Å; G129-H164 WeakPolarHBondContact CA-O 3.33Å |
| 130 | N | 97.2 | Very high | 98 | Very high | 105 Ų | 105 | 20.7 Ų | 20.7 | 56% | 0.561 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -67.7 | -27.6 | 176.7 | -74 | -40.4 | 0 | 0 | 0 | 112.4 | G138 I140 H164 | N130-G138 WeakPolarHBondContact O-CA 3.07Å; N130-G138 PolarHBondContact O-N 3.01Å; N130-I140 WeakPolarHBondContact OD1-CG2 3.44Å; N130-H164 PolarHBondContact N-O 3.17Å |
| 131 | M | 97.5 | Very high | 97.9 | Very high | 79 Ų | 79 | 26.7 Ų | 26.7 | 39% | 0.389 | 15% | 0.152 | S | C | . | . | B | Isolated β-bridge | trans | -140.8 | 156.2 | 179 | -54.9 | 179.2 | 88.3 | 0 | 0 | 110.5 | G129 G135 Y136 H164 | G129-M131 PolarHBondContact O-N 2.88Å; M131-G135 VanDerWaalsContact CE-C 3.45Å; M131-G135 VanDerWaalsContact CE-CA 3.47Å; M131-G135 VanDerWaalsContact CE-O 3.24Å; M131-G135 WeakPolarHBondContact CE-O 3.47Å; M131-Y136 CarbonylContact C-O 3.5Å; M131-Y136 WeakPolarHBondContact CA-O 3.39Å; M131-Y136 WeakPolarHBondContact CB-O 3.47Å; M131-H164 HydrophobicContact CB-CB 4.23Å; M131-H164 PolarHBondContact O-CD2 3.41Å |
| 132 | T | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -65.4 | 167 | 161 | 74.7 | 0 | 0 | 0 | 0 | 110.1 | D83 L86 S134 G135 Y136 H164 | D83-T132 VanDerWaalsContact CG-OG1 3.28Å; D83-T132 VanDerWaalsContact OD1-CB 3.27Å; D83-T132 WeakPolarHBondContact OD1-CB 3.36Å; D83-T132 PolarHBondContact OD1-OG1 3.48Å; D83-T132 WeakPolarHBondContact OD2-CB 3.48Å; D83-T132 PolarHBondContact OD2-OG1 3.4Å; D83-T132 VanDerWaalsContact OD2-OG1 3.05Å; L86-T132 HydrophobicContact CD1-CG2 3.88Å; T132-S134 PolarHBondContact O-N 2.85Å; T132-S134 VanDerWaalsContact O-N 3.13Å; T132-S134 PolarHBondContact OG1-N 3.39Å; T132-G135 PolarHBondContact O-N 2.87Å; T132-Y136 PolarHBondContact N-O 3.27Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.32Å; T132-Y136 PolarHBondContact OG1-N 2.99Å; T132-Y136 VanDerWaalsContact OG1-N 3.13Å; T132-H164 PolarHBondContact O-CD2 2.89Å; T132-H164 PolarHBondContact O-NE2 3.11Å | ||
| 133 | C | 96.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 26.9 Ų | 26.9 | 31% | 0.311 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -27 | 179.7 | -56 | 0 | 0 | 0 | 0 | 113.4 | D83 C163 Y197 | D83-C133 PolarHBondContact OD2-N 3.23Å; C133-C163 VanDerWaalsContact CA-SG 3.51Å; C133-C163 HydrophobicContact CB-CB 3.82Å; C133-C163 WeakPolarHBondContact CB-SG 3.41Å; C133-C163 WeakPolarHBondContact SG-CB 3.27Å; C133-C163 CovalentContact SG-SG 2.03Å; C133-C163 PolarHBondContact SG-SG 3.42Å; C133-Y197 PolarHBondContact SG-OH 3.12Å |
| 134 | S | 97.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 32 Ų | 32 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 14.6 | 177.7 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | D83 C84 T132 Y136 | D83-S134 VanDerWaalsContact CG-OG 3.25Å; D83-S134 WeakPolarHBondContact OD2-CB 3.38Å; D83-S134 PolarHBondContact OD2-N 2.92Å; D83-S134 PolarHBondContact OD2-OG 2.91Å; C84-S134 WeakPolarHBondContact SG-CB 3.46Å; T132-S134 PolarHBondContact O-N 2.85Å; T132-S134 VanDerWaalsContact O-N 3.13Å; T132-S134 PolarHBondContact OG1-N 3.39Å; S134-Y136 WeakPolarHBondContact O-CD2 3.25Å; S134-Y136 WeakPolarHBondContact O-CE2 3.26Å |
| 135 | G | 97.4 | Very high | 97.8 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 73.7 | 36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M131 T132 | M131-G135 VanDerWaalsContact CE-C 3.45Å; M131-G135 VanDerWaalsContact CE-CA 3.47Å; M131-G135 VanDerWaalsContact CE-O 3.24Å; M131-G135 WeakPolarHBondContact CE-O 3.47Å; T132-G135 PolarHBondContact O-N 2.87Å |
| 136 | Y | 98.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | trans | -100.2 | 164.7 | 168.7 | -68.7 | -101 | 0 | 0 | 0 | 110.6 | C84 L86 K88 M131 T132 S134 G138 | C84-Y136 HydrophobicContact CB-CE2 3.79Å; C84-Y136 WeakPolarHBondContact SG-CE2 3.49Å; L86-Y136 HydrophobicContact CB-CD1 3.74Å; L86-Y136 HydrophobicContact CB-CG 4.18Å; L86-Y136 VanDerWaalsContact O-CD1 3.23Å; L86-Y136 WeakPolarHBondContact O-CD1 3.49Å; L86-Y136 WeakPolarHBondContact O-CE1 3.47Å; K88-Y136 HydrophobicContact CD-CD1 3.97Å; K88-Y136 HydrophobicContact CD-CE1 3.71Å; K88-Y136 HydrophobicContact CG-CE1 4.32Å; K88-Y136 PolarHBondContact NZ-OH 3.06Å; M131-Y136 CarbonylContact C-O 3.5Å; M131-Y136 WeakPolarHBondContact CA-O 3.39Å; M131-Y136 WeakPolarHBondContact CB-O 3.47Å; T132-Y136 PolarHBondContact N-O 3.27Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.32Å; T132-Y136 PolarHBondContact OG1-N 2.99Å; T132-Y136 VanDerWaalsContact OG1-N 3.13Å; S134-Y136 WeakPolarHBondContact O-CD2 3.25Å; S134-Y136 WeakPolarHBondContact O-CE2 3.26Å; Y136-G138 PolarHBondContact O-N 2.93Å | ||
| 137 | P | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -54.3 | 125.5 | -177.8 | -26.9 | 35.2 | 0 | 0 | 0 | 113 | A87 R90 | A87-P137 VanDerWaalsContact O-CD 3.27Å; A87-P137 WeakPolarHBondContact O-CD 3.48Å; R90-P137 HydrophobicContact CG-CB 3.92Å; R90-P137 HydrophobicContact CG-CG 4.4Å |
| 138 | G | 98.1 | Very high | 97.9 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | trans | -92.4 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R90 G127 G129 N130 Y136 | R90-G138 PolarHBondContact NH2-O 3.12Å; G127-G138 CarbonylContact O-C 3.59Å; G127-G138 WeakPolarHBondContact O-CA 3.33Å; G129-G138 CarbonylContact O-C 3.51Å; G129-G138 VanDerWaalsContact O-C 3.32Å; G129-G138 VanDerWaalsContact O-CA 3.23Å; G129-G138 WeakPolarHBondContact O-CA 2.96Å; N130-G138 WeakPolarHBondContact O-CA 3.07Å; N130-G138 PolarHBondContact O-N 3.01Å; Y136-G138 PolarHBondContact O-N 2.93Å | ||
| 139 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -111.4 | -2.2 | -162.6 | -61.8 | 0 | 0 | 0 | 0 | 114.6 | G127 G129 N141 H142 L143 D146 | G127-S139 WeakPolarHBondContact O-CB 3.29Å; G127-S139 PolarHBondContact O-N 3.31Å; G127-S139 PolarHBondContact O-OG 3.21Å; G129-S139 PolarHBondContact O-N 3.3Å; G129-S139 VanDerWaalsContact O-N 3.11Å; S139-N141 PolarHBondContact O-N 2.94Å; S139-H142 CarbonylContact O-C 3.59Å; S139-H142 WeakPolarHBondContact O-CA 3.18Å; S139-H142 PolarHBondContact O-N 3.23Å; S139-L143 WeakPolarHBondContact O-CD2 3.37Å; S139-L143 WeakPolarHBondContact O-CG 3.44Å; S139-L143 PolarHBondContact O-N 2.99Å; S139-D146 WeakPolarHBondContact CA-OD2 3.3Å; S139-D146 WeakPolarHBondContact CB-OD2 3.32Å; S139-D146 PolarHBondContact OG-OD2 2.76Å | ||
| 140 | I | 96.8 | Very high | 98 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -38.9 | -168.6 | -161.2 | 165.2 | 0 | 0 | 0 | 113.9 | Y128 G129 N130 | Y128-I140 HydrophobicContact CE1-CD1 4.39Å; Y128-I140 HydrophobicContact CE2-CG1 4.04Å; Y128-I140 WeakPolarHBondContact O-CA 3.41Å; Y128-I140 WeakPolarHBondContact O-CB 3.08Å; Y128-I140 PolarHBondContact O-N 3.41Å; G129-I140 PolarHBondContact O-N 3.48Å; N130-I140 WeakPolarHBondContact OD1-CG2 3.44Å |
| 141 | N | 96.5 | Very high | 98 | Very high | 127 Ų | 127 | 34 Ų | 34 | 68% | 0.679 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.2 | 179.3 | -63.5 | -36.8 | 0 | 0 | 0 | 113.6 | S139 | S139-N141 PolarHBondContact O-N 2.94Š|
| 142 | H | 98.1 | Very high | 98.1 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 21% | 0.213 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 16.6 | -172.2 | -53.2 | 101.9 | 0 | 0 | 0 | 113.1 | R90 N95 S139 E144 L145 D146 | R90-H142 PolarHBondContact NE-ND1 2.93Å; N95-H142 PolarHBondContact ND2-CD2 3.16Å; N95-H142 PolarHBondContact ND2-NE2 3.09Å; S139-H142 CarbonylContact O-C 3.59Å; S139-H142 WeakPolarHBondContact O-CA 3.18Å; S139-H142 PolarHBondContact O-N 3.23Å; H142-E144 VanDerWaalsContact C-N 3.29Å; H142-E144 PolarHBondContact O-N 2.96Å; H142-L145 HydrophobicContact CB-CB 4.48Å; H142-L145 WeakPolarHBondContact O-CB 3.38Å; H142-L145 PolarHBondContact O-N 2.72Å; H142-D146 PolarHBondContact O-N 3.16Å |
| 143 | L | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.2 | -44 | -173.1 | -66 | 175.2 | 0 | 0 | 0 | 113.4 | Y128 S139 A147 K176 F177 L180 | Y128-L143 HydrophobicContact CD2-CD2 4.13Å; Y128-L143 HydrophobicContact CE2-CD1 4.29Å; S139-L143 WeakPolarHBondContact O-CD2 3.37Å; S139-L143 WeakPolarHBondContact O-CG 3.44Å; S139-L143 PolarHBondContact O-N 2.99Å; L143-A147 VanDerWaalsContact O-CB 3.26Å; L143-A147 WeakPolarHBondContact O-CB 2.86Å; L143-A147 PolarHBondContact O-N 2.71Å; L143-K176 HydrophobicContact CD1-CB 4.47Å; L143-K176 HydrophobicContact CD1-CD 3.89Å; L143-K176 HydrophobicContact CD1-CG 4.14Å; L143-F177 HydrophobicContact CB-CD2 4.29Å; L143-F177 HydrophobicContact CD2-CB 4.3Å; L143-F177 HydrophobicContact CD2-CD2 3.88Å; L143-F177 HydrophobicContact CD2-CG 4.39Å; L143-L180 HydrophobicContact CB-CD1 3.58Å |
| 144 | E | 98.6 | Very high | 98.2 | Very high | 106 Ų | 106 | 34.8 Ų | 34.8 | 50% | 0.495 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 179.8 | -178.5 | -179.5 | 170.4 | 0 | 0 | 111.7 | H142 K148 L180 | H142-E144 VanDerWaalsContact C-N 3.29Å; H142-E144 PolarHBondContact O-N 2.96Å; E144-K148 HydrophobicContact CG-CD 4.43Å; E144-K148 WeakPolarHBondContact O-CG 3.38Å; E144-K148 PolarHBondContact O-N 2.86Å; E144-K148 WeakPolarHBondContact OE1-CE 3.37Å; E144-K148 IonicContact OE1-NZ 2.83Å; E144-K148 PolarHBondContact OE1-NZ 3.21Å; E144-L180 HydrophobicContact CB-CD1 4.23Å; E144-L180 HydrophobicContact CB-CD2 3.87Å; E144-L180 HydrophobicContact CG-CD2 3.95Å |
| 145 | L | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 33.1 Ų | 33.1 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.4 | -178.9 | 61.3 | 0 | 0 | 0 | 111.5 | N95 R96 H142 K148 S149 | N95-L145 HydrophobicContact CB-CD2 4.32Å; N95-L145 WeakPolarHBondContact O-CD2 3.3Å; R96-L145 HydrophobicContact CG-CD1 3.79Å; R96-L145 HydrophobicContact CG-CD2 4.17Å; R96-L145 HydrophobicContact CG-CG 4.04Å; H142-L145 HydrophobicContact CB-CB 4.48Å; H142-L145 WeakPolarHBondContact O-CB 3.38Å; H142-L145 PolarHBondContact O-N 2.72Å; L145-K148 PolarHBondContact O-N 3.02Å; L145-S149 PolarHBondContact O-N 3.08Å; L145-S149 PolarHBondContact O-OG 2.77Å |
| 146 | D | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.1 | -38.5 | -179.8 | -66 | -8.8 | 0 | 0 | 0 | 111.1 | R90 I97 L126 S139 H142 K148 S149 V150 | R90-D146 IonicContact CZ-OD1 2.64Å; R90-D146 IonicContact CZ-OD2 3.49Å; R90-D146 IonicContact NH1-OD1 2.99Å; R90-D146 PolarHBondContact NH1-OD1 2.84Å; R90-D146 IonicContact NH1-OD2 2.75Å; R90-D146 IonicContact NH2-OD1 3.99Å; R90-D146 PolarHBondContact NH2-OD1 3.46Å; R90-D146 IonicContact NH2-OD2 3.86Å; R90-D146 PolarHBondContact NH2-OD2 3.03Å; I97-D146 HydrophobicContact CD1-CB 4.08Å; I97-D146 HydrophobicContact CG1-CB 4.45Å; L126-D146 HydrophobicContact CD1-CB 4.41Å; S139-D146 WeakPolarHBondContact CA-OD2 3.3Å; S139-D146 WeakPolarHBondContact CB-OD2 3.32Å; S139-D146 PolarHBondContact OG-OD2 2.76Å; H142-D146 PolarHBondContact O-N 3.16Å; D146-K148 VanDerWaalsContact C-N 3.35Å; D146-K148 PolarHBondContact O-N 3Å; D146-S149 WeakPolarHBondContact O-CB 3.31Å; D146-S149 PolarHBondContact O-N 2.97Å; D146-S149 VanDerWaalsContact O-N 3.17Å; D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 3.04Å |
| 147 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L143 S149 V150 A151 F177 L180 L181 T184 | L143-A147 VanDerWaalsContact O-CB 3.26Å; L143-A147 WeakPolarHBondContact O-CB 2.86Å; L143-A147 PolarHBondContact O-N 2.71Å; A147-S149 VanDerWaalsContact C-N 3.34Å; A147-S149 PolarHBondContact O-N 3.23Å; A147-V150 WeakPolarHBondContact O-CB 3.36Å; A147-V150 PolarHBondContact O-N 3.39Å; A147-A151 PolarHBondContact O-N 2.93Å; A147-A151 VanDerWaalsContact O-N 3.07Å; A147-F177 HydrophobicContact CB-CE2 3.98Å; A147-L180 HydrophobicContact CB-CB 3.9Å; A147-L181 HydrophobicContact CB-CD2 4.06Å; A147-L181 HydrophobicContact CB-CG 4.48Å; A147-T184 HydrophobicContact CB-CG2 4.35Å |
| 148 | K | 98.7 | Very high | 98.4 | Very high | 93 Ų | 93 | 31.5 Ų | 31.5 | 40% | 0.404 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 173 | -73.4 | 173.5 | -173.9 | 170.5 | 0 | 111.8 | E144 L145 D146 A151 E152 | E144-K148 HydrophobicContact CG-CD 4.43Å; E144-K148 WeakPolarHBondContact O-CG 3.38Å; E144-K148 PolarHBondContact O-N 2.86Å; E144-K148 WeakPolarHBondContact OE1-CE 3.37Å; E144-K148 IonicContact OE1-NZ 2.83Å; E144-K148 PolarHBondContact OE1-NZ 3.21Å; L145-K148 PolarHBondContact O-N 3.02Å; D146-K148 VanDerWaalsContact C-N 3.35Å; D146-K148 PolarHBondContact O-N 3Å; K148-A151 PolarHBondContact O-N 2.7Å; K148-E152 WeakPolarHBondContact O-CB 3.24Å; K148-E152 VanDerWaalsContact O-CG 3.26Å; K148-E152 WeakPolarHBondContact O-CG 3.41Å; K148-E152 PolarHBondContact O-N 2.7Å |
| 149 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 178 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | L145 D146 A147 A151 E152 W153 | L145-S149 PolarHBondContact O-N 3.08Å; L145-S149 PolarHBondContact O-OG 2.77Å; D146-S149 WeakPolarHBondContact O-CB 3.31Å; D146-S149 PolarHBondContact O-N 2.97Å; D146-S149 VanDerWaalsContact O-N 3.17Å; A147-S149 VanDerWaalsContact C-N 3.34Å; A147-S149 PolarHBondContact O-N 3.23Å; S149-A151 VanDerWaalsContact C-N 3.33Å; S149-A151 PolarHBondContact O-N 3.42Å; S149-E152 PolarHBondContact O-N 3.33Å; S149-W153 WeakPolarHBondContact O-CB 3.31Å; S149-W153 PolarHBondContact O-N 3.49Å |
| 150 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.9 | -49.1 | 172.9 | 167 | 0 | 0 | 0 | 0 | 110.9 | I124 L126 D146 A147 G154 V155 V158 L181 V188 | I124-V150 HydrophobicContact CD1-CG2 3.87Å; L126-V150 HydrophobicContact CD1-CG2 3.98Å; D146-V150 WeakPolarHBondContact O-CG2 3.47Å; D146-V150 PolarHBondContact O-N 3.04Å; A147-V150 WeakPolarHBondContact O-CB 3.36Å; A147-V150 PolarHBondContact O-N 3.39Å; V150-G154 PolarHBondContact O-N 3.48Å; V150-V155 HydrophobicContact CG1-CB 3.8Å; V150-V155 HydrophobicContact CG1-CG1 3.96Å; V150-V155 PolarHBondContact O-N 3.25Å; V150-V158 HydrophobicContact CG1-CG2 3.72Å; V150-V158 HydrophobicContact CG2-CG2 3.94Å; V150-L181 HydrophobicContact CB-CD2 4.2Å; V150-L181 HydrophobicContact CG1-CD2 3.82Å; V150-V188 HydrophobicContact CG1-CG1 4.26Å; V150-V188 HydrophobicContact CG1-CG2 4.11Å |
| 151 | A | 98.7 | Very high | 98.4 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 19% | 0.19 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -45.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | A147 K148 S149 W153 G154 T184 R186 | A147-A151 PolarHBondContact O-N 2.93Å; A147-A151 VanDerWaalsContact O-N 3.07Å; K148-A151 PolarHBondContact O-N 2.7Å; S149-A151 VanDerWaalsContact C-N 3.33Å; S149-A151 PolarHBondContact O-N 3.42Å; A151-W153 VanDerWaalsContact C-N 3.29Å; A151-W153 PolarHBondContact O-N 3.27Å; A151-G154 PolarHBondContact O-N 3.48Å; A151-T184 VanDerWaalsContact CB-CB 3.46Å; A151-T184 HydrophobicContact CB-CG2 3.77Å; A151-T184 WeakPolarHBondContact CB-OG1 3.48Å; A151-R186 HydrophobicContact CB-CB 4.04Å |
| 152 | E | 98.5 | Very high | 98.4 | Very high | 93 Ų | 93 | 24 Ų | 24 | 44% | 0.435 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.1 | -31.9 | 179.3 | -74.7 | 175.6 | -160.3 | 0 | 0 | 113.1 | R96 K148 S149 G154 | R96-E152 IonicContact CZ-OE1 3.75Å; R96-E152 IonicContact CZ-OE2 3.79Å; R96-E152 IonicContact NH1-OE1 3.58Å; R96-E152 IonicContact NH1-OE2 3.94Å; R96-E152 PolarHBondContact NH1-OE2 3.33Å; R96-E152 VanDerWaalsContact NH2-CD 3.31Å; R96-E152 IonicContact NH2-OE1 3.15Å; R96-E152 PolarHBondContact NH2-OE1 2.82Å; R96-E152 IonicContact NH2-OE2 2.68Å; R96-E152 PolarHBondContact NH2-OE2 3.07Å; K148-E152 WeakPolarHBondContact O-CB 3.24Å; K148-E152 VanDerWaalsContact O-CG 3.26Å; K148-E152 WeakPolarHBondContact O-CG 3.41Å; K148-E152 PolarHBondContact O-N 2.7Å; S149-E152 PolarHBondContact O-N 3.33Å; E152-G154 VanDerWaalsContact C-N 3.27Å |
| 153 | W | 98.8 | Very high | 98.2 | Very high | 37 Ų | 37 | 22.8 Ų | 22.8 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -7.5 | 174.2 | -62.8 | -22.7 | 0 | 0 | 0 | 113.6 | W85 I97 I108 K109 T112 I124 S149 A151 V155 | W85-W153 HydrophobicContact CH2-CH2 4.06Å; W85-W153 AromaticContact CH2-CZ3 3.76Å; W85-W153 HydrophobicContact CH2-CZ3 3.76Å; W85-W153 HydrophobicContact CZ3-CZ3 4.43Å; I97-W153 HydrophobicContact CB-CH2 4.5Å; I97-W153 HydrophobicContact CD1-CH2 3.99Å; I97-W153 HydrophobicContact CD1-CZ3 3.95Å; I97-W153 HydrophobicContact CG1-CH2 3.77Å; I97-W153 HydrophobicContact CG1-CZ3 4.25Å; I97-W153 VanDerWaalsContact O-CH2 3.29Å; I97-W153 WeakPolarHBondContact O-CH2 3.44Å; I97-W153 WeakPolarHBondContact O-CZ2 3.48Å; I108-W153 HydrophobicContact CB-CD2 3.94Å; I108-W153 HydrophobicContact CB-CE3 3.97Å; I108-W153 HydrophobicContact CB-CG 4.22Å; I108-W153 HydrophobicContact CB-CZ3 4.48Å; I108-W153 HydrophobicContact CG1-CE3 4.39Å; I108-W153 HydrophobicContact CG1-CZ3 4.42Å; I108-W153 HydrophobicContact CG2-CB 4.03Å; I108-W153 HydrophobicContact CG2-CD2 4.04Å; I108-W153 HydrophobicContact CG2-CE3 3.78Å; I108-W153 HydrophobicContact CG2-CG 4.19Å; K109-W153 HydrophobicContact CB-CB 4.35Å; K109-W153 HydrophobicContact CB-CG 4.41Å; T112-W153 WeakPolarHBondContact CB-O 3.43Å; T112-W153 WeakPolarHBondContact CG2-O 3.4Å; T112-W153 PolarHBondContact OG1-O 2.98Å; I124-W153 HydrophobicContact CD1-CE3 4.39Å; I124-W153 HydrophobicContact CD1-CZ3 4.18Å; S149-W153 WeakPolarHBondContact O-CB 3.31Å; S149-W153 PolarHBondContact O-N 3.49Å; A151-W153 VanDerWaalsContact C-N 3.29Å; A151-W153 PolarHBondContact O-N 3.27Å; W153-V155 HydrophobicContact CB-CG2 4.15Å; W153-V155 HydrophobicContact CE3-CG2 4.49Å |
| 154 | G | 98.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 27.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T112 H116 V150 A151 E152 R186 | T112-G154 VanDerWaalsContact CG2-C 3.49Å; T112-G154 WeakPolarHBondContact CG2-O 3.24Å; H116-G154 PolarHBondContact CE1-O 2.93Å; V150-G154 PolarHBondContact O-N 3.48Å; A151-G154 PolarHBondContact O-N 3.48Å; E152-G154 VanDerWaalsContact C-N 3.27Å; G154-R186 VanDerWaalsContact C-NH2 3.27Å; G154-R186 VanDerWaalsContact CA-CZ 3.4Å; G154-R186 VanDerWaalsContact CA-NE 3.35Å; G154-R186 PolarHBondContact O-NE 3.06Å; G154-R186 PolarHBondContact O-NH2 2.78Å |
| 155 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -69.3 | 139.4 | 177.6 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | I108 L122 I124 V150 W153 Y157 V158 R186 | I108-V155 HydrophobicContact CG2-CG2 4.05Å; L122-V155 HydrophobicContact CD2-CG2 3.99Å; I124-V155 HydrophobicContact CD1-CG1 4.42Å; I124-V155 HydrophobicContact CD1-CG2 4.18Å; I124-V155 HydrophobicContact CG1-CG1 4.05Å; I124-V155 HydrophobicContact CG2-CG1 4.26Å; I124-V155 HydrophobicContact CG2-CG2 3.96Å; V150-V155 HydrophobicContact CG1-CB 3.8Å; V150-V155 HydrophobicContact CG1-CG1 3.96Å; V150-V155 PolarHBondContact O-N 3.25Å; W153-V155 HydrophobicContact CB-CG2 4.15Å; W153-V155 HydrophobicContact CE3-CG2 4.49Å; V155-Y157 WeakPolarHBondContact CG1-O 3.45Å; V155-V158 HydrophobicContact CG1-CG2 4.33Å; V155-R186 WeakPolarHBondContact O-CD 2.92Å; V155-R186 PolarHBondContact O-NE 2.85Å | ||
| 156 | D | 98.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 10% | 0.096 | 13% | 0.13 | C | C | . | . | trans | -102.5 | -15.9 | -174.6 | -54.2 | -70.7 | 0 | 0 | 0 | 113.5 | Y78 H116 L121 L122 R186 V188 T189 | Y78-D156 HydrophobicContact CE1-CB 4.35Å; H116-D156 IonicContact CD2-OD2 3.19Å; H116-D156 IonicContact CE1-OD1 3.29Å; H116-D156 IonicContact CE1-OD2 3.16Å; H116-D156 IonicContact NE2-OD1 2.66Å; H116-D156 PolarHBondContact NE2-OD1 3.16Å; H116-D156 IonicContact NE2-OD2 3.63Å; H116-D156 PolarHBondContact NE2-OD2 3.07Å; L121-D156 WeakPolarHBondContact CA-OD2 3.45Å; L121-D156 HydrophobicContact CB-CB 3.89Å; L121-D156 HydrophobicContact CD2-CB 4.21Å; L121-D156 HydrophobicContact CG-CB 4.5Å; L122-D156 PolarHBondContact N-OD2 2.84Å; L122-D156 WeakPolarHBondContact O-CA 2.85Å; L122-D156 PolarHBondContact O-N 2.58Å; D156-R186 IonicContact OD1-CZ 2.64Å; D156-R186 IonicContact OD1-NH2 2.87Å; D156-R186 PolarHBondContact OD1-NH2 3.11Å; D156-R186 IonicContact OD2-NH2 3.67Å; D156-V188 WeakPolarHBondContact O-CA 3.02Å; D156-T189 PolarHBondContact O-N 2.03Å | ||
| 157 | Y | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 137 | -175.1 | -176.6 | -70.8 | 0 | 0 | 0 | 111.1 | Y78 I80 L122 G123 I124 V155 K159 T189 L191 L218 | Y78-Y157 HydrophobicContact CD1-CD2 4.1Å; Y78-Y157 HydrophobicContact CD1-CG 4.32Å; Y78-Y157 HydrophobicContact CE1-CD2 4.04Å; Y78-Y157 HydrophobicContact CE1-CG 4.42Å; I80-Y157 HydrophobicContact CD1-CD1 4.08Å; I80-Y157 HydrophobicContact CD1-CE1 3.88Å; I80-Y157 HydrophobicContact CD1-CE2 4.35Å; I80-Y157 HydrophobicContact CD1-CG 4.43Å; I80-Y157 HydrophobicContact CG1-CD1 4.39Å; L122-Y157 PolarHBondContact O-N 3.33Å; L122-Y157 VanDerWaalsContact O-N 3.14Å; G123-Y157 CarbonylContact C-O 3.56Å; G123-Y157 WeakPolarHBondContact CA-O 3.29Å; I124-Y157 PolarHBondContact N-O 3.37Å; V155-Y157 WeakPolarHBondContact CG1-O 3.45Å; Y157-K159 HydrophobicContact CE1-CB 4.08Å; Y157-T189 CarbonylContact C-O 3.54Å; Y157-T189 VanDerWaalsContact CA-O 3.29Å; Y157-T189 WeakPolarHBondContact CA-O 3.26Å; Y157-T189 HydrophobicContact CD2-CG2 3.52Å; Y157-T189 HydrophobicContact CE2-CG2 3.65Å; Y157-L191 HydrophobicContact CE1-CB 4.01Å; Y157-L191 WeakPolarHBondContact OH-CB 3.45Å; Y157-L191 WeakPolarHBondContact OH-CD2 3.23Å; Y157-L218 HydrophobicContact CE2-CD1 3.69Å; Y157-L218 VanDerWaalsContact OH-CD1 3.27Å; Y157-L218 WeakPolarHBondContact OH-CD1 3.28Å |
| 158 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.8 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | I124 L126 V150 V155 M160 F177 L181 V188 T189 L190 L191 | I124-V158 HydrophobicContact CG1-CG2 4.38Å; I124-V158 WeakPolarHBondContact O-CA 3.38Å; L126-V158 HydrophobicContact CB-CG1 4.44Å; L126-V158 HydrophobicContact CD1-CG1 4.15Å; L126-V158 HydrophobicContact CG-CG1 4.24Å; V150-V158 HydrophobicContact CG1-CG2 3.72Å; V150-V158 HydrophobicContact CG2-CG2 3.94Å; V155-V158 HydrophobicContact CG1-CG2 4.33Å; V158-M160 HydrophobicContact CG1-CE 4.41Å; V158-F177 HydrophobicContact CB-CE1 4.38Å; V158-F177 HydrophobicContact CG1-CE1 3.8Å; V158-F177 HydrophobicContact CG1-CZ 4.24Å; V158-L181 HydrophobicContact CG2-CD1 4.49Å; V158-V188 HydrophobicContact CB-CG1 4.28Å; V158-V188 HydrophobicContact CG2-CG1 3.77Å; V158-T189 PolarHBondContact N-O 3.41Å; V158-L190 HydrophobicContact CB-CD1 4.2Å; V158-L190 HydrophobicContact CG1-CD1 4.21Å; V158-L191 PolarHBondContact O-N 3.25Å |
| 159 | K | 98.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.7 | 162.3 | 176.3 | 174.4 | 174.9 | -167.1 | 0 | 108.4 | D82 I124 T125 L126 Y157 H161 L191 T193 | D82-K159 IonicContact OD1-NZ 3.96Å; D82-K159 PolarHBondContact OD1-NZ 3.1Å; D82-K159 IonicContact OD2-NZ 2.86Å; D82-K159 PolarHBondContact OD2-NZ 2.85Å; I124-K159 PolarHBondContact O-N 3.03Å; T125-K159 CarbonylContact C-O 3.51Å; T125-K159 VanDerWaalsContact CA-O 3.26Å; T125-K159 WeakPolarHBondContact CA-O 3.35Å; T125-K159 HydrophobicContact CG2-CB 4.39Å; T125-K159 HydrophobicContact CG2-CD 4.37Å; T125-K159 HydrophobicContact CG2-CG 4.22Å; L126-K159 PolarHBondContact N-O 3.33Å; Y157-K159 HydrophobicContact CE1-CB 4.08Å; K159-H161 WeakPolarHBondContact CE-CE1 3.3Å; K159-L191 HydrophobicContact CB-CD2 4.18Å; K159-L191 HydrophobicContact CD-CD2 4.03Å; K159-L191 HydrophobicContact CG-CD2 3.77Å; K159-L191 HydrophobicContact CG-CG 4.33Å; K159-T193 HydrophobicContact CG-CG2 3.97Å |
| 160 | M | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.1 | -179.9 | -175 | 62.7 | 75.4 | 0 | 0 | 110.8 | L126 Y128 V158 F174 F177 L190 L191 T193 | L126-M160 HydrophobicContact CB-CE 3.76Å; L126-M160 HydrophobicContact CB-SD 3.8Å; L126-M160 HydrophobicContact CD1-CE 4.12Å; Y128-M160 PolarHBondContact N-SD 2.88Å; V158-M160 HydrophobicContact CG1-CE 4.41Å; M160-F174 HydrophobicContact CB-CD1 4.04Å; M160-F174 HydrophobicContact CB-CE1 3.52Å; M160-F174 HydrophobicContact CB-CZ 4.14Å; M160-F174 HydrophobicContact CG-CD1 3.91Å; M160-F174 HydrophobicContact CG-CE1 3.43Å; M160-F174 VanDerWaalsContact CG-CE1 3.43Å; M160-F174 HydrophobicContact CG-CE2 4.21Å; M160-F174 HydrophobicContact CG-CZ 3.62Å; M160-F174 WeakPolarHBondContact O-CE1 3.28Å; M160-F174 WeakPolarHBondContact O-CZ 3.39Å; M160-F177 HydrophobicContact CE-CD1 3.31Å; M160-F177 HydrophobicContact CE-CD2 3.86Å; M160-F177 HydrophobicContact CE-CE1 3.17Å; M160-F177 HydrophobicContact CE-CE2 3.75Å; M160-F177 HydrophobicContact CE-CG 3.64Å; M160-F177 HydrophobicContact CE-CZ 3.42Å; M160-F177 VanDerWaalsContact CE-CZ 3.42Å; M160-L190 HydrophobicContact CB-CD1 4.15Å; M160-L191 PolarHBondContact N-O 2.91Å; M160-T193 WeakPolarHBondContact O-CB 3.4Å; M160-T193 WeakPolarHBondContact O-CG2 3.42Å; M160-T193 PolarHBondContact O-N 2.81Å; M160-T193 PolarHBondContact O-OG1 3.12Å |
| 161 | H | 96.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 143.9 | 176.6 | -81.8 | -42.8 | 0 | 0 | 0 | 113.3 | D82 T125 L126 Y128 K159 T193 Y197 | D82-H161 IonicContact OD1-NE2 2.9Å; T125-H161 WeakPolarHBondContact CG2-CD2 3.41Å; L126-H161 WeakPolarHBondContact O-CB 3.29Å; L126-H161 PolarHBondContact O-N 3.28Å; Y128-H161 VanDerWaalsContact CB-O 3.3Å; Y128-H161 WeakPolarHBondContact CB-O 3.49Å; Y128-H161 PolarHBondContact N-O 3.46Å; K159-H161 WeakPolarHBondContact CE-CE1 3.3Å; H161-T193 VanDerWaalsContact CA-OG1 3.23Å; H161-T193 WeakPolarHBondContact CA-OG1 3.4Å; H161-T193 PolarHBondContact ND1-OG1 2.81Å; H161-Y197 PolarHBondContact ND1-OH 3.14Å |
| 162 | A | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | trans | -103.1 | 17.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C165 E170 F174 Y197 | A162-C165 PolarHBondContact O-SG 2.78Å; A162-E170 HydrophobicContact CB-CG 4.07Å; A162-F174 HydrophobicContact CB-CE2 3.99Å; A162-F174 HydrophobicContact CB-CZ 3.9Å; A162-Y197 HydrophobicContact CB-CD2 3.71Å; A162-Y197 HydrophobicContact CB-CE2 4.06Å; A162-Y197 HydrophobicContact CB-CG 4.46Å | ||
| 163 | C | 94.5 | Very high | 96 | Very high | 21 Ų | 21 | 34 Ų | 34 | 14% | 0.142 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 154 | 176.9 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | G129 C133 C165 Y197 | G129-C163 WeakPolarHBondContact CA-O 3.08Å; C133-C163 VanDerWaalsContact CA-SG 3.51Å; C133-C163 HydrophobicContact CB-CB 3.82Å; C133-C163 WeakPolarHBondContact CB-SG 3.41Å; C133-C163 WeakPolarHBondContact SG-CB 3.27Å; C133-C163 CovalentContact SG-SG 2.03Å; C133-C163 PolarHBondContact SG-SG 3.42Å; C163-C165 VanDerWaalsContact C-N 3.27Å; C163-C165 PolarHBondContact O-N 2.65Å; C163-Y197 WeakPolarHBondContact SG-CE1 3.46Å |
| 164 | H | 95 | Very high | 95.9 | Very high | 99 Ų | 99 | 32.3 Ų | 32.3 | 46% | 0.458 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 36.9 | 174.6 | -53.2 | -82.7 | 0 | 0 | 0 | 114.7 | G129 N130 M131 T132 | G129-H164 WeakPolarHBondContact CA-O 3.33Å; N130-H164 PolarHBondContact N-O 3.17Å; M131-H164 HydrophobicContact CB-CB 4.23Å; M131-H164 PolarHBondContact O-CD2 3.41Å; T132-H164 PolarHBondContact O-CD2 2.89Å; T132-H164 PolarHBondContact O-NE2 3.11Å |
| 165 | C | 92.4 | Very high | 95.9 | Very high | 31 Ų | 31 | 33.3 Ų | 33.3 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -133.6 | 168.5 | 169.2 | 70 | 0 | 0 | 0 | 0 | 110.2 | Y128 A162 C163 E170 | Y128-C165 HydrophobicContact CD1-CB 3.83Å; Y128-C165 VanDerWaalsContact CD1-SG 3.51Å; Y128-C165 HydrophobicContact CE1-CB 3.76Å; A162-C165 PolarHBondContact O-SG 2.78Å; C163-C165 VanDerWaalsContact C-N 3.27Å; C163-C165 PolarHBondContact O-N 2.65Å; C165-E170 VanDerWaalsContact SG-CG 3.52Å |
| 166 | A | 92.5 | Very high | 95.9 | Very high | 51 Ų | 51 | 39 Ų | 39 | 42% | 0.421 | 21% | 0.209 | S | C | . | . | trans | -81.8 | 131.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | N168 T169 | A166-N168 VanDerWaalsContact CB-OD1 3.26Å; A166-N168 WeakPolarHBondContact CB-OD1 3.42Å; A166-N168 PolarHBondContact O-N 3.24Å; A166-N168 VanDerWaalsContact O-N 3.11Å; A166-T169 HydrophobicContact CB-CG2 4.24Å; A166-T169 PolarHBondContact O-N 3.1Å; A166-T169 PolarHBondContact O-OG1 3.24Å | ||
| 167 | Q | 89 | Confident | 95.8 | Very high | 111 Ų | 111 | 38.1 Ų | 38.1 | 52% | 0.519 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -55.7 | -35.1 | -174 | -74.7 | 179.2 | -14.8 | 0 | 0 | 113.3 | T169 E170 Y197 | Q167-T169 PolarHBondContact O-N 3.43Å; Q167-E170 WeakPolarHBondContact O-CG 3.46Å; Q167-E170 PolarHBondContact O-N 2.79Å; Q167-Y197 PolarHBondContact NE2-O 3.41Å |
| 168 | N | 90.7 | Very high | 95.8 | Very high | 132 Ų | 132 | 38.3 Ų | 38.3 | 71% | 0.706 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -68.7 | -12.4 | 178.9 | 68.2 | -47.4 | 0 | 0 | 0 | 114.2 | A166 | A166-N168 VanDerWaalsContact CB-OD1 3.26Å; A166-N168 WeakPolarHBondContact CB-OD1 3.42Å; A166-N168 PolarHBondContact O-N 3.24Å; A166-N168 VanDerWaalsContact O-N 3.11Å |
| 169 | T | 94.2 | Very high | 95.8 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.264 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -99 | -8.9 | 177.1 | 76.1 | 0 | 0 | 0 | 0 | 112.9 | Y128 A166 Q167 G173 | Y128-T169 PolarHBondContact OH-O 3.31Å; Y128-T169 VanDerWaalsContact OH-O 3.13Å; Y128-T169 PolarHBondContact OH-OG1 2.63Å; Y128-T169 VanDerWaalsContact OH-OG1 3.13Å; A166-T169 HydrophobicContact CB-CG2 4.24Å; A166-T169 PolarHBondContact O-N 3.1Å; A166-T169 PolarHBondContact O-OG1 3.24Å; Q167-T169 PolarHBondContact O-N 3.43Å; T169-G173 PolarHBondContact O-N 3.3Å |
| 170 | E | 95 | Very high | 95.8 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -51.2 | -175.6 | -60.6 | 165.3 | 168.3 | 0 | 0 | 112.2 | A162 C165 Q167 D172 G173 F174 Y194 | A162-E170 HydrophobicContact CB-CG 4.07Å; C165-E170 VanDerWaalsContact SG-CG 3.52Å; Q167-E170 WeakPolarHBondContact O-CG 3.46Å; Q167-E170 PolarHBondContact O-N 2.79Å; E170-D172 PolarHBondContact O-N 3Å; E170-G173 PolarHBondContact O-N 3.04Å; E170-F174 HydrophobicContact CB-CD2 4.44Å; E170-F174 HydrophobicContact CB-CE2 4.39Å; E170-F174 WeakPolarHBondContact O-CD2 3.35Å; E170-F174 PolarHBondContact O-N 2.98Å; E170-Y194 HydrophobicContact CB-CD2 4.3Å; E170-Y194 HydrophobicContact CB-CG 4Å; E170-Y194 WeakPolarHBondContact OE2-CB 3.25Å |
| 171 | P | 95.7 | Very high | 95.8 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | -176.7 | -25.4 | 38.5 | 0 | 0 | 0 | 112.9 | E175 Y194 | P171-E175 WeakPolarHBondContact O-CB 3.48Å; P171-E175 PolarHBondContact O-N 3.06Å; P171-Y194 HydrophobicContact CG-CE2 4.22Å |
| 172 | D | 96.8 | Very high | 95.8 | Very high | 96 Ų | 96 | 49 Ų | 49 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 176.5 | -67.2 | -11.7 | 0 | 0 | 0 | 112 | E170 K176 R211 | E170-D172 PolarHBondContact O-N 3Å; D172-K176 VanDerWaalsContact O-CB 3.25Å; D172-K176 WeakPolarHBondContact O-CB 3.28Å; D172-K176 PolarHBondContact O-N 3.01Å; D172-R211 VanDerWaalsContact CA-NH2 3.32Å; D172-R211 IonicContact OD1-CZ 2.75Å; D172-R211 IonicContact OD1-NH1 3.86Å; D172-R211 PolarHBondContact OD1-NH1 3.4Å; D172-R211 IonicContact OD1-NH2 2.98Å; D172-R211 PolarHBondContact OD1-NH2 3.44Å |
| 173 | G | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T169 E170 K176 F177 | T169-G173 PolarHBondContact O-N 3.3Å; E170-G173 PolarHBondContact O-N 3.04Å; G173-K176 PolarHBondContact O-N 3.17Å; G173-F177 WeakPolarHBondContact O-CB 3.32Å; G173-F177 PolarHBondContact O-N 3.04Å |
| 174 | F | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71 | -40.2 | -179.6 | -80.2 | -113.9 | 0 | 0 | 0 | 111.6 | Y128 M160 A162 E170 F177 S178 C192 Y194 | Y128-F174 HydrophobicContact CD1-CD2 4.28Å; Y128-F174 AromaticContact CD1-CE2 3.94Å; Y128-F174 HydrophobicContact CD1-CE2 3.94Å; Y128-F174 HydrophobicContact CG-CD2 4.11Å; Y128-F174 AromaticContact CG-CE2 3.85Å; Y128-F174 HydrophobicContact CG-CE2 3.85Å; M160-F174 HydrophobicContact CB-CD1 4.04Å; M160-F174 HydrophobicContact CB-CE1 3.52Å; M160-F174 HydrophobicContact CB-CZ 4.14Å; M160-F174 HydrophobicContact CG-CD1 3.91Å; M160-F174 HydrophobicContact CG-CE1 3.43Å; M160-F174 VanDerWaalsContact CG-CE1 3.43Å; M160-F174 HydrophobicContact CG-CE2 4.21Å; M160-F174 HydrophobicContact CG-CZ 3.62Å; M160-F174 WeakPolarHBondContact O-CE1 3.28Å; M160-F174 WeakPolarHBondContact O-CZ 3.39Å; A162-F174 HydrophobicContact CB-CE2 3.99Å; A162-F174 HydrophobicContact CB-CZ 3.9Å; E170-F174 HydrophobicContact CB-CD2 4.44Å; E170-F174 HydrophobicContact CB-CE2 4.39Å; E170-F174 WeakPolarHBondContact O-CD2 3.35Å; E170-F174 PolarHBondContact O-N 2.98Å; F174-F177 PolarHBondContact O-N 3.26Å; F174-S178 WeakPolarHBondContact O-CB 3.28Å; F174-S178 PolarHBondContact O-N 3.1Å; F174-C192 HydrophobicContact CD1-CB 3.72Å; F174-C192 VanDerWaalsContact CD1-SG 3.55Å; F174-C192 HydrophobicContact CE1-CB 4.04Å; F174-Y194 HydrophobicContact CB-CD1 4.33Å; F174-Y194 HydrophobicContact CB-CE1 4.32Å; F174-Y194 AromaticContact CD1-CD1 3.89Å; F174-Y194 HydrophobicContact CD1-CD1 3.89Å; F174-Y194 HydrophobicContact CD1-CE1 4.48Å; F174-Y194 HydrophobicContact CD2-CD1 4.01Å; F174-Y194 HydrophobicContact CE1-CD1 4.09Å; F174-Y194 HydrophobicContact CE2-CD1 4.2Å; F174-Y194 AromaticContact CG-CD1 3.81Å; F174-Y194 HydrophobicContact CG-CD1 3.81Å; F174-Y194 HydrophobicContact CG-CE1 4.29Å; F174-Y194 HydrophobicContact CZ-CD1 4.23Å |
| 175 | E | 97.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 171.8 | 166.9 | 161.4 | -169.3 | 0 | 0 | 111.8 | P171 F177 S178 R179 R211 N215 | P171-E175 WeakPolarHBondContact O-CB 3.48Å; P171-E175 PolarHBondContact O-N 3.06Å; E175-F177 VanDerWaalsContact C-N 3.28Å; E175-F177 PolarHBondContact O-N 3.06Å; E175-S178 WeakPolarHBondContact O-CB 3.44Å; E175-S178 PolarHBondContact O-N 3.32Å; E175-R179 WeakPolarHBondContact O-CG 3.46Å; E175-R179 PolarHBondContact O-N 3.31Å; E175-R179 IonicContact OE1-CZ 3.21Å; E175-R179 VanDerWaalsContact OE1-CZ 3.29Å; E175-R179 IonicContact OE1-NE 2.98Å; E175-R179 PolarHBondContact OE1-NE 3.45Å; E175-R179 IonicContact OE1-NH2 2.64Å; E175-R179 PolarHBondContact OE1-NH2 2.84Å; E175-R211 IonicContact OE2-CZ 3.91Å; E175-R211 IonicContact OE2-NE 3.69Å; E175-R211 PolarHBondContact OE2-NE 3.39Å; E175-R211 IonicContact OE2-NH2 2.64Å; E175-R211 PolarHBondContact OE2-NH2 3.28Å; E175-N215 HydrophobicContact CB-CB 4.44Å; E175-N215 VanDerWaalsContact CG-OD1 3.26Å; E175-N215 WeakPolarHBondContact CG-OD1 3.43Å |
| 176 | K | 98.2 | Very high | 96.3 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 52% | 0.522 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 174.8 | 179.6 | 175.8 | 176.3 | -178 | 0 | 111.1 | L143 D172 G173 R179 L180 | L143-K176 HydrophobicContact CD1-CB 4.47Å; L143-K176 HydrophobicContact CD1-CD 3.89Å; L143-K176 HydrophobicContact CD1-CG 4.14Å; D172-K176 VanDerWaalsContact O-CB 3.25Å; D172-K176 WeakPolarHBondContact O-CB 3.28Å; D172-K176 PolarHBondContact O-N 3.01Å; G173-K176 PolarHBondContact O-N 3.17Å; K176-R179 PolarHBondContact O-N 3.38Å; K176-L180 HydrophobicContact CG-CD1 3.95Å; K176-L180 VanDerWaalsContact O-CG 3.24Å; K176-L180 WeakPolarHBondContact O-CG 3.39Å; K176-L180 PolarHBondContact O-N 3.26Å |
| 177 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 178.3 | -172.2 | -110.1 | 0 | 0 | 0 | 112.7 | L126 L143 A147 V158 M160 G173 F174 E175 R179 L180 L181 L190 | L126-F177 HydrophobicContact CD1-CE2 4.4Å; L126-F177 HydrophobicContact CD1-CZ 3.83Å; L143-F177 HydrophobicContact CB-CD2 4.29Å; L143-F177 HydrophobicContact CD2-CB 4.3Å; L143-F177 HydrophobicContact CD2-CD2 3.88Å; L143-F177 HydrophobicContact CD2-CG 4.39Å; A147-F177 HydrophobicContact CB-CE2 3.98Å; V158-F177 HydrophobicContact CB-CE1 4.38Å; V158-F177 HydrophobicContact CG1-CE1 3.8Å; V158-F177 HydrophobicContact CG1-CZ 4.24Å; M160-F177 HydrophobicContact CE-CD1 3.31Å; M160-F177 HydrophobicContact CE-CD2 3.86Å; M160-F177 HydrophobicContact CE-CE1 3.17Å; M160-F177 HydrophobicContact CE-CE2 3.75Å; M160-F177 HydrophobicContact CE-CG 3.64Å; M160-F177 HydrophobicContact CE-CZ 3.42Å; M160-F177 VanDerWaalsContact CE-CZ 3.42Å; G173-F177 WeakPolarHBondContact O-CB 3.32Å; G173-F177 PolarHBondContact O-N 3.04Å; F174-F177 PolarHBondContact O-N 3.26Å; E175-F177 VanDerWaalsContact C-N 3.28Å; E175-F177 PolarHBondContact O-N 3.06Å; F177-R179 PolarHBondContact O-N 2.76Å; F177-L180 PolarHBondContact O-N 2.94Å; F177-L181 HydrophobicContact CD1-CD1 3.8Å; F177-L181 HydrophobicContact CD1-CG 4.12Å; F177-L181 HydrophobicContact CE1-CD1 3.32Å; F177-L181 HydrophobicContact CE1-CD2 4.17Å; F177-L181 HydrophobicContact CE1-CG 3.68Å; F177-L181 HydrophobicContact CE2-CD2 4.46Å; F177-L181 HydrophobicContact CE2-CG 4.33Å; F177-L181 HydrophobicContact CZ-CD1 3.9Å; F177-L181 HydrophobicContact CZ-CD2 3.86Å; F177-L181 HydrophobicContact CZ-CG 3.8Å; F177-L181 PolarHBondContact O-N 2.86Å; F177-L190 HydrophobicContact CD1-CD1 4.01Å; F177-L190 HydrophobicContact CD1-CD2 4.42Å; F177-L190 HydrophobicContact CE1-CD1 4.05Å |
| 178 | S | 98.2 | Very high | 97 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | F174 E175 L180 L181 N182 N215 | F174-S178 WeakPolarHBondContact O-CB 3.28Å; F174-S178 PolarHBondContact O-N 3.1Å; E175-S178 WeakPolarHBondContact O-CB 3.44Å; E175-S178 PolarHBondContact O-N 3.32Å; S178-L180 PolarHBondContact O-N 2.92Å; S178-L181 PolarHBondContact O-N 3.38Å; S178-N182 PolarHBondContact O-N 2.62Å; S178-N215 WeakPolarHBondContact CB-O 3.08Å; S178-N215 PolarHBondContact OG-O 3.15Å |
| 179 | R | 98.2 | Very high | 97.4 | Very high | 136 Ų | 136 | 43.2 Ų | 43.2 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175 | -66.5 | 174.6 | -175.8 | -169 | -1.2 | 112.5 | V19 E175 K176 F177 G183 | V19-R179 HydrophobicContact CG1-CG 4.28Å; E175-R179 WeakPolarHBondContact O-CG 3.46Å; E175-R179 PolarHBondContact O-N 3.31Å; E175-R179 IonicContact OE1-CZ 3.21Å; E175-R179 VanDerWaalsContact OE1-CZ 3.29Å; E175-R179 IonicContact OE1-NE 2.98Å; E175-R179 PolarHBondContact OE1-NE 3.45Å; E175-R179 IonicContact OE1-NH2 2.64Å; E175-R179 PolarHBondContact OE1-NH2 2.84Å; K176-R179 PolarHBondContact O-N 3.38Å; F177-R179 PolarHBondContact O-N 2.76Å; R179-G183 PolarHBondContact O-N 3.2Å |
| 180 | L | 98.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 178.1 | -72.3 | 166.5 | 0 | 0 | 0 | 112.1 | L143 E144 A147 K176 F177 S178 G183 T184 | L143-L180 HydrophobicContact CB-CD1 3.58Å; E144-L180 HydrophobicContact CB-CD1 4.23Å; E144-L180 HydrophobicContact CB-CD2 3.87Å; E144-L180 HydrophobicContact CG-CD2 3.95Å; A147-L180 HydrophobicContact CB-CB 3.9Å; K176-L180 HydrophobicContact CG-CD1 3.95Å; K176-L180 VanDerWaalsContact O-CG 3.24Å; K176-L180 WeakPolarHBondContact O-CG 3.39Å; K176-L180 PolarHBondContact O-N 3.26Å; F177-L180 PolarHBondContact O-N 2.94Å; S178-L180 PolarHBondContact O-N 2.92Å; L180-G183 PolarHBondContact O-N 3.03Å; L180-T184 VanDerWaalsContact O-CG2 3.31Å; L180-T184 WeakPolarHBondContact O-CG2 3.33Å; L180-T184 PolarHBondContact O-N 3.08Å |
| 181 | L | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -51.2 | 173.2 | -78.8 | -179.8 | 0 | 0 | 0 | 111.1 | A147 V150 V158 F177 S178 G183 T184 V188 L190 | A147-L181 HydrophobicContact CB-CD2 4.06Å; A147-L181 HydrophobicContact CB-CG 4.48Å; V150-L181 HydrophobicContact CB-CD2 4.2Å; V150-L181 HydrophobicContact CG1-CD2 3.82Å; V158-L181 HydrophobicContact CG2-CD1 4.49Å; F177-L181 HydrophobicContact CD1-CD1 3.8Å; F177-L181 HydrophobicContact CD1-CG 4.12Å; F177-L181 HydrophobicContact CE1-CD1 3.32Å; F177-L181 HydrophobicContact CE1-CD2 4.17Å; F177-L181 HydrophobicContact CE1-CG 3.68Å; F177-L181 HydrophobicContact CE2-CD2 4.46Å; F177-L181 HydrophobicContact CE2-CG 4.33Å; F177-L181 HydrophobicContact CZ-CD1 3.9Å; F177-L181 HydrophobicContact CZ-CD2 3.86Å; F177-L181 HydrophobicContact CZ-CG 3.8Å; F177-L181 PolarHBondContact O-N 2.86Å; S178-L181 PolarHBondContact O-N 3.38Å; L181-G183 VanDerWaalsContact C-N 3.27Å; L181-G183 PolarHBondContact O-N 2.76Å; L181-T184 WeakPolarHBondContact O-CB 3.23Å; L181-T184 PolarHBondContact O-N 2.84Å; L181-T184 PolarHBondContact O-OG1 3.35Å; L181-V188 HydrophobicContact CD1-CB 4.38Å; L181-V188 HydrophobicContact CD1-CG1 4.06Å; L181-V188 HydrophobicContact CD2-CG1 4.41Å; L181-V188 HydrophobicContact CD2-CG2 4.46Å; L181-L190 HydrophobicContact CD1-CD1 4.2Å |
| 182 | N | 96.7 | Very high | 97.9 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 176.8 | -74.5 | -15.4 | 0 | 0 | 0 | 111.6 | S178 T184 G185 | S178-N182 PolarHBondContact O-N 2.62Å; N182-T184 PolarHBondContact O-N 3.18Å; N182-T184 VanDerWaalsContact O-N 3.17Å; N182-G185 PolarHBondContact O-N 3.2Å |
| 183 | G | 97.6 | Very high | 97.9 | Very high | 70 Ų | 70 | 35.1 Ų | 35.1 | 72% | 0.722 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.4 | -16 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R179 L180 L181 G185 | R179-G183 PolarHBondContact O-N 3.2Å; L180-G183 PolarHBondContact O-N 3.03Å; L181-G183 VanDerWaalsContact C-N 3.27Å; L181-G183 PolarHBondContact O-N 2.76Å; G183-G185 VanDerWaalsContact C-N 3.26Å |
| 184 | T | 98.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 35.4 Ų | 35.4 | 28% | 0.276 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.2 | 172 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | A147 A151 L180 L181 N182 R186 | A147-T184 HydrophobicContact CB-CG2 4.35Å; A151-T184 VanDerWaalsContact CB-CB 3.46Å; A151-T184 HydrophobicContact CB-CG2 3.77Å; A151-T184 WeakPolarHBondContact CB-OG1 3.48Å; L180-T184 VanDerWaalsContact O-CG2 3.31Å; L180-T184 WeakPolarHBondContact O-CG2 3.33Å; L180-T184 PolarHBondContact O-N 3.08Å; L181-T184 WeakPolarHBondContact O-CB 3.23Å; L181-T184 PolarHBondContact O-N 2.84Å; L181-T184 PolarHBondContact O-OG1 3.35Å; N182-T184 PolarHBondContact O-N 3.18Å; N182-T184 VanDerWaalsContact O-N 3.17Å; T184-R186 PolarHBondContact O-N 2.78Å; T184-R186 PolarHBondContact OG1-N 2.81Å |
| 185 | G | 96.7 | Very high | 97.8 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 69% | 0.691 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -5.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N182 G183 | N182-G185 PolarHBondContact O-N 3.2Å; G183-G185 VanDerWaalsContact C-N 3.26Å |
| 186 | R | 97.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 23% | 0.234 | 21% | 0.205 | C | C | . | . | trans | -84.7 | 129.4 | 173.4 | -175.5 | 172.7 | -177.2 | 71 | 6.1 | 110.4 | H116 A151 G154 V155 D156 T184 V188 | H116-R186 PolarHBondContact CE1-NH2 3.12Å; A151-R186 HydrophobicContact CB-CB 4.04Å; G154-R186 VanDerWaalsContact C-NH2 3.27Å; G154-R186 VanDerWaalsContact CA-CZ 3.4Å; G154-R186 VanDerWaalsContact CA-NE 3.35Å; G154-R186 PolarHBondContact O-NE 3.06Å; G154-R186 PolarHBondContact O-NH2 2.78Å; V155-R186 WeakPolarHBondContact O-CD 2.92Å; V155-R186 PolarHBondContact O-NE 2.85Å; D156-R186 IonicContact OD1-CZ 2.64Å; D156-R186 IonicContact OD1-NH2 2.87Å; D156-R186 PolarHBondContact OD1-NH2 3.11Å; D156-R186 IonicContact OD2-NH2 3.67Å; T184-R186 PolarHBondContact O-N 2.78Å; T184-R186 PolarHBondContact OG1-N 2.81Å; R186-V188 HydrophobicContact CB-CG2 4.33Å; R186-V188 HydrophobicContact CG-CG2 4Å; R186-V188 PolarHBondContact O-N 3.07Å | ||
| 187 | P | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 32 Ų | 32 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | trans | -66.7 | 116.6 | 169.8 | -16.9 | 30.6 | 0 | 0 | 0 | 110.4 | L26 | L26-P187 HydrophobicContact CD1-CB 3.89Å; L26-P187 HydrophobicContact CD2-CB 4.01Å; L26-P187 HydrophobicContact CG-CB 4.34Å | ||
| 188 | V | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | trans | -131.2 | 123.1 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | L26 V150 D156 V158 L181 R186 L190 | L26-V188 VanDerWaalsContact CD1-C 3.44Å; V150-V188 HydrophobicContact CG1-CG1 4.26Å; V150-V188 HydrophobicContact CG1-CG2 4.11Å; D156-V188 WeakPolarHBondContact O-CA 3.02Å; V158-V188 HydrophobicContact CB-CG1 4.28Å; V158-V188 HydrophobicContact CG2-CG1 3.77Å; L181-V188 HydrophobicContact CD1-CB 4.38Å; L181-V188 HydrophobicContact CD1-CG1 4.06Å; L181-V188 HydrophobicContact CD2-CG1 4.41Å; L181-V188 HydrophobicContact CD2-CG2 4.46Å; R186-V188 HydrophobicContact CB-CG2 4.33Å; R186-V188 HydrophobicContact CG-CG2 4Å; R186-V188 PolarHBondContact O-N 3.07Å; V188-L190 PolarHBondContact O-N 2.92Å | ||
| 189 | T | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 125 | 173.4 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | A27 P31 Y78 D156 Y157 V158 N217 | A27-T189 HydrophobicContact CB-CG2 4.33Å; P31-T189 HydrophobicContact CG-CG2 4.49Å; Y78-T189 PolarHBondContact OH-OG1 3.17Å; D156-T189 PolarHBondContact O-N 2.03Å; Y157-T189 CarbonylContact C-O 3.54Å; Y157-T189 VanDerWaalsContact CA-O 3.29Å; Y157-T189 WeakPolarHBondContact CA-O 3.26Å; Y157-T189 HydrophobicContact CD2-CG2 3.52Å; Y157-T189 HydrophobicContact CE2-CG2 3.65Å; V158-T189 PolarHBondContact N-O 3.41Å; T189-N217 WeakPolarHBondContact CA-OD1 3.41Å; T189-N217 HydrophobicContact CG2-CB 3.72Å |
| 190 | L | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.1 | -179.2 | -178.7 | 61.6 | 0 | 0 | 0 | 112.1 | V158 M160 F177 L181 V188 N217 L218 | V158-L190 HydrophobicContact CB-CD1 4.2Å; V158-L190 HydrophobicContact CG1-CD1 4.21Å; M160-L190 HydrophobicContact CB-CD1 4.15Å; F177-L190 HydrophobicContact CD1-CD1 4.01Å; F177-L190 HydrophobicContact CD1-CD2 4.42Å; F177-L190 HydrophobicContact CE1-CD1 4.05Å; L181-L190 HydrophobicContact CD1-CD1 4.2Å; V188-L190 PolarHBondContact O-N 2.92Å; L190-N217 PolarHBondContact N-OD1 3.05Å; L190-N217 PolarHBondContact O-N 3.26Å; L190-L218 PolarHBondContact O-N 2.75Å; L190-L218 VanDerWaalsContact O-N 3.14Å |
| 191 | L | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.4 | 167.5 | 165.9 | 64.1 | 0 | 0 | 0 | 110.8 | Y157 V158 K159 M160 T193 L218 R220 D257 | Y157-L191 HydrophobicContact CE1-CB 4.01Å; Y157-L191 WeakPolarHBondContact OH-CB 3.45Å; Y157-L191 WeakPolarHBondContact OH-CD2 3.23Å; V158-L191 PolarHBondContact O-N 3.25Å; K159-L191 HydrophobicContact CB-CD2 4.18Å; K159-L191 HydrophobicContact CD-CD2 4.03Å; K159-L191 HydrophobicContact CG-CD2 3.77Å; K159-L191 HydrophobicContact CG-CG 4.33Å; M160-L191 PolarHBondContact N-O 2.91Å; L191-T193 HydrophobicContact CD2-CG2 4.32Å; L191-T193 HydrophobicContact CG-CG2 4.05Å; L191-L218 WeakPolarHBondContact CA-O 3.48Å; L191-L218 HydrophobicContact CB-CB 4.04Å; L191-L218 HydrophobicContact CB-CD1 4.31Å; L191-L218 HydrophobicContact CD1-CB 3.52Å; L191-L218 HydrophobicContact CG-CB 4.37Å; L191-R220 HydrophobicContact CD1-CB 4.47Å; L191-D257 HydrophobicContact CD1-CB 4.05Å; L191-D257 WeakPolarHBondContact CD1-OD2 3.46Å; L191-D257 VanDerWaalsContact CD2-OD2 3.28Å; L191-D257 WeakPolarHBondContact CD2-OD2 3.41Å |
| 192 | C | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 115.2 | 177.8 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | F174 Y194 L212 C216 L218 W219 R220 | F174-C192 HydrophobicContact CD1-CB 3.72Å; F174-C192 VanDerWaalsContact CD1-SG 3.55Å; F174-C192 HydrophobicContact CE1-CB 4.04Å; C192-Y194 HydrophobicContact CB-CD1 4.21Å; C192-Y194 HydrophobicContact CB-CE1 4.22Å; C192-L212 HydrophobicContact CB-CD2 3.95Å; C192-C216 HydrophobicContact CB-CB 3.67Å; C192-C216 WeakPolarHBondContact CB-SG 3.16Å; C192-C216 WeakPolarHBondContact SG-CB 3.36Å; C192-C216 CovalentContact SG-SG 2.01Å; C192-C216 PolarHBondContact SG-SG 3.39Å; C192-L218 PolarHBondContact N-O 2.98Å; C192-W219 HydrophobicContact CB-CB 4.35Å; C192-W219 CarbonylContact O-C 3.5Å; C192-W219 WeakPolarHBondContact O-CA 3.43Å; C192-W219 VanDerWaalsContact O-CB 3.31Å; C192-W219 WeakPolarHBondContact O-CB 3.34Å; C192-R220 PolarHBondContact O-N 3.46Å |
| 193 | T | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -99.1 | -3.5 | -173.8 | 68.5 | 0 | 0 | 0 | 0 | 114.8 | K159 M160 H161 L191 P195 A196 Y197 R220 | K159-T193 HydrophobicContact CG-CG2 3.97Å; M160-T193 WeakPolarHBondContact O-CB 3.4Å; M160-T193 WeakPolarHBondContact O-CG2 3.42Å; M160-T193 PolarHBondContact O-N 2.81Å; M160-T193 PolarHBondContact O-OG1 3.12Å; H161-T193 VanDerWaalsContact CA-OG1 3.23Å; H161-T193 WeakPolarHBondContact CA-OG1 3.4Å; H161-T193 PolarHBondContact ND1-OG1 2.81Å; L191-T193 HydrophobicContact CD2-CG2 4.32Å; L191-T193 HydrophobicContact CG-CG2 4.05Å; T193-P195 VanDerWaalsContact C-N 3.33Å; T193-A196 WeakPolarHBondContact O-CB 3.2Å; T193-A196 PolarHBondContact O-N 3.16Å; T193-Y197 VanDerWaalsContact O-CD2 3.26Å; T193-Y197 WeakPolarHBondContact O-CD2 3.49Å; T193-Y197 WeakPolarHBondContact O-CE2 3.17Å; T193-R220 HydrophobicContact CG2-CB 4.15Å | ||
| 194 | Y | 96.4 | Very high | 96 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -57.1 | -33.1 | -175.4 | 75.8 | -101.3 | 0 | 0 | 0 | 115.1 | E170 P171 F174 C192 A196 Y197 L212 | E170-Y194 HydrophobicContact CB-CD2 4.3Å; E170-Y194 HydrophobicContact CB-CG 4Å; E170-Y194 WeakPolarHBondContact OE2-CB 3.25Å; P171-Y194 HydrophobicContact CG-CE2 4.22Å; F174-Y194 HydrophobicContact CB-CD1 4.33Å; F174-Y194 HydrophobicContact CB-CE1 4.32Å; F174-Y194 AromaticContact CD1-CD1 3.89Å; F174-Y194 HydrophobicContact CD1-CD1 3.89Å; F174-Y194 HydrophobicContact CD1-CE1 4.48Å; F174-Y194 HydrophobicContact CD2-CD1 4.01Å; F174-Y194 HydrophobicContact CE1-CD1 4.09Å; F174-Y194 HydrophobicContact CE2-CD1 4.2Å; F174-Y194 AromaticContact CG-CD1 3.81Å; F174-Y194 HydrophobicContact CG-CD1 3.81Å; F174-Y194 HydrophobicContact CG-CE1 4.29Å; F174-Y194 HydrophobicContact CZ-CD1 4.23Å; C192-Y194 HydrophobicContact CB-CD1 4.21Å; C192-Y194 HydrophobicContact CB-CE1 4.22Å; Y194-A196 PolarHBondContact O-N 2.94Å; Y194-Y197 PolarHBondContact O-N 2.9Å; Y194-L212 HydrophobicContact CD1-CD2 4.41Å; Y194-L212 HydrophobicContact CE1-CD2 3.4Å; Y194-L212 VanDerWaalsContact CE1-CD2 3.4Å; Y194-L212 HydrophobicContact CE1-CG 4.36Å; Y194-L212 HydrophobicContact CE2-CD2 4.42Å; Y194-L212 VanDerWaalsContact CZ-CD2 3.41Å; Y194-L212 WeakPolarHBondContact OH-CD2 3.46Å; Y194-L212 VanDerWaalsContact OH-CG 3.23Å; Y194-L212 WeakPolarHBondContact OH-CG 3.47Å |
| 195 | P | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58.9 | -34.8 | 176.3 | -25.1 | 36.8 | 0 | 0 | 0 | 112.5 | T193 Y197 S198 V207 L212 W219 R220 | T193-P195 VanDerWaalsContact C-N 3.33Å; P195-Y197 PolarHBondContact O-N 3.34Å; P195-Y197 VanDerWaalsContact O-N 3.12Å; P195-S198 PolarHBondContact O-N 3.38Å; P195-S198 VanDerWaalsContact O-N 3.11Å; P195-S198 PolarHBondContact O-OG 3.48Å; P195-V207 HydrophobicContact CB-CG1 4.45Å; P195-V207 HydrophobicContact CB-CG2 4Å; P195-V207 HydrophobicContact CG-CG1 4.24Å; P195-V207 HydrophobicContact CG-CG2 4.48Å; P195-L212 HydrophobicContact CG-CD1 3.67Å; P195-L212 HydrophobicContact CG-CD2 4.3Å; P195-W219 HydrophobicContact CG-CB 4.28Å; P195-R220 WeakPolarHBondContact CB-O 3.31Å |
| 196 | A | 94.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -65.8 | -12.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T193 Y194 R220 S222 | T193-A196 WeakPolarHBondContact O-CB 3.2Å; T193-A196 PolarHBondContact O-N 3.16Å; Y194-A196 PolarHBondContact O-N 2.94Å; A196-R220 HydrophobicContact CB-CB 4.03Å; A196-R220 HydrophobicContact CB-CG 3.87Å; A196-R220 PolarHBondContact N-O 3.36Å; A196-S222 WeakPolarHBondContact CB-O 3.38Å |
| 197 | Y | 91.5 | Very high | 95.7 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 26% | 0.259 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -102 | 5.6 | 177.4 | -59.4 | -82.2 | 0 | 0 | 0 | 113.2 | C133 H161 A162 C163 Q167 T193 Y194 P195 | C133-Y197 PolarHBondContact SG-OH 3.12Å; H161-Y197 PolarHBondContact ND1-OH 3.14Å; A162-Y197 HydrophobicContact CB-CD2 3.71Å; A162-Y197 HydrophobicContact CB-CE2 4.06Å; A162-Y197 HydrophobicContact CB-CG 4.46Å; C163-Y197 WeakPolarHBondContact SG-CE1 3.46Å; Q167-Y197 PolarHBondContact NE2-O 3.41Å; T193-Y197 VanDerWaalsContact O-CD2 3.26Å; T193-Y197 WeakPolarHBondContact O-CD2 3.49Å; T193-Y197 WeakPolarHBondContact O-CE2 3.17Å; Y194-Y197 PolarHBondContact O-N 2.9Å; P195-Y197 PolarHBondContact O-N 3.34Å; P195-Y197 VanDerWaalsContact O-N 3.12Å |
| 198 | S | 91.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -112.9 | 165.4 | 178.2 | 75.7 | 0 | 0 | 0 | 0 | 111.8 | P195 W200 | P195-S198 PolarHBondContact O-N 3.38Å; P195-S198 VanDerWaalsContact O-N 3.11Å; P195-S198 PolarHBondContact O-OG 3.48Å; S198-W200 PolarHBondContact O-N 3.01Å; S198-W200 WeakPolarHBondContact OG-CB 3.47Å; S198-W200 PolarHBondContact OG-N 3.32Å |
| 199 | Y | 92.9 | Very high | 95.6 | Very high | 185 Ų | 185 | 45.2 Ų | 45.2 | 73% | 0.725 | 23% | 0.232 | S | C | * | . | trans | -87.8 | 30.1 | 174.7 | -60.9 | -74.5 | 0 | 0 | 0 | 113 | L201 S202 N203 | Y199-L201 PolarHBondContact O-N 3.05Å; Y199-L201 VanDerWaalsContact O-N 3.11Å; Y199-S202 WeakPolarHBondContact O-CB 3.45Å; Y199-S202 PolarHBondContact O-N 3.11Å; Y199-N203 PolarHBondContact O-N 3.1Å | ||
| 200 | W | 95 | Very high | 95.6 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.6 | -175 | 77.2 | -85.7 | 0 | 0 | 0 | 113.5 | S198 S202 N203 H204 L206 V207 W209 V221 R242 L246 | S198-W200 PolarHBondContact O-N 3.01Å; S198-W200 WeakPolarHBondContact OG-CB 3.47Å; S198-W200 PolarHBondContact OG-N 3.32Å; W200-S202 PolarHBondContact O-N 3.21Å; W200-S202 VanDerWaalsContact O-N 3.15Å; W200-N203 VanDerWaalsContact CA-O 3.28Å; W200-N203 WeakPolarHBondContact CA-O 3.47Å; W200-N203 CarbonylContact O-C 3.53Å; W200-N203 PolarHBondContact O-N 2.85Å; W200-N203 VanDerWaalsContact O-N 3.11Å; W200-H204 HydrophobicContact CE3-CB 4.47Å; W200-H204 WeakPolarHBondContact O-CA 3Å; W200-H204 PolarHBondContact O-N 3.41Å; W200-H204 VanDerWaalsContact O-N 3.08Å; W200-L206 HydrophobicContact CB-CB 4.44Å; W200-V207 HydrophobicContact CB-CB 4.43Å; W200-V207 HydrophobicContact CB-CG2 3.57Å; W200-V207 HydrophobicContact CG-CG2 3.99Å; W200-W209 AromaticContact CD2-CH2 3.88Å; W200-W209 HydrophobicContact CD2-CH2 3.88Å; W200-W209 AromaticContact CD2-CZ2 3.85Å; W200-W209 HydrophobicContact CD2-CZ2 3.85Å; W200-W209 AromaticContact CE3-CH2 3.64Å; W200-W209 HydrophobicContact CE3-CH2 3.64Å; W200-W209 AromaticContact CE3-CZ2 3.33Å; W200-W209 HydrophobicContact CE3-CZ2 3.33Å; W200-W209 HydrophobicContact CG-CZ2 4.5Å; W200-W209 HydrophobicContact CH2-CH2 4.01Å; W200-W209 HydrophobicContact CH2-CZ2 4.42Å; W200-W209 HydrophobicContact CZ2-CH2 4.28Å; W200-W209 AromaticContact CZ3-CH2 3.65Å; W200-W209 HydrophobicContact CZ3-CH2 3.65Å; W200-W209 AromaticContact CZ3-CZ2 3.61Å; W200-W209 HydrophobicContact CZ3-CZ2 3.61Å; W200-V221 HydrophobicContact CH2-CB 4.38Å; W200-V221 HydrophobicContact CZ2-CB 3.76Å; W200-V221 HydrophobicContact CZ2-CG1 4.34Å; W200-V221 VanDerWaalsContact CZ2-O 3.27Å; W200-V221 WeakPolarHBondContact CZ2-O 3.27Å; W200-R242 HydrophobicContact CE3-CG 4.25Å; W200-R242 HydrophobicContact CH2-CB 3.99Å; W200-R242 HydrophobicContact CH2-CG 3.93Å; W200-R242 HydrophobicContact CZ3-CB 3.75Å; W200-R242 HydrophobicContact CZ3-CG 3.45Å; W200-R242 VanDerWaalsContact CZ3-CG 3.45Å; W200-R242 PolarHBondContact O-NE 3.14Å; W200-L246 HydrophobicContact CH2-CD1 4.17Å; W200-L246 HydrophobicContact CH2-CD2 3.78Å; W200-L246 HydrophobicContact CH2-CG 4.2Å; W200-L246 HydrophobicContact CZ3-CD2 4.23Å |
| 201 | L | 94.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 54.2 Ų | 54.2 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.3 | 174.3 | -166.1 | 72.5 | 0 | 0 | 0 | 112.5 | Y199 L241 R242 | Y199-L201 PolarHBondContact O-N 3.05Å; Y199-L201 VanDerWaalsContact O-N 3.11Å; L201-L241 HydrophobicContact CD1-CD2 4.18Å; L201-L241 HydrophobicContact CD2-CD2 4.29Å; L201-L241 HydrophobicContact CG-CD2 3.88Å; L201-R242 HydrophobicContact CD1-CG 3.69Å; L201-R242 PolarHBondContact O-NE 3.49Å; L201-R242 PolarHBondContact O-NH1 2.86Å; L201-R242 PolarHBondContact O-NH2 2.98Å |
| 202 | S | 95 | Very high | 95.4 | Very high | 102 Ų | 102 | 54 Ų | 54 | 71% | 0.713 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -32.2 | 169.8 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | Y199 W200 R242 | Y199-S202 WeakPolarHBondContact O-CB 3.45Å; Y199-S202 PolarHBondContact O-N 3.11Å; W200-S202 PolarHBondContact O-N 3.21Å; W200-S202 VanDerWaalsContact O-N 3.15Å; S202-R242 PolarHBondContact O-NH2 3.46Å |
| 203 | N | 95.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | trans | -141.5 | 101.4 | 175 | 176.3 | 11.5 | 0 | 0 | 0 | 110.7 | Y199 W200 N205 L206 | Y199-N203 PolarHBondContact O-N 3.1Å; W200-N203 VanDerWaalsContact CA-O 3.28Å; W200-N203 WeakPolarHBondContact CA-O 3.47Å; W200-N203 CarbonylContact O-C 3.53Å; W200-N203 PolarHBondContact O-N 2.85Å; W200-N203 VanDerWaalsContact O-N 3.11Å; N203-N205 PolarHBondContact O-N 3.1Å; N203-N205 VanDerWaalsContact O-N 3.13Å; N203-N205 WeakPolarHBondContact OD1-CB 3.42Å; N203-N205 PolarHBondContact OD1-N 3.42Å; N203-L206 HydrophobicContact CB-CD1 4.11Å; N203-L206 HydrophobicContact CB-CG 4.09Å; N203-L206 WeakPolarHBondContact O-CB 3.32Å; N203-L206 WeakPolarHBondContact O-CG 3.01Å; N203-L206 PolarHBondContact O-N 2.89Å; N203-L206 VanDerWaalsContact O-N 3.14Å | ||
| 204 | H | 93.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 59.4 Ų | 59.4 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -67.8 | -15.5 | -172.8 | 72 | 76.8 | 0 | 0 | 0 | 113.7 | W200 L206 V207 W209 D244 V245 | W200-H204 HydrophobicContact CE3-CB 4.47Å; W200-H204 WeakPolarHBondContact O-CA 3Å; W200-H204 PolarHBondContact O-N 3.41Å; W200-H204 VanDerWaalsContact O-N 3.08Å; H204-L206 PolarHBondContact O-N 2.92Å; H204-V207 PolarHBondContact O-N 3.21Å; H204-W209 PolarHBondContact O-NE1 2.99Å; H204-W209 VanDerWaalsContact O-NE1 3.14Å; H204-D244 IonicContact CD2-OD2 2.82Å; H204-V245 HydrophobicContact CB-CG2 3.94Å |
| 205 | N | 94.9 | Very high | 95.3 | Very high | 120 Ų | 120 | 59.6 Ų | 59.6 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -73.2 | -7.1 | 176.3 | -62.9 | -41.6 | 0 | 0 | 0 | 113.1 | N203 V207 | N203-N205 PolarHBondContact O-N 3.1Å; N203-N205 VanDerWaalsContact O-N 3.13Å; N203-N205 WeakPolarHBondContact OD1-CB 3.42Å; N203-N205 PolarHBondContact OD1-N 3.42Å; N205-V207 PolarHBondContact O-N 3.19Å |
| 206 | L | 94.9 | Very high | 95.4 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -71.1 | -14.4 | 172.6 | -65.8 | 176.4 | 0 | 0 | 0 | 112.9 | W200 N203 H204 | W200-L206 HydrophobicContact CB-CB 4.44Å; N203-L206 HydrophobicContact CB-CD1 4.11Å; N203-L206 HydrophobicContact CB-CG 4.09Å; N203-L206 WeakPolarHBondContact O-CB 3.32Å; N203-L206 WeakPolarHBondContact O-CG 3.01Å; N203-L206 PolarHBondContact O-N 2.89Å; N203-L206 VanDerWaalsContact O-N 3.14Å; H204-L206 PolarHBondContact O-N 2.92Å |
| 207 | V | 96.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -119.1 | 129.1 | 179 | 173.1 | 0 | 0 | 0 | 0 | 108.9 | P195 W200 H204 N205 W209 L212 | P195-V207 HydrophobicContact CB-CG1 4.45Å; P195-V207 HydrophobicContact CB-CG2 4Å; P195-V207 HydrophobicContact CG-CG1 4.24Å; P195-V207 HydrophobicContact CG-CG2 4.48Å; W200-V207 HydrophobicContact CB-CB 4.43Å; W200-V207 HydrophobicContact CB-CG2 3.57Å; W200-V207 HydrophobicContact CG-CG2 3.99Å; H204-V207 PolarHBondContact O-N 3.21Å; N205-V207 PolarHBondContact O-N 3.19Å; V207-W209 HydrophobicContact CB-CD2 4.41Å; V207-W209 HydrophobicContact CB-CH2 4.47Å; V207-W209 HydrophobicContact CB-CZ2 3.85Å; V207-W209 HydrophobicContact CG1-CD2 3.78Å; V207-W209 HydrophobicContact CG1-CE3 4.01Å; V207-W209 HydrophobicContact CG1-CG 4.3Å; V207-W209 HydrophobicContact CG1-CH2 4.13Å; V207-W209 HydrophobicContact CG1-CZ2 3.87Å; V207-W209 HydrophobicContact CG1-CZ3 4.19Å; V207-W209 HydrophobicContact CG2-CZ2 4.43Å; V207-W209 PolarHBondContact O-N 3.26Å; V207-W209 PolarHBondContact O-NE1 2.73Å; V207-L212 HydrophobicContact CG1-CD1 3.43Å; V207-L212 VanDerWaalsContact CG1-CD1 3.43Å; V207-L212 HydrophobicContact CG1-CG 4.43Å |
| 208 | D | 96.5 | Very high | 95.9 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | trans | -85 | 95 | 170.5 | -174.5 | -17.1 | 0 | 0 | 0 | 109.2 | E210 R211 L212 | D208-E210 PolarHBondContact OD1-N 2.83Å; D208-R211 HydrophobicContact CB-CB 3.84Å; D208-R211 PolarHBondContact O-N 2.96Å; D208-R211 WeakPolarHBondContact OD1-CB 3.29Å; D208-R211 PolarHBondContact OD1-N 3.11Å; D208-R211 WeakPolarHBondContact OD2-CB 3.45Å; D208-L212 PolarHBondContact O-N 2.98Å | ||
| 209 | W | 97.2 | Very high | 96.3 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.6 | -34 | -175.7 | -57.6 | 93.9 | 0 | 0 | 0 | 113.2 | W200 H204 V207 R211 L212 Q213 W219 V221 V245 L246 V249 | W200-W209 AromaticContact CD2-CH2 3.88Å; W200-W209 HydrophobicContact CD2-CH2 3.88Å; W200-W209 AromaticContact CD2-CZ2 3.85Å; W200-W209 HydrophobicContact CD2-CZ2 3.85Å; W200-W209 AromaticContact CE3-CH2 3.64Å; W200-W209 HydrophobicContact CE3-CH2 3.64Å; W200-W209 AromaticContact CE3-CZ2 3.33Å; W200-W209 HydrophobicContact CE3-CZ2 3.33Å; W200-W209 HydrophobicContact CG-CZ2 4.5Å; W200-W209 HydrophobicContact CH2-CH2 4.01Å; W200-W209 HydrophobicContact CH2-CZ2 4.42Å; W200-W209 HydrophobicContact CZ2-CH2 4.28Å; W200-W209 AromaticContact CZ3-CH2 3.65Å; W200-W209 HydrophobicContact CZ3-CH2 3.65Å; W200-W209 AromaticContact CZ3-CZ2 3.61Å; W200-W209 HydrophobicContact CZ3-CZ2 3.61Å; H204-W209 PolarHBondContact O-NE1 2.99Å; H204-W209 VanDerWaalsContact O-NE1 3.14Å; V207-W209 HydrophobicContact CB-CD2 4.41Å; V207-W209 HydrophobicContact CB-CH2 4.47Å; V207-W209 HydrophobicContact CB-CZ2 3.85Å; V207-W209 HydrophobicContact CG1-CD2 3.78Å; V207-W209 HydrophobicContact CG1-CE3 4.01Å; V207-W209 HydrophobicContact CG1-CG 4.3Å; V207-W209 HydrophobicContact CG1-CH2 4.13Å; V207-W209 HydrophobicContact CG1-CZ2 3.87Å; V207-W209 HydrophobicContact CG1-CZ3 4.19Å; V207-W209 HydrophobicContact CG2-CZ2 4.43Å; V207-W209 PolarHBondContact O-N 3.26Å; V207-W209 PolarHBondContact O-NE1 2.73Å; W209-R211 VanDerWaalsContact C-N 3.32Å; W209-L212 HydrophobicContact CE3-CD1 3.92Å; W209-L212 HydrophobicContact CZ3-CD1 4.22Å; W209-L212 WeakPolarHBondContact O-CB 3.46Å; W209-L212 PolarHBondContact O-N 3.06Å; W209-Q213 WeakPolarHBondContact O-CG 3.43Å; W209-Q213 PolarHBondContact O-N 2.85Å; W209-W219 AromaticContact CE3-NE1 3.82Å; W209-W219 AromaticContact CZ3-CD1 3.79Å; W209-W219 AromaticContact CZ3-NE1 3.48Å; W209-V221 HydrophobicContact CZ3-CG1 4.39Å; W209-V245 HydrophobicContact CD2-CG1 3.96Å; W209-V245 HydrophobicContact CG-CG1 4.16Å; W209-V245 HydrophobicContact CZ2-CG1 4.17Å; W209-L246 HydrophobicContact CH2-CD2 4.16Å; W209-L246 HydrophobicContact CZ3-CD2 4.23Å; W209-V249 HydrophobicContact CB-CB 4.34Å; W209-V249 HydrophobicContact CB-CG1 3.65Å; W209-V249 HydrophobicContact CD2-CG1 4.49Å; W209-V249 HydrophobicContact CD2-CG2 4.49Å; W209-V249 HydrophobicContact CE3-CG2 4Å; W209-V249 HydrophobicContact CG-CG1 4.06Å |
| 210 | E | 96.6 | Very high | 96.5 | Very high | 137 Ų | 137 | 45.9 Ų | 45.9 | 64% | 0.64 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.9 | -41.8 | 175.8 | -178.6 | 175.2 | -173.2 | 0 | 0 | 109.8 | D208 L212 Q213 N214 | D208-E210 PolarHBondContact OD1-N 2.83Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 3.2Å; E210-Q213 PolarHBondContact O-N 3.11Å; E210-N214 WeakPolarHBondContact O-CB 3.44Å; E210-N214 PolarHBondContact O-N 3.15Å; E210-N214 PolarHBondContact O-ND2 2.91Å; E210-N214 VanDerWaalsContact O-ND2 3.09Å |
| 211 | R | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 21% | 0.211 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -37 | 173.3 | -170.8 | 172.7 | -170.3 | -177.4 | 2.4 | 112.7 | D172 E175 D208 W209 N214 N215 | D172-R211 VanDerWaalsContact CA-NH2 3.32Å; D172-R211 IonicContact OD1-CZ 2.75Å; D172-R211 IonicContact OD1-NH1 3.86Å; D172-R211 PolarHBondContact OD1-NH1 3.4Å; D172-R211 IonicContact OD1-NH2 2.98Å; D172-R211 PolarHBondContact OD1-NH2 3.44Å; E175-R211 IonicContact OE2-CZ 3.91Å; E175-R211 IonicContact OE2-NE 3.69Å; E175-R211 PolarHBondContact OE2-NE 3.39Å; E175-R211 IonicContact OE2-NH2 2.64Å; E175-R211 PolarHBondContact OE2-NH2 3.28Å; D208-R211 HydrophobicContact CB-CB 3.84Å; D208-R211 PolarHBondContact O-N 2.96Å; D208-R211 WeakPolarHBondContact OD1-CB 3.29Å; D208-R211 PolarHBondContact OD1-N 3.11Å; D208-R211 WeakPolarHBondContact OD2-CB 3.45Å; W209-R211 VanDerWaalsContact C-N 3.32Å; R211-N214 PolarHBondContact O-N 3.33Å; R211-N215 WeakPolarHBondContact O-CB 3.41Å; R211-N215 PolarHBondContact O-N 3.39Å; R211-N215 PolarHBondContact O-ND2 2.64Å |
| 212 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -50.4 | 171.5 | -81 | 170.9 | 0 | 0 | 0 | 112 | C192 Y194 P195 V207 D208 W209 E210 N214 N215 C216 W219 | C192-L212 HydrophobicContact CB-CD2 3.95Å; Y194-L212 HydrophobicContact CD1-CD2 4.41Å; Y194-L212 HydrophobicContact CE1-CD2 3.4Å; Y194-L212 VanDerWaalsContact CE1-CD2 3.4Å; Y194-L212 HydrophobicContact CE1-CG 4.36Å; Y194-L212 HydrophobicContact CE2-CD2 4.42Å; Y194-L212 VanDerWaalsContact CZ-CD2 3.41Å; Y194-L212 WeakPolarHBondContact OH-CD2 3.46Å; Y194-L212 VanDerWaalsContact OH-CG 3.23Å; Y194-L212 WeakPolarHBondContact OH-CG 3.47Å; P195-L212 HydrophobicContact CG-CD1 3.67Å; P195-L212 HydrophobicContact CG-CD2 4.3Å; V207-L212 HydrophobicContact CG1-CD1 3.43Å; V207-L212 VanDerWaalsContact CG1-CD1 3.43Å; V207-L212 HydrophobicContact CG1-CG 4.43Å; D208-L212 PolarHBondContact O-N 2.98Å; W209-L212 HydrophobicContact CE3-CD1 3.92Å; W209-L212 HydrophobicContact CZ3-CD1 4.22Å; W209-L212 WeakPolarHBondContact O-CB 3.46Å; W209-L212 PolarHBondContact O-N 3.06Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 3.2Å; L212-N214 PolarHBondContact O-N 2.82Å; L212-N215 PolarHBondContact O-N 2.71Å; L212-N215 VanDerWaalsContact O-N 3.09Å; L212-C216 HydrophobicContact CD2-CB 4.31Å; L212-C216 WeakPolarHBondContact O-CB 3.47Å; L212-C216 PolarHBondContact O-N 2.92Å; L212-W219 HydrophobicContact CB-CD2 4Å; L212-W219 HydrophobicContact CB-CE3 3.69Å; L212-W219 HydrophobicContact CB-CZ3 3.97Å; L212-W219 HydrophobicContact CD1-CB 4.13Å; L212-W219 HydrophobicContact CD1-CD2 3.99Å; L212-W219 HydrophobicContact CD1-CG 3.79Å; L212-W219 HydrophobicContact CD2-CB 3.91Å; L212-W219 HydrophobicContact CD2-CD2 4.47Å; L212-W219 HydrophobicContact CD2-CE3 4.4Å; L212-W219 HydrophobicContact CD2-CG 4.29Å; L212-W219 HydrophobicContact CG-CD2 4.39Å; L212-W219 HydrophobicContact CG-CE3 4.42Å; L212-W219 HydrophobicContact CG-CG 4.45Å |
| 213 | Q | 96.8 | Very high | 96.4 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55 | -39.6 | 177.6 | -74.7 | 175.7 | -59.3 | 0 | 0 | 112.1 | W209 E210 N215 W219 V249 H254 | W209-Q213 WeakPolarHBondContact O-CG 3.43Å; W209-Q213 PolarHBondContact O-N 2.85Å; E210-Q213 PolarHBondContact O-N 3.11Å; Q213-N215 VanDerWaalsContact C-N 3.33Å; Q213-N215 PolarHBondContact O-N 3.24Å; Q213-W219 HydrophobicContact CG-CH2 3.56Å; Q213-W219 HydrophobicContact CG-CZ2 4.5Å; Q213-W219 HydrophobicContact CG-CZ3 4.12Å; Q213-V249 PolarHBondContact NE2-O 2.99Å; Q213-H254 HydrophobicContact CG-CB 4.36Å |
| 214 | N | 96.2 | Very high | 96.3 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 32% | 0.321 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.5 | -14.2 | -178.5 | -73.1 | -37.2 | 0 | 0 | 0 | 114.8 | L22 E210 R211 L212 | L22-N214 WeakPolarHBondContact CB-O 3.45Å; L22-N214 PolarHBondContact N-O 3.21Å; E210-N214 WeakPolarHBondContact O-CB 3.44Å; E210-N214 PolarHBondContact O-N 3.15Å; E210-N214 PolarHBondContact O-ND2 2.91Å; E210-N214 VanDerWaalsContact O-ND2 3.09Å; R211-N214 PolarHBondContact O-N 3.33Å; L212-N214 PolarHBondContact O-N 2.82Å |
| 215 | N | 97.2 | Very high | 96.5 | Very high | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -131.3 | -15.4 | -169.5 | -68.4 | -73.5 | 0 | 0 | 0 | 114.9 | E175 S178 R211 L212 Q213 | E175-N215 HydrophobicContact CB-CB 4.44Å; E175-N215 VanDerWaalsContact CG-OD1 3.26Å; E175-N215 WeakPolarHBondContact CG-OD1 3.43Å; S178-N215 WeakPolarHBondContact CB-O 3.08Å; S178-N215 PolarHBondContact OG-O 3.15Å; R211-N215 WeakPolarHBondContact O-CB 3.41Å; R211-N215 PolarHBondContact O-N 3.39Å; R211-N215 PolarHBondContact O-ND2 2.64Å; L212-N215 PolarHBondContact O-N 2.71Å; L212-N215 VanDerWaalsContact O-N 3.09Å; Q213-N215 VanDerWaalsContact C-N 3.33Å; Q213-N215 PolarHBondContact O-N 3.24Å |
| 216 | C | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | trans | -133.1 | 136.1 | -172.3 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | L22 C192 L212 L218 W219 | L22-C216 VanDerWaalsContact CD2-N 3.35Å; L22-C216 WeakPolarHBondContact CD2-O 3.41Å; C192-C216 HydrophobicContact CB-CB 3.67Å; C192-C216 WeakPolarHBondContact CB-SG 3.16Å; C192-C216 WeakPolarHBondContact SG-CB 3.36Å; C192-C216 CovalentContact SG-SG 2.01Å; C192-C216 PolarHBondContact SG-SG 3.39Å; L212-C216 HydrophobicContact CD2-CB 4.31Å; L212-C216 WeakPolarHBondContact O-CB 3.47Å; L212-C216 PolarHBondContact O-N 2.92Å; C216-L218 VanDerWaalsContact C-N 3.32Å; C216-W219 HydrophobicContact CB-CE3 4.25Å | ||
| 217 | N | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -77.7 | -24.9 | 175.2 | -67.6 | 110.1 | 0 | 0 | 0 | 112.8 | N24 A27 T189 L190 G253 H254 W255 | N24-N217 PolarHBondContact OD1-ND2 3.12Å; A27-N217 HydrophobicContact CB-CB 4.08Å; T189-N217 WeakPolarHBondContact CA-OD1 3.41Å; T189-N217 HydrophobicContact CG2-CB 3.72Å; L190-N217 PolarHBondContact N-OD1 3.05Å; L190-N217 PolarHBondContact O-N 3.26Å; N217-G253 CarbonylContact C-O 3.46Å; N217-G253 WeakPolarHBondContact CA-O 3.32Å; N217-G253 PolarHBondContact ND2-O 3.35Å; N217-H254 CarbonylContact O-C 3.6Å; N217-H254 WeakPolarHBondContact O-CA 3.5Å; N217-W255 PolarHBondContact O-N 2.99Å |
| 218 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154.8 | 178.8 | -60.6 | 169 | 0 | 0 | 0 | 108.3 | P31 Y157 L190 L191 C192 C216 W255 P286 | P31-L218 HydrophobicContact CG-CD1 4.07Å; Y157-L218 HydrophobicContact CE2-CD1 3.69Å; Y157-L218 VanDerWaalsContact OH-CD1 3.27Å; Y157-L218 WeakPolarHBondContact OH-CD1 3.28Å; L190-L218 PolarHBondContact O-N 2.75Å; L190-L218 VanDerWaalsContact O-N 3.14Å; L191-L218 WeakPolarHBondContact CA-O 3.48Å; L191-L218 HydrophobicContact CB-CB 4.04Å; L191-L218 HydrophobicContact CB-CD1 4.31Å; L191-L218 HydrophobicContact CD1-CB 3.52Å; L191-L218 HydrophobicContact CG-CB 4.37Å; C192-L218 PolarHBondContact N-O 2.98Å; C216-L218 VanDerWaalsContact C-N 3.32Å; L218-W255 WeakPolarHBondContact CA-O 3.48Å; L218-W255 HydrophobicContact CD2-CB 3.37Å; L218-W255 HydrophobicContact CD2-CG 3.66Å; L218-P286 HydrophobicContact CD1-CB 4.41Å; L218-P286 HydrophobicContact CD2-CB 4.49Å; L218-P286 HydrophobicContact CD2-CG 4.31Å |
| 219 | W | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 143.7 | 165.2 | 52.4 | 80.1 | 0 | 0 | 0 | 112.7 | C192 P195 W209 L212 Q213 C216 V221 V249 H254 W255 N256 D257 | C192-W219 HydrophobicContact CB-CB 4.35Å; C192-W219 CarbonylContact O-C 3.5Å; C192-W219 WeakPolarHBondContact O-CA 3.43Å; C192-W219 VanDerWaalsContact O-CB 3.31Å; C192-W219 WeakPolarHBondContact O-CB 3.34Å; P195-W219 HydrophobicContact CG-CB 4.28Å; W209-W219 AromaticContact CE3-NE1 3.82Å; W209-W219 AromaticContact CZ3-CD1 3.79Å; W209-W219 AromaticContact CZ3-NE1 3.48Å; L212-W219 HydrophobicContact CB-CD2 4Å; L212-W219 HydrophobicContact CB-CE3 3.69Å; L212-W219 HydrophobicContact CB-CZ3 3.97Å; L212-W219 HydrophobicContact CD1-CB 4.13Å; L212-W219 HydrophobicContact CD1-CD2 3.99Å; L212-W219 HydrophobicContact CD1-CG 3.79Å; L212-W219 HydrophobicContact CD2-CB 3.91Å; L212-W219 HydrophobicContact CD2-CD2 4.47Å; L212-W219 HydrophobicContact CD2-CE3 4.4Å; L212-W219 HydrophobicContact CD2-CG 4.29Å; L212-W219 HydrophobicContact CG-CD2 4.39Å; L212-W219 HydrophobicContact CG-CE3 4.42Å; L212-W219 HydrophobicContact CG-CG 4.45Å; Q213-W219 HydrophobicContact CG-CH2 3.56Å; Q213-W219 HydrophobicContact CG-CZ2 4.5Å; Q213-W219 HydrophobicContact CG-CZ3 4.12Å; C216-W219 HydrophobicContact CB-CE3 4.25Å; W219-V221 PolarHBondContact O-N 2.8Å; W219-V249 WeakPolarHBondContact CH2-O 3.49Å; W219-V249 HydrophobicContact CZ2-CB 4.11Å; W219-V249 HydrophobicContact CZ2-CG2 3.96Å; W219-H254 HydrophobicContact CH2-CB 3.67Å; W219-H254 HydrophobicContact CZ3-CB 3.68Å; W219-W255 PolarHBondContact N-O 3.39Å; W219-N256 PolarHBondContact NE1-OD1 2.86Å; W219-D257 WeakPolarHBondContact O-CB 3.26Å; W219-D257 PolarHBondContact O-N 2.89Å |
| 220 | R | 97.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.2 | -176.1 | -163.3 | -176.6 | -174.7 | -158.8 | 11.6 | 111 | L191 C192 T193 P195 A196 S222 N224 D257 D259 | L191-R220 HydrophobicContact CD1-CB 4.47Å; C192-R220 PolarHBondContact O-N 3.46Å; T193-R220 HydrophobicContact CG2-CB 4.15Å; P195-R220 WeakPolarHBondContact CB-O 3.31Å; A196-R220 HydrophobicContact CB-CB 4.03Å; A196-R220 HydrophobicContact CB-CG 3.87Å; A196-R220 PolarHBondContact N-O 3.36Å; R220-S222 PolarHBondContact NE-O 2.76Å; R220-S222 VanDerWaalsContact NE-O 3.12Å; R220-N224 PolarHBondContact NH1-OD1 3.34Å; R220-N224 VanDerWaalsContact NH2-N 3.15Å; R220-N224 PolarHBondContact NH2-OD1 3.07Å; R220-D257 WeakPolarHBondContact CA-O 3.37Å; R220-D259 IonicContact CZ-OD2 2.69Å; R220-D259 IonicContact NH2-OD1 3.13Å; R220-D259 IonicContact NH2-OD2 3.72Å; R220-D259 PolarHBondContact NH2-OD2 3.44Å |
| 221 | V | 97.1 | Very high | 96.8 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | trans | -103.8 | -9.5 | -176.8 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | W200 W209 W219 Y239 L246 N256 D257 | W200-V221 HydrophobicContact CH2-CB 4.38Å; W200-V221 HydrophobicContact CZ2-CB 3.76Å; W200-V221 HydrophobicContact CZ2-CG1 4.34Å; W200-V221 VanDerWaalsContact CZ2-O 3.27Å; W200-V221 WeakPolarHBondContact CZ2-O 3.27Å; W209-V221 HydrophobicContact CZ3-CG1 4.39Å; W219-V221 PolarHBondContact O-N 2.8Å; V221-Y239 HydrophobicContact CG2-CE2 3.45Å; V221-Y239 VanDerWaalsContact CG2-CE2 3.45Å; V221-Y239 WeakPolarHBondContact CG2-OH 3.38Å; V221-L246 HydrophobicContact CB-CD2 4.49Å; V221-L246 HydrophobicContact CG1-CD2 3.9Å; V221-N256 HydrophobicContact CG1-CB 3.99Å; V221-N256 HydrophobicContact CG2-CB 4.33Å; V221-D257 WeakPolarHBondContact CG2-O 3.38Å; V221-D257 PolarHBondContact N-O 3.48Å | ||
| 222 | S | 93.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 27 Ų | 27 | 11% | 0.105 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -130.7 | 162.9 | -176.3 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | A196 R220 P258 | A196-S222 WeakPolarHBondContact CB-O 3.38Å; R220-S222 PolarHBondContact NE-O 2.76Å; R220-S222 VanDerWaalsContact NE-O 3.12Å; S222-P258 WeakPolarHBondContact OG-CA 3.36Å; S222-P258 PolarHBondContact OG-O 2.79Å |
| 223 | S | 91.6 | Very high | 97 | Very high | 91 Ų | 91 | 28.2 Ų | 28.2 | 64% | 0.636 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -69.8 | 171.4 | 169.5 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | V225 | S223-V225 PolarHBondContact O-N 2.74Å; S223-V225 VanDerWaalsContact O-N 3.1Å |
| 224 | N | 94 | Very high | 97 | Very high | 60 Ų | 60 | 29.5 Ų | 29.5 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -50.2 | 116.1 | 178 | -68.8 | 4 | 0 | 0 | 0 | 112.5 | W37 R220 Q226 D259 | W37-N224 PolarHBondContact NE1-ND2 3.27Å; R220-N224 PolarHBondContact NH1-OD1 3.34Å; R220-N224 VanDerWaalsContact NH2-N 3.15Å; R220-N224 PolarHBondContact NH2-OD1 3.07Å; N224-Q226 PolarHBondContact O-NE2 2.98Å; N224-D259 VanDerWaalsContact CA-OD2 3.29Å; N224-D259 WeakPolarHBondContact CA-OD2 3.45Å |
| 225 | V | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 138.1 | 173.2 | 68.3 | 0 | 0 | 0 | 0 | 110.1 | R38 S223 I232 I235 D259 M260 V262 | R38-V225 WeakPolarHBondContact CD-O 3.43Å; R38-V225 HydrophobicContact CG-CG1 4.37Å; R38-V225 PolarHBondContact NE-O 3.32Å; R38-V225 PolarHBondContact NH1-O 2.95Å; S223-V225 PolarHBondContact O-N 2.74Å; S223-V225 VanDerWaalsContact O-N 3.1Å; V225-I232 HydrophobicContact CG2-CD1 3.69Å; V225-I235 HydrophobicContact CB-CD1 4.03Å; V225-I235 HydrophobicContact CG2-CD1 3.88Å; V225-D259 HydrophobicContact CB-CB 4.03Å; V225-D259 HydrophobicContact CG1-CB 3.98Å; V225-D259 PolarHBondContact N-OD2 2.64Å; V225-M260 HydrophobicContact CG1-CB 4.26Å; V225-M260 HydrophobicContact CG1-CE 4.36Å; V225-M260 WeakPolarHBondContact CG1-O 3.36Å; V225-V262 HydrophobicContact CG1-CG1 3.98Å; V225-V262 HydrophobicContact CG2-CG1 4.45Å; V225-V262 HydrophobicContact CG2-CG2 4.47Å |
| 226 | Q | 97 | Very high | 97.2 | Very high | 67 Ų | 67 | 26.6 Ų | 26.6 | 31% | 0.313 | 17% | 0.165 | S | C | . | . | trans | -115.8 | 151.3 | 174 | -51.3 | -61.8 | -44.6 | 0 | 0 | 109.8 | R38 N224 N228 S231 | R38-Q226 VanDerWaalsContact NH1-CD 3.29Å; N224-Q226 PolarHBondContact O-NE2 2.98Å; Q226-N228 WeakPolarHBondContact CB-ND2 3.32Å; Q226-N228 PolarHBondContact O-N 3.44Å; Q226-S231 PolarHBondContact N-OG 2.81Å | ||
| 227 | S | 96.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -76.7 | 55.9 | 175.7 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | V262 N265 N266 G267 | S227-V262 WeakPolarHBondContact OG-CB 3.47Å; S227-N265 WeakPolarHBondContact OG-CB 3.21Å; S227-N265 PolarHBondContact OG-ND2 3.13Å; S227-N266 VanDerWaalsContact CB-O 3.28Å; S227-N266 WeakPolarHBondContact CB-O 3.47Å; S227-G267 WeakPolarHBondContact O-CA 3.43Å |
| 228 | N | 97.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 30 Ų | 30 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -150.1 | 156.3 | 174.8 | 68 | 68.4 | 0 | 0 | 0 | 110.7 | Q226 G230 S231 I232 L268 | Q226-N228 WeakPolarHBondContact CB-ND2 3.32Å; Q226-N228 PolarHBondContact O-N 3.44Å; N228-G230 PolarHBondContact O-N 3.44Å; N228-G230 PolarHBondContact OD1-N 3.34Å; N228-S231 PolarHBondContact O-N 3.02Å; N228-S231 PolarHBondContact OD1-N 3.36Å; N228-I232 PolarHBondContact O-N 2.74Å; N228-L268 VanDerWaalsContact C-CD2 3.45Å |
| 229 | W | 97.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | -173.7 | 179.7 | -125.1 | 0 | 0 | 0 | 114.1 | S231 I232 I233 L268 Q272 V275 V353 | W229-S231 VanDerWaalsContact C-N 3.26Å; W229-S231 PolarHBondContact O-N 2.85Å; W229-I232 HydrophobicContact CE3-CB 4.15Å; W229-I232 HydrophobicContact CE3-CG2 4.37Å; W229-I232 HydrophobicContact CZ3-CB 4.38Å; W229-I232 HydrophobicContact CZ3-CG2 4.11Å; W229-I232 PolarHBondContact O-N 2.83Å; W229-I232 VanDerWaalsContact O-N 3.13Å; W229-I233 HydrophobicContact CD2-CB 4.44Å; W229-I233 HydrophobicContact CH2-CB 4.45Å; W229-I233 HydrophobicContact CH2-CD1 4.08Å; W229-I233 HydrophobicContact CZ2-CB 4.08Å; W229-I233 HydrophobicContact CZ2-CD1 3.92Å; W229-I233 HydrophobicContact CZ2-CG1 4.14Å; W229-I233 WeakPolarHBondContact O-CG2 3.28Å; W229-I233 PolarHBondContact O-N 2.02Å; W229-L268 HydrophobicContact CB-CD2 4.44Å; W229-Q272 HydrophobicContact CD2-CB 4.43Å; W229-Q272 HydrophobicContact CD2-CG 3.73Å; W229-Q272 HydrophobicContact CE3-CB 3.66Å; W229-Q272 HydrophobicContact CE3-CG 3.44Å; W229-Q272 VanDerWaalsContact CE3-CG 3.44Å; W229-Q272 HydrophobicContact CG-CG 4.22Å; W229-Q272 HydrophobicContact CH2-CG 4.44Å; W229-Q272 HydrophobicContact CZ3-CB 3.9Å; W229-Q272 HydrophobicContact CZ3-CG 3.84Å; W229-V275 HydrophobicContact CH2-CB 3.97Å; W229-V275 HydrophobicContact CH2-CG1 3.79Å; W229-V275 HydrophobicContact CH2-CG2 3.92Å; W229-V275 HydrophobicContact CZ3-CB 3.91Å; W229-V275 HydrophobicContact CZ3-CG1 3.96Å; W229-V275 HydrophobicContact CZ3-CG2 4.25Å; W229-V353 VanDerWaalsContact NE1-CG1 3.28Å |
| 230 | G | 97.9 | Very high | 97.2 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 45% | 0.454 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.8 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N228 S234 | N228-G230 PolarHBondContact O-N 3.44Å; N228-G230 PolarHBondContact OD1-N 3.34Å; G230-S234 WeakPolarHBondContact O-CB 3.45Å; G230-S234 PolarHBondContact O-N 3.46Å |
| 231 | S | 98.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -46.7 | 175.3 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | Q226 N228 W229 S234 I235 | Q226-S231 PolarHBondContact N-OG 2.81Å; N228-S231 PolarHBondContact O-N 3.02Å; N228-S231 PolarHBondContact OD1-N 3.36Å; W229-S231 VanDerWaalsContact C-N 3.26Å; W229-S231 PolarHBondContact O-N 2.85Å; S231-S234 PolarHBondContact O-N 3.44Å; S231-I235 WeakPolarHBondContact O-CG1 3.28Å; S231-I235 PolarHBondContact O-N 2.85Å; S231-I235 VanDerWaalsContact O-N 3.13Å |
| 232 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -50.2 | -177.7 | -58.3 | -47.9 | 0 | 0 | 0 | 110.5 | V225 N228 W229 S234 I235 I236 V262 L268 H276 W280 | V225-I232 HydrophobicContact CG2-CD1 3.69Å; N228-I232 PolarHBondContact O-N 2.74Å; W229-I232 HydrophobicContact CE3-CB 4.15Å; W229-I232 HydrophobicContact CE3-CG2 4.37Å; W229-I232 HydrophobicContact CZ3-CB 4.38Å; W229-I232 HydrophobicContact CZ3-CG2 4.11Å; W229-I232 PolarHBondContact O-N 2.83Å; W229-I232 VanDerWaalsContact O-N 3.13Å; I232-S234 VanDerWaalsContact C-N 3.32Å; I232-S234 PolarHBondContact O-N 2.79Å; I232-I235 PolarHBondContact O-N 2.85Å; I232-I236 HydrophobicContact CG2-CD1 4.03Å; I232-I236 PolarHBondContact O-N 3.16Å; I232-I236 VanDerWaalsContact O-N 3.15Å; I232-V262 HydrophobicContact CD1-CG2 4.28Å; I232-L268 HydrophobicContact CG1-CD1 4.1Å; I232-L268 HydrophobicContact CG1-CD2 4.06Å; I232-H276 HydrophobicContact CG2-CB 3.97Å; I232-W280 HydrophobicContact CG2-CZ3 4.31Å |
| 233 | I | 98.2 | Very high | 97.4 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.1 | -31.5 | -178.3 | -160.7 | 61.6 | 0 | 0 | 0 | 112 | W229 I235 I236 N237 | W229-I233 HydrophobicContact CD2-CB 4.44Å; W229-I233 HydrophobicContact CH2-CB 4.45Å; W229-I233 HydrophobicContact CH2-CD1 4.08Å; W229-I233 HydrophobicContact CZ2-CB 4.08Å; W229-I233 HydrophobicContact CZ2-CD1 3.92Å; W229-I233 HydrophobicContact CZ2-CG1 4.14Å; W229-I233 WeakPolarHBondContact O-CG2 3.28Å; W229-I233 PolarHBondContact O-N 2.02Å; I233-I235 VanDerWaalsContact C-N 3.34Å; I233-I236 HydrophobicContact CD1-CD1 4.41Å; I233-I236 PolarHBondContact O-N 2.81Å; I233-N237 VanDerWaalsContact O-CB 3.31Å; I233-N237 WeakPolarHBondContact O-CB 3.13Å; I233-N237 PolarHBondContact O-N 3.17Å; I233-N237 PolarHBondContact O-ND2 3.21Å |
| 234 | S | 98.2 | Very high | 97.6 | Very high | 79 Ų | 79 | 37.3 Ų | 37.3 | 55% | 0.552 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.9 | -38.9 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | G230 S231 I232 N237 G238 | G230-S234 WeakPolarHBondContact O-CB 3.45Å; G230-S234 PolarHBondContact O-N 3.46Å; S231-S234 PolarHBondContact O-N 3.44Å; I232-S234 VanDerWaalsContact C-N 3.32Å; I232-S234 PolarHBondContact O-N 2.79Å; S234-N237 PolarHBondContact O-N 2.81Å; S234-G238 PolarHBondContact O-N 2.99Å |
| 235 | I | 98.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 176.6 | -67.7 | 162.2 | 0 | 0 | 0 | 110.2 | V225 S231 I232 I233 N237 G238 Y239 P258 W280 | V225-I235 HydrophobicContact CB-CD1 4.03Å; V225-I235 HydrophobicContact CG2-CD1 3.88Å; S231-I235 WeakPolarHBondContact O-CG1 3.28Å; S231-I235 PolarHBondContact O-N 2.85Å; S231-I235 VanDerWaalsContact O-N 3.13Å; I232-I235 PolarHBondContact O-N 2.85Å; I233-I235 VanDerWaalsContact C-N 3.34Å; I235-N237 VanDerWaalsContact C-N 3.28Å; I235-N237 PolarHBondContact O-N 3Å; I235-G238 WeakPolarHBondContact O-CA 3.27Å; I235-G238 PolarHBondContact O-N 3.08Å; I235-Y239 HydrophobicContact CG2-CD2 4.26Å; I235-Y239 HydrophobicContact CG2-CE2 4.18Å; I235-Y239 WeakPolarHBondContact O-CD2 3.44Å; I235-Y239 PolarHBondContact O-N 3.34Å; I235-Y239 VanDerWaalsContact O-N 3.07Å; I235-P258 HydrophobicContact CG2-CB 3.65Å; I235-W280 HydrophobicContact CB-CH2 3.97Å; I235-W280 HydrophobicContact CD1-CH2 3.88Å; I235-W280 HydrophobicContact CD1-CZ2 4.17Å; I235-W280 HydrophobicContact CG2-CH2 3.63Å; I235-W280 HydrophobicContact CG2-CZ2 4.18Å; I235-W280 HydrophobicContact CG2-CZ3 4.31Å |
| 236 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 176.6 | -66.8 | 163.4 | 0 | 0 | 0 | 111 | I232 I233 G238 Y239 K240 V275 M279 W280 F283 W333 I349 | I232-I236 HydrophobicContact CG2-CD1 4.03Å; I232-I236 PolarHBondContact O-N 3.16Å; I232-I236 VanDerWaalsContact O-N 3.15Å; I233-I236 HydrophobicContact CD1-CD1 4.41Å; I233-I236 PolarHBondContact O-N 2.81Å; I236-G238 VanDerWaalsContact C-N 3.29Å; I236-G238 PolarHBondContact O-N 3.23Å; I236-Y239 WeakPolarHBondContact O-CB 3.48Å; I236-Y239 PolarHBondContact O-N 2.74Å; I236-K240 PolarHBondContact O-N 2.82Å; I236-V275 HydrophobicContact CD1-CG1 3.5Å; I236-V275 VanDerWaalsContact CD1-CG1 3.5Å; I236-M279 HydrophobicContact CD1-CB 3.93Å; I236-M279 HydrophobicContact CD1-CG 3.77Å; I236-M279 HydrophobicContact CG1-CB 3.97Å; I236-M279 HydrophobicContact CG1-CG 4.13Å; I236-W280 HydrophobicContact CG1-CZ3 4.35Å; I236-F283 HydrophobicContact CB-CZ 4.48Å; I236-F283 HydrophobicContact CG1-CE2 4.12Å; I236-F283 HydrophobicContact CG1-CZ 4.26Å; I236-F283 HydrophobicContact CG2-CZ 4.34Å; I236-W333 HydrophobicContact CG2-CZ2 3.92Å; I236-I349 HydrophobicContact CG2-CD1 4.07Å |
| 237 | N | 98.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 32.1 Ų | 32.1 | 35% | 0.353 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.8 | -30.3 | 176.9 | -73.6 | -24.8 | 0 | 0 | 0 | 112.7 | I233 S234 I235 K240 L241 Q331 | I233-N237 VanDerWaalsContact O-CB 3.31Å; I233-N237 WeakPolarHBondContact O-CB 3.13Å; I233-N237 PolarHBondContact O-N 3.17Å; I233-N237 PolarHBondContact O-ND2 3.21Å; S234-N237 PolarHBondContact O-N 2.81Å; I235-N237 VanDerWaalsContact C-N 3.28Å; I235-N237 PolarHBondContact O-N 3Å; N237-K240 PolarHBondContact O-N 3.18Å; N237-L241 VanDerWaalsContact O-CB 3.26Å; N237-L241 WeakPolarHBondContact O-CB 3.18Å; N237-L241 PolarHBondContact O-N 3.44Å; N237-Q331 PolarHBondContact OD1-NE2 3.02Å |
| 238 | G | 98.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S234 I235 I236 K240 L241 R242 | S234-G238 PolarHBondContact O-N 2.99Å; I235-G238 WeakPolarHBondContact O-CA 3.27Å; I235-G238 PolarHBondContact O-N 3.08Å; I236-G238 VanDerWaalsContact C-N 3.29Å; I236-G238 PolarHBondContact O-N 3.23Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 2.83Å; G238-L241 PolarHBondContact O-N 3.32Å; G238-R242 PolarHBondContact O-N 2.98Å; G238-R242 VanDerWaalsContact O-N 3.07Å |
| 239 | Y | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 173.6 | -85.1 | -110.7 | 0 | 0 | 0 | 112 | V221 I235 I236 L241 R242 N243 L246 N256 P258 F283 | V221-Y239 HydrophobicContact CG2-CE2 3.45Å; V221-Y239 VanDerWaalsContact CG2-CE2 3.45Å; V221-Y239 WeakPolarHBondContact CG2-OH 3.38Å; I235-Y239 HydrophobicContact CG2-CD2 4.26Å; I235-Y239 HydrophobicContact CG2-CE2 4.18Å; I235-Y239 WeakPolarHBondContact O-CD2 3.44Å; I235-Y239 PolarHBondContact O-N 3.34Å; I235-Y239 VanDerWaalsContact O-N 3.07Å; I236-Y239 WeakPolarHBondContact O-CB 3.48Å; I236-Y239 PolarHBondContact O-N 2.74Å; Y239-L241 VanDerWaalsContact C-N 3.35Å; Y239-L241 PolarHBondContact O-N 2.9Å; Y239-R242 CarbonylContact O-C 3.58Å; Y239-R242 PolarHBondContact O-N 2.64Å; Y239-N243 PolarHBondContact O-N 2.8Å; Y239-L246 HydrophobicContact CD1-CD1 3.72Å; Y239-L246 HydrophobicContact CD2-CD1 4.24Å; Y239-L246 HydrophobicContact CE1-CD1 4.05Å; Y239-L246 HydrophobicContact CG-CD1 3.83Å; Y239-N256 HydrophobicContact CE1-CB 4.14Å; Y239-N256 WeakPolarHBondContact OH-CB 3.46Å; Y239-N256 PolarHBondContact OH-O 3.23Å; Y239-P258 HydrophobicContact CE2-CB 3.72Å; Y239-P258 WeakPolarHBondContact OH-CB 3.43Å; Y239-P258 VanDerWaalsContact OH-CD 3.27Å; Y239-P258 WeakPolarHBondContact OH-CD 3.4Å; Y239-F283 HydrophobicContact CD1-CB 4.22Å; Y239-F283 AromaticContact CD1-CD1 3.56Å; Y239-F283 HydrophobicContact CD1-CD1 3.56Å; Y239-F283 AromaticContact CD1-CD2 3.86Å; Y239-F283 HydrophobicContact CD1-CD2 3.86Å; Y239-F283 AromaticContact CD1-CE1 3.8Å; Y239-F283 HydrophobicContact CD1-CE1 3.8Å; Y239-F283 HydrophobicContact CD1-CE2 4.08Å; Y239-F283 AromaticContact CD1-CG 3.6Å; Y239-F283 HydrophobicContact CD1-CG 3.6Å; Y239-F283 HydrophobicContact CD1-CZ 4.05Å; Y239-F283 HydrophobicContact CD2-CD2 4.31Å; Y239-F283 HydrophobicContact CD2-CE2 4.09Å; Y239-F283 HydrophobicContact CD2-CZ 4.43Å; Y239-F283 HydrophobicContact CE1-CB 3.78Å; Y239-F283 HydrophobicContact CE1-CD1 4.04Å; Y239-F283 AromaticContact CE1-CD2 3.89Å; Y239-F283 HydrophobicContact CE1-CD2 3.89Å; Y239-F283 HydrophobicContact CE1-CE2 4.5Å; Y239-F283 AromaticContact CE1-CG 3.64Å; Y239-F283 HydrophobicContact CE1-CG 3.64Å; Y239-F283 HydrophobicContact CE2-CD2 4.34Å; Y239-F283 HydrophobicContact CG-CD1 4.18Å; Y239-F283 HydrophobicContact CG-CD2 4.07Å; Y239-F283 AromaticContact CG-CE1 3.97Å; Y239-F283 HydrophobicContact CG-CE1 3.97Å; Y239-F283 AromaticContact CG-CE2 3.85Å; Y239-F283 HydrophobicContact CG-CE2 3.85Å; Y239-F283 HydrophobicContact CG-CG 4.24Å; Y239-F283 AromaticContact CG-CZ 3.8Å; Y239-F283 HydrophobicContact CG-CZ 3.8Å |
| 240 | K | 98.2 | Very high | 97.9 | Very high | 66 Ų | 66 | 32.9 Ų | 32.9 | 29% | 0.287 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61 | -44.2 | 175.2 | 170.4 | 176.9 | 167.7 | 176.9 | 0 | 111.5 | I236 N237 G238 R242 N243 F323 S326 W333 | I236-K240 PolarHBondContact O-N 2.82Å; N237-K240 PolarHBondContact O-N 3.18Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-K240 PolarHBondContact O-N 2.83Å; K240-R242 VanDerWaalsContact C-N 3.28Å; K240-R242 PolarHBondContact O-N 2.99Å; K240-N243 WeakPolarHBondContact O-CB 3.01Å; K240-N243 PolarHBondContact O-N 2.87Å; K240-F323 HydrophobicContact CB-CD2 4.41Å; K240-F323 HydrophobicContact CB-CG 4.42Å; K240-F323 HydrophobicContact CD-CD2 3.89Å; K240-F323 HydrophobicContact CD-CE1 4.31Å; K240-F323 HydrophobicContact CD-CE2 3.62Å; K240-F323 HydrophobicContact CD-CG 4.35Å; K240-F323 HydrophobicContact CD-CZ 3.84Å; K240-F323 HydrophobicContact CG-CB 4.43Å; K240-F323 HydrophobicContact CG-CD1 3.99Å; K240-F323 HydrophobicContact CG-CD2 3.82Å; K240-F323 HydrophobicContact CG-CE1 4.17Å; K240-F323 HydrophobicContact CG-CE2 4.01Å; K240-F323 HydrophobicContact CG-CG 3.8Å; K240-F323 HydrophobicContact CG-CZ 4.17Å; K240-S326 PolarHBondContact NZ-OG 3.44Å; K240-W333 HydrophobicContact CB-CH2 3.75Å; K240-W333 HydrophobicContact CB-CZ2 3.87Å |
| 241 | L | 97.8 | Very high | 97.8 | Very high | 95 Ų | 95 | 31 Ų | 31 | 50% | 0.497 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.1 | -26.8 | -178.5 | 177.1 | 60 | 0 | 0 | 0 | 112.9 | L201 N237 G238 Y239 | L201-L241 HydrophobicContact CD1-CD2 4.18Å; L201-L241 HydrophobicContact CD2-CD2 4.29Å; L201-L241 HydrophobicContact CG-CD2 3.88Å; N237-L241 VanDerWaalsContact O-CB 3.26Å; N237-L241 WeakPolarHBondContact O-CB 3.18Å; N237-L241 PolarHBondContact O-N 3.44Å; G238-L241 PolarHBondContact O-N 3.32Å; Y239-L241 VanDerWaalsContact C-N 3.35Å; Y239-L241 PolarHBondContact O-N 2.9Å |
| 242 | R | 97.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 32 Ų | 32 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 32 | 178.8 | -68.4 | -70.5 | -177.6 | -96.5 | 13.9 | 113.2 | W200 L201 S202 G238 Y239 K240 D244 V245 L246 | W200-R242 HydrophobicContact CE3-CG 4.25Å; W200-R242 HydrophobicContact CH2-CB 3.99Å; W200-R242 HydrophobicContact CH2-CG 3.93Å; W200-R242 HydrophobicContact CZ3-CB 3.75Å; W200-R242 HydrophobicContact CZ3-CG 3.45Å; W200-R242 VanDerWaalsContact CZ3-CG 3.45Å; W200-R242 PolarHBondContact O-NE 3.14Å; L201-R242 HydrophobicContact CD1-CG 3.69Å; L201-R242 PolarHBondContact O-NE 3.49Å; L201-R242 PolarHBondContact O-NH1 2.86Å; L201-R242 PolarHBondContact O-NH2 2.98Å; S202-R242 PolarHBondContact O-NH2 3.46Å; G238-R242 PolarHBondContact O-N 2.98Å; G238-R242 VanDerWaalsContact O-N 3.07Å; Y239-R242 CarbonylContact O-C 3.58Å; Y239-R242 PolarHBondContact O-N 2.64Å; K240-R242 VanDerWaalsContact C-N 3.28Å; K240-R242 PolarHBondContact O-N 2.99Å; R242-D244 VanDerWaalsContact C-OD1 3.28Å; R242-D244 VanDerWaalsContact CA-OD1 3.28Å; R242-D244 WeakPolarHBondContact CA-OD1 3.31Å; R242-D244 PolarHBondContact O-N 3.23Å; R242-V245 PolarHBondContact O-N 3.13Å; R242-L246 HydrophobicContact CB-CD1 4.1Å; R242-L246 HydrophobicContact CB-CG 4.09Å; R242-L246 PolarHBondContact O-N 3.08Å |
| 243 | N | 97.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.7 | 174.9 | -170.9 | 67.7 | 0 | 0 | 0 | 112.9 | Y239 K240 V245 P247 E322 F323 | Y239-N243 PolarHBondContact O-N 2.8Å; K240-N243 WeakPolarHBondContact O-CB 3.01Å; K240-N243 PolarHBondContact O-N 2.87Å; N243-V245 VanDerWaalsContact C-N 3.31Å; N243-P247 VanDerWaalsContact O-CD 3.26Å; N243-P247 WeakPolarHBondContact O-CD 3.11Å; N243-P247 WeakPolarHBondContact O-CG 3.29Å; N243-E322 VanDerWaalsContact OD1-CA 3.24Å; N243-E322 WeakPolarHBondContact OD1-CA 3.42Å; N243-F323 HydrophobicContact CB-CB 4.18Å; N243-F323 PolarHBondContact ND2-O 3.13Å; N243-F323 PolarHBondContact OD1-N 2.84Å |
| 244 | D | 96.6 | Very high | 97.6 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 35% | 0.348 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -18.5 | 175.1 | 61.1 | -44 | 0 | 0 | 0 | 113.9 | H204 R242 K248 | H204-D244 IonicContact CD2-OD2 2.82Å; R242-D244 VanDerWaalsContact C-OD1 3.28Å; R242-D244 VanDerWaalsContact CA-OD1 3.28Å; R242-D244 WeakPolarHBondContact CA-OD1 3.31Å; R242-D244 PolarHBondContact O-N 3.23Å; D244-K248 WeakPolarHBondContact O-CD 3.25Å; D244-K248 WeakPolarHBondContact O-CE 3.42Å; D244-K248 PolarHBondContact O-NZ 3.14Å |
| 245 | V | 97.7 | Very high | 97.6 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -58.5 | -175.6 | 179.8 | 0 | 0 | 0 | 0 | 112 | H204 W209 R242 N243 K248 V249 | H204-V245 HydrophobicContact CB-CG2 3.94Å; W209-V245 HydrophobicContact CD2-CG1 3.96Å; W209-V245 HydrophobicContact CG-CG1 4.16Å; W209-V245 HydrophobicContact CZ2-CG1 4.17Å; R242-V245 PolarHBondContact O-N 3.13Å; N243-V245 VanDerWaalsContact C-N 3.31Å; V245-K248 WeakPolarHBondContact O-CB 3.45Å; V245-K248 PolarHBondContact O-N 3.02Å; V245-V249 HydrophobicContact CG1-CG1 4.24Å; V245-V249 HydrophobicContact CG1-CG2 4.44Å; V245-V249 PolarHBondContact O-N 3.3Å |
| 246 | L | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | -164.4 | -63.2 | 174.5 | 0 | 0 | 0 | 114.3 | W200 W209 V221 Y239 R242 K248 V249 A250 N256 | W200-L246 HydrophobicContact CH2-CD1 4.17Å; W200-L246 HydrophobicContact CH2-CD2 3.78Å; W200-L246 HydrophobicContact CH2-CG 4.2Å; W200-L246 HydrophobicContact CZ3-CD2 4.23Å; W209-L246 HydrophobicContact CH2-CD2 4.16Å; W209-L246 HydrophobicContact CZ3-CD2 4.23Å; V221-L246 HydrophobicContact CB-CD2 4.49Å; V221-L246 HydrophobicContact CG1-CD2 3.9Å; Y239-L246 HydrophobicContact CD1-CD1 3.72Å; Y239-L246 HydrophobicContact CD2-CD1 4.24Å; Y239-L246 HydrophobicContact CE1-CD1 4.05Å; Y239-L246 HydrophobicContact CG-CD1 3.83Å; R242-L246 HydrophobicContact CB-CD1 4.1Å; R242-L246 HydrophobicContact CB-CG 4.09Å; R242-L246 PolarHBondContact O-N 3.08Å; L246-K248 PolarHBondContact O-N 3.18Å; L246-V249 WeakPolarHBondContact O-CG2 3.2Å; L246-V249 PolarHBondContact O-N 3.37Å; L246-A250 PolarHBondContact O-N 3.11Å; L246-N256 WeakPolarHBondContact CD2-OD1 3.32Å; L246-N256 PolarHBondContact O-ND2 3.12Å |
| 247 | P | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -22.3 | 177.8 | -22.5 | 35.7 | 0 | 0 | 0 | 114.5 | N243 E322 M371 | N243-P247 VanDerWaalsContact O-CD 3.26Å; N243-P247 WeakPolarHBondContact O-CD 3.11Å; N243-P247 WeakPolarHBondContact O-CG 3.29Å; P247-E322 HydrophobicContact CB-CG 3.9Å; P247-E322 HydrophobicContact CG-CG 3.82Å; P247-M371 HydrophobicContact CB-SD 4.11Å |
| 248 | K | 97 | Very high | 97.7 | Very high | 116 Ų | 116 | 26.2 Ų | 26.2 | 50% | 0.504 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -87 | -24 | -178.5 | -61.2 | 173.1 | -174.6 | 159 | 0 | 113 | D244 V245 L246 M371 | D244-K248 WeakPolarHBondContact O-CD 3.25Å; D244-K248 WeakPolarHBondContact O-CE 3.42Å; D244-K248 PolarHBondContact O-NZ 3.14Å; V245-K248 WeakPolarHBondContact O-CB 3.45Å; V245-K248 PolarHBondContact O-N 3.02Å; L246-K248 PolarHBondContact O-N 3.18Å; K248-M371 HydrophobicContact CG-SD 3.8Å |
| 249 | V | 97.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 26 Ų | 26 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -100.8 | -18 | -175.1 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | W209 Q213 W219 V245 L246 H254 | W209-V249 HydrophobicContact CB-CB 4.34Å; W209-V249 HydrophobicContact CB-CG1 3.65Å; W209-V249 HydrophobicContact CD2-CG1 4.49Å; W209-V249 HydrophobicContact CD2-CG2 4.49Å; W209-V249 HydrophobicContact CE3-CG2 4Å; W209-V249 HydrophobicContact CG-CG1 4.06Å; Q213-V249 PolarHBondContact NE2-O 2.99Å; W219-V249 WeakPolarHBondContact CH2-O 3.49Å; W219-V249 HydrophobicContact CZ2-CB 4.11Å; W219-V249 HydrophobicContact CZ2-CG2 3.96Å; V245-V249 HydrophobicContact CG1-CG1 4.24Å; V245-V249 HydrophobicContact CG1-CG2 4.44Å; V245-V249 PolarHBondContact O-N 3.3Å; L246-V249 WeakPolarHBondContact O-CG2 3.2Å; L246-V249 PolarHBondContact O-N 3.37Å; V249-H254 PolarHBondContact O-ND1 2.64Å |
| 250 | A | 97.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | trans | -85.6 | 146.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L246 H254 N256 Q320 | L246-A250 PolarHBondContact O-N 3.11Å; A250-H254 CarbonylContact C-O 3.58Å; A250-H254 VanDerWaalsContact CA-O 3.26Å; A250-H254 WeakPolarHBondContact CA-O 3.15Å; A250-N256 VanDerWaalsContact CB-ND2 3.32Å; A250-N256 WeakPolarHBondContact CB-ND2 3.46Å; A250-Q320 HydrophobicContact CB-CB 4.04Å | ||
| 251 | G | 96.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | 168.2 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G253 H254 W255 | G251-G253 PolarHBondContact O-N 3.25Å; G251-H254 WeakPolarHBondContact CA-CE1 3.49Å; G251-H254 PolarHBondContact N-CE1 3.23Å; G251-H254 PolarHBondContact N-ND1 3.45Å; G251-H254 VanDerWaalsContact N-ND1 3.12Å; G251-H254 PolarHBondContact N-O 3.16Å; G251-H254 CarbonylContact O-C 3.42Å; G251-H254 PolarHBondContact O-N 2.03Å; G251-W255 WeakPolarHBondContact O-CZ2 3.41Å |
| 252 | P | 96.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 18.2 Ų | 18.2 | 27% | 0.273 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 113.5 | -176.6 | -29.5 | 37.5 | 0 | 0 | 0 | 113.7 | H254 | P252-H254 PolarHBondContact O-CD2 3.21Å; P252-H254 VanDerWaalsContact O-CD2 3.3Å |
| 253 | G | 97.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 17 Ų | 17 | 9% | 0.093 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | A27 N217 G251 | A27-G253 VanDerWaalsContact O-CA 3.23Å; A27-G253 WeakPolarHBondContact O-CA 3.3Å; A27-G253 PolarHBondContact O-N 3.07Å; N217-G253 CarbonylContact C-O 3.46Å; N217-G253 WeakPolarHBondContact CA-O 3.32Å; N217-G253 PolarHBondContact ND2-O 3.35Å; G251-G253 PolarHBondContact O-N 3.25Å |
| 254 | H | 96.9 | Very high | 97.5 | Very high | 46 Ų | 46 | 16.8 Ų | 16.8 | 21% | 0.213 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -150.9 | 97.6 | -174.1 | 51.6 | 86.3 | 0 | 0 | 0 | 111.6 | Q213 N217 W219 V249 A250 G251 P252 | Q213-H254 HydrophobicContact CG-CB 4.36Å; N217-H254 CarbonylContact O-C 3.6Å; N217-H254 WeakPolarHBondContact O-CA 3.5Å; W219-H254 HydrophobicContact CH2-CB 3.67Å; W219-H254 HydrophobicContact CZ3-CB 3.68Å; V249-H254 PolarHBondContact O-ND1 2.64Å; A250-H254 CarbonylContact C-O 3.58Å; A250-H254 VanDerWaalsContact CA-O 3.26Å; A250-H254 WeakPolarHBondContact CA-O 3.15Å; G251-H254 WeakPolarHBondContact CA-CE1 3.49Å; G251-H254 PolarHBondContact N-CE1 3.23Å; G251-H254 PolarHBondContact N-ND1 3.45Å; G251-H254 VanDerWaalsContact N-ND1 3.12Å; G251-H254 PolarHBondContact N-O 3.16Å; G251-H254 CarbonylContact O-C 3.42Å; G251-H254 PolarHBondContact O-N 2.03Å; P252-H254 PolarHBondContact O-CD2 3.21Å; P252-H254 VanDerWaalsContact O-CD2 3.3Å |
| 255 | W | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.9 | -173 | -37.1 | 81.6 | 0 | 0 | 0 | 114.8 | A27 R28 T29 P30 N217 L218 W219 G251 D257 A284 G318 | A27-W255 PolarHBondContact O-NE1 3.02Å; R28-W255 WeakPolarHBondContact O-CZ2 3.07Å; T29-W255 VanDerWaalsContact C-CZ2 3.46Å; T29-W255 VanDerWaalsContact CA-CZ2 3.42Å; P30-W255 HydrophobicContact CB-CD2 4.27Å; P30-W255 HydrophobicContact CB-CG 4.5Å; P30-W255 HydrophobicContact CG-CD2 3.81Å; P30-W255 HydrophobicContact CG-CE3 3.69Å; P30-W255 HydrophobicContact CG-CH2 4.01Å; P30-W255 HydrophobicContact CG-CZ2 4.15Å; P30-W255 HydrophobicContact CG-CZ3 3.78Å; N217-W255 PolarHBondContact O-N 2.99Å; L218-W255 WeakPolarHBondContact CA-O 3.48Å; L218-W255 HydrophobicContact CD2-CB 3.37Å; L218-W255 HydrophobicContact CD2-CG 3.66Å; W219-W255 PolarHBondContact N-O 3.39Å; G251-W255 WeakPolarHBondContact O-CZ2 3.41Å; W255-D257 PolarHBondContact O-N 2.96Å; W255-A284 HydrophobicContact CE3-CB 3.81Å; W255-A284 HydrophobicContact CZ3-CB 3.65Å; W255-G318 VanDerWaalsContact CH2-CA 3.42Å; W255-G318 VanDerWaalsContact CZ3-O 3.28Å; W255-G318 WeakPolarHBondContact CZ3-O 3.42Å |
| 256 | N | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.6 | 168.3 | -62.8 | -53.1 | 0 | 0 | 0 | 109.2 | W219 V221 Y239 L246 A250 P258 Q320 | W219-N256 PolarHBondContact NE1-OD1 2.86Å; V221-N256 HydrophobicContact CG1-CB 3.99Å; V221-N256 HydrophobicContact CG2-CB 4.33Å; Y239-N256 HydrophobicContact CE1-CB 4.14Å; Y239-N256 WeakPolarHBondContact OH-CB 3.46Å; Y239-N256 PolarHBondContact OH-O 3.23Å; L246-N256 WeakPolarHBondContact CD2-OD1 3.32Å; L246-N256 PolarHBondContact O-ND2 3.12Å; A250-N256 VanDerWaalsContact CB-ND2 3.32Å; A250-N256 WeakPolarHBondContact CB-ND2 3.46Å; N256-P258 VanDerWaalsContact O-CD 3.3Å; N256-P258 WeakPolarHBondContact O-CD 3.44Å; N256-Q320 PolarHBondContact ND2-OE1 3.12Å |
| 257 | D | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 106.6 | -178.9 | -179.4 | 2 | 0 | 0 | 0 | 111 | L191 W219 R220 V221 W255 D259 P286 | L191-D257 HydrophobicContact CD1-CB 4.05Å; L191-D257 WeakPolarHBondContact CD1-OD2 3.46Å; L191-D257 VanDerWaalsContact CD2-OD2 3.28Å; L191-D257 WeakPolarHBondContact CD2-OD2 3.41Å; W219-D257 WeakPolarHBondContact O-CB 3.26Å; W219-D257 PolarHBondContact O-N 2.89Å; R220-D257 WeakPolarHBondContact CA-O 3.37Å; V221-D257 WeakPolarHBondContact CG2-O 3.38Å; V221-D257 PolarHBondContact N-O 3.48Å; W255-D257 PolarHBondContact O-N 2.96Å; D257-D259 PolarHBondContact O-N 3.13Å; D257-D259 VanDerWaalsContact OD1-CA 3.28Å; D257-D259 WeakPolarHBondContact OD1-CA 3.05Å; D257-D259 PolarHBondContact OD1-N 3.36Å; D257-P286 HydrophobicContact CB-CG 3.82Å; D257-P286 WeakPolarHBondContact OD1-CG 3.44Å |
| 258 | P | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -80.7 | 8.3 | 175.8 | 34.3 | -35.1 | 0 | 0 | 0 | 113.8 | S222 I235 Y239 N256 W280 A285 | S222-P258 WeakPolarHBondContact OG-CA 3.36Å; S222-P258 PolarHBondContact OG-O 2.79Å; I235-P258 HydrophobicContact CG2-CB 3.65Å; Y239-P258 HydrophobicContact CE2-CB 3.72Å; Y239-P258 WeakPolarHBondContact OH-CB 3.43Å; Y239-P258 VanDerWaalsContact OH-CD 3.27Å; Y239-P258 WeakPolarHBondContact OH-CD 3.4Å; N256-P258 VanDerWaalsContact O-CD 3.3Å; N256-P258 WeakPolarHBondContact O-CD 3.44Å; P258-W280 HydrophobicContact CB-CH2 4.26Å; P258-W280 HydrophobicContact CB-CZ2 3.67Å; P258-W280 HydrophobicContact CG-CD2 4.02Å; P258-W280 VanDerWaalsContact CG-CE2 3.49Å; P258-W280 HydrophobicContact CG-CG 4.19Å; P258-W280 HydrophobicContact CG-CZ2 3.89Å; P258-A285 VanDerWaalsContact CD-CB 3.46Å; P258-A285 HydrophobicContact CG-CB 3.47Å; P258-A285 VanDerWaalsContact CG-CB 3.47Å | ||
| 259 | D | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | trans | 79.4 | 178.8 | -173.4 | -155.6 | 8.3 | 0 | 0 | 0 | 114.1 | R220 N224 V225 D257 W280 | R220-D259 IonicContact CZ-OD2 2.69Å; R220-D259 IonicContact NH2-OD1 3.13Å; R220-D259 IonicContact NH2-OD2 3.72Å; R220-D259 PolarHBondContact NH2-OD2 3.44Å; N224-D259 VanDerWaalsContact CA-OD2 3.29Å; N224-D259 WeakPolarHBondContact CA-OD2 3.45Å; V225-D259 HydrophobicContact CB-CB 4.03Å; V225-D259 HydrophobicContact CG1-CB 3.98Å; V225-D259 PolarHBondContact N-OD2 2.64Å; D257-D259 PolarHBondContact O-N 3.13Å; D257-D259 VanDerWaalsContact OD1-CA 3.28Å; D257-D259 WeakPolarHBondContact OD1-CA 3.05Å; D257-D259 PolarHBondContact OD1-N 3.36Å; D259-W280 PolarHBondContact O-NE1 3.32Å | ||
| 260 | M | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -62.9 | 159.7 | -166.7 | -63.5 | 158.4 | -77.7 | 0 | 0 | 116.8 | N35 W37 R38 V225 V262 L288 S290 | N35-M260 HydrophobicContact CB-CG 3.93Å; N35-M260 HydrophobicContact CB-SD 3.66Å; N35-M260 PolarHBondContact OD1-SD 2.73Å; N35-M260 VanDerWaalsContact OD1-SD 3.38Å; W37-M260 HydrophobicContact CB-CE 3.66Å; W37-M260 HydrophobicContact CB-SD 3.79Å; W37-M260 HydrophobicContact CG-CE 4.05Å; R38-M260 HydrophobicContact CG-CE 3.82Å; R38-M260 HydrophobicContact CG-SD 4.25Å; V225-M260 HydrophobicContact CG1-CB 4.26Å; V225-M260 HydrophobicContact CG1-CE 4.36Å; V225-M260 WeakPolarHBondContact CG1-O 3.36Å; M260-V262 PolarHBondContact O-N 3.05Å; M260-L288 CarbonylContact C-O 3.55Å; M260-L288 VanDerWaalsContact CA-O 3.32Å; M260-L288 WeakPolarHBondContact CA-O 3.19Å; M260-L288 VanDerWaalsContact CB-O 3.26Å; M260-L288 WeakPolarHBondContact CB-O 3.02Å; M260-L288 HydrophobicContact CG-CB 4.17Å; M260-S290 VanDerWaalsContact SD-CB 3.54Å | ||
| 261 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -80.6 | 106.9 | 165.5 | -65.6 | 171 | 0 | 0 | 0 | 111.2 | L263 M277 W280 L287 L288 I289 S290 L304 | L261-L263 HydrophobicContact CD2-CD1 4.38Å; L261-L263 PolarHBondContact O-N 3.13Å; L261-M277 HydrophobicContact CD1-SD 3.94Å; L261-M277 HydrophobicContact CD2-SD 4.15Å; L261-W280 HydrophobicContact CD2-CB 4.03Å; L261-W280 HydrophobicContact CD2-CD2 4.43Å; L261-W280 HydrophobicContact CD2-CG 3.75Å; L261-L287 HydrophobicContact CD1-CB 3.82Å; L261-L287 HydrophobicContact CD1-CD2 3.94Å; L261-L287 HydrophobicContact CD1-CG 4.41Å; L261-L288 PolarHBondContact N-O 3.43Å; L261-I289 HydrophobicContact CD1-CG1 4.5Å; L261-S290 PolarHBondContact O-N 2.86Å; L261-L304 HydrophobicContact CB-CD2 4.42Å; L261-L304 HydrophobicContact CD1-CD2 3.69Å |
| 262 | V | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | trans | -83.9 | 23.5 | 173.6 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | R38 V225 S227 I232 M260 N265 L268 H276 | R38-V262 HydrophobicContact CB-CG1 4.03Å; R38-V262 HydrophobicContact CG-CG1 3.69Å; V225-V262 HydrophobicContact CG1-CG1 3.98Å; V225-V262 HydrophobicContact CG2-CG1 4.45Å; V225-V262 HydrophobicContact CG2-CG2 4.47Å; S227-V262 WeakPolarHBondContact OG-CB 3.47Å; I232-V262 HydrophobicContact CD1-CG2 4.28Å; M260-V262 PolarHBondContact O-N 3.05Å; V262-N265 WeakPolarHBondContact O-CB 3.36Å; V262-N265 PolarHBondContact O-N 3.14Å; V262-L268 HydrophobicContact CG2-CD1 4.2Å; V262-H276 PolarHBondContact N-NE2 3.43Å | ||
| 263 | L | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 127 | 177.5 | -61.1 | 174.7 | 0 | 0 | 0 | 109.3 | L261 K273 H276 M277 A291 L304 | L261-L263 HydrophobicContact CD2-CD1 4.38Å; L261-L263 PolarHBondContact O-N 3.13Å; L263-K273 HydrophobicContact CD2-CB 3.7Å; L263-K273 HydrophobicContact CD2-CG 3.73Å; L263-H276 HydrophobicContact CD2-CB 4.33Å; L263-M277 HydrophobicContact CD1-CB 3.78Å; L263-M277 HydrophobicContact CD1-CG 4.25Å; L263-M277 HydrophobicContact CD1-SD 3.83Å; L263-A291 WeakPolarHBondContact O-CB 3.49Å; L263-L304 HydrophobicContact CB-CD1 3.99Å; L263-L304 HydrophobicContact CB-CD2 4.16Å; L263-L304 HydrophobicContact CB-CG 4.08Å; L263-L304 HydrophobicContact CD1-CD2 3.71Å; L263-L304 HydrophobicContact CD1-CG 3.99Å; L263-L304 HydrophobicContact CG-CD2 4.48Å |
| 264 | G | 93.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 16% | 0.155 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.1 | -13.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S300 | G264-S300 PolarHBondContact N-OG 3.04Å; G264-S300 VanDerWaalsContact N-OG 3.15Å |
| 265 | N | 94.6 | Very high | 97.3 | Very high | 24 Ų | 24 | 27 Ų | 27 | 13% | 0.128 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -88.8 | 158.6 | 168.4 | -58.1 | -13.7 | 0 | 0 | 0 | 110.3 | S227 V262 S290 A291 | S227-N265 WeakPolarHBondContact OG-CB 3.21Å; S227-N265 PolarHBondContact OG-ND2 3.13Å; V262-N265 WeakPolarHBondContact O-CB 3.36Å; V262-N265 PolarHBondContact O-N 3.14Å; N265-S290 PolarHBondContact ND2-O 2.71Å; N265-S290 PolarHBondContact OD1-O 2.89Å; N265-A291 VanDerWaalsContact OD1-CA 3.32Å; N265-A291 WeakPolarHBondContact OD1-CA 3.42Å; N265-A291 VanDerWaalsContact OD1-CB 3.29Å; N265-A291 WeakPolarHBondContact OD1-CB 3.33Å |
| 266 | N | 91.6 | Very high | 97.3 | Very high | 154 Ų | 154 | 27 Ų | 27 | 82% | 0.824 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -72.8 | 159.4 | 173.2 | -66.3 | -37.5 | 0 | 0 | 0 | 111.7 | S227 | S227-N266 VanDerWaalsContact CB-O 3.28Å; S227-N266 WeakPolarHBondContact CB-O 3.47Å |
| 267 | G | 94.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 27 Ų | 27 | 56% | 0.557 | 16% | 0.157 | S | C | * | . | S | Bend | trans | 110.5 | -4.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S227 | S227-G267 WeakPolarHBondContact O-CA 3.43Š|
| 268 | L | 97.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | trans | -116.9 | 137.3 | 172.4 | -61.8 | 178.4 | 0 | 0 | 0 | 111 | N228 W229 I232 V262 Q272 K273 | N228-L268 VanDerWaalsContact C-CD2 3.45Å; W229-L268 HydrophobicContact CB-CD2 4.44Å; I232-L268 HydrophobicContact CG1-CD1 4.1Å; I232-L268 HydrophobicContact CG1-CD2 4.06Å; V262-L268 HydrophobicContact CG2-CD1 4.2Å; L268-Q272 HydrophobicContact CB-CB 4.17Å; L268-Q272 HydrophobicContact CD2-CB 4.2Å; L268-K273 HydrophobicContact CB-CG 3.84Å; L268-K273 HydrophobicContact CD1-CG 4.49Å | ||
| 269 | S | 97.2 | Very high | 97.4 | Very high | 52 Ų | 52 | 26.8 Ų | 26.8 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | trans | -69.6 | 167.1 | 167.5 | 78.3 | 0 | 0 | 0 | 0 | 111.3 | D271 Q272 K273 | S269-D271 VanDerWaalsContact C-N 3.34Å; S269-D271 PolarHBondContact O-N 2.89Å; S269-Q272 PolarHBondContact O-N 2.86Å; S269-Q272 VanDerWaalsContact OG-CG 3.28Å; S269-Q272 WeakPolarHBondContact OG-CG 3.44Å; S269-Q272 PolarHBondContact OG-N 3.06Å; S269-K273 WeakPolarHBondContact O-CB 3.28Å; S269-K273 VanDerWaalsContact O-CG 3.29Å; S269-K273 WeakPolarHBondContact O-CG 3.49Å; S269-K273 PolarHBondContact O-N 3.13Å | ||
| 270 | N | 97.6 | Very high | 97.4 | Very high | 77 Ų | 77 | 26.5 Ų | 26.5 | 41% | 0.412 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.2 | -38.8 | 178.1 | -76.5 | -4.7 | 0 | 0 | 0 | 113 | K273 R274 F299 | N270-K273 PolarHBondContact O-N 3.15Å; N270-R274 PolarHBondContact O-N 2.89Å; N270-F299 VanDerWaalsContact CA-CE1 3.47Å; N270-F299 HydrophobicContact CB-CD1 3.9Å; N270-F299 HydrophobicContact CB-CD2 4.33Å; N270-F299 HydrophobicContact CB-CE1 3.47Å; N270-F299 VanDerWaalsContact CB-CE1 3.47Å; N270-F299 HydrophobicContact CB-CE2 3.95Å; N270-F299 HydrophobicContact CB-CG 4.3Å; N270-F299 HydrophobicContact CB-CZ 3.49Å; N270-F299 VanDerWaalsContact CB-CZ 3.49Å; N270-F299 VanDerWaalsContact CG-CD1 3.47Å; N270-F299 WeakPolarHBondContact O-CE1 3.47Å; N270-F299 WeakPolarHBondContact O-CZ 3.04Å; N270-F299 WeakPolarHBondContact OD1-CD1 3.18Å |
| 271 | D | 98.1 | Very high | 97.5 | Very high | 42 Ų | 42 | 26.5 Ų | 26.5 | 23% | 0.225 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 173.8 | -69.1 | -70 | 0 | 0 | 0 | 111.6 | S269 K273 R274 V275 N404 S406 | S269-D271 VanDerWaalsContact C-N 3.34Å; S269-D271 PolarHBondContact O-N 2.89Å; D271-K273 PolarHBondContact O-N 3.43Å; D271-R274 WeakPolarHBondContact O-CB 3.43Å; D271-R274 PolarHBondContact O-N 3.08Å; D271-R274 VanDerWaalsContact O-N 3.15Å; D271-V275 WeakPolarHBondContact O-CG2 3.23Å; D271-V275 PolarHBondContact O-N 3.48Å; D271-N404 PolarHBondContact OD1-ND2 3.24Å; D271-S406 CarbonylContact C-O 3.55Å; D271-S406 VanDerWaalsContact C-O 3.3Å |
| 272 | Q | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 26.5 Ų | 26.5 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67 | -36.6 | 177.5 | -67 | 169.1 | -12.6 | 0 | 0 | 112.3 | W229 L268 S269 R274 V275 H276 S406 | W229-Q272 HydrophobicContact CD2-CB 4.43Å; W229-Q272 HydrophobicContact CD2-CG 3.73Å; W229-Q272 HydrophobicContact CE3-CB 3.66Å; W229-Q272 HydrophobicContact CE3-CG 3.44Å; W229-Q272 VanDerWaalsContact CE3-CG 3.44Å; W229-Q272 HydrophobicContact CG-CG 4.22Å; W229-Q272 HydrophobicContact CH2-CG 4.44Å; W229-Q272 HydrophobicContact CZ3-CB 3.9Å; W229-Q272 HydrophobicContact CZ3-CG 3.84Å; L268-Q272 HydrophobicContact CB-CB 4.17Å; L268-Q272 HydrophobicContact CD2-CB 4.2Å; S269-Q272 PolarHBondContact O-N 2.86Å; S269-Q272 VanDerWaalsContact OG-CG 3.28Å; S269-Q272 WeakPolarHBondContact OG-CG 3.44Å; S269-Q272 PolarHBondContact OG-N 3.06Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-V275 PolarHBondContact O-N 2.92Å; Q272-H276 WeakPolarHBondContact O-CB 3.41Å; Q272-H276 PolarHBondContact O-N 3.27Å; Q272-S406 PolarHBondContact N-O 2.64Å |
| 273 | K | 98.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 172.3 | -73.8 | 174.7 | -179.3 | -177.4 | 0 | 111.3 | L263 L268 S269 N270 D271 H276 M277 D297 F299 S300 L303 | L263-K273 HydrophobicContact CD2-CB 3.7Å; L263-K273 HydrophobicContact CD2-CG 3.73Å; L268-K273 HydrophobicContact CB-CG 3.84Å; L268-K273 HydrophobicContact CD1-CG 4.49Å; S269-K273 WeakPolarHBondContact O-CB 3.28Å; S269-K273 VanDerWaalsContact O-CG 3.29Å; S269-K273 WeakPolarHBondContact O-CG 3.49Å; S269-K273 PolarHBondContact O-N 3.13Å; N270-K273 PolarHBondContact O-N 3.15Å; D271-K273 PolarHBondContact O-N 3.43Å; K273-H276 PolarHBondContact O-N 2.84Å; K273-M277 PolarHBondContact O-N 3.11Å; K273-D297 VanDerWaalsContact NZ-CG 3.35Å; K273-D297 IonicContact NZ-OD1 2.87Å; K273-D297 PolarHBondContact NZ-OD1 2.75Å; K273-D297 VanDerWaalsContact NZ-OD1 3.16Å; K273-D297 IonicContact NZ-OD2 2.75Å; K273-D297 PolarHBondContact NZ-OD2 3.08Å; K273-F299 HydrophobicContact CB-CD1 4.36Å; K273-F299 HydrophobicContact CB-CE1 3.95Å; K273-F299 HydrophobicContact CD-CD1 3.82Å; K273-F299 HydrophobicContact CD-CE1 4.2Å; K273-S300 WeakPolarHBondContact CE-OG 3.07Å; K273-S300 PolarHBondContact NZ-OG 2.87Å; K273-S300 VanDerWaalsContact NZ-OG 3.15Å; K273-L303 HydrophobicContact CB-CD1 3.8Å |
| 274 | R | 98.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 26.3 Ų | 26.3 | 26% | 0.264 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 173 | -74.7 | 177.6 | 174.7 | -168.1 | -1.8 | 111.4 | N270 D271 Q272 H276 G278 F299 L303 F385 I408 | N270-R274 PolarHBondContact O-N 2.89Å; D271-R274 WeakPolarHBondContact O-CB 3.43Å; D271-R274 PolarHBondContact O-N 3.08Å; D271-R274 VanDerWaalsContact O-N 3.15Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; R274-H276 VanDerWaalsContact C-N 3.31Å; R274-H276 PolarHBondContact O-N 2.88Å; R274-G278 WeakPolarHBondContact O-CA 3.26Å; R274-G278 PolarHBondContact O-N 3.19Å; R274-F299 HydrophobicContact CG-CE1 4.4Å; R274-F299 HydrophobicContact CG-CZ 3.93Å; R274-L303 HydrophobicContact CG-CD1 4.2Å; R274-L303 HydrophobicContact CG-CD2 3.9Å; R274-F385 HydrophobicContact CB-CD1 4.4Å; R274-F385 HydrophobicContact CB-CE1 3.76Å; R274-F385 HydrophobicContact CB-CZ 3.96Å; R274-F385 HydrophobicContact CG-CD1 3.99Å; R274-F385 HydrophobicContact CG-CE1 3.85Å; R274-F385 HydrophobicContact CG-CZ 4.4Å; R274-I408 HydrophobicContact CB-CG2 3.63Å |
| 275 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 176.3 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | W229 I236 D271 Q272 G278 M279 I349 S406 I408 | W229-V275 HydrophobicContact CH2-CB 3.97Å; W229-V275 HydrophobicContact CH2-CG1 3.79Å; W229-V275 HydrophobicContact CH2-CG2 3.92Å; W229-V275 HydrophobicContact CZ3-CB 3.91Å; W229-V275 HydrophobicContact CZ3-CG1 3.96Å; W229-V275 HydrophobicContact CZ3-CG2 4.25Å; I236-V275 HydrophobicContact CD1-CG1 3.5Å; I236-V275 VanDerWaalsContact CD1-CG1 3.5Å; D271-V275 WeakPolarHBondContact O-CG2 3.23Å; D271-V275 PolarHBondContact O-N 3.48Å; Q272-V275 PolarHBondContact O-N 2.92Å; V275-G278 PolarHBondContact O-N 2.82Å; V275-M279 HydrophobicContact CG1-CG 4.16Å; V275-M279 WeakPolarHBondContact O-CB 3.38Å; V275-M279 WeakPolarHBondContact O-CG 3.38Å; V275-M279 PolarHBondContact O-N 2.94Å; V275-I349 HydrophobicContact CG1-CD1 4.38Å; V275-I349 HydrophobicContact CG1-CG2 4.16Å; V275-I349 HydrophobicContact CG2-CG2 4.2Å; V275-S406 WeakPolarHBondContact CG2-O 3.34Å; V275-I408 HydrophobicContact CB-CB 4.47Å; V275-I408 HydrophobicContact CB-CG2 4.3Å; V275-I408 HydrophobicContact CG2-CB 3.78Å; V275-I408 HydrophobicContact CG2-CG2 3.85Å |
| 276 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.1 | -57.8 | -179.9 | -174 | 30.1 | 0 | 0 | 0 | 111.9 | I232 V262 L263 Q272 K273 R274 G278 W280 | I232-H276 HydrophobicContact CG2-CB 3.97Å; V262-H276 PolarHBondContact N-NE2 3.43Å; L263-H276 HydrophobicContact CD2-CB 4.33Å; Q272-H276 WeakPolarHBondContact O-CB 3.41Å; Q272-H276 PolarHBondContact O-N 3.27Å; K273-H276 PolarHBondContact O-N 2.84Å; R274-H276 VanDerWaalsContact C-N 3.31Å; R274-H276 PolarHBondContact O-N 2.88Å; H276-G278 PolarHBondContact O-N 2.89Å; H276-W280 AromaticContact CE1-CD2 3.67Å; H276-W280 AromaticContact CE1-CE2 3.44Å; H276-W280 VanDerWaalsContact CE1-CE2 3.44Å; H276-W280 AromaticContact CE1-CE3 3.84Å; H276-W280 AromaticContact CE1-CH2 3.67Å; H276-W280 AromaticContact CE1-CZ2 3.47Å; H276-W280 VanDerWaalsContact CE1-CZ2 3.47Å; H276-W280 WeakPolarHBondContact CE1-CZ2 3.32Å; H276-W280 AromaticContact CE1-CZ3 3.85Å; H276-W280 AromaticContact CE1-NE1 3.99Å; H276-W280 AromaticContact ND1-CD2 3.68Å; H276-W280 AromaticContact ND1-CE2 3.87Å; H276-W280 AromaticContact ND1-CE3 3.39Å; H276-W280 AromaticContact ND1-CH2 3.62Å; H276-W280 AromaticContact ND1-CZ2 3.88Å; H276-W280 AromaticContact ND1-CZ3 3.36Å; H276-W280 WeakPolarHBondContact ND1-CZ3 3.26Å; H276-W280 PolarHBondContact O-N 3.04Å |
| 277 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 177.9 | -169.9 | 64.8 | -171.8 | 0 | 0 | 111.7 | L261 L263 K273 M279 W280 C281 L287 L303 L304 L309 L310 | L261-M277 HydrophobicContact CD1-SD 3.94Å; L261-M277 HydrophobicContact CD2-SD 4.15Å; L263-M277 HydrophobicContact CD1-CB 3.78Å; L263-M277 HydrophobicContact CD1-CG 4.25Å; L263-M277 HydrophobicContact CD1-SD 3.83Å; K273-M277 PolarHBondContact O-N 3.11Å; M277-M279 PolarHBondContact O-N 3.1Å; M277-W280 PolarHBondContact O-N 3.37Å; M277-C281 PolarHBondContact O-N 2.59Å; M277-C281 PolarHBondContact O-SG 2.95Å; M277-L287 HydrophobicContact CE-CD1 3.92Å; M277-L303 HydrophobicContact CB-CB 4.25Å; M277-L303 HydrophobicContact CG-CB 4.21Å; M277-L304 HydrophobicContact SD-CD2 4.01Å; M277-L309 HydrophobicContact CB-CD1 4.38Å; M277-L309 HydrophobicContact CG-CD1 3.7Å; M277-L310 HydrophobicContact CE-CD2 3.93Å |
| 278 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R274 V275 H276 C281 M282 M410 | R274-G278 WeakPolarHBondContact O-CA 3.26Å; R274-G278 PolarHBondContact O-N 3.19Å; V275-G278 PolarHBondContact O-N 2.82Å; H276-G278 PolarHBondContact O-N 2.89Å; G278-C281 PolarHBondContact O-N 2.82Å; G278-M282 VanDerWaalsContact O-CG 3.32Å; G278-M282 WeakPolarHBondContact O-CG 3.4Å; G278-M282 PolarHBondContact O-N 3.37Å; G278-M410 WeakPolarHBondContact CA-SD 3.26Å |
| 279 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -74.3 | -34 | 179.9 | -67.6 | -49.1 | -60.7 | 0 | 0 | 113.1 | I236 V275 M277 C281 M282 F283 W333 A347 I349 I408 | I236-M279 HydrophobicContact CD1-CB 3.93Å; I236-M279 HydrophobicContact CD1-CG 3.77Å; I236-M279 HydrophobicContact CG1-CB 3.97Å; I236-M279 HydrophobicContact CG1-CG 4.13Å; V275-M279 HydrophobicContact CG1-CG 4.16Å; V275-M279 WeakPolarHBondContact O-CB 3.38Å; V275-M279 WeakPolarHBondContact O-CG 3.38Å; V275-M279 PolarHBondContact O-N 2.94Å; M277-M279 PolarHBondContact O-N 3.1Å; M279-C281 VanDerWaalsContact C-N 3.31Å; M279-C281 PolarHBondContact O-N 2.65Å; M279-M282 HydrophobicContact CE-CB 4.13Å; M279-M282 CarbonylContact O-C 3.5Å; M279-M282 PolarHBondContact O-N 3.49Å; M279-M282 VanDerWaalsContact O-N 3.16Å; M279-M282 HydrophobicContact SD-CB 4.3Å; M279-M282 HydrophobicContact SD-CG 4.3Å; M279-F283 HydrophobicContact CB-CD2 4.46Å; M279-F283 HydrophobicContact CB-CE2 3.9Å; M279-F283 HydrophobicContact CB-CZ 4.1Å; M279-F283 HydrophobicContact CE-CD1 4.32Å; M279-F283 HydrophobicContact CE-CE1 3.45Å; M279-F283 VanDerWaalsContact CE-CE1 3.45Å; M279-F283 HydrophobicContact CE-CE2 4.37Å; M279-F283 HydrophobicContact CE-CZ 3.48Å; M279-F283 VanDerWaalsContact CE-CZ 3.48Å; M279-F283 WeakPolarHBondContact O-CB 3.31Å; M279-F283 WeakPolarHBondContact O-CD2 3.33Å; M279-F283 WeakPolarHBondContact O-CG 3.09Å; M279-F283 PolarHBondContact O-N 3Å; M279-W333 HydrophobicContact CE-CB 4.46Å; M279-W333 HydrophobicContact CE-CD2 3.61Å; M279-W333 HydrophobicContact CE-CE3 4.08Å; M279-W333 HydrophobicContact CE-CG 3.78Å; M279-W333 HydrophobicContact CE-CZ2 4.22Å; M279-A347 HydrophobicContact SD-CB 4.27Å; M279-I349 HydrophobicContact CE-CD1 4.12Å; M279-I349 HydrophobicContact CG-CD1 3.57Å; M279-I349 HydrophobicContact CG-CG1 4.4Å; M279-I349 HydrophobicContact SD-CD1 3.49Å; M279-I349 WeakPolarHBondContact SD-CD1 3.49Å; M279-I349 HydrophobicContact SD-CG1 4.06Å; M279-I408 HydrophobicContact CG-CD1 4.1Å; M279-I408 HydrophobicContact SD-CD1 3.78Å |
| 280 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 171.1 | -92.7 | -123.2 | 0 | 0 | 0 | 110.8 | I232 I235 I236 P258 D259 L261 H276 M277 M282 F283 A284 A285 L287 | I232-W280 HydrophobicContact CG2-CZ3 4.31Å; I235-W280 HydrophobicContact CB-CH2 3.97Å; I235-W280 HydrophobicContact CD1-CH2 3.88Å; I235-W280 HydrophobicContact CD1-CZ2 4.17Å; I235-W280 HydrophobicContact CG2-CH2 3.63Å; I235-W280 HydrophobicContact CG2-CZ2 4.18Å; I235-W280 HydrophobicContact CG2-CZ3 4.31Å; I236-W280 HydrophobicContact CG1-CZ3 4.35Å; P258-W280 HydrophobicContact CB-CH2 4.26Å; P258-W280 HydrophobicContact CB-CZ2 3.67Å; P258-W280 HydrophobicContact CG-CD2 4.02Å; P258-W280 VanDerWaalsContact CG-CE2 3.49Å; P258-W280 HydrophobicContact CG-CG 4.19Å; P258-W280 HydrophobicContact CG-CZ2 3.89Å; D259-W280 PolarHBondContact O-NE1 3.32Å; L261-W280 HydrophobicContact CD2-CB 4.03Å; L261-W280 HydrophobicContact CD2-CD2 4.43Å; L261-W280 HydrophobicContact CD2-CG 3.75Å; H276-W280 AromaticContact CE1-CD2 3.67Å; H276-W280 AromaticContact CE1-CE2 3.44Å; H276-W280 VanDerWaalsContact CE1-CE2 3.44Å; H276-W280 AromaticContact CE1-CE3 3.84Å; H276-W280 AromaticContact CE1-CH2 3.67Å; H276-W280 AromaticContact CE1-CZ2 3.47Å; H276-W280 VanDerWaalsContact CE1-CZ2 3.47Å; H276-W280 WeakPolarHBondContact CE1-CZ2 3.32Å; H276-W280 AromaticContact CE1-CZ3 3.85Å; H276-W280 AromaticContact CE1-NE1 3.99Å; H276-W280 AromaticContact ND1-CD2 3.68Å; H276-W280 AromaticContact ND1-CE2 3.87Å; H276-W280 AromaticContact ND1-CE3 3.39Å; H276-W280 AromaticContact ND1-CH2 3.62Å; H276-W280 AromaticContact ND1-CZ2 3.88Å; H276-W280 AromaticContact ND1-CZ3 3.36Å; H276-W280 WeakPolarHBondContact ND1-CZ3 3.26Å; H276-W280 PolarHBondContact O-N 3.04Å; M277-W280 PolarHBondContact O-N 3.37Å; W280-M282 PolarHBondContact O-N 3.01Å; W280-F283 PolarHBondContact O-N 3Å; W280-F283 VanDerWaalsContact O-N 3.17Å; W280-A284 PolarHBondContact O-N 3.31Å; W280-A285 HydrophobicContact CB-CB 4.22Å; W280-A285 HydrophobicContact CG-CB 4.17Å; W280-A285 WeakPolarHBondContact O-CB 3.34Å; W280-A285 PolarHBondContact O-N 3.33Å; W280-A285 VanDerWaalsContact O-N 3.1Å; W280-L287 HydrophobicContact CB-CD2 3.97Å |
| 281 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 173.1 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | M277 G278 M279 F283 A284 L309 I312 D313 R335 | M277-C281 PolarHBondContact O-N 2.59Å; M277-C281 PolarHBondContact O-SG 2.95Å; G278-C281 PolarHBondContact O-N 2.82Å; M279-C281 VanDerWaalsContact C-N 3.31Å; M279-C281 PolarHBondContact O-N 2.65Å; C281-F283 VanDerWaalsContact C-N 3.26Å; C281-F283 PolarHBondContact O-N 2.65Å; C281-A284 PolarHBondContact O-N 3.41Å; C281-L309 HydrophobicContact CB-CD2 4.5Å; C281-I312 HydrophobicContact CB-CG2 4.43Å; C281-D313 HydrophobicContact CB-CB 3.97Å; C281-R335 PolarHBondContact O-NH1 2.96Å |
| 282 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -65.8 | -31.2 | 175.3 | -73 | -63.9 | -74.6 | 0 | 0 | 112 | G278 M279 W280 A284 I312 A321 W333 R335 A345 A347 M410 | G278-M282 VanDerWaalsContact O-CG 3.32Å; G278-M282 WeakPolarHBondContact O-CG 3.4Å; G278-M282 PolarHBondContact O-N 3.37Å; M279-M282 HydrophobicContact CE-CB 4.13Å; M279-M282 CarbonylContact O-C 3.5Å; M279-M282 PolarHBondContact O-N 3.49Å; M279-M282 VanDerWaalsContact O-N 3.16Å; M279-M282 HydrophobicContact SD-CB 4.3Å; M279-M282 HydrophobicContact SD-CG 4.3Å; W280-M282 PolarHBondContact O-N 3.01Å; M282-A284 VanDerWaalsContact C-N 3.27Å; M282-A284 PolarHBondContact O-N 3.44Å; M282-I312 HydrophobicContact SD-CG2 4.26Å; M282-A321 HydrophobicContact CB-CB 3.87Å; M282-A321 HydrophobicContact CE-CB 3.84Å; M282-A321 WeakPolarHBondContact O-CB 3.3Å; M282-A321 PolarHBondContact O-N 3.05Å; M282-W333 HydrophobicContact CE-CB 4.25Å; M282-R335 HydrophobicContact CE-CB 3.76Å; M282-R335 WeakPolarHBondContact O-CD 3.47Å; M282-R335 HydrophobicContact SD-CB 4.26Å; M282-A345 HydrophobicContact CE-CB 4.27Å; M282-A345 HydrophobicContact SD-CB 3.71Å; M282-A347 HydrophobicContact CE-CB 4.22Å; M282-A347 HydrophobicContact CG-CB 4.24Å; M282-M410 HydrophobicContact CG-CE 3.63Å; M282-M410 HydrophobicContact SD-CE 3.84Å |
| 283 | F | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -78.7 | -7.2 | 178.9 | -60.4 | -31.6 | 0 | 0 | 0 | 114.4 | I236 Y239 M279 W280 C281 A285 Q320 W333 | I236-F283 HydrophobicContact CB-CZ 4.48Å; I236-F283 HydrophobicContact CG1-CE2 4.12Å; I236-F283 HydrophobicContact CG1-CZ 4.26Å; I236-F283 HydrophobicContact CG2-CZ 4.34Å; Y239-F283 HydrophobicContact CD1-CB 4.22Å; Y239-F283 AromaticContact CD1-CD1 3.56Å; Y239-F283 HydrophobicContact CD1-CD1 3.56Å; Y239-F283 AromaticContact CD1-CD2 3.86Å; Y239-F283 HydrophobicContact CD1-CD2 3.86Å; Y239-F283 AromaticContact CD1-CE1 3.8Å; Y239-F283 HydrophobicContact CD1-CE1 3.8Å; Y239-F283 HydrophobicContact CD1-CE2 4.08Å; Y239-F283 AromaticContact CD1-CG 3.6Å; Y239-F283 HydrophobicContact CD1-CG 3.6Å; Y239-F283 HydrophobicContact CD1-CZ 4.05Å; Y239-F283 HydrophobicContact CD2-CD2 4.31Å; Y239-F283 HydrophobicContact CD2-CE2 4.09Å; Y239-F283 HydrophobicContact CD2-CZ 4.43Å; Y239-F283 HydrophobicContact CE1-CB 3.78Å; Y239-F283 HydrophobicContact CE1-CD1 4.04Å; Y239-F283 AromaticContact CE1-CD2 3.89Å; Y239-F283 HydrophobicContact CE1-CD2 3.89Å; Y239-F283 HydrophobicContact CE1-CE2 4.5Å; Y239-F283 AromaticContact CE1-CG 3.64Å; Y239-F283 HydrophobicContact CE1-CG 3.64Å; Y239-F283 HydrophobicContact CE2-CD2 4.34Å; Y239-F283 HydrophobicContact CG-CD1 4.18Å; Y239-F283 HydrophobicContact CG-CD2 4.07Å; Y239-F283 AromaticContact CG-CE1 3.97Å; Y239-F283 HydrophobicContact CG-CE1 3.97Å; Y239-F283 AromaticContact CG-CE2 3.85Å; Y239-F283 HydrophobicContact CG-CE2 3.85Å; Y239-F283 HydrophobicContact CG-CG 4.24Å; Y239-F283 AromaticContact CG-CZ 3.8Å; Y239-F283 HydrophobicContact CG-CZ 3.8Å; M279-F283 HydrophobicContact CB-CD2 4.46Å; M279-F283 HydrophobicContact CB-CE2 3.9Å; M279-F283 HydrophobicContact CB-CZ 4.1Å; M279-F283 HydrophobicContact CE-CD1 4.32Å; M279-F283 HydrophobicContact CE-CE1 3.45Å; M279-F283 VanDerWaalsContact CE-CE1 3.45Å; M279-F283 HydrophobicContact CE-CE2 4.37Å; M279-F283 HydrophobicContact CE-CZ 3.48Å; M279-F283 VanDerWaalsContact CE-CZ 3.48Å; M279-F283 WeakPolarHBondContact O-CB 3.31Å; M279-F283 WeakPolarHBondContact O-CD2 3.33Å; M279-F283 WeakPolarHBondContact O-CG 3.09Å; M279-F283 PolarHBondContact O-N 3Å; W280-F283 PolarHBondContact O-N 3Å; W280-F283 VanDerWaalsContact O-N 3.17Å; C281-F283 VanDerWaalsContact C-N 3.26Å; C281-F283 PolarHBondContact O-N 2.65Å; F283-A285 HydrophobicContact CB-CB 4.32Å; F283-A285 PolarHBondContact O-N 3.4Å; F283-Q320 WeakPolarHBondContact O-CG 3.44Å; F283-Q320 PolarHBondContact O-OE1 2.96Å; F283-W333 HydrophobicContact CE1-CE3 4.13Å; F283-W333 AromaticContact CE1-CH2 3.95Å; F283-W333 HydrophobicContact CE1-CH2 3.95Å; F283-W333 AromaticContact CE1-CZ3 3.7Å; F283-W333 HydrophobicContact CE1-CZ3 3.7Å; F283-W333 HydrophobicContact CZ-CH2 4.22Å; F283-W333 HydrophobicContact CZ-CZ3 4.42Å |
| 284 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 43.1 | -167 | 0 | 0 | 0 | 0 | 0 | 110.9 | P30 W255 W280 C281 M282 | P30-A284 HydrophobicContact CG-CB 4.01Å; P30-A284 WeakPolarHBondContact CG-O 3.13Å; W255-A284 HydrophobicContact CE3-CB 3.81Å; W255-A284 HydrophobicContact CZ3-CB 3.65Å; W280-A284 PolarHBondContact O-N 3.31Å; C281-A284 PolarHBondContact O-N 3.41Å; M282-A284 VanDerWaalsContact C-N 3.27Å; M282-A284 PolarHBondContact O-N 3.44Å |
| 285 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -80.9 | 150.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111 | P30 P258 W280 F283 L287 | P30-A285 VanDerWaalsContact CB-O 3.28Å; P30-A285 WeakPolarHBondContact CB-O 3.41Å; P258-A285 VanDerWaalsContact CD-CB 3.46Å; P258-A285 HydrophobicContact CG-CB 3.47Å; P258-A285 VanDerWaalsContact CG-CB 3.47Å; W280-A285 HydrophobicContact CB-CB 4.22Å; W280-A285 HydrophobicContact CG-CB 4.17Å; W280-A285 WeakPolarHBondContact O-CB 3.34Å; W280-A285 PolarHBondContact O-N 3.33Å; W280-A285 VanDerWaalsContact O-N 3.1Å; F283-A285 HydrophobicContact CB-CB 4.32Å; F283-A285 PolarHBondContact O-N 3.4Å; A285-L287 PolarHBondContact O-N 3.25Å | ||
| 286 | P | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -56.9 | 127.9 | 165.6 | 26.4 | -34.4 | 0 | 0 | 0 | 110.4 | P31 L218 D257 L288 | P31-P286 CarbonylContact O-C 3.53Å; P31-P286 WeakPolarHBondContact O-CA 3.39Å; P31-P286 WeakPolarHBondContact O-CB 3.31Å; L218-P286 HydrophobicContact CD1-CB 4.41Å; L218-P286 HydrophobicContact CD2-CB 4.49Å; L218-P286 HydrophobicContact CD2-CG 4.31Å; D257-P286 HydrophobicContact CB-CG 3.82Å; D257-P286 WeakPolarHBondContact OD1-CG 3.44Å; P286-L288 HydrophobicContact CB-CG 4.28Å; P286-L288 PolarHBondContact O-N 3.06Å | ||
| 287 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 77.1 | -178.8 | -58.6 | -174.9 | 0 | 0 | 0 | 110.3 | P31 M32 G33 Y76 L261 M277 W280 A285 L310 D313 | P31-L287 PolarHBondContact O-N 3.09Å; M32-L287 WeakPolarHBondContact CA-O 3.2Å; M32-L287 HydrophobicContact CB-CB 4.38Å; M32-L287 HydrophobicContact CE-CD1 4.22Å; M32-L287 HydrophobicContact CG-CB 4.06Å; M32-L287 HydrophobicContact CG-CD1 4.43Å; G33-L287 PolarHBondContact N-O 3.25Å; Y76-L287 HydrophobicContact CE1-CB 4.13Å; Y76-L287 WeakPolarHBondContact CE1-O 3.49Å; L261-L287 HydrophobicContact CD1-CB 3.82Å; L261-L287 HydrophobicContact CD1-CD2 3.94Å; L261-L287 HydrophobicContact CD1-CG 4.41Å; M277-L287 HydrophobicContact CE-CD1 3.92Å; W280-L287 HydrophobicContact CB-CD2 3.97Å; A285-L287 PolarHBondContact O-N 3.25Å; L287-L310 HydrophobicContact CD1-CD2 3.61Å; L287-D313 HydrophobicContact CD1-CB 3.94Å; L287-D313 VanDerWaalsContact CD1-OD2 3.23Å; L287-D313 WeakPolarHBondContact CD1-OD2 3.45Å; L287-D313 WeakPolarHBondContact CG-OD2 3.38Å |
| 288 | L | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 101.8 | -179.6 | -59 | 177.3 | 0 | 0 | 0 | 110.9 | G33 N35 I80 M260 L261 P286 | G33-L288 CarbonylContact O-C 3.56Å; G33-L288 WeakPolarHBondContact O-CA 3.19Å; N35-L288 HydrophobicContact CB-CB 4.41Å; I80-L288 HydrophobicContact CD1-CD1 3.7Å; I80-L288 HydrophobicContact CD1-CD2 3.67Å; I80-L288 HydrophobicContact CD1-CG 4.32Å; M260-L288 CarbonylContact C-O 3.55Å; M260-L288 VanDerWaalsContact CA-O 3.32Å; M260-L288 WeakPolarHBondContact CA-O 3.19Å; M260-L288 VanDerWaalsContact CB-O 3.26Å; M260-L288 WeakPolarHBondContact CB-O 3.02Å; M260-L288 HydrophobicContact CG-CB 4.17Å; L261-L288 PolarHBondContact N-O 3.43Å; P286-L288 HydrophobicContact CB-CG 4.28Å; P286-L288 PolarHBondContact O-N 3.06Å |
| 289 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 137.4 | 176.8 | -59.2 | 166.9 | 0 | 0 | 0 | 110 | G33 W34 N35 W71 Y76 L261 A291 M293 L304 | G33-I289 PolarHBondContact O-N 2.93Å; W34-I289 CarbonylContact C-O 3.56Å; W34-I289 WeakPolarHBondContact CA-O 3.15Å; W34-I289 VanDerWaalsContact CD1-O 3.27Å; N35-I289 PolarHBondContact N-O 3.44Å; W71-I289 HydrophobicContact CE3-CD1 4.22Å; W71-I289 HydrophobicContact CZ3-CD1 4.32Å; Y76-I289 HydrophobicContact CD1-CD1 3.62Å; Y76-I289 HydrophobicContact CD1-CG1 4.04Å; Y76-I289 HydrophobicContact CD2-CD1 4.46Å; Y76-I289 HydrophobicContact CE1-CD1 3.45Å; Y76-I289 VanDerWaalsContact CE1-CD1 3.45Å; Y76-I289 HydrophobicContact CE1-CG1 3.68Å; Y76-I289 HydrophobicContact CE2-CD1 4.31Å; Y76-I289 HydrophobicContact CG-CD1 4.14Å; L261-I289 HydrophobicContact CD1-CG1 4.5Å; I289-A291 HydrophobicContact CG2-CB 4.25Å; I289-M293 HydrophobicContact CD1-CE 4.3Å; I289-M293 HydrophobicContact CG2-SD 3.78Å; I289-L304 HydrophobicContact CD1-CD1 3.99Å; I289-L304 HydrophobicContact CD1-CD2 4.04Å; I289-L304 HydrophobicContact CD1-CG 4.45Å; I289-L304 HydrophobicContact CG1-CD1 4.22Å; I289-L304 HydrophobicContact CG1-CD2 3.78Å; I289-L304 HydrophobicContact CG2-CD1 4.48Å |
| 290 | S | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -136.6 | 83.9 | 170 | -163.6 | 0 | 0 | 0 | 0 | 110.7 | N35 R38 Q39 M260 L261 N265 | N35-S290 WeakPolarHBondContact O-CA 3.27Å; N35-S290 VanDerWaalsContact O-CB 3.23Å; N35-S290 WeakPolarHBondContact O-CB 3.19Å; N35-S290 PolarHBondContact O-OG 3Å; R38-S290 WeakPolarHBondContact CA-OG 3.32Å; R38-S290 WeakPolarHBondContact CB-OG 3.45Å; R38-S290 PolarHBondContact N-OG 2.88Å; Q39-S290 PolarHBondContact N-OG 3.37Å; M260-S290 VanDerWaalsContact SD-CB 3.54Å; L261-S290 PolarHBondContact O-N 2.86Å; N265-S290 PolarHBondContact ND2-O 2.71Å; N265-S290 PolarHBondContact OD1-O 2.89Å | ||
| 291 | A | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -152.4 | 168.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | W34 L263 N265 I289 M293 V296 | W34-A291 PolarHBondContact NE1-O 3.49Å; L263-A291 WeakPolarHBondContact O-CB 3.49Å; N265-A291 VanDerWaalsContact OD1-CA 3.32Å; N265-A291 WeakPolarHBondContact OD1-CA 3.42Å; N265-A291 VanDerWaalsContact OD1-CB 3.29Å; N265-A291 WeakPolarHBondContact OD1-CB 3.33Å; I289-A291 HydrophobicContact CG2-CB 4.25Å; A291-M293 PolarHBondContact O-N 3.17Å; A291-V296 HydrophobicContact CB-CG2 4.3Å |
| 292 | D | 96.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 28.7 Ų | 28.7 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | trans | -72.1 | 107.9 | 171.4 | -172.8 | -9.2 | 0 | 0 | 0 | 109.5 | Q39 N294 N295 V296 | Q39-D292 VanDerWaalsContact CD-CA 3.48Å; Q39-D292 VanDerWaalsContact NE2-CB 3.31Å; D292-N294 PolarHBondContact O-N 2.81Å; D292-N294 WeakPolarHBondContact OD1-CB 3.44Å; D292-N294 PolarHBondContact OD1-N 2.73Å; D292-N294 PolarHBondContact OD1-ND2 2.01Å; D292-N295 HydrophobicContact CB-CB 4.16Å; D292-N295 CarbonylContact O-C 3.46Å; D292-N295 PolarHBondContact O-N 3.09Å; D292-N295 PolarHBondContact OD2-ND2 3.25Å; D292-V296 WeakPolarHBondContact O-CG2 3.38Å; D292-V296 PolarHBondContact O-N 3.3Å; D292-V296 VanDerWaalsContact O-N 3.15Å | ||
| 293 | M | 97.1 | Very high | 97.7 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.7 | -178.4 | -60.1 | -49.7 | -65.8 | 0 | 0 | 113.6 | W34 T62 K65 L66 W71 I289 A291 V296 | W34-M293 VanDerWaalsContact CD1-SD 3.58Å; T62-M293 HydrophobicContact CG2-CB 4.4Å; T62-M293 HydrophobicContact CG2-CG 3.77Å; K65-M293 HydrophobicContact CB-CB 4.01Å; K65-M293 VanDerWaalsContact CE-O 3.3Å; K65-M293 WeakPolarHBondContact CE-O 3.23Å; K65-M293 HydrophobicContact CG-CB 3.7Å; K65-M293 VanDerWaalsContact CG-O 3.31Å; K65-M293 WeakPolarHBondContact CG-O 3.05Å; L66-M293 HydrophobicContact CD2-CE 3.95Å; L66-M293 HydrophobicContact CD2-CG 4.39Å; W71-M293 HydrophobicContact CD2-CE 3.72Å; W71-M293 HydrophobicContact CE3-CE 4.38Å; W71-M293 HydrophobicContact CG-CE 4Å; W71-M293 HydrophobicContact CH2-CE 4.42Å; W71-M293 HydrophobicContact CZ2-CE 3.78Å; I289-M293 HydrophobicContact CD1-CE 4.3Å; I289-M293 HydrophobicContact CG2-SD 3.78Å; A291-M293 PolarHBondContact O-N 3.17Å; M293-V296 HydrophobicContact CE-CG2 4.28Å; M293-V296 HydrophobicContact SD-CG2 4.02Å |
| 294 | N | 94.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 28.9 Ų | 28.9 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -21 | 171.7 | -57.8 | -70.9 | 0 | 0 | 0 | 113.2 | D292 | D292-N294 PolarHBondContact O-N 2.81Å; D292-N294 WeakPolarHBondContact OD1-CB 3.44Å; D292-N294 PolarHBondContact OD1-N 2.73Å; D292-N294 PolarHBondContact OD1-ND2 2.01Å |
| 295 | N | 94.8 | Very high | 97.8 | Very high | 116 Ų | 116 | 32.8 Ų | 32.8 | 62% | 0.62 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -129 | 18.9 | -167.5 | -66.8 | -50.4 | 0 | 0 | 0 | 113.3 | D292 D297 | D292-N295 HydrophobicContact CB-CB 4.16Å; D292-N295 CarbonylContact O-C 3.46Å; D292-N295 PolarHBondContact O-N 3.09Å; D292-N295 PolarHBondContact OD2-ND2 3.25Å; N295-D297 PolarHBondContact O-N 3.43Å |
| 296 | V | 97.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 16% | 0.158 | 18% | 0.175 | C | C | . | . | trans | -64.7 | 119.7 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | A291 D292 M293 A301 L304 | A291-V296 HydrophobicContact CB-CG2 4.3Å; D292-V296 WeakPolarHBondContact O-CG2 3.38Å; D292-V296 PolarHBondContact O-N 3.3Å; D292-V296 VanDerWaalsContact O-N 3.15Å; M293-V296 HydrophobicContact CE-CG2 4.28Å; M293-V296 HydrophobicContact SD-CG2 4.02Å; V296-A301 HydrophobicContact CG1-CB 4.04Å; V296-L304 HydrophobicContact CG1-CD1 4.27Å | ||
| 297 | D | 97.1 | Very high | 97.7 | Very high | 52 Ų | 52 | 41 Ų | 41 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | trans | -63.4 | 152.7 | 178.5 | 71.8 | 91 | 0 | 0 | 0 | 112.7 | K273 N295 F299 S300 A301 | K273-D297 VanDerWaalsContact NZ-CG 3.35Å; K273-D297 IonicContact NZ-OD1 2.87Å; K273-D297 PolarHBondContact NZ-OD1 2.75Å; K273-D297 VanDerWaalsContact NZ-OD1 3.16Å; K273-D297 IonicContact NZ-OD2 2.75Å; K273-D297 PolarHBondContact NZ-OD2 3.08Å; N295-D297 PolarHBondContact O-N 3.43Å; D297-F299 VanDerWaalsContact C-N 3.26Å; D297-F299 PolarHBondContact O-N 2.92Å; D297-F299 WeakPolarHBondContact OD1-CB 3.43Å; D297-F299 PolarHBondContact OD1-N 2.85Å; D297-S300 VanDerWaalsContact CG-OG 3.24Å; D297-S300 PolarHBondContact O-N 2.76Å; D297-S300 PolarHBondContact OD1-N 2.9Å; D297-S300 PolarHBondContact OD1-OG 2.83Å; D297-S300 VanDerWaalsContact OD2-CB 3.28Å; D297-S300 WeakPolarHBondContact OD2-CB 3.5Å; D297-S300 PolarHBondContact OD2-OG 3.42Å; D297-A301 WeakPolarHBondContact O-CB 3.26Å; D297-A301 PolarHBondContact O-N 3.24Å | ||
| 298 | Q | 97.6 | Very high | 97.6 | Very high | 176 Ų | 176 | 43.9 Ų | 43.9 | 82% | 0.822 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.6 | -37 | -174.2 | -171.5 | 179.6 | 22.9 | 0 | 0 | 113 | A301 S302 | Q298-A301 PolarHBondContact O-N 2.78Å; Q298-S302 WeakPolarHBondContact O-CB 3.45Å; Q298-S302 PolarHBondContact O-N 3.27Å |
| 299 | F | 98.2 | Very high | 97.6 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 20% | 0.202 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -48.1 | 179.8 | -175.7 | -91 | 0 | 0 | 0 | 110.9 | N270 K273 R274 D297 A301 S302 L303 | N270-F299 VanDerWaalsContact CA-CE1 3.47Å; N270-F299 HydrophobicContact CB-CD1 3.9Å; N270-F299 HydrophobicContact CB-CD2 4.33Å; N270-F299 HydrophobicContact CB-CE1 3.47Å; N270-F299 VanDerWaalsContact CB-CE1 3.47Å; N270-F299 HydrophobicContact CB-CE2 3.95Å; N270-F299 HydrophobicContact CB-CG 4.3Å; N270-F299 HydrophobicContact CB-CZ 3.49Å; N270-F299 VanDerWaalsContact CB-CZ 3.49Å; N270-F299 VanDerWaalsContact CG-CD1 3.47Å; N270-F299 WeakPolarHBondContact O-CE1 3.47Å; N270-F299 WeakPolarHBondContact O-CZ 3.04Å; N270-F299 WeakPolarHBondContact OD1-CD1 3.18Å; K273-F299 HydrophobicContact CB-CD1 4.36Å; K273-F299 HydrophobicContact CB-CE1 3.95Å; K273-F299 HydrophobicContact CD-CD1 3.82Å; K273-F299 HydrophobicContact CD-CE1 4.2Å; R274-F299 HydrophobicContact CG-CE1 4.4Å; R274-F299 HydrophobicContact CG-CZ 3.93Å; D297-F299 VanDerWaalsContact C-N 3.26Å; D297-F299 PolarHBondContact O-N 2.92Å; D297-F299 WeakPolarHBondContact OD1-CB 3.43Å; D297-F299 PolarHBondContact OD1-N 2.85Å; F299-A301 VanDerWaalsContact C-N 3.31Å; F299-A301 PolarHBondContact O-N 2.87Å; F299-S302 PolarHBondContact O-N 3.33Å; F299-S302 VanDerWaalsContact O-N 3.16Å; F299-S302 PolarHBondContact O-OG 3.5Å; F299-L303 HydrophobicContact CD1-CD1 4.14Å; F299-L303 HydrophobicContact CE1-CD1 3.6Å; F299-L303 HydrophobicContact CE1-CG 4.21Å; F299-L303 HydrophobicContact CZ-CD1 4.27Å; F299-L303 PolarHBondContact O-N 3.46Å |
| 300 | S | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 173.4 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | G264 K273 D297 S302 L303 L304 | G264-S300 PolarHBondContact N-OG 3.04Å; G264-S300 VanDerWaalsContact N-OG 3.15Å; K273-S300 WeakPolarHBondContact CE-OG 3.07Å; K273-S300 PolarHBondContact NZ-OG 2.87Å; K273-S300 VanDerWaalsContact NZ-OG 3.15Å; D297-S300 VanDerWaalsContact CG-OG 3.24Å; D297-S300 PolarHBondContact O-N 2.76Å; D297-S300 PolarHBondContact OD1-N 2.9Å; D297-S300 PolarHBondContact OD1-OG 2.83Å; D297-S300 VanDerWaalsContact OD2-CB 3.28Å; D297-S300 WeakPolarHBondContact OD2-CB 3.5Å; D297-S300 PolarHBondContact OD2-OG 3.42Å; S300-S302 VanDerWaalsContact C-N 3.32Å; S300-S302 PolarHBondContact O-N 2.91Å; S300-L303 PolarHBondContact O-N 3.07Å; S300-L304 WeakPolarHBondContact O-CG 3.41Å; S300-L304 PolarHBondContact O-N 2.87Å |
| 301 | A | 98.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W71 V296 D297 Q298 F299 L303 L304 R305 | W71-A301 HydrophobicContact CH2-CB 3.93Å; W71-A301 HydrophobicContact CZ2-CB 4.39Å; V296-A301 HydrophobicContact CG1-CB 4.04Å; D297-A301 WeakPolarHBondContact O-CB 3.26Å; D297-A301 PolarHBondContact O-N 3.24Å; Q298-A301 PolarHBondContact O-N 2.78Å; F299-A301 VanDerWaalsContact C-N 3.31Å; F299-A301 PolarHBondContact O-N 2.87Å; A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 2.82Å; A301-L304 PolarHBondContact O-N 3.11Å; A301-R305 VanDerWaalsContact O-CB 3.31Å; A301-R305 WeakPolarHBondContact O-CB 3.35Å; A301-R305 WeakPolarHBondContact O-CG 3.34Å; A301-R305 PolarHBondContact O-N 2.83Å |
| 302 | S | 98.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 43% | 0.434 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.9 | 77.6 | 0 | 0 | 0 | 0 | 112.4 | Q298 F299 S300 N306 | Q298-S302 WeakPolarHBondContact O-CB 3.45Å; Q298-S302 PolarHBondContact O-N 3.27Å; F299-S302 PolarHBondContact O-N 3.33Å; F299-S302 VanDerWaalsContact O-N 3.16Å; F299-S302 PolarHBondContact O-OG 3.5Å; S300-S302 VanDerWaalsContact C-N 3.32Å; S300-S302 PolarHBondContact O-N 2.91Å; S302-N306 WeakPolarHBondContact O-CB 3.33Å; S302-N306 PolarHBondContact O-N 2.84Å; S302-N306 VanDerWaalsContact O-N 3.15Å |
| 303 | L | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -48.6 | 177 | -65.6 | 177.1 | 0 | 0 | 0 | 111.7 | K273 R274 M277 F299 S300 A301 R305 N306 L309 F385 | K273-L303 HydrophobicContact CB-CD1 3.8Å; R274-L303 HydrophobicContact CG-CD1 4.2Å; R274-L303 HydrophobicContact CG-CD2 3.9Å; M277-L303 HydrophobicContact CB-CB 4.25Å; M277-L303 HydrophobicContact CG-CB 4.21Å; F299-L303 HydrophobicContact CD1-CD1 4.14Å; F299-L303 HydrophobicContact CE1-CD1 3.6Å; F299-L303 HydrophobicContact CE1-CG 4.21Å; F299-L303 HydrophobicContact CZ-CD1 4.27Å; F299-L303 PolarHBondContact O-N 3.46Å; S300-L303 PolarHBondContact O-N 3.07Å; A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 2.82Å; L303-R305 PolarHBondContact O-N 3.19Å; L303-N306 WeakPolarHBondContact O-CB 3.48Å; L303-N306 PolarHBondContact O-N 3.39Å; L303-N306 VanDerWaalsContact O-N 3.14Å; L303-L309 HydrophobicContact CD2-CD1 4.26Å; L303-F385 HydrophobicContact CD2-CD1 3.85Å; L303-F385 HydrophobicContact CD2-CE1 4.14Å |
| 304 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -26.6 | -179.2 | -70.3 | 169.1 | 0 | 0 | 0 | 112.8 | W71 Y76 L261 L263 M277 I289 V296 S300 A301 | W71-L304 HydrophobicContact CH2-CB 4.15Å; W71-L304 HydrophobicContact CH2-CD1 4.19Å; W71-L304 HydrophobicContact CZ3-CB 3.61Å; W71-L304 HydrophobicContact CZ3-CD1 4.22Å; Y76-L304 WeakPolarHBondContact CE2-O 3.44Å; Y76-L304 PolarHBondContact OH-O 3.19Å; L261-L304 HydrophobicContact CB-CD2 4.42Å; L261-L304 HydrophobicContact CD1-CD2 3.69Å; L263-L304 HydrophobicContact CB-CD1 3.99Å; L263-L304 HydrophobicContact CB-CD2 4.16Å; L263-L304 HydrophobicContact CB-CG 4.08Å; L263-L304 HydrophobicContact CD1-CD2 3.71Å; L263-L304 HydrophobicContact CD1-CG 3.99Å; L263-L304 HydrophobicContact CG-CD2 4.48Å; M277-L304 HydrophobicContact SD-CD2 4.01Å; I289-L304 HydrophobicContact CD1-CD1 3.99Å; I289-L304 HydrophobicContact CD1-CD2 4.04Å; I289-L304 HydrophobicContact CD1-CG 4.45Å; I289-L304 HydrophobicContact CG1-CD1 4.22Å; I289-L304 HydrophobicContact CG1-CD2 3.78Å; I289-L304 HydrophobicContact CG2-CD1 4.48Å; V296-L304 HydrophobicContact CG1-CD1 4.27Å; S300-L304 WeakPolarHBondContact O-CG 3.41Å; S300-L304 PolarHBondContact O-N 2.87Å; A301-L304 PolarHBondContact O-N 3.11Å |
| 305 | R | 98.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 48 Ų | 48 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -2.9 | 179.1 | -61.2 | 175 | 172.7 | -108.4 | -0.5 | 113.9 | D69 W71 L74 A301 L303 K307 | D69-R305 VanDerWaalsContact O-CZ 3.22Å; D69-R305 PolarHBondContact O-NH1 3.25Å; D69-R305 PolarHBondContact O-NH2 3.22Å; W71-R305 HydrophobicContact CE3-CG 4.04Å; W71-R305 HydrophobicContact CH2-CG 3.93Å; W71-R305 VanDerWaalsContact CH2-NE 3.34Å; W71-R305 VanDerWaalsContact CZ2-NH2 3.35Å; W71-R305 HydrophobicContact CZ3-CG 3.46Å; W71-R305 VanDerWaalsContact CZ3-CG 3.46Å; W71-R305 VanDerWaalsContact NE1-NH2 3.13Å; L74-R305 HydrophobicContact CD1-CB 3.81Å; L74-R305 HydrophobicContact CD1-CG 3.57Å; A301-R305 VanDerWaalsContact O-CB 3.31Å; A301-R305 WeakPolarHBondContact O-CB 3.35Å; A301-R305 WeakPolarHBondContact O-CG 3.34Å; A301-R305 PolarHBondContact O-N 2.83Å; L303-R305 PolarHBondContact O-N 3.19Å; R305-K307 PolarHBondContact O-N 3.09Å |
| 306 | N | 98.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | trans | -66.8 | 110 | -173.9 | -178.3 | -37.1 | 0 | 0 | 0 | 110.1 | S302 L303 H308 L309 L310 V384 F385 | S302-N306 WeakPolarHBondContact O-CB 3.33Å; S302-N306 PolarHBondContact O-N 2.84Å; S302-N306 VanDerWaalsContact O-N 3.15Å; L303-N306 WeakPolarHBondContact O-CB 3.48Å; L303-N306 PolarHBondContact O-N 3.39Å; L303-N306 VanDerWaalsContact O-N 3.14Å; N306-H308 PolarHBondContact O-N 3.14Å; N306-H308 VanDerWaalsContact O-N 3.16Å; N306-H308 WeakPolarHBondContact OD1-CA 3.39Å; N306-H308 WeakPolarHBondContact OD1-CB 3.38Å; N306-H308 PolarHBondContact OD1-N 2.74Å; N306-L309 HydrophobicContact CB-CB 4.16Å; N306-L309 HydrophobicContact CB-CD1 3.92Å; N306-L309 HydrophobicContact CB-CG 4.2Å; N306-L309 PolarHBondContact O-N 2.8Å; N306-L309 VanDerWaalsContact O-N 3.16Å; N306-L309 PolarHBondContact OD1-N 3.5Å; N306-L310 WeakPolarHBondContact O-CG 3.41Å; N306-L310 PolarHBondContact O-N 3.41Å; N306-V384 PolarHBondContact ND2-O 2.81Å; N306-V384 PolarHBondContact OD1-O 3.48Å; N306-F385 PolarHBondContact ND2-O 3.34Å | ||
| 307 | K | 97.2 | Very high | 97.2 | Very high | 151 Ų | 151 | 51.2 Ų | 51.2 | 66% | 0.657 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -56.7 | -30.2 | -179.3 | 67.5 | -177.6 | -177.8 | -179.7 | 0 | 114.1 | R305 R311 | R305-K307 PolarHBondContact O-N 3.09Å; K307-R311 WeakPolarHBondContact O-CB 3.43Å; K307-R311 PolarHBondContact O-N 2.93Å |
| 308 | H | 96.7 | Very high | 97.2 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -75.7 | -40.8 | 179.8 | -59 | -82.7 | 0 | 0 | 0 | 111.1 | N306 I312 V384 G387 | N306-H308 PolarHBondContact O-N 3.14Å; N306-H308 VanDerWaalsContact O-N 3.16Å; N306-H308 WeakPolarHBondContact OD1-CA 3.39Å; N306-H308 WeakPolarHBondContact OD1-CB 3.38Å; N306-H308 PolarHBondContact OD1-N 2.74Å; H308-I312 WeakPolarHBondContact O-CG1 3.46Å; H308-I312 PolarHBondContact O-N 3.18Å; H308-V384 HydrophobicContact CB-CG1 3.96Å; H308-V384 WeakPolarHBondContact CB-O 3.33Å; H308-G387 WeakPolarHBondContact NE2-CA 3.14Å |
| 309 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -50.2 | 171 | -74.5 | 172.1 | 0 | 0 | 0 | 110.8 | M277 C281 L303 N306 R311 I312 D313 V384 F385 M410 | M277-L309 HydrophobicContact CB-CD1 4.38Å; M277-L309 HydrophobicContact CG-CD1 3.7Å; C281-L309 HydrophobicContact CB-CD2 4.5Å; L303-L309 HydrophobicContact CD2-CD1 4.26Å; N306-L309 HydrophobicContact CB-CB 4.16Å; N306-L309 HydrophobicContact CB-CD1 3.92Å; N306-L309 HydrophobicContact CB-CG 4.2Å; N306-L309 PolarHBondContact O-N 2.8Å; N306-L309 VanDerWaalsContact O-N 3.16Å; N306-L309 PolarHBondContact OD1-N 3.5Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 2.65Å; L309-I312 WeakPolarHBondContact O-CB 3.46Å; L309-I312 PolarHBondContact O-N 2.66Å; L309-I312 VanDerWaalsContact O-N 3.12Å; L309-D313 PolarHBondContact O-N 3.32Å; L309-V384 HydrophobicContact CB-CG1 4.49Å; L309-V384 HydrophobicContact CD2-CG1 3.54Å; L309-V384 HydrophobicContact CG-CG1 3.8Å; L309-F385 HydrophobicContact CD1-CD1 4.04Å; L309-F385 HydrophobicContact CD1-CE1 3.92Å; L309-F385 HydrophobicContact CD2-CE1 4.15Å; L309-M410 HydrophobicContact CD2-CE 3.89Å; L309-M410 HydrophobicContact CD2-SD 3.86Å |
| 310 | L | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 179.5 | -65.3 | -176.9 | 0 | 0 | 0 | 112.4 | M32 L74 M277 L287 N306 I312 D313 Q314 | M32-L310 HydrophobicContact CE-CD1 4.2Å; M32-L310 HydrophobicContact CE-CD2 3.53Å; M32-L310 HydrophobicContact CE-CG 4.43Å; L74-L310 HydrophobicContact CB-CD1 4.32Å; L74-L310 HydrophobicContact CD2-CD1 4.5Å; M277-L310 HydrophobicContact CE-CD2 3.93Å; L287-L310 HydrophobicContact CD1-CD2 3.61Å; N306-L310 WeakPolarHBondContact O-CG 3.41Å; N306-L310 PolarHBondContact O-N 3.41Å; L310-I312 VanDerWaalsContact C-N 3.33Å; L310-I312 PolarHBondContact O-N 3.1Å; L310-D313 PolarHBondContact O-N 3.28Å; L310-Q314 VanDerWaalsContact O-CB 3.25Å; L310-Q314 WeakPolarHBondContact O-CB 3.23Å; L310-Q314 WeakPolarHBondContact O-CG 3.19Å; L310-Q314 PolarHBondContact O-N 3.36Å |
| 311 | R | 95.6 | Very high | 97.1 | Very high | 125 Ų | 125 | 40.9 Ų | 40.9 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.4 | -32.3 | 177.1 | -175.6 | 63.5 | 174.9 | 100.7 | 3.1 | 113.1 | K307 L309 D315 | K307-R311 WeakPolarHBondContact O-CB 3.43Å; K307-R311 PolarHBondContact O-N 2.93Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 2.65Å; R311-D315 IonicContact NH1-OD1 3.96Å |
| 312 | I | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.4 | -47 | 173.3 | -70.5 | 169.1 | 0 | 0 | 0 | 109.7 | C281 M282 H308 L309 L310 D315 R335 L337 A345 V384 M410 | C281-I312 HydrophobicContact CB-CG2 4.43Å; M282-I312 HydrophobicContact SD-CG2 4.26Å; H308-I312 WeakPolarHBondContact O-CG1 3.46Å; H308-I312 PolarHBondContact O-N 3.18Å; L309-I312 WeakPolarHBondContact O-CB 3.46Å; L309-I312 PolarHBondContact O-N 2.66Å; L309-I312 VanDerWaalsContact O-N 3.12Å; L310-I312 VanDerWaalsContact C-N 3.33Å; L310-I312 PolarHBondContact O-N 3.1Å; I312-D315 WeakPolarHBondContact O-CB 3.41Å; I312-R335 PolarHBondContact O-NH1 3.27Å; I312-R335 PolarHBondContact O-NH2 2.8Å; I312-L337 HydrophobicContact CG1-CD1 3.92Å; I312-L337 HydrophobicContact CG2-CD2 4.29Å; I312-A345 HydrophobicContact CD1-CB 3.91Å; I312-A345 HydrophobicContact CG1-CB 4.21Å; I312-A345 HydrophobicContact CG2-CB 4.2Å; I312-V384 HydrophobicContact CD1-CB 4.36Å; I312-V384 HydrophobicContact CD1-CG1 3.68Å; I312-V384 HydrophobicContact CD1-CG2 3.68Å; I312-M410 HydrophobicContact CD1-CE 4.11Å |
| 313 | D | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -52.5 | -179.7 | -175.3 | 71 | 0 | 0 | 0 | 112.2 | C281 L287 L309 L310 D315 | C281-D313 HydrophobicContact CB-CB 3.97Å; L287-D313 HydrophobicContact CD1-CB 3.94Å; L287-D313 VanDerWaalsContact CD1-OD2 3.23Å; L287-D313 WeakPolarHBondContact CD1-OD2 3.45Å; L287-D313 WeakPolarHBondContact CG-OD2 3.38Å; L309-D313 PolarHBondContact O-N 3.32Å; L310-D313 PolarHBondContact O-N 3.28Å; D313-D315 PolarHBondContact O-N 3.44Å; D313-D315 VanDerWaalsContact O-N 3.08Å |
| 314 | Q | 96.9 | Very high | 97.1 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 22% | 0.22 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 29.1 | -177.7 | -59.7 | -65.1 | -62.9 | 0 | 0 | 113 | T29 P30 M32 L310 | T29-Q314 PolarHBondContact OG1-OE1 3.17Å; P30-Q314 PolarHBondContact O-NE2 3.44Å; M32-Q314 VanDerWaalsContact SD-CD 3.51Å; M32-Q314 HydrophobicContact SD-CG 3.65Å; L310-Q314 VanDerWaalsContact O-CB 3.25Å; L310-Q314 WeakPolarHBondContact O-CB 3.23Å; L310-Q314 WeakPolarHBondContact O-CG 3.19Å; L310-Q314 PolarHBondContact O-N 3.36Å |
| 315 | D | 95.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | trans | -67.6 | 134.7 | 174.2 | -174.9 | 62.9 | 0 | 0 | 0 | 111.4 | R311 I312 D313 D317 G318 L337 N338 | R311-D315 IonicContact NH1-OD1 3.96Å; I312-D315 WeakPolarHBondContact O-CB 3.41Å; D313-D315 PolarHBondContact O-N 3.44Å; D313-D315 VanDerWaalsContact O-N 3.08Å; D315-D317 VanDerWaalsContact C-N 3.33Å; D315-D317 PolarHBondContact O-N 3.49Å; D315-D317 PolarHBondContact OD2-N 2.85Å; D315-G318 PolarHBondContact O-N 3.28Å; D315-G318 VanDerWaalsContact O-N 3.13Å; D315-L337 HydrophobicContact CB-CD2 4.18Å; D315-N338 VanDerWaalsContact CG-N 3.34Å; D315-N338 WeakPolarHBondContact OD1-CB 3.17Å; D315-N338 PolarHBondContact OD1-N 2.95Å; D315-N338 PolarHBondContact OD2-N 3.47Å | ||
| 316 | K | 93.4 | Very high | 97.1 | Very high | 154 Ų | 154 | 42.1 Ų | 42.1 | 67% | 0.67 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -27.4 | -171 | -70.2 | -176.4 | 178.4 | 179.3 | 0 | 114 | G318 | K316-G318 VanDerWaalsContact C-N 3.27Š|
| 317 | D | 93 | Very high | 97.1 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -14.4 | 178.1 | -69.9 | -1.6 | 0 | 0 | 0 | 111.3 | D315 H319 N338 | D315-D317 VanDerWaalsContact C-N 3.33Å; D315-D317 PolarHBondContact O-N 3.49Å; D315-D317 PolarHBondContact OD2-N 2.85Å; D317-H319 PolarHBondContact O-N 3.25Å; D317-N338 HydrophobicContact CB-CB 4.23Å; D317-N338 VanDerWaalsContact CG-ND2 3.31Å; D317-N338 PolarHBondContact OD1-ND2 3.44Å; D317-N338 VanDerWaalsContact OD2-CA 3.27Å; D317-N338 WeakPolarHBondContact OD2-CA 3.46Å; D317-N338 PolarHBondContact OD2-ND2 2.96Å |
| 318 | G | 95.1 | Very high | 97 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | 65.7 | 14.9 | 168 | 0 | 0 | 0 | 0 | 0 | 115.5 | W255 D315 K316 Q320 | W255-G318 VanDerWaalsContact CH2-CA 3.42Å; W255-G318 VanDerWaalsContact CZ3-O 3.28Å; W255-G318 WeakPolarHBondContact CZ3-O 3.42Å; D315-G318 PolarHBondContact O-N 3.28Å; D315-G318 VanDerWaalsContact O-N 3.13Å; K316-G318 VanDerWaalsContact C-N 3.27Å; G318-Q320 PolarHBondContact O-N 3.25Å | ||
| 319 | H | 96.5 | Very high | 97.1 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 25% | 0.25 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 129.2 | 178.6 | -68 | -40.2 | 0 | 0 | 0 | 111.1 | D317 R335 K336 | D317-H319 PolarHBondContact O-N 3.25Å; H319-R335 WeakPolarHBondContact O-CD 3.35Å; H319-R335 WeakPolarHBondContact O-CG 3.43Å; H319-R335 PolarHBondContact O-NE 2.99Å; H319-R335 PolarHBondContact O-NH2 3.11Å; H319-R335 VanDerWaalsContact O-NH2 3.11Å; H319-K336 WeakPolarHBondContact CB-O 3.47Å |
| 320 | Q | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 150.1 | 170.9 | 168.7 | 172.2 | -50.6 | 0 | 0 | 110.8 | A250 N256 F283 G318 Y372 | A250-Q320 HydrophobicContact CB-CB 4.04Å; N256-Q320 PolarHBondContact ND2-OE1 3.12Å; F283-Q320 WeakPolarHBondContact O-CG 3.44Å; F283-Q320 PolarHBondContact O-OE1 2.96Å; G318-Q320 PolarHBondContact O-N 3.25Å; Q320-Y372 WeakPolarHBondContact O-CE2 3.12Å; Q320-Y372 PolarHBondContact O-OH 2.82Å |
| 321 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 147.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | M282 W333 I334 R335 | M282-A321 HydrophobicContact CB-CB 3.87Å; M282-A321 HydrophobicContact CE-CB 3.84Å; M282-A321 WeakPolarHBondContact O-CB 3.3Å; M282-A321 PolarHBondContact O-N 3.05Å; A321-W333 HydrophobicContact CB-CE3 4.43Å; A321-I334 CarbonylContact C-O 3.57Å; A321-I334 VanDerWaalsContact CA-O 3.3Å; A321-I334 WeakPolarHBondContact CA-O 3.29Å; A321-R335 HydrophobicContact CB-CB 3.95Å |
| 322 | E | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.5 | 166.4 | -78.8 | -163.2 | -171.2 | 0 | 0 | 112.2 | N243 P247 W333 I334 S369 Q370 M371 Y372 | N243-E322 VanDerWaalsContact OD1-CA 3.24Å; N243-E322 WeakPolarHBondContact OD1-CA 3.42Å; P247-E322 HydrophobicContact CB-CG 3.9Å; P247-E322 HydrophobicContact CG-CG 3.82Å; E322-W333 VanDerWaalsContact C-CE3 3.47Å; E322-W333 VanDerWaalsContact O-CA 3.29Å; E322-W333 WeakPolarHBondContact O-CA 3.23Å; E322-I334 PolarHBondContact N-O 2.86Å; E322-I334 PolarHBondContact O-N 2.86Å; E322-S369 VanDerWaalsContact CD-OG 3.28Å; E322-S369 WeakPolarHBondContact OE2-CB 3.36Å; E322-S369 PolarHBondContact OE2-OG 2.95Å; E322-Q370 PolarHBondContact OE2-N 3.38Å; E322-M371 WeakPolarHBondContact OE1-CB 3.4Å; E322-M371 WeakPolarHBondContact OE1-CG 3.21Å; E322-M371 PolarHBondContact OE1-N 3.2Å; E322-M371 VanDerWaalsContact OE1-N 3.16Å; E322-M371 PolarHBondContact OE2-N 3.02Å; E322-Y372 HydrophobicContact CB-CD2 4.31Å; E322-Y372 HydrophobicContact CB-CE2 4.39Å; E322-Y372 HydrophobicContact CG-CD2 4.27Å; E322-Y372 HydrophobicContact CG-CE2 4.03Å |
| 323 | F | 98.6 | Very high | 97.4 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.6 | 162.3 | 175.9 | -104.2 | 0 | 0 | 0 | 109.6 | K240 N243 K325 S326 Q331 W333 | K240-F323 HydrophobicContact CB-CD2 4.41Å; K240-F323 HydrophobicContact CB-CG 4.42Å; K240-F323 HydrophobicContact CD-CD2 3.89Å; K240-F323 HydrophobicContact CD-CE1 4.31Å; K240-F323 HydrophobicContact CD-CE2 3.62Å; K240-F323 HydrophobicContact CD-CG 4.35Å; K240-F323 HydrophobicContact CD-CZ 3.84Å; K240-F323 HydrophobicContact CG-CB 4.43Å; K240-F323 HydrophobicContact CG-CD1 3.99Å; K240-F323 HydrophobicContact CG-CD2 3.82Å; K240-F323 HydrophobicContact CG-CE1 4.17Å; K240-F323 HydrophobicContact CG-CE2 4.01Å; K240-F323 HydrophobicContact CG-CG 3.8Å; K240-F323 HydrophobicContact CG-CZ 4.17Å; N243-F323 HydrophobicContact CB-CB 4.18Å; N243-F323 PolarHBondContact ND2-O 3.13Å; N243-F323 PolarHBondContact OD1-N 2.84Å; F323-K325 WeakPolarHBondContact CE2-O 2.98Å; F323-K325 VanDerWaalsContact CZ-CA 3.48Å; F323-K325 WeakPolarHBondContact CZ-O 3.36Å; F323-S326 WeakPolarHBondContact CZ-OG 3.08Å; F323-Q331 HydrophobicContact CE2-CB 4.15Å; F323-Q331 HydrophobicContact CE2-CG 4.3Å; F323-W333 VanDerWaalsContact CA-CE3 3.47Å; F323-W333 HydrophobicContact CB-CD2 4.25Å; F323-W333 HydrophobicContact CB-CE3 3.84Å; F323-W333 HydrophobicContact CB-CH2 3.83Å; F323-W333 HydrophobicContact CB-CZ2 4.23Å; F323-W333 HydrophobicContact CB-CZ3 3.61Å; F323-W333 HydrophobicContact CD2-CD2 4.33Å; F323-W333 AromaticContact CD2-CE2 3.9Å; F323-W333 HydrophobicContact CD2-CH2 4.39Å; F323-W333 AromaticContact CD2-CZ2 3.95Å; F323-W333 HydrophobicContact CD2-CZ2 3.95Å |
| 324 | V | 98.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 15% | 0.152 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -65.9 | 179.3 | 176.2 | 0 | 0 | 0 | 0 | 110 | L332 I334 E366 | V324-L332 HydrophobicContact CB-CB 3.94Å; V324-L332 WeakPolarHBondContact CB-O 2.99Å; V324-L332 HydrophobicContact CG1-CB 4.4Å; V324-L332 PolarHBondContact N-O 2.91Å; V324-I334 HydrophobicContact CG2-CB 4.14Å; V324-I334 HydrophobicContact CG2-CG2 3.53Å; V324-E366 VanDerWaalsContact CG1-O 3.24Å; V324-E366 WeakPolarHBondContact CG1-O 3.09Å |
| 325 | K | 98.3 | Very high | 97.4 | Very high | 74 Ų | 74 | 34.7 Ų | 34.7 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 170 | -176.5 | 70.8 | -173 | 96.5 | 162.7 | 0 | 110.8 | F323 L332 E366 | F323-K325 WeakPolarHBondContact CE2-O 2.98Å; F323-K325 VanDerWaalsContact CZ-CA 3.48Å; F323-K325 WeakPolarHBondContact CZ-O 3.36Å; K325-L332 HydrophobicContact CG-CD2 4.3Å; K325-L332 PolarHBondContact O-N 3.35Å; K325-E366 VanDerWaalsContact CE-O 3.28Å; K325-E366 WeakPolarHBondContact CE-O 3.36Å; K325-E366 PolarHBondContact NZ-O 3.18Å; K325-E366 IonicContact NZ-OE2 2.87Å; K325-E366 PolarHBondContact NZ-OE2 2.94Å |
| 326 | S | 98.3 | Very high | 97.4 | Very high | 58 Ų | 58 | 38 Ų | 38 | 41% | 0.406 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.8 | 166.5 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | K240 F323 V330 | K240-S326 PolarHBondContact NZ-OG 3.44Å; F323-S326 WeakPolarHBondContact CZ-OG 3.08Å; S326-V330 CarbonylContact C-O 3.5Å; S326-V330 VanDerWaalsContact CA-O 3.23Å; S326-V330 WeakPolarHBondContact CA-O 3.48Å |
| 327 | R | 97.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 30.9 Ų | 30.9 | 27% | 0.272 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 130.9 | 174.8 | 179.8 | 177.7 | 69.2 | -158.3 | -7.2 | 109.4 | D329 V330 F360 T361 E366 | R327-D329 VanDerWaalsContact C-N 3.28Å; R327-D329 PolarHBondContact O-N 2.82Å; R327-V330 PolarHBondContact N-O 2.99Å; R327-V330 WeakPolarHBondContact O-CA 3.24Å; R327-V330 WeakPolarHBondContact O-CB 3.17Å; R327-V330 PolarHBondContact O-N 3.09Å; R327-F360 HydrophobicContact CB-CE2 4.21Å; R327-F360 HydrophobicContact CB-CZ 4.41Å; R327-F360 HydrophobicContact CG-CE2 4.31Å; R327-T361 PolarHBondContact NH2-O 3.4Å; R327-E366 IonicContact CZ-OE1 3.19Å; R327-E366 IonicContact CZ-OE2 3.31Å; R327-E366 IonicContact NH1-OE1 2.76Å; R327-E366 PolarHBondContact NH1-OE1 2.92Å; R327-E366 IonicContact NH1-OE2 3.46Å; R327-E366 PolarHBondContact NH1-OE2 3.22Å; R327-E366 IonicContact NH2-OE1 3.57Å; R327-E366 PolarHBondContact NH2-OE1 2.94Å; R327-E366 IonicContact NH2-OE2 2.81Å |
| 328 | N | 96.6 | Very high | 96.9 | Very high | 107 Ų | 107 | 29.7 Ų | 29.7 | 57% | 0.572 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 45.4 | 179 | -55.3 | -21.8 | 0 | 0 | 0 | 112.8 | V330 I358 | N328-V330 PolarHBondContact O-N 3.13Å; N328-V330 VanDerWaalsContact O-N 3.13Å; N328-I358 HydrophobicContact CB-CD1 4.01Å |
| 329 | D | 97.8 | Very high | 95.5 | Very high | 81 Ų | 81 | 33.8 Ų | 33.8 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 18 | -173.8 | -50.6 | -50.7 | 0 | 0 | 0 | 114.8 | R327 Y350 T351 R352 | R327-D329 VanDerWaalsContact C-N 3.28Å; R327-D329 PolarHBondContact O-N 2.82Å; D329-Y350 HydrophobicContact CB-CD2 4.16Å; D329-Y350 HydrophobicContact CB-CE2 3.9Å; D329-T351 PolarHBondContact O-N 3.04Å; D329-T351 PolarHBondContact O-OG1 3.48Å; D329-R352 HydrophobicContact CB-CG 3.89Å |
| 330 | V | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.1 | 173.4 | -174 | 0 | 0 | 0 | 0 | 109.9 | S326 R327 N328 L332 C348 I349 Y350 I358 F360 I403 | S326-V330 CarbonylContact C-O 3.5Å; S326-V330 VanDerWaalsContact CA-O 3.23Å; S326-V330 WeakPolarHBondContact CA-O 3.48Å; R327-V330 PolarHBondContact N-O 2.99Å; R327-V330 WeakPolarHBondContact O-CA 3.24Å; R327-V330 WeakPolarHBondContact O-CB 3.17Å; R327-V330 PolarHBondContact O-N 3.09Å; N328-V330 PolarHBondContact O-N 3.13Å; N328-V330 VanDerWaalsContact O-N 3.13Å; V330-L332 HydrophobicContact CB-CD1 4.39Å; V330-L332 HydrophobicContact CG1-CD1 3.92Å; V330-C348 HydrophobicContact CG1-CB 3.79Å; V330-I349 CarbonylContact C-O 3.4Å; V330-I349 WeakPolarHBondContact CA-O 3.27Å; V330-Y350 HydrophobicContact CG2-CD2 3.87Å; V330-I358 HydrophobicContact CG2-CD1 4.33Å; V330-I358 HydrophobicContact CG2-CG2 4.21Å; V330-F360 HydrophobicContact CB-CD2 3.92Å; V330-F360 HydrophobicContact CB-CE2 3.84Å; V330-F360 HydrophobicContact CB-CG 4.35Å; V330-F360 HydrophobicContact CB-CZ 4.22Å; V330-F360 HydrophobicContact CG1-CD1 4.26Å; V330-F360 HydrophobicContact CG1-CD2 4.35Å; V330-F360 HydrophobicContact CG1-CE1 4.28Å; V330-F360 HydrophobicContact CG1-CE2 4.37Å; V330-F360 HydrophobicContact CG1-CG 4.3Å; V330-F360 HydrophobicContact CG1-CZ 4.34Å; V330-F360 HydrophobicContact CG2-CB 4.35Å; V330-F360 HydrophobicContact CG2-CD2 3.58Å; V330-F360 HydrophobicContact CG2-CE2 4.01Å; V330-F360 HydrophobicContact CG2-CG 3.99Å; V330-I403 HydrophobicContact CG1-CD1 4.11Å |
| 331 | Q | 98.7 | Very high | 91.8 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.8 | 169.4 | -58.5 | -173.5 | 11.1 | 0 | 0 | 110.2 | N237 F323 W333 C348 I349 T351 | N237-Q331 PolarHBondContact OD1-NE2 3.02Å; F323-Q331 HydrophobicContact CE2-CB 4.15Å; F323-Q331 HydrophobicContact CE2-CG 4.3Å; Q331-W333 VanDerWaalsContact OE1-NE1 3.13Å; Q331-C348 WeakPolarHBondContact O-CA 3.37Å; Q331-I349 HydrophobicContact CB-CB 4.34Å; Q331-I349 PolarHBondContact N-O 3.28Å; Q331-I349 PolarHBondContact O-N 2.57Å; Q331-T351 HydrophobicContact CG-CG2 3.69Å |
| 332 | L | 98.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.5 | 174.8 | -81.8 | 61.1 | 0 | 0 | 0 | 109 | V324 K325 V330 A347 F360 F367 | V324-L332 HydrophobicContact CB-CB 3.94Å; V324-L332 WeakPolarHBondContact CB-O 2.99Å; V324-L332 HydrophobicContact CG1-CB 4.4Å; V324-L332 PolarHBondContact N-O 2.91Å; K325-L332 HydrophobicContact CG-CD2 4.3Å; K325-L332 PolarHBondContact O-N 3.35Å; V330-L332 HydrophobicContact CB-CD1 4.39Å; V330-L332 HydrophobicContact CG1-CD1 3.92Å; L332-A347 WeakPolarHBondContact CA-O 3.42Å; L332-F360 HydrophobicContact CD1-CE1 3.78Å; L332-F360 HydrophobicContact CD1-CZ 3.65Å; L332-F360 HydrophobicContact CD2-CE1 4.43Å; L332-F360 HydrophobicContact CD2-CZ 4.48Å; L332-F360 HydrophobicContact CG-CE1 4.44Å; L332-F367 HydrophobicContact CB-CD1 4.24Å; L332-F367 HydrophobicContact CB-CE1 3.91Å; L332-F367 HydrophobicContact CD2-CD1 4.41Å; L332-F367 HydrophobicContact CD2-CE1 4.02Å; L332-F367 HydrophobicContact CD2-CE2 4.38Å; L332-F367 HydrophobicContact CD2-CZ 4Å; L332-F367 HydrophobicContact CG-CD1 4.37Å; L332-F367 HydrophobicContact CG-CE1 3.7Å; L332-F367 HydrophobicContact CG-CZ 3.95Å |
| 333 | W | 98.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.3 | 177.6 | -60.9 | 82.4 | 0 | 0 | 0 | 110.1 | I236 K240 M279 M282 F283 A321 E322 F323 Q331 I346 A347 | I236-W333 HydrophobicContact CG2-CZ2 3.92Å; K240-W333 HydrophobicContact CB-CH2 3.75Å; K240-W333 HydrophobicContact CB-CZ2 3.87Å; M279-W333 HydrophobicContact CE-CB 4.46Å; M279-W333 HydrophobicContact CE-CD2 3.61Å; M279-W333 HydrophobicContact CE-CE3 4.08Å; M279-W333 HydrophobicContact CE-CG 3.78Å; M279-W333 HydrophobicContact CE-CZ2 4.22Å; M282-W333 HydrophobicContact CE-CB 4.25Å; F283-W333 HydrophobicContact CE1-CE3 4.13Å; F283-W333 AromaticContact CE1-CH2 3.95Å; F283-W333 HydrophobicContact CE1-CH2 3.95Å; F283-W333 AromaticContact CE1-CZ3 3.7Å; F283-W333 HydrophobicContact CE1-CZ3 3.7Å; F283-W333 HydrophobicContact CZ-CH2 4.22Å; F283-W333 HydrophobicContact CZ-CZ3 4.42Å; A321-W333 HydrophobicContact CB-CE3 4.43Å; E322-W333 VanDerWaalsContact C-CE3 3.47Å; E322-W333 VanDerWaalsContact O-CA 3.29Å; E322-W333 WeakPolarHBondContact O-CA 3.23Å; F323-W333 VanDerWaalsContact CA-CE3 3.47Å; F323-W333 HydrophobicContact CB-CD2 4.25Å; F323-W333 HydrophobicContact CB-CE3 3.84Å; F323-W333 HydrophobicContact CB-CH2 3.83Å; F323-W333 HydrophobicContact CB-CZ2 4.23Å; F323-W333 HydrophobicContact CB-CZ3 3.61Å; F323-W333 HydrophobicContact CD2-CD2 4.33Å; F323-W333 AromaticContact CD2-CE2 3.9Å; F323-W333 HydrophobicContact CD2-CH2 4.39Å; F323-W333 AromaticContact CD2-CZ2 3.95Å; F323-W333 HydrophobicContact CD2-CZ2 3.95Å; Q331-W333 VanDerWaalsContact OE1-NE1 3.13Å; W333-I346 VanDerWaalsContact O-CA 3.32Å; W333-I346 WeakPolarHBondContact O-CA 3.27Å; W333-A347 HydrophobicContact CB-CB 4.23Å; W333-A347 PolarHBondContact N-O 2.7Å; W333-A347 PolarHBondContact O-N 3.43Å |
| 334 | I | 98.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.1 | 175.3 | -177 | 169.2 | 0 | 0 | 0 | 110.6 | A321 E322 V324 W344 A345 I346 F367 Y372 I374 | A321-I334 CarbonylContact C-O 3.57Å; A321-I334 VanDerWaalsContact CA-O 3.3Å; A321-I334 WeakPolarHBondContact CA-O 3.29Å; E322-I334 PolarHBondContact N-O 2.86Å; E322-I334 PolarHBondContact O-N 2.86Å; V324-I334 HydrophobicContact CG2-CB 4.14Å; V324-I334 HydrophobicContact CG2-CG2 3.53Å; I334-W344 HydrophobicContact CD1-CB 4.39Å; I334-W344 HydrophobicContact CD1-CG 4.26Å; I334-W344 HydrophobicContact CG1-CB 4.41Å; I334-A345 CarbonylContact C-O 3.48Å; I334-A345 WeakPolarHBondContact CA-O 3.35Å; I334-I346 HydrophobicContact CB-CG2 4.4Å; I334-I346 HydrophobicContact CD1-CG2 4.48Å; I334-I346 HydrophobicContact CG1-CG2 4.18Å; I334-F367 HydrophobicContact CB-CB 4.36Å; I334-F367 HydrophobicContact CD1-CB 4.09Å; I334-F367 WeakPolarHBondContact CD1-O 3.23Å; I334-Y372 HydrophobicContact CG2-CD2 4.26Å; I334-I374 HydrophobicContact CD1-CD1 3.87Å; I334-I374 HydrophobicContact CD1-CG1 3.52Å |
| 335 | R | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.5 | 172.1 | -177.5 | -179.5 | 168.6 | 161 | 8.1 | 109.1 | C281 M282 I312 H319 A321 L337 W344 A345 | C281-R335 PolarHBondContact O-NH1 2.96Å; M282-R335 HydrophobicContact CE-CB 3.76Å; M282-R335 WeakPolarHBondContact O-CD 3.47Å; M282-R335 HydrophobicContact SD-CB 4.26Å; I312-R335 PolarHBondContact O-NH1 3.27Å; I312-R335 PolarHBondContact O-NH2 2.8Å; H319-R335 WeakPolarHBondContact O-CD 3.35Å; H319-R335 WeakPolarHBondContact O-CG 3.43Å; H319-R335 PolarHBondContact O-NE 2.99Å; H319-R335 PolarHBondContact O-NH2 3.11Å; H319-R335 VanDerWaalsContact O-NH2 3.11Å; A321-R335 HydrophobicContact CB-CB 3.95Å; R335-L337 HydrophobicContact CG-CD2 3.91Å; R335-W344 CarbonylContact O-C 3.53Å; R335-W344 VanDerWaalsContact O-CA 3.25Å; R335-W344 WeakPolarHBondContact O-CA 3.34Å; R335-W344 WeakPolarHBondContact O-CB 3.25Å; R335-A345 HydrophobicContact CB-CB 4.41Å; R335-A345 PolarHBondContact N-O 2.77Å; R335-A345 PolarHBondContact O-N 2.72Å |
| 336 | K | 95.5 | Very high | 90.2 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 135.3 | 166.7 | -174.9 | 180 | 178.2 | -172.6 | 0 | 109.2 | H319 Y372 | H319-K336 WeakPolarHBondContact CB-O 3.47Å; K336-Y372 HydrophobicContact CB-CD1 3.69Å; K336-Y372 HydrophobicContact CB-CE1 3.88Å; K336-Y372 HydrophobicContact CB-CG 4.16Å; K336-Y372 HydrophobicContact CD-CD1 4.42Å |
| 337 | L | 94.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 162.4 | 172.4 | -51.5 | -174.4 | 0 | 0 | 0 | 110.3 | I312 D315 R335 G343 A345 R412 | I312-L337 HydrophobicContact CG1-CD1 3.92Å; I312-L337 HydrophobicContact CG2-CD2 4.29Å; D315-L337 HydrophobicContact CB-CD2 4.18Å; R335-L337 HydrophobicContact CG-CD2 3.91Å; L337-G343 PolarHBondContact N-O 3.28Å; L337-A345 HydrophobicContact CD1-CB 4.26Å; L337-A345 HydrophobicContact CG-CB 4.47Å; L337-R412 VanDerWaalsContact CG-NH1 3.27Å |
| 338 | N | 82.3 | Confident | 90.2 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | trans | -52.9 | 148.6 | 179.3 | 176.6 | -73.9 | 0 | 0 | 0 | 113.3 | D315 D317 C340 P341 | D315-N338 VanDerWaalsContact CG-N 3.34Å; D315-N338 WeakPolarHBondContact OD1-CB 3.17Å; D315-N338 PolarHBondContact OD1-N 2.95Å; D315-N338 PolarHBondContact OD2-N 3.47Å; D317-N338 HydrophobicContact CB-CB 4.23Å; D317-N338 VanDerWaalsContact CG-ND2 3.31Å; D317-N338 PolarHBondContact OD1-ND2 3.44Å; D317-N338 VanDerWaalsContact OD2-CA 3.27Å; D317-N338 WeakPolarHBondContact OD2-CA 3.46Å; D317-N338 PolarHBondContact OD2-ND2 2.96Å; N338-C340 PolarHBondContact O-N 2.99Å; N338-C340 PolarHBondContact OD1-N 3.11Å; N338-P341 VanDerWaalsContact O-O 3.08Å | ||
| 339 | N | 65.1 | Low | 90.3 | Very high | 86 Ų | 86 | 24.4 Ų | 24.4 | 46% | 0.46 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -72.8 | 14.2 | -170 | -78.9 | -4.1 | 0 | 0 | 0 | 117.9 | P341 S342 | N339-P341 CarbonylContact O-C 2.99Å; N339-P341 WeakPolarHBondContact O-CA 3.39Å; N339-S342 WeakPolarHBondContact CA-OG 3.43Å; N339-S342 VanDerWaalsContact CB-OG 3.28Å; N339-S342 WeakPolarHBondContact CB-OG 3.49Å; N339-S342 PolarHBondContact O-N 2.75Å; N339-S342 PolarHBondContact O-OG 2.75Å; N339-S342 WeakPolarHBondContact OD1-CB 3.49Å; N339-S342 PolarHBondContact OD1-OG 3.36Å |
| 340 | C | 58.9 | Low | 90.4 | Very high | 97 Ų | 97 | 21.6 Ų | 21.6 | 66% | 0.655 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 79.7 | -180 | -70.2 | 0 | 0 | 0 | 0 | 114 | N338 | N338-C340 PolarHBondContact O-N 2.99Å; N338-C340 PolarHBondContact OD1-N 3.11Å |
| 341 | P | 57.2 | Low | 90.3 | Very high | 69 Ų | 69 | 23.7 Ų | 23.7 | 45% | 0.448 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -82.8 | 153.4 | -9.5 | 33.4 | -33.2 | 0 | 0 | 0 | 111.9 | N338 N339 R412 | N338-P341 VanDerWaalsContact O-O 3.08Å; N339-P341 CarbonylContact O-C 2.99Å; N339-P341 WeakPolarHBondContact O-CA 3.39Å; P341-R412 PolarHBondContact O-NH2 2.88Å |
| 342 | S | 74.3 | Confident | 90.3 | Very high | 46 Ų | 46 | 27.9 Ų | 27.9 | 32% | 0.322 | 15% | 0.152 | S | C | . | . | trans | -52.5 | 139 | 175.2 | -53.2 | 0 | 0 | 0 | 0 | 111 | N339 P415 | N339-S342 WeakPolarHBondContact CA-OG 3.43Å; N339-S342 VanDerWaalsContact CB-OG 3.28Å; N339-S342 WeakPolarHBondContact CB-OG 3.49Å; N339-S342 PolarHBondContact O-N 2.75Å; N339-S342 PolarHBondContact O-OG 2.75Å; N339-S342 WeakPolarHBondContact OD1-CB 3.49Å; N339-S342 PolarHBondContact OD1-OG 3.36Å; S342-P415 WeakPolarHBondContact O-CD 2.98Å; S342-P415 VanDerWaalsContact O-CG 3.3Å; S342-P415 WeakPolarHBondContact O-CG 3.13Å | ||
| 343 | G | 91.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -174.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L337 R412 V413 | L337-G343 PolarHBondContact N-O 3.28Å; G343-R412 PolarHBondContact O-NH1 2.83Å; G343-V413 WeakPolarHBondContact CA-O 3.37Å |
| 344 | W | 96.5 | Very high | 89.9 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 161.8 | -178.7 | -56.2 | -98.7 | 0 | 0 | 0 | 111.1 | I334 R335 T373 I374 S375 F379 R412 V413 | I334-W344 HydrophobicContact CD1-CB 4.39Å; I334-W344 HydrophobicContact CD1-CG 4.26Å; I334-W344 HydrophobicContact CG1-CB 4.41Å; R335-W344 CarbonylContact O-C 3.53Å; R335-W344 VanDerWaalsContact O-CA 3.25Å; R335-W344 WeakPolarHBondContact O-CA 3.34Å; R335-W344 WeakPolarHBondContact O-CB 3.25Å; W344-T373 PolarHBondContact NE1-O 3.06Å; W344-I374 HydrophobicContact CB-CD1 4.45Å; W344-I374 HydrophobicContact CB-CG1 4.36Å; W344-I374 HydrophobicContact CD2-CB 4.27Å; W344-I374 HydrophobicContact CD2-CG1 3.88Å; W344-I374 HydrophobicContact CD2-CG2 4.15Å; W344-I374 HydrophobicContact CE3-CB 4.44Å; W344-I374 HydrophobicContact CE3-CG1 4.35Å; W344-I374 HydrophobicContact CE3-CG2 3.81Å; W344-I374 HydrophobicContact CG-CD1 4.45Å; W344-I374 HydrophobicContact CG-CG1 3.85Å; W344-I374 HydrophobicContact CH2-CG2 4.31Å; W344-I374 HydrophobicContact CZ3-CG2 3.92Å; W344-S375 VanDerWaalsContact CH2-O 3.26Å; W344-S375 WeakPolarHBondContact CH2-O 3.29Å; W344-F379 AromaticContact CZ3-CE1 3.89Å; W344-F379 HydrophobicContact CZ3-CE1 3.89Å; W344-R412 VanDerWaalsContact C-NH1 3.3Å; W344-R412 WeakPolarHBondContact O-CD 3.46Å; W344-R412 PolarHBondContact O-NH1 2.82Å; W344-V413 HydrophobicContact CB-CB 4.21Å; W344-V413 HydrophobicContact CB-CG2 4.48Å; W344-V413 HydrophobicContact CE3-CB 4.48Å; W344-V413 HydrophobicContact CE3-CG1 4.28Å; W344-V413 PolarHBondContact N-O 3.47Å; W344-V413 VanDerWaalsContact N-O 3.12Å; W344-V413 PolarHBondContact O-N 2.94Å |
| 345 | A | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | M282 I312 I334 R335 L337 F411 | M282-A345 HydrophobicContact CE-CB 4.27Å; M282-A345 HydrophobicContact SD-CB 3.71Å; I312-A345 HydrophobicContact CD1-CB 3.91Å; I312-A345 HydrophobicContact CG1-CB 4.21Å; I312-A345 HydrophobicContact CG2-CB 4.2Å; I334-A345 CarbonylContact C-O 3.48Å; I334-A345 WeakPolarHBondContact CA-O 3.35Å; R335-A345 HydrophobicContact CB-CB 4.41Å; R335-A345 PolarHBondContact N-O 2.77Å; R335-A345 PolarHBondContact O-N 2.72Å; L337-A345 HydrophobicContact CD1-CB 4.26Å; L337-A345 HydrophobicContact CG-CB 4.47Å; A345-F411 WeakPolarHBondContact CA-O 3.5Å |
| 346 | I | 98.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.6 | 173.9 | 60.3 | 171.5 | 0 | 0 | 0 | 109.5 | W333 I334 L364 F367 I374 F399 M410 F411 V413 | W333-I346 VanDerWaalsContact O-CA 3.32Å; W333-I346 WeakPolarHBondContact O-CA 3.27Å; I334-I346 HydrophobicContact CB-CG2 4.4Å; I334-I346 HydrophobicContact CD1-CG2 4.48Å; I334-I346 HydrophobicContact CG1-CG2 4.18Å; I346-L364 HydrophobicContact CD1-CD2 3.82Å; I346-F367 HydrophobicContact CB-CD1 3.68Å; I346-F367 HydrophobicContact CB-CE1 3.7Å; I346-F367 HydrophobicContact CB-CG 4.19Å; I346-F367 HydrophobicContact CB-CZ 4.21Å; I346-F367 HydrophobicContact CD1-CD2 4.12Å; I346-F367 HydrophobicContact CD1-CE1 4.21Å; I346-F367 HydrophobicContact CD1-CE2 3.77Å; I346-F367 HydrophobicContact CD1-CG 4.48Å; I346-F367 HydrophobicContact CD1-CZ 3.81Å; I346-F367 HydrophobicContact CG1-CE1 4.42Å; I346-F367 HydrophobicContact CG1-CZ 4.47Å; I346-F367 HydrophobicContact CG2-CB 3.95Å; I346-F367 HydrophobicContact CG2-CD1 3.58Å; I346-F367 HydrophobicContact CG2-CD2 4.32Å; I346-F367 HydrophobicContact CG2-CE1 4.13Å; I346-F367 HydrophobicContact CG2-CG 3.69Å; I346-I374 HydrophobicContact CG2-CD1 4.16Å; I346-F399 HydrophobicContact CD1-CZ 4.43Å; I346-M410 VanDerWaalsContact O-CA 3.31Å; I346-M410 WeakPolarHBondContact O-CA 3.36Å; I346-F411 HydrophobicContact CD1-CB 4.22Å; I346-F411 HydrophobicContact CD1-CD2 4.13Å; I346-F411 HydrophobicContact CG1-CB 3.83Å; I346-F411 HydrophobicContact CG1-CD2 4.2Å; I346-F411 PolarHBondContact N-O 3.17Å; I346-F411 PolarHBondContact O-N 3.32Å; I346-V413 HydrophobicContact CD1-CG2 3.98Å; I346-V413 HydrophobicContact CG1-CG2 3.85Å; I346-V413 HydrophobicContact CG2-CG2 4.03Å |
| 347 | A | 98.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M279 M282 L332 W333 I408 M409 M410 | M279-A347 HydrophobicContact SD-CB 4.27Å; M282-A347 HydrophobicContact CE-CB 4.22Å; M282-A347 HydrophobicContact CG-CB 4.24Å; L332-A347 WeakPolarHBondContact CA-O 3.42Å; W333-A347 HydrophobicContact CB-CB 4.23Å; W333-A347 PolarHBondContact N-O 2.7Å; W333-A347 PolarHBondContact O-N 3.43Å; A347-I408 HydrophobicContact CB-CD1 4.05Å; A347-I408 HydrophobicContact CB-CG1 4.35Å; A347-M409 WeakPolarHBondContact CA-O 3.31Å; A347-M410 HydrophobicContact CB-CG 3.87Å |
| 348 | C | 98.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.5 | 171.9 | -67.7 | 0 | 0 | 0 | 0 | 108.9 | V330 Q331 F367 I403 I408 M409 | V330-C348 HydrophobicContact CG1-CB 3.79Å; Q331-C348 WeakPolarHBondContact O-CA 3.37Å; C348-F367 VanDerWaalsContact SG-CZ 3.58Å; C348-I403 HydrophobicContact CB-CD1 3.52Å; C348-I408 CarbonylContact O-C 3.43Å; C348-I408 VanDerWaalsContact O-CA 3.27Å; C348-I408 WeakPolarHBondContact O-CA 3.38Å; C348-M409 PolarHBondContact N-O 2.95Å; C348-M409 PolarHBondContact O-N 2.98Å |
| 349 | I | 98.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.3 | 177.8 | -50.5 | 171.5 | 0 | 0 | 0 | 109 | I236 V275 M279 V330 Q331 T351 G407 I408 | I236-I349 HydrophobicContact CG2-CD1 4.07Å; V275-I349 HydrophobicContact CG1-CD1 4.38Å; V275-I349 HydrophobicContact CG1-CG2 4.16Å; V275-I349 HydrophobicContact CG2-CG2 4.2Å; M279-I349 HydrophobicContact CE-CD1 4.12Å; M279-I349 HydrophobicContact CG-CD1 3.57Å; M279-I349 HydrophobicContact CG-CG1 4.4Å; M279-I349 HydrophobicContact SD-CD1 3.49Å; M279-I349 WeakPolarHBondContact SD-CD1 3.49Å; M279-I349 HydrophobicContact SD-CG1 4.06Å; V330-I349 CarbonylContact C-O 3.4Å; V330-I349 WeakPolarHBondContact CA-O 3.27Å; Q331-I349 HydrophobicContact CB-CB 4.34Å; Q331-I349 PolarHBondContact N-O 3.28Å; Q331-I349 PolarHBondContact O-N 2.57Å; I349-T351 HydrophobicContact CG2-CG2 4.37Å; I349-T351 PolarHBondContact O-N 3.17Å; I349-G407 WeakPolarHBondContact CA-O 3.26Å; I349-I408 HydrophobicContact CG1-CB 4.45Å; I349-I408 HydrophobicContact CG1-CD1 4.01Å; I349-I408 HydrophobicContact CG1-CG1 4.02Å |
| 350 | Y | 98.7 | Very high | 92.1 | Very high | 22 Ų | 22 | 44 Ų | 44 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 109.4 | 172.2 | -173 | -148.6 | 0 | 0 | 0 | 110.3 | D329 V330 R352 I358 P405 S406 G407 | D329-Y350 HydrophobicContact CB-CD2 4.16Å; D329-Y350 HydrophobicContact CB-CE2 3.9Å; V330-Y350 HydrophobicContact CG2-CD2 3.87Å; Y350-R352 VanDerWaalsContact C-N 3.33Å; Y350-R352 HydrophobicContact CD1-CB 4.48Å; Y350-R352 HydrophobicContact CD2-CB 4.4Å; Y350-R352 HydrophobicContact CD2-CG 4.39Å; Y350-R352 HydrophobicContact CE1-CB 4.05Å; Y350-R352 HydrophobicContact CE1-CG 4.46Å; Y350-R352 HydrophobicContact CE2-CB 4Å; Y350-R352 HydrophobicContact CE2-CG 3.68Å; Y350-R352 PolarHBondContact O-N 2.9Å; Y350-R352 WeakPolarHBondContact OH-CD 3.11Å; Y350-I358 HydrophobicContact CD1-CB 4.32Å; Y350-I358 HydrophobicContact CD1-CG2 3.68Å; Y350-I358 HydrophobicContact CD2-CG2 3.83Å; Y350-I358 HydrophobicContact CE1-CB 3.93Å; Y350-I358 HydrophobicContact CE1-CG2 3.8Å; Y350-I358 HydrophobicContact CE2-CB 4.17Å; Y350-I358 HydrophobicContact CE2-CD1 4.18Å; Y350-I358 HydrophobicContact CE2-CG2 3.92Å; Y350-I358 HydrophobicContact CG-CG2 3.7Å; Y350-P405 HydrophobicContact CD1-CB 4.47Å; Y350-P405 HydrophobicContact CD1-CG 4.44Å; Y350-P405 HydrophobicContact CE1-CG 4.22Å; Y350-S406 WeakPolarHBondContact O-CA 3.36Å; Y350-S406 PolarHBondContact O-N 2.87Å; Y350-G407 PolarHBondContact N-O 3.35Å |
| 351 | T | 97.9 | Very high | 94 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | trans | -83.5 | -5.7 | -168.6 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | D329 Q331 I349 | D329-T351 PolarHBondContact O-N 3.04Å; D329-T351 PolarHBondContact O-OG1 3.48Å; Q331-T351 HydrophobicContact CG-CG2 3.69Å; I349-T351 HydrophobicContact CG2-CG2 4.37Å; I349-T351 PolarHBondContact O-N 3.17Å | ||
| 352 | R | 97.2 | Very high | 96 | Very high | 95 Ų | 95 | 39.1 Ų | 39.1 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | trans | -63.7 | 143 | 170.1 | -71.7 | -163 | 70.9 | 102 | -1.2 | 110.5 | D329 Y350 D354 P405 S406 | D329-R352 HydrophobicContact CB-CG 3.89Å; Y350-R352 VanDerWaalsContact C-N 3.33Å; Y350-R352 HydrophobicContact CD1-CB 4.48Å; Y350-R352 HydrophobicContact CD2-CB 4.4Å; Y350-R352 HydrophobicContact CD2-CG 4.39Å; Y350-R352 HydrophobicContact CE1-CB 4.05Å; Y350-R352 HydrophobicContact CE1-CG 4.46Å; Y350-R352 HydrophobicContact CE2-CB 4Å; Y350-R352 HydrophobicContact CE2-CG 3.68Å; Y350-R352 PolarHBondContact O-N 2.9Å; Y350-R352 WeakPolarHBondContact OH-CD 3.11Å; R352-D354 IonicContact CZ-OD1 3.91Å; R352-D354 VanDerWaalsContact CZ-OD1 3.31Å; R352-D354 PolarHBondContact NE-O 3.42Å; R352-D354 IonicContact NE-OD1 2.65Å; R352-D354 PolarHBondContact NE-OD1 2.76Å; R352-D354 VanDerWaalsContact NH2-CG 3.28Å; R352-D354 IonicContact NH2-OD1 3.11Å; R352-D354 PolarHBondContact NH2-OD1 3.39Å; R352-D354 IonicContact NH2-OD2 3.08Å; R352-D354 PolarHBondContact NH2-OD2 3.23Å; R352-D354 VanDerWaalsContact NH2-OD2 3.11Å; R352-P405 CarbonylContact O-C 3.55Å; R352-P405 WeakPolarHBondContact O-CA 3.35Å; R352-P405 WeakPolarHBondContact O-CB 3.49Å; R352-S406 PolarHBondContact O-N 3.27Å; R352-S406 PolarHBondContact O-OG 3.07Å | ||
| 353 | V | 95.6 | Very high | 97.1 | Very high | 98 Ų | 98 | 37.9 Ų | 37.9 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -105.4 | -4.3 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | W229 | W229-V353 VanDerWaalsContact NE1-CG1 3.28Š|
| 354 | D | 93.5 | Very high | 97.5 | Very high | 88 Ų | 88 | 37.8 Ų | 37.8 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -139.2 | 166.8 | -175.6 | 69.6 | -28.5 | 0 | 0 | 0 | 110.6 | R352 | R352-D354 IonicContact CZ-OD1 3.91Å; R352-D354 VanDerWaalsContact CZ-OD1 3.31Å; R352-D354 PolarHBondContact NE-O 3.42Å; R352-D354 IonicContact NE-OD1 2.65Å; R352-D354 PolarHBondContact NE-OD1 2.76Å; R352-D354 VanDerWaalsContact NH2-CG 3.28Å; R352-D354 IonicContact NH2-OD1 3.11Å; R352-D354 PolarHBondContact NH2-OD1 3.39Å; R352-D354 IonicContact NH2-OD2 3.08Å; R352-D354 PolarHBondContact NH2-OD2 3.23Å; R352-D354 VanDerWaalsContact NH2-OD2 3.11Å |
| 355 | G | 92.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 69% | 0.691 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 89.6 | -160.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P405 | G355-P405 WeakPolarHBondContact O-CG 3.34Š|
| 356 | G | 95.7 | Very high | 97.5 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | trans | -100.6 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P405 | G356-P405 WeakPolarHBondContact O-CG 3.26Š| ||
| 357 | P | 97.4 | Very high | 97.5 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | trans | -61.5 | 150.6 | 173.6 | 27.5 | -34.7 | 0 | 0 | 0 | 111.7 | I403 | P357-I403 CarbonylContact C-O 3.59Å; P357-I403 VanDerWaalsContact CA-O 3.22Å; P357-I403 WeakPolarHBondContact CA-O 3.46Å | ||
| 358 | I | 98.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 137.8 | 169.6 | -170.9 | 170.4 | 0 | 0 | 0 | 110 | N328 V330 Y350 F360 P402 I403 | N328-I358 HydrophobicContact CB-CD1 4.01Å; V330-I358 HydrophobicContact CG2-CD1 4.33Å; V330-I358 HydrophobicContact CG2-CG2 4.21Å; Y350-I358 HydrophobicContact CD1-CB 4.32Å; Y350-I358 HydrophobicContact CD1-CG2 3.68Å; Y350-I358 HydrophobicContact CD2-CG2 3.83Å; Y350-I358 HydrophobicContact CE1-CB 3.93Å; Y350-I358 HydrophobicContact CE1-CG2 3.8Å; Y350-I358 HydrophobicContact CE2-CB 4.17Å; Y350-I358 HydrophobicContact CE2-CD1 4.18Å; Y350-I358 HydrophobicContact CE2-CG2 3.92Å; Y350-I358 HydrophobicContact CG-CG2 3.7Å; I358-F360 HydrophobicContact CG2-CB 4.41Å; I358-F360 PolarHBondContact O-N 3.02Å; I358-P402 WeakPolarHBondContact O-CA 3.36Å; I358-I403 HydrophobicContact CG2-CB 4.06Å; I358-I403 PolarHBondContact N-O 3.04Å; I358-I403 PolarHBondContact O-N 3.32Å |
| 359 | N | 98.4 | Very high | 97.3 | Very high | 118 Ų | 118 | 49.2 Ų | 49.2 | 63% | 0.631 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 89.5 | 163.9 | -79.5 | -25.5 | 0 | 0 | 0 | 108.3 | T361 T400 | N359-T361 PolarHBondContact O-N 3.38Å; N359-T400 HydrophobicContact CB-CG2 3.66Å |
| 360 | F | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 109.1 | -175.7 | -175.2 | -103.7 | 0 | 0 | 0 | 110.8 | R327 V330 L332 I358 T362 I401 I403 | R327-F360 HydrophobicContact CB-CE2 4.21Å; R327-F360 HydrophobicContact CB-CZ 4.41Å; R327-F360 HydrophobicContact CG-CE2 4.31Å; V330-F360 HydrophobicContact CB-CD2 3.92Å; V330-F360 HydrophobicContact CB-CE2 3.84Å; V330-F360 HydrophobicContact CB-CG 4.35Å; V330-F360 HydrophobicContact CB-CZ 4.22Å; V330-F360 HydrophobicContact CG1-CD1 4.26Å; V330-F360 HydrophobicContact CG1-CD2 4.35Å; V330-F360 HydrophobicContact CG1-CE1 4.28Å; V330-F360 HydrophobicContact CG1-CE2 4.37Å; V330-F360 HydrophobicContact CG1-CG 4.3Å; V330-F360 HydrophobicContact CG1-CZ 4.34Å; V330-F360 HydrophobicContact CG2-CB 4.35Å; V330-F360 HydrophobicContact CG2-CD2 3.58Å; V330-F360 HydrophobicContact CG2-CE2 4.01Å; V330-F360 HydrophobicContact CG2-CG 3.99Å; L332-F360 HydrophobicContact CD1-CE1 3.78Å; L332-F360 HydrophobicContact CD1-CZ 3.65Å; L332-F360 HydrophobicContact CD2-CE1 4.43Å; L332-F360 HydrophobicContact CD2-CZ 4.48Å; L332-F360 HydrophobicContact CG-CE1 4.44Å; I358-F360 HydrophobicContact CG2-CB 4.41Å; I358-F360 PolarHBondContact O-N 3.02Å; F360-T362 HydrophobicContact CD1-CG2 4.21Å; F360-T362 HydrophobicContact CE1-CG2 4.01Å; F360-I401 HydrophobicContact CD1-CD1 4.43Å; F360-I401 PolarHBondContact N-O 3.47Å; F360-I401 PolarHBondContact O-N 2.98Å; F360-I403 HydrophobicContact CB-CD1 4.14Å |
| 361 | T | 98.6 | Very high | 96.8 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 133.8 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | R327 N359 N398 F399 T400 | R327-T361 PolarHBondContact NH2-O 3.4Å; N359-T361 PolarHBondContact O-N 3.38Å; T361-N398 HydrophobicContact CG2-CB 3.89Å; T361-F399 VanDerWaalsContact CA-O 3.32Å; T361-F399 WeakPolarHBondContact CA-O 3.24Å; T361-T400 PolarHBondContact OG1-OG1 3.47Å |
| 362 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 176.1 | 176.8 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | F360 E366 F367 N398 F399 I401 | F360-T362 HydrophobicContact CD1-CG2 4.21Å; F360-T362 HydrophobicContact CE1-CG2 4.01Å; T362-E366 PolarHBondContact OG1-OE1 2.99Å; T362-F367 HydrophobicContact CG2-CE2 3.82Å; T362-F367 HydrophobicContact CG2-CZ 4.22Å; T362-N398 CarbonylContact O-C 3.38Å; T362-N398 VanDerWaalsContact O-CA 3.31Å; T362-N398 WeakPolarHBondContact O-CA 3.42Å; T362-F399 HydrophobicContact CG2-CE1 4.43Å; T362-F399 HydrophobicContact CG2-CE2 3.95Å; T362-F399 HydrophobicContact CG2-CZ 3.89Å; T362-F399 PolarHBondContact N-O 2.97Å; T362-F399 WeakPolarHBondContact O-CD1 3.1Å; T362-F399 PolarHBondContact O-N 3.36Å; T362-F399 VanDerWaalsContact O-O 3.11Å; T362-I401 HydrophobicContact CG2-CD1 3.81Å |
| 363 | N | 98.3 | Very high | 96.5 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | trans | -131.8 | 176.4 | 165.6 | 58.9 | 65.2 | 0 | 0 | 0 | 110.5 | D365 E366 F367 E397 N398 | N363-D365 WeakPolarHBondContact OD1-CB 3.39Å; N363-D365 PolarHBondContact OD1-N 2.66Å; N363-E366 PolarHBondContact O-N 2.87Å; N363-E366 WeakPolarHBondContact OD1-CG 3.46Å; N363-E366 PolarHBondContact OD1-N 2.64Å; N363-E366 VanDerWaalsContact OD1-N 3.11Å; N363-F367 VanDerWaalsContact O-CD2 3.29Å; N363-F367 WeakPolarHBondContact O-CD2 3.12Å; N363-F367 WeakPolarHBondContact O-CE2 3.47Å; N363-E397 VanDerWaalsContact CB-O 3.28Å; N363-E397 WeakPolarHBondContact CB-O 3.35Å; N363-N398 PolarHBondContact ND2-OD1 2.84Å | ||
| 364 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -73.9 | -32.1 | -177 | -68.7 | 177.8 | 0 | 0 | 0 | 113.3 | I346 E366 F367 I374 F379 L381 V393 L395 F399 V413 | I346-L364 HydrophobicContact CD1-CD2 3.82Å; L364-E366 PolarHBondContact O-N 2.96Å; L364-F367 PolarHBondContact O-N 3.36Å; L364-I374 HydrophobicContact CB-CD1 4.14Å; L364-I374 HydrophobicContact CD2-CD1 4.02Å; L364-F379 HydrophobicContact CD1-CB 3.72Å; L364-F379 HydrophobicContact CD1-CD1 4.34Å; L364-F379 HydrophobicContact CD1-CD2 3.37Å; L364-F379 HydrophobicContact CD1-CE2 4.05Å; L364-F379 HydrophobicContact CD1-CG 3.54Å; L364-L381 HydrophobicContact CD1-CD2 4.25Å; L364-L381 HydrophobicContact CD2-CD2 3.98Å; L364-V393 HydrophobicContact CD1-CG2 3.7Å; L364-V393 HydrophobicContact CG-CG2 4.1Å; L364-L395 WeakPolarHBondContact CA-O 3.46Å; L364-L395 HydrophobicContact CB-CD1 3.93Å; L364-L395 WeakPolarHBondContact CB-O 3.39Å; L364-L395 PolarHBondContact N-O 3.17Å; L364-F399 HydrophobicContact CD2-CE1 4.25Å; L364-F399 HydrophobicContact CD2-CZ 4.2Å; L364-F399 HydrophobicContact CG-CE1 4.17Å; L364-V413 HydrophobicContact CD1-CG1 3.83Å; L364-V413 HydrophobicContact CD2-CG1 4.11Å; L364-V413 HydrophobicContact CD2-CG2 3.96Å |
| 365 | D | 97.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.6 | 174.8 | -172.7 | 60.1 | 0 | 0 | 0 | 112.2 | N363 F367 L395 T396 | N363-D365 WeakPolarHBondContact OD1-CB 3.39Å; N363-D365 PolarHBondContact OD1-N 2.66Å; D365-F367 PolarHBondContact O-N 2.61Å; D365-L395 HydrophobicContact CB-CG 4.2Å; D365-L395 PolarHBondContact N-O 2.79Å; D365-T396 HydrophobicContact CB-CG2 4.12Å |
| 366 | E | 98 | Very high | 96.2 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22 | 174.1 | -68.1 | -150.6 | -116.8 | 0 | 0 | 114.3 | V324 K325 R327 T362 N363 L364 K368 | V324-E366 VanDerWaalsContact CG1-O 3.24Å; V324-E366 WeakPolarHBondContact CG1-O 3.09Å; K325-E366 VanDerWaalsContact CE-O 3.28Å; K325-E366 WeakPolarHBondContact CE-O 3.36Å; K325-E366 PolarHBondContact NZ-O 3.18Å; K325-E366 IonicContact NZ-OE2 2.87Å; K325-E366 PolarHBondContact NZ-OE2 2.94Å; R327-E366 IonicContact CZ-OE1 3.19Å; R327-E366 IonicContact CZ-OE2 3.31Å; R327-E366 IonicContact NH1-OE1 2.76Å; R327-E366 PolarHBondContact NH1-OE1 2.92Å; R327-E366 IonicContact NH1-OE2 3.46Å; R327-E366 PolarHBondContact NH1-OE2 3.22Å; R327-E366 IonicContact NH2-OE1 3.57Å; R327-E366 PolarHBondContact NH2-OE1 2.94Å; R327-E366 IonicContact NH2-OE2 2.81Å; T362-E366 PolarHBondContact OG1-OE1 2.99Å; N363-E366 PolarHBondContact O-N 2.87Å; N363-E366 WeakPolarHBondContact OD1-CG 3.46Å; N363-E366 PolarHBondContact OD1-N 2.64Å; N363-E366 VanDerWaalsContact OD1-N 3.11Å; L364-E366 PolarHBondContact O-N 2.96Å; E366-K368 PolarHBondContact O-N 3.47Å; E366-K368 VanDerWaalsContact O-N 3.13Å |
| 367 | F | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | trans | -86.6 | 56.8 | 175.7 | -65.8 | -93.6 | 0 | 0 | 0 | 110.8 | L332 I334 I346 C348 T362 N363 L364 D365 I374 | L332-F367 HydrophobicContact CB-CD1 4.24Å; L332-F367 HydrophobicContact CB-CE1 3.91Å; L332-F367 HydrophobicContact CD2-CD1 4.41Å; L332-F367 HydrophobicContact CD2-CE1 4.02Å; L332-F367 HydrophobicContact CD2-CE2 4.38Å; L332-F367 HydrophobicContact CD2-CZ 4Å; L332-F367 HydrophobicContact CG-CD1 4.37Å; L332-F367 HydrophobicContact CG-CE1 3.7Å; L332-F367 HydrophobicContact CG-CZ 3.95Å; I334-F367 HydrophobicContact CB-CB 4.36Å; I334-F367 HydrophobicContact CD1-CB 4.09Å; I334-F367 WeakPolarHBondContact CD1-O 3.23Å; I346-F367 HydrophobicContact CB-CD1 3.68Å; I346-F367 HydrophobicContact CB-CE1 3.7Å; I346-F367 HydrophobicContact CB-CG 4.19Å; I346-F367 HydrophobicContact CB-CZ 4.21Å; I346-F367 HydrophobicContact CD1-CD2 4.12Å; I346-F367 HydrophobicContact CD1-CE1 4.21Å; I346-F367 HydrophobicContact CD1-CE2 3.77Å; I346-F367 HydrophobicContact CD1-CG 4.48Å; I346-F367 HydrophobicContact CD1-CZ 3.81Å; I346-F367 HydrophobicContact CG1-CE1 4.42Å; I346-F367 HydrophobicContact CG1-CZ 4.47Å; I346-F367 HydrophobicContact CG2-CB 3.95Å; I346-F367 HydrophobicContact CG2-CD1 3.58Å; I346-F367 HydrophobicContact CG2-CD2 4.32Å; I346-F367 HydrophobicContact CG2-CE1 4.13Å; I346-F367 HydrophobicContact CG2-CG 3.69Å; C348-F367 VanDerWaalsContact SG-CZ 3.58Å; T362-F367 HydrophobicContact CG2-CE2 3.82Å; T362-F367 HydrophobicContact CG2-CZ 4.22Å; N363-F367 VanDerWaalsContact O-CD2 3.29Å; N363-F367 WeakPolarHBondContact O-CD2 3.12Å; N363-F367 WeakPolarHBondContact O-CE2 3.47Å; L364-F367 PolarHBondContact O-N 3.36Å; D365-F367 PolarHBondContact O-N 2.61Å; F367-I374 HydrophobicContact CB-CD1 4.05Å | ||
| 368 | K | 96.5 | Very high | 95.9 | Very high | 125 Ų | 125 | 53.6 Ų | 53.6 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | trans | -111 | 123.9 | 174.2 | -177.4 | 175.3 | -178.8 | 177.2 | 0 | 109.9 | E366 T373 | E366-K368 PolarHBondContact O-N 3.47Å; E366-K368 VanDerWaalsContact O-N 3.13Å; K368-T373 HydrophobicContact CD-CG2 4.32Å; K368-T373 WeakPolarHBondContact CE-OG1 3.35Å; K368-T373 HydrophobicContact CG-CG2 4.43Å | ||
| 369 | S | 96.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | trans | -115.1 | -172 | 179.7 | 86.1 | 0 | 0 | 0 | 0 | 110.7 | E322 Y372 | E322-S369 VanDerWaalsContact CD-OG 3.28Å; E322-S369 WeakPolarHBondContact OE2-CB 3.36Å; E322-S369 PolarHBondContact OE2-OG 2.95Å; S369-Y372 PolarHBondContact N-O 3.45Å; S369-Y372 PolarHBondContact OG-N 3.44Å; S369-Y372 VanDerWaalsContact OG-N 3.11Å | ||
| 370 | Q | 93.4 | Very high | 95.6 | Very high | 150 Ų | 150 | 48.3 Ų | 48.3 | 70% | 0.701 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -69.4 | -44 | 178.2 | -66.2 | -174.8 | -3.9 | 0 | 0 | 111.3 | E322 | E322-Q370 PolarHBondContact OE2-N 3.38Š|
| 371 | M | 94.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 42% | 0.419 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -91.7 | -23.4 | -179.8 | -66.7 | 169.1 | 64.5 | 0 | 0 | 114 | P247 K248 E322 | P247-M371 HydrophobicContact CB-SD 4.11Å; K248-M371 HydrophobicContact CG-SD 3.8Å; E322-M371 WeakPolarHBondContact OE1-CB 3.4Å; E322-M371 WeakPolarHBondContact OE1-CG 3.21Å; E322-M371 PolarHBondContact OE1-N 3.2Å; E322-M371 VanDerWaalsContact OE1-N 3.16Å; E322-M371 PolarHBondContact OE2-N 3.02Å |
| 372 | Y | 94.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | trans | -123.8 | 134.7 | -169.1 | -49.8 | -43.8 | 0 | 0 | 0 | 112.8 | Q320 E322 I334 K336 S369 | Q320-Y372 WeakPolarHBondContact O-CE2 3.12Å; Q320-Y372 PolarHBondContact O-OH 2.82Å; E322-Y372 HydrophobicContact CB-CD2 4.31Å; E322-Y372 HydrophobicContact CB-CE2 4.39Å; E322-Y372 HydrophobicContact CG-CD2 4.27Å; E322-Y372 HydrophobicContact CG-CE2 4.03Å; I334-Y372 HydrophobicContact CG2-CD2 4.26Å; K336-Y372 HydrophobicContact CB-CD1 3.69Å; K336-Y372 HydrophobicContact CB-CE1 3.88Å; K336-Y372 HydrophobicContact CB-CG 4.16Å; K336-Y372 HydrophobicContact CD-CD1 4.42Å; S369-Y372 PolarHBondContact N-O 3.45Å; S369-Y372 PolarHBondContact OG-N 3.44Å; S369-Y372 VanDerWaalsContact OG-N 3.11Å | ||
| 373 | T | 94.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | trans | -133 | 134.5 | 169.9 | -60.5 | 0 | 0 | 0 | 0 | 107.7 | W344 K368 | W344-T373 PolarHBondContact NE1-O 3.06Å; K368-T373 HydrophobicContact CD-CG2 4.32Å; K368-T373 WeakPolarHBondContact CE-OG1 3.35Å; K368-T373 HydrophobicContact CG-CG2 4.43Å | ||
| 374 | I | 94.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | trans | -76.7 | 125.6 | 173 | -59.3 | -177.5 | 0 | 0 | 0 | 108.1 | I334 W344 I346 L364 F367 F379 L395 V413 | I334-I374 HydrophobicContact CD1-CD1 3.87Å; I334-I374 HydrophobicContact CD1-CG1 3.52Å; W344-I374 HydrophobicContact CB-CD1 4.45Å; W344-I374 HydrophobicContact CB-CG1 4.36Å; W344-I374 HydrophobicContact CD2-CB 4.27Å; W344-I374 HydrophobicContact CD2-CG1 3.88Å; W344-I374 HydrophobicContact CD2-CG2 4.15Å; W344-I374 HydrophobicContact CE3-CB 4.44Å; W344-I374 HydrophobicContact CE3-CG1 4.35Å; W344-I374 HydrophobicContact CE3-CG2 3.81Å; W344-I374 HydrophobicContact CG-CD1 4.45Å; W344-I374 HydrophobicContact CG-CG1 3.85Å; W344-I374 HydrophobicContact CH2-CG2 4.31Å; W344-I374 HydrophobicContact CZ3-CG2 3.92Å; I346-I374 HydrophobicContact CG2-CD1 4.16Å; L364-I374 HydrophobicContact CB-CD1 4.14Å; L364-I374 HydrophobicContact CD2-CD1 4.02Å; F367-I374 HydrophobicContact CB-CD1 4.05Å; I374-F379 HydrophobicContact CG2-CD1 4.36Å; I374-F379 HydrophobicContact CG2-CE1 3.63Å; I374-F379 HydrophobicContact CG2-CE2 4.32Å; I374-F379 HydrophobicContact CG2-CZ 3.6Å; I374-L395 HydrophobicContact CB-CD1 4.05Å; I374-L395 HydrophobicContact CG2-CD1 3.84Å; I374-V413 HydrophobicContact CG2-CG1 4.46Å | ||
| 375 | S | 90.4 | Very high | 95.5 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | trans | -119.9 | 138.1 | -179.5 | 60 | 0 | 0 | 0 | 0 | 111.1 | W344 | W344-S375 VanDerWaalsContact CH2-O 3.26Å; W344-S375 WeakPolarHBondContact CH2-O 3.29Å | ||
| 376 | G | 90.2 | Very high | 95.5 | Very high | 45 Ų | 45 | 47.2 Ų | 47.2 | 46% | 0.464 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 131.1 | 171.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | F379 | G376-F379 VanDerWaalsContact C-CZ 3.42Å; G376-F379 WeakPolarHBondContact O-CE2 3.47Å; G376-F379 WeakPolarHBondContact O-CZ 3.21Å |
| 377 | D | 90.6 | Very high | 95.4 | Very high | 99 Ų | 99 | 46.7 Ų | 46.7 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -101.9 | -47.1 | -177.9 | 178.2 | 45.5 | 0 | 0 | 0 | 112.3 | R394 L395 | D377-R394 CarbonylContact O-C 3.52Å; D377-R394 WeakPolarHBondContact O-CA 3.26Å; D377-R394 WeakPolarHBondContact O-CB 3.41Å; D377-R394 IonicContact OD1-NH1 3.71Å; D377-R394 PolarHBondContact OD1-NH1 3.03Å; D377-R394 IonicContact OD2-CZ 3.33Å; D377-R394 IonicContact OD2-NH1 2.95Å; D377-R394 PolarHBondContact OD2-NH1 3.27Å; D377-L395 PolarHBondContact O-N 3.01Å |
| 378 | K | 95.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.9 | -176 | -165.5 | -175.1 | 177.9 | -172.6 | 0 | 111.2 | F416 | K378-F416 HydrophobicContact CB-CD2 4.03Å; K378-F416 HydrophobicContact CD-CD2 3.89Å; K378-F416 HydrophobicContact CD-CE2 3.94Å; K378-F416 HydrophobicContact CD-CG 4.22Å; K378-F416 HydrophobicContact CD-CZ 4.33Å; K378-F416 HydrophobicContact CG-CD2 3.64Å; K378-F416 HydrophobicContact CG-CE2 3.82Å; K378-F416 HydrophobicContact CG-CG 4.33Å; K378-F416 PolarHBondContact O-N 2.94Å |
| 379 | F | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145 | -174.8 | -53.1 | -92.8 | 0 | 0 | 0 | 111.6 | W344 L364 I374 G376 D392 V393 L395 V413 N414 P415 F416 | W344-F379 AromaticContact CZ3-CE1 3.89Å; W344-F379 HydrophobicContact CZ3-CE1 3.89Å; L364-F379 HydrophobicContact CD1-CB 3.72Å; L364-F379 HydrophobicContact CD1-CD1 4.34Å; L364-F379 HydrophobicContact CD1-CD2 3.37Å; L364-F379 HydrophobicContact CD1-CE2 4.05Å; L364-F379 HydrophobicContact CD1-CG 3.54Å; I374-F379 HydrophobicContact CG2-CD1 4.36Å; I374-F379 HydrophobicContact CG2-CE1 3.63Å; I374-F379 HydrophobicContact CG2-CE2 4.32Å; I374-F379 HydrophobicContact CG2-CZ 3.6Å; G376-F379 VanDerWaalsContact C-CZ 3.42Å; G376-F379 WeakPolarHBondContact O-CE2 3.47Å; G376-F379 WeakPolarHBondContact O-CZ 3.21Å; F379-D392 CarbonylContact O-C 3.56Å; F379-D392 VanDerWaalsContact O-CA 3.32Å; F379-D392 WeakPolarHBondContact O-CA 3.47Å; F379-V393 PolarHBondContact N-O 2.64Å; F379-V393 PolarHBondContact O-N 2.86Å; F379-L395 HydrophobicContact CE2-CB 3.99Å; F379-L395 HydrophobicContact CE2-CD1 4.05Å; F379-L395 HydrophobicContact CZ-CD1 4.25Å; F379-V413 HydrophobicContact CB-CG1 3.97Å; F379-V413 HydrophobicContact CD1-CG1 3.67Å; F379-V413 HydrophobicContact CE1-CG1 4.44Å; F379-V413 HydrophobicContact CG-CG1 3.98Å; F379-N414 CarbonylContact C-O 3.43Å; F379-N414 WeakPolarHBondContact CA-O 3.3Å; F379-P415 HydrophobicContact CD1-CB 4Å; F379-P415 HydrophobicContact CE1-CB 4Å; F379-F416 VanDerWaalsContact C-CE2 3.46Å |
| 380 | E | 95.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 54.5 Ų | 54.5 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.5 | 163.9 | 177.1 | -164.8 | -105.9 | 0 | 0 | 108.4 | L382 R389 N414 F416 | E380-L382 HydrophobicContact CG-CD2 3.89Å; E380-L382 HydrophobicContact CG-CG 4.26Å; E380-L382 WeakPolarHBondContact OE2-CD2 3.39Å; E380-L382 WeakPolarHBondContact OE2-CG 3.37Å; E380-R389 HydrophobicContact CG-CG 4.1Å; E380-R389 IonicContact OE1-CZ 3.82Å; E380-R389 IonicContact OE1-NE 3.69Å; E380-R389 PolarHBondContact OE1-NE 2.75Å; E380-R389 VanDerWaalsContact OE1-NE 3.08Å; E380-R389 IonicContact OE1-NH1 3.5Å; E380-R389 IonicContact OE1-NH2 3.71Å; E380-R389 PolarHBondContact OE1-NH2 3.43Å; E380-N414 HydrophobicContact CB-CB 4.37Å; E380-N414 PolarHBondContact N-O 3.03Å; E380-N414 PolarHBondContact O-N 3.06Å; E380-N414 PolarHBondContact OE2-ND2 3.12Å; E380-F416 HydrophobicContact CB-CE2 4.08Å; E380-F416 HydrophobicContact CB-CZ 4.46Å |
| 381 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.1 | 170.3 | -53 | -174.6 | 0 | 0 | 0 | 109.1 | L364 F390 K391 V393 F399 F411 V413 | L364-L381 HydrophobicContact CD1-CD2 4.25Å; L364-L381 HydrophobicContact CD2-CD2 3.98Å; L381-F390 HydrophobicContact CB-CB 4.39Å; L381-F390 HydrophobicContact CB-CD1 4.35Å; L381-F390 HydrophobicContact CD1-CD1 4.32Å; L381-F390 WeakPolarHBondContact O-CB 3.25Å; L381-F390 PolarHBondContact O-N 2.87Å; L381-K391 VanDerWaalsContact CB-O 3.31Å; L381-K391 WeakPolarHBondContact CB-O 3.36Å; L381-K391 PolarHBondContact N-O 2.92Å; L381-K391 PolarHBondContact O-N 3.18Å; L381-V393 HydrophobicContact CD1-CG1 4.25Å; L381-V393 HydrophobicContact CD1-CG2 3.88Å; L381-V393 HydrophobicContact CD2-CG2 4.2Å; L381-V393 HydrophobicContact CG-CG2 3.94Å; L381-F399 HydrophobicContact CD1-CD1 4.31Å; L381-F399 HydrophobicContact CD1-CD2 4.08Å; L381-F399 HydrophobicContact CD1-CE1 4.01Å; L381-F399 HydrophobicContact CD1-CE2 3.73Å; L381-F399 HydrophobicContact CD1-CG 4.35Å; L381-F399 HydrophobicContact CD1-CZ 3.71Å; L381-F411 HydrophobicContact CB-CB 4.4Å; L381-F411 HydrophobicContact CB-CD1 4.31Å; L381-F411 HydrophobicContact CB-CG 4.48Å; L381-V413 HydrophobicContact CD2-CB 4.31Å; L381-V413 HydrophobicContact CD2-CG1 4.09Å; L381-V413 HydrophobicContact CD2-CG2 3.94Å |
| 382 | L | 96.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.5 | 170.3 | -58.8 | -179.9 | 0 | 0 | 0 | 109.6 | E380 V384 D388 R389 F411 R412 N414 | E380-L382 HydrophobicContact CG-CD2 3.89Å; E380-L382 HydrophobicContact CG-CG 4.26Å; E380-L382 WeakPolarHBondContact OE2-CD2 3.39Å; E380-L382 WeakPolarHBondContact OE2-CG 3.37Å; L382-V384 PolarHBondContact O-N 3Å; L382-D388 CarbonylContact C-O 3.42Å; L382-D388 WeakPolarHBondContact CA-O 3.19Å; L382-R389 HydrophobicContact CD2-CB 4.02Å; L382-R389 HydrophobicContact CD2-CG 4.44Å; L382-F411 CarbonylContact O-C 3.38Å; L382-F411 WeakPolarHBondContact O-CA 3.37Å; L382-R412 HydrophobicContact CB-CB 4.28Å; L382-R412 PolarHBondContact N-O 3.2Å; L382-R412 PolarHBondContact O-N 2.68Å; L382-N414 VanDerWaalsContact CD1-ND2 3.32Å; L382-N414 WeakPolarHBondContact CD1-ND2 3.29Å |
| 383 | D | 98.3 | Very high | 96 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 121.2 | 170.2 | -174.4 | -42.3 | 0 | 0 | 0 | 108.9 | F385 T386 G387 D388 M409 F411 | D383-F385 VanDerWaalsContact C-N 3.33Å; D383-F385 PolarHBondContact O-N 3.43Å; D383-F385 WeakPolarHBondContact OD1-CA 3.48Å; D383-F385 WeakPolarHBondContact OD1-CB 3.38Å; D383-F385 PolarHBondContact OD1-N 2.95Å; D383-T386 PolarHBondContact OD1-N 2.85Å; D383-G387 WeakPolarHBondContact O-CA 3.48Å; D383-G387 PolarHBondContact O-N 3.22Å; D383-D388 PolarHBondContact N-O 2.97Å; D383-M409 WeakPolarHBondContact OD2-CE 3.1Å; D383-F411 HydrophobicContact CB-CE1 4.36Å |
| 384 | V | 98.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -28.3 | -176.1 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | N306 H308 L309 I312 L382 M410 R412 | N306-V384 PolarHBondContact ND2-O 2.81Å; N306-V384 PolarHBondContact OD1-O 3.48Å; H308-V384 HydrophobicContact CB-CG1 3.96Å; H308-V384 WeakPolarHBondContact CB-O 3.33Å; L309-V384 HydrophobicContact CB-CG1 4.49Å; L309-V384 HydrophobicContact CD2-CG1 3.54Å; L309-V384 HydrophobicContact CG-CG1 3.8Å; I312-V384 HydrophobicContact CD1-CB 4.36Å; I312-V384 HydrophobicContact CD1-CG1 3.68Å; I312-V384 HydrophobicContact CD1-CG2 3.68Å; L382-V384 PolarHBondContact O-N 3Å; V384-M410 HydrophobicContact CB-CB 3.82Å; V384-M410 HydrophobicContact CG1-CB 4.5Å; V384-M410 HydrophobicContact CG1-CE 4.42Å; V384-M410 HydrophobicContact CG2-CB 3.94Å; V384-M410 WeakPolarHBondContact CG2-O 3.39Å; V384-M410 PolarHBondContact N-O 3.04Å; V384-R412 HydrophobicContact CG2-CB 4.33Å |
| 385 | F | 98.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -34 | -178.5 | -65.3 | -74.3 | 0 | 0 | 0 | 112.5 | R274 L303 N306 L309 D383 I408 M410 | R274-F385 HydrophobicContact CB-CD1 4.4Å; R274-F385 HydrophobicContact CB-CE1 3.76Å; R274-F385 HydrophobicContact CB-CZ 3.96Å; R274-F385 HydrophobicContact CG-CD1 3.99Å; R274-F385 HydrophobicContact CG-CE1 3.85Å; R274-F385 HydrophobicContact CG-CZ 4.4Å; L303-F385 HydrophobicContact CD2-CD1 3.85Å; L303-F385 HydrophobicContact CD2-CE1 4.14Å; N306-F385 PolarHBondContact ND2-O 3.34Å; L309-F385 HydrophobicContact CD1-CD1 4.04Å; L309-F385 HydrophobicContact CD1-CE1 3.92Å; L309-F385 HydrophobicContact CD2-CE1 4.15Å; D383-F385 VanDerWaalsContact C-N 3.33Å; D383-F385 PolarHBondContact O-N 3.43Å; D383-F385 WeakPolarHBondContact OD1-CA 3.48Å; D383-F385 WeakPolarHBondContact OD1-CB 3.38Å; D383-F385 PolarHBondContact OD1-N 2.95Å; F385-I408 HydrophobicContact CE1-CG2 4.5Å; F385-I408 HydrophobicContact CE2-CG2 3.83Å; F385-I408 HydrophobicContact CZ-CG2 3.49Å; F385-I408 VanDerWaalsContact CZ-CG2 3.49Å; F385-M410 HydrophobicContact CD2-CB 4.38Å; F385-M410 HydrophobicContact CE1-SD 4.49Å; F385-M410 HydrophobicContact CE2-CB 3.77Å; F385-M410 HydrophobicContact CE2-CG 3.75Å; F385-M410 HydrophobicContact CE2-SD 4Å; F385-M410 HydrophobicContact CZ-CB 4.37Å; F385-M410 HydrophobicContact CZ-CG 4Å; F385-M410 HydrophobicContact CZ-SD 3.62Å |
| 386 | T | 97.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -26.4 | 179.3 | 73.5 | 0 | 0 | 0 | 0 | 113.4 | D383 D388 | D383-T386 PolarHBondContact OD1-N 2.85Å; T386-D388 WeakPolarHBondContact CB-OD2 3.34Å; T386-D388 WeakPolarHBondContact OG1-CB 3.4Å; T386-D388 VanDerWaalsContact OG1-CG 3.28Å; T386-D388 PolarHBondContact OG1-N 3.31Å; T386-D388 VanDerWaalsContact OG1-N 3.15Å; T386-D388 PolarHBondContact OG1-OD2 2.82Å |
| 387 | G | 95.8 | Very high | 97 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | trans | 81.9 | 0.5 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | H308 D383 | H308-G387 WeakPolarHBondContact NE2-CA 3.14Å; D383-G387 WeakPolarHBondContact O-CA 3.48Å; D383-G387 PolarHBondContact O-N 3.22Å | ||
| 388 | D | 97.8 | Very high | 97.3 | Very high | 103 Ų | 103 | 55 Ų | 55 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | trans | -80.5 | 151.4 | -176.9 | -59.1 | -47.3 | 0 | 0 | 0 | 111.7 | L382 D383 T386 F390 | L382-D388 CarbonylContact C-O 3.42Å; L382-D388 WeakPolarHBondContact CA-O 3.19Å; D383-D388 PolarHBondContact N-O 2.97Å; T386-D388 WeakPolarHBondContact CB-OD2 3.34Å; T386-D388 WeakPolarHBondContact OG1-CB 3.4Å; T386-D388 VanDerWaalsContact OG1-CG 3.28Å; T386-D388 PolarHBondContact OG1-N 3.31Å; T386-D388 VanDerWaalsContact OG1-N 3.15Å; T386-D388 PolarHBondContact OG1-OD2 2.82Å; D388-F390 PolarHBondContact O-N 3.03Å | ||
| 389 | R | 97.3 | Very high | 97.5 | Very high | 137 Ų | 137 | 51 Ų | 51 | 52% | 0.517 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 115.1 | 166.8 | -175.2 | -176 | -68.7 | -136.4 | 6.8 | 109 | E380 L382 D392 | E380-R389 HydrophobicContact CG-CG 4.1Å; E380-R389 IonicContact OE1-CZ 3.82Å; E380-R389 IonicContact OE1-NE 3.69Å; E380-R389 PolarHBondContact OE1-NE 2.75Å; E380-R389 VanDerWaalsContact OE1-NE 3.08Å; E380-R389 IonicContact OE1-NH1 3.5Å; E380-R389 IonicContact OE1-NH2 3.71Å; E380-R389 PolarHBondContact OE1-NH2 3.43Å; L382-R389 HydrophobicContact CD2-CB 4.02Å; L382-R389 HydrophobicContact CD2-CG 4.44Å; R389-D392 IonicContact CZ-OD1 3.25Å; R389-D392 IonicContact NE-OD1 4Å; R389-D392 IonicContact NH1-OD1 2.8Å; R389-D392 PolarHBondContact NH1-OD1 3.34Å; R389-D392 IonicContact NH1-OD2 3.26Å; R389-D392 PolarHBondContact NH1-OD2 3.34Å; R389-D392 VanDerWaalsContact NH1-OD2 3.13Å |
| 390 | F | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 54 Ų | 54 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -55.8 | 177.9 | 176.9 | -103.5 | 0 | 0 | 0 | 111.4 | L381 D388 F399 F411 | L381-F390 HydrophobicContact CB-CB 4.39Å; L381-F390 HydrophobicContact CB-CD1 4.35Å; L381-F390 HydrophobicContact CD1-CD1 4.32Å; L381-F390 WeakPolarHBondContact O-CB 3.25Å; L381-F390 PolarHBondContact O-N 2.87Å; D388-F390 PolarHBondContact O-N 3.03Å; F390-F399 HydrophobicContact CE1-CD2 4.14Å; F390-F411 HydrophobicContact CB-CD1 4.02Å; F390-F411 HydrophobicContact CB-CE1 3.69Å; F390-F411 HydrophobicContact CD1-CD1 4.21Å; F390-F411 AromaticContact CD1-CE1 3.58Å; F390-F411 HydrophobicContact CD1-CE1 3.58Å; F390-F411 AromaticContact CD1-CZ 3.9Å; F390-F411 HydrophobicContact CD1-CZ 3.9Å; F390-F411 AromaticContact CD2-CE1 3.75Å; F390-F411 HydrophobicContact CD2-CE1 3.75Å; F390-F411 HydrophobicContact CD2-CZ 4.16Å; F390-F411 HydrophobicContact CE1-CE1 4.12Å; F390-F411 AromaticContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE2-CE1 4.27Å; F390-F411 HydrophobicContact CE2-CZ 4.21Å; F390-F411 HydrophobicContact CG-CD1 4.12Å; F390-F411 AromaticContact CG-CE1 3.37Å; F390-F411 HydrophobicContact CG-CE1 3.37Å; F390-F411 HydrophobicContact CG-CZ 4Å; F390-F411 HydrophobicContact CZ-CE1 4.43Å; F390-F411 HydrophobicContact CZ-CZ 4.11Å |
| 391 | K | 97.7 | Very high | 97.7 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 148 | -179.2 | -160.1 | -178.3 | 168.6 | -160.9 | 0 | 111.4 | L381 V393 E397 F399 | L381-K391 VanDerWaalsContact CB-O 3.31Å; L381-K391 WeakPolarHBondContact CB-O 3.36Å; L381-K391 PolarHBondContact N-O 2.92Å; L381-K391 PolarHBondContact O-N 3.18Å; K391-V393 HydrophobicContact CB-CG1 4.21Å; K391-V393 HydrophobicContact CD-CG1 3.68Å; K391-V393 HydrophobicContact CG-CG1 3.91Å; K391-E397 IonicContact NZ-OE1 2.76Å; K391-E397 PolarHBondContact NZ-OE1 3.02Å; K391-F399 HydrophobicContact CD-CB 3.95Å |
| 392 | D | 97.7 | Very high | 97.7 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 132.1 | 162.3 | -63 | -6.3 | 0 | 0 | 0 | 109 | F379 R389 F416 | F379-D392 CarbonylContact O-C 3.56Å; F379-D392 VanDerWaalsContact O-CA 3.32Å; F379-D392 WeakPolarHBondContact O-CA 3.47Å; R389-D392 IonicContact CZ-OD1 3.25Å; R389-D392 IonicContact NE-OD1 4Å; R389-D392 IonicContact NH1-OD1 2.8Å; R389-D392 PolarHBondContact NH1-OD1 3.34Å; R389-D392 IonicContact NH1-OD2 3.26Å; R389-D392 PolarHBondContact NH1-OD2 3.34Å; R389-D392 VanDerWaalsContact NH1-OD2 3.13Å; D392-F416 HydrophobicContact CB-CE2 4.31Å; D392-F416 HydrophobicContact CB-CZ 4.35Å; D392-F416 WeakPolarHBondContact OD2-CZ 3.36Å |
| 393 | V | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.7 | -176.3 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | L364 F379 L381 K391 E397 F399 | L364-V393 HydrophobicContact CD1-CG2 3.7Å; L364-V393 HydrophobicContact CG-CG2 4.1Å; F379-V393 PolarHBondContact N-O 2.64Å; F379-V393 PolarHBondContact O-N 2.86Å; L381-V393 HydrophobicContact CD1-CG1 4.25Å; L381-V393 HydrophobicContact CD1-CG2 3.88Å; L381-V393 HydrophobicContact CD2-CG2 4.2Å; L381-V393 HydrophobicContact CG-CG2 3.94Å; K391-V393 HydrophobicContact CB-CG1 4.21Å; K391-V393 HydrophobicContact CD-CG1 3.68Å; K391-V393 HydrophobicContact CG-CG1 3.91Å; V393-E397 WeakPolarHBondContact CA-OE2 3.49Å; V393-E397 HydrophobicContact CB-CB 4.46Å; V393-F399 HydrophobicContact CB-CD1 4.4Å; V393-F399 HydrophobicContact CG1-CB 4.13Å; V393-F399 HydrophobicContact CG1-CD1 3.88Å; V393-F399 HydrophobicContact CG1-CG 4.21Å; V393-F399 HydrophobicContact CG2-CD1 4.37Å; V393-F399 HydrophobicContact CG2-CE1 4.36Å |
| 394 | R | 97.7 | Very high | 97.8 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 162.9 | 161.5 | -63.1 | 177 | 173.2 | -89.9 | -4.2 | 112.1 | D377 T396 E397 | D377-R394 CarbonylContact O-C 3.52Å; D377-R394 WeakPolarHBondContact O-CA 3.26Å; D377-R394 WeakPolarHBondContact O-CB 3.41Å; D377-R394 IonicContact OD1-NH1 3.71Å; D377-R394 PolarHBondContact OD1-NH1 3.03Å; D377-R394 IonicContact OD2-CZ 3.33Å; D377-R394 IonicContact OD2-NH1 2.95Å; D377-R394 PolarHBondContact OD2-NH1 3.27Å; R394-T396 VanDerWaalsContact C-N 3.27Å; R394-T396 PolarHBondContact O-N 3.16Å; R394-E397 HydrophobicContact CB-CB 3.94Å; R394-E397 PolarHBondContact N-OE2 3.43Å; R394-E397 VanDerWaalsContact N-OE2 3.08Å; R394-E397 PolarHBondContact O-N 3.15Å; R394-E397 VanDerWaalsContact O-N 3.07Å |
| 395 | L | 96.7 | Very high | 97.8 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -45.7 | -179.6 | -173.3 | 62.4 | 0 | 0 | 0 | 113.1 | L364 D365 I374 D377 F379 | L364-L395 WeakPolarHBondContact CA-O 3.46Å; L364-L395 HydrophobicContact CB-CD1 3.93Å; L364-L395 WeakPolarHBondContact CB-O 3.39Å; L364-L395 PolarHBondContact N-O 3.17Å; D365-L395 HydrophobicContact CB-CG 4.2Å; D365-L395 PolarHBondContact N-O 2.79Å; I374-L395 HydrophobicContact CB-CD1 4.05Å; I374-L395 HydrophobicContact CG2-CD1 3.84Å; D377-L395 PolarHBondContact O-N 3.01Å; F379-L395 HydrophobicContact CE2-CB 3.99Å; F379-L395 HydrophobicContact CE2-CD1 4.05Å; F379-L395 HydrophobicContact CZ-CD1 4.25Å |
| 396 | T | 97.5 | Very high | 97.8 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 60% | 0.595 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 5 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | D365 R394 N398 | D365-T396 HydrophobicContact CB-CG2 4.12Å; R394-T396 VanDerWaalsContact C-N 3.27Å; R394-T396 PolarHBondContact O-N 3.16Å; T396-N398 PolarHBondContact O-N 3Å |
| 397 | E | 98.3 | Very high | 97.9 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 34% | 0.341 | 28% | 0.275 | S | S | . | . | trans | -76.3 | 124.9 | 177.7 | -175.3 | -168.3 | 152.4 | 0 | 0 | 110.2 | N363 K391 V393 R394 | N363-E397 VanDerWaalsContact CB-O 3.28Å; N363-E397 WeakPolarHBondContact CB-O 3.35Å; K391-E397 IonicContact NZ-OE1 2.76Å; K391-E397 PolarHBondContact NZ-OE1 3.02Å; V393-E397 WeakPolarHBondContact CA-OE2 3.49Å; V393-E397 HydrophobicContact CB-CB 4.46Å; R394-E397 HydrophobicContact CB-CB 3.94Å; R394-E397 PolarHBondContact N-OE2 3.43Å; R394-E397 VanDerWaalsContact N-OE2 3.08Å; R394-E397 PolarHBondContact O-N 3.15Å; R394-E397 VanDerWaalsContact O-N 3.07Å | ||
| 398 | N | 98.5 | Very high | 98 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | trans | -69.8 | 139.6 | 176.5 | -72.7 | -23.9 | 0 | 0 | 0 | 111.9 | T361 T362 N363 T396 | T361-N398 HydrophobicContact CG2-CB 3.89Å; T362-N398 CarbonylContact O-C 3.38Å; T362-N398 VanDerWaalsContact O-CA 3.31Å; T362-N398 WeakPolarHBondContact O-CA 3.42Å; N363-N398 PolarHBondContact ND2-OD1 2.84Å; T396-N398 PolarHBondContact O-N 3Å | ||
| 399 | F | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.6 | 170.1 | 58.4 | -86.2 | 0 | 0 | 0 | 109.9 | I346 T361 T362 L364 L381 F390 K391 V393 I401 | I346-F399 HydrophobicContact CD1-CZ 4.43Å; T361-F399 VanDerWaalsContact CA-O 3.32Å; T361-F399 WeakPolarHBondContact CA-O 3.24Å; T362-F399 HydrophobicContact CG2-CE1 4.43Å; T362-F399 HydrophobicContact CG2-CE2 3.95Å; T362-F399 HydrophobicContact CG2-CZ 3.89Å; T362-F399 PolarHBondContact N-O 2.97Å; T362-F399 WeakPolarHBondContact O-CD1 3.1Å; T362-F399 PolarHBondContact O-N 3.36Å; T362-F399 VanDerWaalsContact O-O 3.11Å; L364-F399 HydrophobicContact CD2-CE1 4.25Å; L364-F399 HydrophobicContact CD2-CZ 4.2Å; L364-F399 HydrophobicContact CG-CE1 4.17Å; L381-F399 HydrophobicContact CD1-CD1 4.31Å; L381-F399 HydrophobicContact CD1-CD2 4.08Å; L381-F399 HydrophobicContact CD1-CE1 4.01Å; L381-F399 HydrophobicContact CD1-CE2 3.73Å; L381-F399 HydrophobicContact CD1-CG 4.35Å; L381-F399 HydrophobicContact CD1-CZ 3.71Å; F390-F399 HydrophobicContact CE1-CD2 4.14Å; K391-F399 HydrophobicContact CD-CB 3.95Å; V393-F399 HydrophobicContact CB-CD1 4.4Å; V393-F399 HydrophobicContact CG1-CB 4.13Å; V393-F399 HydrophobicContact CG1-CD1 3.88Å; V393-F399 HydrophobicContact CG1-CG 4.21Å; V393-F399 HydrophobicContact CG2-CD1 4.37Å; V393-F399 HydrophobicContact CG2-CE1 4.36Å; F399-I401 HydrophobicContact CD2-CD1 4.22Å; F399-I401 HydrophobicContact CD2-CG1 3.81Å; F399-I401 HydrophobicContact CE2-CD1 3.7Å; F399-I401 HydrophobicContact CE2-CG1 3.79Å |
| 400 | T | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 40% | 0.399 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.3 | -175.2 | -62.5 | 0 | 0 | 0 | 0 | 109.9 | N359 T361 | N359-T400 HydrophobicContact CB-CG2 3.66Å; T361-T400 PolarHBondContact OG1-OG1 3.47Å |
| 401 | I | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.3 | -177 | -51.9 | 162.4 | 0 | 0 | 0 | 108 | F360 T362 F399 I403 M409 F411 | F360-I401 HydrophobicContact CD1-CD1 4.43Å; F360-I401 PolarHBondContact N-O 3.47Å; F360-I401 PolarHBondContact O-N 2.98Å; T362-I401 HydrophobicContact CG2-CD1 3.81Å; F399-I401 HydrophobicContact CD2-CD1 4.22Å; F399-I401 HydrophobicContact CD2-CG1 3.81Å; F399-I401 HydrophobicContact CE2-CD1 3.7Å; F399-I401 HydrophobicContact CE2-CG1 3.79Å; I401-I403 HydrophobicContact CB-CG1 4.34Å; I401-I403 HydrophobicContact CG2-CD1 4.11Å; I401-I403 HydrophobicContact CG2-CG1 3.73Å; I401-M409 HydrophobicContact CG2-CB 3.5Å; I401-M409 VanDerWaalsContact CG2-CB 3.5Å; I401-M409 HydrophobicContact CG2-CG 3.5Å; I401-M409 VanDerWaalsContact CG2-CG 3.5Å; I401-F411 HydrophobicContact CD1-CE2 3.86Å; I401-F411 HydrophobicContact CG1-CE2 3.95Å; I401-F411 HydrophobicContact CG1-CZ 4.34Å; I401-F411 HydrophobicContact CG2-CE2 4Å; I401-F411 HydrophobicContact CG2-CZ 4.05Å |
| 402 | P | 97.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.4 | 170.5 | 30.3 | -31.6 | 0 | 0 | 0 | 109.8 | I358 M409 | I358-P402 WeakPolarHBondContact O-CA 3.36Å; P402-M409 WeakPolarHBondContact O-CG 3.33Å |
| 403 | I | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.9 | -179.5 | -42.1 | 175.5 | 0 | 0 | 0 | 109.6 | V330 C348 P357 I358 F360 I401 M409 | V330-I403 HydrophobicContact CG1-CD1 4.11Å; C348-I403 HydrophobicContact CB-CD1 3.52Å; P357-I403 CarbonylContact C-O 3.59Å; P357-I403 VanDerWaalsContact CA-O 3.22Å; P357-I403 WeakPolarHBondContact CA-O 3.46Å; I358-I403 HydrophobicContact CG2-CB 4.06Å; I358-I403 PolarHBondContact N-O 3.04Å; I358-I403 PolarHBondContact O-N 3.32Å; F360-I403 HydrophobicContact CB-CD1 4.14Å; I401-I403 HydrophobicContact CB-CG1 4.34Å; I401-I403 HydrophobicContact CG2-CD1 4.11Å; I401-I403 HydrophobicContact CG2-CG1 3.73Å; I403-M409 HydrophobicContact CG1-CB 4.46Å; I403-M409 HydrophobicContact CG1-CG 3.91Å; I403-M409 HydrophobicContact CG2-CG 4.49Å |
| 404 | N | 98.4 | Very high | 97.8 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 40% | 0.396 | 19% | 0.191 | S | C | . | . | trans | -69.9 | 154.4 | 173 | -70.8 | -26.2 | 0 | 0 | 0 | 111.6 | D271 S406 G407 | D271-N404 PolarHBondContact OD1-ND2 3.24Å; N404-S406 PolarHBondContact O-N 2.77Å; N404-G407 WeakPolarHBondContact O-CA 3.35Å; N404-G407 PolarHBondContact O-N 2.86Å | ||
| 405 | P | 98.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 17% | 0.169 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 136.6 | 169 | -24.7 | 34 | 0 | 0 | 0 | 111.6 | Y350 R352 G355 G356 G407 | Y350-P405 HydrophobicContact CD1-CB 4.47Å; Y350-P405 HydrophobicContact CD1-CG 4.44Å; Y350-P405 HydrophobicContact CE1-CG 4.22Å; R352-P405 CarbonylContact O-C 3.55Å; R352-P405 WeakPolarHBondContact O-CA 3.35Å; R352-P405 WeakPolarHBondContact O-CB 3.49Å; G355-P405 WeakPolarHBondContact O-CG 3.34Å; G356-P405 WeakPolarHBondContact O-CG 3.26Å; P405-G407 PolarHBondContact O-N 3.32Å; P405-G407 VanDerWaalsContact O-N 3.13Å |
| 406 | S | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 24.3 | -173.7 | -52 | 0 | 0 | 0 | 0 | 113.6 | D271 Q272 V275 Y350 R352 N404 | D271-S406 CarbonylContact C-O 3.55Å; D271-S406 VanDerWaalsContact C-O 3.3Å; Q272-S406 PolarHBondContact N-O 2.64Å; V275-S406 WeakPolarHBondContact CG2-O 3.34Å; Y350-S406 WeakPolarHBondContact O-CA 3.36Å; Y350-S406 PolarHBondContact O-N 2.87Å; R352-S406 PolarHBondContact O-N 3.27Å; R352-S406 PolarHBondContact O-OG 3.07Å; N404-S406 PolarHBondContact O-N 2.77Å |
| 407 | G | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | trans | -103.8 | 168.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I349 Y350 N404 P405 | I349-G407 WeakPolarHBondContact CA-O 3.26Å; Y350-G407 PolarHBondContact N-O 3.35Å; N404-G407 WeakPolarHBondContact O-CA 3.35Å; N404-G407 PolarHBondContact O-N 2.86Å; P405-G407 PolarHBondContact O-N 3.32Å; P405-G407 VanDerWaalsContact O-N 3.13Å | ||
| 408 | I | 98.8 | Very high | 94 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143 | 177.2 | -173.5 | 174.7 | 0 | 0 | 0 | 108.9 | R274 V275 M279 A347 C348 I349 F385 M410 | R274-I408 HydrophobicContact CB-CG2 3.63Å; V275-I408 HydrophobicContact CB-CB 4.47Å; V275-I408 HydrophobicContact CB-CG2 4.3Å; V275-I408 HydrophobicContact CG2-CB 3.78Å; V275-I408 HydrophobicContact CG2-CG2 3.85Å; M279-I408 HydrophobicContact CG-CD1 4.1Å; M279-I408 HydrophobicContact SD-CD1 3.78Å; A347-I408 HydrophobicContact CB-CD1 4.05Å; A347-I408 HydrophobicContact CB-CG1 4.35Å; C348-I408 CarbonylContact O-C 3.43Å; C348-I408 VanDerWaalsContact O-CA 3.27Å; C348-I408 WeakPolarHBondContact O-CA 3.38Å; I349-I408 HydrophobicContact CG1-CB 4.45Å; I349-I408 HydrophobicContact CG1-CD1 4.01Å; I349-I408 HydrophobicContact CG1-CG1 4.02Å; F385-I408 HydrophobicContact CE1-CG2 4.5Å; F385-I408 HydrophobicContact CE2-CG2 3.83Å; F385-I408 HydrophobicContact CZ-CG2 3.49Å; F385-I408 VanDerWaalsContact CZ-CG2 3.49Å; I408-M410 HydrophobicContact CD1-CG 3.67Å; I408-M410 HydrophobicContact CD1-SD 3.77Å; I408-M410 HydrophobicContact CG1-CG 3.84Å; I408-M410 HydrophobicContact CG1-SD 4.49Å |
| 409 | M | 98.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.7 | 161.6 | -67.3 | -60.5 | -65.9 | 0 | 0 | 108.6 | A347 C348 D383 I401 P402 I403 F411 | A347-M409 WeakPolarHBondContact CA-O 3.31Å; C348-M409 PolarHBondContact N-O 2.95Å; C348-M409 PolarHBondContact O-N 2.98Å; D383-M409 WeakPolarHBondContact OD2-CE 3.1Å; I401-M409 HydrophobicContact CG2-CB 3.5Å; I401-M409 VanDerWaalsContact CG2-CB 3.5Å; I401-M409 HydrophobicContact CG2-CG 3.5Å; I401-M409 VanDerWaalsContact CG2-CG 3.5Å; P402-M409 WeakPolarHBondContact O-CG 3.33Å; I403-M409 HydrophobicContact CG1-CB 4.46Å; I403-M409 HydrophobicContact CG1-CG 3.91Å; I403-M409 HydrophobicContact CG2-CG 4.49Å; M409-F411 HydrophobicContact CB-CE2 4.08Å; M409-F411 HydrophobicContact CB-CZ 4.18Å; M409-F411 HydrophobicContact CE-CE1 4.39Å; M409-F411 HydrophobicContact CE-CZ 4.07Å |
| 410 | M | 98.7 | Very high | 89 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.3 | -178 | -71.4 | 178.3 | 65.8 | 0 | 0 | 109.4 | G278 M282 L309 I312 I346 A347 V384 F385 I408 | G278-M410 WeakPolarHBondContact CA-SD 3.26Å; M282-M410 HydrophobicContact CG-CE 3.63Å; M282-M410 HydrophobicContact SD-CE 3.84Å; L309-M410 HydrophobicContact CD2-CE 3.89Å; L309-M410 HydrophobicContact CD2-SD 3.86Å; I312-M410 HydrophobicContact CD1-CE 4.11Å; I346-M410 VanDerWaalsContact O-CA 3.31Å; I346-M410 WeakPolarHBondContact O-CA 3.36Å; A347-M410 HydrophobicContact CB-CG 3.87Å; V384-M410 HydrophobicContact CB-CB 3.82Å; V384-M410 HydrophobicContact CG1-CB 4.5Å; V384-M410 HydrophobicContact CG1-CE 4.42Å; V384-M410 HydrophobicContact CG2-CB 3.94Å; V384-M410 WeakPolarHBondContact CG2-O 3.39Å; V384-M410 PolarHBondContact N-O 3.04Å; F385-M410 HydrophobicContact CD2-CB 4.38Å; F385-M410 HydrophobicContact CE1-SD 4.49Å; F385-M410 HydrophobicContact CE2-CB 3.77Å; F385-M410 HydrophobicContact CE2-CG 3.75Å; F385-M410 HydrophobicContact CE2-SD 4Å; F385-M410 HydrophobicContact CZ-CB 4.37Å; F385-M410 HydrophobicContact CZ-CG 4Å; F385-M410 HydrophobicContact CZ-SD 3.62Å; I408-M410 HydrophobicContact CD1-CG 3.67Å; I408-M410 HydrophobicContact CD1-SD 3.77Å; I408-M410 HydrophobicContact CG1-CG 3.84Å; I408-M410 HydrophobicContact CG1-SD 4.49Å |
| 411 | F | 98.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.6 | 177.3 | -55.6 | -74.3 | 0 | 0 | 0 | 110.9 | A345 I346 L381 L382 D383 F390 I401 M409 | A345-F411 WeakPolarHBondContact CA-O 3.5Å; I346-F411 HydrophobicContact CD1-CB 4.22Å; I346-F411 HydrophobicContact CD1-CD2 4.13Å; I346-F411 HydrophobicContact CG1-CB 3.83Å; I346-F411 HydrophobicContact CG1-CD2 4.2Å; I346-F411 PolarHBondContact N-O 3.17Å; I346-F411 PolarHBondContact O-N 3.32Å; L381-F411 HydrophobicContact CB-CB 4.4Å; L381-F411 HydrophobicContact CB-CD1 4.31Å; L381-F411 HydrophobicContact CB-CG 4.48Å; L382-F411 CarbonylContact O-C 3.38Å; L382-F411 WeakPolarHBondContact O-CA 3.37Å; D383-F411 HydrophobicContact CB-CE1 4.36Å; F390-F411 HydrophobicContact CB-CD1 4.02Å; F390-F411 HydrophobicContact CB-CE1 3.69Å; F390-F411 HydrophobicContact CD1-CD1 4.21Å; F390-F411 AromaticContact CD1-CE1 3.58Å; F390-F411 HydrophobicContact CD1-CE1 3.58Å; F390-F411 AromaticContact CD1-CZ 3.9Å; F390-F411 HydrophobicContact CD1-CZ 3.9Å; F390-F411 AromaticContact CD2-CE1 3.75Å; F390-F411 HydrophobicContact CD2-CE1 3.75Å; F390-F411 HydrophobicContact CD2-CZ 4.16Å; F390-F411 HydrophobicContact CE1-CE1 4.12Å; F390-F411 AromaticContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE2-CE1 4.27Å; F390-F411 HydrophobicContact CE2-CZ 4.21Å; F390-F411 HydrophobicContact CG-CD1 4.12Å; F390-F411 AromaticContact CG-CE1 3.37Å; F390-F411 HydrophobicContact CG-CE1 3.37Å; F390-F411 HydrophobicContact CG-CZ 4Å; F390-F411 HydrophobicContact CZ-CE1 4.43Å; F390-F411 HydrophobicContact CZ-CZ 4.11Å; I401-F411 HydrophobicContact CD1-CE2 3.86Å; I401-F411 HydrophobicContact CG1-CE2 3.95Å; I401-F411 HydrophobicContact CG1-CZ 4.34Å; I401-F411 HydrophobicContact CG2-CE2 4Å; I401-F411 HydrophobicContact CG2-CZ 4.05Å; M409-F411 HydrophobicContact CB-CE2 4.08Å; M409-F411 HydrophobicContact CB-CZ 4.18Å; M409-F411 HydrophobicContact CE-CE1 4.39Å; M409-F411 HydrophobicContact CE-CZ 4.07Å |
| 412 | R | 96.4 | Very high | 83.8 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.8 | 158.2 | 174.9 | 68.5 | -175.7 | 154.3 | -13.2 | 106.9 | L337 P341 G343 W344 L382 V384 N414 | L337-R412 VanDerWaalsContact CG-NH1 3.27Å; P341-R412 PolarHBondContact O-NH2 2.88Å; G343-R412 PolarHBondContact O-NH1 2.83Å; W344-R412 VanDerWaalsContact C-NH1 3.3Å; W344-R412 WeakPolarHBondContact O-CD 3.46Å; W344-R412 PolarHBondContact O-NH1 2.82Å; L382-R412 HydrophobicContact CB-CB 4.28Å; L382-R412 PolarHBondContact N-O 3.2Å; L382-R412 PolarHBondContact O-N 2.68Å; V384-R412 HydrophobicContact CG2-CB 4.33Å; R412-N414 WeakPolarHBondContact CG-OD1 3.43Å; R412-N414 PolarHBondContact NE-OD1 2.74Å; R412-N414 VanDerWaalsContact NE-OD1 3.12Å |
| 413 | V | 96.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 102.6 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 107.9 | G343 W344 I346 L364 I374 F379 L381 | G343-V413 WeakPolarHBondContact CA-O 3.37Å; W344-V413 HydrophobicContact CB-CB 4.21Å; W344-V413 HydrophobicContact CB-CG2 4.48Å; W344-V413 HydrophobicContact CE3-CB 4.48Å; W344-V413 HydrophobicContact CE3-CG1 4.28Å; W344-V413 PolarHBondContact N-O 3.47Å; W344-V413 VanDerWaalsContact N-O 3.12Å; W344-V413 PolarHBondContact O-N 2.94Å; I346-V413 HydrophobicContact CD1-CG2 3.98Å; I346-V413 HydrophobicContact CG1-CG2 3.85Å; I346-V413 HydrophobicContact CG2-CG2 4.03Å; L364-V413 HydrophobicContact CD1-CG1 3.83Å; L364-V413 HydrophobicContact CD2-CG1 4.11Å; L364-V413 HydrophobicContact CD2-CG2 3.96Å; I374-V413 HydrophobicContact CG2-CG1 4.46Å; F379-V413 HydrophobicContact CB-CG1 3.97Å; F379-V413 HydrophobicContact CD1-CG1 3.67Å; F379-V413 HydrophobicContact CE1-CG1 4.44Å; F379-V413 HydrophobicContact CG-CG1 3.98Å; L381-V413 HydrophobicContact CD2-CB 4.31Å; L381-V413 HydrophobicContact CD2-CG1 4.09Å; L381-V413 HydrophobicContact CD2-CG2 3.94Å |
| 414 | N | 93.6 | Very high | 80.2 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 14% | 0.139 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.9 | 177.8 | -62.5 | -38.4 | 0 | 0 | 0 | 108.9 | F379 E380 L382 R412 | F379-N414 CarbonylContact C-O 3.43Å; F379-N414 WeakPolarHBondContact CA-O 3.3Å; E380-N414 HydrophobicContact CB-CB 4.37Å; E380-N414 PolarHBondContact N-O 3.03Å; E380-N414 PolarHBondContact O-N 3.06Å; E380-N414 PolarHBondContact OE2-ND2 3.12Å; L382-N414 VanDerWaalsContact CD1-ND2 3.32Å; L382-N414 WeakPolarHBondContact CD1-ND2 3.29Å; R412-N414 WeakPolarHBondContact CG-OD1 3.43Å; R412-N414 PolarHBondContact NE-OD1 2.74Å; R412-N414 VanDerWaalsContact NE-OD1 3.12Å |
| 415 | P | 92.3 | Very high | 79.2 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 141.6 | 168.1 | 28.5 | -31.1 | 0 | 0 | 0 | 109.3 | S342 F379 E417 | S342-P415 WeakPolarHBondContact O-CD 2.98Å; S342-P415 VanDerWaalsContact O-CG 3.3Å; S342-P415 WeakPolarHBondContact O-CG 3.13Å; F379-P415 HydrophobicContact CD1-CB 4Å; F379-P415 HydrophobicContact CE1-CB 4Å; P415-E417 PolarHBondContact O-N 3.23Å |
| 416 | F | 89.1 | Confident | 78.2 | Confident | 84 Ų | 84 | 76.6 Ų | 76.6 | 37% | 0.368 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 122 | 165.5 | -82.1 | -102.8 | 0 | 0 | 0 | 108 | K378 F379 E380 D392 L418 | K378-F416 HydrophobicContact CB-CD2 4.03Å; K378-F416 HydrophobicContact CD-CD2 3.89Å; K378-F416 HydrophobicContact CD-CE2 3.94Å; K378-F416 HydrophobicContact CD-CG 4.22Å; K378-F416 HydrophobicContact CD-CZ 4.33Å; K378-F416 HydrophobicContact CG-CD2 3.64Å; K378-F416 HydrophobicContact CG-CE2 3.82Å; K378-F416 HydrophobicContact CG-CG 4.33Å; K378-F416 PolarHBondContact O-N 2.94Å; F379-F416 VanDerWaalsContact C-CE2 3.46Å; E380-F416 HydrophobicContact CB-CE2 4.08Å; E380-F416 HydrophobicContact CB-CZ 4.46Å; D392-F416 HydrophobicContact CB-CE2 4.31Å; D392-F416 HydrophobicContact CB-CZ 4.35Å; D392-F416 WeakPolarHBondContact OD2-CZ 3.36Å; F416-L418 PolarHBondContact O-N 3.23Å |
| 417 | E | 74.2 | Confident | 77 | Confident | 153 Ų | 153 | 80.8 Ų | 80.8 | 72% | 0.715 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 126.5 | 168.8 | -70.1 | -176 | 176.9 | 0 | 0 | 108.3 | P415 I419 | P415-E417 PolarHBondContact O-N 3.23Å; E417-I419 PolarHBondContact O-N 3.29Å |
| 418 | L | 54.7 | Low | 75.7 | Confident | 139 Ų | 139 | 85.8 Ų | 85.8 | 73% | 0.728 | 42% | 0.419 | S | S | * | . | trans | -65.6 | 103.8 | 163.6 | -72.4 | 166.6 | 0 | 0 | 0 | 105.8 | F416 Y420 | F416-L418 PolarHBondContact O-N 3.23Å; L418-Y420 HydrophobicContact CB-CD2 4.43Å; L418-Y420 HydrophobicContact CB-CE2 4.29Å; L418-Y420 PolarHBondContact O-N 3.07Å | ||
| 419 | I | 45.8 | Very low | 74.1 | Confident | 149 Ų | 149 | 91.2 Ų | 91.2 | 76% | 0.764 | 45% | 0.446 | S | S | * | . | trans | -62.8 | 97.3 | 161.5 | -56.2 | 174.8 | 0 | 0 | 0 | 104.6 | E417 T421 | E417-I419 PolarHBondContact O-N 3.29Å; I419-T421 HydrophobicContact CG2-CG2 4.18Å; I419-T421 PolarHBondContact O-N 3.36Å | ||
| 420 | Y | 44.5 | Very low | 72.4 | Confident | 193 Ų | 193 | 96.2 Ų | 96.2 | 76% | 0.757 | 47% | 0.47 | S | S | * | . | trans | -64.5 | 97.4 | 159.4 | -77.6 | -84.3 | 0 | 0 | 0 | 105 | L418 D422 | L418-Y420 HydrophobicContact CB-CD2 4.43Å; L418-Y420 HydrophobicContact CB-CE2 4.29Å; L418-Y420 PolarHBondContact O-N 3.07Å; Y420-D422 VanDerWaalsContact C-N 3.34Å; Y420-D422 PolarHBondContact O-N 3.49Å; Y420-D422 VanDerWaalsContact O-N 3.09Å | ||
| 421 | T | 42.2 | Very low | 70.3 | Confident | 104 Ų | 104 | 103.5 Ų | 103.5 | 64% | 0.638 | 51% | 0.506 | S | S | * | . | trans | -65.2 | 105.4 | 158.9 | 48 | 0 | 0 | 0 | 0 | 105.2 | I419 Q423 | I419-T421 HydrophobicContact CG2-CG2 4.18Å; I419-T421 PolarHBondContact O-N 3.36Å; T421-Q423 PolarHBondContact O-N 3.46Å | ||
| 422 | D | 46 | Very low | 68 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 87% | 0.866 | 55% | 0.548 | S | S | * | . | trans | -51.8 | 110.7 | 162.1 | -73.6 | -29.3 | 0 | 0 | 0 | 106.6 | Y420 | Y420-D422 VanDerWaalsContact C-N 3.34Å; Y420-D422 PolarHBondContact O-N 3.49Å; Y420-D422 VanDerWaalsContact O-N 3.09Å | ||
| 423 | Q | 40.7 | Very low | 65.4 | Low | 259 Ų | 259 | 118.7 Ų | 118.7 | 100% | 1.21 | 58% | 0.584 | S | S | * | * | trans | -87.5 | 0 | 170.7 | -80.7 | -169.3 | -20.2 | 0 | 0 | 109.9 | T421 | T421-Q423 PolarHBondContact O-N 3.46Š|
Retrieved 423 of 423 residues in 155.8 ms
(Link to these results)