| 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 | 30.3 | Very low | 31.3 | Very low | 234 Ų | 234 | 111.5 Ų | 111.5 | 100% | 1.153 | 62% | 0.624 | S | S | * | * | 0 | 112.6 | 0 | -77.4 | -179.6 | -105.1 | 0 | 0 | 107.6 | F3 | M1-F3 PolarHBondContact O-N 3.06Š| |||
| 2 | A | 27.5 | Very low | 31 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 86% | 0.86 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 119.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 3 | F | 29.2 | Very low | 31.3 | Very low | 185 Ų | 185 | 106.2 Ų | 106.2 | 81% | 0.811 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 138.5 | 170.5 | -81.4 | -91.6 | 0 | 0 | 0 | 109 | M1 | M1-F3 PolarHBondContact O-N 3.06Š|
| 4 | P | 29.8 | Very low | 31.4 | Very low | 86 Ų | 86 | 104.4 Ų | 104.4 | 56% | 0.558 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 139.9 | 178.1 | 25.1 | -31 | 0 | 0 | 0 | 110 | Q6 I9 | P4-Q6 PolarHBondContact O-N 2.99Å; P4-I9 HydrophobicContact CG-CD1 4.47Å |
| 5 | N | 35.3 | Very low | 31.2 | Very low | 134 Ų | 134 | 102.7 Ų | 102.7 | 72% | 0.717 | 58% | 0.58 | S | S | * | * | trans | -44.7 | 125 | 179.5 | -89.2 | -18.3 | 0 | 0 | 0 | 110.7 | Q7 A8 | N5-Q7 PolarHBondContact O-N 3.31Å; N5-A8 PolarHBondContact O-N 2.98Å | ||
| 6 | Q | 36.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 101.4 Ų | 101.4 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -47.3 | -25 | 179.7 | -76.2 | 171.2 | -34.7 | 0 | 0 | 113.6 | P4 I10 I294 | P4-Q6 PolarHBondContact O-N 2.99Å; Q6-I10 WeakPolarHBondContact O-CG1 3.41Å; Q6-I10 PolarHBondContact O-N 3.12Å; Q6-I294 HydrophobicContact CG-CD1 4.06Å; Q6-I294 VanDerWaalsContact NE2-CD1 3.3Å |
| 7 | Q | 32.8 | Very low | 31.3 | Very low | 167 Ų | 167 | 96.2 Ų | 96.2 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -31.1 | 176.2 | -63.4 | -168.9 | -13.4 | 0 | 0 | 114.7 | N5 G11 | N5-Q7 PolarHBondContact O-N 3.31Å; Q7-G11 PolarHBondContact O-N 3.37Å; Q7-G11 VanDerWaalsContact O-N 3.1Å |
| 8 | A | 27.8 | Very low | 31.4 | Very low | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.9 | -32.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N5 L12 | N5-A8 PolarHBondContact O-N 2.98Å; A8-L12 PolarHBondContact O-N 3.41Å; A8-L12 VanDerWaalsContact O-N 3.13Å |
| 9 | I | 30.6 | Very low | 31.4 | Very low | 70 Ų | 70 | 96.7 Ų | 96.7 | 36% | 0.359 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.4 | -41.4 | 178.1 | -65.1 | 174.6 | 0 | 0 | 0 | 110.4 | P4 F13 L283 | P4-I9 HydrophobicContact CG-CD1 4.47Å; I9-F13 VanDerWaalsContact O-CB 3.31Å; I9-F13 WeakPolarHBondContact O-CB 3.46Å; I9-F13 PolarHBondContact O-N 2.6Å; I9-F13 VanDerWaalsContact O-N 3.17Å; I9-L283 HydrophobicContact CG2-CD1 4.22Å; I9-L283 HydrophobicContact CG2-CD2 3.52Å |
| 10 | I | 34.9 | Very low | 31.7 | Very low | 49 Ų | 49 | 92.7 Ų | 92.7 | 25% | 0.251 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 175.1 | -63.8 | 165.9 | 0 | 0 | 0 | 110.8 | Q6 F13 M14 | Q6-I10 WeakPolarHBondContact O-CG1 3.41Å; Q6-I10 PolarHBondContact O-N 3.12Å; I10-F13 PolarHBondContact O-N 3.34Å; I10-M14 WeakPolarHBondContact O-CG 3.06Å; I10-M14 PolarHBondContact O-N 3.25Å; I10-M14 VanDerWaalsContact O-N 3.1Å |
| 11 | G | 29.4 | Very low | 32.2 | Very low | 44 Ų | 44 | 89.2 Ų | 89.2 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q7 F13 M14 A15 | Q7-G11 PolarHBondContact O-N 3.37Å; Q7-G11 VanDerWaalsContact O-N 3.1Å; G11-F13 VanDerWaalsContact C-N 3.25Å; G11-F13 PolarHBondContact O-N 3.49Å; G11-M14 PolarHBondContact O-N 2.92Å; G11-A15 PolarHBondContact O-N 2.96Å |
| 12 | L | 27.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 79.7 Ų | 79.7 | 71% | 0.712 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.2 | -30.6 | 175 | -100.9 | 142.4 | 0 | 0 | 0 | 112.3 | A8 | A8-L12 PolarHBondContact O-N 3.41Å; A8-L12 VanDerWaalsContact O-N 3.13Å |
| 13 | F | 34.5 | Very low | 33.8 | Very low | 17 Ų | 17 | 76.3 Ų | 76.3 | 8% | 0.075 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -71.7 | -44.7 | 179.1 | -167.3 | -141.5 | 0 | 0 | 0 | 111.8 | I9 I10 G11 A15 F16 L17 L280 L298 N301 | I9-F13 VanDerWaalsContact O-CB 3.31Å; I9-F13 WeakPolarHBondContact O-CB 3.46Å; I9-F13 PolarHBondContact O-N 2.6Å; I9-F13 VanDerWaalsContact O-N 3.17Å; I10-F13 PolarHBondContact O-N 3.34Å; G11-F13 VanDerWaalsContact C-N 3.25Å; G11-F13 PolarHBondContact O-N 3.49Å; F13-A15 PolarHBondContact O-N 2.91Å; F13-F16 PolarHBondContact O-N 3.04Å; F13-L17 HydrophobicContact CD1-CD1 4.11Å; F13-L17 HydrophobicContact CD2-CD1 4.01Å; F13-L17 HydrophobicContact CD2-CG 4.28Å; F13-L17 HydrophobicContact CE1-CD1 4.15Å; F13-L17 HydrophobicContact CE2-CD1 3.96Å; F13-L17 HydrophobicContact CE2-CD2 3.97Å; F13-L17 HydrophobicContact CE2-CG 4.13Å; F13-L17 HydrophobicContact CG-CD1 4.03Å; F13-L17 HydrophobicContact CZ-CD1 4.06Å; F13-L17 HydrophobicContact CZ-CD2 4.27Å; F13-L17 WeakPolarHBondContact O-CD1 3.17Å; F13-L17 WeakPolarHBondContact O-CG 3.14Å; F13-L17 PolarHBondContact O-N 2.99Å; F13-L280 HydrophobicContact CD2-CD2 3.57Å; F13-L280 HydrophobicContact CE1-CD2 4.16Å; F13-L280 HydrophobicContact CE2-CD1 3.47Å; F13-L280 VanDerWaalsContact CE2-CD1 3.47Å; F13-L280 HydrophobicContact CE2-CD2 3.02Å; F13-L280 HydrophobicContact CE2-CG 3.75Å; F13-L280 HydrophobicContact CG-CD2 4.4Å; F13-L280 HydrophobicContact CZ-CD1 3.64Å; F13-L280 HydrophobicContact CZ-CD2 3.36Å; F13-L280 HydrophobicContact CZ-CG 4.12Å; F13-L298 HydrophobicContact CD1-CD2 4.43Å; F13-L298 HydrophobicContact CE1-CD2 3.68Å; F13-L298 HydrophobicContact CE1-CG 4.33Å; F13-L298 HydrophobicContact CZ-CD2 3.84Å; F13-N301 HydrophobicContact CD1-CB 4.15Å; F13-N301 WeakPolarHBondContact CD1-ND2 3.26Å; F13-N301 HydrophobicContact CE1-CB 3.24Å; F13-N301 VanDerWaalsContact CE1-CG 3.49Å; F13-N301 WeakPolarHBondContact CE1-ND2 3.43Å; F13-N301 HydrophobicContact CE2-CB 4.18Å; F13-N301 HydrophobicContact CZ-CB 3.23Å |
| 14 | M | 33.3 | Very low | 35.3 | Very low | 82 Ų | 82 | 75 Ų | 75 | 40% | 0.404 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.8 | -34.8 | 178.6 | -68.2 | -67.7 | -80.4 | 0 | 0 | 113.8 | I10 G11 F16 L17 Y204 | I10-M14 WeakPolarHBondContact O-CG 3.06Å; I10-M14 PolarHBondContact O-N 3.25Å; I10-M14 VanDerWaalsContact O-N 3.1Å; G11-M14 PolarHBondContact O-N 2.92Å; M14-F16 VanDerWaalsContact C-N 3.34Å; M14-L17 HydrophobicContact SD-CD1 4.47Å; M14-Y204 HydrophobicContact CE-CD2 4.17Å; M14-Y204 HydrophobicContact CE-CE2 4.27Å |
| 15 | A | 28.3 | Very low | 37.3 | Very low | 79 Ų | 79 | 72.9 Ų | 72.9 | 65% | 0.653 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.1 | -29.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G11 F13 | G11-A15 PolarHBondContact O-N 2.96Å; F13-A15 PolarHBondContact O-N 2.91Å |
| 16 | F | 30.7 | Very low | 39.3 | Very low | 82 Ų | 82 | 72.6 Ų | 72.6 | 36% | 0.36 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -85.2 | -28.7 | -178 | -162.6 | -102.9 | 0 | 0 | 0 | 112.8 | F13 M14 A18 D19 V20 F276 | F13-F16 PolarHBondContact O-N 3.04Å; M14-F16 VanDerWaalsContact C-N 3.34Å; F16-A18 VanDerWaalsContact C-N 3.27Å; F16-A18 PolarHBondContact O-N 3.26Å; F16-D19 PolarHBondContact O-N 2.94Å; F16-D19 VanDerWaalsContact O-N 3.14Å; F16-V20 HydrophobicContact CD1-CG2 3.84Å; F16-V20 HydrophobicContact CE1-CG2 3.64Å; F16-V20 HydrophobicContact CZ-CG2 4.4Å; F16-V20 WeakPolarHBondContact O-CG2 3.41Å; F16-F276 HydrophobicContact CD1-CB 4.5Å; F16-F276 AromaticContact CD1-CD1 3.53Å; F16-F276 HydrophobicContact CD1-CD1 3.53Å; F16-F276 HydrophobicContact CD1-CD2 4.38Å; F16-F276 AromaticContact CD1-CE1 3.72Å; F16-F276 HydrophobicContact CD1-CE1 3.72Å; F16-F276 AromaticContact CD1-CG 3.89Å; F16-F276 HydrophobicContact CD1-CG 3.89Å; F16-F276 HydrophobicContact CD1-CZ 4.23Å; F16-F276 HydrophobicContact CE1-CB 3.6Å; F16-F276 AromaticContact CE1-CD1 3.47Å; F16-F276 HydrophobicContact CE1-CD1 3.47Å; F16-F276 VanDerWaalsContact CE1-CD1 3.47Å; F16-F276 AromaticContact CE1-CD2 3.78Å; F16-F276 HydrophobicContact CE1-CD2 3.78Å; F16-F276 HydrophobicContact CE1-CE1 4.04Å; F16-F276 HydrophobicContact CE1-CE2 4.32Å; F16-F276 AromaticContact CE1-CG 3.32Å; F16-F276 HydrophobicContact CE1-CG 3.32Å; F16-F276 HydrophobicContact CE1-CZ 4.43Å; F16-F276 HydrophobicContact CG-CE1 4.4Å; F16-F276 HydrophobicContact CZ-CB 4.24Å; F16-F276 HydrophobicContact CZ-CD1 4.48Å; F16-F276 HydrophobicContact CZ-CD2 4.03Å; F16-F276 HydrophobicContact CZ-CG 4.01Å |
| 17 | L | 33.6 | Very low | 41.6 | Very low | 13 Ų | 13 | 73.1 Ų | 73.1 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -73.5 | -14.8 | -178.6 | -67.1 | 158.8 | 0 | 0 | 0 | 114.7 | F13 M14 D19 N301 I305 | F13-L17 HydrophobicContact CD1-CD1 4.11Å; F13-L17 HydrophobicContact CD2-CD1 4.01Å; F13-L17 HydrophobicContact CD2-CG 4.28Å; F13-L17 HydrophobicContact CE1-CD1 4.15Å; F13-L17 HydrophobicContact CE2-CD1 3.96Å; F13-L17 HydrophobicContact CE2-CD2 3.97Å; F13-L17 HydrophobicContact CE2-CG 4.13Å; F13-L17 HydrophobicContact CG-CD1 4.03Å; F13-L17 HydrophobicContact CZ-CD1 4.06Å; F13-L17 HydrophobicContact CZ-CD2 4.27Å; F13-L17 WeakPolarHBondContact O-CD1 3.17Å; F13-L17 WeakPolarHBondContact O-CG 3.14Å; F13-L17 PolarHBondContact O-N 2.99Å; M14-L17 HydrophobicContact SD-CD1 4.47Å; L17-D19 PolarHBondContact O-N 3.42Å; L17-N301 HydrophobicContact CD1-CB 3.28Å; L17-N301 WeakPolarHBondContact CD1-ND2 3.41Å; L17-N301 VanDerWaalsContact CD1-OD1 3.23Å; L17-N301 WeakPolarHBondContact CD1-OD1 3.15Å; L17-N301 HydrophobicContact CD2-CB 3.75Å; L17-N301 HydrophobicContact CG-CB 4.15Å; L17-I305 HydrophobicContact CD2-CD1 3.23Å; L17-I305 HydrophobicContact CD2-CG1 3.38Å |
| 18 | A | 31.9 | Very low | 44.2 | Very low | 61 Ų | 61 | 69.7 Ų | 69.7 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F16 R108 | F16-A18 VanDerWaalsContact C-N 3.27Å; F16-A18 PolarHBondContact O-N 3.26Å; A18-R108 PolarHBondContact O-NH1 2.86Å |
| 19 | D | 33 | Very low | 47.2 | Very low | 140 Ų | 140 | 67.2 Ų | 67.2 | 75% | 0.749 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -15 | -171.8 | -108.6 | -19.2 | 0 | 0 | 0 | 115.3 | F16 L17 | F16-D19 PolarHBondContact O-N 2.94Å; F16-D19 VanDerWaalsContact O-N 3.14Å; L17-D19 PolarHBondContact O-N 3.42Å |
| 20 | V | 36.2 | Very low | 49.8 | Very low | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | trans | -105.1 | 21 | -168.9 | -163.7 | 0 | 0 | 0 | 0 | 113.7 | F16 S22 E274 I305 | F16-V20 HydrophobicContact CD1-CG2 3.84Å; F16-V20 HydrophobicContact CE1-CG2 3.64Å; F16-V20 HydrophobicContact CZ-CG2 4.4Å; F16-V20 WeakPolarHBondContact O-CG2 3.41Å; V20-S22 PolarHBondContact O-N 3.26Å; V20-E274 HydrophobicContact CG1-CB 4.17Å; V20-E274 HydrophobicContact CG1-CG 3.63Å; V20-I305 HydrophobicContact CB-CG1 4.23Å; V20-I305 HydrophobicContact CG1-CG1 4.23Å; V20-I305 HydrophobicContact CG1-CG2 3.93Å | ||
| 21 | S | 42.5 | Very low | 52.3 | Low | 21 Ų | 21 | 68.1 Ų | 68.1 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | trans | -76.6 | 87.6 | 171 | 92.1 | 0 | 0 | 0 | 0 | 110.2 | S23 K45 H209 | S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 2.88Å; S21-K45 PolarHBondContact OG-NZ 3.5Å; S21-K45 VanDerWaalsContact OG-NZ 3.11Å; S21-H209 WeakPolarHBondContact CB-CE1 3.31Å | ||
| 22 | S | 41.2 | Very low | 55.1 | Low | 34 Ų | 34 | 66.6 Ų | 66.6 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | trans | -75 | 90.5 | 164.4 | 55 | 0 | 0 | 0 | 0 | 108.5 | V20 L24 L270 E274 | V20-S22 PolarHBondContact O-N 3.26Å; S22-L24 PolarHBondContact O-N 2.93Å; S22-L270 WeakPolarHBondContact OG-CD2 3.37Å; S22-E274 VanDerWaalsContact CB-CD 3.43Å; S22-E274 WeakPolarHBondContact CB-OE1 3.46Å; S22-E274 PolarHBondContact OG-OE2 2.86Å | ||
| 23 | S | 50.7 | Low | 57.9 | Low | 32 Ų | 32 | 66.5 Ų | 66.5 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | trans | -79 | 103.6 | -177.9 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | S21 K45 | S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 2.88Å; S23-K45 VanDerWaalsContact CB-NZ 3.28Å; S23-K45 VanDerWaalsContact OG-CE 3.29Å; S23-K45 WeakPolarHBondContact OG-CE 3.36Å; S23-K45 PolarHBondContact OG-NZ 3.45Å | ||
| 24 | L | 60.3 | Low | 60.5 | Low | 158 Ų | 158 | 73 Ų | 73 | 83% | 0.827 | 41% | 0.413 | S | S | * | . | trans | -121.3 | 105.8 | 149.2 | -90.2 | 99.6 | 0 | 0 | 0 | 108 | S22 | S22-L24 PolarHBondContact O-N 2.93Š| ||
| 25 | Y | 72.7 | Confident | 63.3 | Low | 42 Ų | 42 | 71 Ų | 71 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | trans | -64.6 | 151.4 | 160.3 | -66 | -68.7 | 0 | 0 | 0 | 109.1 | R37 T111 Y207 D210 E211 N213 | Y25-R37 VanDerWaalsContact CB-CD 3.42Å; Y25-T111 WeakPolarHBondContact CD2-O 3.33Å; Y25-T111 VanDerWaalsContact CE2-CB 3.42Å; Y25-T111 HydrophobicContact CE2-CG2 3.63Å; Y25-Y207 PolarHBondContact OH-OH 2.6Å; Y25-D210 VanDerWaalsContact CE1-O 3.29Å; Y25-D210 WeakPolarHBondContact CE1-O 3.5Å; Y25-E211 WeakPolarHBondContact CA-OE2 3.3Å; Y25-N213 HydrophobicContact CE1-CB 3.99Å; Y25-N213 VanDerWaalsContact OH-CB 3.3Å; Y25-N213 WeakPolarHBondContact OH-CB 3.37Å | ||
| 26 | M | 76.6 | Confident | 66.4 | Low | 127 Ų | 127 | 71.8 Ų | 71.8 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | trans | -57 | 150.2 | 171.4 | -68.2 | -170.3 | 65.7 | 0 | 0 | 110.8 | Y28 R37 E211 | M26-Y28 VanDerWaalsContact C-N 3.25Å; M26-Y28 PolarHBondContact O-N 3.39Å; M26-R37 VanDerWaalsContact O-CD 3.3Å; M26-R37 WeakPolarHBondContact O-CD 3.4Å; M26-E211 HydrophobicContact CG-CG 4.4Å; M26-E211 PolarHBondContact N-OE2 3.36Å | ||
| 27 | K | 84.2 | Confident | 69.4 | Low | 109 Ų | 109 | 68.7 Ų | 68.7 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -51.8 | -45.4 | -179.7 | -176 | -176.7 | -177.3 | -155.8 | 0 | 112.1 | E36 R37 | K27-E36 WeakPolarHBondContact CE-OE1 3.38Å; K27-E36 WeakPolarHBondContact CE-OE2 3.41Å; K27-E36 HydrophobicContact CG-CG 4.01Å; K27-E36 VanDerWaalsContact NZ-CD 3.34Å; K27-E36 IonicContact NZ-OE1 3.56Å; K27-E36 PolarHBondContact NZ-OE1 3.5Å; K27-E36 IonicContact NZ-OE2 3.35Å; K27-E36 PolarHBondContact NZ-OE2 3.28Å; K27-E36 CarbonylContact O-C 3.48Å; K27-E36 WeakPolarHBondContact O-CA 3.47Å; K27-R37 PolarHBondContact O-N 2.95Å |
| 28 | Y | 89.2 | Confident | 72.2 | Confident | 96 Ų | 96 | 69.6 Ų | 69.6 | 38% | 0.376 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -103.2 | 143.5 | 179.7 | -60.2 | -69.2 | 0 | 0 | 0 | 111.1 | M26 I35 E36 | M26-Y28 VanDerWaalsContact C-N 3.25Å; M26-Y28 PolarHBondContact O-N 3.39Å; Y28-I35 WeakPolarHBondContact CA-O 3.47Å; Y28-E36 HydrophobicContact CD1-CB 4.14Å; Y28-E36 HydrophobicContact CE1-CB 3.99Å |
| 29 | Y | 89.5 | Confident | 74.8 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 139.4 | 174.2 | -168.6 | -89.8 | 0 | 0 | 0 | 110.9 | G31 T32 I35 R37 Y58 I113 G117 G118 R212 T214 | Y29-G31 PolarHBondContact O-N 3.4Å; Y29-T32 HydrophobicContact CD1-CG2 4.28Å; Y29-T32 WeakPolarHBondContact O-CB 3.32Å; Y29-T32 PolarHBondContact O-N 2.93Å; Y29-T32 PolarHBondContact O-OG1 2.91Å; Y29-I35 PolarHBondContact N-O 3.2Å; Y29-R37 VanDerWaalsContact CD2-NH2 3.3Å; Y29-Y58 AromaticContact CD1-CD1 3.65Å; Y29-Y58 HydrophobicContact CD1-CD1 3.65Å; Y29-Y58 AromaticContact CD1-CE1 3.43Å; Y29-Y58 HydrophobicContact CD1-CE1 3.43Å; Y29-Y58 VanDerWaalsContact CD1-CE1 3.43Å; Y29-Y58 AromaticContact CE1-CD1 3.95Å; Y29-Y58 HydrophobicContact CE1-CD1 3.95Å; Y29-Y58 AromaticContact CE1-CE1 3.63Å; Y29-Y58 HydrophobicContact CE1-CE1 3.63Å; Y29-Y58 HydrophobicContact CG-CD1 4.05Å; Y29-Y58 HydrophobicContact CG-CE1 4.27Å; Y29-I113 HydrophobicContact CD2-CD1 3.62Å; Y29-I113 HydrophobicContact CD2-CG2 4.25Å; Y29-I113 HydrophobicContact CE2-CD1 4.44Å; Y29-I113 HydrophobicContact CG-CD1 3.94Å; Y29-G117 WeakPolarHBondContact OH-CA 3.27Å; Y29-G118 PolarHBondContact OH-N 2.86Å; Y29-R212 WeakPolarHBondContact CE2-O 3.34Å; Y29-R212 VanDerWaalsContact OH-C 3.32Å; Y29-R212 WeakPolarHBondContact OH-CA 3.32Å; Y29-R212 WeakPolarHBondContact OH-CB 3.37Å; Y29-R212 PolarHBondContact OH-O 3.17Å; Y29-T214 HydrophobicContact CE2-CG2 3.77Å |
| 30 | P | 86.6 | Confident | 77.2 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 134.6 | -178.3 | -31 | 36.7 | 0 | 0 | 0 | 114.2 | T32 E211 R212 | P30-T32 PolarHBondContact O-N 3.12Å; P30-E211 WeakPolarHBondContact CD-O 3.37Å; P30-E211 HydrophobicContact CG-CB 3.45Å; P30-E211 VanDerWaalsContact CG-CB 3.45Å; P30-E211 WeakPolarHBondContact CG-O 3.38Å; P30-R212 HydrophobicContact CB-CG 4.35Å; P30-R212 HydrophobicContact CG-CG 4.21Å |
| 31 | G | 86.9 | Confident | 79.2 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 92% | 0.918 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 9.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y29 | Y29-G31 PolarHBondContact O-N 3.4Š|
| 32 | T | 88.7 | Confident | 80.7 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 8% | 0.08 | 43% | 0.43 | C | S | . | . | trans | -129.2 | 142.9 | 176.6 | 79.2 | 0 | 0 | 0 | 0 | 110.2 | Y29 P30 I35 Y58 | Y29-T32 HydrophobicContact CD1-CG2 4.28Å; Y29-T32 WeakPolarHBondContact O-CB 3.32Å; Y29-T32 PolarHBondContact O-N 2.93Å; Y29-T32 PolarHBondContact O-OG1 2.91Å; P30-T32 PolarHBondContact O-N 3.12Å; T32-I35 HydrophobicContact CG2-CB 4.46Å; T32-I35 HydrophobicContact CG2-CG1 4.08Å; T32-I35 WeakPolarHBondContact OG1-CB 3.41Å; T32-Y58 HydrophobicContact CG2-CE1 3.81Å; T32-Y58 HydrophobicContact CG2-CE2 4.2Å | ||
| 33 | N | 85.4 | Confident | 82.5 | Confident | 133 Ų | 133 | 80.4 Ų | 80.4 | 71% | 0.711 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -107.6 | -3.1 | 173.9 | -67.9 | -16.3 | 0 | 0 | 0 | 112.1 | ||
| 34 | Q | 89.4 | Confident | 84.2 | Confident | 154 Ų | 154 | 80 Ų | 80 | 72% | 0.72 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -116.9 | -17.8 | -172.9 | -54.7 | 84.6 | -1.1 | 0 | 0 | 113 | E36 | Q34-E36 PolarHBondContact O-N 2.79Š|
| 35 | I | 92.5 | Very high | 85.4 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.205 | 41% | 0.411 | C | S | . | . | trans | -95.8 | 89.3 | -176.4 | -49.4 | -59.3 | 0 | 0 | 0 | 109.4 | Y28 Y29 T32 Y58 I113 | Y28-I35 WeakPolarHBondContact CA-O 3.47Å; Y29-I35 PolarHBondContact N-O 3.2Å; T32-I35 HydrophobicContact CG2-CB 4.46Å; T32-I35 HydrophobicContact CG2-CG1 4.08Å; T32-I35 WeakPolarHBondContact OG1-CB 3.41Å; I35-Y58 HydrophobicContact CD1-CD2 4.37Å; I35-Y58 HydrophobicContact CG1-CD2 4.01Å; I35-Y58 HydrophobicContact CG1-CE2 4.45Å; I35-Y58 HydrophobicContact CG1-CG 4.22Å; I35-Y58 HydrophobicContact CG2-CG 4.25Å; I35-I113 HydrophobicContact CG2-CD1 3.56Å; I35-I113 HydrophobicContact CG2-CG1 4.43Å | ||
| 36 | E | 93.5 | Very high | 86.2 | Confident | 95 Ų | 95 | 74.1 Ų | 74.1 | 44% | 0.444 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -80.4 | 127 | 176.9 | 177.2 | 167.7 | 173.6 | 0 | 0 | 111 | K27 Y28 Q34 P56 | K27-E36 WeakPolarHBondContact CE-OE1 3.38Å; K27-E36 WeakPolarHBondContact CE-OE2 3.41Å; K27-E36 HydrophobicContact CG-CG 4.01Å; K27-E36 VanDerWaalsContact NZ-CD 3.34Å; K27-E36 IonicContact NZ-OE1 3.56Å; K27-E36 PolarHBondContact NZ-OE1 3.5Å; K27-E36 IonicContact NZ-OE2 3.35Å; K27-E36 PolarHBondContact NZ-OE2 3.28Å; K27-E36 CarbonylContact O-C 3.48Å; K27-E36 WeakPolarHBondContact O-CA 3.47Å; Y28-E36 HydrophobicContact CD1-CB 4.14Å; Y28-E36 HydrophobicContact CE1-CB 3.99Å; Q34-E36 PolarHBondContact O-N 2.79Å; E36-P56 WeakPolarHBondContact O-CG 3.26Å |
| 37 | R | 92 | Very high | 87 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 6% | 0.064 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 138 | 173.7 | -65.2 | -177.9 | 175.5 | -98.8 | 0.2 | 110.4 | Y25 M26 K27 Y29 T111 G112 I113 E211 N213 | Y25-R37 VanDerWaalsContact CB-CD 3.42Å; M26-R37 VanDerWaalsContact O-CD 3.3Å; M26-R37 WeakPolarHBondContact O-CD 3.4Å; K27-R37 PolarHBondContact O-N 2.95Å; Y29-R37 VanDerWaalsContact CD2-NH2 3.3Å; R37-T111 PolarHBondContact NH1-O 3.47Å; R37-G112 CarbonylContact C-O 3.52Å; R37-G112 WeakPolarHBondContact CA-O 3.5Å; R37-I113 HydrophobicContact CG-CB 4.33Å; R37-E211 PolarHBondContact NH2-O 3.5Å; R37-N213 PolarHBondContact NH1-O 3.23Å; R37-N213 PolarHBondContact NH2-O 2.91Å |
| 38 | A | 92.7 | Very high | 87.2 | Confident | 32 Ų | 32 | 74 Ų | 74 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 139.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V40 Y53 P55 G112 | A38-V40 PolarHBondContact O-N 3.45Å; A38-Y53 HydrophobicContact CB-CE2 4.36Å; A38-P55 HydrophobicContact CB-CB 4.28Å; A38-G112 PolarHBondContact N-O 2.95Å; A38-G112 WeakPolarHBondContact O-CA 3.17Å |
| 39 | A | 87.2 | Confident | 87.2 | Confident | 104 Ų | 104 | 72.9 Ų | 72.9 | 86% | 0.86 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 125.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 40 | V | 83.8 | Confident | 87.1 | Confident | 34 Ų | 34 | 80.6 Ų | 80.6 | 21% | 0.206 | 46% | 0.457 | C | S | . | . | trans | -123.6 | 112.3 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | A38 K45 Y53 R110 | A38-V40 PolarHBondContact O-N 3.45Å; V40-K45 HydrophobicContact CG1-CB 4.06Å; V40-K45 HydrophobicContact CG1-CG 4.28Å; V40-Y53 HydrophobicContact CG2-CE2 4.07Å; V40-R110 HydrophobicContact CG1-CB 3.95Å; V40-R110 HydrophobicContact CG2-CB 3.98Å | ||
| 41 | N | 78.5 | Confident | 87.2 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | trans | -87.7 | 165.5 | 172.8 | 64.1 | 25.2 | 0 | 0 | 0 | 110.5 | S43 S44 K45 | N41-S43 PolarHBondContact O-N 3.41Å; N41-S43 VanDerWaalsContact O-N 3.15Å; N41-S43 PolarHBondContact OD1-N 3.41Å; N41-S43 PolarHBondContact OD1-OG 2.98Å; N41-S44 PolarHBondContact N-OG 3.08Å; N41-S44 VanDerWaalsContact N-OG 3.15Å; N41-S44 PolarHBondContact O-N 2.84Å; N41-S44 PolarHBondContact O-OG 2.84Å; N41-S44 WeakPolarHBondContact OD1-CB 3.34Å; N41-S44 PolarHBondContact OD1-N 2.87Å; N41-S44 PolarHBondContact OD1-OG 3.07Å; N41-K45 PolarHBondContact O-N 3.17Å | ||
| 42 | K | 73 | Confident | 87.3 | Confident | 181 Ų | 181 | 83.3 Ų | 83.3 | 79% | 0.787 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -37.8 | -179.3 | -173.4 | 174 | -178.9 | 172.9 | 0 | 112.5 | ||
| 43 | S | 80.3 | Confident | 87.5 | Confident | 87 Ų | 87 | 85.1 Ų | 85.1 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.3 | -179 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | N41 L49 | N41-S43 PolarHBondContact O-N 3.41Å; N41-S43 VanDerWaalsContact O-N 3.15Å; N41-S43 PolarHBondContact OD1-N 3.41Å; N41-S43 PolarHBondContact OD1-OG 2.98Å; S43-L49 WeakPolarHBondContact O-CD1 3.38Å |
| 44 | S | 85.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 88.4 Ų | 88.4 | 17% | 0.168 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -1.3 | 177 | 56.8 | 0 | 0 | 0 | 0 | 113 | N41 S46 R110 | N41-S44 PolarHBondContact N-OG 3.08Å; N41-S44 VanDerWaalsContact N-OG 3.15Å; N41-S44 PolarHBondContact O-N 2.84Å; N41-S44 PolarHBondContact O-OG 2.84Å; N41-S44 WeakPolarHBondContact OD1-CB 3.34Å; N41-S44 PolarHBondContact OD1-N 2.87Å; N41-S44 PolarHBondContact OD1-OG 3.07Å; S44-S46 PolarHBondContact O-N 2.88Å; S44-R110 WeakPolarHBondContact O-CD 3.39Å; S44-R110 PolarHBondContact O-NH1 2.96Å |
| 45 | K | 85.4 | Confident | 88.1 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 12% | 0.122 | 43% | 0.432 | C | S | . | . | trans | -66 | -39.4 | -174.3 | -165.7 | -178.7 | -172.3 | -175.6 | 0 | 113.7 | S21 S23 V40 N41 R108 G109 R110 | S21-K45 PolarHBondContact OG-NZ 3.5Å; S21-K45 VanDerWaalsContact OG-NZ 3.11Å; S23-K45 VanDerWaalsContact CB-NZ 3.28Å; S23-K45 VanDerWaalsContact OG-CE 3.29Å; S23-K45 WeakPolarHBondContact OG-CE 3.36Å; S23-K45 PolarHBondContact OG-NZ 3.45Å; V40-K45 HydrophobicContact CG1-CB 4.06Å; V40-K45 HydrophobicContact CG1-CG 4.28Å; N41-K45 PolarHBondContact O-N 3.17Å; K45-R108 WeakPolarHBondContact CE-O 3.36Å; K45-G109 CarbonylContact O-C 3.54Å; K45-G109 WeakPolarHBondContact O-CA 3.21Å; K45-R110 PolarHBondContact O-N 3.11Å | ||
| 46 | S | 90.2 | Very high | 88.3 | Confident | 48 Ų | 48 | 82 Ų | 82 | 34% | 0.336 | 44% | 0.438 | S | S | . | . | trans | -71.2 | 131.8 | -172.8 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | S44 Q48 L49 R110 | S44-S46 PolarHBondContact O-N 2.88Å; S46-Q48 PolarHBondContact O-N 3.21Å; S46-Q48 VanDerWaalsContact O-N 3.15Å; S46-Q48 WeakPolarHBondContact OG-CB 3.5Å; S46-Q48 PolarHBondContact OG-N 3.07Å; S46-L49 PolarHBondContact O-N 3.48Å; S46-L49 VanDerWaalsContact O-N 3.15Å; S46-R110 PolarHBondContact O-NH1 3.17Å | ||
| 47 | W | 92.6 | Very high | 88.3 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 25% | 0.25 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.3 | 171.9 | -63.8 | 117.4 | 0 | 0 | 0 | 114.1 | L49 Y53 L105 N106 R110 D215 | W47-L49 PolarHBondContact O-N 3.16Å; W47-Y53 HydrophobicContact CH2-CE1 4.1Å; W47-Y53 HydrophobicContact CZ3-CD1 4.24Å; W47-Y53 HydrophobicContact CZ3-CE1 4.23Å; W47-L105 HydrophobicContact CD2-CB 4.37Å; W47-L105 HydrophobicContact CD2-CD1 4.28Å; W47-L105 HydrophobicContact CD2-CD2 4.41Å; W47-L105 HydrophobicContact CE3-CD2 4.42Å; W47-L105 HydrophobicContact CG-CB 4.43Å; W47-L105 HydrophobicContact CG-CD1 4.31Å; W47-L105 HydrophobicContact CH2-CD2 4.22Å; W47-L105 HydrophobicContact CZ2-CB 4.49Å; W47-L105 HydrophobicContact CZ2-CD2 4.2Å; W47-L105 HydrophobicContact CZ3-CD2 4.33Å; W47-N106 PolarHBondContact NE1-O 2.86Å; W47-R110 HydrophobicContact CD2-CG 4.25Å; W47-R110 HydrophobicContact CE3-CG 3.9Å; W47-R110 HydrophobicContact CH2-CB 4.48Å; W47-R110 HydrophobicContact CH2-CG 3.67Å; W47-R110 HydrophobicContact CZ2-CG 4.03Å; W47-R110 HydrophobicContact CZ3-CG 3.6Å; W47-D215 HydrophobicContact CH2-CB 3.83Å; W47-D215 HydrophobicContact CZ2-CB 3.85Å |
| 48 | Q | 90 | Very high | 88.5 | Confident | 167 Ų | 167 | 82 Ų | 82 | 78% | 0.78 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.3 | 175.8 | -66 | 175.6 | -20 | 0 | 0 | 112.8 | S46 | S46-Q48 PolarHBondContact O-N 3.21Å; S46-Q48 VanDerWaalsContact O-N 3.15Å; S46-Q48 WeakPolarHBondContact OG-CB 3.5Å; S46-Q48 PolarHBondContact OG-N 3.07Å |
| 49 | L | 88.2 | Confident | 88.6 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 38% | 0.377 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -88.6 | 120.7 | 179.6 | -61 | 170.6 | 0 | 0 | 0 | 109.8 | S43 S46 W47 L51 R110 | S43-L49 WeakPolarHBondContact O-CD1 3.38Å; S46-L49 PolarHBondContact O-N 3.48Å; S46-L49 VanDerWaalsContact O-N 3.15Å; W47-L49 PolarHBondContact O-N 3.16Å; L49-L51 HydrophobicContact CB-CD1 3.9Å; L49-L51 HydrophobicContact CB-CG 4.22Å; L49-L51 HydrophobicContact CD1-CD1 4.33Å; L49-L51 PolarHBondContact O-N 3.16Å; L49-R110 PolarHBondContact O-NH2 3.36Å |
| 50 | D | 86.6 | Confident | 88.8 | Confident | 165 Ų | 165 | 82.3 Ų | 82.3 | 88% | 0.882 | 43% | 0.426 | S | S | * | . | trans | -79.9 | 100.2 | 172.4 | -169.5 | 20 | 0 | 0 | 0 | 109.4 | ||||
| 51 | L | 88.6 | Confident | 89.2 | Confident | 82 Ų | 82 | 86 Ų | 86 | 43% | 0.429 | 45% | 0.451 | S | S | . | . | trans | -140.8 | 140.3 | -176.2 | -69.4 | 167.6 | 0 | 0 | 0 | 108.6 | L49 Y53 | L49-L51 HydrophobicContact CB-CD1 3.9Å; L49-L51 HydrophobicContact CB-CG 4.22Å; L49-L51 HydrophobicContact CD1-CD1 4.33Å; L49-L51 PolarHBondContact O-N 3.16Å; L51-Y53 PolarHBondContact O-N 2.75Å; L51-Y53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | P | 89.7 | Confident | 89.6 | Confident | 113 Ų | 113 | 83.2 Ų | 83.2 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | trans | -56 | 118.2 | 171.2 | -23.4 | 33.2 | 0 | 0 | 0 | 110.4 | Y54 | P52-Y54 HydrophobicContact CB-CE2 3.83Š| ||
| 53 | Y | 92.6 | Very high | 90.2 | Very high | 52 Ų | 52 | 83.6 Ų | 83.6 | 20% | 0.204 | 44% | 0.443 | C | S | . | . | trans | -142.2 | 111.1 | -174.9 | -179.1 | -121.8 | 0 | 0 | 0 | 110.5 | A38 V40 W47 L51 P55 R110 G112 D215 | A38-Y53 HydrophobicContact CB-CE2 4.36Å; V40-Y53 HydrophobicContact CG2-CE2 4.07Å; W47-Y53 HydrophobicContact CH2-CE1 4.1Å; W47-Y53 HydrophobicContact CZ3-CD1 4.24Å; W47-Y53 HydrophobicContact CZ3-CE1 4.23Å; L51-Y53 PolarHBondContact O-N 2.75Å; L51-Y53 VanDerWaalsContact O-N 3.1Å; Y53-P55 VanDerWaalsContact C-CD 3.48Å; Y53-P55 HydrophobicContact CD1-CG 4.08Å; Y53-P55 HydrophobicContact CE1-CB 4.18Å; Y53-P55 HydrophobicContact CE1-CG 3.51Å; Y53-P55 HydrophobicContact CE2-CB 4.11Å; Y53-P55 HydrophobicContact CE2-CG 4.23Å; Y53-P55 WeakPolarHBondContact O-CD 3.36Å; Y53-R110 VanDerWaalsContact CD1-CD 3.47Å; Y53-R110 HydrophobicContact CD1-CG 3.98Å; Y53-R110 HydrophobicContact CE1-CB 4.02Å; Y53-R110 HydrophobicContact CE1-CG 3.59Å; Y53-R110 HydrophobicContact CE2-CB 4.46Å; Y53-G112 WeakPolarHBondContact OH-CA 3.43Å; Y53-G112 PolarHBondContact OH-N 3.28Å; Y53-D215 WeakPolarHBondContact CE1-OD2 3.49Å; Y53-D215 PolarHBondContact OH-OD1 2.57Å; Y53-D215 PolarHBondContact OH-OD2 2.83Å; Y53-D215 VanDerWaalsContact OH-OD2 3.07Å | ||
| 54 | Y | 93.1 | Very high | 90.4 | Very high | 202 Ų | 202 | 81.6 Ų | 81.6 | 79% | 0.792 | 43% | 0.429 | S | S | * | . | trans | -127.9 | 66.7 | -173.7 | -54.7 | -76.6 | 0 | 0 | 0 | 110.6 | P52 | P52-Y54 HydrophobicContact CB-CE2 3.83Š| ||
| 55 | P | 95 | Very high | 90.1 | Very high | 10 Ų | 10 | 88 Ų | 88 | 7% | 0.065 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 151.4 | 178.9 | 31.5 | -37.2 | 0 | 0 | 0 | 111 | A38 Y53 G112 R114 | A38-P55 HydrophobicContact CB-CB 4.28Å; Y53-P55 VanDerWaalsContact C-CD 3.48Å; Y53-P55 HydrophobicContact CD1-CG 4.08Å; Y53-P55 HydrophobicContact CE1-CB 4.18Å; Y53-P55 HydrophobicContact CE1-CG 3.51Å; Y53-P55 HydrophobicContact CE2-CB 4.11Å; Y53-P55 HydrophobicContact CE2-CG 4.23Å; Y53-P55 WeakPolarHBondContact O-CD 3.36Å; P55-G112 WeakPolarHBondContact CB-O 3.49Å; P55-R114 HydrophobicContact CG-CB 3.95Å; P55-R114 HydrophobicContact CG-CG 4.08Å; P55-R114 PolarHBondContact O-NE 2.88Å |
| 56 | P | 95.8 | Very high | 89.9 | Confident | 49 Ų | 49 | 93.2 Ų | 93.2 | 32% | 0.318 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 148.4 | 170.5 | 16.8 | -20 | 0 | 0 | 0 | 110.8 | E36 G112 I113 R114 | E36-P56 WeakPolarHBondContact O-CG 3.26Å; P56-G112 WeakPolarHBondContact CD-O 3.02Å; P56-I113 WeakPolarHBondContact O-CG1 3.29Å; P56-R114 WeakPolarHBondContact O-CG 3.45Å; P56-R114 PolarHBondContact O-N 2.74Å |
| 57 | A | 94.8 | Very high | 89.6 | Confident | 59 Ų | 59 | 94.5 Ų | 94.5 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R114 | A57-R114 WeakPolarHBondContact CA-O 3.3Å; A57-R114 HydrophobicContact CB-CG 3.83Å |
| 58 | Y | 95.3 | Very high | 89.6 | Confident | 53 Ų | 53 | 91.7 Ų | 91.7 | 21% | 0.208 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 129.3 | 173.7 | 179.9 | -117.7 | 0 | 0 | 0 | 111.2 | Y29 T32 I35 I113 R114 G115 R116 G117 | Y29-Y58 AromaticContact CD1-CD1 3.65Å; Y29-Y58 HydrophobicContact CD1-CD1 3.65Å; Y29-Y58 AromaticContact CD1-CE1 3.43Å; Y29-Y58 HydrophobicContact CD1-CE1 3.43Å; Y29-Y58 VanDerWaalsContact CD1-CE1 3.43Å; Y29-Y58 AromaticContact CE1-CD1 3.95Å; Y29-Y58 HydrophobicContact CE1-CD1 3.95Å; Y29-Y58 AromaticContact CE1-CE1 3.63Å; Y29-Y58 HydrophobicContact CE1-CE1 3.63Å; Y29-Y58 HydrophobicContact CG-CD1 4.05Å; Y29-Y58 HydrophobicContact CG-CE1 4.27Å; T32-Y58 HydrophobicContact CG2-CE1 3.81Å; T32-Y58 HydrophobicContact CG2-CE2 4.2Å; I35-Y58 HydrophobicContact CD1-CD2 4.37Å; I35-Y58 HydrophobicContact CG1-CD2 4.01Å; I35-Y58 HydrophobicContact CG1-CE2 4.45Å; I35-Y58 HydrophobicContact CG1-CG 4.22Å; I35-Y58 HydrophobicContact CG2-CG 4.25Å; Y58-I113 HydrophobicContact CD1-CD1 4.39Å; Y58-R114 PolarHBondContact N-O 3.13Å; Y58-G115 CarbonylContact O-C 3.56Å; Y58-G115 WeakPolarHBondContact O-CA 3.49Å; Y58-R116 PolarHBondContact O-N 2.84Å; Y58-G117 WeakPolarHBondContact O-CA 3.46Å; Y58-G117 PolarHBondContact O-N 2.88Å |
| 59 | S | 94.7 | Very high | 89.6 | Confident | 28 Ų | 28 | 84 Ų | 84 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 121.8 | 168.3 | -67.1 | 0 | 0 | 0 | 0 | 107.2 | R116 G117 Y122 | S59-R116 PolarHBondContact OG-N 2.76Å; S59-G117 WeakPolarHBondContact CA-O 3.22Å; S59-Y122 PolarHBondContact OG-OH 2.92Å |
| 60 | K | 92.7 | Very high | 89.4 | Confident | 114 Ų | 114 | 81.2 Ų | 81.2 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 131.5 | 173.5 | -172.8 | 179.3 | 177.6 | -176.1 | 0 | 108.4 | R116 G117 | K60-R116 PolarHBondContact O-NH1 3.16Å; K60-R116 PolarHBondContact O-NH2 2.77Å; K60-R116 VanDerWaalsContact O-NH2 3.1Å; K60-G117 PolarHBondContact N-O 2.83Å |
| 61 | P | 90.7 | Very high | 88.9 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 73% | 0.734 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 144 | 176 | -27.2 | 35.1 | 0 | 0 | 0 | 111.9 | ||
| 62 | C | 87.8 | Confident | 88 | Confident | 34 Ų | 34 | 78 Ų | 78 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 135.3 | 175.8 | -79.6 | 0 | 0 | 0 | 0 | 111.2 | C68 R116 | C62-C68 WeakPolarHBondContact CA-SG 2.98Å; C62-C68 HydrophobicContact CB-CB 4.39Å; C62-C68 WeakPolarHBondContact CB-SG 3.24Å; C62-C68 WeakPolarHBondContact SG-CB 3.45Å; C62-C68 PolarHBondContact SG-O 3.06Å; C62-C68 VanDerWaalsContact SG-O 3.36Å; C62-C68 CovalentContact SG-SG 2.02Å; C62-C68 PolarHBondContact SG-SG 3.18Å; C62-R116 PolarHBondContact SG-NH2 3.28Å |
| 63 | E | 85.2 | Confident | 87 | Confident | 190 Ų | 190 | 76.6 Ų | 76.6 | 89% | 0.888 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -70.6 | -37 | 168.6 | -67.8 | 179.8 | -174.4 | 0 | 0 | 111 | ||
| 64 | S | 84.2 | Confident | 85.8 | Confident | 45 Ų | 45 | 82.9 Ų | 82.9 | 32% | 0.315 | 44% | 0.444 | S | S | . | . | trans | -143.7 | 146.2 | 171.7 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | D66 T67 C68 | S64-D66 PolarHBondContact O-N 2.92Å; S64-D66 PolarHBondContact OG-N 3.2Å; S64-T67 PolarHBondContact O-N 3.36Å; S64-T67 PolarHBondContact O-OG1 3.22Å; S64-T67 VanDerWaalsContact O-OG1 3.07Å; S64-C68 PolarHBondContact O-N 3.08Å | ||
| 65 | F | 79.4 | Confident | 85.1 | Confident | 157 Ų | 157 | 76.8 Ų | 76.8 | 69% | 0.689 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.1 | 174.3 | -65.3 | -64.1 | 0 | 0 | 0 | 113.1 | A70 | F65-A70 HydrophobicContact CD1-CB 3.73Å; F65-A70 HydrophobicContact CE1-CB 3.51Å |
| 66 | D | 80.7 | Confident | 84.7 | Confident | 139 Ų | 139 | 79.4 Ų | 79.4 | 74% | 0.743 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -30.2 | 174.7 | -59.9 | -37.1 | 0 | 0 | 0 | 111.5 | S64 R121 | S64-D66 PolarHBondContact O-N 2.92Å; S64-D66 PolarHBondContact OG-N 3.2Å; D66-R121 PolarHBondContact O-NH2 3.32Å |
| 67 | T | 84.8 | Confident | 84.2 | Confident | 74 Ų | 74 | 78 Ų | 78 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -21.5 | -172.7 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | S64 | S64-T67 PolarHBondContact O-N 3.36Å; S64-T67 PolarHBondContact O-OG1 3.22Å; S64-T67 VanDerWaalsContact O-OG1 3.07Å |
| 68 | C | 91.3 | Very high | 84 | Confident | 7 Ų | 7 | 80.7 Ų | 80.7 | 5% | 0.047 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -152.1 | 162.8 | 172.3 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | C62 S64 L120 | C62-C68 WeakPolarHBondContact CA-SG 2.98Å; C62-C68 HydrophobicContact CB-CB 4.39Å; C62-C68 WeakPolarHBondContact CB-SG 3.24Å; C62-C68 WeakPolarHBondContact SG-CB 3.45Å; C62-C68 PolarHBondContact SG-O 3.06Å; C62-C68 VanDerWaalsContact SG-O 3.36Å; C62-C68 CovalentContact SG-SG 2.02Å; C62-C68 PolarHBondContact SG-SG 3.18Å; S64-C68 PolarHBondContact O-N 3.08Å; C68-L120 VanDerWaalsContact CA-O 3.3Å; C68-L120 WeakPolarHBondContact CA-O 3.36Å; C68-L120 HydrophobicContact CB-CB 4.2Å; C68-L120 HydrophobicContact CB-CD2 3.95Å; C68-L120 WeakPolarHBondContact CB-O 3.34Å |
| 69 | D | 91.3 | Very high | 84 | Confident | 6 Ų | 6 | 79.3 Ų | 79.3 | 3% | 0.032 | 45% | 0.445 | C | S | . | . | trans | -78.9 | 119.3 | -176.5 | -76.7 | 5.8 | 0 | 0 | 0 | 111.8 | W73 R88 R116 L120 R121 Y122 | D69-W73 HydrophobicContact CB-CH2 3.31Å; D69-W73 HydrophobicContact CB-CZ2 3.4Å; D69-W73 HydrophobicContact CB-CZ3 4.49Å; D69-R88 VanDerWaalsContact CG-NH2 3.31Å; D69-R88 IonicContact OD1-CZ 3.58Å; D69-R88 IonicContact OD1-NH1 2.63Å; D69-R88 IonicContact OD1-NH2 2.74Å; D69-R88 PolarHBondContact OD1-NH2 3.43Å; D69-R88 IonicContact OD2-CZ 3.54Å; D69-R88 IonicContact OD2-NH1 2.74Å; D69-R88 PolarHBondContact OD2-NH1 3.5Å; D69-R88 IonicContact OD2-NH2 3.27Å; D69-R88 PolarHBondContact OD2-NH2 2.94Å; D69-R88 VanDerWaalsContact OD2-NH2 3.1Å; D69-R116 PolarHBondContact O-NE 3.36Å; D69-R116 PolarHBondContact O-NH2 2.73Å; D69-L120 PolarHBondContact N-O 3.18Å; D69-R121 VanDerWaalsContact OD1-CD 3.3Å; D69-R121 WeakPolarHBondContact OD1-CD 3.38Å; D69-R121 IonicContact OD1-CZ 3.46Å; D69-R121 IonicContact OD1-NH1 2.82Å; D69-R121 PolarHBondContact OD1-NH1 3.3Å; D69-R121 VanDerWaalsContact OD1-NH1 3.1Å; D69-R121 VanDerWaalsContact OD2-CA 3.32Å; D69-R121 WeakPolarHBondContact OD2-CA 3.3Å; D69-Y122 HydrophobicContact CB-CD2 3.73Å; D69-Y122 HydrophobicContact CB-CE2 4.33Å; D69-Y122 PolarHBondContact OD2-N 2.95Å | ||
| 70 | A | 83.7 | Confident | 84.1 | Confident | 14 Ų | 14 | 80 Ų | 80 | 12% | 0.116 | 45% | 0.446 | C | S | . | . | trans | -62.9 | 152.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F65 S72 W73 | F65-A70 HydrophobicContact CD1-CB 3.73Å; F65-A70 HydrophobicContact CE1-CB 3.51Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-W73 WeakPolarHBondContact O-CZ2 3.16Å; A70-W73 PolarHBondContact O-NE1 3.01Å | ||
| 71 | S | 75.9 | Confident | 84.3 | Confident | 84 Ų | 84 | 81.2 Ų | 81.2 | 59% | 0.587 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -75.4 | -21.2 | 171.6 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 72 | S | 70.4 | Confident | 84.5 | Confident | 94 Ų | 94 | 79.9 Ų | 79.9 | 66% | 0.657 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -103.3 | 93.9 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | A70 | A70-S72 VanDerWaalsContact C-N 3.32Š|
| 73 | W | 68 | Low | 84.7 | Confident | 84 Ų | 84 | 79.3 Ų | 79.3 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | trans | -86.3 | 130.6 | 176.9 | -58.5 | 112.1 | 0 | 0 | 0 | 111 | D69 A70 A75 P77 Y122 | D69-W73 HydrophobicContact CB-CH2 3.31Å; D69-W73 HydrophobicContact CB-CZ2 3.4Å; D69-W73 HydrophobicContact CB-CZ3 4.49Å; A70-W73 WeakPolarHBondContact O-CZ2 3.16Å; A70-W73 PolarHBondContact O-NE1 3.01Å; W73-A75 VanDerWaalsContact C-N 3.33Å; W73-P77 HydrophobicContact CD2-CG 3.91Å; W73-P77 HydrophobicContact CE3-CG 3.98Å; W73-P77 HydrophobicContact CH2-CG 3.57Å; W73-P77 HydrophobicContact CZ2-CG 3.48Å; W73-P77 VanDerWaalsContact CZ2-CG 3.48Å; W73-P77 HydrophobicContact CZ3-CG 3.85Å; W73-Y122 AromaticContact CZ2-CD2 3.6Å; W73-Y122 HydrophobicContact CZ2-CD2 3.6Å; W73-Y122 HydrophobicContact CZ2-CE2 4.09Å; W73-Y122 HydrophobicContact CZ2-CG 4.36Å; W73-Y122 AromaticContact NE1-CD2 3.86Å; W73-Y122 AromaticContact NE1-CE2 3.78Å | ||
| 74 | I | 66.4 | Low | 84.9 | Confident | 185 Ų | 185 | 77.6 Ų | 77.6 | 95% | 0.949 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -70.8 | -37 | 167.3 | -60.2 | 172.9 | 0 | 0 | 0 | 109.7 | ||
| 75 | A | 79.6 | Confident | 85.3 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 61% | 0.612 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -143.5 | 151.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | W73 | W73-A75 VanDerWaalsContact C-N 3.33Š|
| 76 | C | 86.1 | Confident | 85.9 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 43% | 0.432 | 41% | 0.411 | S | S | . | . | trans | -63.3 | 131.2 | -177.6 | -46 | 0 | 0 | 0 | 0 | 110.3 | C102 | C76-C102 HydrophobicContact CB-CB 3.53Å; C76-C102 WeakPolarHBondContact CB-SG 3.45Å; C76-C102 WeakPolarHBondContact SG-CB 3.37Å; C76-C102 CovalentContact SG-SG 2Å; C76-C102 PolarHBondContact SG-SG 3.33Å | ||
| 77 | P | 85.8 | Confident | 86.7 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | trans | -54.2 | 151.4 | 172.6 | -25.6 | 33.2 | 0 | 0 | 0 | 111.6 | W73 Y79 | W73-P77 HydrophobicContact CD2-CG 3.91Å; W73-P77 HydrophobicContact CE3-CG 3.98Å; W73-P77 HydrophobicContact CH2-CG 3.57Å; W73-P77 HydrophobicContact CZ2-CG 3.48Å; W73-P77 VanDerWaalsContact CZ2-CG 3.48Å; W73-P77 HydrophobicContact CZ3-CG 3.85Å; P77-Y79 HydrophobicContact CB-CD1 4.3Å; P77-Y79 HydrophobicContact CB-CE1 3.94Å; P77-Y79 HydrophobicContact CB-CE2 4.35Å; P77-Y79 HydrophobicContact CG-CE1 4.09Å; P77-Y79 HydrophobicContact CG-CE2 4.36Å; P77-Y79 VanDerWaalsContact O-CD2 3.24Å; P77-Y79 WeakPolarHBondContact O-CD2 3.43Å; P77-Y79 PolarHBondContact O-N 3.26Å | ||
| 78 | N | 90.6 | Very high | 87.2 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | trans | -70.2 | 76.1 | 170.8 | -70.4 | -28.5 | 0 | 0 | 0 | 109.8 | Y81 R88 | N78-Y81 HydrophobicContact CB-CD1 4.2Å; N78-Y81 WeakPolarHBondContact O-CB 3.42Å; N78-R88 WeakPolarHBondContact O-CD 3.27Å | ||
| 79 | Y | 94.9 | Very high | 87.5 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 155.2 | 175.9 | -64.5 | -60.7 | 0 | 0 | 0 | 111 | P77 Y81 Y96 V98 C102 P104 | P77-Y79 HydrophobicContact CB-CD1 4.3Å; P77-Y79 HydrophobicContact CB-CE1 3.94Å; P77-Y79 HydrophobicContact CB-CE2 4.35Å; P77-Y79 HydrophobicContact CG-CE1 4.09Å; P77-Y79 HydrophobicContact CG-CE2 4.36Å; P77-Y79 VanDerWaalsContact O-CD2 3.24Å; P77-Y79 WeakPolarHBondContact O-CD2 3.43Å; P77-Y79 PolarHBondContact O-N 3.26Å; Y79-Y81 PolarHBondContact O-N 2.93Å; Y79-Y81 VanDerWaalsContact O-N 3.11Å; Y79-Y96 HydrophobicContact CD1-CE2 4.09Å; Y79-Y96 WeakPolarHBondContact CD1-OH 3.28Å; Y79-Y96 HydrophobicContact CG-CE2 4.17Å; Y79-V98 HydrophobicContact CD2-CB 4.3Å; Y79-V98 HydrophobicContact CD2-CG1 3.73Å; Y79-V98 HydrophobicContact CD2-CG2 3.57Å; Y79-V98 HydrophobicContact CE2-CG1 3.81Å; Y79-V98 HydrophobicContact CE2-CG2 4.32Å; Y79-V98 HydrophobicContact CG-CG2 3.78Å; Y79-C102 VanDerWaalsContact CE2-O 3.25Å; Y79-C102 WeakPolarHBondContact CE2-O 3.35Å; Y79-C102 PolarHBondContact OH-O 3.34Å; Y79-P104 HydrophobicContact CD1-CB 4.44Å; Y79-P104 HydrophobicContact CD1-CG 4.46Å; Y79-P104 HydrophobicContact CE1-CB 4.33Å; Y79-P104 HydrophobicContact CE1-CG 3.91Å; Y79-P104 WeakPolarHBondContact OH-CD 3.46Å |
| 80 | N | 96.9 | Very high | 87.7 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.23 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 22.7 | -178.1 | -58.5 | -68.7 | 0 | 0 | 0 | 114.3 | R88 R89 T95 Y96 | N80-R88 PolarHBondContact N-O 3.4Å; N80-R89 WeakPolarHBondContact O-CG 3.32Å; N80-T95 HydrophobicContact CB-CG2 4.17Å; N80-T95 VanDerWaalsContact OD1-CA 3.3Å; N80-T95 WeakPolarHBondContact OD1-CA 3.47Å; N80-Y96 PolarHBondContact N-OH 3.26Å; N80-Y96 VanDerWaalsContact N-OH 3.09Å; N80-Y96 PolarHBondContact ND2-O 2.92Å; N80-Y96 WeakPolarHBondContact OD1-CD1 3.41Å; N80-Y96 WeakPolarHBondContact OD1-CE1 3.37Å; N80-Y96 PolarHBondContact OD1-N 3.18Å |
| 81 | Y | 96.1 | Very high | 87.9 | Confident | 139 Ų | 139 | 69.9 Ų | 69.9 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | trans | -132.1 | 154.2 | -179 | -176.3 | -105.4 | 0 | 0 | 0 | 111.2 | N78 Y79 R88 | N78-Y81 HydrophobicContact CB-CD1 4.2Å; N78-Y81 WeakPolarHBondContact O-CB 3.42Å; Y79-Y81 PolarHBondContact O-N 2.93Å; Y79-Y81 VanDerWaalsContact O-N 3.11Å; Y81-R88 WeakPolarHBondContact O-CB 3.46Å; Y81-R88 PolarHBondContact O-N 2.81Å | ||
| 82 | Y | 95.3 | Very high | 88.4 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 33% | 0.329 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.8 | 169.9 | 169.8 | -103.5 | 0 | 0 | 0 | 108.9 | D87 E162 | Y82-D87 HydrophobicContact CD2-CB 3.69Å; Y82-D87 HydrophobicContact CE2-CB 4.39Å; Y82-E162 HydrophobicContact CE2-CG 4.23Å; Y82-E162 PolarHBondContact OH-OE1 3.49Å; Y82-E162 VanDerWaalsContact OH-OE1 3.13Å |
| 83 | G | 92.8 | Very high | 89.2 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 158.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N85 V86 | G83-N85 PolarHBondContact O-N 2.72Å; G83-V86 PolarHBondContact N-O 2.86Å; G83-V86 VanDerWaalsContact N-O 3.17Å; G83-V86 PolarHBondContact O-N 3.2Å |
| 84 | N | 88.8 | Confident | 90.4 | Very high | 155 Ų | 155 | 65.8 Ų | 65.8 | 83% | 0.829 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.3 | -176.6 | -57.6 | -25.7 | 0 | 0 | 0 | 113.3 | V86 | N84-V86 PolarHBondContact O-N 3.5Š|
| 85 | N | 91.8 | Very high | 91.8 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 21.8 | -175.4 | -52.3 | -33 | 0 | 0 | 0 | 114.7 | G83 D161 E162 | G83-N85 PolarHBondContact O-N 2.72Å; N85-D161 VanDerWaalsContact O-CB 3.26Å; N85-D161 WeakPolarHBondContact O-CB 3.35Å; N85-E162 WeakPolarHBondContact O-CG 3.35Å |
| 86 | V | 93.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116 | 174 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | G83 N84 R88 D161 | G83-V86 PolarHBondContact N-O 2.86Å; G83-V86 VanDerWaalsContact N-O 3.17Å; G83-V86 PolarHBondContact O-N 3.2Å; N84-V86 PolarHBondContact O-N 3.5Å; V86-R88 HydrophobicContact CG1-CG 3.82Å; V86-R88 PolarHBondContact O-N 3.15Å; V86-D161 HydrophobicContact CB-CB 4.47Å; V86-D161 HydrophobicContact CG1-CB 4.41Å; V86-D161 HydrophobicContact CG2-CB 4.27Å |
| 87 | D | 96.2 | Very high | 93.1 | Very high | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 99.1 | 171 | -156.8 | -14.1 | 0 | 0 | 0 | 109.8 | Y82 R89 H126 D161 | Y82-D87 HydrophobicContact CD2-CB 3.69Å; Y82-D87 HydrophobicContact CE2-CB 4.39Å; D87-R89 VanDerWaalsContact C-N 3.29Å; D87-R89 VanDerWaalsContact OD1-CB 3.29Å; D87-R89 WeakPolarHBondContact OD1-CB 3.45Å; D87-R89 WeakPolarHBondContact OD1-CG 3.19Å; D87-R89 IonicContact OD1-CZ 4Å; D87-R89 PolarHBondContact OD1-N 2.76Å; D87-R89 VanDerWaalsContact OD1-N 3.16Å; D87-R89 IonicContact OD1-NE 3.36Å; D87-R89 PolarHBondContact OD1-NE 3.24Å; D87-R89 IonicContact OD1-NH2 3.1Å; D87-R89 PolarHBondContact OD1-NH2 3.13Å; D87-R89 IonicContact OD2-CZ 3.79Å; D87-R89 IonicContact OD2-NE 3.86Å; D87-R89 IonicContact OD2-NH2 2.81Å; D87-R89 PolarHBondContact OD2-NH2 2.98Å; D87-H126 PolarHBondContact O-CD2 2.85Å; D87-H126 PolarHBondContact O-NE2 3.36Å; D87-H126 VanDerWaalsContact O-NE2 3.16Å; D87-D161 VanDerWaalsContact CB-O 3.23Å; D87-D161 WeakPolarHBondContact CB-O 3.36Å; D87-D161 PolarHBondContact N-O 3.13Å |
| 88 | R | 96.2 | Very high | 93.6 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 11% | 0.109 | 34% | 0.338 | C | S | . | . | trans | -90.7 | 10 | 175.5 | -60.2 | -176.2 | 174.7 | -84.4 | -1.9 | 112 | D69 N78 N80 Y81 V86 Y96 Y122 | D69-R88 VanDerWaalsContact CG-NH2 3.31Å; D69-R88 IonicContact OD1-CZ 3.58Å; D69-R88 IonicContact OD1-NH1 2.63Å; D69-R88 IonicContact OD1-NH2 2.74Å; D69-R88 PolarHBondContact OD1-NH2 3.43Å; D69-R88 IonicContact OD2-CZ 3.54Å; D69-R88 IonicContact OD2-NH1 2.74Å; D69-R88 PolarHBondContact OD2-NH1 3.5Å; D69-R88 IonicContact OD2-NH2 3.27Å; D69-R88 PolarHBondContact OD2-NH2 2.94Å; D69-R88 VanDerWaalsContact OD2-NH2 3.1Å; N78-R88 WeakPolarHBondContact O-CD 3.27Å; N80-R88 PolarHBondContact N-O 3.4Å; Y81-R88 WeakPolarHBondContact O-CB 3.46Å; Y81-R88 PolarHBondContact O-N 2.81Å; V86-R88 HydrophobicContact CG1-CG 3.82Å; V86-R88 PolarHBondContact O-N 3.15Å; R88-Y96 WeakPolarHBondContact O-CE1 3.43Å; R88-Y96 VanDerWaalsContact O-CZ 3.26Å; R88-Y96 PolarHBondContact O-OH 3.09Å; R88-Y122 PolarHBondContact NH1-O 3Å | ||
| 89 | R | 96.9 | Very high | 93.6 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -83.9 | 140.3 | 179.2 | -62.2 | 171.7 | -60.5 | -172.6 | -1.5 | 110.1 | N80 D87 H126 | N80-R89 WeakPolarHBondContact O-CG 3.32Å; D87-R89 VanDerWaalsContact C-N 3.29Å; D87-R89 VanDerWaalsContact OD1-CB 3.29Å; D87-R89 WeakPolarHBondContact OD1-CB 3.45Å; D87-R89 WeakPolarHBondContact OD1-CG 3.19Å; D87-R89 IonicContact OD1-CZ 4Å; D87-R89 PolarHBondContact OD1-N 2.76Å; D87-R89 VanDerWaalsContact OD1-N 3.16Å; D87-R89 IonicContact OD1-NE 3.36Å; D87-R89 PolarHBondContact OD1-NE 3.24Å; D87-R89 IonicContact OD1-NH2 3.1Å; D87-R89 PolarHBondContact OD1-NH2 3.13Å; D87-R89 IonicContact OD2-CZ 3.79Å; D87-R89 IonicContact OD2-NE 3.86Å; D87-R89 IonicContact OD2-NH2 2.81Å; D87-R89 PolarHBondContact OD2-NH2 2.98Å; R89-H126 PolarHBondContact O-CE1 3.01Å; R89-H126 PolarHBondContact O-NE2 3.3Å; R89-H126 VanDerWaalsContact O-NE2 3.14Å |
| 90 | S | 95.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | trans | -71.3 | 135.5 | 170.5 | 128.3 | 0 | 0 | 0 | 0 | 109.6 | T92 F93 G94 E220 | S90-T92 PolarHBondContact OG-N 3.09Å; S90-F93 WeakPolarHBondContact OG-CA 3.29Å; S90-F93 WeakPolarHBondContact OG-CB 3.31Å; S90-F93 PolarHBondContact OG-N 3.11Å; S90-G94 WeakPolarHBondContact CB-O 3.35Å; S90-G94 PolarHBondContact OG-N 3.35Å; S90-G94 PolarHBondContact OG-O 3.48Å; S90-E220 WeakPolarHBondContact CA-OE1 3.5Å; S90-E220 WeakPolarHBondContact CB-OE1 3.47Å; S90-E220 PolarHBondContact OG-OE1 3.02Å | ||
| 91 | A | 88.2 | Confident | 93 | Very high | 13 Ų | 13 | 74.5 Ų | 74.5 | 11% | 0.107 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -79.6 | -12.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R205 E220 W222 | A91-R205 HydrophobicContact CB-CG 3.65Å; A91-R205 PolarHBondContact O-NE 2.79Å; A91-R205 PolarHBondContact O-NH2 2.85Å; A91-E220 VanDerWaalsContact CA-OE2 3.27Å; A91-E220 WeakPolarHBondContact CA-OE2 3.49Å; A91-E220 VanDerWaalsContact CB-OE2 3.22Å; A91-E220 WeakPolarHBondContact CB-OE2 3.47Å; A91-E220 PolarHBondContact N-OE2 2.84Å; A91-W222 HydrophobicContact CB-CZ2 3.74Å |
| 92 | T | 84.9 | Confident | 92.8 | Very high | 58 Ų | 58 | 69.3 Ų | 69.3 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -116.7 | -48.7 | -167.7 | -45.1 | 0 | 0 | 0 | 0 | 113.1 | S90 G206 Y207 E220 | S90-T92 PolarHBondContact OG-N 3.09Å; T92-G206 WeakPolarHBondContact OG1-CA 3.2Å; T92-Y207 PolarHBondContact OG1-N 2.93Å; T92-E220 WeakPolarHBondContact CB-OE2 3.34Å; T92-E220 PolarHBondContact N-OE2 2.82Å; T92-E220 PolarHBondContact OG1-OE2 2.88Å |
| 93 | F | 89 | Confident | 92.8 | Very high | 71 Ų | 71 | 66.9 Ų | 66.9 | 31% | 0.311 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -103.6 | 5 | -167.2 | -52.9 | -76.6 | 0 | 0 | 0 | 114.2 | S90 T95 P107 R108 Y207 | S90-F93 WeakPolarHBondContact OG-CA 3.29Å; S90-F93 WeakPolarHBondContact OG-CB 3.31Å; S90-F93 PolarHBondContact OG-N 3.11Å; F93-T95 PolarHBondContact O-N 3.31Å; F93-P107 HydrophobicContact CB-CB 4.12Å; F93-P107 HydrophobicContact CB-CG 4.24Å; F93-P107 HydrophobicContact CD1-CB 3.8Å; F93-P107 HydrophobicContact CD2-CB 3.47Å; F93-P107 VanDerWaalsContact CD2-CB 3.47Å; F93-P107 HydrophobicContact CD2-CG 3.5Å; F93-P107 VanDerWaalsContact CD2-CG 3.5Å; F93-P107 HydrophobicContact CE1-CB 4.03Å; F93-P107 HydrophobicContact CE2-CB 3.69Å; F93-P107 HydrophobicContact CE2-CG 3.94Å; F93-P107 HydrophobicContact CG-CB 3.51Å; F93-P107 HydrophobicContact CG-CG 3.89Å; F93-P107 HydrophobicContact CZ-CB 3.96Å; F93-R108 HydrophobicContact CZ-CG 4.07Å; F93-Y207 AromaticContact CE2-CD2 3.78Å; F93-Y207 HydrophobicContact CE2-CD2 3.78Å; F93-Y207 HydrophobicContact CE2-CG 4.13Å; F93-Y207 HydrophobicContact CZ-CD2 4.12Å; F93-Y207 HydrophobicContact CZ-CG 4.14Å |
| 94 | G | 92 | Very high | 92.9 | Very high | 48 Ų | 48 | 65.9 Ų | 65.9 | 50% | 0.495 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 61.5 | -126 | -168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S90 Y96 | S90-G94 WeakPolarHBondContact CB-O 3.35Å; S90-G94 PolarHBondContact OG-N 3.35Å; S90-G94 PolarHBondContact OG-O 3.48Å; G94-Y96 PolarHBondContact O-N 2.96Å |
| 95 | T | 96 | Very high | 93.3 | Very high | 118 Ų | 118 | 59.6 Ų | 59.6 | 72% | 0.724 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -78.1 | 116.2 | 179.3 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | N80 F93 | N80-T95 HydrophobicContact CB-CG2 4.17Å; N80-T95 VanDerWaalsContact OD1-CA 3.3Å; N80-T95 WeakPolarHBondContact OD1-CA 3.47Å; F93-T95 PolarHBondContact O-N 3.31Å |
| 96 | Y | 96.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 154.8 | 169.7 | 54.8 | -97.8 | 0 | 0 | 0 | 111.3 | Y79 N80 R88 G94 V98 P104 P124 W218 | Y79-Y96 HydrophobicContact CD1-CE2 4.09Å; Y79-Y96 WeakPolarHBondContact CD1-OH 3.28Å; Y79-Y96 HydrophobicContact CG-CE2 4.17Å; N80-Y96 PolarHBondContact N-OH 3.26Å; N80-Y96 VanDerWaalsContact N-OH 3.09Å; N80-Y96 PolarHBondContact ND2-O 2.92Å; N80-Y96 WeakPolarHBondContact OD1-CD1 3.41Å; N80-Y96 WeakPolarHBondContact OD1-CE1 3.37Å; N80-Y96 PolarHBondContact OD1-N 3.18Å; R88-Y96 WeakPolarHBondContact O-CE1 3.43Å; R88-Y96 VanDerWaalsContact O-CZ 3.26Å; R88-Y96 PolarHBondContact O-OH 3.09Å; G94-Y96 PolarHBondContact O-N 2.96Å; Y96-V98 HydrophobicContact CD2-CG2 4.2Å; Y96-V98 HydrophobicContact CE2-CG2 4.04Å; Y96-P104 HydrophobicContact CD2-CB 3.8Å; Y96-P104 HydrophobicContact CE2-CB 3.6Å; Y96-P124 VanDerWaalsContact CE1-CD 3.49Å; Y96-P124 HydrophobicContact CE1-CG 3.98Å; Y96-W218 AromaticContact CD1-CH2 3.97Å; Y96-W218 HydrophobicContact CD1-CH2 3.97Å; Y96-W218 AromaticContact CD1-CZ2 3.7Å; Y96-W218 HydrophobicContact CD1-CZ2 3.7Å; Y96-W218 AromaticContact CD2-CH2 3.87Å; Y96-W218 HydrophobicContact CD2-CH2 3.87Å; Y96-W218 HydrophobicContact CD2-CZ2 4.43Å; Y96-W218 HydrophobicContact CE1-CH2 4.45Å; Y96-W218 HydrophobicContact CE1-CZ2 4.22Å; Y96-W218 HydrophobicContact CE2-CH2 4.37Å; Y96-W218 AromaticContact CG-CH2 3.66Å; Y96-W218 HydrophobicContact CG-CH2 3.66Å; Y96-W218 AromaticContact CG-CZ2 3.82Å; Y96-W218 HydrophobicContact CG-CZ2 3.82Å |
| 97 | K | 96.8 | Very high | 93.5 | Very high | 140 Ų | 140 | 55.9 Ų | 55.9 | 61% | 0.609 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 145.2 | 178.7 | -64.6 | -173.8 | 178.2 | -173 | 0 | 110.9 | P104 L105 | K97-P104 WeakPolarHBondContact O-CA 3.23Å; K97-L105 HydrophobicContact CB-CB 4.35Å; K97-L105 HydrophobicContact CB-CD1 4.18Å; K97-L105 PolarHBondContact O-N 3.03Å |
| 98 | V | 95.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 58 Ų | 58 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -123.7 | 133 | 169.9 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | Y79 Y96 D103 P104 | Y79-V98 HydrophobicContact CD2-CB 4.3Å; Y79-V98 HydrophobicContact CD2-CG1 3.73Å; Y79-V98 HydrophobicContact CD2-CG2 3.57Å; Y79-V98 HydrophobicContact CE2-CG1 3.81Å; Y79-V98 HydrophobicContact CE2-CG2 4.32Å; Y79-V98 HydrophobicContact CG-CG2 3.78Å; Y96-V98 HydrophobicContact CD2-CG2 4.2Å; Y96-V98 HydrophobicContact CE2-CG2 4.04Å; V98-D103 WeakPolarHBondContact CA-O 3.43Å; V98-P104 HydrophobicContact CG2-CB 4.44Å |
| 99 | N | 92 | Very high | 93 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | trans | -82.6 | 174.2 | 179.9 | 72.2 | 12.9 | 0 | 0 | 0 | 111.7 | K101 C102 D103 L105 | N99-K101 PolarHBondContact O-N 3.34Å; N99-K101 VanDerWaalsContact O-N 3.08Å; N99-K101 WeakPolarHBondContact OD1-CA 3.35Å; N99-K101 WeakPolarHBondContact OD1-CB 3.46Å; N99-K101 PolarHBondContact OD1-N 3.34Å; N99-C102 PolarHBondContact O-N 3.27Å; N99-C102 PolarHBondContact OD1-N 3.31Å; N99-C102 VanDerWaalsContact OD1-N 3.14Å; N99-D103 PolarHBondContact N-O 2.98Å; N99-D103 PolarHBondContact ND2-OD2 3.22Å; N99-D103 PolarHBondContact OD1-N 2.84Å; N99-D103 PolarHBondContact OD1-O 3.22Å; N99-L105 HydrophobicContact CB-CD1 4.47Å; N99-L105 HydrophobicContact CB-CD2 4.33Å; N99-L105 HydrophobicContact CB-CG 4.49Å | ||
| 100 | D | 89.7 | Confident | 92.8 | Very high | 176 Ų | 176 | 53.3 Ų | 53.3 | 94% | 0.941 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.7 | -179.9 | -55.4 | -26.5 | 0 | 0 | 0 | 113.8 | C102 | D100-C102 VanDerWaalsContact C-N 3.31Š|
| 101 | K | 89.3 | Confident | 92.6 | Very high | 165 Ų | 165 | 53 Ų | 53 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.6 | 173.6 | -59.7 | 179.9 | -178.2 | 175 | 0 | 112.5 | N99 D103 | N99-K101 PolarHBondContact O-N 3.34Å; N99-K101 VanDerWaalsContact O-N 3.08Å; N99-K101 WeakPolarHBondContact OD1-CA 3.35Å; N99-K101 WeakPolarHBondContact OD1-CB 3.46Å; N99-K101 PolarHBondContact OD1-N 3.34Å; K101-D103 VanDerWaalsContact C-N 3.25Å; K101-D103 PolarHBondContact O-N 3.28Å |
| 102 | C | 92.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 62.8 | 27.2 | -176.4 | -68.3 | 0 | 0 | 0 | 0 | 115.3 | C76 Y79 N99 D100 | C76-C102 HydrophobicContact CB-CB 3.53Å; C76-C102 WeakPolarHBondContact CB-SG 3.45Å; C76-C102 WeakPolarHBondContact SG-CB 3.37Å; C76-C102 CovalentContact SG-SG 2Å; C76-C102 PolarHBondContact SG-SG 3.33Å; Y79-C102 VanDerWaalsContact CE2-O 3.25Å; Y79-C102 WeakPolarHBondContact CE2-O 3.35Å; Y79-C102 PolarHBondContact OH-O 3.34Å; N99-C102 PolarHBondContact O-N 3.27Å; N99-C102 PolarHBondContact OD1-N 3.31Å; N99-C102 VanDerWaalsContact OD1-N 3.14Å; D100-C102 VanDerWaalsContact C-N 3.31Å |
| 103 | D | 93.5 | Very high | 93.3 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -92.8 | 126.7 | 168.6 | -54.7 | -55.9 | 0 | 0 | 0 | 109.8 | V98 N99 K101 N216 | V98-D103 WeakPolarHBondContact CA-O 3.43Å; N99-D103 PolarHBondContact N-O 2.98Å; N99-D103 PolarHBondContact ND2-OD2 3.22Å; N99-D103 PolarHBondContact OD1-N 2.84Å; N99-D103 PolarHBondContact OD1-O 3.22Å; K101-D103 VanDerWaalsContact C-N 3.25Å; K101-D103 PolarHBondContact O-N 3.28Å; D103-N216 HydrophobicContact CB-CB 4.49Å; D103-N216 WeakPolarHBondContact CB-ND2 3.37Å | ||
| 104 | P | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 146.2 | 167.2 | 30.5 | -33.6 | 0 | 0 | 0 | 109 | Y79 Y96 K97 V98 Y122 G123 D215 N216 W218 | Y79-P104 HydrophobicContact CD1-CB 4.44Å; Y79-P104 HydrophobicContact CD1-CG 4.46Å; Y79-P104 HydrophobicContact CE1-CB 4.33Å; Y79-P104 HydrophobicContact CE1-CG 3.91Å; Y79-P104 WeakPolarHBondContact OH-CD 3.46Å; Y96-P104 HydrophobicContact CD2-CB 3.8Å; Y96-P104 HydrophobicContact CE2-CB 3.6Å; K97-P104 WeakPolarHBondContact O-CA 3.23Å; V98-P104 HydrophobicContact CG2-CB 4.44Å; P104-Y122 HydrophobicContact CG-CD1 4.47Å; P104-G123 VanDerWaalsContact CG-N 3.34Å; P104-D215 VanDerWaalsContact O-O 3.13Å; P104-N216 HydrophobicContact CG-CB 4.42Å; P104-N216 VanDerWaalsContact CG-O 3.28Å; P104-N216 WeakPolarHBondContact CG-O 3.26Å; P104-N216 VanDerWaalsContact O-CA 3.26Å; P104-N216 WeakPolarHBondContact O-CA 3.26Å; P104-N216 PolarHBondContact O-ND2 3Å; P104-W218 HydrophobicContact CB-CH2 4.19Å; P104-W218 HydrophobicContact CB-CZ3 4.2Å |
| 105 | L | 96.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | trans | -105.6 | 123.7 | 179.9 | -59.7 | -177.3 | 0 | 0 | 0 | 109.1 | W47 K97 N99 P107 D215 | W47-L105 HydrophobicContact CD2-CB 4.37Å; W47-L105 HydrophobicContact CD2-CD1 4.28Å; W47-L105 HydrophobicContact CD2-CD2 4.41Å; W47-L105 HydrophobicContact CE3-CD2 4.42Å; W47-L105 HydrophobicContact CG-CB 4.43Å; W47-L105 HydrophobicContact CG-CD1 4.31Å; W47-L105 HydrophobicContact CH2-CD2 4.22Å; W47-L105 HydrophobicContact CZ2-CB 4.49Å; W47-L105 HydrophobicContact CZ2-CD2 4.2Å; W47-L105 HydrophobicContact CZ3-CD2 4.33Å; K97-L105 HydrophobicContact CB-CB 4.35Å; K97-L105 HydrophobicContact CB-CD1 4.18Å; K97-L105 PolarHBondContact O-N 3.03Å; N99-L105 HydrophobicContact CB-CD1 4.47Å; N99-L105 HydrophobicContact CB-CD2 4.33Å; N99-L105 HydrophobicContact CB-CG 4.49Å; L105-P107 WeakPolarHBondContact O-CD 3.36Å; L105-P107 VanDerWaalsContact O-N 3.14Å; L105-D215 CarbonylContact C-O 3.54Å; L105-D215 WeakPolarHBondContact CA-O 3.44Å | ||
| 106 | N | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -53 | 119.7 | 178.1 | -175 | -33.9 | 0 | 0 | 0 | 109.8 | W47 R108 G109 Y207 T214 D215 W218 | W47-N106 PolarHBondContact NE1-O 2.86Å; N106-R108 PolarHBondContact O-N 2.83Å; N106-R108 WeakPolarHBondContact OD1-CB 3.42Å; N106-R108 PolarHBondContact OD1-N 3.44Å; N106-G109 PolarHBondContact O-N 2.7Å; N106-Y207 PolarHBondContact ND2-OH 3.48Å; N106-Y207 VanDerWaalsContact OD1-CE2 3.32Å; N106-Y207 WeakPolarHBondContact OD1-CE2 3.01Å; N106-T214 WeakPolarHBondContact CB-O 3.37Å; N106-T214 PolarHBondContact ND2-O 2.92Å; N106-D215 PolarHBondContact N-O 3.34Å; N106-W218 HydrophobicContact CB-CE3 3.94Å; N106-W218 HydrophobicContact CB-CZ3 4.35Å | ||
| 107 | P | 93.2 | Very high | 93.7 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.8 | -175.7 | -27.5 | 36.8 | 0 | 0 | 0 | 113.7 | F93 L105 G109 W218 | F93-P107 HydrophobicContact CB-CB 4.12Å; F93-P107 HydrophobicContact CB-CG 4.24Å; F93-P107 HydrophobicContact CD1-CB 3.8Å; F93-P107 HydrophobicContact CD2-CB 3.47Å; F93-P107 VanDerWaalsContact CD2-CB 3.47Å; F93-P107 HydrophobicContact CD2-CG 3.5Å; F93-P107 VanDerWaalsContact CD2-CG 3.5Å; F93-P107 HydrophobicContact CE1-CB 4.03Å; F93-P107 HydrophobicContact CE2-CB 3.69Å; F93-P107 HydrophobicContact CE2-CG 3.94Å; F93-P107 HydrophobicContact CG-CB 3.51Å; F93-P107 HydrophobicContact CG-CG 3.89Å; F93-P107 HydrophobicContact CZ-CB 3.96Å; L105-P107 WeakPolarHBondContact O-CD 3.36Å; L105-P107 VanDerWaalsContact O-N 3.14Å; P107-G109 VanDerWaalsContact C-N 3.32Å; P107-W218 VanDerWaalsContact CD-CZ2 3.43Å; P107-W218 HydrophobicContact CG-CH2 4.19Å; P107-W218 HydrophobicContact CG-CZ2 3.77Å |
| 108 | R | 89.8 | Confident | 93.6 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 21% | 0.208 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -2.4 | 175.1 | -67.9 | -64.5 | -161.6 | 151.6 | 2.4 | 113.6 | A18 K45 F93 N106 Y207 | A18-R108 PolarHBondContact O-NH1 2.86Å; K45-R108 WeakPolarHBondContact CE-O 3.36Å; F93-R108 HydrophobicContact CZ-CG 4.07Å; N106-R108 PolarHBondContact O-N 2.83Å; N106-R108 WeakPolarHBondContact OD1-CB 3.42Å; N106-R108 PolarHBondContact OD1-N 3.44Å; R108-Y207 HydrophobicContact CB-CE1 4.4Å; R108-Y207 HydrophobicContact CB-CE2 4.23Å; R108-Y207 HydrophobicContact CG-CD1 3.83Å; R108-Y207 HydrophobicContact CG-CD2 3.89Å; R108-Y207 HydrophobicContact CG-CE1 3.8Å; R108-Y207 HydrophobicContact CG-CE2 3.8Å; R108-Y207 HydrophobicContact CG-CG 3.88Å |
| 109 | G | 91.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | trans | 102.5 | -169.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K45 N106 P107 | K45-G109 CarbonylContact O-C 3.54Å; K45-G109 WeakPolarHBondContact O-CA 3.21Å; N106-G109 PolarHBondContact O-N 2.7Å; P107-G109 VanDerWaalsContact C-N 3.32Å | ||
| 110 | R | 93 | Very high | 93.7 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | trans | -59.5 | 141.6 | 177.8 | -63.3 | -179.6 | -178.8 | 93 | 2.6 | 111.2 | V40 S44 K45 S46 W47 L49 Y53 | V40-R110 HydrophobicContact CG1-CB 3.95Å; V40-R110 HydrophobicContact CG2-CB 3.98Å; S44-R110 WeakPolarHBondContact O-CD 3.39Å; S44-R110 PolarHBondContact O-NH1 2.96Å; K45-R110 PolarHBondContact O-N 3.11Å; S46-R110 PolarHBondContact O-NH1 3.17Å; W47-R110 HydrophobicContact CD2-CG 4.25Å; W47-R110 HydrophobicContact CE3-CG 3.9Å; W47-R110 HydrophobicContact CH2-CB 4.48Å; W47-R110 HydrophobicContact CH2-CG 3.67Å; W47-R110 HydrophobicContact CZ2-CG 4.03Å; W47-R110 HydrophobicContact CZ3-CG 3.6Å; L49-R110 PolarHBondContact O-NH2 3.36Å; Y53-R110 VanDerWaalsContact CD1-CD 3.47Å; Y53-R110 HydrophobicContact CD1-CG 3.98Å; Y53-R110 HydrophobicContact CE1-CB 4.02Å; Y53-R110 HydrophobicContact CE1-CG 3.59Å; Y53-R110 HydrophobicContact CE2-CB 4.46Å | ||
| 111 | T | 91.3 | Very high | 94 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | trans | -121.2 | -5.8 | -176.4 | 70.2 | 0 | 0 | 0 | 0 | 113 | Y25 R37 I113 T214 D215 | Y25-T111 WeakPolarHBondContact CD2-O 3.33Å; Y25-T111 VanDerWaalsContact CE2-CB 3.42Å; Y25-T111 HydrophobicContact CE2-CG2 3.63Å; R37-T111 PolarHBondContact NH1-O 3.47Å; T111-I113 PolarHBondContact OG1-O 2.84Å; T111-T214 VanDerWaalsContact CG2-C 3.43Å; T111-T214 VanDerWaalsContact CG2-O 3.28Å; T111-T214 WeakPolarHBondContact CG2-O 2.97Å; T111-T214 WeakPolarHBondContact OG1-CA 3.46Å; T111-D215 WeakPolarHBondContact CA-OD1 3.25Å; T111-D215 WeakPolarHBondContact CB-OD1 3.28Å; T111-D215 PolarHBondContact N-OD1 2.64Å; T111-D215 PolarHBondContact OG1-N 3.24Å; T111-D215 PolarHBondContact OG1-OD1 3.47Å | ||
| 112 | G | 93.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 91.3 | 0.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R37 A38 Y53 P55 P56 | R37-G112 CarbonylContact C-O 3.52Å; R37-G112 WeakPolarHBondContact CA-O 3.5Å; A38-G112 PolarHBondContact N-O 2.95Å; A38-G112 WeakPolarHBondContact O-CA 3.17Å; Y53-G112 WeakPolarHBondContact OH-CA 3.43Å; Y53-G112 PolarHBondContact OH-N 3.28Å; P55-G112 WeakPolarHBondContact CB-O 3.49Å; P56-G112 WeakPolarHBondContact CD-O 3.02Å |
| 113 | I | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -150.4 | 134.8 | -177 | -163.5 | 176 | 0 | 0 | 0 | 110.6 | Y29 I35 R37 P56 Y58 T111 T214 D215 | Y29-I113 HydrophobicContact CD2-CD1 3.62Å; Y29-I113 HydrophobicContact CD2-CG2 4.25Å; Y29-I113 HydrophobicContact CE2-CD1 4.44Å; Y29-I113 HydrophobicContact CG-CD1 3.94Å; I35-I113 HydrophobicContact CG2-CD1 3.56Å; I35-I113 HydrophobicContact CG2-CG1 4.43Å; R37-I113 HydrophobicContact CG-CB 4.33Å; P56-I113 WeakPolarHBondContact O-CG1 3.29Å; Y58-I113 HydrophobicContact CD1-CD1 4.39Å; T111-I113 PolarHBondContact OG1-O 2.84Å; I113-T214 HydrophobicContact CG2-CG2 3.71Å; I113-D215 VanDerWaalsContact O-CB 3.32Å; I113-D215 WeakPolarHBondContact O-CB 3.33Å; I113-D215 PolarHBondContact O-N 3.44Å | ||
| 114 | R | 95.9 | Very high | 94.7 | Very high | 120 Ų | 120 | 20.4 Ų | 20.4 | 45% | 0.453 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 165.4 | 173.6 | 68.2 | 180 | 178 | 125.7 | 3.3 | 111.8 | P55 P56 A57 Y58 N216 | P55-R114 HydrophobicContact CG-CB 3.95Å; P55-R114 HydrophobicContact CG-CG 4.08Å; P55-R114 PolarHBondContact O-NE 2.88Å; P56-R114 WeakPolarHBondContact O-CG 3.45Å; P56-R114 PolarHBondContact O-N 2.74Å; A57-R114 WeakPolarHBondContact CA-O 3.3Å; A57-R114 HydrophobicContact CB-CG 3.83Å; Y58-R114 PolarHBondContact N-O 3.13Å; R114-N216 WeakPolarHBondContact CA-OD1 3.25Å; R114-N216 WeakPolarHBondContact CB-OD1 3.49Å |
| 115 | G | 95.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | -173.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y58 T214 N216 | Y58-G115 CarbonylContact O-C 3.56Å; Y58-G115 WeakPolarHBondContact O-CA 3.49Å; G115-T214 VanDerWaalsContact O-CB 3.3Å; G115-T214 WeakPolarHBondContact O-CB 3.43Å; G115-T214 PolarHBondContact O-OG1 2.93Å; G115-N216 PolarHBondContact N-OD1 3.05Å |
| 116 | R | 95.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -13.5 | -175.8 | 178 | 170.7 | 49.4 | 67.5 | 0.7 | 113 | Y58 S59 K60 C62 D69 G118 L119 L120 Y122 A217 | Y58-R116 PolarHBondContact O-N 2.84Å; S59-R116 PolarHBondContact OG-N 2.76Å; K60-R116 PolarHBondContact O-NH1 3.16Å; K60-R116 PolarHBondContact O-NH2 2.77Å; K60-R116 VanDerWaalsContact O-NH2 3.1Å; C62-R116 PolarHBondContact SG-NH2 3.28Å; D69-R116 PolarHBondContact O-NE 3.36Å; D69-R116 PolarHBondContact O-NH2 2.73Å; R116-G118 PolarHBondContact O-N 2.98Å; R116-L119 WeakPolarHBondContact CD-O 3.31Å; R116-L119 HydrophobicContact CG-CB 4.19Å; R116-L119 WeakPolarHBondContact CG-O 3.39Å; R116-L119 PolarHBondContact NH1-O 3.41Å; R116-L119 PolarHBondContact O-N 2.74Å; R116-L120 VanDerWaalsContact CD-C 3.41Å; R116-L120 VanDerWaalsContact CD-O 3.29Å; R116-L120 WeakPolarHBondContact CD-O 3.41Å; R116-Y122 HydrophobicContact CB-CD2 4.13Å; R116-Y122 HydrophobicContact CB-CE1 4.28Å; R116-Y122 HydrophobicContact CB-CE2 3.85Å; R116-Y122 HydrophobicContact CB-CG 4.49Å; R116-A217 HydrophobicContact CB-CB 4.42Å; R116-A217 HydrophobicContact CG-CB 4.1Å |
| 117 | G | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.7 | -133.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y29 Y58 S59 K60 | Y29-G117 WeakPolarHBondContact OH-CA 3.27Å; Y58-G117 WeakPolarHBondContact O-CA 3.46Å; Y58-G117 PolarHBondContact O-N 2.88Å; S59-G117 WeakPolarHBondContact CA-O 3.22Å; K60-G117 PolarHBondContact N-O 2.83Å |
| 118 | G | 94.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 18.3 Ų | 18.3 | 35% | 0.351 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 2.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y29 R116 | Y29-G118 PolarHBondContact OH-N 2.86Å; R116-G118 PolarHBondContact O-N 2.98Å |
| 119 | L | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | trans | -76.3 | 166.1 | 179.6 | -62.6 | -179.9 | 0 | 0 | 0 | 111.6 | R116 F159 R212 A217 I219 | R116-L119 WeakPolarHBondContact CD-O 3.31Å; R116-L119 HydrophobicContact CG-CB 4.19Å; R116-L119 WeakPolarHBondContact CG-O 3.39Å; R116-L119 PolarHBondContact NH1-O 3.41Å; R116-L119 PolarHBondContact O-N 2.74Å; L119-F159 HydrophobicContact CD2-CZ 4.25Å; L119-R212 HydrophobicContact CD2-CB 3.86Å; L119-R212 HydrophobicContact CG-CB 4.15Å; L119-A217 HydrophobicContact CB-CB 4.13Å; L119-A217 HydrophobicContact CD1-CB 3.71Å; L119-A217 HydrophobicContact CG-CB 4.46Å; L119-I219 HydrophobicContact CD1-CG1 4.16Å; L119-I219 HydrophobicContact CD2-CD1 3.75Å; L119-I219 HydrophobicContact CD2-CG1 3.74Å | ||
| 120 | L | 94.2 | Very high | 93.9 | Very high | 74 Ų | 74 | 15.8 Ų | 15.8 | 39% | 0.387 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -89.2 | -33.3 | -175.3 | -63.2 | 178.4 | 0 | 0 | 0 | 113.2 | C68 D69 R116 N125 | C68-L120 VanDerWaalsContact CA-O 3.3Å; C68-L120 WeakPolarHBondContact CA-O 3.36Å; C68-L120 HydrophobicContact CB-CB 4.2Å; C68-L120 HydrophobicContact CB-CD2 3.95Å; C68-L120 WeakPolarHBondContact CB-O 3.34Å; D69-L120 PolarHBondContact N-O 3.18Å; R116-L120 VanDerWaalsContact CD-C 3.41Å; R116-L120 VanDerWaalsContact CD-O 3.29Å; R116-L120 WeakPolarHBondContact CD-O 3.41Å; L120-N125 PolarHBondContact N-OD1 2.92Å |
| 121 | R | 95.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 15 Ų | 15 | 7% | 0.068 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -117.1 | 147.3 | -176.1 | -53.1 | -57.7 | 179.4 | -167.4 | -4.1 | 111.8 | D66 D69 N125 D161 A217 | D66-R121 PolarHBondContact O-NH2 3.32Å; D69-R121 VanDerWaalsContact OD1-CD 3.3Å; D69-R121 WeakPolarHBondContact OD1-CD 3.38Å; D69-R121 IonicContact OD1-CZ 3.46Å; D69-R121 IonicContact OD1-NH1 2.82Å; D69-R121 PolarHBondContact OD1-NH1 3.3Å; D69-R121 VanDerWaalsContact OD1-NH1 3.1Å; D69-R121 VanDerWaalsContact OD2-CA 3.32Å; D69-R121 WeakPolarHBondContact OD2-CA 3.3Å; R121-N125 PolarHBondContact N-OD1 3.49Å; R121-N125 PolarHBondContact O-ND2 2.94Å; R121-D161 IonicContact CZ-OD1 2.83Å; R121-D161 IonicContact CZ-OD2 2.7Å; R121-D161 IonicContact NE-OD1 2.87Å; R121-D161 PolarHBondContact NE-OD1 2.61Å; R121-D161 IonicContact NE-OD2 3.41Å; R121-D161 PolarHBondContact NE-OD2 3.16Å; R121-D161 IonicContact NH2-OD1 3.25Å; R121-D161 IonicContact NH2-OD2 2.89Å; R121-D161 PolarHBondContact NH2-OD2 3.38Å; R121-A217 WeakPolarHBondContact O-CB 3.47Å |
| 122 | Y | 95.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 14.8 Ų | 14.8 | 4% | 0.035 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -72.7 | 137.3 | 159.5 | -80.3 | -98.1 | 0 | 0 | 0 | 109 | S59 D69 W73 R88 P104 R116 N216 | S59-Y122 PolarHBondContact OG-OH 2.92Å; D69-Y122 HydrophobicContact CB-CD2 3.73Å; D69-Y122 HydrophobicContact CB-CE2 4.33Å; D69-Y122 PolarHBondContact OD2-N 2.95Å; W73-Y122 AromaticContact CZ2-CD2 3.6Å; W73-Y122 HydrophobicContact CZ2-CD2 3.6Å; W73-Y122 HydrophobicContact CZ2-CE2 4.09Å; W73-Y122 HydrophobicContact CZ2-CG 4.36Å; W73-Y122 AromaticContact NE1-CD2 3.86Å; W73-Y122 AromaticContact NE1-CE2 3.78Å; R88-Y122 PolarHBondContact NH1-O 3Å; P104-Y122 HydrophobicContact CG-CD1 4.47Å; R116-Y122 HydrophobicContact CB-CD2 4.13Å; R116-Y122 HydrophobicContact CB-CE1 4.28Å; R116-Y122 HydrophobicContact CB-CE2 3.85Å; R116-Y122 HydrophobicContact CB-CG 4.49Å; Y122-N216 HydrophobicContact CD1-CB 3.84Å; Y122-N216 HydrophobicContact CE1-CB 4.08Å |
| 123 | G | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.8 | -143.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P104 N125 N216 A217 W218 | P104-G123 VanDerWaalsContact CG-N 3.34Å; G123-N125 PolarHBondContact O-ND2 3.4Å; G123-N216 PolarHBondContact N-O 2.84Å; G123-A217 VanDerWaalsContact O-CA 3.31Å; G123-A217 WeakPolarHBondContact O-CA 3.11Å; G123-W218 PolarHBondContact O-N 3.32Å |
| 124 | P | 97.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 136.3 | -178.5 | 29.9 | -34.3 | 0 | 0 | 0 | 111.6 | Y96 W218 E220 | Y96-P124 VanDerWaalsContact CE1-CD 3.49Å; Y96-P124 HydrophobicContact CE1-CG 3.98Å; P124-W218 CarbonylContact C-O 3.58Å; P124-W218 WeakPolarHBondContact CA-O 3.29Å; P124-W218 HydrophobicContact CB-CZ2 4.47Å; P124-E220 HydrophobicContact CB-CG 4.26Å |
| 125 | N | 97.4 | Very high | 92 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.032 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 109.3 | 171 | -73.3 | -105.1 | 0 | 0 | 0 | 107.3 | L120 R121 G123 F159 W218 I219 E220 | L120-N125 PolarHBondContact N-OD1 2.92Å; R121-N125 PolarHBondContact N-OD1 3.49Å; R121-N125 PolarHBondContact O-ND2 2.94Å; G123-N125 PolarHBondContact O-ND2 3.4Å; N125-F159 HydrophobicContact CB-CD1 4.33Å; N125-F159 HydrophobicContact CB-CE1 4.07Å; N125-W218 PolarHBondContact N-O 2.88Å; N125-I219 HydrophobicContact CB-CG1 4.42Å; N125-I219 WeakPolarHBondContact O-CA 2.91Å; N125-E220 PolarHBondContact O-N 2.67Å |
| 126 | H | 95.9 | Very high | 91 | Very high | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.5 | -171.4 | -58.3 | -61.8 | 0 | 0 | 0 | 111.9 | D87 R89 F159 T160 P163 E220 W222 | D87-H126 PolarHBondContact O-CD2 2.85Å; D87-H126 PolarHBondContact O-NE2 3.36Å; D87-H126 VanDerWaalsContact O-NE2 3.16Å; R89-H126 PolarHBondContact O-CE1 3.01Å; R89-H126 PolarHBondContact O-NE2 3.3Å; R89-H126 VanDerWaalsContact O-NE2 3.14Å; H126-F159 CarbonylContact O-C 3.58Å; H126-F159 WeakPolarHBondContact O-CA 3.22Å; H126-F159 WeakPolarHBondContact O-CD1 3.27Å; H126-T160 WeakPolarHBondContact CB-O 3.07Å; H126-T160 PolarHBondContact O-N 3.14Å; H126-P163 HydrophobicContact CB-CB 3.81Å; H126-P163 HydrophobicContact CB-CG 3.71Å; H126-E220 WeakPolarHBondContact CA-O 3.37Å; H126-W222 AromaticContact ND1-NE1 3.72Å |
| 127 | R | 91.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.3 | 175.5 | 178 | -176.3 | 174 | -150.5 | 0.5 | 109 | V129 W157 E158 F159 Y208 I219 E220 T221 W222 | R127-V129 HydrophobicContact CG-CG2 4.02Å; R127-W157 HydrophobicContact CG-CB 4.15Å; R127-W157 HydrophobicContact CG-CD2 4.22Å; R127-W157 HydrophobicContact CG-CE3 3.81Å; R127-W157 HydrophobicContact CG-CG 4.37Å; R127-W157 VanDerWaalsContact NE-CD2 3.3Å; R127-E158 CarbonylContact C-O 3.53Å; R127-E158 WeakPolarHBondContact CA-O 3.36Å; R127-F159 HydrophobicContact CB-CD1 4.22Å; R127-F159 HydrophobicContact CB-CE1 4.1Å; R127-Y208 VanDerWaalsContact NH1-CZ 3.29Å; R127-I219 HydrophobicContact CB-CG2 3.98Å; R127-E220 PolarHBondContact N-O 3Å; R127-T221 CarbonylContact O-C 3.56Å; R127-T221 VanDerWaalsContact O-CA 3.3Å; R127-T221 WeakPolarHBondContact O-CA 3.37Å; R127-W222 PolarHBondContact O-N 2.89Å |
| 128 | V | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122 | 171.3 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | V130 W157 E158 T160 P163 L166 P169 W222 Y224 | V128-V130 HydrophobicContact CG1-CG2 4.28Å; V128-W157 CarbonylContact O-C 3.5Å; V128-W157 WeakPolarHBondContact O-CA 3.14Å; V128-W157 WeakPolarHBondContact O-CB 3.09Å; V128-E158 PolarHBondContact N-O 3.43Å; V128-E158 PolarHBondContact O-N 3.09Å; V128-T160 HydrophobicContact CG2-CG2 3.71Å; V128-P163 HydrophobicContact CG2-CB 4.15Å; V128-L166 HydrophobicContact CB-CD2 3.9Å; V128-L166 HydrophobicContact CG1-CD2 4.39Å; V128-L166 HydrophobicContact CG2-CB 4.31Å; V128-L166 HydrophobicContact CG2-CD2 3.95Å; V128-L166 HydrophobicContact CG2-CG 4.43Å; V128-P169 HydrophobicContact CG1-CG 4.45Å; V128-W222 WeakPolarHBondContact CA-O 3.21Å; V128-W222 HydrophobicContact CG2-CB 4.23Å; V128-Y224 HydrophobicContact CG1-CD2 3.85Å; V128-Y224 HydrophobicContact CG1-CE2 4.04Å |
| 129 | V | 86.7 | Confident | 88.5 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.4 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | R127 F155 W157 T221 W222 L223 Y224 | R127-V129 HydrophobicContact CG-CG2 4.02Å; V129-F155 HydrophobicContact CG1-CB 3.64Å; V129-F155 HydrophobicContact CG1-CG 4.48Å; V129-W157 HydrophobicContact CB-CB 4.27Å; V129-W157 HydrophobicContact CG1-CB 4.48Å; V129-W157 HydrophobicContact CG2-CB 3.73Å; V129-T221 HydrophobicContact CB-CG2 4.34Å; V129-T221 HydrophobicContact CG2-CG2 3.62Å; V129-W222 PolarHBondContact N-O 2.7Å; V129-L223 HydrophobicContact CB-CD1 3.53Å; V129-L223 HydrophobicContact CG1-CD1 3.44Å; V129-L223 VanDerWaalsContact CG1-CD1 3.44Å; V129-L223 WeakPolarHBondContact O-CA 3.3Å; V129-Y224 PolarHBondContact O-N 3.43Å |
| 130 | V | 85.4 | Confident | 88 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.9 | 177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | V128 I132 P156 L168 P169 L172 Y224 I226 | V128-V130 HydrophobicContact CG1-CG2 4.28Å; V130-I132 HydrophobicContact CG1-CG1 4.11Å; V130-P156 PolarHBondContact N-O 3.22Å; V130-P156 WeakPolarHBondContact O-CD 3.33Å; V130-P156 WeakPolarHBondContact O-CG 3.24Å; V130-L168 HydrophobicContact CB-CD1 4.42Å; V130-L168 HydrophobicContact CG1-CD1 3.96Å; V130-L168 HydrophobicContact CG2-CD1 4.21Å; V130-P169 HydrophobicContact CG2-CG 4.02Å; V130-L172 HydrophobicContact CB-CD2 3.82Å; V130-L172 HydrophobicContact CG1-CD2 4.01Å; V130-Y224 CarbonylContact C-O 3.49Å; V130-Y224 WeakPolarHBondContact CA-O 3.43Å; V130-I226 HydrophobicContact CG1-CD1 3.81Å; V130-I226 HydrophobicContact CG1-CG1 4.17Å |
| 131 | I | 84.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124 | 174.9 | -58.6 | 166.2 | 0 | 0 | 0 | 108.1 | F155 L223 Y224 E225 I226 L296 | I131-F155 HydrophobicContact CD1-CD1 4.4Å; I131-F155 HydrophobicContact CD1-CD2 4.31Å; I131-F155 HydrophobicContact CD1-CE1 4.36Å; I131-F155 HydrophobicContact CD1-CE2 4.3Å; I131-F155 HydrophobicContact CD1-CG 4.36Å; I131-F155 HydrophobicContact CD1-CZ 4.33Å; I131-F155 HydrophobicContact CG1-CB 4.32Å; I131-F155 HydrophobicContact CG1-CD1 3.73Å; I131-F155 HydrophobicContact CG1-CD2 4.27Å; I131-F155 HydrophobicContact CG1-CE1 4.05Å; I131-F155 HydrophobicContact CG1-CG 3.84Å; I131-F155 HydrophobicContact CG1-CZ 4.48Å; I131-F155 HydrophobicContact CG2-CD1 4.37Å; I131-F155 HydrophobicContact CG2-CE1 4.18Å; I131-L223 HydrophobicContact CD1-CD1 3.55Å; I131-L223 HydrophobicContact CD1-CD2 4.04Å; I131-L223 HydrophobicContact CD1-CG 4.05Å; I131-L223 HydrophobicContact CG1-CD1 3.99Å; I131-Y224 PolarHBondContact N-O 2.81Å; I131-E225 CarbonylContact O-C 3.53Å; I131-E225 WeakPolarHBondContact O-CA 3.31Å; I131-I226 PolarHBondContact O-N 3.17Å; I131-L296 HydrophobicContact CB-CD1 4.26Å; I131-L296 HydrophobicContact CD1-CB 4.14Å; I131-L296 HydrophobicContact CD1-CD1 3.44Å; I131-L296 VanDerWaalsContact CD1-CD1 3.44Å; I131-L296 HydrophobicContact CD1-CD2 3.31Å; I131-L296 HydrophobicContact CD1-CG 3.73Å; I131-L296 HydrophobicContact CG1-CD1 4.42Å; I131-L296 HydrophobicContact CG1-CD2 4.39Å; I131-L296 HydrophobicContact CG2-CD1 3.83Å; I131-L296 HydrophobicContact CG2-CD2 4.46Å |
| 132 | I | 88 | Confident | 87.2 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127 | 176.9 | -58.5 | 163.6 | 0 | 0 | 0 | 106.7 | V130 Y141 V142 L172 I176 I226 L234 M237 W249 | V130-I132 HydrophobicContact CG1-CG1 4.11Å; I132-Y141 CarbonylContact O-C 3.56Å; I132-Y141 WeakPolarHBondContact O-CA 3.43Å; I132-V142 HydrophobicContact CB-CB 4.22Å; I132-V142 HydrophobicContact CB-CG2 3.86Å; I132-V142 HydrophobicContact CG2-CG2 4.15Å; I132-V142 PolarHBondContact O-N 3.25Å; I132-L172 HydrophobicContact CD1-CD1 4.18Å; I132-L172 HydrophobicContact CD1-CD2 4.11Å; I132-L172 HydrophobicContact CD1-CG 4.48Å; I132-I176 HydrophobicContact CD1-CD1 4.12Å; I132-I226 WeakPolarHBondContact CA-O 3.34Å; I132-I226 HydrophobicContact CG1-CB 4.46Å; I132-L234 HydrophobicContact CD1-CD1 3.88Å; I132-L234 HydrophobicContact CG1-CD1 4Å; I132-L234 HydrophobicContact CG2-CB 3.85Å; I132-L234 HydrophobicContact CG2-CD1 3.98Å; I132-M237 HydrophobicContact CD1-CE 4.3Å; I132-M237 HydrophobicContact CG2-CE 4.49Å; I132-W249 HydrophobicContact CG2-CH2 3.96Å |
| 133 | S | 86.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.4 | 179.4 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | E140 I226 D228 | S133-E140 CarbonylContact C-O 3.57Å; S133-E140 VanDerWaalsContact CA-O 3.22Å; S133-E140 WeakPolarHBondContact CA-O 3.46Å; S133-E140 WeakPolarHBondContact CB-O 3.34Å; S133-I226 PolarHBondContact N-O 2.94Å; S133-I226 VanDerWaalsContact N-O 3.09Å; S133-D228 PolarHBondContact O-N 3.42Å |
| 134 | R | 87.2 | Confident | 85.9 | Confident | 47 Ų | 47 | 30.9 Ų | 30.9 | 18% | 0.177 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.2 | 175.5 | 74.2 | -178.9 | -177.7 | -169 | -5.3 | 110.8 | E140 D228 G235 M237 W249 | R134-E140 HydrophobicContact CG-CB 4.14Å; R134-E140 IonicContact CZ-OE2 2.84Å; R134-E140 VanDerWaalsContact CZ-OE2 3.24Å; R134-E140 PolarHBondContact N-O 3.49Å; R134-E140 IonicContact NE-OE2 3.07Å; R134-E140 PolarHBondContact NE-OE2 2.98Å; R134-E140 IonicContact NH2-OE2 2.79Å; R134-E140 PolarHBondContact NH2-OE2 3.36Å; R134-E140 PolarHBondContact O-N 2.83Å; R134-D228 WeakPolarHBondContact CA-O 3.46Å; R134-D228 WeakPolarHBondContact CB-O 3.45Å; R134-G235 PolarHBondContact NH1-O 3.35Å; R134-M237 PolarHBondContact NH1-O 3.14Å; R134-W249 HydrophobicContact CB-CH2 4.09Å; R134-W249 HydrophobicContact CB-CZ3 4.13Å; R134-W249 HydrophobicContact CG-CE3 4.04Å; R134-W249 HydrophobicContact CG-CH2 3.83Å; R134-W249 HydrophobicContact CG-CZ2 4.44Å; R134-W249 HydrophobicContact CG-CZ3 3.61Å |
| 135 | N | 82.6 | Confident | 85.2 | Confident | 77 Ų | 77 | 33.1 Ų | 33.1 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.3 | 167.4 | -56.5 | -27.3 | 0 | 0 | 0 | 108.9 | M139 P229 S231 | N135-M139 WeakPolarHBondContact OD1-CE 3.44Å; N135-P229 VanDerWaalsContact CB-O 3.28Å; N135-P229 WeakPolarHBondContact CB-O 3.34Å; N135-P229 PolarHBondContact N-O 2.82Å; N135-P229 VanDerWaalsContact ND2-CB 3.35Å; N135-P229 WeakPolarHBondContact ND2-CB 3.35Å; N135-S231 PolarHBondContact O-OG 3.2Å |
| 136 | G | 73 | Confident | 84 | Confident | 44 Ų | 44 | 35.5 Ų | 35.5 | 45% | 0.454 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -104.7 | -140.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q138 | G136-Q138 CarbonylContact C-O 3.54Å; G136-Q138 WeakPolarHBondContact CA-O 3.26Å; G136-Q138 PolarHBondContact N-O 3.36Å; G136-Q138 PolarHBondContact O-N 3.24Å |
| 137 | Q | 76.9 | Confident | 82.7 | Confident | 199 Ų | 199 | 44.9 Ų | 44.9 | 93% | 0.93 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -58.1 | -32.3 | 165.4 | -69.9 | -178.5 | -14.3 | 0 | 0 | 111.7 | ||
| 138 | Q | 78.4 | Confident | 81.6 | Confident | 89 Ų | 89 | 47.5 Ų | 47.5 | 42% | 0.416 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -138.2 | 170.3 | 165.8 | 63.7 | -169.9 | -1.5 | 0 | 0 | 108.7 | G136 E140 K251 | G136-Q138 CarbonylContact C-O 3.54Å; G136-Q138 WeakPolarHBondContact CA-O 3.26Å; G136-Q138 PolarHBondContact N-O 3.36Å; G136-Q138 PolarHBondContact O-N 3.24Å; Q138-E140 PolarHBondContact O-N 2.87Å; Q138-K251 HydrophobicContact CG-CB 4.4Å; Q138-K251 HydrophobicContact CG-CG 4.08Å |
| 139 | M | 78.9 | Confident | 80.3 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 135.5 | 178.9 | -171.5 | 169.3 | -85.5 | 0 | 0 | 110.8 | N135 V252 P292 | N135-M139 WeakPolarHBondContact OD1-CE 3.44Å; M139-V252 HydrophobicContact CB-CB 4.29Å; M139-V252 HydrophobicContact CB-CG2 4.01Å; M139-V252 HydrophobicContact CG-CG2 3.83Å; M139-V252 PolarHBondContact O-N 3.07Å; M139-V252 HydrophobicContact SD-CG2 4.37Å; M139-P292 HydrophobicContact CE-CG 4.04Å; M139-P292 HydrophobicContact CG-CG 4.32Å; M139-P292 HydrophobicContact SD-CB 4.14Å; M139-P292 WeakPolarHBondContact SD-CD 3.41Å; M139-P292 HydrophobicContact SD-CG 3.37Å; M139-P292 WeakPolarHBondContact SD-CG 3.29Å |
| 140 | E | 84.7 | Confident | 79 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.3 | -179.8 | -65.6 | 178.2 | 157.4 | 0 | 0 | 110.6 | S133 R134 Q138 W249 K250 K251 | S133-E140 CarbonylContact C-O 3.57Å; S133-E140 VanDerWaalsContact CA-O 3.22Å; S133-E140 WeakPolarHBondContact CA-O 3.46Å; S133-E140 WeakPolarHBondContact CB-O 3.34Å; R134-E140 HydrophobicContact CG-CB 4.14Å; R134-E140 IonicContact CZ-OE2 2.84Å; R134-E140 VanDerWaalsContact CZ-OE2 3.24Å; R134-E140 PolarHBondContact N-O 3.49Å; R134-E140 IonicContact NE-OE2 3.07Å; R134-E140 PolarHBondContact NE-OE2 2.98Å; R134-E140 IonicContact NH2-OE2 2.79Å; R134-E140 PolarHBondContact NH2-OE2 3.36Å; R134-E140 PolarHBondContact O-N 2.83Å; Q138-E140 PolarHBondContact O-N 2.87Å; E140-W249 HydrophobicContact CB-CE3 3.9Å; E140-K250 CarbonylContact C-O 3.46Å; E140-K250 WeakPolarHBondContact CA-O 3.3Å; E140-K251 HydrophobicContact CG-CG 4.15Å |
| 141 | Y | 85.7 | Confident | 77.8 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 157.6 | 177 | 67.5 | -85.9 | 0 | 0 | 0 | 111.9 | I132 D153 F155 K250 V252 | I132-Y141 CarbonylContact O-C 3.56Å; I132-Y141 WeakPolarHBondContact O-CA 3.43Å; Y141-D153 HydrophobicContact CE2-CB 4.23Å; Y141-D153 PolarHBondContact OH-OD2 2.85Å; Y141-F155 HydrophobicContact CD2-CD1 4.35Å; Y141-F155 AromaticContact CD2-CE1 3.54Å; Y141-F155 HydrophobicContact CD2-CE1 3.54Å; Y141-F155 HydrophobicContact CD2-CZ 4.4Å; Y141-F155 AromaticContact CE2-CE1 3.69Å; Y141-F155 HydrophobicContact CE2-CE1 3.69Å; Y141-F155 HydrophobicContact CE2-CZ 4.22Å; Y141-K250 HydrophobicContact CD1-CB 4.26Å; Y141-K250 VanDerWaalsContact CD1-O 3.28Å; Y141-K250 WeakPolarHBondContact CD1-O 3.47Å; Y141-K250 HydrophobicContact CD2-CB 4.37Å; Y141-K250 HydrophobicContact CE1-CB 3.83Å; Y141-K250 HydrophobicContact CE2-CB 3.98Å; Y141-K250 HydrophobicContact CE2-CD 4.39Å; Y141-K250 PolarHBondContact N-O 2.8Å; Y141-K250 PolarHBondContact O-N 3.49Å; Y141-V252 HydrophobicContact CD1-CG2 3.68Å; Y141-V252 HydrophobicContact CE1-CG2 4.13Å |
| 142 | V | 87.3 | Confident | 76.7 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.8 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 110 | I132 M237 L239 L247 W249 | I132-V142 HydrophobicContact CB-CB 4.22Å; I132-V142 HydrophobicContact CB-CG2 3.86Å; I132-V142 HydrophobicContact CG2-CG2 4.15Å; I132-V142 PolarHBondContact O-N 3.25Å; V142-M237 HydrophobicContact CG2-CE 4.02Å; V142-L239 HydrophobicContact CB-CD1 4.48Å; V142-L239 HydrophobicContact CG1-CD1 3.93Å; V142-L239 HydrophobicContact CG2-CD1 3.83Å; V142-L247 HydrophobicContact CG1-CB 3.94Å; V142-L247 HydrophobicContact CG1-CD1 4Å; V142-L247 HydrophobicContact CG1-CD2 4.06Å; V142-L247 HydrophobicContact CG1-CG 4.21Å; V142-W249 HydrophobicContact CG2-CD2 4.15Å; V142-W249 HydrophobicContact CG2-CE3 3.91Å; V142-W249 HydrophobicContact CG2-CH2 3.76Å; V142-W249 HydrophobicContact CG2-CZ2 3.98Å; V142-W249 HydrophobicContact CG2-CZ3 3.72Å |
| 143 | G | 83 | Confident | 75.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T248 | G143-T248 PolarHBondContact N-O 3.28Å; G143-T248 VanDerWaalsContact N-O 3.11Å; G143-T248 PolarHBondContact O-N 3.36Å |
| 144 | K | 82.3 | Confident | 75 | Confident | 52 Ų | 52 | 68 Ų | 68 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 135.9 | 174.1 | -62.8 | -165.3 | -167.1 | 164.7 | 0 | 110.2 | T146 E154 L245 N246 L247 K250 | K144-T146 PolarHBondContact O-N 2.87Å; K144-E154 HydrophobicContact CB-CB 4.26Å; K144-E154 HydrophobicContact CD-CB 4.17Å; K144-E154 HydrophobicContact CD-CG 4.39Å; K144-E154 WeakPolarHBondContact CD-OE2 3.32Å; K144-E154 WeakPolarHBondContact CE-OE2 3.06Å; K144-E154 HydrophobicContact CG-CB 4.25Å; K144-E154 PolarHBondContact N-O 2.89Å; K144-E154 IonicContact NZ-OE1 3.24Å; K144-E154 PolarHBondContact NZ-OE1 2.81Å; K144-E154 IonicContact NZ-OE2 2.76Å; K144-E154 PolarHBondContact NZ-OE2 3.1Å; K144-L245 WeakPolarHBondContact CG-O 3.47Å; K144-N246 CarbonylContact C-O 3.57Å; K144-N246 WeakPolarHBondContact CA-O 3.33Å; K144-L247 HydrophobicContact CG-CD2 3.78Å; K144-K250 WeakPolarHBondContact O-CE 3.11Å; K144-K250 PolarHBondContact O-NZ 3.43Å |
| 145 | S | 82.1 | Confident | 74.8 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | trans | -63.9 | 129.3 | 169.6 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | N246 T248 | S145-N246 PolarHBondContact N-O 3.06Å; S145-N246 PolarHBondContact O-ND2 3.01Å; S145-N246 PolarHBondContact OG-O 2.89Å; S145-T248 VanDerWaalsContact OG-CG2 3.26Å; S145-T248 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 146 | T | 71.4 | Confident | 74.8 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | trans | -125.9 | 136 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 107.4 | K144 D148 D153 | K144-T146 PolarHBondContact O-N 2.87Å; T146-D148 VanDerWaalsContact C-N 3.28Å; T146-D148 WeakPolarHBondContact CG2-O 3.34Å; T146-D148 PolarHBondContact OG1-N 3Å; T146-D148 VanDerWaalsContact OG1-N 3.14Å; T146-D148 PolarHBondContact OG1-O 2.63Å; T146-D153 WeakPolarHBondContact CG2-OD1 3.09Å | ||
| 147 | E | 70.5 | Confident | 75.6 | Confident | 202 Ų | 202 | 64 Ų | 64 | 94% | 0.944 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -71.7 | -30.8 | 171.1 | -65.7 | -177.1 | 177.6 | 0 | 0 | 110.7 | Q149 | E147-Q149 PolarHBondContact O-N 3.36Š|
| 148 | D | 67.3 | Low | 76.4 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | trans | -83.1 | 102.2 | 177.9 | -168.4 | -13.4 | 0 | 0 | 0 | 110.6 | T146 Q150 I151 | T146-D148 VanDerWaalsContact C-N 3.28Å; T146-D148 WeakPolarHBondContact CG2-O 3.34Å; T146-D148 PolarHBondContact OG1-N 3Å; T146-D148 VanDerWaalsContact OG1-N 3.14Å; T146-D148 PolarHBondContact OG1-O 2.63Å; D148-Q150 PolarHBondContact O-N 2.72Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.28Å; D148-Q150 VanDerWaalsContact OD1-CB 3.24Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.24Å; D148-Q150 PolarHBondContact OD1-N 2.77Å; D148-I151 HydrophobicContact CB-CB 4.49Å; D148-I151 HydrophobicContact CB-CD1 3.81Å; D148-I151 HydrophobicContact CB-CG1 4.07Å; D148-I151 PolarHBondContact O-N 3.44Å; D148-I151 WeakPolarHBondContact OD2-CD1 3.41Å; D148-I151 WeakPolarHBondContact OD2-CG1 3.36Å | ||
| 149 | Q | 64.4 | Low | 77.2 | Confident | 165 Ų | 165 | 54.2 Ų | 54.2 | 77% | 0.771 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.6 | 176.8 | -64.5 | -171.4 | -15.1 | 0 | 0 | 113.5 | E147 I151 K260 | E147-Q149 PolarHBondContact O-N 3.36Å; Q149-I151 VanDerWaalsContact C-N 3.31Å; Q149-K260 WeakPolarHBondContact O-CE 3.3Å; Q149-K260 PolarHBondContact O-NZ 2.83Å |
| 150 | Q | 57.8 | Low | 78 | Confident | 138 Ų | 138 | 53.7 Ų | 53.7 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -18.9 | 177.6 | -55.3 | -169.4 | 8.8 | 0 | 0 | 112.2 | D148 | D148-Q150 PolarHBondContact O-N 2.72Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.28Å; D148-Q150 VanDerWaalsContact OD1-CB 3.24Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.24Å; D148-Q150 PolarHBondContact OD1-N 2.77Å |
| 151 | I | 60.5 | Low | 78.5 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.205 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -87.8 | 146.7 | -177.7 | -61.5 | 177.6 | 0 | 0 | 0 | 110.1 | D148 Q149 K260 A310 T311 | D148-I151 HydrophobicContact CB-CB 4.49Å; D148-I151 HydrophobicContact CB-CD1 3.81Å; D148-I151 HydrophobicContact CB-CG1 4.07Å; D148-I151 PolarHBondContact O-N 3.44Å; D148-I151 WeakPolarHBondContact OD2-CD1 3.41Å; D148-I151 WeakPolarHBondContact OD2-CG1 3.36Å; Q149-I151 VanDerWaalsContact C-N 3.31Å; I151-K260 PolarHBondContact O-NZ 2.98Å; I151-A310 HydrophobicContact CG2-CB 3.35Å; I151-T311 WeakPolarHBondContact CD1-OG1 3.22Å |
| 152 | L | 62.6 | Low | 79 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 140 | 171.3 | -72.6 | -178.6 | 0 | 0 | 0 | 110.2 | E154 F257 K260 L264 I299 | L152-E154 PolarHBondContact O-N 2.77Å; L152-F257 HydrophobicContact CD1-CE2 4.39Å; L152-F257 HydrophobicContact CD2-CD2 3.77Å; L152-F257 HydrophobicContact CD2-CE2 3.46Å; L152-F257 VanDerWaalsContact CD2-CE2 3.46Å; L152-K260 HydrophobicContact CD2-CB 3.84Å; L152-K260 HydrophobicContact CD2-CD 3.84Å; L152-L264 HydrophobicContact CD1-CD1 3.76Å; L152-L264 HydrophobicContact CG-CD1 4.03Å; L152-I299 HydrophobicContact CD1-CG2 4.43Å |
| 153 | D | 66.6 | Low | 79.3 | Confident | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 132.1 | -178.8 | -64.3 | -37 | 0 | 0 | 0 | 111 | Y141 T146 K250 | Y141-D153 HydrophobicContact CE2-CB 4.23Å; Y141-D153 PolarHBondContact OH-OD2 2.85Å; T146-D153 WeakPolarHBondContact CG2-OD1 3.09Å; D153-K250 HydrophobicContact CB-CD 4.07Å; D153-K250 VanDerWaalsContact CG-CD 3.44Å; D153-K250 IonicContact OD1-NZ 3.67Å; D153-K250 PolarHBondContact OD1-NZ 3.44Å; D153-K250 WeakPolarHBondContact OD2-CD 3.44Å; D153-K250 IonicContact OD2-NZ 3.66Å; D153-K250 PolarHBondContact OD2-NZ 2.96Å |
| 154 | E | 73.1 | Confident | 79.7 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 128 | 179.7 | -162.6 | -171.5 | 163.7 | 0 | 0 | 109.9 | K144 L152 W157 | K144-E154 HydrophobicContact CB-CB 4.26Å; K144-E154 HydrophobicContact CD-CB 4.17Å; K144-E154 HydrophobicContact CD-CG 4.39Å; K144-E154 WeakPolarHBondContact CD-OE2 3.32Å; K144-E154 WeakPolarHBondContact CE-OE2 3.06Å; K144-E154 HydrophobicContact CG-CB 4.25Å; K144-E154 PolarHBondContact N-O 2.89Å; K144-E154 IonicContact NZ-OE1 3.24Å; K144-E154 PolarHBondContact NZ-OE1 2.81Å; K144-E154 IonicContact NZ-OE2 2.76Å; K144-E154 PolarHBondContact NZ-OE2 3.1Å; L152-E154 PolarHBondContact O-N 2.77Å; E154-W157 PolarHBondContact OE1-NE1 3.11Å |
| 155 | F | 81.5 | Confident | 80.2 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 10% | 0.101 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 152.5 | 173.3 | -59.2 | -71.3 | 0 | 0 | 0 | 110.8 | V129 I131 Y141 W157 L296 I299 | V129-F155 HydrophobicContact CG1-CB 3.64Å; V129-F155 HydrophobicContact CG1-CG 4.48Å; I131-F155 HydrophobicContact CD1-CD1 4.4Å; I131-F155 HydrophobicContact CD1-CD2 4.31Å; I131-F155 HydrophobicContact CD1-CE1 4.36Å; I131-F155 HydrophobicContact CD1-CE2 4.3Å; I131-F155 HydrophobicContact CD1-CG 4.36Å; I131-F155 HydrophobicContact CD1-CZ 4.33Å; I131-F155 HydrophobicContact CG1-CB 4.32Å; I131-F155 HydrophobicContact CG1-CD1 3.73Å; I131-F155 HydrophobicContact CG1-CD2 4.27Å; I131-F155 HydrophobicContact CG1-CE1 4.05Å; I131-F155 HydrophobicContact CG1-CG 3.84Å; I131-F155 HydrophobicContact CG1-CZ 4.48Å; I131-F155 HydrophobicContact CG2-CD1 4.37Å; I131-F155 HydrophobicContact CG2-CE1 4.18Å; Y141-F155 HydrophobicContact CD2-CD1 4.35Å; Y141-F155 AromaticContact CD2-CE1 3.54Å; Y141-F155 HydrophobicContact CD2-CE1 3.54Å; Y141-F155 HydrophobicContact CD2-CZ 4.4Å; Y141-F155 AromaticContact CE2-CE1 3.69Å; Y141-F155 HydrophobicContact CE2-CE1 3.69Å; Y141-F155 HydrophobicContact CE2-CZ 4.22Å; F155-W157 VanDerWaalsContact O-CD1 3.24Å; F155-W157 PolarHBondContact O-N 2.75Å; F155-L296 HydrophobicContact CE1-CD2 4.21Å; F155-L296 HydrophobicContact CE2-CD2 3.93Å; F155-L296 HydrophobicContact CZ-CD2 3.49Å; F155-L296 VanDerWaalsContact CZ-CD2 3.49Å; F155-I299 HydrophobicContact CE2-CD1 4.47Å; F155-I299 HydrophobicContact CZ-CD1 4.47Å |
| 156 | P | 84.2 | Confident | 80.8 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.7 | 174.9 | 25.9 | -34.3 | 0 | 0 | 0 | 111.3 | V130 L172 L245 L247 | V130-P156 PolarHBondContact N-O 3.22Å; V130-P156 WeakPolarHBondContact O-CD 3.33Å; V130-P156 WeakPolarHBondContact O-CG 3.24Å; P156-L172 HydrophobicContact CB-CB 4.15Å; P156-L172 HydrophobicContact CB-CD1 3.96Å; P156-L172 HydrophobicContact CB-CD2 3.92Å; P156-L172 HydrophobicContact CB-CG 4.23Å; P156-L172 HydrophobicContact CG-CD1 3.83Å; P156-L172 HydrophobicContact CG-CD2 3.61Å; P156-L172 HydrophobicContact CG-CG 4.23Å; P156-L245 HydrophobicContact CB-CD1 4.43Å; P156-L247 HydrophobicContact CB-CD1 4.38Å; P156-L247 HydrophobicContact CB-CD2 4.4Å |
| 157 | W | 89.4 | Confident | 81.6 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 22% | 0.223 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 162.2 | -179.3 | 67.4 | -93.1 | 0 | 0 | 0 | 112.7 | R127 V128 V129 E154 F155 F159 F312 | R127-W157 HydrophobicContact CG-CB 4.15Å; R127-W157 HydrophobicContact CG-CD2 4.22Å; R127-W157 HydrophobicContact CG-CE3 3.81Å; R127-W157 HydrophobicContact CG-CG 4.37Å; R127-W157 VanDerWaalsContact NE-CD2 3.3Å; V128-W157 CarbonylContact O-C 3.5Å; V128-W157 WeakPolarHBondContact O-CA 3.14Å; V128-W157 WeakPolarHBondContact O-CB 3.09Å; V129-W157 HydrophobicContact CB-CB 4.27Å; V129-W157 HydrophobicContact CG1-CB 4.48Å; V129-W157 HydrophobicContact CG2-CB 3.73Å; E154-W157 PolarHBondContact OE1-NE1 3.11Å; F155-W157 VanDerWaalsContact O-CD1 3.24Å; F155-W157 PolarHBondContact O-N 2.75Å; W157-F159 HydrophobicContact CH2-CD2 4.23Å; W157-F159 AromaticContact CH2-CE2 3.96Å; W157-F159 HydrophobicContact CH2-CE2 3.96Å; W157-F159 AromaticContact CZ3-CD2 3.55Å; W157-F159 HydrophobicContact CZ3-CD2 3.55Å; W157-F159 AromaticContact CZ3-CE2 3.59Å; W157-F159 HydrophobicContact CZ3-CE2 3.59Å; W157-F159 HydrophobicContact CZ3-CG 4.28Å; W157-F159 HydrophobicContact CZ3-CZ 4.35Å; W157-F312 AromaticContact CE2-CE1 3.87Å; W157-F312 HydrophobicContact CZ2-CD1 4.16Å; W157-F312 AromaticContact CZ2-CE1 3.52Å; W157-F312 HydrophobicContact CZ2-CE1 3.52Å; W157-F312 HydrophobicContact CZ2-CZ 4.27Å; W157-F312 AromaticContact NE1-CE1 3.79Å |
| 158 | E | 93.1 | Very high | 82.8 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.6 | 174.6 | -168.4 | -176 | 143.2 | 0 | 0 | 110.6 | R127 V128 P169 R170 | R127-E158 CarbonylContact C-O 3.53Å; R127-E158 WeakPolarHBondContact CA-O 3.36Å; V128-E158 PolarHBondContact N-O 3.43Å; V128-E158 PolarHBondContact O-N 3.09Å; E158-P169 HydrophobicContact CB-CB 3.96Å; E158-R170 WeakPolarHBondContact OE1-CD 3.32Å; E158-R170 IonicContact OE1-NE 3.2Å; E158-R170 WeakPolarHBondContact OE2-CB 3.49Å; E158-R170 PolarHBondContact OE2-N 3.41Å |
| 159 | F | 95 | Very high | 84.1 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 142.8 | 165.3 | -80.1 | -65.4 | 0 | 0 | 0 | 110.6 | L119 N125 H126 R127 W157 I219 | L119-F159 HydrophobicContact CD2-CZ 4.25Å; N125-F159 HydrophobicContact CB-CD1 4.33Å; N125-F159 HydrophobicContact CB-CE1 4.07Å; H126-F159 CarbonylContact O-C 3.58Å; H126-F159 WeakPolarHBondContact O-CA 3.22Å; H126-F159 WeakPolarHBondContact O-CD1 3.27Å; R127-F159 HydrophobicContact CB-CD1 4.22Å; R127-F159 HydrophobicContact CB-CE1 4.1Å; W157-F159 HydrophobicContact CH2-CD2 4.23Å; W157-F159 AromaticContact CH2-CE2 3.96Å; W157-F159 HydrophobicContact CH2-CE2 3.96Å; W157-F159 AromaticContact CZ3-CD2 3.55Å; W157-F159 HydrophobicContact CZ3-CD2 3.55Å; W157-F159 AromaticContact CZ3-CE2 3.59Å; W157-F159 HydrophobicContact CZ3-CE2 3.59Å; W157-F159 HydrophobicContact CZ3-CG 4.28Å; W157-F159 HydrophobicContact CZ3-CZ 4.35Å; F159-I219 HydrophobicContact CE1-CD1 4.17Å; F159-I219 HydrophobicContact CE1-CG1 3.93Å; F159-I219 HydrophobicContact CE1-CG2 4.14Å; F159-I219 HydrophobicContact CZ-CD1 3.74Å; F159-I219 HydrophobicContact CZ-CG1 4Å |
| 160 | T | 95.6 | Very high | 85.6 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 145.2 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | H126 V128 E162 P163 L166 | H126-T160 WeakPolarHBondContact CB-O 3.07Å; H126-T160 PolarHBondContact O-N 3.14Å; V128-T160 HydrophobicContact CG2-CG2 3.71Å; T160-E162 PolarHBondContact OG1-N 3.07Å; T160-E162 VanDerWaalsContact OG1-N 3.13Å; T160-P163 HydrophobicContact CG2-CB 4.01Å; T160-L166 HydrophobicContact CG2-CB 4.17Å; T160-L166 HydrophobicContact CG2-CD2 3.74Å |
| 161 | D | 95.7 | Very high | 87.3 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -79.4 | -12.4 | 170.8 | -73.9 | -38.3 | 0 | 0 | 0 | 111.9 | N85 V86 D87 R121 | N85-D161 VanDerWaalsContact O-CB 3.26Å; N85-D161 WeakPolarHBondContact O-CB 3.35Å; V86-D161 HydrophobicContact CB-CB 4.47Å; V86-D161 HydrophobicContact CG1-CB 4.41Å; V86-D161 HydrophobicContact CG2-CB 4.27Å; D87-D161 VanDerWaalsContact CB-O 3.23Å; D87-D161 WeakPolarHBondContact CB-O 3.36Å; D87-D161 PolarHBondContact N-O 3.13Å; R121-D161 IonicContact CZ-OD1 2.83Å; R121-D161 IonicContact CZ-OD2 2.7Å; R121-D161 IonicContact NE-OD1 2.87Å; R121-D161 PolarHBondContact NE-OD1 2.61Å; R121-D161 IonicContact NE-OD2 3.41Å; R121-D161 PolarHBondContact NE-OD2 3.16Å; R121-D161 IonicContact NH2-OD1 3.25Å; R121-D161 IonicContact NH2-OD2 2.89Å; R121-D161 PolarHBondContact NH2-OD2 3.38Å |
| 162 | E | 95.5 | Very high | 88.9 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | trans | -131 | 64.6 | -175.4 | -60.8 | -174 | 71.5 | 0 | 0 | 112 | Y82 N85 T160 K164 A165 L166 | Y82-E162 HydrophobicContact CE2-CG 4.23Å; Y82-E162 PolarHBondContact OH-OE1 3.49Å; Y82-E162 VanDerWaalsContact OH-OE1 3.13Å; N85-E162 WeakPolarHBondContact O-CG 3.35Å; T160-E162 PolarHBondContact OG1-N 3.07Å; T160-E162 VanDerWaalsContact OG1-N 3.13Å; E162-K164 PolarHBondContact O-N 2.81Å; E162-K164 VanDerWaalsContact O-N 3.09Å; E162-A165 HydrophobicContact CB-CB 3.95Å; E162-A165 PolarHBondContact O-N 2.79Å; E162-L166 PolarHBondContact O-N 3.3Å | ||
| 163 | P | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.1 | -171.9 | 25.8 | -37.7 | 0 | 0 | 0 | 114.7 | H126 V128 T160 W222 | H126-P163 HydrophobicContact CB-CB 3.81Å; H126-P163 HydrophobicContact CB-CG 3.71Å; V128-P163 HydrophobicContact CG2-CB 4.15Å; T160-P163 HydrophobicContact CG2-CB 4.01Å; P163-W222 HydrophobicContact CB-CD2 4.08Å; P163-W222 HydrophobicContact CB-CG 3.97Å; P163-W222 HydrophobicContact CB-CZ2 4.34Å; P163-W222 HydrophobicContact CG-CZ2 4.09Å |
| 164 | K | 91.4 | Very high | 92 | Very high | 119 Ų | 119 | 48.4 Ų | 48.4 | 52% | 0.517 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -31.8 | 176.8 | -67.3 | 176 | -177.4 | 167.8 | 0 | 112.5 | E162 W222 | E162-K164 PolarHBondContact O-N 2.81Å; E162-K164 VanDerWaalsContact O-N 3.09Å; K164-W222 HydrophobicContact CD-CH2 4.37Å; K164-W222 HydrophobicContact CG-CH2 3.7Å; K164-W222 HydrophobicContact CG-CZ2 4.24Å; K164-W222 HydrophobicContact CG-CZ3 4.2Å |
| 165 | A | 93 | Very high | 93.1 | Very high | 61 Ų | 61 | 46 Ų | 46 | 50% | 0.504 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -34.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E162 K167 | E162-A165 HydrophobicContact CB-CB 3.95Å; E162-A165 PolarHBondContact O-N 2.79Å; A165-K167 PolarHBondContact O-N 3.34Å |
| 166 | L | 93.7 | Very high | 93.9 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | trans | -68.8 | 103.3 | 178.7 | -172.5 | 62.2 | 0 | 0 | 0 | 110.9 | V128 T160 E162 L168 K200 | V128-L166 HydrophobicContact CB-CD2 3.9Å; V128-L166 HydrophobicContact CG1-CD2 4.39Å; V128-L166 HydrophobicContact CG2-CB 4.31Å; V128-L166 HydrophobicContact CG2-CD2 3.95Å; V128-L166 HydrophobicContact CG2-CG 4.43Å; T160-L166 HydrophobicContact CG2-CB 4.17Å; T160-L166 HydrophobicContact CG2-CD2 3.74Å; E162-L166 PolarHBondContact O-N 3.3Å; L166-L168 WeakPolarHBondContact CD1-O 3.19Å; L166-K200 PolarHBondContact O-NZ 3.05Å | ||
| 167 | K | 89.7 | Confident | 94.5 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -79.9 | -35.7 | -179 | -64.9 | -173.3 | -172.3 | 171.6 | 0 | 113 | A165 K197 K200 | A165-K167 PolarHBondContact O-N 3.34Å; K167-K197 HydrophobicContact CB-CB 3.96Å; K167-K197 HydrophobicContact CB-CD 4.04Å; K167-K197 HydrophobicContact CB-CG 3.75Å; K167-K197 HydrophobicContact CD-CB 3.96Å; K167-K197 HydrophobicContact CD-CD 4.41Å; K167-K197 HydrophobicContact CD-CG 4.47Å; K167-K200 VanDerWaalsContact CA-NZ 3.31Å; K167-K200 HydrophobicContact CB-CD 4.46Å; K167-K200 WeakPolarHBondContact O-CD 3.39Å; K167-K200 PolarHBondContact O-NZ 3.3Å; K167-K200 VanDerWaalsContact O-NZ 3.11Å |
| 168 | L | 94.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -150.4 | 132.8 | -174.6 | -169.6 | 66.5 | 0 | 0 | 0 | 107.4 | V130 L166 R170 L172 E173 I176 I193 K197 I226 | V130-L168 HydrophobicContact CB-CD1 4.42Å; V130-L168 HydrophobicContact CG1-CD1 3.96Å; V130-L168 HydrophobicContact CG2-CD1 4.21Å; L166-L168 WeakPolarHBondContact CD1-O 3.19Å; L168-R170 PolarHBondContact O-N 2.94Å; L168-L172 HydrophobicContact CD1-CD2 3.61Å; L168-L172 HydrophobicContact CD1-CG 4.19Å; L168-L172 HydrophobicContact CG-CD2 4.31Å; L168-L172 HydrophobicContact CG-CG 4.47Å; L168-E173 HydrophobicContact CD2-CB 3.8Å; L168-E173 HydrophobicContact CD2-CG 4.06Å; L168-E173 HydrophobicContact CG-CB 4.28Å; L168-I176 HydrophobicContact CD1-CD1 4.44Å; L168-I176 HydrophobicContact CD2-CD1 3.82Å; L168-I193 HydrophobicContact CD2-CG2 4.29Å; L168-K197 HydrophobicContact CB-CG 4.23Å; L168-I226 HydrophobicContact CD1-CD1 4.1Å |
| 169 | P | 94.7 | Very high | 95 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | trans | -51.4 | 138.2 | 173.6 | -29.5 | 35.3 | 0 | 0 | 0 | 111.8 | V128 V130 E158 M171 L172 E173 | V128-P169 HydrophobicContact CG1-CG 4.45Å; V130-P169 HydrophobicContact CG2-CG 4.02Å; E158-P169 HydrophobicContact CB-CB 3.96Å; P169-M171 PolarHBondContact O-N 3.16Å; P169-L172 HydrophobicContact CB-CB 3.93Å; P169-L172 HydrophobicContact CG-CB 4.47Å; P169-L172 WeakPolarHBondContact O-CB 2.82Å; P169-L172 PolarHBondContact O-N 2.88Å; P169-L172 VanDerWaalsContact O-N 3.15Å; P169-E173 PolarHBondContact O-N 2.72Å | ||
| 170 | R | 95.3 | Very high | 95.1 | Very high | 177 Ų | 177 | 45.6 Ų | 45.6 | 67% | 0.668 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.4 | -45.3 | -172.8 | -64 | 175.4 | 179.2 | 163.9 | 0.8 | 111.6 | E158 L168 L172 E173 A174 | E158-R170 WeakPolarHBondContact OE1-CD 3.32Å; E158-R170 IonicContact OE1-NE 3.2Å; E158-R170 WeakPolarHBondContact OE2-CB 3.49Å; E158-R170 PolarHBondContact OE2-N 3.41Å; L168-R170 PolarHBondContact O-N 2.94Å; R170-L172 VanDerWaalsContact C-N 3.33Å; R170-L172 PolarHBondContact O-N 3.39Å; R170-E173 PolarHBondContact O-N 3.02Å; R170-A174 PolarHBondContact O-N 2.84Å |
| 171 | M | 94.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 46% | 0.458 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.4 | -36.4 | 177.5 | -68.2 | -61.3 | -69.5 | 0 | 0 | 111.9 | P169 A174 V175 L245 | P169-M171 PolarHBondContact O-N 3.16Å; M171-A174 PolarHBondContact O-N 3.1Å; M171-V175 WeakPolarHBondContact O-CG2 3.15Å; M171-V175 PolarHBondContact O-N 3.24Å; M171-L245 HydrophobicContact CB-CD1 3.82Å; M171-L245 HydrophobicContact CB-CD2 3.94Å; M171-L245 HydrophobicContact CB-CG 4.09Å |
| 172 | L | 95.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 174.4 | 178.3 | 59.7 | 0 | 0 | 0 | 111 | V130 I132 P156 L168 P169 R170 A174 V175 I176 L245 L247 | V130-L172 HydrophobicContact CB-CD2 3.82Å; V130-L172 HydrophobicContact CG1-CD2 4.01Å; I132-L172 HydrophobicContact CD1-CD1 4.18Å; I132-L172 HydrophobicContact CD1-CD2 4.11Å; I132-L172 HydrophobicContact CD1-CG 4.48Å; P156-L172 HydrophobicContact CB-CB 4.15Å; P156-L172 HydrophobicContact CB-CD1 3.96Å; P156-L172 HydrophobicContact CB-CD2 3.92Å; P156-L172 HydrophobicContact CB-CG 4.23Å; P156-L172 HydrophobicContact CG-CD1 3.83Å; P156-L172 HydrophobicContact CG-CD2 3.61Å; P156-L172 HydrophobicContact CG-CG 4.23Å; L168-L172 HydrophobicContact CD1-CD2 3.61Å; L168-L172 HydrophobicContact CD1-CG 4.19Å; L168-L172 HydrophobicContact CG-CD2 4.31Å; L168-L172 HydrophobicContact CG-CG 4.47Å; P169-L172 HydrophobicContact CB-CB 3.93Å; P169-L172 HydrophobicContact CG-CB 4.47Å; P169-L172 WeakPolarHBondContact O-CB 2.82Å; P169-L172 PolarHBondContact O-N 2.88Å; P169-L172 VanDerWaalsContact O-N 3.15Å; R170-L172 VanDerWaalsContact C-N 3.33Å; R170-L172 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact C-N 3.27Å; L172-A174 PolarHBondContact O-N 2.85Å; L172-V175 PolarHBondContact O-N 3.4Å; L172-I176 HydrophobicContact CD1-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG1 4.32Å; L172-I176 HydrophobicContact CG-CD1 3.83Å; L172-I176 WeakPolarHBondContact O-CD1 3.05Å; L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 2.79Å; L172-L245 HydrophobicContact CB-CD1 4.37Å; L172-L247 HydrophobicContact CD1-CD1 3.63Å |
| 173 | E | 97 | Very high | 95.2 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 175.3 | -171.6 | 170.5 | 156.6 | 0 | 0 | 111.6 | L168 P169 R170 I176 K177 I193 K197 | L168-E173 HydrophobicContact CD2-CB 3.8Å; L168-E173 HydrophobicContact CD2-CG 4.06Å; L168-E173 HydrophobicContact CG-CB 4.28Å; P169-E173 PolarHBondContact O-N 2.72Å; R170-E173 PolarHBondContact O-N 3.02Å; E173-I176 PolarHBondContact O-N 3.17Å; E173-K177 HydrophobicContact CG-CD 4.42Å; E173-K177 WeakPolarHBondContact O-CB 2.96Å; E173-K177 WeakPolarHBondContact O-CG 3.48Å; E173-K177 PolarHBondContact O-N 2.75Å; E173-K177 VanDerWaalsContact OE1-CE 3.3Å; E173-K177 WeakPolarHBondContact OE1-CE 3.31Å; E173-K177 IonicContact OE1-NZ 2.88Å; E173-K177 PolarHBondContact OE1-NZ 3.1Å; E173-I193 HydrophobicContact CG-CD1 4.31Å; E173-I193 HydrophobicContact CG-CG2 4.15Å; E173-K197 VanDerWaalsContact CD-NZ 3.27Å; E173-K197 IonicContact OE1-NZ 2.67Å; E173-K197 PolarHBondContact OE1-NZ 3.24Å; E173-K197 WeakPolarHBondContact OE2-CE 3.29Å; E173-K197 IonicContact OE2-NZ 2.77Å; E173-K197 PolarHBondContact OE2-NZ 2.75Å |
| 174 | A | 96.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R170 M171 L172 I176 K177 D178 | R170-A174 PolarHBondContact O-N 2.84Å; M171-A174 PolarHBondContact O-N 3.1Å; L172-A174 VanDerWaalsContact C-N 3.27Å; L172-A174 PolarHBondContact O-N 2.85Å; A174-I176 PolarHBondContact O-N 3.36Å; A174-K177 PolarHBondContact O-N 3.32Å; A174-D178 WeakPolarHBondContact O-CB 3.35Å; A174-D178 PolarHBondContact O-N 2.88Å |
| 175 | V | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | M171 L172 K177 D178 D179 L239 N243 T244 L245 L247 | M171-V175 WeakPolarHBondContact O-CG2 3.15Å; M171-V175 PolarHBondContact O-N 3.24Å; L172-V175 PolarHBondContact O-N 3.4Å; V175-K177 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 2.02Å; V175-D178 PolarHBondContact O-N 3.41Å; V175-D179 WeakPolarHBondContact O-CB 3.43Å; V175-D179 PolarHBondContact O-N 3.45Å; V175-L239 HydrophobicContact CG1-CD2 4.01Å; V175-N243 HydrophobicContact CG1-CB 3.97Å; V175-N243 HydrophobicContact CG2-CB 4.26Å; V175-T244 WeakPolarHBondContact CG2-OG1 3.37Å; V175-L245 HydrophobicContact CG2-CB 4.23Å; V175-L245 HydrophobicContact CG2-CD1 4.13Å; V175-L245 HydrophobicContact CG2-CG 4.07Å; V175-L247 HydrophobicContact CG1-CD1 4.25Å |
| 176 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177 | -67.1 | 159.3 | 0 | 0 | 0 | 110.8 | I132 L168 L172 E173 A174 L180 I193 L234 M237 | I132-I176 HydrophobicContact CD1-CD1 4.12Å; L168-I176 HydrophobicContact CD1-CD1 4.44Å; L168-I176 HydrophobicContact CD2-CD1 3.82Å; L172-I176 HydrophobicContact CD1-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG1 4.32Å; L172-I176 HydrophobicContact CG-CD1 3.83Å; L172-I176 WeakPolarHBondContact O-CD1 3.05Å; L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 2.79Å; E173-I176 PolarHBondContact O-N 3.17Å; A174-I176 PolarHBondContact O-N 3.36Å; I176-L180 HydrophobicContact CG2-CD1 3.76Å; I176-L180 HydrophobicContact CG2-CG 4.41Å; I176-L180 WeakPolarHBondContact O-CB 3.16Å; I176-L180 WeakPolarHBondContact O-CG 3.47Å; I176-L180 PolarHBondContact O-N 2.7Å; I176-L180 VanDerWaalsContact O-N 3.08Å; I176-I193 HydrophobicContact CG2-CD1 3.96Å; I176-I193 HydrophobicContact CG2-CG1 3.74Å; I176-L234 HydrophobicContact CD1-CD2 4.23Å; I176-L234 HydrophobicContact CG1-CD2 4.45Å; I176-L234 HydrophobicContact CG2-CD2 3.65Å; I176-M237 HydrophobicContact CB-SD 4.1Å; I176-M237 HydrophobicContact CG1-CE 4.37Å; I176-M237 HydrophobicContact CG1-SD 3.55Å; I176-M237 VanDerWaalsContact CG1-SD 3.55Å; I176-M237 HydrophobicContact CG2-SD 4.17Å |
| 177 | K | 97.2 | Very high | 96 | Very high | 65 Ų | 65 | 59 Ų | 59 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -50.6 | 177.6 | -76.7 | 177.5 | -176.6 | 165.4 | 0 | 111 | E173 A174 V175 Q181 V189 I193 | E173-K177 HydrophobicContact CG-CD 4.42Å; E173-K177 WeakPolarHBondContact O-CB 2.96Å; E173-K177 WeakPolarHBondContact O-CG 3.48Å; E173-K177 PolarHBondContact O-N 2.75Å; E173-K177 VanDerWaalsContact OE1-CE 3.3Å; E173-K177 WeakPolarHBondContact OE1-CE 3.31Å; E173-K177 IonicContact OE1-NZ 2.88Å; E173-K177 PolarHBondContact OE1-NZ 3.1Å; A174-K177 PolarHBondContact O-N 3.32Å; V175-K177 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 2.02Å; K177-Q181 WeakPolarHBondContact O-CB 3.14Å; K177-Q181 WeakPolarHBondContact O-CG 3.17Å; K177-Q181 PolarHBondContact O-N 2.84Å; K177-V189 HydrophobicContact CG-CG1 4.3Å; K177-I193 HydrophobicContact CD-CD1 4.18Å; K177-I193 HydrophobicContact CG-CD1 3.35Å |
| 178 | D | 96.3 | Very high | 96.4 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -49.3 | -179.3 | -177 | 75.6 | 0 | 0 | 0 | 111.9 | A174 V175 K182 | A174-D178 WeakPolarHBondContact O-CB 3.35Å; A174-D178 PolarHBondContact O-N 2.88Å; V175-D178 PolarHBondContact O-N 3.41Å; D178-K182 WeakPolarHBondContact O-CG 3.43Å; D178-K182 WeakPolarHBondContact OD2-CE 3.25Å; D178-K182 IonicContact OD2-NZ 3.97Å; D178-K182 PolarHBondContact OD2-NZ 2.66Å |
| 179 | D | 97.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.9 | -45.2 | -177.7 | -176.8 | 90.4 | 0 | 0 | 0 | 112.3 | V175 K182 M237 S238 L239 | V175-D179 WeakPolarHBondContact O-CB 3.43Å; V175-D179 PolarHBondContact O-N 3.45Å; D179-K182 WeakPolarHBondContact O-CB 3.46Å; D179-M237 WeakPolarHBondContact OD2-CA 3.48Å; D179-M237 VanDerWaalsContact OD2-CB 3.26Å; D179-M237 WeakPolarHBondContact OD2-CB 3.13Å; D179-S238 PolarHBondContact OD1-OG 3.17Å; D179-S238 PolarHBondContact OD2-N 3.33Å; D179-S238 PolarHBondContact OD2-OG 3.1Å; D179-L239 HydrophobicContact CB-CD2 4.49Å; D179-L239 PolarHBondContact OD1-N 3.5Å |
| 180 | L | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.3 | -32.4 | -177.5 | -65.9 | 179.3 | 0 | 0 | 0 | 113.2 | I176 K182 K183 Y184 V189 I192 L236 M237 | I176-L180 HydrophobicContact CG2-CD1 3.76Å; I176-L180 HydrophobicContact CG2-CG 4.41Å; I176-L180 WeakPolarHBondContact O-CB 3.16Å; I176-L180 WeakPolarHBondContact O-CG 3.47Å; I176-L180 PolarHBondContact O-N 2.7Å; I176-L180 VanDerWaalsContact O-N 3.08Å; L180-K182 PolarHBondContact O-N 2.97Å; L180-K183 PolarHBondContact O-N 2.74Å; L180-Y184 HydrophobicContact CB-CD2 4.41Å; L180-Y184 HydrophobicContact CD2-CD2 4.28Å; L180-Y184 HydrophobicContact CD2-CE2 4.27Å; L180-Y184 WeakPolarHBondContact O-CD2 3.5Å; L180-Y184 PolarHBondContact O-N 2.63Å; L180-V189 HydrophobicContact CB-CB 4.44Å; L180-V189 HydrophobicContact CB-CG1 3.96Å; L180-V189 HydrophobicContact CB-CG2 3.68Å; L180-V189 HydrophobicContact CD1-CG1 4.37Å; L180-I192 HydrophobicContact CD1-CD1 4.3Å; L180-I192 HydrophobicContact CD1-CG2 3.92Å; L180-L236 HydrophobicContact CD2-CB 3.97Å; L180-M237 HydrophobicContact CD1-CG 4.35Å; L180-M237 HydrophobicContact CD2-CB 4.42Å; L180-M237 HydrophobicContact CD2-CG 3.73Å; L180-M237 HydrophobicContact CG-CG 3.87Å |
| 181 | Q | 96.6 | Very high | 96.9 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.8 | -16.1 | 179.9 | -74.8 | 179 | -0.6 | 0 | 0 | 113.2 | K177 K183 V186 V189 | K177-Q181 WeakPolarHBondContact O-CB 3.14Å; K177-Q181 WeakPolarHBondContact O-CG 3.17Å; K177-Q181 PolarHBondContact O-N 2.84Å; Q181-K183 PolarHBondContact O-N 2.86Å; Q181-V186 HydrophobicContact CG-CG2 4.46Å; Q181-V189 HydrophobicContact CG-CB 4.1Å; Q181-V189 HydrophobicContact CG-CG1 4.11Å; Q181-V189 HydrophobicContact CG-CG2 3.77Å |
| 182 | K | 95.2 | Very high | 97 | Very high | 101 Ų | 101 | 52.5 Ų | 52.5 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.2 | 169.2 | -66.9 | 166.6 | -172.9 | 176.4 | 0 | 112.6 | D178 D179 L180 D241 | D178-K182 WeakPolarHBondContact O-CG 3.43Å; D178-K182 WeakPolarHBondContact OD2-CE 3.25Å; D178-K182 IonicContact OD2-NZ 3.97Å; D178-K182 PolarHBondContact OD2-NZ 2.66Å; D179-K182 WeakPolarHBondContact O-CB 3.46Å; L180-K182 PolarHBondContact O-N 2.97Å; K182-D241 IonicContact NZ-OD2 3.89Å; K182-D241 PolarHBondContact NZ-OD2 3.02Å |
| 183 | K | 95.3 | Very high | 97.1 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -23.2 | -171 | -64 | 172.8 | -177.1 | 166.4 | 0 | 113.6 | L180 Q181 S238 | L180-K183 PolarHBondContact O-N 2.74Å; Q181-K183 PolarHBondContact O-N 2.86Å; K183-S238 VanDerWaalsContact NZ-CB 3.29Å; K183-S238 PolarHBondContact NZ-OG 3.38Å |
| 184 | Y | 97.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 54.6 Ų | 54.6 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -131.9 | 149.7 | -171.3 | -57 | -75.1 | 0 | 0 | 0 | 112.4 | L180 L236 | L180-Y184 HydrophobicContact CB-CD2 4.41Å; L180-Y184 HydrophobicContact CD2-CD2 4.28Å; L180-Y184 HydrophobicContact CD2-CE2 4.27Å; L180-Y184 WeakPolarHBondContact O-CD2 3.5Å; L180-Y184 PolarHBondContact O-N 2.63Å; Y184-L236 HydrophobicContact CE2-CB 4.13Å; Y184-L236 HydrophobicContact CE2-CD1 4.17Å |
| 185 | P | 97.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 57.2 Ų | 57.2 | 53% | 0.532 | 29% | 0.29 | S | S | . | . | trans | -57.8 | 148.1 | 173.9 | -23.5 | 33.6 | 0 | 0 | 0 | 112.8 | S187 T188 V189 | P185-S187 PolarHBondContact O-N 3.46Å; P185-S187 VanDerWaalsContact O-N 3.12Å; P185-T188 WeakPolarHBondContact O-CB 3.37Å; P185-T188 PolarHBondContact O-N 2Å; P185-V189 PolarHBondContact O-N 2.8Å | ||
| 186 | V | 98 | Very high | 97.1 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 49% | 0.485 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.6 | -38.5 | 179.5 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | Q181 V189 N190 | Q181-V186 HydrophobicContact CG-CG2 4.46Å; V186-V189 PolarHBondContact O-N 2.96Å; V186-N190 WeakPolarHBondContact O-CB 3.26Å; V186-N190 VanDerWaalsContact O-CG 3.26Å; V186-N190 PolarHBondContact O-N 3.19Å; V186-N190 PolarHBondContact O-ND2 3.4Å |
| 187 | S | 97.8 | Very high | 97 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.9 | -47.2 | 177 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | P185 V189 N190 E191 | P185-S187 PolarHBondContact O-N 3.46Å; P185-S187 VanDerWaalsContact O-N 3.12Å; S187-V189 VanDerWaalsContact C-N 3.35Å; S187-V189 PolarHBondContact O-N 2.82Å; S187-N190 PolarHBondContact O-N 2.83Å; S187-E191 PolarHBondContact O-N 2.89Å |
| 188 | T | 97.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | P185 E191 I192 | P185-T188 WeakPolarHBondContact O-CB 3.37Å; P185-T188 PolarHBondContact O-N 2Å; T188-E191 PolarHBondContact O-N 2.71Å; T188-I192 HydrophobicContact CG2-CD1 4.13Å; T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 2.77Å |
| 189 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | K177 L180 Q181 P185 V186 S187 E191 I192 I193 | K177-V189 HydrophobicContact CG-CG1 4.3Å; L180-V189 HydrophobicContact CB-CB 4.44Å; L180-V189 HydrophobicContact CB-CG1 3.96Å; L180-V189 HydrophobicContact CB-CG2 3.68Å; L180-V189 HydrophobicContact CD1-CG1 4.37Å; Q181-V189 HydrophobicContact CG-CB 4.1Å; Q181-V189 HydrophobicContact CG-CG1 4.11Å; Q181-V189 HydrophobicContact CG-CG2 3.77Å; P185-V189 PolarHBondContact O-N 2.8Å; V186-V189 PolarHBondContact O-N 2.96Å; S187-V189 VanDerWaalsContact C-N 3.35Å; S187-V189 PolarHBondContact O-N 2.82Å; V189-E191 VanDerWaalsContact C-N 3.31Å; V189-E191 PolarHBondContact O-N 2.88Å; V189-I192 PolarHBondContact O-N 3.47Å; V189-I193 HydrophobicContact CG1-CD1 3.9Å; V189-I193 WeakPolarHBondContact O-CG1 3.12Å; V189-I193 PolarHBondContact O-N 2.87Å |
| 190 | N | 97.7 | Very high | 96.3 | Very high | 69 Ų | 69 | 68 Ų | 68 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 176.1 | -72.3 | -23.8 | 0 | 0 | 0 | 111.7 | V186 S187 I193 E194 | V186-N190 WeakPolarHBondContact O-CB 3.26Å; V186-N190 VanDerWaalsContact O-CG 3.26Å; V186-N190 PolarHBondContact O-N 3.19Å; V186-N190 PolarHBondContact O-ND2 3.4Å; S187-N190 PolarHBondContact O-N 2.83Å; N190-I193 PolarHBondContact O-N 2.96Å; N190-E194 WeakPolarHBondContact O-CB 3.48Å; N190-E194 WeakPolarHBondContact O-CG 3.11Å; N190-E194 PolarHBondContact O-N 3.05Å |
| 191 | E | 97.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 73.2 Ų | 73.2 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.5 | -170.9 | -175 | 170.3 | 0 | 0 | 112.1 | S187 T188 V189 I193 E194 K195 | S187-E191 PolarHBondContact O-N 2.89Å; T188-E191 PolarHBondContact O-N 2.71Å; V189-E191 VanDerWaalsContact C-N 3.31Å; V189-E191 PolarHBondContact O-N 2.88Å; E191-I193 PolarHBondContact O-N 2.89Å; E191-E194 PolarHBondContact O-N 2.93Å; E191-K195 HydrophobicContact CG-CD 4.26Å; E191-K195 WeakPolarHBondContact O-CB 3.3Å; E191-K195 WeakPolarHBondContact O-CG 3.08Å; E191-K195 PolarHBondContact O-N 2.91Å; E191-K195 WeakPolarHBondContact OE1-CE 3.41Å; E191-K195 IonicContact OE1-NZ 3.5Å; E191-K195 PolarHBondContact OE1-NZ 3.03Å |
| 192 | I | 97.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.077 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 175.3 | -73.4 | 168.4 | 0 | 0 | 0 | 110.4 | L180 T188 V189 K195 A196 A233 L234 L236 | L180-I192 HydrophobicContact CD1-CD1 4.3Å; L180-I192 HydrophobicContact CD1-CG2 3.92Å; T188-I192 HydrophobicContact CG2-CD1 4.13Å; T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 2.77Å; V189-I192 PolarHBondContact O-N 3.47Å; I192-K195 PolarHBondContact O-N 3.44Å; I192-A196 WeakPolarHBondContact O-CB 3.36Å; I192-A196 PolarHBondContact O-N 2.94Å; I192-A233 HydrophobicContact CG2-CB 4.1Å; I192-L234 HydrophobicContact CG2-CD2 3.74Å; I192-L234 HydrophobicContact CG2-CG 4.41Å; I192-L236 HydrophobicContact CD1-CD1 4.21Å |
| 193 | I | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | -178.9 | -69.6 | 169.4 | 0 | 0 | 0 | 111.2 | L168 E173 I176 K177 V189 N190 E191 K195 A196 K197 | L168-I193 HydrophobicContact CD2-CG2 4.29Å; E173-I193 HydrophobicContact CG-CD1 4.31Å; E173-I193 HydrophobicContact CG-CG2 4.15Å; I176-I193 HydrophobicContact CG2-CD1 3.96Å; I176-I193 HydrophobicContact CG2-CG1 3.74Å; K177-I193 HydrophobicContact CD-CD1 4.18Å; K177-I193 HydrophobicContact CG-CD1 3.35Å; V189-I193 HydrophobicContact CG1-CD1 3.9Å; V189-I193 WeakPolarHBondContact O-CG1 3.12Å; V189-I193 PolarHBondContact O-N 2.87Å; N190-I193 PolarHBondContact O-N 2.96Å; E191-I193 PolarHBondContact O-N 2.89Å; I193-K195 PolarHBondContact O-N 3.42Å; I193-A196 WeakPolarHBondContact O-CB 3.41Å; I193-A196 PolarHBondContact O-N 2.74Å; I193-K197 HydrophobicContact CG2-CD 4.12Å; I193-K197 VanDerWaalsContact CG2-CE 3.48Å; I193-K197 HydrophobicContact CG2-CG 4.46Å; I193-K197 WeakPolarHBondContact O-CG 3.26Å; I193-K197 PolarHBondContact O-N 2.7Å |
| 194 | E | 97 | Very high | 93.2 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 179.5 | -72.1 | -54.1 | 122.5 | 0 | 0 | 112.3 | N190 E191 K197 K198 | N190-E194 WeakPolarHBondContact O-CB 3.48Å; N190-E194 WeakPolarHBondContact O-CG 3.11Å; N190-E194 PolarHBondContact O-N 3.05Å; E191-E194 PolarHBondContact O-N 2.93Å; E194-K197 WeakPolarHBondContact OE1-CD 3.3Å; E194-K197 IonicContact OE1-NZ 3.41Å; E194-K197 PolarHBondContact OE1-NZ 3.08Å; E194-K198 WeakPolarHBondContact O-CG 3.12Å; E194-K198 PolarHBondContact O-N 2.93Å; E194-K198 VanDerWaalsContact O-N 3.12Å |
| 195 | K | 96.2 | Very high | 92.5 | Very high | 103 Ų | 103 | 66.5 Ų | 66.5 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 170.7 | -76.9 | 177.8 | -177.4 | 170.8 | 0 | 111.4 | E191 I192 I193 K198 K199 | E191-K195 HydrophobicContact CG-CD 4.26Å; E191-K195 WeakPolarHBondContact O-CB 3.3Å; E191-K195 WeakPolarHBondContact O-CG 3.08Å; E191-K195 PolarHBondContact O-N 2.91Å; E191-K195 WeakPolarHBondContact OE1-CE 3.41Å; E191-K195 IonicContact OE1-NZ 3.5Å; E191-K195 PolarHBondContact OE1-NZ 3.03Å; I192-K195 PolarHBondContact O-N 3.44Å; I193-K195 PolarHBondContact O-N 3.42Å; K195-K198 PolarHBondContact O-N 3.41Å; K195-K199 WeakPolarHBondContact O-CB 3.23Å; K195-K199 WeakPolarHBondContact O-CG 3.1Å; K195-K199 PolarHBondContact O-N 2.91Å |
| 196 | A | 95.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I192 I193 K198 K199 K200 I226 L234 | I192-A196 WeakPolarHBondContact O-CB 3.36Å; I192-A196 PolarHBondContact O-N 2.94Å; I193-A196 WeakPolarHBondContact O-CB 3.41Å; I193-A196 PolarHBondContact O-N 2.74Å; A196-K198 PolarHBondContact O-N 2.87Å; A196-K199 PolarHBondContact O-N 3.27Å; A196-K200 PolarHBondContact O-N 2.86Å; A196-K200 VanDerWaalsContact O-N 3.08Å; A196-I226 HydrophobicContact CB-CD1 4.28Å; A196-I226 HydrophobicContact CB-CG2 4.03Å; A196-L234 HydrophobicContact CB-CD1 3.62Å; A196-L234 HydrophobicContact CB-CD2 4.24Å; A196-L234 HydrophobicContact CB-CG 3.86Å |
| 197 | K | 95.4 | Very high | 91 | Very high | 26 Ų | 26 | 59 Ų | 59 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -33.5 | 175 | -74.4 | 174.3 | -175.7 | 168.3 | 0 | 112.9 | K167 L168 E173 I193 E194 K200 | K167-K197 HydrophobicContact CB-CB 3.96Å; K167-K197 HydrophobicContact CB-CD 4.04Å; K167-K197 HydrophobicContact CB-CG 3.75Å; K167-K197 HydrophobicContact CD-CB 3.96Å; K167-K197 HydrophobicContact CD-CD 4.41Å; K167-K197 HydrophobicContact CD-CG 4.47Å; L168-K197 HydrophobicContact CB-CG 4.23Å; E173-K197 VanDerWaalsContact CD-NZ 3.27Å; E173-K197 IonicContact OE1-NZ 2.67Å; E173-K197 PolarHBondContact OE1-NZ 3.24Å; E173-K197 WeakPolarHBondContact OE2-CE 3.29Å; E173-K197 IonicContact OE2-NZ 2.77Å; E173-K197 PolarHBondContact OE2-NZ 2.75Å; I193-K197 HydrophobicContact CG2-CD 4.12Å; I193-K197 VanDerWaalsContact CG2-CE 3.48Å; I193-K197 HydrophobicContact CG2-CG 4.46Å; I193-K197 WeakPolarHBondContact O-CG 3.26Å; I193-K197 PolarHBondContact O-N 2.7Å; E194-K197 WeakPolarHBondContact OE1-CD 3.3Å; E194-K197 IonicContact OE1-NZ 3.41Å; E194-K197 PolarHBondContact OE1-NZ 3.08Å; K197-K200 WeakPolarHBondContact O-CG 3.42Å |
| 198 | K | 94.1 | Very high | 90.1 | Very high | 164 Ų | 164 | 56 Ų | 56 | 71% | 0.713 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -78.7 | -35.7 | 176.5 | -72.7 | 174.2 | -176.9 | 178.6 | 0 | 113.1 | E194 K195 A196 K200 | E194-K198 WeakPolarHBondContact O-CG 3.12Å; E194-K198 PolarHBondContact O-N 2.93Å; E194-K198 VanDerWaalsContact O-N 3.12Å; K195-K198 PolarHBondContact O-N 3.41Å; A196-K198 PolarHBondContact O-N 2.87Å; K198-K200 VanDerWaalsContact C-N 3.34Å |
| 199 | K | 91 | Very high | 89 | Confident | 156 Ų | 156 | 54.2 Ų | 54.2 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -81.9 | -9.7 | -178.8 | -74.4 | -174.6 | 175.7 | -174.3 | 0 | 114.2 | K195 A196 | K195-K199 WeakPolarHBondContact O-CB 3.23Å; K195-K199 WeakPolarHBondContact O-CG 3.1Å; K195-K199 PolarHBondContact O-N 2.91Å; A196-K199 PolarHBondContact O-N 3.27Å |
| 200 | K | 90.6 | Very high | 88.3 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | trans | -57.9 | 139.7 | -179.2 | 79.9 | -177.8 | -171.8 | 140.5 | 0 | 111.7 | L166 K167 A196 K197 K198 Y224 E225 I226 | L166-K200 PolarHBondContact O-NZ 3.05Å; K167-K200 VanDerWaalsContact CA-NZ 3.31Å; K167-K200 HydrophobicContact CB-CD 4.46Å; K167-K200 WeakPolarHBondContact O-CD 3.39Å; K167-K200 PolarHBondContact O-NZ 3.3Å; K167-K200 VanDerWaalsContact O-NZ 3.11Å; A196-K200 PolarHBondContact O-N 2.86Å; A196-K200 VanDerWaalsContact O-N 3.08Å; K197-K200 WeakPolarHBondContact O-CG 3.42Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K200-Y224 HydrophobicContact CD-CD1 3.84Å; K200-Y224 HydrophobicContact CD-CE1 4.29Å; K200-Y224 HydrophobicContact CD-CG 4.01Å; K200-Y224 HydrophobicContact CG-CD1 3.94Å; K200-Y224 HydrophobicContact CG-CG 4.44Å; K200-Y224 VanDerWaalsContact NZ-CE2 3.28Å; K200-E225 CarbonylContact C-O 3.55Å; K200-E225 VanDerWaalsContact CA-O 3.31Å; K200-E225 WeakPolarHBondContact CA-O 3.17Å; K200-I226 HydrophobicContact CB-CD1 4.26Å; K200-I226 HydrophobicContact CB-CG1 3.76Å | ||
| 201 | R | 86.4 | Confident | 87.7 | Confident | 110 Ų | 110 | 51.8 Ų | 51.8 | 42% | 0.415 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.2 | 176.8 | -176 | 176.6 | 68.9 | 128.9 | -7.5 | 109.6 | V203 Y224 E225 S293 | R201-V203 PolarHBondContact O-N 3.37Å; R201-Y224 CarbonylContact O-C 3.48Å; R201-Y224 VanDerWaalsContact O-CA 3.27Å; R201-Y224 WeakPolarHBondContact O-CA 3.46Å; R201-E225 IonicContact CZ-OE2 3.64Å; R201-E225 PolarHBondContact N-O 3.36Å; R201-E225 IonicContact NE-OE2 3.57Å; R201-E225 PolarHBondContact NE-OE2 3.16Å; R201-E225 IonicContact NH2-OE2 2.7Å; R201-E225 PolarHBondContact NH2-OE2 3.22Å; R201-E225 PolarHBondContact O-N 2.88Å; R201-S293 PolarHBondContact NH2-OG 2.75Å |
| 202 | L | 83.7 | Confident | 87.3 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.366 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.3 | 169.3 | -177.1 | 67.2 | 0 | 0 | 0 | 108.1 | Y204 R205 W222 Y224 | L202-Y204 VanDerWaalsContact CD1-O 3.31Å; L202-Y204 WeakPolarHBondContact CD1-O 3.35Å; L202-R205 HydrophobicContact CD1-CB 4.39Å; L202-R205 HydrophobicContact CD2-CB 4.22Å; L202-W222 HydrophobicContact CD1-CB 4.42Å; L202-W222 HydrophobicContact CD1-CE3 3.9Å; L202-W222 HydrophobicContact CD2-CE3 4.16Å; L202-W222 HydrophobicContact CD2-CZ3 4.18Å; L202-Y224 HydrophobicContact CB-CD1 4.06Å; L202-Y224 HydrophobicContact CB-CE1 3.8Å; L202-Y224 HydrophobicContact CD1-CD1 4.14Å; L202-Y224 HydrophobicContact CD1-CE1 3.74Å; L202-Y224 HydrophobicContact CD1-CE2 4.44Å; L202-Y224 HydrophobicContact CG-CE1 4.34Å |
| 203 | V | 75.7 | Confident | 87.1 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -42.9 | -179.5 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | R201 L223 E225 D297 | R201-V203 PolarHBondContact O-N 3.37Å; V203-L223 HydrophobicContact CB-CD2 4.48Å; V203-L223 HydrophobicContact CG1-CD2 4.43Å; V203-L223 PolarHBondContact N-O 3.03Å; V203-E225 HydrophobicContact CG2-CB 3.52Å; V203-D297 WeakPolarHBondContact CG1-OD1 3.42Å |
| 204 | Y | 75 | Confident | 87 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.9 | 179.3 | 171 | -89.9 | 0 | 0 | 0 | 111.4 | M14 L202 G206 Y207 T221 L223 N304 | M14-Y204 HydrophobicContact CE-CD2 4.17Å; M14-Y204 HydrophobicContact CE-CE2 4.27Å; L202-Y204 VanDerWaalsContact CD1-O 3.31Å; L202-Y204 WeakPolarHBondContact CD1-O 3.35Å; Y204-G206 VanDerWaalsContact OH-CA 3.3Å; Y204-G206 WeakPolarHBondContact OH-CA 2.91Å; Y204-Y207 PolarHBondContact OH-O 3.32Å; Y204-T221 HydrophobicContact CD1-CG2 4.42Å; Y204-L223 HydrophobicContact CD1-CB 4.42Å; Y204-L223 PolarHBondContact N-O 3.33Å; Y204-L223 PolarHBondContact O-N 2.91Å; Y204-N304 PolarHBondContact OH-ND2 3.03Å |
| 205 | R | 81.9 | Confident | 87 | Confident | 116 Ų | 116 | 44.6 Ų | 44.6 | 44% | 0.438 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 118.1 | 169.4 | -174 | -177.1 | 79 | -167.8 | -2.5 | 108.8 | A91 L202 T221 W222 | A91-R205 HydrophobicContact CB-CG 3.65Å; A91-R205 PolarHBondContact O-NE 2.79Å; A91-R205 PolarHBondContact O-NH2 2.85Å; L202-R205 HydrophobicContact CD1-CB 4.39Å; L202-R205 HydrophobicContact CD2-CB 4.22Å; R205-T221 VanDerWaalsContact CA-O 3.24Å; R205-T221 WeakPolarHBondContact CA-O 3.32Å; R205-W222 HydrophobicContact CG-CD2 3.79Å; R205-W222 HydrophobicContact CG-CE3 3.95Å; R205-W222 HydrophobicContact CG-CG 4.3Å; R205-W222 HydrophobicContact CG-CH2 4.37Å; R205-W222 HydrophobicContact CG-CZ2 4.2Å; R205-W222 HydrophobicContact CG-CZ3 4.25Å |
| 206 | G | 79.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177 | 168.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T92 Y204 Y208 E220 T221 | T92-G206 WeakPolarHBondContact OG1-CA 3.2Å; Y204-G206 VanDerWaalsContact OH-CA 3.3Å; Y204-G206 WeakPolarHBondContact OH-CA 2.91Å; G206-Y208 PolarHBondContact O-N 3.39Å; G206-E220 CarbonylContact O-C 3.57Å; G206-E220 VanDerWaalsContact O-CA 3.25Å; G206-E220 WeakPolarHBondContact O-CA 3.38Å; G206-T221 PolarHBondContact N-O 2.93Å; G206-T221 PolarHBondContact O-N 3.14Å |
| 207 | Y | 83.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 127.3 | 165.9 | -174.5 | -84.7 | 0 | 0 | 0 | 110.9 | Y25 T92 F93 N106 R108 Y204 H209 N213 W218 N304 | Y25-Y207 PolarHBondContact OH-OH 2.6Å; T92-Y207 PolarHBondContact OG1-N 2.93Å; F93-Y207 AromaticContact CE2-CD2 3.78Å; F93-Y207 HydrophobicContact CE2-CD2 3.78Å; F93-Y207 HydrophobicContact CE2-CG 4.13Å; F93-Y207 HydrophobicContact CZ-CD2 4.12Å; F93-Y207 HydrophobicContact CZ-CG 4.14Å; N106-Y207 PolarHBondContact ND2-OH 3.48Å; N106-Y207 VanDerWaalsContact OD1-CE2 3.32Å; N106-Y207 WeakPolarHBondContact OD1-CE2 3.01Å; R108-Y207 HydrophobicContact CB-CE1 4.4Å; R108-Y207 HydrophobicContact CB-CE2 4.23Å; R108-Y207 HydrophobicContact CG-CD1 3.83Å; R108-Y207 HydrophobicContact CG-CD2 3.89Å; R108-Y207 HydrophobicContact CG-CE1 3.8Å; R108-Y207 HydrophobicContact CG-CE2 3.8Å; R108-Y207 HydrophobicContact CG-CG 3.88Å; Y204-Y207 PolarHBondContact OH-O 3.32Å; Y207-H209 AromaticContact CD1-CD2 3.84Å; Y207-H209 AromaticContact CD1-CE1 3.98Å; Y207-H209 AromaticContact CD1-NE2 3.69Å; Y207-H209 AromaticContact CE1-CE1 3.64Å; Y207-H209 AromaticContact CE1-CG 3.92Å; Y207-H209 AromaticContact CE1-ND1 3.69Å; Y207-H209 AromaticContact CE1-NE2 3.84Å; Y207-N213 PolarHBondContact OH-ND2 2.99Å; Y207-N213 VanDerWaalsContact OH-ND2 3.07Å; Y207-W218 HydrophobicContact CD2-CB 4.21Å; Y207-W218 AromaticContact CD2-CD1 3.57Å; Y207-W218 HydrophobicContact CD2-CG 4.01Å; Y207-W218 HydrophobicContact CE2-CB 3.46Å; Y207-W218 VanDerWaalsContact CE2-CB 3.46Å; Y207-W218 AromaticContact CE2-CD1 3.69Å; Y207-W218 AromaticContact CE2-CG 3.63Å; Y207-W218 HydrophobicContact CE2-CG 3.63Å; Y207-N304 PolarHBondContact O-OD1 3.38Å |
| 208 | Y | 78.7 | Confident | 87.1 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 9% | 0.086 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.5 | 177.7 | -177 | -109.3 | 0 | 0 | 0 | 109.7 | R127 G206 D210 N213 I219 T221 I303 | R127-Y208 VanDerWaalsContact NH1-CZ 3.29Å; G206-Y208 PolarHBondContact O-N 3.39Å; Y208-D210 HydrophobicContact CD1-CB 3.79Å; Y208-D210 HydrophobicContact CE1-CB 3.92Å; Y208-D210 WeakPolarHBondContact CE1-OD2 3.27Å; Y208-D210 PolarHBondContact O-N 3.34Å; Y208-N213 PolarHBondContact O-ND2 3.24Å; Y208-I219 HydrophobicContact CD1-CB 4.34Å; Y208-I219 HydrophobicContact CD1-CG2 3.97Å; Y208-I219 HydrophobicContact CG-CG2 4.35Å; Y208-I219 PolarHBondContact N-O 2.81Å; Y208-T221 WeakPolarHBondContact CB-OG1 3.18Å; Y208-I303 HydrophobicContact CD2-CG2 4.33Å; Y208-I303 HydrophobicContact CE2-CB 4.46Å; Y208-I303 HydrophobicContact CE2-CG2 3.45Å; Y208-I303 VanDerWaalsContact CE2-CG2 3.45Å |
| 209 | H | 75.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | trans | -71.3 | 111.3 | 175 | -72.2 | -88.1 | 0 | 0 | 0 | 109.7 | S21 Y207 N304 | S21-H209 WeakPolarHBondContact CB-CE1 3.31Å; Y207-H209 AromaticContact CD1-CD2 3.84Å; Y207-H209 AromaticContact CD1-CE1 3.98Å; Y207-H209 AromaticContact CD1-NE2 3.69Å; Y207-H209 AromaticContact CE1-CE1 3.64Å; Y207-H209 AromaticContact CE1-CG 3.92Å; Y207-H209 AromaticContact CE1-ND1 3.69Å; Y207-H209 AromaticContact CE1-NE2 3.84Å; H209-N304 PolarHBondContact CD2-O 3.19Å | ||
| 210 | D | 82.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | trans | -140.1 | 139.5 | -176 | -170.4 | -73.7 | 0 | 0 | 0 | 109.8 | Y25 Y208 R212 N213 I219 F312 | Y25-D210 VanDerWaalsContact CE1-O 3.29Å; Y25-D210 WeakPolarHBondContact CE1-O 3.5Å; Y208-D210 HydrophobicContact CD1-CB 3.79Å; Y208-D210 HydrophobicContact CE1-CB 3.92Å; Y208-D210 WeakPolarHBondContact CE1-OD2 3.27Å; Y208-D210 PolarHBondContact O-N 3.34Å; D210-R212 PolarHBondContact O-N 3.41Å; D210-R212 WeakPolarHBondContact OD1-CB 3.36Å; D210-R212 WeakPolarHBondContact OD1-CG 3.19Å; D210-R212 IonicContact OD1-CZ 2.84Å; D210-R212 PolarHBondContact OD1-N 3.36Å; D210-R212 IonicContact OD1-NE 2.83Å; D210-R212 PolarHBondContact OD1-NE 2.8Å; D210-R212 IonicContact OD1-NH2 3.47Å; D210-R212 IonicContact OD2-CZ 2.7Å; D210-R212 IonicContact OD2-NE 3.57Å; D210-R212 IonicContact OD2-NH2 3.44Å; D210-R212 PolarHBondContact OD2-NH2 3.14Å; D210-N213 PolarHBondContact N-ND2 3.49Å; D210-N213 VanDerWaalsContact N-ND2 3.16Å; D210-N213 VanDerWaalsContact O-CB 3.25Å; D210-N213 WeakPolarHBondContact O-CB 3.2Å; D210-N213 VanDerWaalsContact O-CG 3.25Å; D210-N213 PolarHBondContact O-N 3.14Å; D210-N213 PolarHBondContact O-ND2 3.1Å; D210-I219 HydrophobicContact CB-CD1 3.6Å; D210-I219 WeakPolarHBondContact OD2-CD1 3.36Å; D210-F312 WeakPolarHBondContact OD2-CE2 2.81Å | ||
| 211 | E | 84.7 | Confident | 86.7 | Confident | 17 Ų | 17 | 21.7 Ų | 21.7 | 8% | 0.079 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14.5 | -179.7 | -70.1 | -58.4 | 137.3 | 0 | 0 | 114 | Y25 M26 P30 R37 | Y25-E211 WeakPolarHBondContact CA-OE2 3.3Å; M26-E211 HydrophobicContact CG-CG 4.4Å; M26-E211 PolarHBondContact N-OE2 3.36Å; P30-E211 WeakPolarHBondContact CD-O 3.37Å; P30-E211 HydrophobicContact CG-CB 3.45Å; P30-E211 VanDerWaalsContact CG-CB 3.45Å; P30-E211 WeakPolarHBondContact CG-O 3.38Å; R37-E211 PolarHBondContact NH2-O 3.5Å |
| 212 | R | 90.8 | Very high | 86.8 | Confident | 43 Ų | 43 | 17 Ų | 17 | 16% | 0.162 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -12 | 173.9 | -64.3 | 169.2 | -69.1 | -171.2 | -3.9 | 113.6 | Y29 P30 L119 D210 T214 | Y29-R212 WeakPolarHBondContact CE2-O 3.34Å; Y29-R212 VanDerWaalsContact OH-C 3.32Å; Y29-R212 WeakPolarHBondContact OH-CA 3.32Å; Y29-R212 WeakPolarHBondContact OH-CB 3.37Å; Y29-R212 PolarHBondContact OH-O 3.17Å; P30-R212 HydrophobicContact CB-CG 4.35Å; P30-R212 HydrophobicContact CG-CG 4.21Å; L119-R212 HydrophobicContact CD2-CB 3.86Å; L119-R212 HydrophobicContact CG-CB 4.15Å; D210-R212 PolarHBondContact O-N 3.41Å; D210-R212 WeakPolarHBondContact OD1-CB 3.36Å; D210-R212 WeakPolarHBondContact OD1-CG 3.19Å; D210-R212 IonicContact OD1-CZ 2.84Å; D210-R212 PolarHBondContact OD1-N 3.36Å; D210-R212 IonicContact OD1-NE 2.83Å; D210-R212 PolarHBondContact OD1-NE 2.8Å; D210-R212 IonicContact OD1-NH2 3.47Å; D210-R212 IonicContact OD2-CZ 2.7Å; D210-R212 IonicContact OD2-NE 3.57Å; D210-R212 IonicContact OD2-NH2 3.44Å; D210-R212 PolarHBondContact OD2-NH2 3.14Å; R212-T214 PolarHBondContact O-N 3.13Å |
| 213 | N | 92.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -62.5 | 137.6 | 178.4 | -67.4 | -21.3 | 0 | 0 | 0 | 110.5 | Y25 R37 Y207 Y208 D210 A217 W218 I219 | Y25-N213 HydrophobicContact CE1-CB 3.99Å; Y25-N213 VanDerWaalsContact OH-CB 3.3Å; Y25-N213 WeakPolarHBondContact OH-CB 3.37Å; R37-N213 PolarHBondContact NH1-O 3.23Å; R37-N213 PolarHBondContact NH2-O 2.91Å; Y207-N213 PolarHBondContact OH-ND2 2.99Å; Y207-N213 VanDerWaalsContact OH-ND2 3.07Å; Y208-N213 PolarHBondContact O-ND2 3.24Å; D210-N213 PolarHBondContact N-ND2 3.49Å; D210-N213 VanDerWaalsContact N-ND2 3.16Å; D210-N213 VanDerWaalsContact O-CB 3.25Å; D210-N213 WeakPolarHBondContact O-CB 3.2Å; D210-N213 VanDerWaalsContact O-CG 3.25Å; D210-N213 PolarHBondContact O-N 3.14Å; D210-N213 PolarHBondContact O-ND2 3.1Å; N213-A217 WeakPolarHBondContact CA-O 3.3Å; N213-W218 HydrophobicContact CB-CB 4.47Å; N213-W218 VanDerWaalsContact OD1-CA 3.25Å; N213-W218 WeakPolarHBondContact OD1-CA 3.25Å; N213-I219 PolarHBondContact OD1-N 3.32Å | ||
| 214 | T | 96 | Very high | 87.2 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -123.6 | -175.7 | 176.8 | 73.5 | 0 | 0 | 0 | 0 | 109.9 | Y29 N106 T111 I113 G115 R212 N216 A217 | Y29-T214 HydrophobicContact CE2-CG2 3.77Å; N106-T214 WeakPolarHBondContact CB-O 3.37Å; N106-T214 PolarHBondContact ND2-O 2.92Å; T111-T214 VanDerWaalsContact CG2-C 3.43Å; T111-T214 VanDerWaalsContact CG2-O 3.28Å; T111-T214 WeakPolarHBondContact CG2-O 2.97Å; T111-T214 WeakPolarHBondContact OG1-CA 3.46Å; I113-T214 HydrophobicContact CG2-CG2 3.71Å; G115-T214 VanDerWaalsContact O-CB 3.3Å; G115-T214 WeakPolarHBondContact O-CB 3.43Å; G115-T214 PolarHBondContact O-OG1 2.93Å; R212-T214 PolarHBondContact O-N 3.13Å; T214-N216 PolarHBondContact O-N 2.82Å; T214-N216 PolarHBondContact OG1-N 2.84Å; T214-A217 PolarHBondContact N-O 3.36Å; T214-A217 PolarHBondContact OG1-N 2.84Å; T214-A217 PolarHBondContact OG1-O 2.86Å | ||
| 215 | D | 96.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.016 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -65.4 | -22.7 | 171.9 | -64.5 | -10.5 | 0 | 0 | 0 | 112.3 | W47 Y53 P104 L105 N106 T111 I113 | W47-D215 HydrophobicContact CH2-CB 3.83Å; W47-D215 HydrophobicContact CZ2-CB 3.85Å; Y53-D215 WeakPolarHBondContact CE1-OD2 3.49Å; Y53-D215 PolarHBondContact OH-OD1 2.57Å; Y53-D215 PolarHBondContact OH-OD2 2.83Å; Y53-D215 VanDerWaalsContact OH-OD2 3.07Å; P104-D215 VanDerWaalsContact O-O 3.13Å; L105-D215 CarbonylContact C-O 3.54Å; L105-D215 WeakPolarHBondContact CA-O 3.44Å; N106-D215 PolarHBondContact N-O 3.34Å; T111-D215 WeakPolarHBondContact CA-OD1 3.25Å; T111-D215 WeakPolarHBondContact CB-OD1 3.28Å; T111-D215 PolarHBondContact N-OD1 2.64Å; T111-D215 PolarHBondContact OG1-N 3.24Å; T111-D215 PolarHBondContact OG1-OD1 3.47Å; I113-D215 VanDerWaalsContact O-CB 3.32Å; I113-D215 WeakPolarHBondContact O-CB 3.33Å; I113-D215 PolarHBondContact O-N 3.44Å |
| 216 | N | 97.4 | Very high | 88 | Confident | 6 Ų | 6 | 8 Ų | 8 | 3% | 0.032 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -126.4 | 0.8 | -169.3 | -42 | 124.9 | 0 | 0 | 0 | 114.4 | D103 P104 R114 G115 Y122 G123 T214 | D103-N216 HydrophobicContact CB-CB 4.49Å; D103-N216 WeakPolarHBondContact CB-ND2 3.37Å; P104-N216 HydrophobicContact CG-CB 4.42Å; P104-N216 VanDerWaalsContact CG-O 3.28Å; P104-N216 WeakPolarHBondContact CG-O 3.26Å; P104-N216 VanDerWaalsContact O-CA 3.26Å; P104-N216 WeakPolarHBondContact O-CA 3.26Å; P104-N216 PolarHBondContact O-ND2 3Å; R114-N216 WeakPolarHBondContact CA-OD1 3.25Å; R114-N216 WeakPolarHBondContact CB-OD1 3.49Å; G115-N216 PolarHBondContact N-OD1 3.05Å; Y122-N216 HydrophobicContact CD1-CB 3.84Å; Y122-N216 HydrophobicContact CE1-CB 4.08Å; G123-N216 PolarHBondContact N-O 2.84Å; T214-N216 PolarHBondContact O-N 2.82Å; T214-N216 PolarHBondContact OG1-N 2.84Å |
| 217 | A | 97.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 136.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | R116 L119 R121 G123 N213 T214 | R116-A217 HydrophobicContact CB-CB 4.42Å; R116-A217 HydrophobicContact CG-CB 4.1Å; L119-A217 HydrophobicContact CB-CB 4.13Å; L119-A217 HydrophobicContact CD1-CB 3.71Å; L119-A217 HydrophobicContact CG-CB 4.46Å; R121-A217 WeakPolarHBondContact O-CB 3.47Å; G123-A217 VanDerWaalsContact O-CA 3.31Å; G123-A217 WeakPolarHBondContact O-CA 3.11Å; N213-A217 WeakPolarHBondContact CA-O 3.3Å; T214-A217 PolarHBondContact N-O 3.36Å; T214-A217 PolarHBondContact OG1-N 2.84Å; T214-A217 PolarHBondContact OG1-O 2.86Å |
| 218 | W | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 159.7 | 179.5 | 60.4 | 90.5 | 0 | 0 | 0 | 111.8 | Y96 P104 N106 P107 G123 P124 N125 Y207 N213 E220 | Y96-W218 AromaticContact CD1-CH2 3.97Å; Y96-W218 HydrophobicContact CD1-CH2 3.97Å; Y96-W218 AromaticContact CD1-CZ2 3.7Å; Y96-W218 HydrophobicContact CD1-CZ2 3.7Å; Y96-W218 AromaticContact CD2-CH2 3.87Å; Y96-W218 HydrophobicContact CD2-CH2 3.87Å; Y96-W218 HydrophobicContact CD2-CZ2 4.43Å; Y96-W218 HydrophobicContact CE1-CH2 4.45Å; Y96-W218 HydrophobicContact CE1-CZ2 4.22Å; Y96-W218 HydrophobicContact CE2-CH2 4.37Å; Y96-W218 AromaticContact CG-CH2 3.66Å; Y96-W218 HydrophobicContact CG-CH2 3.66Å; Y96-W218 AromaticContact CG-CZ2 3.82Å; Y96-W218 HydrophobicContact CG-CZ2 3.82Å; P104-W218 HydrophobicContact CB-CH2 4.19Å; P104-W218 HydrophobicContact CB-CZ3 4.2Å; N106-W218 HydrophobicContact CB-CE3 3.94Å; N106-W218 HydrophobicContact CB-CZ3 4.35Å; P107-W218 VanDerWaalsContact CD-CZ2 3.43Å; P107-W218 HydrophobicContact CG-CH2 4.19Å; P107-W218 HydrophobicContact CG-CZ2 3.77Å; G123-W218 PolarHBondContact O-N 3.32Å; P124-W218 CarbonylContact C-O 3.58Å; P124-W218 WeakPolarHBondContact CA-O 3.29Å; P124-W218 HydrophobicContact CB-CZ2 4.47Å; N125-W218 PolarHBondContact N-O 2.88Å; Y207-W218 HydrophobicContact CD2-CB 4.21Å; Y207-W218 AromaticContact CD2-CD1 3.57Å; Y207-W218 HydrophobicContact CD2-CG 4.01Å; Y207-W218 HydrophobicContact CE2-CB 3.46Å; Y207-W218 VanDerWaalsContact CE2-CB 3.46Å; Y207-W218 AromaticContact CE2-CD1 3.69Å; Y207-W218 AromaticContact CE2-CG 3.63Å; Y207-W218 HydrophobicContact CE2-CG 3.63Å; N213-W218 HydrophobicContact CB-CB 4.47Å; N213-W218 VanDerWaalsContact OD1-CA 3.25Å; N213-W218 WeakPolarHBondContact OD1-CA 3.25Å; W218-E220 PolarHBondContact NE1-OE1 3.39Å |
| 219 | I | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.8 | 179.5 | -62.6 | 167.1 | 0 | 0 | 0 | 110.2 | L119 N125 R127 F159 Y208 D210 N213 | L119-I219 HydrophobicContact CD1-CG1 4.16Å; L119-I219 HydrophobicContact CD2-CD1 3.75Å; L119-I219 HydrophobicContact CD2-CG1 3.74Å; N125-I219 HydrophobicContact CB-CG1 4.42Å; N125-I219 WeakPolarHBondContact O-CA 2.91Å; R127-I219 HydrophobicContact CB-CG2 3.98Å; F159-I219 HydrophobicContact CE1-CD1 4.17Å; F159-I219 HydrophobicContact CE1-CG1 3.93Å; F159-I219 HydrophobicContact CE1-CG2 4.14Å; F159-I219 HydrophobicContact CZ-CD1 3.74Å; F159-I219 HydrophobicContact CZ-CG1 4Å; Y208-I219 HydrophobicContact CD1-CB 4.34Å; Y208-I219 HydrophobicContact CD1-CG2 3.97Å; Y208-I219 HydrophobicContact CG-CG2 4.35Å; Y208-I219 PolarHBondContact N-O 2.81Å; D210-I219 HydrophobicContact CB-CD1 3.6Å; D210-I219 WeakPolarHBondContact OD2-CD1 3.36Å; N213-I219 PolarHBondContact OD1-N 3.32Å |
| 220 | E | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.9 | 166.4 | -61.5 | -163.9 | -150.7 | 0 | 0 | 109.9 | S90 A91 T92 P124 N125 H126 R127 G206 W218 | S90-E220 WeakPolarHBondContact CA-OE1 3.5Å; S90-E220 WeakPolarHBondContact CB-OE1 3.47Å; S90-E220 PolarHBondContact OG-OE1 3.02Å; A91-E220 VanDerWaalsContact CA-OE2 3.27Å; A91-E220 WeakPolarHBondContact CA-OE2 3.49Å; A91-E220 VanDerWaalsContact CB-OE2 3.22Å; A91-E220 WeakPolarHBondContact CB-OE2 3.47Å; A91-E220 PolarHBondContact N-OE2 2.84Å; T92-E220 WeakPolarHBondContact CB-OE2 3.34Å; T92-E220 PolarHBondContact N-OE2 2.82Å; T92-E220 PolarHBondContact OG1-OE2 2.88Å; P124-E220 HydrophobicContact CB-CG 4.26Å; N125-E220 PolarHBondContact O-N 2.67Å; H126-E220 WeakPolarHBondContact CA-O 3.37Å; R127-E220 PolarHBondContact N-O 3Å; G206-E220 CarbonylContact O-C 3.57Å; G206-E220 VanDerWaalsContact O-CA 3.25Å; G206-E220 WeakPolarHBondContact O-CA 3.38Å; W218-E220 PolarHBondContact NE1-OE1 3.39Å |
| 221 | T | 83.6 | Confident | 90.2 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.5 | -174 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | R127 V129 Y204 R205 G206 Y208 | R127-T221 CarbonylContact O-C 3.56Å; R127-T221 VanDerWaalsContact O-CA 3.3Å; R127-T221 WeakPolarHBondContact O-CA 3.37Å; V129-T221 HydrophobicContact CB-CG2 4.34Å; V129-T221 HydrophobicContact CG2-CG2 3.62Å; Y204-T221 HydrophobicContact CD1-CG2 4.42Å; R205-T221 VanDerWaalsContact CA-O 3.24Å; R205-T221 WeakPolarHBondContact CA-O 3.32Å; G206-T221 PolarHBondContact N-O 2.93Å; G206-T221 PolarHBondContact O-N 3.14Å; Y208-T221 WeakPolarHBondContact CB-OG1 3.18Å |
| 222 | W | 88.6 | Confident | 90.6 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.9 | 166.8 | -64.7 | 72.9 | 0 | 0 | 0 | 108.1 | A91 H126 R127 V128 V129 P163 K164 L202 R205 Y224 | A91-W222 HydrophobicContact CB-CZ2 3.74Å; H126-W222 AromaticContact ND1-NE1 3.72Å; R127-W222 PolarHBondContact O-N 2.89Å; V128-W222 WeakPolarHBondContact CA-O 3.21Å; V128-W222 HydrophobicContact CG2-CB 4.23Å; V129-W222 PolarHBondContact N-O 2.7Å; P163-W222 HydrophobicContact CB-CD2 4.08Å; P163-W222 HydrophobicContact CB-CG 3.97Å; P163-W222 HydrophobicContact CB-CZ2 4.34Å; P163-W222 HydrophobicContact CG-CZ2 4.09Å; K164-W222 HydrophobicContact CD-CH2 4.37Å; K164-W222 HydrophobicContact CG-CH2 3.7Å; K164-W222 HydrophobicContact CG-CZ2 4.24Å; K164-W222 HydrophobicContact CG-CZ3 4.2Å; L202-W222 HydrophobicContact CD1-CB 4.42Å; L202-W222 HydrophobicContact CD1-CE3 3.9Å; L202-W222 HydrophobicContact CD2-CE3 4.16Å; L202-W222 HydrophobicContact CD2-CZ3 4.18Å; R205-W222 HydrophobicContact CG-CD2 3.79Å; R205-W222 HydrophobicContact CG-CE3 3.95Å; R205-W222 HydrophobicContact CG-CG 4.3Å; R205-W222 HydrophobicContact CG-CH2 4.37Å; R205-W222 HydrophobicContact CG-CZ2 4.2Å; R205-W222 HydrophobicContact CG-CZ3 4.25Å; W222-Y224 HydrophobicContact CB-CE2 3.99Å |
| 223 | L | 82.6 | Confident | 90.8 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 113.8 | -178.5 | -173 | 64.2 | 0 | 0 | 0 | 109.9 | V129 I131 V203 Y204 | V129-L223 HydrophobicContact CB-CD1 3.53Å; V129-L223 HydrophobicContact CG1-CD1 3.44Å; V129-L223 VanDerWaalsContact CG1-CD1 3.44Å; V129-L223 WeakPolarHBondContact O-CA 3.3Å; I131-L223 HydrophobicContact CD1-CD1 3.55Å; I131-L223 HydrophobicContact CD1-CD2 4.04Å; I131-L223 HydrophobicContact CD1-CG 4.05Å; I131-L223 HydrophobicContact CG1-CD1 3.99Å; V203-L223 HydrophobicContact CB-CD2 4.48Å; V203-L223 HydrophobicContact CG1-CD2 4.43Å; V203-L223 PolarHBondContact N-O 3.03Å; Y204-L223 HydrophobicContact CD1-CB 4.42Å; Y204-L223 PolarHBondContact N-O 3.33Å; Y204-L223 PolarHBondContact O-N 2.91Å |
| 224 | Y | 84.9 | Confident | 90.9 | Very high | 18 Ų | 18 | 25.6 Ų | 25.6 | 7% | 0.071 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.8 | 173.2 | -64 | -80.3 | 0 | 0 | 0 | 111.2 | V128 V129 V130 I131 K200 R201 L202 W222 | V128-Y224 HydrophobicContact CG1-CD2 3.85Å; V128-Y224 HydrophobicContact CG1-CE2 4.04Å; V129-Y224 PolarHBondContact O-N 3.43Å; V130-Y224 CarbonylContact C-O 3.49Å; V130-Y224 WeakPolarHBondContact CA-O 3.43Å; I131-Y224 PolarHBondContact N-O 2.81Å; K200-Y224 HydrophobicContact CD-CD1 3.84Å; K200-Y224 HydrophobicContact CD-CE1 4.29Å; K200-Y224 HydrophobicContact CD-CG 4.01Å; K200-Y224 HydrophobicContact CG-CD1 3.94Å; K200-Y224 HydrophobicContact CG-CG 4.44Å; K200-Y224 VanDerWaalsContact NZ-CE2 3.28Å; R201-Y224 CarbonylContact O-C 3.48Å; R201-Y224 VanDerWaalsContact O-CA 3.27Å; R201-Y224 WeakPolarHBondContact O-CA 3.46Å; L202-Y224 HydrophobicContact CB-CD1 4.06Å; L202-Y224 HydrophobicContact CB-CE1 3.8Å; L202-Y224 HydrophobicContact CD1-CD1 4.14Å; L202-Y224 HydrophobicContact CD1-CE1 3.74Å; L202-Y224 HydrophobicContact CD1-CE2 4.44Å; L202-Y224 HydrophobicContact CG-CE1 4.34Å; W222-Y224 HydrophobicContact CB-CE2 3.99Å |
| 225 | E | 84.5 | Confident | 90.8 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.8 | 172.5 | 179.6 | -172.1 | -137.9 | 0 | 0 | 110 | I131 K200 R201 V203 K227 | I131-E225 CarbonylContact O-C 3.53Å; I131-E225 WeakPolarHBondContact O-CA 3.31Å; K200-E225 CarbonylContact C-O 3.55Å; K200-E225 VanDerWaalsContact CA-O 3.31Å; K200-E225 WeakPolarHBondContact CA-O 3.17Å; R201-E225 IonicContact CZ-OE2 3.64Å; R201-E225 PolarHBondContact N-O 3.36Å; R201-E225 IonicContact NE-OE2 3.57Å; R201-E225 PolarHBondContact NE-OE2 3.16Å; R201-E225 IonicContact NH2-OE2 2.7Å; R201-E225 PolarHBondContact NH2-OE2 3.22Å; R201-E225 PolarHBondContact O-N 2.88Å; V203-E225 HydrophobicContact CG2-CB 3.52Å; E225-K227 HydrophobicContact CG-CG 3.95Å; E225-K227 WeakPolarHBondContact OE1-CE 3.27Å; E225-K227 IonicContact OE1-NZ 2.73Å; E225-K227 WeakPolarHBondContact OE2-CE 3.39Å; E225-K227 IonicContact OE2-NZ 3.36Å |
| 226 | I | 89.1 | Confident | 90.8 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 104.4 | 172.3 | -54.9 | 176.3 | 0 | 0 | 0 | 107.6 | V130 I131 I132 S133 L168 A196 K200 L234 | V130-I226 HydrophobicContact CG1-CD1 3.81Å; V130-I226 HydrophobicContact CG1-CG1 4.17Å; I131-I226 PolarHBondContact O-N 3.17Å; I132-I226 WeakPolarHBondContact CA-O 3.34Å; I132-I226 HydrophobicContact CG1-CB 4.46Å; S133-I226 PolarHBondContact N-O 2.94Å; S133-I226 VanDerWaalsContact N-O 3.09Å; L168-I226 HydrophobicContact CD1-CD1 4.1Å; A196-I226 HydrophobicContact CB-CD1 4.28Å; A196-I226 HydrophobicContact CB-CG2 4.03Å; K200-I226 HydrophobicContact CB-CD1 4.26Å; K200-I226 HydrophobicContact CB-CG1 3.76Å; I226-L234 HydrophobicContact CB-CD1 4.5Å; I226-L234 HydrophobicContact CD1-CD1 4.29Å; I226-L234 HydrophobicContact CG2-CD1 3.87Å |
| 227 | K | 87.3 | Confident | 90.7 | Very high | 80 Ų | 80 | 27.9 Ų | 27.9 | 35% | 0.348 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.3 | 175.3 | -59.5 | -173.1 | 178.9 | -177 | 0 | 110.4 | E225 D291 | E225-K227 HydrophobicContact CG-CG 3.95Å; E225-K227 WeakPolarHBondContact OE1-CE 3.27Å; E225-K227 IonicContact OE1-NZ 2.73Å; E225-K227 WeakPolarHBondContact OE2-CE 3.39Å; E225-K227 IonicContact OE2-NZ 3.36Å; K227-D291 WeakPolarHBondContact CE-OD1 3.28Å; K227-D291 IonicContact NZ-OD1 3.1Å; K227-D291 PolarHBondContact NZ-OD1 2.94Å; K227-D291 IonicContact NZ-OD2 3.82Å; K227-D291 PolarHBondContact NZ-OD2 3.08Å |
| 228 | D | 91.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 68.9 | 168.6 | -173.6 | 25.7 | 0 | 0 | 0 | 110.3 | S133 R134 D230 S231 K232 A233 L234 G235 | S133-D228 PolarHBondContact O-N 3.42Å; R134-D228 WeakPolarHBondContact CA-O 3.46Å; R134-D228 WeakPolarHBondContact CB-O 3.45Å; D228-D230 PolarHBondContact O-N 2.79Å; D228-S231 PolarHBondContact O-N 2.99Å; D228-K232 PolarHBondContact OD1-N 3.07Å; D228-K232 PolarHBondContact OD2-N 2.92Å; D228-A233 VanDerWaalsContact OD2-C 3.25Å; D228-A233 VanDerWaalsContact OD2-CA 3.3Å; D228-A233 WeakPolarHBondContact OD2-CA 3.44Å; D228-A233 PolarHBondContact OD2-N 3.18Å; D228-L234 PolarHBondContact OD2-N 3.2Å; D228-L234 VanDerWaalsContact OD2-N 3.16Å; D228-G235 WeakPolarHBondContact OD2-CA 3.21Å; D228-G235 PolarHBondContact OD2-N 3.37Å |
| 229 | P | 87.4 | Confident | 90.4 | Very high | 63 Ų | 63 | 29.1 Ų | 29.1 | 41% | 0.409 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.8 | -170.4 | 25.6 | -35.1 | 0 | 0 | 0 | 113.4 | N135 S231 | N135-P229 VanDerWaalsContact CB-O 3.28Å; N135-P229 WeakPolarHBondContact CB-O 3.34Å; N135-P229 PolarHBondContact N-O 2.82Å; N135-P229 VanDerWaalsContact ND2-CB 3.35Å; N135-P229 WeakPolarHBondContact ND2-CB 3.35Å; P229-S231 VanDerWaalsContact C-N 3.34Å |
| 230 | D | 89.7 | Confident | 89.9 | Confident | 106 Ų | 106 | 37.1 Ų | 37.1 | 57% | 0.567 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -2.4 | -179.1 | -66.3 | -6.7 | 0 | 0 | 0 | 113 | D228 K232 | D228-D230 PolarHBondContact O-N 2.79Å; D230-K232 VanDerWaalsContact C-N 3.31Å; D230-K232 HydrophobicContact CB-CB 4.46Å; D230-K232 HydrophobicContact CB-CD 3.76Å; D230-K232 HydrophobicContact CB-CG 3.88Å; D230-K232 PolarHBondContact O-N 2.93Å; D230-K232 IonicContact OD2-NZ 2.6Å; D230-K232 PolarHBondContact OD2-NZ 2.86Å |
| 231 | S | 91 | Very high | 89.4 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 53.1 | 43.7 | -173.7 | -56.1 | 0 | 0 | 0 | 0 | 113.4 | N135 D228 P229 L236 | N135-S231 PolarHBondContact O-OG 3.2Å; D228-S231 PolarHBondContact O-N 2.99Å; P229-S231 VanDerWaalsContact C-N 3.34Å; S231-L236 WeakPolarHBondContact O-CD2 3.21Å |
| 232 | K | 92.8 | Very high | 89.5 | Confident | 148 Ų | 148 | 46.6 Ų | 46.6 | 64% | 0.643 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -108.9 | -1 | -176.8 | -70.9 | 175.3 | -174.2 | 158.9 | 0 | 113.9 | D228 D230 | D228-K232 PolarHBondContact OD1-N 3.07Å; D228-K232 PolarHBondContact OD2-N 2.92Å; D230-K232 VanDerWaalsContact C-N 3.31Å; D230-K232 HydrophobicContact CB-CB 4.46Å; D230-K232 HydrophobicContact CB-CD 3.76Å; D230-K232 HydrophobicContact CB-CG 3.88Å; D230-K232 PolarHBondContact O-N 2.93Å; D230-K232 IonicContact OD2-NZ 2.6Å; D230-K232 PolarHBondContact OD2-NZ 2.86Å |
| 233 | A | 95.3 | Very high | 89.7 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -134.8 | -108.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I192 D228 G235 L236 | I192-A233 HydrophobicContact CG2-CB 4.1Å; D228-A233 VanDerWaalsContact OD2-C 3.25Å; D228-A233 VanDerWaalsContact OD2-CA 3.3Å; D228-A233 WeakPolarHBondContact OD2-CA 3.44Å; D228-A233 PolarHBondContact OD2-N 3.18Å; A233-G235 PolarHBondContact O-N 2.99Å; A233-L236 VanDerWaalsContact O-CB 3.24Å; A233-L236 WeakPolarHBondContact O-CB 3.29Å; A233-L236 WeakPolarHBondContact O-CG 3.18Å; A233-L236 PolarHBondContact O-N 3.12Å |
| 234 | L | 95.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -65.4 | -23.9 | 178.4 | -63.7 | -173.3 | 0 | 0 | 0 | 112.7 | I132 I176 I192 A196 I226 D228 L236 M237 | I132-L234 HydrophobicContact CD1-CD1 3.88Å; I132-L234 HydrophobicContact CG1-CD1 4Å; I132-L234 HydrophobicContact CG2-CB 3.85Å; I132-L234 HydrophobicContact CG2-CD1 3.98Å; I176-L234 HydrophobicContact CD1-CD2 4.23Å; I176-L234 HydrophobicContact CG1-CD2 4.45Å; I176-L234 HydrophobicContact CG2-CD2 3.65Å; I192-L234 HydrophobicContact CG2-CD2 3.74Å; I192-L234 HydrophobicContact CG2-CG 4.41Å; A196-L234 HydrophobicContact CB-CD1 3.62Å; A196-L234 HydrophobicContact CB-CD2 4.24Å; A196-L234 HydrophobicContact CB-CG 3.86Å; I226-L234 HydrophobicContact CB-CD1 4.5Å; I226-L234 HydrophobicContact CD1-CD1 4.29Å; I226-L234 HydrophobicContact CG2-CD1 3.87Å; D228-L234 PolarHBondContact OD2-N 3.2Å; D228-L234 VanDerWaalsContact OD2-N 3.16Å; L234-L236 PolarHBondContact O-N 2.81Å; L234-L236 VanDerWaalsContact O-N 3.16Å; L234-M237 HydrophobicContact CB-CE 4.33Å; L234-M237 WeakPolarHBondContact O-CB 3.28Å; L234-M237 VanDerWaalsContact O-CE 3.32Å; L234-M237 WeakPolarHBondContact O-CE 3.13Å; L234-M237 VanDerWaalsContact O-CG 3.29Å; L234-M237 WeakPolarHBondContact O-CG 3.1Å; L234-M237 PolarHBondContact O-N 2.81Å; L234-M237 VanDerWaalsContact O-N 3.17Å |
| 235 | G | 93.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -65.8 | -9.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | R134 D228 A233 M237 | R134-G235 PolarHBondContact NH1-O 3.35Å; D228-G235 WeakPolarHBondContact OD2-CA 3.21Å; D228-G235 PolarHBondContact OD2-N 3.37Å; A233-G235 PolarHBondContact O-N 2.99Å; G235-M237 VanDerWaalsContact C-N 3.25Å; G235-M237 PolarHBondContact O-N 3.15Å |
| 236 | L | 95.1 | Very high | 90.7 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -76.8 | -10.5 | 172.8 | -62.6 | 171.5 | 0 | 0 | 0 | 113.4 | L180 Y184 I192 S231 A233 L234 | L180-L236 HydrophobicContact CD2-CB 3.97Å; Y184-L236 HydrophobicContact CE2-CB 4.13Å; Y184-L236 HydrophobicContact CE2-CD1 4.17Å; I192-L236 HydrophobicContact CD1-CD1 4.21Å; S231-L236 WeakPolarHBondContact O-CD2 3.21Å; A233-L236 VanDerWaalsContact O-CB 3.24Å; A233-L236 WeakPolarHBondContact O-CB 3.29Å; A233-L236 WeakPolarHBondContact O-CG 3.18Å; A233-L236 PolarHBondContact O-N 3.12Å; L234-L236 PolarHBondContact O-N 2.81Å; L234-L236 VanDerWaalsContact O-N 3.16Å |
| 237 | M | 95.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | trans | -64.4 | 137.8 | 178.8 | -66.7 | -176.7 | -59.7 | 0 | 0 | 111.2 | I132 R134 V142 I176 D179 L180 L234 G235 L239 W249 | I132-M237 HydrophobicContact CD1-CE 4.3Å; I132-M237 HydrophobicContact CG2-CE 4.49Å; R134-M237 PolarHBondContact NH1-O 3.14Å; V142-M237 HydrophobicContact CG2-CE 4.02Å; I176-M237 HydrophobicContact CB-SD 4.1Å; I176-M237 HydrophobicContact CG1-CE 4.37Å; I176-M237 HydrophobicContact CG1-SD 3.55Å; I176-M237 VanDerWaalsContact CG1-SD 3.55Å; I176-M237 HydrophobicContact CG2-SD 4.17Å; D179-M237 WeakPolarHBondContact OD2-CA 3.48Å; D179-M237 VanDerWaalsContact OD2-CB 3.26Å; D179-M237 WeakPolarHBondContact OD2-CB 3.13Å; L180-M237 HydrophobicContact CD1-CG 4.35Å; L180-M237 HydrophobicContact CD2-CB 4.42Å; L180-M237 HydrophobicContact CD2-CG 3.73Å; L180-M237 HydrophobicContact CG-CG 3.87Å; L234-M237 HydrophobicContact CB-CE 4.33Å; L234-M237 WeakPolarHBondContact O-CB 3.28Å; L234-M237 VanDerWaalsContact O-CE 3.32Å; L234-M237 WeakPolarHBondContact O-CE 3.13Å; L234-M237 VanDerWaalsContact O-CG 3.29Å; L234-M237 WeakPolarHBondContact O-CG 3.1Å; L234-M237 PolarHBondContact O-N 2.81Å; L234-M237 VanDerWaalsContact O-N 3.17Å; G235-M237 VanDerWaalsContact C-N 3.25Å; G235-M237 PolarHBondContact O-N 3.15Å; M237-L239 HydrophobicContact CB-CD2 4.28Å; M237-L239 HydrophobicContact CB-CG 4.02Å; M237-L239 HydrophobicContact CE-CD1 4.26Å; M237-L239 HydrophobicContact SD-CD2 4.17Å; M237-W249 HydrophobicContact CB-CZ2 4.46Å; M237-W249 HydrophobicContact CE-CZ2 3.98Å; M237-W249 PolarHBondContact O-NE1 2.76Å | ||
| 238 | S | 93.6 | Very high | 91.1 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | trans | -77.2 | -53.1 | 170.4 | 19.6 | 0 | 0 | 0 | 0 | 111.1 | D179 K183 E240 | D179-S238 PolarHBondContact OD1-OG 3.17Å; D179-S238 PolarHBondContact OD2-N 3.33Å; D179-S238 PolarHBondContact OD2-OG 3.1Å; K183-S238 VanDerWaalsContact NZ-CB 3.29Å; K183-S238 PolarHBondContact NZ-OG 3.38Å; S238-E240 PolarHBondContact O-N 2.88Å | ||
| 239 | L | 93.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | trans | 53.2 | 30.6 | -169.5 | -53.4 | 179.6 | 0 | 0 | 0 | 113.2 | V142 V175 D179 M237 L247 W249 | V142-L239 HydrophobicContact CB-CD1 4.48Å; V142-L239 HydrophobicContact CG1-CD1 3.93Å; V142-L239 HydrophobicContact CG2-CD1 3.83Å; V175-L239 HydrophobicContact CG1-CD2 4.01Å; D179-L239 HydrophobicContact CB-CD2 4.49Å; D179-L239 PolarHBondContact OD1-N 3.5Å; M237-L239 HydrophobicContact CB-CD2 4.28Å; M237-L239 HydrophobicContact CB-CG 4.02Å; M237-L239 HydrophobicContact CE-CD1 4.26Å; M237-L239 HydrophobicContact SD-CD2 4.17Å; L239-L247 HydrophobicContact CD1-CB 4.38Å; L239-W249 HydrophobicContact CD1-CG 4.47Å | ||
| 240 | E | 81.9 | Confident | 90.9 | Very high | 169 Ų | 169 | 53.3 Ų | 53.3 | 79% | 0.79 | 29% | 0.291 | S | S | * | . | trans | -88.1 | -29.6 | 179.7 | -69 | 175.6 | 178.5 | 0 | 0 | 111.7 | S238 | S238-E240 PolarHBondContact O-N 2.88Š| ||
| 241 | D | 79.4 | Confident | 90.6 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -80.2 | 156.3 | 176.2 | -62.7 | -36.5 | 0 | 0 | 0 | 111.6 | K182 N243 | K182-D241 IonicContact NZ-OD2 3.89Å; K182-D241 PolarHBondContact NZ-OD2 3.02Å; D241-N243 PolarHBondContact O-N 3.28Å; D241-N243 PolarHBondContact O-ND2 3.27Å |
| 242 | S | 86.8 | Confident | 89.7 | Confident | 116 Ų | 116 | 53.5 Ų | 53.5 | 81% | 0.811 | 29% | 0.285 | S | S | * | . | trans | -53.8 | 127.1 | 164.2 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 243 | N | 92.3 | Very high | 88.7 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | trans | -128.8 | 158.6 | 176.3 | 63 | 85.7 | 0 | 0 | 0 | 109.7 | V175 D241 L245 N246 L247 | V175-N243 HydrophobicContact CG1-CB 3.97Å; V175-N243 HydrophobicContact CG2-CB 4.26Å; D241-N243 PolarHBondContact O-N 3.28Å; D241-N243 PolarHBondContact O-ND2 3.27Å; N243-L245 PolarHBondContact O-N 3.39Å; N243-L245 PolarHBondContact OD1-N 2.92Å; N243-N246 PolarHBondContact O-N 3.41Å; N243-N246 PolarHBondContact OD1-N 3.22Å; N243-L247 PolarHBondContact ND2-N 2.85Å; N243-L247 PolarHBondContact ND2-O 2.92Å; N243-L247 PolarHBondContact OD1-N 2.88Å | ||
| 244 | T | 91.1 | Very high | 87.3 | Confident | 106 Ų | 106 | 50.6 Ų | 50.6 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.3 | -172.5 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | V175 | V175-T244 WeakPolarHBondContact CG2-OG1 3.37Š|
| 245 | L | 89.8 | Confident | 86 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 4.2 | 178.1 | -67.6 | -179.1 | 0 | 0 | 0 | 113.3 | K144 P156 M171 L172 V175 N243 L247 | K144-L245 WeakPolarHBondContact CG-O 3.47Å; P156-L245 HydrophobicContact CB-CD1 4.43Å; M171-L245 HydrophobicContact CB-CD1 3.82Å; M171-L245 HydrophobicContact CB-CD2 3.94Å; M171-L245 HydrophobicContact CB-CG 4.09Å; L172-L245 HydrophobicContact CB-CD1 4.37Å; V175-L245 HydrophobicContact CG2-CB 4.23Å; V175-L245 HydrophobicContact CG2-CD1 4.13Å; V175-L245 HydrophobicContact CG2-CG 4.07Å; N243-L245 PolarHBondContact O-N 3.39Å; N243-L245 PolarHBondContact OD1-N 2.92Å; L245-L247 HydrophobicContact CB-CD1 3.84Å; L245-L247 HydrophobicContact CB-CD2 4.24Å; L245-L247 HydrophobicContact CB-CG 3.62Å; L245-L247 HydrophobicContact CD1-CD1 3.91Å; L245-L247 PolarHBondContact O-N 3.33Å |
| 246 | N | 91.9 | Very high | 84.8 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | trans | 49.9 | 38.5 | -175.4 | -162.4 | 22.7 | 0 | 0 | 0 | 113.3 | K144 S145 N243 | K144-N246 CarbonylContact C-O 3.57Å; K144-N246 WeakPolarHBondContact CA-O 3.33Å; S145-N246 PolarHBondContact N-O 3.06Å; S145-N246 PolarHBondContact O-ND2 3.01Å; S145-N246 PolarHBondContact OG-O 2.89Å; N243-N246 PolarHBondContact O-N 3.41Å; N243-N246 PolarHBondContact OD1-N 3.22Å | ||
| 247 | L | 91.6 | Very high | 83.2 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 143.2 | -177.6 | -63 | 175.2 | 0 | 0 | 0 | 111.3 | V142 K144 P156 L172 V175 L239 N243 L245 | V142-L247 HydrophobicContact CG1-CB 3.94Å; V142-L247 HydrophobicContact CG1-CD1 4Å; V142-L247 HydrophobicContact CG1-CD2 4.06Å; V142-L247 HydrophobicContact CG1-CG 4.21Å; K144-L247 HydrophobicContact CG-CD2 3.78Å; P156-L247 HydrophobicContact CB-CD1 4.38Å; P156-L247 HydrophobicContact CB-CD2 4.4Å; L172-L247 HydrophobicContact CD1-CD1 3.63Å; V175-L247 HydrophobicContact CG1-CD1 4.25Å; L239-L247 HydrophobicContact CD1-CB 4.38Å; N243-L247 PolarHBondContact ND2-N 2.85Å; N243-L247 PolarHBondContact ND2-O 2.92Å; N243-L247 PolarHBondContact OD1-N 2.88Å; L245-L247 HydrophobicContact CB-CD1 3.84Å; L245-L247 HydrophobicContact CB-CD2 4.24Å; L245-L247 HydrophobicContact CB-CG 3.62Å; L245-L247 HydrophobicContact CD1-CD1 3.91Å; L245-L247 PolarHBondContact O-N 3.33Å |
| 248 | T | 93.6 | Very high | 81.6 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.1 | 172.7 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | G143 S145 K250 | G143-T248 PolarHBondContact N-O 3.28Å; G143-T248 VanDerWaalsContact N-O 3.11Å; G143-T248 PolarHBondContact O-N 3.36Å; S145-T248 VanDerWaalsContact OG-CG2 3.26Å; S145-T248 WeakPolarHBondContact OG-CG2 3.44Å; T248-K250 HydrophobicContact CG2-CG 3.89Å |
| 249 | W | 90.7 | Very high | 80.4 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 11% | 0.106 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.8 | 167.6 | -72.3 | 105.3 | 0 | 0 | 0 | 110.1 | I132 R134 E140 V142 M237 L239 | I132-W249 HydrophobicContact CG2-CH2 3.96Å; R134-W249 HydrophobicContact CB-CH2 4.09Å; R134-W249 HydrophobicContact CB-CZ3 4.13Å; R134-W249 HydrophobicContact CG-CE3 4.04Å; R134-W249 HydrophobicContact CG-CH2 3.83Å; R134-W249 HydrophobicContact CG-CZ2 4.44Å; R134-W249 HydrophobicContact CG-CZ3 3.61Å; E140-W249 HydrophobicContact CB-CE3 3.9Å; V142-W249 HydrophobicContact CG2-CD2 4.15Å; V142-W249 HydrophobicContact CG2-CE3 3.91Å; V142-W249 HydrophobicContact CG2-CH2 3.76Å; V142-W249 HydrophobicContact CG2-CZ2 3.98Å; V142-W249 HydrophobicContact CG2-CZ3 3.72Å; M237-W249 HydrophobicContact CB-CZ2 4.46Å; M237-W249 HydrophobicContact CE-CZ2 3.98Å; M237-W249 PolarHBondContact O-NE1 2.76Å; L239-W249 HydrophobicContact CD1-CG 4.47Å |
| 250 | K | 84.6 | Confident | 79 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 13% | 0.13 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.3 | 177.3 | -63.2 | -164 | 172.2 | -172.8 | 0 | 110.1 | E140 Y141 K144 D153 T248 | E140-K250 CarbonylContact C-O 3.46Å; E140-K250 WeakPolarHBondContact CA-O 3.3Å; Y141-K250 HydrophobicContact CD1-CB 4.26Å; Y141-K250 VanDerWaalsContact CD1-O 3.28Å; Y141-K250 WeakPolarHBondContact CD1-O 3.47Å; Y141-K250 HydrophobicContact CD2-CB 4.37Å; Y141-K250 HydrophobicContact CE1-CB 3.83Å; Y141-K250 HydrophobicContact CE2-CB 3.98Å; Y141-K250 HydrophobicContact CE2-CD 4.39Å; Y141-K250 PolarHBondContact N-O 2.8Å; Y141-K250 PolarHBondContact O-N 3.49Å; K144-K250 WeakPolarHBondContact O-CE 3.11Å; K144-K250 PolarHBondContact O-NZ 3.43Å; D153-K250 HydrophobicContact CB-CD 4.07Å; D153-K250 VanDerWaalsContact CG-CD 3.44Å; D153-K250 IonicContact OD1-NZ 3.67Å; D153-K250 PolarHBondContact OD1-NZ 3.44Å; D153-K250 WeakPolarHBondContact OD2-CD 3.44Å; D153-K250 IonicContact OD2-NZ 3.66Å; D153-K250 PolarHBondContact OD2-NZ 2.96Å; T248-K250 HydrophobicContact CG2-CG 3.89Å |
| 251 | K | 83.4 | Confident | 78 | Confident | 117 Ų | 117 | 59.1 Ų | 59.1 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.6 | 175.8 | -75.9 | 164.6 | 156.4 | -168.9 | 0 | 109.4 | Q138 E140 D253 | Q138-K251 HydrophobicContact CG-CB 4.4Å; Q138-K251 HydrophobicContact CG-CG 4.08Å; E140-K251 HydrophobicContact CG-CG 4.15Å; K251-D253 PolarHBondContact O-N 3.5Å |
| 252 | V | 72.2 | Confident | 77.1 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 14% | 0.139 | 31% | 0.309 | C | S | . | . | trans | -69.6 | 115.8 | 172.6 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | M139 Y141 L295 | M139-V252 HydrophobicContact CB-CB 4.29Å; M139-V252 HydrophobicContact CB-CG2 4.01Å; M139-V252 HydrophobicContact CG-CG2 3.83Å; M139-V252 PolarHBondContact O-N 3.07Å; M139-V252 HydrophobicContact SD-CG2 4.37Å; Y141-V252 HydrophobicContact CD1-CG2 3.68Å; Y141-V252 HydrophobicContact CE1-CG2 4.13Å; V252-L295 HydrophobicContact CG1-CD2 4.05Å | ||
| 253 | D | 72 | Confident | 76.1 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | trans | -120 | 99.6 | 172.3 | 179.6 | -12.9 | 0 | 0 | 0 | 108.3 | K251 E255 S256 F257 | K251-D253 PolarHBondContact O-N 3.5Å; D253-E255 VanDerWaalsContact C-N 3.29Å; D253-E255 PolarHBondContact O-N 3.12Å; D253-E255 PolarHBondContact OD1-N 3.47Å; D253-S256 PolarHBondContact OD1-N 3.3Å; D253-S256 WeakPolarHBondContact OD2-CB 3.27Å; D253-F257 WeakPolarHBondContact O-CB 3.49Å; D253-F257 PolarHBondContact O-N 2.95Å | ||
| 254 | A | 65.7 | Low | 74.5 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.9 | -29.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A258 P289 | A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.22Å; A254-A258 PolarHBondContact O-N 2.9Å; A254-P289 HydrophobicContact CB-CG 3.9Å |
| 255 | E | 67.8 | Low | 72.9 | Confident | 164 Ų | 164 | 50.1 Ų | 50.1 | 77% | 0.766 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -73.6 | -48.2 | 179.3 | -66.2 | -175.7 | -179.7 | 0 | 0 | 110.7 | D253 F257 A258 K259 | D253-E255 VanDerWaalsContact C-N 3.29Å; D253-E255 PolarHBondContact O-N 3.12Å; D253-E255 PolarHBondContact OD1-N 3.47Å; E255-F257 VanDerWaalsContact C-N 3.27Å; E255-F257 PolarHBondContact O-N 3.02Å; E255-A258 PolarHBondContact O-N 2.82Å; E255-K259 WeakPolarHBondContact O-CB 3.32Å; E255-K259 PolarHBondContact O-N 3.42Å |
| 256 | S | 67.8 | Low | 71.6 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 172.9 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | D253 A258 K259 K260 | D253-S256 PolarHBondContact OD1-N 3.3Å; D253-S256 WeakPolarHBondContact OD2-CB 3.27Å; S256-A258 PolarHBondContact O-N 2.66Å; S256-K259 PolarHBondContact O-N 2.99Å; S256-K260 WeakPolarHBondContact O-CG 3.41Å; S256-K260 PolarHBondContact O-N 3.4Å |
| 257 | F | 62.4 | Low | 70 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 176.7 | -177.7 | -103.2 | 0 | 0 | 0 | 112.5 | L152 D253 E255 K259 K260 I261 L295 I299 | L152-F257 HydrophobicContact CD1-CE2 4.39Å; L152-F257 HydrophobicContact CD2-CD2 3.77Å; L152-F257 HydrophobicContact CD2-CE2 3.46Å; L152-F257 VanDerWaalsContact CD2-CE2 3.46Å; D253-F257 WeakPolarHBondContact O-CB 3.49Å; D253-F257 PolarHBondContact O-N 2.95Å; E255-F257 VanDerWaalsContact C-N 3.27Å; E255-F257 PolarHBondContact O-N 3.02Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 3.41Å; F257-K260 PolarHBondContact O-N 2.75Å; F257-I261 HydrophobicContact CD1-CD1 3.7Å; F257-I261 HydrophobicContact CE1-CD1 3.06Å; F257-I261 HydrophobicContact CE1-CG1 3.98Å; F257-I261 HydrophobicContact CE2-CD1 4.24Å; F257-I261 HydrophobicContact CE2-CG1 4.29Å; F257-I261 HydrophobicContact CZ-CD1 3.27Å; F257-I261 HydrophobicContact CZ-CG1 3.7Å; F257-I261 WeakPolarHBondContact O-CG1 3.38Å; F257-I261 PolarHBondContact O-N 2.8Å; F257-L295 HydrophobicContact CD1-CD1 3.3Å; F257-L295 HydrophobicContact CD1-CD2 4.09Å; F257-L295 HydrophobicContact CD1-CG 3.65Å; F257-L295 HydrophobicContact CE1-CD1 3.68Å; F257-L295 HydrophobicContact CE1-CG 3.75Å; F257-L295 HydrophobicContact CG-CD1 4.11Å; F257-L295 HydrophobicContact CG-CD2 4.15Å; F257-L295 HydrophobicContact CG-CG 4.2Å; F257-I299 HydrophobicContact CD2-CD1 4.16Å; F257-I299 HydrophobicContact CD2-CG1 4.33Å; F257-I299 HydrophobicContact CE1-CD1 4.38Å; F257-I299 HydrophobicContact CE1-CG1 3.88Å; F257-I299 HydrophobicContact CE2-CD1 3.37Å; F257-I299 HydrophobicContact CE2-CG1 3.16Å; F257-I299 HydrophobicContact CZ-CB 4.18Å; F257-I299 HydrophobicContact CZ-CD1 3.57Å; F257-I299 HydrophobicContact CZ-CG1 2.91Å |
| 258 | A | 61.3 | Low | 68.2 | Low | 20 Ų | 20 | 56.5 Ų | 56.5 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A254 E255 S256 I261 D262 V284 | A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.22Å; A254-A258 PolarHBondContact O-N 2.9Å; E255-A258 PolarHBondContact O-N 2.82Å; S256-A258 PolarHBondContact O-N 2.66Å; A258-I261 WeakPolarHBondContact O-CB 3.48Å; A258-I261 PolarHBondContact O-N 3.07Å; A258-D262 WeakPolarHBondContact O-CB 3.15Å; A258-D262 PolarHBondContact O-N 2.68Å; A258-V284 HydrophobicContact CB-CG1 4.15Å |
| 259 | K | 67.6 | Low | 66.2 | Low | 152 Ų | 152 | 65.5 Ų | 65.5 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 176.6 | -174.1 | -178.8 | 177.8 | -176 | 0 | 112.6 | E255 S256 F257 D262 T263 | E255-K259 WeakPolarHBondContact O-CB 3.32Å; E255-K259 PolarHBondContact O-N 3.42Å; S256-K259 PolarHBondContact O-N 2.99Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 3.41Å; K259-D262 PolarHBondContact O-N 2.69Å; K259-T263 PolarHBondContact O-N 2.94Å; K259-T263 PolarHBondContact O-OG1 3.31Å |
| 260 | K | 65 | Low | 64.3 | Low | 27 Ų | 27 | 65.5 Ų | 65.5 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.2 | -69.9 | 179.8 | -171.7 | -155.4 | 0 | 110.8 | Q149 I151 L152 S256 F257 D262 T263 L264 | Q149-K260 WeakPolarHBondContact O-CE 3.3Å; Q149-K260 PolarHBondContact O-NZ 2.83Å; I151-K260 PolarHBondContact O-NZ 2.98Å; L152-K260 HydrophobicContact CD2-CB 3.84Å; L152-K260 HydrophobicContact CD2-CD 3.84Å; S256-K260 WeakPolarHBondContact O-CG 3.41Å; S256-K260 PolarHBondContact O-N 3.4Å; F257-K260 PolarHBondContact O-N 2.75Å; K260-D262 VanDerWaalsContact C-N 3.34Å; K260-D262 PolarHBondContact O-N 3.38Å; K260-T263 WeakPolarHBondContact O-CB 3.41Å; K260-T263 PolarHBondContact O-N 2.92Å; K260-L264 WeakPolarHBondContact O-CG 3.24Å; K260-L264 PolarHBondContact O-N 3.04Å |
| 261 | I | 60.4 | Low | 62.6 | Low | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.8 | -49.9 | 172.4 | -69.5 | 166.5 | 0 | 0 | 0 | 111 | F257 A258 T263 L264 V265 V277 I302 | F257-I261 HydrophobicContact CD1-CD1 3.7Å; F257-I261 HydrophobicContact CE1-CD1 3.06Å; F257-I261 HydrophobicContact CE1-CG1 3.98Å; F257-I261 HydrophobicContact CE2-CD1 4.24Å; F257-I261 HydrophobicContact CE2-CG1 4.29Å; F257-I261 HydrophobicContact CZ-CD1 3.27Å; F257-I261 HydrophobicContact CZ-CG1 3.7Å; F257-I261 WeakPolarHBondContact O-CG1 3.38Å; F257-I261 PolarHBondContact O-N 2.8Å; A258-I261 WeakPolarHBondContact O-CB 3.48Å; A258-I261 PolarHBondContact O-N 3.07Å; I261-T263 PolarHBondContact O-N 3.5Å; I261-L264 PolarHBondContact O-N 2.92Å; I261-V265 HydrophobicContact CG2-CG2 3.98Å; I261-V265 WeakPolarHBondContact O-CB 3.47Å; I261-V265 WeakPolarHBondContact O-CG2 3.41Å; I261-V265 PolarHBondContact O-N 2.78Å; I261-V277 HydrophobicContact CG2-CG1 4.14Å; I261-I302 HydrophobicContact CB-CD1 4.23Å; I261-I302 HydrophobicContact CD1-CD1 3.29Å; I261-I302 HydrophobicContact CG1-CD1 3.65Å; I261-I302 HydrophobicContact CG1-CG2 4.36Å; I261-I302 HydrophobicContact CG2-CD1 3.57Å; I261-I302 HydrophobicContact CG2-CG1 4.33Å; I261-I302 HydrophobicContact CG2-CG2 4.09Å |
| 262 | D | 61.5 | Low | 60.7 | Low | 53 Ų | 53 | 71 Ų | 71 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | -177.8 | -163.5 | 95.5 | 0 | 0 | 0 | 110.5 | A258 K259 K260 V265 N266 K281 | A258-D262 WeakPolarHBondContact O-CB 3.15Å; A258-D262 PolarHBondContact O-N 2.68Å; K259-D262 PolarHBondContact O-N 2.69Å; K260-D262 VanDerWaalsContact C-N 3.34Å; K260-D262 PolarHBondContact O-N 3.38Å; D262-V265 PolarHBondContact O-N 3.05Å; D262-N266 WeakPolarHBondContact O-CB 3.48Å; D262-N266 PolarHBondContact O-N 2.89Å; D262-N266 PolarHBondContact O-ND2 2.87Å; D262-N266 PolarHBondContact OD2-ND2 3.47Å; D262-K281 IonicContact OD1-NZ 2.85Å; D262-K281 PolarHBondContact OD1-NZ 2.97Å |
| 263 | T | 65.1 | Low | 59.4 | Low | 49 Ų | 49 | 72.5 Ų | 72.5 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | K259 K260 I261 V265 N266 Q267 | K259-T263 PolarHBondContact O-N 2.94Å; K259-T263 PolarHBondContact O-OG1 3.31Å; K260-T263 WeakPolarHBondContact O-CB 3.41Å; K260-T263 PolarHBondContact O-N 2.92Å; I261-T263 PolarHBondContact O-N 3.5Å; T263-V265 PolarHBondContact O-N 2.94Å; T263-N266 PolarHBondContact O-N 2.81Å; T263-Q267 WeakPolarHBondContact O-CB 3.4Å; T263-Q267 VanDerWaalsContact O-CG 3.31Å; T263-Q267 WeakPolarHBondContact O-CG 3.46Å; T263-Q267 PolarHBondContact O-N 3.44Å |
| 264 | L | 58.5 | Low | 58.4 | Low | 21 Ų | 21 | 69.3 Ų | 69.3 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 178.1 | -69.5 | 172.3 | 0 | 0 | 0 | 111.5 | L152 K260 I261 N266 Q267 A268 V306 I308 | L152-L264 HydrophobicContact CD1-CD1 3.76Å; L152-L264 HydrophobicContact CG-CD1 4.03Å; K260-L264 WeakPolarHBondContact O-CG 3.24Å; K260-L264 PolarHBondContact O-N 3.04Å; I261-L264 PolarHBondContact O-N 2.92Å; L264-N266 VanDerWaalsContact C-N 3.35Å; L264-N266 PolarHBondContact O-N 2.9Å; L264-Q267 PolarHBondContact O-N 3.18Å; L264-A268 PolarHBondContact O-N 3.32Å; L264-V306 HydrophobicContact CB-CG1 4.17Å; L264-V306 VanDerWaalsContact O-CG1 3.3Å; L264-V306 WeakPolarHBondContact O-CG1 3Å; L264-I308 HydrophobicContact CB-CD1 3.98Å; L264-I308 HydrophobicContact CD2-CB 3.92Å; L264-I308 HydrophobicContact CD2-CD1 3.79Å; L264-I308 HydrophobicContact CD2-CG1 4.47Å; L264-I308 HydrophobicContact CD2-CG2 3.44Å; L264-I308 VanDerWaalsContact CD2-CG2 3.44Å; L264-I308 WeakPolarHBondContact O-CD1 2.83Å |
| 265 | V | 57.8 | Low | 57.5 | Low | 21 Ų | 21 | 74.2 Ų | 74.2 | 13% | 0.127 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 178.8 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | I261 D262 T263 A268 L270 V277 V306 | I261-V265 HydrophobicContact CG2-CG2 3.98Å; I261-V265 WeakPolarHBondContact O-CB 3.47Å; I261-V265 WeakPolarHBondContact O-CG2 3.41Å; I261-V265 PolarHBondContact O-N 2.78Å; D262-V265 PolarHBondContact O-N 3.05Å; T263-V265 PolarHBondContact O-N 2.94Å; V265-A268 PolarHBondContact O-N 3.26Å; V265-L270 HydrophobicContact CB-CD1 4.34Å; V265-L270 HydrophobicContact CG1-CD1 3.77Å; V265-L270 HydrophobicContact CG2-CD1 4.39Å; V265-V277 HydrophobicContact CB-CG1 4.43Å; V265-V277 HydrophobicContact CG1-CB 4.31Å; V265-V277 HydrophobicContact CG1-CG1 4.27Å; V265-V277 HydrophobicContact CG2-CB 4.14Å; V265-V277 HydrophobicContact CG2-CG1 3.42Å; V265-V277 VanDerWaalsContact CG2-CG1 3.42Å; V265-V277 HydrophobicContact CG2-CG2 4.2Å; V265-V306 HydrophobicContact CG2-CG2 3.9Å |
| 266 | N | 62.4 | Low | 56.7 | Low | 107 Ų | 107 | 69.5 Ų | 69.5 | 57% | 0.572 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.9 | -36.8 | 178.8 | -69.5 | -32.7 | 0 | 0 | 0 | 111.7 | D262 T263 L264 | D262-N266 WeakPolarHBondContact O-CB 3.48Å; D262-N266 PolarHBondContact O-N 2.89Å; D262-N266 PolarHBondContact O-ND2 2.87Å; D262-N266 PolarHBondContact OD2-ND2 3.47Å; T263-N266 PolarHBondContact O-N 2.81Å; L264-N266 VanDerWaalsContact C-N 3.35Å; L264-N266 PolarHBondContact O-N 2.9Å |
| 267 | Q | 60 | Low | 55.8 | Low | 120 Ų | 120 | 67.9 Ų | 67.9 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.5 | -34.9 | 176.6 | -75.8 | 176.7 | -7.9 | 0 | 0 | 112.7 | T263 L264 R269 I308 | T263-Q267 WeakPolarHBondContact O-CB 3.4Å; T263-Q267 VanDerWaalsContact O-CG 3.31Å; T263-Q267 WeakPolarHBondContact O-CG 3.46Å; T263-Q267 PolarHBondContact O-N 3.44Å; L264-Q267 PolarHBondContact O-N 3.18Å; Q267-R269 PolarHBondContact O-N 3.01Å; Q267-R269 VanDerWaalsContact O-N 3.17Å; Q267-I308 HydrophobicContact CB-CD1 4.11Å |
| 268 | A | 52.2 | Low | 55.1 | Low | 31 Ų | 31 | 73.2 Ų | 73.2 | 26% | 0.256 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 0.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | L264 V265 L270 V306 I308 | L264-A268 PolarHBondContact O-N 3.32Å; V265-A268 PolarHBondContact O-N 3.26Å; A268-L270 VanDerWaalsContact C-N 3.31Å; A268-L270 HydrophobicContact CB-CD2 3.86Å; A268-L270 HydrophobicContact CB-CG 4.05Å; A268-L270 PolarHBondContact O-N 3.45Å; A268-V306 HydrophobicContact CB-CB 4.47Å; A268-V306 HydrophobicContact CB-CG1 3.35Å; A268-I308 HydrophobicContact CB-CD1 4.12Å |
| 269 | R | 52.9 | Low | 54.6 | Low | 232 Ų | 232 | 76.4 Ų | 76.4 | 88% | 0.875 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 46.9 | 179.4 | -62.8 | -175.6 | 174.5 | -177.7 | -1.1 | 113.2 | Q267 | Q267-R269 PolarHBondContact O-N 3.01Å; Q267-R269 VanDerWaalsContact O-N 3.17Å |
| 270 | L | 51.1 | Low | 53.9 | Low | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | trans | -64.4 | 137 | -174.7 | -68.7 | -169.1 | 0 | 0 | 0 | 113.5 | S22 V265 A268 E274 V277 I305 V306 | S22-L270 WeakPolarHBondContact OG-CD2 3.37Å; V265-L270 HydrophobicContact CB-CD1 4.34Å; V265-L270 HydrophobicContact CG1-CD1 3.77Å; V265-L270 HydrophobicContact CG2-CD1 4.39Å; A268-L270 VanDerWaalsContact C-N 3.31Å; A268-L270 HydrophobicContact CB-CD2 3.86Å; A268-L270 HydrophobicContact CB-CG 4.05Å; A268-L270 PolarHBondContact O-N 3.45Å; L270-E274 VanDerWaalsContact C-OE2 3.26Å; L270-E274 WeakPolarHBondContact CA-OE2 3.42Å; L270-E274 HydrophobicContact CB-CB 3.55Å; L270-E274 HydrophobicContact CB-CG 4.45Å; L270-E274 WeakPolarHBondContact CB-OE2 3.32Å; L270-E274 HydrophobicContact CD1-CB 3.99Å; L270-E274 HydrophobicContact CD2-CB 4.09Å; L270-E274 HydrophobicContact CD2-CG 4.22Å; L270-E274 VanDerWaalsContact CD2-OE2 3.26Å; L270-E274 WeakPolarHBondContact CD2-OE2 3.43Å; L270-E274 HydrophobicContact CG-CB 4.05Å; L270-V277 HydrophobicContact CD1-CG2 4.19Å; L270-I305 HydrophobicContact CD1-CG2 4.1Å; L270-V306 HydrophobicContact CD1-CG2 4.33Å | ||
| 271 | T | 48.3 | Very low | 53.2 | Low | 81 Ų | 81 | 72.1 Ų | 72.1 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | trans | -69.4 | 168.8 | 177.4 | 73.3 | 0 | 0 | 0 | 0 | 113 | G273 E274 K275 | T271-G273 PolarHBondContact O-N 2.99Å; T271-G273 VanDerWaalsContact O-N 3.12Å; T271-E274 PolarHBondContact N-OE2 3.11Å; T271-E274 WeakPolarHBondContact O-CA 3.46Å; T271-E274 WeakPolarHBondContact O-CB 3.17Å; T271-E274 PolarHBondContact O-N 2.96Å; T271-E274 PolarHBondContact OG1-OE1 2.81Å; T271-E274 PolarHBondContact OG1-OE2 2.94Å; T271-K275 PolarHBondContact O-N 3.14Å | ||
| 272 | K | 42.7 | Very low | 52.8 | Low | 183 Ų | 183 | 76.3 Ų | 76.3 | 80% | 0.796 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.5 | -179.2 | -82.5 | -177 | 179.8 | 177.8 | 0 | 114.4 | K275 | K272-K275 VanDerWaalsContact O-CB 3.31Å; K272-K275 WeakPolarHBondContact O-CB 3.28Å |
| 273 | G | 45.4 | Very low | 52.2 | Low | 53 Ų | 53 | 76.7 Ų | 76.7 | 55% | 0.546 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -30.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T271 K275 F276 | T271-G273 PolarHBondContact O-N 2.99Å; T271-G273 VanDerWaalsContact O-N 3.12Å; G273-K275 PolarHBondContact O-N 3.25Å; G273-F276 PolarHBondContact O-N 3.3Å |
| 274 | E | 49.8 | Very low | 51.5 | Low | 19 Ų | 19 | 75 Ų | 75 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -73.9 | -10.1 | 174 | -67.6 | 143.8 | -139.7 | 0 | 0 | 112 | V20 S22 L270 T271 F276 V277 | V20-E274 HydrophobicContact CG1-CB 4.17Å; V20-E274 HydrophobicContact CG1-CG 3.63Å; S22-E274 VanDerWaalsContact CB-CD 3.43Å; S22-E274 WeakPolarHBondContact CB-OE1 3.46Å; S22-E274 PolarHBondContact OG-OE2 2.86Å; L270-E274 VanDerWaalsContact C-OE2 3.26Å; L270-E274 WeakPolarHBondContact CA-OE2 3.42Å; L270-E274 HydrophobicContact CB-CB 3.55Å; L270-E274 HydrophobicContact CB-CG 4.45Å; L270-E274 WeakPolarHBondContact CB-OE2 3.32Å; L270-E274 HydrophobicContact CD1-CB 3.99Å; L270-E274 HydrophobicContact CD2-CB 4.09Å; L270-E274 HydrophobicContact CD2-CG 4.22Å; L270-E274 VanDerWaalsContact CD2-OE2 3.26Å; L270-E274 WeakPolarHBondContact CD2-OE2 3.43Å; L270-E274 HydrophobicContact CG-CB 4.05Å; T271-E274 PolarHBondContact N-OE2 3.11Å; T271-E274 WeakPolarHBondContact O-CA 3.46Å; T271-E274 WeakPolarHBondContact O-CB 3.17Å; T271-E274 PolarHBondContact O-N 2.96Å; T271-E274 PolarHBondContact OG1-OE1 2.81Å; T271-E274 PolarHBondContact OG1-OE2 2.94Å; E274-F276 PolarHBondContact O-N 3.44Å; E274-V277 WeakPolarHBondContact O-CG2 3.47Å; E274-V277 PolarHBondContact O-N 3.21Å |
| 275 | K | 48.6 | Very low | 51.2 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -62.2 | -4.9 | 167.6 | -65.6 | -175.3 | 176 | -168.9 | 0 | 114.3 | T271 K272 G273 V277 Q278 | T271-K275 PolarHBondContact O-N 3.14Å; K272-K275 VanDerWaalsContact O-CB 3.31Å; K272-K275 WeakPolarHBondContact O-CB 3.28Å; G273-K275 PolarHBondContact O-N 3.25Å; K275-V277 PolarHBondContact O-N 2.87Å; K275-V277 VanDerWaalsContact O-N 3.08Å; K275-Q278 WeakPolarHBondContact O-CB 3.2Å; K275-Q278 PolarHBondContact O-N 2.86Å |
| 276 | F | 49.5 | Very low | 50.7 | Low | 65 Ų | 65 | 87.1 Ų | 87.1 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -57 | -18.3 | 167.8 | -171.3 | -97.7 | 0 | 0 | 0 | 112.7 | F16 G273 E274 Q278 N279 L280 | F16-F276 HydrophobicContact CD1-CB 4.5Å; F16-F276 AromaticContact CD1-CD1 3.53Å; F16-F276 HydrophobicContact CD1-CD1 3.53Å; F16-F276 HydrophobicContact CD1-CD2 4.38Å; F16-F276 AromaticContact CD1-CE1 3.72Å; F16-F276 HydrophobicContact CD1-CE1 3.72Å; F16-F276 AromaticContact CD1-CG 3.89Å; F16-F276 HydrophobicContact CD1-CG 3.89Å; F16-F276 HydrophobicContact CD1-CZ 4.23Å; F16-F276 HydrophobicContact CE1-CB 3.6Å; F16-F276 AromaticContact CE1-CD1 3.47Å; F16-F276 HydrophobicContact CE1-CD1 3.47Å; F16-F276 VanDerWaalsContact CE1-CD1 3.47Å; F16-F276 AromaticContact CE1-CD2 3.78Å; F16-F276 HydrophobicContact CE1-CD2 3.78Å; F16-F276 HydrophobicContact CE1-CE1 4.04Å; F16-F276 HydrophobicContact CE1-CE2 4.32Å; F16-F276 AromaticContact CE1-CG 3.32Å; F16-F276 HydrophobicContact CE1-CG 3.32Å; F16-F276 HydrophobicContact CE1-CZ 4.43Å; F16-F276 HydrophobicContact CG-CE1 4.4Å; F16-F276 HydrophobicContact CZ-CB 4.24Å; F16-F276 HydrophobicContact CZ-CD1 4.48Å; F16-F276 HydrophobicContact CZ-CD2 4.03Å; F16-F276 HydrophobicContact CZ-CG 4.01Å; G273-F276 PolarHBondContact O-N 3.3Å; E274-F276 PolarHBondContact O-N 3.44Å; F276-Q278 PolarHBondContact O-N 2.92Å; F276-N279 HydrophobicContact CD2-CB 4.09Å; F276-N279 VanDerWaalsContact CD2-ND2 3.29Å; F276-N279 WeakPolarHBondContact CD2-ND2 3.07Å; F276-N279 HydrophobicContact CE2-CB 4.03Å; F276-N279 WeakPolarHBondContact CE2-ND2 3.35Å; F276-N279 HydrophobicContact CG-CB 4.46Å; F276-N279 HydrophobicContact CZ-CB 4.36Å; F276-N279 WeakPolarHBondContact O-CA 3.42Å; F276-N279 WeakPolarHBondContact O-CB 3.43Å; F276-N279 PolarHBondContact O-N 3.08Å; F276-L280 PolarHBondContact O-N 3.24Å |
| 277 | V | 49.6 | Very low | 49.9 | Very low | 10 Ų | 10 | 83.9 Ų | 83.9 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.3 | -24.3 | 168.4 | -174.9 | 0 | 0 | 0 | 0 | 112.8 | I261 V265 L270 E274 K275 L280 K281 I305 | I261-V277 HydrophobicContact CG2-CG1 4.14Å; V265-V277 HydrophobicContact CB-CG1 4.43Å; V265-V277 HydrophobicContact CG1-CB 4.31Å; V265-V277 HydrophobicContact CG1-CG1 4.27Å; V265-V277 HydrophobicContact CG2-CB 4.14Å; V265-V277 HydrophobicContact CG2-CG1 3.42Å; V265-V277 VanDerWaalsContact CG2-CG1 3.42Å; V265-V277 HydrophobicContact CG2-CG2 4.2Å; L270-V277 HydrophobicContact CD1-CG2 4.19Å; E274-V277 WeakPolarHBondContact O-CG2 3.47Å; E274-V277 PolarHBondContact O-N 3.21Å; K275-V277 PolarHBondContact O-N 2.87Å; K275-V277 VanDerWaalsContact O-N 3.08Å; V277-L280 HydrophobicContact CG1-CD1 4.46Å; V277-L280 HydrophobicContact CG2-CD1 4.48Å; V277-L280 WeakPolarHBondContact O-CB 3.3Å; V277-L280 PolarHBondContact O-N 3.03Å; V277-K281 PolarHBondContact O-N 3.2Å; V277-I305 HydrophobicContact CG2-CD1 4.23Å; V277-I305 HydrophobicContact CG2-CG2 4.16Å |
| 278 | Q | 48.6 | Very low | 49.2 | Very low | 125 Ų | 125 | 86.8 Ų | 86.8 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.6 | -32.2 | 168.3 | -74.7 | -130.3 | -15.2 | 0 | 0 | 113.5 | K275 F276 L280 K281 E282 | K275-Q278 WeakPolarHBondContact O-CB 3.2Å; K275-Q278 PolarHBondContact O-N 2.86Å; F276-Q278 PolarHBondContact O-N 2.92Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; Q278-K281 VanDerWaalsContact O-CB 3.28Å; Q278-K281 WeakPolarHBondContact O-CB 3.15Å; Q278-K281 PolarHBondContact O-N 2.74Å; Q278-E282 PolarHBondContact O-N 2.95Å |
| 279 | N | 50 | Low | 49 | Very low | 87 Ų | 87 | 88.3 Ų | 88.3 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 172.4 | -70.5 | -20.7 | 0 | 0 | 0 | 110.8 | F276 K281 E282 L283 | F276-N279 HydrophobicContact CD2-CB 4.09Å; F276-N279 VanDerWaalsContact CD2-ND2 3.29Å; F276-N279 WeakPolarHBondContact CD2-ND2 3.07Å; F276-N279 HydrophobicContact CE2-CB 4.03Å; F276-N279 WeakPolarHBondContact CE2-ND2 3.35Å; F276-N279 HydrophobicContact CG-CB 4.46Å; F276-N279 HydrophobicContact CZ-CB 4.36Å; F276-N279 WeakPolarHBondContact O-CA 3.42Å; F276-N279 WeakPolarHBondContact O-CB 3.43Å; F276-N279 PolarHBondContact O-N 3.08Å; N279-K281 VanDerWaalsContact C-N 3.34Å; N279-E282 PolarHBondContact O-N 2.81Å; N279-L283 WeakPolarHBondContact O-CB 3.32Å; N279-L283 PolarHBondContact O-N 2.76Å |
| 280 | L | 51.7 | Low | 48.6 | Very low | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.021 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 169.1 | -64.5 | 169.1 | 0 | 0 | 0 | 112.2 | F13 F276 V277 Q278 E282 L283 V284 L298 I302 I305 | F13-L280 HydrophobicContact CD2-CD2 3.57Å; F13-L280 HydrophobicContact CE1-CD2 4.16Å; F13-L280 HydrophobicContact CE2-CD1 3.47Å; F13-L280 VanDerWaalsContact CE2-CD1 3.47Å; F13-L280 HydrophobicContact CE2-CD2 3.02Å; F13-L280 HydrophobicContact CE2-CG 3.75Å; F13-L280 HydrophobicContact CG-CD2 4.4Å; F13-L280 HydrophobicContact CZ-CD1 3.64Å; F13-L280 HydrophobicContact CZ-CD2 3.36Å; F13-L280 HydrophobicContact CZ-CG 4.12Å; F276-L280 PolarHBondContact O-N 3.24Å; V277-L280 HydrophobicContact CG1-CD1 4.46Å; V277-L280 HydrophobicContact CG2-CD1 4.48Å; V277-L280 WeakPolarHBondContact O-CB 3.3Å; V277-L280 PolarHBondContact O-N 3.03Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; L280-E282 VanDerWaalsContact C-N 3.35Å; L280-E282 PolarHBondContact O-N 3.38Å; L280-L283 CarbonylContact O-C 3.49Å; L280-L283 WeakPolarHBondContact O-CB 3.39Å; L280-L283 PolarHBondContact O-N 3.2Å; L280-L283 VanDerWaalsContact O-N 3.12Å; L280-V284 WeakPolarHBondContact O-CB 3.4Å; L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 2.94Å; L280-L298 HydrophobicContact CB-CD2 4.42Å; L280-L298 HydrophobicContact CD2-CD2 3.45Å; L280-L298 VanDerWaalsContact CD2-CD2 3.45Å; L280-L298 HydrophobicContact CG-CD2 4.41Å; L280-I302 HydrophobicContact CD1-CG1 4.21Å; L280-I305 HydrophobicContact CD1-CD1 4.22Å |
| 281 | K | 50.2 | Low | 48.5 | Very low | 86 Ų | 86 | 82.2 Ų | 82.2 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 173.6 | -175.4 | 177.7 | -174.2 | 161.4 | 0 | 111.6 | D262 V277 Q278 N279 L283 N285 | D262-K281 IonicContact OD1-NZ 2.85Å; D262-K281 PolarHBondContact OD1-NZ 2.97Å; V277-K281 PolarHBondContact O-N 3.2Å; Q278-K281 VanDerWaalsContact O-CB 3.28Å; Q278-K281 WeakPolarHBondContact O-CB 3.15Å; Q278-K281 PolarHBondContact O-N 2.74Å; N279-K281 VanDerWaalsContact C-N 3.34Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 3.33Å; K281-N285 WeakPolarHBondContact O-CB 3.48Å; K281-N285 PolarHBondContact O-N 2.99Å; K281-N285 PolarHBondContact O-ND2 3.4Å |
| 282 | E | 52.5 | Low | 48.4 | Very low | 99 Ų | 99 | 78.9 Ų | 78.9 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 172.9 | -72.2 | -141.9 | 156.1 | 0 | 0 | 112.4 | Q278 N279 L280 N285 R286 | Q278-E282 PolarHBondContact O-N 2.95Å; N279-E282 PolarHBondContact O-N 2.81Å; L280-E282 VanDerWaalsContact C-N 3.35Å; L280-E282 PolarHBondContact O-N 3.38Å; E282-N285 PolarHBondContact O-N 3.32Å; E282-R286 VanDerWaalsContact O-CB 3.32Å; E282-R286 WeakPolarHBondContact O-CB 3.2Å; E282-R286 VanDerWaalsContact O-CG 3.27Å; E282-R286 WeakPolarHBondContact O-CG 3.1Å; E282-R286 PolarHBondContact O-N 3.42Å; E282-R286 IonicContact OE1-NH2 2.88Å; E282-R286 IonicContact OE2-CZ 2.74Å; E282-R286 VanDerWaalsContact OE2-CZ 3.27Å; E282-R286 IonicContact OE2-NH1 3.86Å; E282-R286 IonicContact OE2-NH2 3.53Å; E282-R286 PolarHBondContact OE2-NH2 3.24Å |
| 283 | L | 49.8 | Very low | 48.5 | Very low | 61 Ų | 61 | 70.3 Ų | 70.3 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 178.8 | -126.8 | 143.9 | 0 | 0 | 0 | 112 | I9 N279 L280 K281 R286 S287 | I9-L283 HydrophobicContact CG2-CD1 4.22Å; I9-L283 HydrophobicContact CG2-CD2 3.52Å; N279-L283 WeakPolarHBondContact O-CB 3.32Å; N279-L283 PolarHBondContact O-N 2.76Å; L280-L283 CarbonylContact O-C 3.49Å; L280-L283 WeakPolarHBondContact O-CB 3.39Å; L280-L283 PolarHBondContact O-N 3.2Å; L280-L283 VanDerWaalsContact O-N 3.12Å; K281-L283 VanDerWaalsContact C-N 3.32Å; K281-L283 PolarHBondContact O-N 3.33Å; L283-R286 PolarHBondContact O-N 2.88Å; L283-S287 VanDerWaalsContact O-CB 3.27Å; L283-S287 WeakPolarHBondContact O-CB 3.36Å; L283-S287 PolarHBondContact O-N 3.4Å; L283-S287 PolarHBondContact O-OG 3.26Å |
| 284 | V | 50.5 | Low | 48.6 | Very low | 14 Ų | 14 | 69.4 Ų | 69.4 | 9% | 0.085 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -50.6 | 171.8 | 172.1 | 0 | 0 | 0 | 0 | 110 | A258 L280 R286 S287 L298 | A258-V284 HydrophobicContact CB-CG1 4.15Å; L280-V284 WeakPolarHBondContact O-CB 3.4Å; L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 2.94Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.04Å; V284-S287 PolarHBondContact O-N 3.02Å; V284-S287 VanDerWaalsContact O-O 3.13Å; V284-L298 HydrophobicContact CG2-CD1 3.66Å |
| 285 | N | 50.7 | Low | 48.5 | Very low | 114 Ų | 114 | 69.6 Ų | 69.6 | 61% | 0.61 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.2 | -28.4 | -176.9 | -71.7 | -9.5 | 0 | 0 | 0 | 113.3 | K281 E282 | K281-N285 WeakPolarHBondContact O-CB 3.48Å; K281-N285 PolarHBondContact O-N 2.99Å; K281-N285 PolarHBondContact O-ND2 3.4Å; E282-N285 PolarHBondContact O-N 3.32Å |
| 286 | R | 48.2 | Very low | 48.6 | Very low | 182 Ų | 182 | 63.9 Ų | 63.9 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -85.6 | -20.8 | 175.7 | -72.3 | -179.9 | -176.4 | 156.7 | 14.3 | 113.2 | E282 L283 V284 K288 | E282-R286 VanDerWaalsContact O-CB 3.32Å; E282-R286 WeakPolarHBondContact O-CB 3.2Å; E282-R286 VanDerWaalsContact O-CG 3.27Å; E282-R286 WeakPolarHBondContact O-CG 3.1Å; E282-R286 PolarHBondContact O-N 3.42Å; E282-R286 IonicContact OE1-NH2 2.88Å; E282-R286 IonicContact OE2-CZ 2.74Å; E282-R286 VanDerWaalsContact OE2-CZ 3.27Å; E282-R286 IonicContact OE2-NH1 3.86Å; E282-R286 IonicContact OE2-NH2 3.53Å; E282-R286 PolarHBondContact OE2-NH2 3.24Å; L283-R286 PolarHBondContact O-N 2.88Å; V284-R286 VanDerWaalsContact C-N 3.3Å; V284-R286 PolarHBondContact O-N 3.04Å; R286-K288 PolarHBondContact O-N 2.96Å |
| 287 | S | 45 | Very low | 48.6 | Very low | 38 Ų | 38 | 61.4 Ų | 61.4 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -82.8 | 106.6 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 109 | L283 V284 P289 | L283-S287 VanDerWaalsContact O-CB 3.27Å; L283-S287 WeakPolarHBondContact O-CB 3.36Å; L283-S287 PolarHBondContact O-N 3.4Å; L283-S287 PolarHBondContact O-OG 3.26Å; V284-S287 PolarHBondContact O-N 3.02Å; V284-S287 VanDerWaalsContact O-O 3.13Å; S287-P289 WeakPolarHBondContact O-CD 3.46Å; S287-P289 VanDerWaalsContact O-N 3.13Å |
| 288 | K | 46.6 | Very low | 48.6 | Very low | 181 Ų | 181 | 61.3 Ų | 61.3 | 79% | 0.787 | 31% | 0.305 | S | S | * | . | trans | -57.7 | 120.2 | 157 | -72.3 | -172.3 | 177.8 | -175.1 | 0 | 106 | R286 T290 | R286-K288 PolarHBondContact O-N 2.96Å; K288-T290 HydrophobicContact CB-CG2 4.34Å; K288-T290 PolarHBondContact O-N 3.44Å | ||
| 289 | P | 47.2 | Very low | 48.6 | Very low | 63 Ų | 63 | 56.2 Ų | 56.2 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | trans | -77.2 | 79.7 | -174.4 | 29.2 | -27.5 | 0 | 0 | 0 | 107.6 | A254 S287 D291 | A254-P289 HydrophobicContact CB-CG 3.9Å; S287-P289 WeakPolarHBondContact O-CD 3.46Å; S287-P289 VanDerWaalsContact O-N 3.13Å; P289-D291 VanDerWaalsContact C-N 3.34Å | ||
| 290 | T | 45.1 | Very low | 48.5 | Very low | 106 Ų | 106 | 52.7 Ų | 52.7 | 65% | 0.65 | 27% | 0.266 | S | S | * | . | trans | -89.5 | -8.5 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | K288 | K288-T290 HydrophobicContact CB-CG2 4.34Å; K288-T290 PolarHBondContact O-N 3.44Å | ||
| 291 | D | 48.6 | Very low | 48.4 | Very low | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | trans | -135.3 | 115 | 177.6 | -163.3 | -26.9 | 0 | 0 | 0 | 110.8 | K227 P289 S293 I294 | K227-D291 WeakPolarHBondContact CE-OD1 3.28Å; K227-D291 IonicContact NZ-OD1 3.1Å; K227-D291 PolarHBondContact NZ-OD1 2.94Å; K227-D291 IonicContact NZ-OD2 3.82Å; K227-D291 PolarHBondContact NZ-OD2 3.08Å; P289-D291 VanDerWaalsContact C-N 3.34Å; D291-S293 VanDerWaalsContact CG-OG 3.31Å; D291-S293 PolarHBondContact O-N 3.27Å; D291-S293 VanDerWaalsContact O-N 3.16Å; D291-S293 WeakPolarHBondContact OD1-CB 3.42Å; D291-S293 PolarHBondContact OD1-N 2.97Å; D291-S293 PolarHBondContact OD1-OG 2.89Å; D291-S293 PolarHBondContact OD2-OG 2.74Å; D291-I294 HydrophobicContact CB-CD1 4.33Å; D291-I294 HydrophobicContact CB-CG1 4.41Å; D291-I294 PolarHBondContact O-N 3.33Å | ||
| 292 | P | 45.9 | Very low | 48.3 | Very low | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.071 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.2 | -30.8 | 176 | -3.9 | 8.8 | 0 | 0 | 0 | 111.7 | M139 I294 L295 L296 | M139-P292 HydrophobicContact CE-CG 4.04Å; M139-P292 HydrophobicContact CG-CG 4.32Å; M139-P292 HydrophobicContact SD-CB 4.14Å; M139-P292 WeakPolarHBondContact SD-CD 3.41Å; M139-P292 HydrophobicContact SD-CG 3.37Å; M139-P292 WeakPolarHBondContact SD-CG 3.29Å; P292-I294 PolarHBondContact O-N 2.81Å; P292-L295 WeakPolarHBondContact O-CB 3.44Å; P292-L295 PolarHBondContact O-N 3.15Å; P292-L296 HydrophobicContact CB-CD1 4.01Å; P292-L296 WeakPolarHBondContact O-CD1 3.3Å; P292-L296 WeakPolarHBondContact O-CG 3.38Å; P292-L296 PolarHBondContact O-N 3.15Å |
| 293 | S | 44.2 | Very low | 48.1 | Very low | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -28.9 | -175.7 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | R201 D291 L296 D297 | R201-S293 PolarHBondContact NH2-OG 2.75Å; D291-S293 VanDerWaalsContact CG-OG 3.31Å; D291-S293 PolarHBondContact O-N 3.27Å; D291-S293 VanDerWaalsContact O-N 3.16Å; D291-S293 WeakPolarHBondContact OD1-CB 3.42Å; D291-S293 PolarHBondContact OD1-N 2.97Å; D291-S293 PolarHBondContact OD1-OG 2.89Å; D291-S293 PolarHBondContact OD2-OG 2.74Å; S293-L296 PolarHBondContact O-N 3.48Å; S293-D297 WeakPolarHBondContact O-CB 3.48Å; S293-D297 PolarHBondContact O-N 3.42Å |
| 294 | I | 48.6 | Very low | 47.9 | Very low | 34 Ų | 34 | 43.1 Ų | 43.1 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.4 | -44.4 | 174.6 | -65.3 | 175 | 0 | 0 | 0 | 110.2 | Q6 D291 P292 L296 L298 | Q6-I294 HydrophobicContact CG-CD1 4.06Å; Q6-I294 VanDerWaalsContact NE2-CD1 3.3Å; D291-I294 HydrophobicContact CB-CD1 4.33Å; D291-I294 HydrophobicContact CB-CG1 4.41Å; D291-I294 PolarHBondContact O-N 3.33Å; P292-I294 PolarHBondContact O-N 2.81Å; I294-L296 VanDerWaalsContact C-N 3.25Å; I294-L296 PolarHBondContact O-N 3.21Å; I294-L298 HydrophobicContact CG2-CD1 3.92Å; I294-L298 WeakPolarHBondContact O-CB 3.09Å; I294-L298 VanDerWaalsContact O-CD1 3.26Å; I294-L298 WeakPolarHBondContact O-CD1 3.38Å; I294-L298 WeakPolarHBondContact O-CG 2.95Å; I294-L298 PolarHBondContact O-N 2.65Å |
| 295 | L | 47.9 | Very low | 47.6 | Very low | 22 Ų | 22 | 42.7 Ų | 42.7 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 176.1 | -157.7 | 77.5 | 0 | 0 | 0 | 110.9 | V252 F257 P292 L298 I299 | V252-L295 HydrophobicContact CG1-CD2 4.05Å; F257-L295 HydrophobicContact CD1-CD1 3.3Å; F257-L295 HydrophobicContact CD1-CD2 4.09Å; F257-L295 HydrophobicContact CD1-CG 3.65Å; F257-L295 HydrophobicContact CE1-CD1 3.68Å; F257-L295 HydrophobicContact CE1-CG 3.75Å; F257-L295 HydrophobicContact CG-CD1 4.11Å; F257-L295 HydrophobicContact CG-CD2 4.15Å; F257-L295 HydrophobicContact CG-CG 4.2Å; P292-L295 WeakPolarHBondContact O-CB 3.44Å; P292-L295 PolarHBondContact O-N 3.15Å; L295-L298 WeakPolarHBondContact O-CB 3.17Å; L295-L298 PolarHBondContact O-N 2.75Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.29Å; L295-I299 PolarHBondContact O-N 2.88Å |
| 296 | L | 49.8 | Very low | 47.2 | Very low | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.6 | -37.3 | -176.7 | -62.3 | 161.5 | 0 | 0 | 0 | 112.7 | I131 F155 P292 S293 I294 L298 I299 G300 | I131-L296 HydrophobicContact CB-CD1 4.26Å; I131-L296 HydrophobicContact CD1-CB 4.14Å; I131-L296 HydrophobicContact CD1-CD1 3.44Å; I131-L296 VanDerWaalsContact CD1-CD1 3.44Å; I131-L296 HydrophobicContact CD1-CD2 3.31Å; I131-L296 HydrophobicContact CD1-CG 3.73Å; I131-L296 HydrophobicContact CG1-CD1 4.42Å; I131-L296 HydrophobicContact CG1-CD2 4.39Å; I131-L296 HydrophobicContact CG2-CD1 3.83Å; I131-L296 HydrophobicContact CG2-CD2 4.46Å; F155-L296 HydrophobicContact CE1-CD2 4.21Å; F155-L296 HydrophobicContact CE2-CD2 3.93Å; F155-L296 HydrophobicContact CZ-CD2 3.49Å; F155-L296 VanDerWaalsContact CZ-CD2 3.49Å; P292-L296 HydrophobicContact CB-CD1 4.01Å; P292-L296 WeakPolarHBondContact O-CD1 3.3Å; P292-L296 WeakPolarHBondContact O-CG 3.38Å; P292-L296 PolarHBondContact O-N 3.15Å; S293-L296 PolarHBondContact O-N 3.48Å; I294-L296 VanDerWaalsContact C-N 3.25Å; I294-L296 PolarHBondContact O-N 3.21Å; L296-L298 VanDerWaalsContact C-N 3.27Å; L296-I299 HydrophobicContact CD2-CD1 3.88Å; L296-I299 WeakPolarHBondContact O-CB 3.39Å; L296-I299 PolarHBondContact O-N 3.46Å; L296-G300 PolarHBondContact O-N 3.2Å |
| 297 | D | 49.3 | Very low | 46.7 | Very low | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 168.8 | -75.4 | -24.5 | 0 | 0 | 0 | 109.6 | V203 S293 N301 | V203-D297 WeakPolarHBondContact CG1-OD1 3.42Å; S293-D297 WeakPolarHBondContact O-CB 3.48Å; S293-D297 PolarHBondContact O-N 3.42Å; D297-N301 WeakPolarHBondContact O-CB 3.46Å; D297-N301 PolarHBondContact O-N 3.04Å; D297-N301 VanDerWaalsContact O-N 3.08Å; D297-N301 PolarHBondContact O-ND2 3.48Å |
| 298 | L | 49.4 | Very low | 46.3 | Very low | 9 Ų | 9 | 30.1 Ų | 30.1 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 174 | -67.3 | 163.2 | 0 | 0 | 0 | 112 | F13 L280 V284 I294 L295 L296 N301 I302 | F13-L298 HydrophobicContact CD1-CD2 4.43Å; F13-L298 HydrophobicContact CE1-CD2 3.68Å; F13-L298 HydrophobicContact CE1-CG 4.33Å; F13-L298 HydrophobicContact CZ-CD2 3.84Å; L280-L298 HydrophobicContact CB-CD2 4.42Å; L280-L298 HydrophobicContact CD2-CD2 3.45Å; L280-L298 VanDerWaalsContact CD2-CD2 3.45Å; L280-L298 HydrophobicContact CG-CD2 4.41Å; V284-L298 HydrophobicContact CG2-CD1 3.66Å; I294-L298 HydrophobicContact CG2-CD1 3.92Å; I294-L298 WeakPolarHBondContact O-CB 3.09Å; I294-L298 VanDerWaalsContact O-CD1 3.26Å; I294-L298 WeakPolarHBondContact O-CD1 3.38Å; I294-L298 WeakPolarHBondContact O-CG 2.95Å; I294-L298 PolarHBondContact O-N 2.65Å; L295-L298 WeakPolarHBondContact O-CB 3.17Å; L295-L298 PolarHBondContact O-N 2.75Å; L296-L298 VanDerWaalsContact C-N 3.27Å; L298-N301 PolarHBondContact O-N 2.97Å; L298-I302 WeakPolarHBondContact O-CB 3.49Å; L298-I302 VanDerWaalsContact O-CD1 3.29Å; L298-I302 WeakPolarHBondContact O-CD1 3.47Å; L298-I302 WeakPolarHBondContact O-CG1 3.31Å; L298-I302 PolarHBondContact O-N 2.85Å |
| 299 | I | 49.7 | Very low | 45.9 | Very low | 17 Ų | 17 | 22.7 Ų | 22.7 | 9% | 0.087 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.2 | -56.8 | 175 | -72 | 164.4 | 0 | 0 | 0 | 111.6 | L152 F155 F257 L295 L296 N301 I302 I303 | L152-I299 HydrophobicContact CD1-CG2 4.43Å; F155-I299 HydrophobicContact CE2-CD1 4.47Å; F155-I299 HydrophobicContact CZ-CD1 4.47Å; F257-I299 HydrophobicContact CD2-CD1 4.16Å; F257-I299 HydrophobicContact CD2-CG1 4.33Å; F257-I299 HydrophobicContact CE1-CD1 4.38Å; F257-I299 HydrophobicContact CE1-CG1 3.88Å; F257-I299 HydrophobicContact CE2-CD1 3.37Å; F257-I299 HydrophobicContact CE2-CG1 3.16Å; F257-I299 HydrophobicContact CZ-CB 4.18Å; F257-I299 HydrophobicContact CZ-CD1 3.57Å; F257-I299 HydrophobicContact CZ-CG1 2.91Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.29Å; L295-I299 PolarHBondContact O-N 2.88Å; L296-I299 HydrophobicContact CD2-CD1 3.88Å; L296-I299 WeakPolarHBondContact O-CB 3.39Å; L296-I299 PolarHBondContact O-N 3.46Å; I299-N301 PolarHBondContact O-N 3.2Å; I299-I302 PolarHBondContact O-N 3.33Å; I299-I302 VanDerWaalsContact O-N 3.14Å; I299-I303 HydrophobicContact CG2-CD1 3.47Å; I299-I303 VanDerWaalsContact CG2-CD1 3.47Å; I299-I303 HydrophobicContact CG2-CG1 4.17Å; I299-I303 VanDerWaalsContact O-CG1 3.31Å; I299-I303 WeakPolarHBondContact O-CG1 3.32Å; I299-I303 PolarHBondContact O-N 3.1Å |
| 300 | G | 48.5 | Very low | 45.2 | Very low | 14 Ų | 14 | 21.5 Ų | 21.5 | 14% | 0.144 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.7 | -36.3 | -176 | 0 | 0 | 0 | 0 | 0 | 110.9 | L296 N304 | L296-G300 PolarHBondContact O-N 3.2Å; G300-N304 WeakPolarHBondContact O-CB 3.31Å; G300-N304 PolarHBondContact O-N 2.62Å; G300-N304 PolarHBondContact O-ND2 3.03Å |
| 301 | N | 48.8 | Very low | 44.4 | Very low | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -79 | -33.9 | -179 | -68.8 | -21.8 | 0 | 0 | 0 | 113.3 | F13 L17 D297 L298 I299 N304 I305 | F13-N301 HydrophobicContact CD1-CB 4.15Å; F13-N301 WeakPolarHBondContact CD1-ND2 3.26Å; F13-N301 HydrophobicContact CE1-CB 3.24Å; F13-N301 VanDerWaalsContact CE1-CG 3.49Å; F13-N301 WeakPolarHBondContact CE1-ND2 3.43Å; F13-N301 HydrophobicContact CE2-CB 4.18Å; F13-N301 HydrophobicContact CZ-CB 3.23Å; L17-N301 HydrophobicContact CD1-CB 3.28Å; L17-N301 WeakPolarHBondContact CD1-ND2 3.41Å; L17-N301 VanDerWaalsContact CD1-OD1 3.23Å; L17-N301 WeakPolarHBondContact CD1-OD1 3.15Å; L17-N301 HydrophobicContact CD2-CB 3.75Å; L17-N301 HydrophobicContact CG-CB 4.15Å; D297-N301 WeakPolarHBondContact O-CB 3.46Å; D297-N301 PolarHBondContact O-N 3.04Å; D297-N301 VanDerWaalsContact O-N 3.08Å; D297-N301 PolarHBondContact O-ND2 3.48Å; L298-N301 PolarHBondContact O-N 2.97Å; I299-N301 PolarHBondContact O-N 3.2Å; N301-N304 PolarHBondContact O-N 3.15Å; N301-I305 WeakPolarHBondContact O-CD1 3.01Å; N301-I305 WeakPolarHBondContact O-CG1 3.35Å; N301-I305 PolarHBondContact O-N 3.38Å |
| 302 | I | 49 | Very low | 43.4 | Very low | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.9 | -41.3 | 171.7 | -71.3 | 160.4 | 0 | 0 | 0 | 110.8 | I261 L280 L298 I299 N304 I305 V306 | I261-I302 HydrophobicContact CB-CD1 4.23Å; I261-I302 HydrophobicContact CD1-CD1 3.29Å; I261-I302 HydrophobicContact CG1-CD1 3.65Å; I261-I302 HydrophobicContact CG1-CG2 4.36Å; I261-I302 HydrophobicContact CG2-CD1 3.57Å; I261-I302 HydrophobicContact CG2-CG1 4.33Å; I261-I302 HydrophobicContact CG2-CG2 4.09Å; L280-I302 HydrophobicContact CD1-CG1 4.21Å; L298-I302 WeakPolarHBondContact O-CB 3.49Å; L298-I302 VanDerWaalsContact O-CD1 3.29Å; L298-I302 WeakPolarHBondContact O-CD1 3.47Å; L298-I302 WeakPolarHBondContact O-CG1 3.31Å; L298-I302 PolarHBondContact O-N 2.85Å; I299-I302 PolarHBondContact O-N 3.33Å; I299-I302 VanDerWaalsContact O-N 3.14Å; I302-N304 PolarHBondContact O-N 2.83Å; I302-I305 PolarHBondContact O-N 3.29Å; I302-I305 VanDerWaalsContact O-N 3.15Å; I302-V306 HydrophobicContact CG2-CG2 3.77Å; I302-V306 VanDerWaalsContact O-CB 3.27Å; I302-V306 WeakPolarHBondContact O-CB 3.42Å; I302-V306 WeakPolarHBondContact O-CG2 3.48Å; I302-V306 PolarHBondContact O-N 3.17Å |
| 303 | I | 47.5 | Very low | 42.2 | Very low | 30 Ų | 30 | 28.2 Ų | 28.2 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 172.2 | -64.8 | 169.8 | 0 | 0 | 0 | 110.1 | Y208 I299 G307 | Y208-I303 HydrophobicContact CD2-CG2 4.33Å; Y208-I303 HydrophobicContact CE2-CB 4.46Å; Y208-I303 HydrophobicContact CE2-CG2 3.45Å; Y208-I303 VanDerWaalsContact CE2-CG2 3.45Å; I299-I303 HydrophobicContact CG2-CD1 3.47Å; I299-I303 VanDerWaalsContact CG2-CD1 3.47Å; I299-I303 HydrophobicContact CG2-CG1 4.17Å; I299-I303 VanDerWaalsContact O-CG1 3.31Å; I299-I303 WeakPolarHBondContact O-CG1 3.32Å; I299-I303 PolarHBondContact O-N 3.1Å; I303-G307 PolarHBondContact O-N 3.15Å; I303-G307 VanDerWaalsContact O-N 3.12Å |
| 304 | N | 45.8 | Very low | 41.4 | Very low | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | 174.5 | -74.1 | -28.5 | 0 | 0 | 0 | 114 | Y204 Y207 H209 G300 N301 I302 | Y204-N304 PolarHBondContact OH-ND2 3.03Å; Y207-N304 PolarHBondContact O-OD1 3.38Å; H209-N304 PolarHBondContact CD2-O 3.19Å; G300-N304 WeakPolarHBondContact O-CB 3.31Å; G300-N304 PolarHBondContact O-N 2.62Å; G300-N304 PolarHBondContact O-ND2 3.03Å; N301-N304 PolarHBondContact O-N 3.15Å; I302-N304 PolarHBondContact O-N 2.83Å |
| 305 | I | 42.8 | Very low | 41.1 | Very low | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.9 | -50.5 | 178.1 | -73.2 | 160.1 | 0 | 0 | 0 | 111 | L17 V20 L270 V277 L280 N301 I302 | L17-I305 HydrophobicContact CD2-CD1 3.23Å; L17-I305 HydrophobicContact CD2-CG1 3.38Å; V20-I305 HydrophobicContact CB-CG1 4.23Å; V20-I305 HydrophobicContact CG1-CG1 4.23Å; V20-I305 HydrophobicContact CG1-CG2 3.93Å; L270-I305 HydrophobicContact CD1-CG2 4.1Å; V277-I305 HydrophobicContact CG2-CD1 4.23Å; V277-I305 HydrophobicContact CG2-CG2 4.16Å; L280-I305 HydrophobicContact CD1-CD1 4.22Å; N301-I305 WeakPolarHBondContact O-CD1 3.01Å; N301-I305 WeakPolarHBondContact O-CG1 3.35Å; N301-I305 PolarHBondContact O-N 3.38Å; I302-I305 PolarHBondContact O-N 3.29Å; I302-I305 VanDerWaalsContact O-N 3.15Å |
| 306 | V | 42.3 | Very low | 40.7 | Very low | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -87.3 | -18.8 | -162.6 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | L264 V265 A268 L270 I302 I308 | L264-V306 HydrophobicContact CB-CG1 4.17Å; L264-V306 VanDerWaalsContact O-CG1 3.3Å; L264-V306 WeakPolarHBondContact O-CG1 3Å; V265-V306 HydrophobicContact CG2-CG2 3.9Å; A268-V306 HydrophobicContact CB-CB 4.47Å; A268-V306 HydrophobicContact CB-CG1 3.35Å; L270-V306 HydrophobicContact CD1-CG2 4.33Å; I302-V306 HydrophobicContact CG2-CG2 3.77Å; I302-V306 VanDerWaalsContact O-CB 3.27Å; I302-V306 WeakPolarHBondContact O-CB 3.42Å; I302-V306 WeakPolarHBondContact O-CG2 3.48Å; I302-V306 PolarHBondContact O-N 3.17Å; V306-I308 HydrophobicContact CG1-CB 4.25Å; V306-I308 HydrophobicContact CG1-CD1 3.42Å; V306-I308 VanDerWaalsContact CG1-CD1 3.42Å; V306-I308 HydrophobicContact CG1-CG1 3.72Å; V306-I308 PolarHBondContact O-N 3.15Å |
| 307 | G | 39.3 | Very low | 40.2 | Very low | 18 Ų | 18 | 37.3 Ų | 37.3 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | trans | 64.6 | 0.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I303 S309 | I303-G307 PolarHBondContact O-N 3.15Å; I303-G307 VanDerWaalsContact O-N 3.12Å; G307-S309 PolarHBondContact O-N 2.98Å | ||
| 308 | I | 36.9 | Very low | 39.7 | Very low | 45 Ų | 45 | 38.8 Ų | 38.8 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | trans | -77.4 | 99.5 | 177.9 | -63.2 | 169.9 | 0 | 0 | 0 | 107.5 | L264 Q267 A268 V306 A310 | L264-I308 HydrophobicContact CB-CD1 3.98Å; L264-I308 HydrophobicContact CD2-CB 3.92Å; L264-I308 HydrophobicContact CD2-CD1 3.79Å; L264-I308 HydrophobicContact CD2-CG1 4.47Å; L264-I308 HydrophobicContact CD2-CG2 3.44Å; L264-I308 VanDerWaalsContact CD2-CG2 3.44Å; L264-I308 WeakPolarHBondContact O-CD1 2.83Å; Q267-I308 HydrophobicContact CB-CD1 4.11Å; A268-I308 HydrophobicContact CB-CD1 4.12Å; V306-I308 HydrophobicContact CG1-CB 4.25Å; V306-I308 HydrophobicContact CG1-CD1 3.42Å; V306-I308 VanDerWaalsContact CG1-CD1 3.42Å; V306-I308 HydrophobicContact CG1-CG1 3.72Å; V306-I308 PolarHBondContact O-N 3.15Å; I308-A310 PolarHBondContact O-N 3.12Å; I308-A310 VanDerWaalsContact O-N 3.17Å | ||
| 309 | S | 38 | Very low | 39.1 | Very low | 25 Ų | 25 | 40.6 Ų | 40.6 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | trans | -64.3 | 112.2 | 152.8 | 72.8 | 0 | 0 | 0 | 0 | 106.5 | G307 T311 | G307-S309 PolarHBondContact O-N 2.98Å; S309-T311 VanDerWaalsContact C-N 3.25Å; S309-T311 PolarHBondContact O-N 3.35Å | ||
| 310 | A | 32.1 | Very low | 38.4 | Very low | 38 Ų | 38 | 42.2 Ų | 42.2 | 31% | 0.314 | 31% | 0.308 | S | S | . | . | trans | -45.8 | 101.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | I151 I308 | I151-A310 HydrophobicContact CG2-CB 3.35Å; I308-A310 PolarHBondContact O-N 3.12Å; I308-A310 VanDerWaalsContact O-N 3.17Å | ||
| 311 | T | 27.3 | Very low | 37.6 | Very low | 94 Ų | 94 | 44.2 Ų | 44.2 | 58% | 0.577 | 32% | 0.32 | S | S | * | . | trans | 1.9 | 112.7 | 170.7 | 40.9 | 0 | 0 | 0 | 0 | 116.3 | I151 S309 | I151-T311 WeakPolarHBondContact CD1-OG1 3.22Å; S309-T311 VanDerWaalsContact C-N 3.25Å; S309-T311 PolarHBondContact O-N 3.35Å | ||
| 312 | F | 27.7 | Very low | 36.8 | Very low | 68 Ų | 68 | 47.5 Ų | 47.5 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | trans | -90.5 | 98.9 | 159.3 | -73.5 | -72.7 | 0 | 0 | 0 | 109.3 | W157 D210 | W157-F312 AromaticContact CE2-CE1 3.87Å; W157-F312 HydrophobicContact CZ2-CD1 4.16Å; W157-F312 AromaticContact CZ2-CE1 3.52Å; W157-F312 HydrophobicContact CZ2-CE1 3.52Å; W157-F312 HydrophobicContact CZ2-CZ 4.27Å; W157-F312 AromaticContact NE1-CE1 3.79Å; D210-F312 WeakPolarHBondContact OD2-CE2 2.81Å | ||
| 313 | S | 21.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 51.2 Ų | 51.2 | 85% | 0.853 | 37% | 0.371 | S | S | * | . | trans | -92.9 | 105.4 | 151.2 | 46.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 314 | G | 27.9 | Very low | 34.7 | Very low | 148 Ų | 148 | 53.1 Ų | 53.1 | 100% | 1.526 | 39% | 0.391 | S | S | * | . | trans | -174 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 314 of 314 residues in 270.1 ms
(Link to these results)