| 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 | 38.1 | Very low | 41.4 | Very low | 226 Ų | 226 | 153 Ų | 153 | 100% | 1.113 | 74% | 0.74 | S | S | * | * | 0 | 118.1 | 0 | -71.5 | -179.9 | 178.6 | 0 | 0 | 108 | F3 | M1-F3 PolarHBondContact O-N 2.87Š| |||
| 2 | P | 45.9 | Very low | 41.8 | Very low | 120 Ų | 120 | 152.8 Ų | 152.8 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -84.3 | 115.9 | 176.6 | 30.1 | -23.5 | 0 | 0 | 0 | 109.5 | R4 | P2-R4 PolarHBondContact O-N 2.98Š| ||
| 3 | F | 46.7 | Very low | 43 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | -65.6 | 73.7 | 165.7 | -86.2 | -97.1 | 0 | 0 | 0 | 109.8 | M1 | M1-F3 PolarHBondContact O-N 2.87Š| ||
| 4 | R | 39.6 | Very low | 44.1 | Very low | 229 Ų | 229 | 141.1 Ų | 141.1 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | -113 | 63 | 173 | -100 | -170.8 | 177.7 | -170.5 | 1.7 | 110.7 | P2 | P2-R4 PolarHBondContact O-N 2.98Š| ||
| 5 | K | 34.8 | Very low | 46.1 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | trans | -153.6 | 126.4 | 160.9 | -69.2 | -171.4 | 177.7 | 179.6 | 0 | 104.8 | ||||
| 6 | S | 34.4 | Very low | 48.9 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | cis | -130 | 135.4 | 18.1 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | I8 | S6-I8 PolarHBondContact O-N 3.19Š| ||
| 7 | R | 35.8 | Very low | 51.6 | Low | 225 Ų | 225 | 131.7 Ų | 131.7 | 85% | 0.849 | 66% | 0.655 | S | S | * | * | trans | -83.6 | 87.3 | 157.4 | -83.8 | -177.8 | 178.7 | 178.9 | -2.9 | 106.2 | Q9 | R7-Q9 PolarHBondContact O-N 2.96Š| ||
| 8 | I | 40.3 | Very low | 54 | Low | 109 Ų | 109 | 127.1 Ų | 127.1 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | trans | -88.6 | 71.3 | 151.8 | -53.2 | 177.4 | 0 | 0 | 0 | 104.6 | S6 Y10 | S6-I8 PolarHBondContact O-N 3.19Å; I8-Y10 HydrophobicContact CG2-CD2 4.08Å; I8-Y10 HydrophobicContact CG2-CE2 3.73Å; I8-Y10 PolarHBondContact O-N 2.9Å | ||
| 9 | Q | 46 | Very low | 56.2 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 64% | 0.64 | 62% | 0.616 | S | S | * | * | trans | -73.8 | 113.5 | 156.1 | -100 | 175.2 | -27.3 | 0 | 0 | 103.5 | R7 A11 | R7-Q9 PolarHBondContact O-N 2.96Å; Q9-A11 PolarHBondContact O-N 3.35Å | ||
| 10 | Y | 51.5 | Low | 58.2 | Low | 69 Ų | 69 | 117.5 Ų | 117.5 | 27% | 0.271 | 59% | 0.588 | S | S | . | * | trans | -59.9 | 87.4 | 161.9 | -72.4 | -92.2 | 0 | 0 | 0 | 106.2 | I8 N12 L13 P180 C200 | I8-Y10 HydrophobicContact CG2-CD2 4.08Å; I8-Y10 HydrophobicContact CG2-CE2 3.73Å; I8-Y10 PolarHBondContact O-N 2.9Å; Y10-N12 PolarHBondContact O-N 3.08Å; Y10-L13 PolarHBondContact O-N 3.38Å; Y10-P180 HydrophobicContact CD1-CG 4.24Å; Y10-P180 HydrophobicContact CE1-CB 4.07Å; Y10-P180 HydrophobicContact CE1-CG 3.34Å; Y10-P180 HydrophobicContact CE2-CG 4.28Å; Y10-P180 VanDerWaalsContact OH-CG 3.25Å; Y10-P180 WeakPolarHBondContact OH-CG 3.48Å; Y10-C200 HydrophobicContact CD2-CB 3.98Å; Y10-C200 WeakPolarHBondContact CD2-O 3.47Å; Y10-C200 HydrophobicContact CE2-CB 4.27Å; Y10-C200 WeakPolarHBondContact CE2-O 3.22Å | ||
| 11 | A | 42.7 | Very low | 59.8 | Low | 88 Ų | 88 | 116.3 Ų | 116.3 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 5.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q9 | Q9-A11 PolarHBondContact O-N 3.35Š|
| 12 | N | 45.3 | Very low | 62.4 | Low | 151 Ų | 151 | 110.3 Ų | 110.3 | 81% | 0.807 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 44.1 | 177.8 | -70.3 | -33.3 | 0 | 0 | 0 | 110.9 | Y10 N14 | Y10-N12 PolarHBondContact O-N 3.08Å; N12-N14 PolarHBondContact O-N 3.11Å |
| 13 | L | 57.7 | Low | 64.8 | Low | 50 Ų | 50 | 108.2 Ų | 108.2 | 26% | 0.262 | 54% | 0.541 | S | S | . | . | trans | -70.5 | 114.5 | 160.1 | -72.1 | 174 | 0 | 0 | 0 | 106.8 | Y10 V17 T19 L183 | Y10-L13 PolarHBondContact O-N 3.38Å; L13-V17 HydrophobicContact CB-CB 4.14Å; L13-V17 HydrophobicContact CB-CG1 4.37Å; L13-V17 HydrophobicContact CD1-CG1 4.14Å; L13-V17 HydrophobicContact CD2-CB 4.43Å; L13-V17 HydrophobicContact CD2-CG1 4.15Å; L13-V17 HydrophobicContact CG-CG1 4.46Å; L13-T19 VanDerWaalsContact CD1-OG1 3.26Å; L13-T19 WeakPolarHBondContact CD1-OG1 3.3Å; L13-L183 HydrophobicContact CD2-CD1 3.43Å; L13-L183 VanDerWaalsContact CD2-CD1 3.43Å | ||
| 14 | N | 58.2 | Low | 67.2 | Low | 91 Ų | 91 | 105.8 Ų | 105.8 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | trans | -49.3 | 161.8 | -179.8 | -80.9 | -2.8 | 0 | 0 | 0 | 112.2 | N12 N16 V17 R187 | N12-N14 PolarHBondContact O-N 3.11Å; N14-N16 PolarHBondContact O-N 2.85Å; N14-V17 PolarHBondContact O-N 2.98Å; N14-R187 VanDerWaalsContact ND2-CD 3.26Å; N14-R187 WeakPolarHBondContact ND2-CD 3.45Å | ||
| 15 | D | 75.1 | Confident | 69.9 | Low | 173 Ų | 173 | 99.4 Ų | 99.4 | 93% | 0.925 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -16 | -179 | -65 | -17.9 | 0 | 0 | 0 | 115.9 | ||
| 16 | N | 90.6 | Very high | 72.9 | Confident | 64 Ų | 64 | 90.3 Ų | 90.3 | 34% | 0.342 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -5.6 | -178.6 | -64.9 | -23.7 | 0 | 0 | 0 | 115.1 | N14 P191 L193 R194 I195 | N14-N16 PolarHBondContact O-N 2.85Å; N16-P191 PolarHBondContact ND2-O 3.14Å; N16-L193 WeakPolarHBondContact CB-O 3.47Å; N16-R194 WeakPolarHBondContact O-CA 3.37Å; N16-I195 PolarHBondContact O-N 2.88Å |
| 17 | V | 94.6 | Very high | 75.9 | Confident | 27 Ų | 27 | 90.1 Ų | 90.1 | 16% | 0.164 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 109.8 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | L13 N14 L183 I195 T197 | L13-V17 HydrophobicContact CB-CB 4.14Å; L13-V17 HydrophobicContact CB-CG1 4.37Å; L13-V17 HydrophobicContact CD1-CG1 4.14Å; L13-V17 HydrophobicContact CD2-CB 4.43Å; L13-V17 HydrophobicContact CD2-CG1 4.15Å; L13-V17 HydrophobicContact CG-CG1 4.46Å; N14-V17 PolarHBondContact O-N 2.98Å; V17-L183 HydrophobicContact CG1-CD1 4.41Å; V17-L183 HydrophobicContact CG1-CD2 4.5Å; V17-L183 HydrophobicContact CG2-CD2 4.38Å; V17-I195 CarbonylContact C-O 3.58Å; V17-I195 WeakPolarHBondContact CA-O 3.33Å; V17-I195 HydrophobicContact CG1-CB 4.42Å; V17-I195 HydrophobicContact CG2-CB 4.28Å; V17-I195 HydrophobicContact CG2-CD1 4.29Å; V17-T197 HydrophobicContact CG1-CG2 4.39Å |
| 18 | L | 95 | Very high | 78.9 | Confident | 48 Ų | 48 | 83.7 Ų | 83.7 | 25% | 0.251 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115.8 | 175.2 | -167.9 | 159.6 | 0 | 0 | 0 | 109.3 | E57 L61 I195 V196 T197 | L18-E57 HydrophobicContact CD1-CG 4.34Å; L18-E57 HydrophobicContact CD2-CG 3.45Å; L18-E57 VanDerWaalsContact CD2-CG 3.45Å; L18-L61 HydrophobicContact CD1-CD2 4.12Å; L18-I195 PolarHBondContact N-O 3.3Å; L18-V196 HydrophobicContact CB-CG2 4.4Å; L18-V196 HydrophobicContact CD2-CG1 4.24Å; L18-V196 WeakPolarHBondContact O-CA 3.46Å; L18-T197 PolarHBondContact O-N 3.31Å |
| 19 | T | 95.2 | Very high | 81.6 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.5 | 170 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | L13 T197 | L13-T19 VanDerWaalsContact CD1-OG1 3.26Å; L13-T19 WeakPolarHBondContact CD1-OG1 3.3Å; T19-T197 CarbonylContact C-O 3.5Å; T19-T197 WeakPolarHBondContact CA-O 3.28Å; T19-T197 HydrophobicContact CG2-CG2 4.49Å |
| 20 | L | 95.5 | Very high | 84.1 | Confident | 9 Ų | 9 | 72.6 Ų | 72.6 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | trans | -53.2 | 140.1 | 176.4 | -66.9 | -165.5 | 0 | 0 | 0 | 111.3 | M22 I26 L53 V54 E57 V196 T197 | L20-M22 PolarHBondContact O-N 2.86Å; L20-I26 HydrophobicContact CB-CD1 3.92Å; L20-I26 HydrophobicContact CD1-CD1 4.06Å; L20-L53 HydrophobicContact CD1-CB 3.94Å; L20-V54 HydrophobicContact CD1-CB 4.46Å; L20-V54 HydrophobicContact CD1-CG2 3.57Å; L20-V54 HydrophobicContact CG-CG2 4.15Å; L20-E57 HydrophobicContact CD2-CB 3.45Å; L20-E57 VanDerWaalsContact CD2-CB 3.45Å; L20-E57 HydrophobicContact CD2-CG 3.56Å; L20-V196 HydrophobicContact CD2-CG1 4.42Å; L20-T197 PolarHBondContact N-O 3.46Å | ||
| 21 | P | 93.1 | Very high | 86.3 | Confident | 94 Ų | 94 | 73.3 Ų | 73.3 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | trans | -59.3 | 108.8 | 175.7 | -24.3 | 34 | 0 | 0 | 0 | 111.5 | N23 I26 | P21-N23 PolarHBondContact O-N 2.91Å; P21-I26 WeakPolarHBondContact O-CD1 3.24Å | ||
| 22 | M | 93.2 | Very high | 89 | Confident | 99 Ų | 99 | 71 Ų | 71 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | trans | -64 | 123.4 | -175.7 | -173.5 | 56 | 66.5 | 0 | 0 | 111.6 | L20 I26 K27 Q30 | L20-M22 PolarHBondContact O-N 2.86Å; M22-I26 HydrophobicContact CE-CG2 4.16Å; M22-I26 HydrophobicContact SD-CB 4.25Å; M22-I26 HydrophobicContact SD-CG2 4.02Å; M22-K27 HydrophobicContact SD-CB 4.04Å; M22-Q30 VanDerWaalsContact CE-OE1 3.31Å | ||
| 23 | N | 94.8 | Very high | 91.5 | Very high | 76 Ų | 76 | 63.9 Ų | 63.9 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | trans | -137.3 | 169.9 | 173 | 63.3 | 50.8 | 0 | 0 | 0 | 109.9 | P21 Q25 I26 K27 | P21-N23 PolarHBondContact O-N 2.91Å; N23-Q25 PolarHBondContact O-N 2.85Å; N23-Q25 WeakPolarHBondContact OD1-CA 3.5Å; N23-Q25 VanDerWaalsContact OD1-CB 3.31Å; N23-Q25 WeakPolarHBondContact OD1-CB 2.85Å; N23-Q25 PolarHBondContact OD1-N 3.4Å; N23-I26 PolarHBondContact O-N 3.43Å; N23-I26 PolarHBondContact OD1-N 3.36Å; N23-K27 PolarHBondContact O-N 3.07Å | ||
| 24 | D | 97.4 | Very high | 93.4 | Very high | 139 Ų | 139 | 64.7 Ų | 64.7 | 74% | 0.743 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -28.1 | -175.6 | -67 | -24.1 | 0 | 0 | 0 | 112.7 | E28 | D24-E28 VanDerWaalsContact O-CB 3.31Å; D24-E28 WeakPolarHBondContact O-CB 3.08Å; D24-E28 PolarHBondContact O-N 2.87Å |
| 25 | Q | 97.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.3 | -47.3 | 175 | -77.7 | -67.1 | -69.1 | 0 | 0 | 112.3 | N23 K27 E28 L29 | N23-Q25 PolarHBondContact O-N 2.85Å; N23-Q25 WeakPolarHBondContact OD1-CA 3.5Å; N23-Q25 VanDerWaalsContact OD1-CB 3.31Å; N23-Q25 WeakPolarHBondContact OD1-CB 2.85Å; N23-Q25 PolarHBondContact OD1-N 3.4Å; Q25-K27 VanDerWaalsContact C-N 3.3Å; Q25-K27 PolarHBondContact O-N 2.69Å; Q25-E28 PolarHBondContact NE2-OE2 2.89Å; Q25-E28 PolarHBondContact O-N 3.21Å; Q25-L29 WeakPolarHBondContact O-CG 2.93Å; Q25-L29 PolarHBondContact O-N 2.87Å |
| 26 | I | 97.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.4 | -66.8 | 178.1 | 0 | 0 | 0 | 110.1 | L20 P21 M22 N23 E28 L29 Q30 L50 L53 | L20-I26 HydrophobicContact CB-CD1 3.92Å; L20-I26 HydrophobicContact CD1-CD1 4.06Å; P21-I26 WeakPolarHBondContact O-CD1 3.24Å; M22-I26 HydrophobicContact CE-CG2 4.16Å; M22-I26 HydrophobicContact SD-CB 4.25Å; M22-I26 HydrophobicContact SD-CG2 4.02Å; N23-I26 PolarHBondContact O-N 3.43Å; N23-I26 PolarHBondContact OD1-N 3.36Å; I26-E28 VanDerWaalsContact C-N 3.34Å; I26-E28 PolarHBondContact O-N 3.27Å; I26-L29 WeakPolarHBondContact O-CB 3.1Å; I26-L29 PolarHBondContact O-N 3.49Å; I26-Q30 HydrophobicContact CG2-CG 4.41Å; I26-Q30 WeakPolarHBondContact O-CG 3.33Å; I26-Q30 PolarHBondContact O-N 2.96Å; I26-L50 HydrophobicContact CG2-CD1 4.28Å; I26-L53 HydrophobicContact CG1-CD1 3.99Å |
| 27 | K | 97.2 | Very high | 96.4 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177.6 | -168.7 | 175.3 | -177.2 | 178.1 | 0 | 112.4 | M22 N23 Q25 Q30 T31 | M22-K27 HydrophobicContact SD-CB 4.04Å; N23-K27 PolarHBondContact O-N 3.07Å; Q25-K27 VanDerWaalsContact C-N 3.3Å; Q25-K27 PolarHBondContact O-N 2.69Å; K27-Q30 PolarHBondContact O-N 3.13Å; K27-T31 WeakPolarHBondContact O-CB 3.24Å; K27-T31 PolarHBondContact O-N 3.3Å; K27-T31 PolarHBondContact O-OG1 3.47Å |
| 28 | E | 98.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 173.5 | 180 | 179.2 | -149.4 | 0 | 0 | 111.3 | D24 Q25 I26 Q30 T31 I32 | D24-E28 VanDerWaalsContact O-CB 3.31Å; D24-E28 WeakPolarHBondContact O-CB 3.08Å; D24-E28 PolarHBondContact O-N 2.87Å; Q25-E28 PolarHBondContact NE2-OE2 2.89Å; Q25-E28 PolarHBondContact O-N 3.21Å; I26-E28 VanDerWaalsContact C-N 3.34Å; I26-E28 PolarHBondContact O-N 3.27Å; E28-Q30 PolarHBondContact O-N 3.41Å; E28-T31 WeakPolarHBondContact O-CB 3.33Å; E28-T31 PolarHBondContact O-N 3.49Å; E28-I32 HydrophobicContact CG-CD1 3.94Å; E28-I32 WeakPolarHBondContact O-CG1 3.33Å; E28-I32 PolarHBondContact O-N 2.74Å |
| 29 | L | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 176.8 | -64.6 | 176.3 | 0 | 0 | 0 | 111.6 | Q25 I26 T31 I32 I33 N46 R49 L50 L53 | Q25-L29 WeakPolarHBondContact O-CG 2.93Å; Q25-L29 PolarHBondContact O-N 2.87Å; I26-L29 WeakPolarHBondContact O-CB 3.1Å; I26-L29 PolarHBondContact O-N 3.49Å; L29-T31 VanDerWaalsContact C-N 3.32Å; L29-T31 PolarHBondContact O-N 3.39Å; L29-I32 PolarHBondContact O-N 3.09Å; L29-I33 WeakPolarHBondContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CD1 3.26Å; L29-I33 VanDerWaalsContact O-CG1 3.23Å; L29-I33 WeakPolarHBondContact O-CG1 3.37Å; L29-I33 PolarHBondContact O-N 3.35Å; L29-N46 HydrophobicContact CD2-CB 3.86Å; L29-N46 WeakPolarHBondContact CD2-OD1 3.21Å; L29-R49 HydrophobicContact CD1-CB 4.07Å; L29-R49 HydrophobicContact CD2-CB 3.89Å; L29-L50 HydrophobicContact CB-CB 4.43Å; L29-L50 HydrophobicContact CD1-CB 4.16Å; L29-L50 HydrophobicContact CD1-CD1 4.35Å; L29-L53 HydrophobicContact CD1-CD1 3.87Å |
| 30 | Q | 98 | Very high | 96.5 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -41.1 | 177.4 | -69.8 | 168.9 | -21.7 | 0 | 0 | 111.6 | M22 I26 K27 E28 I33 R34 L50 F177 S198 E199 | M22-Q30 VanDerWaalsContact CE-OE1 3.31Å; I26-Q30 HydrophobicContact CG2-CG 4.41Å; I26-Q30 WeakPolarHBondContact O-CG 3.33Å; I26-Q30 PolarHBondContact O-N 2.96Å; K27-Q30 PolarHBondContact O-N 3.13Å; E28-Q30 PolarHBondContact O-N 3.41Å; Q30-I33 PolarHBondContact O-N 2.92Å; Q30-R34 WeakPolarHBondContact O-CB 3.42Å; Q30-R34 WeakPolarHBondContact O-CG 3.43Å; Q30-R34 PolarHBondContact O-N 3Å; Q30-L50 HydrophobicContact CG-CD2 4.31Å; Q30-F177 HydrophobicContact CB-CE1 4.46Å; Q30-F177 HydrophobicContact CG-CE1 3.99Å; Q30-F177 HydrophobicContact CG-CZ 4.31Å; Q30-S198 PolarHBondContact NE2-O 2.96Å; Q30-S198 PolarHBondContact NE2-OG 3.31Å; Q30-S198 VanDerWaalsContact NE2-OG 3.15Å; Q30-E199 VanDerWaalsContact CD-OE2 3.3Å |
| 31 | T | 97.9 | Very high | 96.5 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | K27 E28 L29 I33 R34 D35 | K27-T31 WeakPolarHBondContact O-CB 3.24Å; K27-T31 PolarHBondContact O-N 3.3Å; K27-T31 PolarHBondContact O-OG1 3.47Å; E28-T31 WeakPolarHBondContact O-CB 3.33Å; E28-T31 PolarHBondContact O-N 3.49Å; L29-T31 VanDerWaalsContact C-N 3.32Å; L29-T31 PolarHBondContact O-N 3.39Å; T31-I33 PolarHBondContact O-N 2.93Å; T31-R34 PolarHBondContact O-N 2.74Å; T31-D35 PolarHBondContact O-N 2.73Å |
| 32 | I | 98 | Very high | 96.7 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 21% | 0.21 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 179.6 | -66.6 | 167.3 | 0 | 0 | 0 | 111.4 | E28 L29 R34 D35 T38 N46 | E28-I32 HydrophobicContact CG-CD1 3.94Å; E28-I32 WeakPolarHBondContact O-CG1 3.33Å; E28-I32 PolarHBondContact O-N 2.74Å; L29-I32 PolarHBondContact O-N 3.09Å; I32-R34 VanDerWaalsContact C-N 3.28Å; I32-R34 PolarHBondContact O-N 3.3Å; I32-D35 PolarHBondContact O-N 3.23Å; I32-T38 HydrophobicContact CG2-CG2 3.49Å; I32-T38 VanDerWaalsContact CG2-CG2 3.49Å; I32-T38 WeakPolarHBondContact O-CB 3.5Å; I32-T38 PolarHBondContact O-OG1 3.46Å; I32-N46 HydrophobicContact CB-CB 4.4Å; I32-N46 HydrophobicContact CG2-CB 4.04Å |
| 33 | I | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.8 | -71.8 | 164.5 | 0 | 0 | 0 | 110.9 | L29 Q30 T31 F43 A47 L50 F177 P205 H207 F208 | L29-I33 WeakPolarHBondContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CD1 3.26Å; L29-I33 VanDerWaalsContact O-CG1 3.23Å; L29-I33 WeakPolarHBondContact O-CG1 3.37Å; L29-I33 PolarHBondContact O-N 3.35Å; Q30-I33 PolarHBondContact O-N 2.92Å; T31-I33 PolarHBondContact O-N 2.93Å; I33-F43 HydrophobicContact CB-CE2 4.23Å; I33-F43 HydrophobicContact CG1-CE2 4.46Å; I33-F43 HydrophobicContact CG2-CE2 3.78Å; I33-F43 HydrophobicContact CG2-CZ 4.24Å; I33-F43 WeakPolarHBondContact O-CE2 3.38Å; I33-A47 HydrophobicContact CD1-CB 4.5Å; I33-L50 HydrophobicContact CD1-CB 4.14Å; I33-L50 HydrophobicContact CD1-CD2 3.57Å; I33-F177 HydrophobicContact CD1-CZ 4.3Å; I33-F177 HydrophobicContact CG2-CE2 4.1Å; I33-F177 HydrophobicContact CG2-CZ 3.99Å; I33-P205 HydrophobicContact CG2-CB 4.26Å; I33-P205 HydrophobicContact CG2-CG 4.1Å; I33-H207 PolarHBondContact O-NE2 2.98Å; I33-F208 HydrophobicContact CD1-CE2 4.43Å; I33-F208 HydrophobicContact CG2-CD2 3.68Å; I33-F208 HydrophobicContact CG2-CE2 4.06Å |
| 34 | R | 97.3 | Very high | 97 | Very high | 68 Ų | 68 | 63.9 Ų | 63.9 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -75.9 | -30.4 | -179.8 | -73.3 | 172.9 | 166.1 | -70.3 | 3.3 | 113.4 | Q30 T31 I32 V36 E199 D203 P205 | Q30-R34 WeakPolarHBondContact O-CB 3.42Å; Q30-R34 WeakPolarHBondContact O-CG 3.43Å; Q30-R34 PolarHBondContact O-N 3Å; T31-R34 PolarHBondContact O-N 2.74Å; I32-R34 VanDerWaalsContact C-N 3.28Å; I32-R34 PolarHBondContact O-N 3.3Å; R34-V36 PolarHBondContact O-N 3.45Å; R34-E199 IonicContact CZ-OE1 2.74Å; R34-E199 IonicContact NE-OE1 2.73Å; R34-E199 PolarHBondContact NE-OE1 3.47Å; R34-E199 IonicContact NE-OE2 2.68Å; R34-E199 IonicContact NH2-OE1 2.94Å; R34-E199 PolarHBondContact NH2-OE1 3.24Å; R34-E199 IonicContact NH2-OE2 3.41Å; R34-D203 PolarHBondContact NH1-O 3.38Å; R34-D203 PolarHBondContact NH2-O 2.79Å; R34-P205 HydrophobicContact CG-CB 4.21Å |
| 35 | D | 97 | Very high | 97 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | trans | -67.1 | 121 | -177.9 | -177 | 7.2 | 0 | 0 | 0 | 112.1 | T31 I32 N37 T38 K211 | T31-D35 PolarHBondContact O-N 2.73Å; I32-D35 PolarHBondContact O-N 3.23Å; D35-N37 PolarHBondContact O-N 3.08Å; D35-N37 WeakPolarHBondContact OD1-CB 3.24Å; D35-N37 PolarHBondContact OD1-N 3.36Å; D35-N37 PolarHBondContact OD1-ND2 3.42Å; D35-T38 WeakPolarHBondContact CB-OG1 3.37Å; D35-T38 WeakPolarHBondContact O-CB 3.43Å; D35-T38 PolarHBondContact O-N 3.25Å; D35-T38 PolarHBondContact O-OG1 3.21Å; D35-K211 PolarHBondContact O-NZ 2.91Å | ||
| 36 | V | 94.3 | Very high | 97.1 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 70% | 0.703 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.9 | 177.3 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | R34 K211 | R34-V36 PolarHBondContact O-N 3.45Å; V36-K211 PolarHBondContact O-NZ 3.34Å; V36-K211 VanDerWaalsContact O-NZ 3.14Å |
| 37 | N | 96 | Very high | 97.1 | Very high | 139 Ų | 139 | 58.8 Ų | 58.8 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.7 | -177 | -54 | -67.7 | 0 | 0 | 0 | 113.7 | D35 S39 | D35-N37 PolarHBondContact O-N 3.08Å; D35-N37 WeakPolarHBondContact OD1-CB 3.24Å; D35-N37 PolarHBondContact OD1-N 3.36Å; D35-N37 PolarHBondContact OD1-ND2 3.42Å; N37-S39 PolarHBondContact O-N 3.23Å |
| 38 | T | 96.9 | Very high | 97.1 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -57.2 | 131.5 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | I32 D35 D42 F43 K211 | I32-T38 HydrophobicContact CG2-CG2 3.49Å; I32-T38 VanDerWaalsContact CG2-CG2 3.49Å; I32-T38 WeakPolarHBondContact O-CB 3.5Å; I32-T38 PolarHBondContact O-OG1 3.46Å; D35-T38 WeakPolarHBondContact CB-OG1 3.37Å; D35-T38 WeakPolarHBondContact O-CB 3.43Å; D35-T38 PolarHBondContact O-N 3.25Å; D35-T38 PolarHBondContact O-OG1 3.21Å; T38-D42 HydrophobicContact CG2-CB 3.73Å; T38-F43 HydrophobicContact CG2-CB 3.92Å; T38-K211 WeakPolarHBondContact O-CE 3.31Å; T38-K211 PolarHBondContact O-NZ 3.24Å |
| 39 | S | 96 | Very high | 97.1 | Very high | 47 Ų | 47 | 56 Ų | 56 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | trans | -61.8 | 155.5 | 175.7 | 77 | 0 | 0 | 0 | 0 | 111.5 | N37 S41 D42 F43 | N37-S39 PolarHBondContact O-N 3.23Å; S39-S41 PolarHBondContact O-N 2.77Å; S39-S41 PolarHBondContact OG-OG 3.19Å; S39-D42 PolarHBondContact O-N 3.27Å; S39-D42 WeakPolarHBondContact OG-CB 3.4Å; S39-D42 PolarHBondContact OG-N 3.29Å; S39-D42 VanDerWaalsContact OG-N 3.09Å; S39-D42 PolarHBondContact OG-OD2 3.32Å; S39-F43 WeakPolarHBondContact O-CB 3.48Å; S39-F43 PolarHBondContact O-N 3.39Å | ||
| 40 | S | 94.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 56 Ų | 56 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.7 | -35.5 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | L44 | S40-L44 WeakPolarHBondContact O-CB 3.41Å; S40-L44 PolarHBondContact O-N 2.9Å |
| 41 | S | 95.7 | Very high | 97.2 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 60% | 0.601 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.6 | -45.2 | 177.3 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | S39 F43 L44 F45 | S39-S41 PolarHBondContact O-N 2.77Å; S39-S41 PolarHBondContact OG-OG 3.19Å; S41-F43 VanDerWaalsContact C-N 3.34Å; S41-L44 PolarHBondContact O-N 3.44Å; S41-F45 WeakPolarHBondContact O-CB 3.43Å; S41-F45 PolarHBondContact O-N 2.91Å |
| 42 | D | 97.1 | Very high | 97.2 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.7 | -37 | 179.6 | -63.5 | -37.4 | 0 | 0 | 0 | 110.8 | T38 S39 N46 | T38-D42 HydrophobicContact CG2-CB 3.73Å; S39-D42 PolarHBondContact O-N 3.27Å; S39-D42 WeakPolarHBondContact OG-CB 3.4Å; S39-D42 PolarHBondContact OG-N 3.29Å; S39-D42 VanDerWaalsContact OG-N 3.09Å; S39-D42 PolarHBondContact OG-OD2 3.32Å; D42-N46 WeakPolarHBondContact O-CB 3.34Å; D42-N46 PolarHBondContact O-N 3.1Å; D42-N46 PolarHBondContact O-ND2 2.88Å |
| 43 | F | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -52.7 | 174.3 | 179.1 | -84.6 | 0 | 0 | 0 | 110.7 | I33 T38 S39 S41 F45 N46 A47 F208 K211 Y212 | I33-F43 HydrophobicContact CB-CE2 4.23Å; I33-F43 HydrophobicContact CG1-CE2 4.46Å; I33-F43 HydrophobicContact CG2-CE2 3.78Å; I33-F43 HydrophobicContact CG2-CZ 4.24Å; I33-F43 WeakPolarHBondContact O-CE2 3.38Å; T38-F43 HydrophobicContact CG2-CB 3.92Å; S39-F43 WeakPolarHBondContact O-CB 3.48Å; S39-F43 PolarHBondContact O-N 3.39Å; S41-F43 VanDerWaalsContact C-N 3.34Å; F43-F45 VanDerWaalsContact C-N 3.34Å; F43-F45 PolarHBondContact O-N 3.37Å; F43-N46 PolarHBondContact O-N 3.06Å; F43-A47 HydrophobicContact CD1-CB 4.46Å; F43-A47 HydrophobicContact CE1-CB 4.15Å; F43-A47 WeakPolarHBondContact O-CB 3.44Å; F43-A47 PolarHBondContact O-N 2.91Å; F43-F208 HydrophobicContact CZ-CB 4.39Å; F43-F208 AromaticContact CZ-CD2 3.77Å; F43-F208 HydrophobicContact CZ-CD2 3.77Å; F43-F208 HydrophobicContact CZ-CE2 4.13Å; F43-F208 HydrophobicContact CZ-CG 4.03Å; F43-F208 WeakPolarHBondContact CZ-O 3.4Å; F43-K211 HydrophobicContact CB-CD 4.22Å; F43-K211 HydrophobicContact CB-CG 4.13Å; F43-K211 HydrophobicContact CD1-CB 4.09Å; F43-K211 HydrophobicContact CD1-CD 4.42Å; F43-K211 HydrophobicContact CD1-CG 3.8Å; F43-K211 HydrophobicContact CD2-CB 4.27Å; F43-K211 HydrophobicContact CD2-CD 3.43Å; F43-K211 VanDerWaalsContact CD2-CD 3.43Å; F43-K211 HydrophobicContact CD2-CG 3.75Å; F43-K211 HydrophobicContact CE1-CB 3.95Å; F43-K211 HydrophobicContact CE1-CG 4.17Å; F43-K211 HydrophobicContact CE2-CB 4.08Å; F43-K211 HydrophobicContact CE2-CD 3.85Å; F43-K211 HydrophobicContact CE2-CG 4.08Å; F43-K211 HydrophobicContact CG-CB 4.27Å; F43-K211 HydrophobicContact CG-CD 3.76Å; F43-K211 HydrophobicContact CG-CG 3.6Å; F43-K211 HydrophobicContact CZ-CB 3.95Å; F43-K211 HydrophobicContact CZ-CG 4.31Å; F43-Y212 HydrophobicContact CE1-CD2 4.3Å |
| 44 | L | 96.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 57 Ų | 57 | 37% | 0.372 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | -178.9 | -177.9 | 62.6 | 0 | 0 | 0 | 111.3 | S40 S41 N46 A47 D48 Y212 | S40-L44 WeakPolarHBondContact O-CB 3.41Å; S40-L44 PolarHBondContact O-N 2.9Å; S41-L44 PolarHBondContact O-N 3.44Å; L44-N46 PolarHBondContact O-N 2.82Å; L44-A47 PolarHBondContact O-N 3.04Å; L44-D48 WeakPolarHBondContact O-CB 3.29Å; L44-D48 PolarHBondContact O-N 3.08Å; L44-Y212 HydrophobicContact CD1-CD1 4.36Å; L44-Y212 HydrophobicContact CD1-CD2 3.8Å; L44-Y212 HydrophobicContact CD1-CE1 4.02Å; L44-Y212 HydrophobicContact CD1-CE2 3.4Å; L44-Y212 VanDerWaalsContact CD1-CE2 3.4Å; L44-Y212 HydrophobicContact CD1-CG 4.26Å |
| 45 | F | 97.4 | Very high | 97.2 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 54% | 0.544 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 177.9 | 176 | -101.7 | 0 | 0 | 0 | 112.3 | S41 F43 R49 | S41-F45 WeakPolarHBondContact O-CB 3.43Å; S41-F45 PolarHBondContact O-N 2.91Å; F43-F45 VanDerWaalsContact C-N 3.34Å; F43-F45 PolarHBondContact O-N 3.37Å; F45-R49 VanDerWaalsContact CE1-CD 3.44Å; F45-R49 WeakPolarHBondContact O-CG 3.37Å; F45-R49 PolarHBondContact O-N 3Å; F45-R49 VanDerWaalsContact O-N 3.15Å |
| 46 | N | 98.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.7 | -32.3 | -178.2 | -70.9 | -72 | 0 | 0 | 0 | 112.6 | L29 I32 D42 F43 L44 R49 L50 | L29-N46 HydrophobicContact CD2-CB 3.86Å; L29-N46 WeakPolarHBondContact CD2-OD1 3.21Å; I32-N46 HydrophobicContact CB-CB 4.4Å; I32-N46 HydrophobicContact CG2-CB 4.04Å; D42-N46 WeakPolarHBondContact O-CB 3.34Å; D42-N46 PolarHBondContact O-N 3.1Å; D42-N46 PolarHBondContact O-ND2 2.88Å; F43-N46 PolarHBondContact O-N 3.06Å; L44-N46 PolarHBondContact O-N 2.82Å; N46-R49 PolarHBondContact O-N 3.08Å; N46-R49 PolarHBondContact OD1-NH1 2.76Å; N46-L50 PolarHBondContact O-N 2.86Å |
| 47 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I33 F43 L44 R49 L50 I51 F208 Y212 | I33-A47 HydrophobicContact CD1-CB 4.5Å; F43-A47 HydrophobicContact CD1-CB 4.46Å; F43-A47 HydrophobicContact CE1-CB 4.15Å; F43-A47 WeakPolarHBondContact O-CB 3.44Å; F43-A47 PolarHBondContact O-N 2.91Å; L44-A47 PolarHBondContact O-N 3.04Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.11Å; A47-L50 PolarHBondContact O-N 3.45Å; A47-I51 WeakPolarHBondContact O-CB 3.02Å; A47-I51 VanDerWaalsContact O-CG1 3.23Å; A47-I51 WeakPolarHBondContact O-CG1 3.06Å; A47-I51 PolarHBondContact O-N 3.28Å; A47-F208 HydrophobicContact CB-CE2 3.98Å; A47-F208 HydrophobicContact CB-CZ 3.87Å; A47-Y212 HydrophobicContact CB-CD2 4.01Å; A47-Y212 HydrophobicContact CB-CE2 4.17Å |
| 48 | D | 98.2 | Very high | 97.3 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 176.4 | -90.4 | 6.9 | 0 | 0 | 0 | 112 | L44 I51 R52 K100 Y212 | L44-D48 WeakPolarHBondContact O-CB 3.29Å; L44-D48 PolarHBondContact O-N 3.08Å; D48-I51 PolarHBondContact O-N 3.02Å; D48-R52 PolarHBondContact O-N 3Å; D48-K100 IonicContact OD2-NZ 3.44Å; D48-K100 PolarHBondContact OD2-NZ 2.97Å; D48-Y212 PolarHBondContact OD1-OH 3Å; D48-Y212 VanDerWaalsContact OD1-OH 3.05Å |
| 49 | R | 98.2 | Very high | 97.2 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 175 | -73.7 | 176.8 | 71 | -157.1 | 2.1 | 111.9 | L29 F45 N46 A47 R52 L53 | L29-R49 HydrophobicContact CD1-CB 4.07Å; L29-R49 HydrophobicContact CD2-CB 3.89Å; F45-R49 VanDerWaalsContact CE1-CD 3.44Å; F45-R49 WeakPolarHBondContact O-CG 3.37Å; F45-R49 PolarHBondContact O-N 3Å; F45-R49 VanDerWaalsContact O-N 3.15Å; N46-R49 PolarHBondContact O-N 3.08Å; N46-R49 PolarHBondContact OD1-NH1 2.76Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.11Å; R49-R52 PolarHBondContact O-N 3.42Å; R49-L53 WeakPolarHBondContact O-CG 3.26Å; R49-L53 PolarHBondContact O-N 2.92Å |
| 50 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.3 | -43.1 | 178.4 | -175.3 | 61.2 | 0 | 0 | 0 | 111.4 | I26 L29 Q30 I33 N46 A47 R52 L53 V54 L176 F177 | I26-L50 HydrophobicContact CG2-CD1 4.28Å; L29-L50 HydrophobicContact CB-CB 4.43Å; L29-L50 HydrophobicContact CD1-CB 4.16Å; L29-L50 HydrophobicContact CD1-CD1 4.35Å; Q30-L50 HydrophobicContact CG-CD2 4.31Å; I33-L50 HydrophobicContact CD1-CB 4.14Å; I33-L50 HydrophobicContact CD1-CD2 3.57Å; N46-L50 PolarHBondContact O-N 2.86Å; A47-L50 PolarHBondContact O-N 3.45Å; L50-R52 VanDerWaalsContact C-N 3.29Å; L50-R52 PolarHBondContact O-N 3Å; L50-L53 PolarHBondContact O-N 2.66Å; L50-V54 PolarHBondContact O-N 3.09Å; L50-L176 HydrophobicContact CG-CD2 4.37Å; L50-F177 HydrophobicContact CD2-CE2 4.1Å; L50-F177 HydrophobicContact CD2-CZ 3.72Å |
| 51 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.5 | -45.5 | 174.7 | -72.3 | 165.2 | 0 | 0 | 0 | 110.4 | A47 D48 L53 V54 I55 V97 M98 L176 F208 Y212 | A47-I51 WeakPolarHBondContact O-CB 3.02Å; A47-I51 VanDerWaalsContact O-CG1 3.23Å; A47-I51 WeakPolarHBondContact O-CG1 3.06Å; A47-I51 PolarHBondContact O-N 3.28Å; D48-I51 PolarHBondContact O-N 3.02Å; I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 3.15Å; I51-V54 PolarHBondContact O-N 3.46Å; I51-I55 HydrophobicContact CG2-CD1 3.56Å; I51-I55 HydrophobicContact CG2-CG1 4.26Å; I51-I55 WeakPolarHBondContact O-CB 3.45Å; I51-I55 VanDerWaalsContact O-CG1 3.26Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.01Å; I51-V97 HydrophobicContact CD1-CG2 4.25Å; I51-M98 HydrophobicContact CG1-CG 4.45Å; I51-M98 HydrophobicContact CG2-CB 4.29Å; I51-L176 HydrophobicContact CD1-CD1 4.44Å; I51-L176 HydrophobicContact CG1-CD1 3.76Å; I51-L176 HydrophobicContact CG1-CD2 4.05Å; I51-L176 HydrophobicContact CG1-CG 4.47Å; I51-F208 HydrophobicContact CD1-CZ 4.41Å; I51-Y212 HydrophobicContact CD1-CE2 4.1Å |
| 52 | R | 98.1 | Very high | 97 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 32% | 0.317 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 178.1 | -179.5 | 58.8 | 178.6 | -132.1 | 12.4 | 111.7 | D48 R49 L50 I55 E56 C105 | D48-R52 PolarHBondContact O-N 3Å; R49-R52 PolarHBondContact O-N 3.42Å; L50-R52 VanDerWaalsContact C-N 3.29Å; L50-R52 PolarHBondContact O-N 3Å; R52-I55 PolarHBondContact O-N 3.45Å; R52-E56 HydrophobicContact CG-CG 4.45Å; R52-E56 IonicContact CZ-OE1 2.82Å; R52-E56 IonicContact NE-OE1 2.86Å; R52-E56 PolarHBondContact NE-OE1 3.07Å; R52-E56 IonicContact NH2-OE1 3.71Å; R52-E56 PolarHBondContact NH2-OE1 3.18Å; R52-E56 VanDerWaalsContact O-CG 3.24Å; R52-E56 WeakPolarHBondContact O-CG 3.37Å; R52-E56 PolarHBondContact O-N 3.37Å; R52-C105 WeakPolarHBondContact CD-SG 3.23Å; R52-C105 PolarHBondContact NE-SG 3.4Å |
| 53 | L | 98 | Very high | 96.7 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 39% | 0.387 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.7 | -46.8 | -179.6 | -64.9 | 172.9 | 0 | 0 | 0 | 112 | L20 I26 L29 R49 L50 I51 I55 E56 E57 | L20-L53 HydrophobicContact CD1-CB 3.94Å; I26-L53 HydrophobicContact CG1-CD1 3.99Å; L29-L53 HydrophobicContact CD1-CD1 3.87Å; R49-L53 WeakPolarHBondContact O-CG 3.26Å; R49-L53 PolarHBondContact O-N 2.92Å; L50-L53 PolarHBondContact O-N 2.66Å; I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 3.15Å; L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 PolarHBondContact O-N 3.47Å; L53-E56 PolarHBondContact O-N 2.95Å; L53-E57 PolarHBondContact O-N 3.38Å; L53-E57 VanDerWaalsContact O-N 3.13Å |
| 54 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L20 L50 I51 E57 S58 V174 N175 L176 V196 | L20-V54 HydrophobicContact CD1-CB 4.46Å; L20-V54 HydrophobicContact CD1-CG2 3.57Å; L20-V54 HydrophobicContact CG-CG2 4.15Å; L50-V54 PolarHBondContact O-N 3.09Å; I51-V54 PolarHBondContact O-N 3.46Å; V54-E57 PolarHBondContact O-N 3.18Å; V54-S58 WeakPolarHBondContact O-CB 3.07Å; V54-S58 PolarHBondContact O-N 3.27Å; V54-S58 PolarHBondContact O-OG 2.82Å; V54-V174 HydrophobicContact CG1-CG1 3.65Å; V54-N175 VanDerWaalsContact CG1-O 3.25Å; V54-N175 WeakPolarHBondContact CG1-O 3.31Å; V54-L176 HydrophobicContact CB-CD2 3.99Å; V54-L176 HydrophobicContact CG1-CD2 4.26Å; V54-L176 HydrophobicContact CG2-CD2 3.69Å; V54-V196 HydrophobicContact CG1-CG1 4.09Å |
| 55 | I | 97.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -46.9 | 178.5 | -72.8 | 178.7 | 0 | 0 | 0 | 111.4 | I51 R52 L53 E57 S58 L59 M98 G101 L102 C105 V174 | I51-I55 HydrophobicContact CG2-CD1 3.56Å; I51-I55 HydrophobicContact CG2-CG1 4.26Å; I51-I55 WeakPolarHBondContact O-CB 3.45Å; I51-I55 VanDerWaalsContact O-CG1 3.26Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.01Å; R52-I55 PolarHBondContact O-N 3.45Å; L53-I55 VanDerWaalsContact C-N 3.33Å; L53-I55 PolarHBondContact O-N 3.47Å; I55-E57 VanDerWaalsContact C-N 3.26Å; I55-E57 PolarHBondContact O-N 3.3Å; I55-S58 WeakPolarHBondContact O-CB 3.19Å; I55-S58 PolarHBondContact O-N 3.38Å; I55-S58 VanDerWaalsContact O-N 3.08Å; I55-L59 HydrophobicContact CG2-CD1 4.15Å; I55-L59 HydrophobicContact CG2-CG 4.37Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.46Å; I55-L59 PolarHBondContact O-N 3.46Å; I55-M98 WeakPolarHBondContact CD1-O 3.37Å; I55-G101 VanDerWaalsContact CD1-C 3.49Å; I55-L102 HydrophobicContact CD1-CB 4Å; I55-L102 HydrophobicContact CG2-CD1 4.16Å; I55-C105 HydrophobicContact CG2-CB 4.15Å; I55-V174 HydrophobicContact CG1-CG1 4.17Å |
| 56 | E | 96.5 | Very high | 96.2 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 177.1 | -67.7 | -77.8 | -164.8 | 0 | 0 | 110.9 | R52 L53 S58 L59 N60 | R52-E56 HydrophobicContact CG-CG 4.45Å; R52-E56 IonicContact CZ-OE1 2.82Å; R52-E56 IonicContact NE-OE1 2.86Å; R52-E56 PolarHBondContact NE-OE1 3.07Å; R52-E56 IonicContact NH2-OE1 3.71Å; R52-E56 PolarHBondContact NH2-OE1 3.18Å; R52-E56 VanDerWaalsContact O-CG 3.24Å; R52-E56 WeakPolarHBondContact O-CG 3.37Å; R52-E56 PolarHBondContact O-N 3.37Å; L53-E56 PolarHBondContact O-N 2.95Å; E56-S58 VanDerWaalsContact C-N 3.34Å; E56-S58 PolarHBondContact O-N 3.45Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-N60 PolarHBondContact O-N 2.86Å |
| 57 | E | 96.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 175.9 | -166.4 | 64.7 | -169.2 | 0 | 0 | 112.5 | L18 L20 L53 V54 I55 L59 N60 V196 | L18-E57 HydrophobicContact CD1-CG 4.34Å; L18-E57 HydrophobicContact CD2-CG 3.45Å; L18-E57 VanDerWaalsContact CD2-CG 3.45Å; L20-E57 HydrophobicContact CD2-CB 3.45Å; L20-E57 VanDerWaalsContact CD2-CB 3.45Å; L20-E57 HydrophobicContact CD2-CG 3.56Å; L53-E57 PolarHBondContact O-N 3.38Å; L53-E57 VanDerWaalsContact O-N 3.13Å; V54-E57 PolarHBondContact O-N 3.18Å; I55-E57 VanDerWaalsContact C-N 3.26Å; I55-E57 PolarHBondContact O-N 3.3Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 3.38Å; E57-N60 WeakPolarHBondContact O-CB 3.44Å; E57-N60 PolarHBondContact O-N 3.41Å; E57-N60 PolarHBondContact OE2-ND2 3.5Å; E57-V196 HydrophobicContact CB-CG1 4.27Å; E57-V196 HydrophobicContact CG-CG1 4.27Å |
| 58 | S | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -32.1 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | V54 I55 E56 N60 L61 V196 | V54-S58 WeakPolarHBondContact O-CB 3.07Å; V54-S58 PolarHBondContact O-N 3.27Å; V54-S58 PolarHBondContact O-OG 2.82Å; I55-S58 WeakPolarHBondContact O-CB 3.19Å; I55-S58 PolarHBondContact O-N 3.38Å; I55-S58 VanDerWaalsContact O-N 3.08Å; E56-S58 VanDerWaalsContact C-N 3.34Å; E56-S58 PolarHBondContact O-N 3.45Å; S58-N60 VanDerWaalsContact C-N 3.28Å; S58-N60 PolarHBondContact O-N 2.94Å; S58-L61 PolarHBondContact O-N 2.74Å; S58-V196 WeakPolarHBondContact OG-CB 3.36Å |
| 59 | L | 95.3 | Very high | 96 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.4 | -27.2 | 175.7 | -67.9 | 171.9 | 0 | 0 | 0 | 112.1 | I55 E56 E57 L61 L62 Y64 F82 C105 M109 L142 | I55-L59 HydrophobicContact CG2-CD1 4.15Å; I55-L59 HydrophobicContact CG2-CG 4.37Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.46Å; I55-L59 PolarHBondContact O-N 3.46Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.93Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 3.38Å; L59-L61 PolarHBondContact O-N 3.28Å; L59-L62 HydrophobicContact CD2-CD1 3.6Å; L59-L62 WeakPolarHBondContact O-CB 3.23Å; L59-L62 PolarHBondContact O-N 3.13Å; L59-Y64 PolarHBondContact O-OH 3.05Å; L59-F82 HydrophobicContact CB-CE1 4.18Å; L59-F82 HydrophobicContact CB-CZ 4.07Å; L59-C105 HydrophobicContact CD1-CB 3.52Å; L59-M109 HydrophobicContact CD2-CE 4.49Å; L59-L142 HydrophobicContact CD2-CD1 3.87Å |
| 60 | N | 93.6 | Very high | 96 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.6 | 174 | -68.1 | -30.6 | 0 | 0 | 0 | 113 | E56 E57 S58 | E56-N60 PolarHBondContact O-N 2.86Å; E57-N60 WeakPolarHBondContact O-CB 3.44Å; E57-N60 PolarHBondContact O-N 3.41Å; E57-N60 PolarHBondContact OE2-ND2 3.5Å; S58-N60 VanDerWaalsContact C-N 3.28Å; S58-N60 PolarHBondContact O-N 2.94Å |
| 61 | L | 93.3 | Very high | 95.9 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -6.7 | 179.4 | -61 | -174.8 | 0 | 0 | 0 | 113.9 | L18 S58 L59 I172 R194 V196 | L18-L61 HydrophobicContact CD1-CD2 4.12Å; S58-L61 PolarHBondContact O-N 2.74Å; L59-L61 PolarHBondContact O-N 3.28Å; L61-I172 HydrophobicContact CB-CD1 3.66Å; L61-I172 HydrophobicContact CB-CG1 4.28Å; L61-I172 HydrophobicContact CD1-CG2 4.08Å; L61-R194 PolarHBondContact O-NH1 3.08Å; L61-R194 PolarHBondContact O-NH2 2.66Å; L61-V196 HydrophobicContact CD1-CG2 3.41Å; L61-V196 VanDerWaalsContact CD1-CG2 3.41Å; L61-V196 HydrophobicContact CG-CG2 4.47Å |
| 62 | L | 93.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -77.5 | 154.9 | 175.2 | -66.4 | 175.4 | 0 | 0 | 0 | 111 | L59 Y64 F82 N86 H140 L142 I172 | L59-L62 HydrophobicContact CD2-CD1 3.6Å; L59-L62 WeakPolarHBondContact O-CB 3.23Å; L59-L62 PolarHBondContact O-N 3.13Å; L62-Y64 WeakPolarHBondContact O-CD2 3.26Å; L62-Y64 WeakPolarHBondContact O-CE2 3.37Å; L62-Y64 PolarHBondContact O-N 3.01Å; L62-F82 HydrophobicContact CB-CD1 4.39Å; L62-F82 HydrophobicContact CB-CE1 4.37Å; L62-F82 HydrophobicContact CD1-CE1 4.31Å; L62-N86 HydrophobicContact CD1-CB 4.09Å; L62-N86 HydrophobicContact CD2-CB 4.49Å; L62-H140 HydrophobicContact CD2-CB 3.71Å; L62-L142 HydrophobicContact CD1-CD1 4.46Å; L62-L142 HydrophobicContact CD2-CD2 4.27Å; L62-L142 HydrophobicContact CG-CD2 4.49Å; L62-I172 HydrophobicContact CD2-CD1 3.78Å; L62-I172 HydrophobicContact CG-CD1 4.31Å |
| 63 | P | 91.7 | Very high | 95.8 | Very high | 42 Ų | 42 | 63.6 Ų | 63.6 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | trans | -67.3 | 135.2 | 177.6 | 27.1 | -35.8 | 0 | 0 | 0 | 112.2 | S83 | P63-S83 WeakPolarHBondContact O-CB 3.33Å; P63-S83 PolarHBondContact O-N 3.14Å; P63-S83 PolarHBondContact O-OG 2.6Å | ||
| 64 | Y | 93 | Very high | 95.7 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 153 | 169.6 | -67.3 | -103.9 | 0 | 0 | 0 | 110.2 | L59 L62 V80 R81 F82 | L59-Y64 PolarHBondContact O-OH 3.05Å; L62-Y64 WeakPolarHBondContact O-CD2 3.26Å; L62-Y64 WeakPolarHBondContact O-CE2 3.37Å; L62-Y64 PolarHBondContact O-N 3.01Å; Y64-V80 HydrophobicContact CD1-CB 4.34Å; Y64-V80 HydrophobicContact CD1-CG2 3.99Å; Y64-R81 CarbonylContact C-O 3.53Å; Y64-R81 VanDerWaalsContact CA-O 3.24Å; Y64-R81 WeakPolarHBondContact CA-O 3.4Å; Y64-F82 HydrophobicContact CD1-CD1 4.17Å; Y64-F82 HydrophobicContact CD1-CG 4.19Å; Y64-F82 AromaticContact CE1-CD1 3.56Å; Y64-F82 HydrophobicContact CE1-CD1 3.56Å; Y64-F82 AromaticContact CE1-CD2 3.8Å; Y64-F82 HydrophobicContact CE1-CD2 3.8Å; Y64-F82 AromaticContact CE1-CE1 3.58Å; Y64-F82 HydrophobicContact CE1-CE1 3.58Å; Y64-F82 AromaticContact CE1-CE2 3.78Å; Y64-F82 HydrophobicContact CE1-CE2 3.78Å; Y64-F82 AromaticContact CE1-CG 3.7Å; Y64-F82 HydrophobicContact CE1-CG 3.7Å; Y64-F82 AromaticContact CE1-CZ 3.69Å; Y64-F82 HydrophobicContact CE1-CZ 3.69Å; Y64-F82 HydrophobicContact CE2-CD1 4.06Å; Y64-F82 AromaticContact CE2-CE1 3.83Å; Y64-F82 HydrophobicContact CE2-CE1 3.83Å; Y64-F82 HydrophobicContact CE2-CZ 4.5Å; Y64-F82 AromaticContact CZ-CD1 3.52Å; Y64-F82 AromaticContact CZ-CE1 3.14Å; Y64-F82 AromaticContact CZ-CZ 3.44Å; Y64-F82 VanDerWaalsContact CZ-CZ 3.44Å; Y64-F82 WeakPolarHBondContact OH-CE1 3.41Å; Y64-F82 WeakPolarHBondContact OH-CZ 3.3Å |
| 65 | S | 93.3 | Very high | 95.6 | Very high | 46 Ų | 46 | 69 Ų | 69 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.1 | 170.2 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | W67 V80 R81 | S65-W67 PolarHBondContact O-N 2.93Å; S65-V80 CarbonylContact O-C 3.48Å; S65-V80 VanDerWaalsContact O-CA 3.3Å; S65-V80 WeakPolarHBondContact O-CA 3.49Å; S65-R81 PolarHBondContact N-O 2.99Å; S65-R81 PolarHBondContact O-N 2.91Å |
| 66 | P | 95.8 | Very high | 95.6 | Very high | 117 Ų | 117 | 74 Ų | 74 | 76% | 0.76 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55 | 136.2 | 170.7 | -25 | 34.5 | 0 | 0 | 0 | 111 | ||
| 67 | W | 95.9 | Very high | 95.7 | Very high | 126 Ų | 126 | 77.1 Ų | 77.1 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 120 | -179.7 | -172.7 | -96.8 | 0 | 0 | 0 | 110.3 | S65 G79 R81 | S65-W67 PolarHBondContact O-N 2.93Å; W67-G79 PolarHBondContact N-O 3.04Å; W67-G79 CarbonylContact O-C 3.19Å; W67-G79 VanDerWaalsContact O-CA 3.28Å; W67-G79 WeakPolarHBondContact O-CA 3.38Å; W67-G79 PolarHBondContact O-N 3.06Å; W67-R81 HydrophobicContact CB-CB 3.76Å; W67-R81 HydrophobicContact CD2-CB 4.48Å; W67-R81 HydrophobicContact CG-CB 4.03Å |
| 68 | T | 96.5 | Very high | 95.8 | Very high | 83 Ų | 83 | 83 Ų | 83 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.1 | -178.8 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | V76 Y77 | T68-V76 HydrophobicContact CG2-CG1 3.3Å; T68-Y77 WeakPolarHBondContact CA-O 3.38Å |
| 69 | V | 97.3 | Very high | 95.8 | Very high | 63 Ų | 63 | 83.7 Ų | 83.7 | 38% | 0.382 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.2 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | Y77 | V69-Y77 HydrophobicContact CG2-CD1 4.01Å; V69-Y77 HydrophobicContact CG2-CG 4.48Å; V69-Y77 PolarHBondContact N-O 2.84Å; V69-Y77 PolarHBondContact O-N 2.82Å |
| 70 | E | 98 | Very high | 95.7 | Very high | 138 Ų | 138 | 88.4 Ų | 88.4 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.4 | 166.9 | -169.9 | 179.3 | 161 | 0 | 0 | 109.1 | S74 N75 | E70-S74 WeakPolarHBondContact OE1-CA 3.45Å; E70-S74 PolarHBondContact OE1-OG 2.85Å; E70-S74 VanDerWaalsContact OE1-OG 3.11Å; E70-N75 WeakPolarHBondContact CA-O 3.46Å |
| 71 | T | 97.5 | Very high | 95.6 | Very high | 38 Ų | 38 | 90.3 Ų | 90.3 | 23% | 0.233 | 48% | 0.483 | C | S | . | . | trans | -79.3 | 162.6 | 176.1 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | T73 S74 N75 | T71-T73 PolarHBondContact O-N 3.1Å; T71-T73 PolarHBondContact OG1-N 3.13Å; T71-T73 PolarHBondContact OG1-OG1 3.44Å; T71-S74 PolarHBondContact O-N 2.83Å; T71-N75 HydrophobicContact CG2-CB 4.37Å; T71-N75 PolarHBondContact N-O 2.83Å; T71-N75 WeakPolarHBondContact OG1-CB 3.35Å; T71-N75 PolarHBondContact OG1-N 2.86Å; T71-N75 VanDerWaalsContact OG1-N 3.08Å; T71-N75 PolarHBondContact OG1-O 3.16Å | ||
| 72 | P | 97.5 | Very high | 95.3 | Very high | 142 Ų | 142 | 92.2 Ų | 92.2 | 92% | 0.922 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -11.6 | 172.2 | -26.1 | 35.8 | 0 | 0 | 0 | 115.2 | ||
| 73 | T | 97.2 | Very high | 94.9 | Very high | 102 Ų | 102 | 93.6 Ų | 93.6 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 16.2 | 174.9 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | T71 N75 | T71-T73 PolarHBondContact O-N 3.1Å; T71-T73 PolarHBondContact OG1-N 3.13Å; T71-T73 PolarHBondContact OG1-OG1 3.44Å; T73-N75 PolarHBondContact O-N 3.34Å; T73-N75 PolarHBondContact OG1-ND2 3.4Å |
| 74 | S | 95.3 | Very high | 94.4 | Very high | 86 Ų | 86 | 98.3 Ų | 98.3 | 60% | 0.601 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 57.5 | 25.5 | -176.3 | -64 | 0 | 0 | 0 | 0 | 115.4 | E70 T71 | E70-S74 WeakPolarHBondContact OE1-CA 3.45Å; E70-S74 PolarHBondContact OE1-OG 2.85Å; E70-S74 VanDerWaalsContact OE1-OG 3.11Å; T71-S74 PolarHBondContact O-N 2.83Å |
| 75 | N | 97 | Very high | 93.9 | Very high | 102 Ų | 102 | 95.6 Ų | 95.6 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 149 | 171.3 | -71.6 | -49.9 | 0 | 0 | 0 | 110.6 | E70 T71 T73 | E70-N75 WeakPolarHBondContact CA-O 3.46Å; T71-N75 HydrophobicContact CG2-CB 4.37Å; T71-N75 PolarHBondContact N-O 2.83Å; T71-N75 WeakPolarHBondContact OG1-CB 3.35Å; T71-N75 PolarHBondContact OG1-N 2.86Å; T71-N75 VanDerWaalsContact OG1-N 3.08Å; T71-N75 PolarHBondContact OG1-O 3.16Å; T73-N75 PolarHBondContact O-N 3.34Å; T73-N75 PolarHBondContact OG1-ND2 3.4Å |
| 76 | V | 97.6 | Very high | 93.8 | Very high | 107 Ų | 107 | 94.4 Ų | 94.4 | 65% | 0.648 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 117.1 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | T68 | T68-V76 HydrophobicContact CG2-CG1 3.3Å |
| 77 | Y | 97.9 | Very high | 93.9 | Very high | 145 Ų | 145 | 88.8 Ų | 88.8 | 57% | 0.569 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.8 | 173.2 | 179.8 | -97.7 | 0 | 0 | 0 | 110.7 | T68 V69 G79 | T68-Y77 WeakPolarHBondContact CA-O 3.38Å; V69-Y77 HydrophobicContact CG2-CD1 4.01Å; V69-Y77 HydrophobicContact CG2-CG 4.48Å; V69-Y77 PolarHBondContact N-O 2.84Å; V69-Y77 PolarHBondContact O-N 2.82Å; Y77-G79 PolarHBondContact O-N 2.89Å |
| 78 | K | 97.7 | Very high | 93.9 | Very high | 178 Ų | 178 | 82.8 Ų | 82.8 | 77% | 0.774 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 96.5 | 177 | -61.5 | -178.3 | -175.6 | 178.4 | 0 | 109.3 | ||
| 79 | G | 96.7 | Very high | 94 | Very high | 16 Ų | 16 | 78.9 Ų | 78.9 | 17% | 0.165 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -158.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | W67 Y77 | W67-G79 PolarHBondContact N-O 3.04Å; W67-G79 CarbonylContact O-C 3.19Å; W67-G79 VanDerWaalsContact O-CA 3.28Å; W67-G79 WeakPolarHBondContact O-CA 3.38Å; W67-G79 PolarHBondContact O-N 3.06Å; Y77-G79 PolarHBondContact O-N 2.89Å |
| 80 | V | 94.6 | Very high | 94.1 | Very high | 102 Ų | 102 | 75.9 Ų | 75.9 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 160.1 | 176.3 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | Y64 S65 | Y64-V80 HydrophobicContact CD1-CB 4.34Å; Y64-V80 HydrophobicContact CD1-CG2 3.99Å; S65-V80 CarbonylContact O-C 3.48Å; S65-V80 VanDerWaalsContact O-CA 3.3Å; S65-V80 WeakPolarHBondContact O-CA 3.49Å |
| 81 | R | 91.1 | Very high | 94.1 | Very high | 137 Ų | 137 | 69.3 Ų | 69.3 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144.2 | 175.2 | -176.3 | -179 | 177.9 | 174.8 | 1.2 | 109.8 | Y64 S65 W67 S83 | Y64-R81 CarbonylContact C-O 3.53Å; Y64-R81 VanDerWaalsContact CA-O 3.24Å; Y64-R81 WeakPolarHBondContact CA-O 3.4Å; S65-R81 PolarHBondContact N-O 2.99Å; S65-R81 PolarHBondContact O-N 2.91Å; W67-R81 HydrophobicContact CB-CB 3.76Å; W67-R81 HydrophobicContact CD2-CB 4.48Å; W67-R81 HydrophobicContact CG-CB 4.03Å; R81-S83 PolarHBondContact O-N 3.05Å |
| 82 | F | 87 | Confident | 94 | Very high | 79 Ų | 79 | 68.7 Ų | 68.7 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 132.9 | 170.2 | -75.9 | -79.1 | 0 | 0 | 0 | 111.4 | L59 L62 Y64 | L59-F82 HydrophobicContact CB-CE1 4.18Å; L59-F82 HydrophobicContact CB-CZ 4.07Å; L62-F82 HydrophobicContact CB-CD1 4.39Å; L62-F82 HydrophobicContact CB-CE1 4.37Å; L62-F82 HydrophobicContact CD1-CE1 4.31Å; Y64-F82 HydrophobicContact CD1-CD1 4.17Å; Y64-F82 HydrophobicContact CD1-CG 4.19Å; Y64-F82 AromaticContact CE1-CD1 3.56Å; Y64-F82 HydrophobicContact CE1-CD1 3.56Å; Y64-F82 AromaticContact CE1-CD2 3.8Å; Y64-F82 HydrophobicContact CE1-CD2 3.8Å; Y64-F82 AromaticContact CE1-CE1 3.58Å; Y64-F82 HydrophobicContact CE1-CE1 3.58Å; Y64-F82 AromaticContact CE1-CE2 3.78Å; Y64-F82 HydrophobicContact CE1-CE2 3.78Å; Y64-F82 AromaticContact CE1-CG 3.7Å; Y64-F82 HydrophobicContact CE1-CG 3.7Å; Y64-F82 AromaticContact CE1-CZ 3.69Å; Y64-F82 HydrophobicContact CE1-CZ 3.69Å; Y64-F82 HydrophobicContact CE2-CD1 4.06Å; Y64-F82 AromaticContact CE2-CE1 3.83Å; Y64-F82 HydrophobicContact CE2-CE1 3.83Å; Y64-F82 HydrophobicContact CE2-CZ 4.5Å; Y64-F82 AromaticContact CZ-CD1 3.52Å; Y64-F82 AromaticContact CZ-CE1 3.14Å; Y64-F82 AromaticContact CZ-CZ 3.44Å; Y64-F82 VanDerWaalsContact CZ-CZ 3.44Å; Y64-F82 WeakPolarHBondContact OH-CE1 3.41Å; Y64-F82 WeakPolarHBondContact OH-CZ 3.3Å |
| 83 | S | 83.9 | Confident | 93.7 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 145.3 | 168.2 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | P63 R81 N86 | P63-S83 WeakPolarHBondContact O-CB 3.33Å; P63-S83 PolarHBondContact O-N 3.14Å; P63-S83 PolarHBondContact O-OG 2.6Å; R81-S83 PolarHBondContact O-N 3.05Å; S83-N86 PolarHBondContact O-ND2 3.02Å; S83-N86 VanDerWaalsContact O-ND2 3.13Å |
| 84 | T | 81.1 | Confident | 93.5 | Very high | 140 Ų | 140 | 63.1 Ų | 63.1 | 86% | 0.859 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -67.2 | 154.5 | 174.4 | 53.9 | 0 | 0 | 0 | 0 | 111 | ||
| 85 | G | 84 | Confident | 93.6 | Very high | 23 Ų | 23 | 59 Ų | 59 | 24% | 0.237 | 30% | 0.301 | C | S | . | . | trans | 108.5 | 14.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R139 H140 | G85-R139 CarbonylContact O-C 3.33Å; G85-R139 WeakPolarHBondContact O-CA 3.25Å; G85-R139 WeakPolarHBondContact O-CB 3.43Å; G85-R139 WeakPolarHBondContact O-CG 3.29Å; G85-H140 PolarHBondContact O-N 2.89Å | ||
| 86 | N | 91.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 150.2 | 175.9 | -49.5 | -36.4 | 0 | 0 | 0 | 110.8 | L62 S83 M109 R139 H140 | L62-N86 HydrophobicContact CD1-CB 4.09Å; L62-N86 HydrophobicContact CD2-CB 4.49Å; S83-N86 PolarHBondContact O-ND2 3.02Å; S83-N86 VanDerWaalsContact O-ND2 3.13Å; N86-M109 HydrophobicContact CB-CE 4.11Å; N86-M109 HydrophobicContact CB-SD 4.22Å; N86-R139 PolarHBondContact O-NH1 3.44Å; N86-H140 CarbonylContact C-O 3.54Å; N86-H140 WeakPolarHBondContact CA-O 3.33Å |
| 87 | C | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 158.4 | 169.6 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | M109 R110 I133 R139 H140 I141 L142 | C87-M109 WeakPolarHBondContact CA-SD 3.35Å; C87-R110 WeakPolarHBondContact CA-O 3.25Å; C87-R110 WeakPolarHBondContact CB-O 3.33Å; C87-I133 HydrophobicContact CB-CD1 3.18Å; C87-R139 VanDerWaalsContact SG-CD 3.54Å; C87-H140 PolarHBondContact N-O 3.32Å; C87-I141 WeakPolarHBondContact O-CA 3.42Å; C87-L142 PolarHBondContact O-N 2.96Å |
| 88 | G | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 153.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R110 I111 G112 L142 | G88-R110 PolarHBondContact N-O 2.83Å; G88-I111 CarbonylContact O-C 3.6Å; G88-I111 VanDerWaalsContact O-CA 3.29Å; G88-I111 WeakPolarHBondContact O-CA 3.42Å; G88-G112 PolarHBondContact O-N 2.7Å; G88-L142 CarbonylContact C-O 3.57Å; G88-L142 WeakPolarHBondContact CA-O 3.39Å |
| 89 | V | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.2 | 164.2 | 175.9 | 0 | 0 | 0 | 0 | 108 | G112 I114 L132 I136 I141 L142 L143 L144 L161 | V89-G112 WeakPolarHBondContact CA-O 3.26Å; V89-I114 HydrophobicContact CG1-CD1 3.7Å; V89-I114 HydrophobicContact CG1-CG1 3.77Å; V89-L132 HydrophobicContact CG1-CD2 4.25Å; V89-L132 HydrophobicContact CG2-CD2 4.36Å; V89-I136 HydrophobicContact CG2-CD1 3.96Å; V89-I141 HydrophobicContact CB-CG2 3.98Å; V89-I141 HydrophobicContact CG2-CG2 3.69Å; V89-L142 PolarHBondContact N-O 3.45Å; V89-L143 HydrophobicContact CB-CD1 4.16Å; V89-L143 HydrophobicContact CG1-CD1 4.02Å; V89-L143 CarbonylContact O-C 3.55Å; V89-L143 WeakPolarHBondContact O-CA 3.38Å; V89-L144 PolarHBondContact O-N 3.24Å; V89-L161 HydrophobicContact CG2-CD2 4.27Å |
| 90 | S | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.7 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 110.6 | V92 E99 G112 I114 | S90-V92 PolarHBondContact O-N 2.86Å; S90-E99 PolarHBondContact OG-OE1 3.03Å; S90-G112 PolarHBondContact N-O 2.89Å; S90-I114 PolarHBondContact O-N 3.07Å |
| 91 | I | 97.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 112 | 166 | -58.9 | 169.1 | 0 | 0 | 0 | 108.2 | T94 G95 I114 I116 L143 L144 Y145 T153 V154 A157 | I91-T94 PolarHBondContact O-N 2.92Å; I91-G95 WeakPolarHBondContact O-CA 3.42Å; I91-G95 PolarHBondContact O-N 2.93Å; I91-I114 CarbonylContact C-O 3.57Å; I91-I114 VanDerWaalsContact CA-O 3.31Å; I91-I114 WeakPolarHBondContact CA-O 3.31Å; I91-I116 HydrophobicContact CG2-CD1 4.24Å; I91-L143 HydrophobicContact CD1-CD1 3.99Å; I91-L143 HydrophobicContact CD1-CD2 4.41Å; I91-L143 HydrophobicContact CD1-CG 4.24Å; I91-L143 HydrophobicContact CG1-CD1 3.83Å; I91-L144 PolarHBondContact N-O 3.49Å; I91-Y145 HydrophobicContact CB-CD2 3.73Å; I91-Y145 HydrophobicContact CB-CE2 4.17Å; I91-Y145 HydrophobicContact CD1-CD2 3.97Å; I91-Y145 HydrophobicContact CD1-CG 4.15Å; I91-Y145 HydrophobicContact CG1-CD2 4.41Å; I91-Y145 HydrophobicContact CG2-CD2 3.98Å; I91-Y145 HydrophobicContact CG2-CE2 3.88Å; I91-T153 HydrophobicContact CG2-CG2 3.87Å; I91-V154 HydrophobicContact CD1-CG2 4.13Å; I91-A157 HydrophobicContact CD1-CB 3.42Å; I91-A157 VanDerWaalsContact CD1-CB 3.42Å; I91-A157 HydrophobicContact CG1-CB 3.72Å |
| 92 | V | 95.7 | Very high | 93.9 | Very high | 25 Ų | 25 | 30 Ų | 30 | 15% | 0.152 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.5 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | S90 E96 K113 I114 L115 | S90-V92 PolarHBondContact O-N 2.86Å; V92-E96 HydrophobicContact CG2-CG 4.3Å; V92-K113 HydrophobicContact CG2-CB 3.97Å; V92-K113 HydrophobicContact CG2-CD 4.31Å; V92-K113 HydrophobicContact CG2-CG 4.38Å; V92-I114 PolarHBondContact N-O 2.82Å; V92-L115 HydrophobicContact CB-CB 4.2Å; V92-L115 HydrophobicContact CB-CD1 3.85Å; V92-L115 HydrophobicContact CG1-CD1 3.71Å |
| 93 | R | 92.1 | Very high | 94.4 | Very high | 109 Ų | 109 | 31.6 Ų | 31.6 | 41% | 0.411 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.9 | -29.3 | 2.3 | -66.9 | -173.7 | -69.5 | 172.2 | -3.5 | 114.3 | G95 E96 M217 | R93-G95 VanDerWaalsContact C-N 3.33Å; R93-G95 PolarHBondContact O-N 3.44Å; R93-E96 VanDerWaalsContact O-CB 3.3Å; R93-E96 WeakPolarHBondContact O-CB 3.4Å; R93-E96 WeakPolarHBondContact O-CG 3.38Å; R93-E96 PolarHBondContact O-N 3.31Å; R93-M217 PolarHBondContact NH2-OXT 3.12Å |
| 94 | T | 93.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -65.3 | -33.1 | -165.4 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | I91 E96 V97 Y145 P146 C209 M217 | I91-T94 PolarHBondContact O-N 2.92Å; T94-E96 PolarHBondContact O-N 3.42Å; T94-V97 WeakPolarHBondContact O-CG1 3.23Å; T94-V97 WeakPolarHBondContact O-CG2 3.48Å; T94-V97 PolarHBondContact O-N 3.45Å; T94-Y145 VanDerWaalsContact OG1-CD2 3.28Å; T94-Y145 WeakPolarHBondContact OG1-CD2 3.35Å; T94-Y145 WeakPolarHBondContact OG1-CE2 3.44Å; T94-P146 VanDerWaalsContact O-CD 3.28Å; T94-P146 WeakPolarHBondContact O-CD 3.42Å; T94-P146 VanDerWaalsContact O-CG 3.3Å; T94-P146 WeakPolarHBondContact O-CG 3.41Å; T94-C209 WeakPolarHBondContact CB-SG 3.48Å; T94-C209 HydrophobicContact CG2-CB 3.87Å; T94-C209 WeakPolarHBondContact CG2-SG 3.36Å; T94-M217 HydrophobicContact CG2-CE 3.84Å; T94-M217 HydrophobicContact CG2-SD 4.04Å |
| 95 | G | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -64.1 | -18.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I91 R93 V97 M98 L144 | I91-G95 WeakPolarHBondContact O-CA 3.42Å; I91-G95 PolarHBondContact O-N 2.93Å; R93-G95 VanDerWaalsContact C-N 3.33Å; R93-G95 PolarHBondContact O-N 3.44Å; G95-V97 VanDerWaalsContact C-N 3.28Å; G95-V97 PolarHBondContact O-N 3.01Å; G95-M98 PolarHBondContact O-N 2.9Å; G95-L144 VanDerWaalsContact CA-O 3.25Å; G95-L144 WeakPolarHBondContact CA-O 3.39Å |
| 96 | E | 97.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 29 Ų | 29 | 29% | 0.29 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -69.8 | -26.4 | -177.4 | -61.1 | -175.6 | 111.2 | 0 | 0 | 112.6 | V92 R93 T94 M98 E99 K113 F213 | V92-E96 HydrophobicContact CG2-CG 4.3Å; R93-E96 VanDerWaalsContact O-CB 3.3Å; R93-E96 WeakPolarHBondContact O-CB 3.4Å; R93-E96 WeakPolarHBondContact O-CG 3.38Å; R93-E96 PolarHBondContact O-N 3.31Å; T94-E96 PolarHBondContact O-N 3.42Å; E96-M98 PolarHBondContact O-N 3.21Å; E96-M98 VanDerWaalsContact O-N 3.13Å; E96-E99 WeakPolarHBondContact O-CB 3.48Å; E96-E99 PolarHBondContact O-N 3.05Å; E96-E99 VanDerWaalsContact O-N 3.1Å; E96-K113 IonicContact OE1-NZ 2.74Å; E96-K113 PolarHBondContact OE1-NZ 3.49Å; E96-F213 HydrophobicContact CB-CZ 4.41Å |
| 97 | V | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -57.9 | -29.2 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 111.9 | I51 T94 G95 P146 F208 Y212 F213 | I51-V97 HydrophobicContact CD1-CG2 4.25Å; T94-V97 WeakPolarHBondContact O-CG1 3.23Å; T94-V97 WeakPolarHBondContact O-CG2 3.48Å; T94-V97 PolarHBondContact O-N 3.45Å; G95-V97 VanDerWaalsContact C-N 3.28Å; G95-V97 PolarHBondContact O-N 3.01Å; V97-P146 HydrophobicContact CG2-CB 4.07Å; V97-P146 HydrophobicContact CG2-CG 3.85Å; V97-F208 HydrophobicContact CG2-CE1 3.94Å; V97-Y212 HydrophobicContact CB-CD1 3.73Å; V97-Y212 HydrophobicContact CB-CD2 4.17Å; V97-Y212 HydrophobicContact CB-CE1 3.54Å; V97-Y212 HydrophobicContact CB-CE2 4Å; V97-Y212 HydrophobicContact CB-CG 4.04Å; V97-Y212 HydrophobicContact CG1-CD1 3.3Å; V97-Y212 HydrophobicContact CG1-CD2 4.33Å; V97-Y212 HydrophobicContact CG1-CE1 3.6Å; V97-Y212 HydrophobicContact CG1-CG 3.71Å; V97-Y212 PolarHBondContact O-OH 3.09Å; V97-F213 HydrophobicContact CG1-CD2 4.37Å; V97-F213 HydrophobicContact CG1-CE1 4.01Å; V97-F213 HydrophobicContact CG1-CE2 3.54Å; V97-F213 HydrophobicContact CG1-CZ 3.33Å |
| 98 | M | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -87.8 | -10.5 | -175.5 | -53 | -177.5 | 78.6 | 0 | 0 | 112.9 | I51 I55 G95 E96 K100 G101 L102 L144 P146 V174 L176 | I51-M98 HydrophobicContact CG1-CG 4.45Å; I51-M98 HydrophobicContact CG2-CB 4.29Å; I55-M98 WeakPolarHBondContact CD1-O 3.37Å; G95-M98 PolarHBondContact O-N 2.9Å; E96-M98 PolarHBondContact O-N 3.21Å; E96-M98 VanDerWaalsContact O-N 3.13Å; M98-K100 VanDerWaalsContact C-N 3.32Å; M98-K100 PolarHBondContact O-N 2.97Å; M98-G101 PolarHBondContact O-N 3.45Å; M98-L102 PolarHBondContact O-N 3.02Å; M98-L102 VanDerWaalsContact O-N 3.1Å; M98-L144 HydrophobicContact CB-CB 4.17Å; M98-L144 HydrophobicContact CB-CD1 4.16Å; M98-L144 HydrophobicContact SD-CB 4.15Å; M98-P146 HydrophobicContact CG-CB 4.41Å; M98-P146 HydrophobicContact SD-CB 4.05Å; M98-V174 HydrophobicContact CE-CB 4.19Å; M98-V174 HydrophobicContact CE-CG1 3.46Å; M98-V174 VanDerWaalsContact CE-CG1 3.46Å; M98-L176 HydrophobicContact CE-CD2 3.89Å; M98-L176 HydrophobicContact CE-CG 4.21Å |
| 99 | E | 97.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -34.4 | -175.8 | -67.9 | -171.9 | -169.9 | 0 | 0 | 113 | S90 E96 L102 R103 I111 K113 L144 | S90-E99 PolarHBondContact OG-OE1 3.03Å; E96-E99 WeakPolarHBondContact O-CB 3.48Å; E96-E99 PolarHBondContact O-N 3.05Å; E96-E99 VanDerWaalsContact O-N 3.1Å; E99-L102 PolarHBondContact O-N 3.36Å; E99-R103 WeakPolarHBondContact O-CG 3.47Å; E99-R103 PolarHBondContact O-N 3.22Å; E99-R103 IonicContact OE2-CZ 3.17Å; E99-R103 VanDerWaalsContact OE2-CZ 3.29Å; E99-R103 IonicContact OE2-NH1 2.93Å; E99-R103 PolarHBondContact OE2-NH1 3.18Å; E99-R103 IonicContact OE2-NH2 3.59Å; E99-R103 PolarHBondContact OE2-NH2 3.27Å; E99-I111 HydrophobicContact CB-CD1 4Å; E99-I111 HydrophobicContact CG-CD1 3.94Å; E99-I111 HydrophobicContact CG-CG2 4.22Å; E99-K113 IonicContact OE1-NZ 3.43Å; E99-K113 PolarHBondContact OE1-NZ 3.2Å; E99-K113 IonicContact OE2-NZ 3.87Å; E99-L144 HydrophobicContact CG-CD1 4.25Å |
| 100 | K | 96 | Very high | 94.5 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -54.2 | 177.5 | 176 | 174.7 | 173 | -74.4 | 0 | 109.9 | D48 M98 L102 R103 E104 | D48-K100 IonicContact OD2-NZ 3.44Å; D48-K100 PolarHBondContact OD2-NZ 2.97Å; M98-K100 VanDerWaalsContact C-N 3.32Å; M98-K100 PolarHBondContact O-N 2.97Å; K100-L102 PolarHBondContact O-N 3.43Å; K100-R103 PolarHBondContact O-N 3.49Å; K100-E104 WeakPolarHBondContact CE-OE1 3.43Å; K100-E104 HydrophobicContact CG-CG 4.48Å; K100-E104 WeakPolarHBondContact CG-OE1 3.05Å; K100-E104 IonicContact NZ-OE1 2.7Å; K100-E104 PolarHBondContact NZ-OE1 3.37Å; K100-E104 IonicContact NZ-OE2 2.6Å; K100-E104 VanDerWaalsContact O-CG 3.31Å; K100-E104 WeakPolarHBondContact O-CG 3.37Å; K100-E104 PolarHBondContact O-N 2.96Å |
| 101 | G | 96.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.6 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I55 M98 E104 C105 | I55-G101 VanDerWaalsContact CD1-C 3.49Å; M98-G101 PolarHBondContact O-N 3.45Å; G101-E104 PolarHBondContact O-N 2.93Å; G101-C105 PolarHBondContact O-N 2.76Å; G101-C105 VanDerWaalsContact O-N 3.09Å; G101-C105 PolarHBondContact O-SG 2.61Å |
| 102 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 179.2 | -178.5 | 56.1 | 0 | 0 | 0 | 112.4 | I55 M98 E99 K100 E104 C105 C106 M109 I111 L142 L144 | I55-L102 HydrophobicContact CD1-CB 4Å; I55-L102 HydrophobicContact CG2-CD1 4.16Å; M98-L102 PolarHBondContact O-N 3.02Å; M98-L102 VanDerWaalsContact O-N 3.1Å; E99-L102 PolarHBondContact O-N 3.36Å; K100-L102 PolarHBondContact O-N 3.43Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-C105 PolarHBondContact O-N 2.89Å; L102-C106 PolarHBondContact O-N 3.08Å; L102-M109 HydrophobicContact CD1-CE 4.21Å; L102-M109 HydrophobicContact CD1-CG 4.14Å; L102-M109 HydrophobicContact CD2-CG 3.81Å; L102-M109 HydrophobicContact CG-CB 4.35Å; L102-M109 HydrophobicContact CG-CG 3.86Å; L102-I111 HydrophobicContact CD2-CD1 4.22Å; L102-I111 HydrophobicContact CD2-CG1 4.19Å; L102-L142 HydrophobicContact CD1-CD1 3.6Å; L102-L144 HydrophobicContact CD2-CD1 4Å; L102-L144 HydrophobicContact CD2-CD2 4.41Å |
| 103 | R | 95.9 | Very high | 94.6 | Very high | 113 Ų | 113 | 56 Ų | 56 | 43% | 0.426 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.9 | -31.5 | 178.2 | -70.7 | -174.9 | -176.1 | 102.4 | 4.7 | 112.3 | E99 K100 C106 R107 I111 | E99-R103 WeakPolarHBondContact O-CG 3.47Å; E99-R103 PolarHBondContact O-N 3.22Å; E99-R103 IonicContact OE2-CZ 3.17Å; E99-R103 VanDerWaalsContact OE2-CZ 3.29Å; E99-R103 IonicContact OE2-NH1 2.93Å; E99-R103 PolarHBondContact OE2-NH1 3.18Å; E99-R103 IonicContact OE2-NH2 3.59Å; E99-R103 PolarHBondContact OE2-NH2 3.27Å; K100-R103 PolarHBondContact O-N 3.49Å; R103-C106 CarbonylContact O-C 3.58Å; R103-C106 PolarHBondContact O-N 2.94Å; R103-R107 WeakPolarHBondContact O-CA 3.2Å; R103-R107 PolarHBondContact O-N 2.85Å; R103-I111 HydrophobicContact CG-CD1 4.08Å; R103-I111 VanDerWaalsContact CZ-CD1 3.49Å |
| 104 | E | 95.3 | Very high | 94.9 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.7 | -33 | 174.8 | -72.4 | 172.5 | 178.6 | 0 | 0 | 112.5 | K100 G101 L102 | K100-E104 WeakPolarHBondContact CE-OE1 3.43Å; K100-E104 HydrophobicContact CG-CG 4.48Å; K100-E104 WeakPolarHBondContact CG-OE1 3.05Å; K100-E104 IonicContact NZ-OE1 2.7Å; K100-E104 PolarHBondContact NZ-OE1 3.37Å; K100-E104 IonicContact NZ-OE2 2.6Å; K100-E104 VanDerWaalsContact O-CG 3.31Å; K100-E104 WeakPolarHBondContact O-CG 3.37Å; K100-E104 PolarHBondContact O-N 2.96Å; G101-E104 PolarHBondContact O-N 2.93Å; L102-E104 VanDerWaalsContact C-N 3.33Å |
| 105 | C | 93.7 | Very high | 95.1 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.7 | -36.9 | 171.8 | -58 | 0 | 0 | 0 | 0 | 112.5 | R52 I55 L59 G101 L102 | R52-C105 WeakPolarHBondContact CD-SG 3.23Å; R52-C105 PolarHBondContact NE-SG 3.4Å; I55-C105 HydrophobicContact CG2-CB 4.15Å; L59-C105 HydrophobicContact CD1-CB 3.52Å; G101-C105 PolarHBondContact O-N 2.76Å; G101-C105 VanDerWaalsContact O-N 3.09Å; G101-C105 PolarHBondContact O-SG 2.61Å; L102-C105 PolarHBondContact O-N 2.89Å |
| 106 | C | 90.9 | Very high | 95 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 14% | 0.142 | 25% | 0.245 | C | C | . | . | trans | -135.5 | 90.6 | -173.1 | -70.4 | 0 | 0 | 0 | 0 | 111.5 | L102 R103 S108 M109 | L102-C106 PolarHBondContact O-N 3.08Å; R103-C106 CarbonylContact O-C 3.58Å; R103-C106 PolarHBondContact O-N 2.94Å; C106-S108 PolarHBondContact O-N 2.89Å; C106-M109 HydrophobicContact CB-CB 3.94Å; C106-M109 HydrophobicContact CB-CE 3.7Å; C106-M109 VanDerWaalsContact O-CB 3.26Å; C106-M109 WeakPolarHBondContact O-CB 3.43Å; C106-M109 PolarHBondContact O-N 2.79Å | ||
| 107 | R | 85.4 | Confident | 94.6 | Very high | 241 Ų | 241 | 54 Ų | 54 | 91% | 0.909 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.6 | -174.2 | -64.7 | -176.2 | -176.5 | -179.2 | 1.1 | 114.8 | R103 | R103-R107 WeakPolarHBondContact O-CA 3.2Å; R103-R107 PolarHBondContact O-N 2.85Å |
| 108 | S | 85.3 | Confident | 94 | Very high | 115 Ų | 115 | 61.2 Ų | 61.2 | 80% | 0.804 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 12 | -178.3 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | C106 R110 | C106-S108 PolarHBondContact O-N 2.89Å; S108-R110 PolarHBondContact O-N 3.06Å |
| 109 | M | 91 | Very high | 93.2 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | trans | -69.9 | 120.8 | -176.5 | -164.6 | 62.9 | 74.6 | 0 | 0 | 110.8 | L59 N86 C87 L102 C106 | L59-M109 HydrophobicContact CD2-CE 4.49Å; N86-M109 HydrophobicContact CB-CE 4.11Å; N86-M109 HydrophobicContact CB-SD 4.22Å; C87-M109 WeakPolarHBondContact CA-SD 3.35Å; L102-M109 HydrophobicContact CD1-CE 4.21Å; L102-M109 HydrophobicContact CD1-CG 4.14Å; L102-M109 HydrophobicContact CD2-CG 3.81Å; L102-M109 HydrophobicContact CG-CB 4.35Å; L102-M109 HydrophobicContact CG-CG 3.86Å; C106-M109 HydrophobicContact CB-CB 3.94Å; C106-M109 HydrophobicContact CB-CE 3.7Å; C106-M109 VanDerWaalsContact O-CB 3.26Å; C106-M109 WeakPolarHBondContact O-CB 3.43Å; C106-M109 PolarHBondContact O-N 2.79Å | ||
| 110 | R | 94.4 | Very high | 92.1 | Very high | 145 Ų | 145 | 71.6 Ų | 71.6 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | trans | -80.5 | 140.1 | 170.9 | -64.7 | -179.5 | -179.1 | 156.3 | -0.6 | 109 | C87 G88 S108 I133 R139 | C87-R110 WeakPolarHBondContact CA-O 3.25Å; C87-R110 WeakPolarHBondContact CB-O 3.33Å; G88-R110 PolarHBondContact N-O 2.83Å; S108-R110 PolarHBondContact O-N 3.06Å; R110-I133 HydrophobicContact CB-CD1 3.54Å; R110-I133 HydrophobicContact CB-CG1 4.04Å; R110-R139 VanDerWaalsContact NH1-NH2 3.12Å | ||
| 111 | I | 97.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 74.5 Ų | 74.5 | 16% | 0.159 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119 | -178.7 | -66.3 | 160.2 | 0 | 0 | 0 | 109.6 | G88 E99 L102 R103 | G88-I111 CarbonylContact O-C 3.6Å; G88-I111 VanDerWaalsContact O-CA 3.29Å; G88-I111 WeakPolarHBondContact O-CA 3.42Å; E99-I111 HydrophobicContact CB-CD1 4Å; E99-I111 HydrophobicContact CG-CD1 3.94Å; E99-I111 HydrophobicContact CG-CG2 4.22Å; L102-I111 HydrophobicContact CD2-CD1 4.22Å; L102-I111 HydrophobicContact CD2-CG1 4.19Å; R103-I111 HydrophobicContact CG-CD1 4.08Å; R103-I111 VanDerWaalsContact CZ-CD1 3.49Å |
| 112 | G | 97.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 78.5 Ų | 78.5 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 163.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G88 V89 S90 K131 | G88-G112 PolarHBondContact O-N 2.7Å; V89-G112 WeakPolarHBondContact CA-O 3.26Å; S90-G112 PolarHBondContact N-O 2.89Å; G112-K131 CarbonylContact C-O 3.57Å; G112-K131 VanDerWaalsContact CA-O 3.23Å; G112-K131 WeakPolarHBondContact CA-O 3.33Å |
| 113 | K | 98.4 | Very high | 89.6 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.6 | -179.7 | -63 | -171.8 | 175.1 | -79.5 | 0 | 110.8 | V92 E96 E99 Y129 A130 K131 | V92-K113 HydrophobicContact CG2-CB 3.97Å; V92-K113 HydrophobicContact CG2-CD 4.31Å; V92-K113 HydrophobicContact CG2-CG 4.38Å; E96-K113 IonicContact OE1-NZ 2.74Å; E96-K113 PolarHBondContact OE1-NZ 3.49Å; E99-K113 IonicContact OE1-NZ 3.43Å; E99-K113 PolarHBondContact OE1-NZ 3.2Å; E99-K113 IonicContact OE2-NZ 3.87Å; K113-Y129 HydrophobicContact CB-CE1 4.47Å; K113-A130 WeakPolarHBondContact O-CA 3.47Å; K113-K131 PolarHBondContact N-O 3.01Å; K113-K131 PolarHBondContact O-N 2.8Å |
| 114 | I | 98.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 119.2 | 171 | -52.8 | 175.2 | 0 | 0 | 0 | 107.7 | V89 S90 I91 V92 I116 V127 Y129 L132 A157 V160 L161 | V89-I114 HydrophobicContact CG1-CD1 3.7Å; V89-I114 HydrophobicContact CG1-CG1 3.77Å; S90-I114 PolarHBondContact O-N 3.07Å; I91-I114 CarbonylContact C-O 3.57Å; I91-I114 VanDerWaalsContact CA-O 3.31Å; I91-I114 WeakPolarHBondContact CA-O 3.31Å; V92-I114 PolarHBondContact N-O 2.82Å; I114-I116 HydrophobicContact CG2-CD1 3.96Å; I114-I116 HydrophobicContact CG2-CG1 3.83Å; I114-V127 HydrophobicContact CG2-CG1 4.3Å; I114-Y129 CarbonylContact C-O 3.39Å; I114-Y129 WeakPolarHBondContact CA-O 3.33Å; I114-L132 HydrophobicContact CD1-CD2 4.15Å; I114-L132 HydrophobicContact CG1-CD2 3.86Å; I114-A157 HydrophobicContact CD1-CB 4.3Å; I114-V160 HydrophobicContact CD1-CB 4.24Å; I114-V160 HydrophobicContact CD1-CG1 4.04Å; I114-L161 HydrophobicContact CD1-CD2 4.19Å; I114-L161 HydrophobicContact CD1-CG 4.21Å |
| 115 | L | 97.3 | Very high | 88.3 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.2 | 172.3 | 178.4 | 61.9 | 0 | 0 | 0 | 109.1 | V92 L117 M128 Y129 | V92-L115 HydrophobicContact CB-CB 4.2Å; V92-L115 HydrophobicContact CB-CD1 3.85Å; V92-L115 HydrophobicContact CG1-CD1 3.71Å; L115-L117 HydrophobicContact CD1-CD2 4.06Å; L115-M128 HydrophobicContact CB-CB 4.39Å; L115-M128 HydrophobicContact CD2-CB 3.86Å; L115-M128 HydrophobicContact CG-CB 3.96Å; L115-M128 PolarHBondContact O-N 2.85Å; L115-Y129 PolarHBondContact N-O 3.47Å; L115-Y129 PolarHBondContact O-N 3.15Å |
| 116 | I | 94.4 | Very high | 88.1 | Confident | 13 Ų | 13 | 79.6 Ų | 79.6 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124 | 177.4 | -63.6 | 166.3 | 0 | 0 | 0 | 107.5 | I91 I114 A125 K126 V127 T153 K156 A157 | I91-I116 HydrophobicContact CG2-CD1 4.24Å; I114-I116 HydrophobicContact CG2-CD1 3.96Å; I114-I116 HydrophobicContact CG2-CG1 3.83Å; I116-A125 HydrophobicContact CG2-CB 3.72Å; I116-K126 WeakPolarHBondContact CA-O 3.4Å; I116-V127 HydrophobicContact CG1-CG2 4.46Å; I116-T153 HydrophobicContact CB-CG2 4.17Å; I116-T153 HydrophobicContact CD1-CG2 4.39Å; I116-T153 WeakPolarHBondContact CD1-O 3.42Å; I116-T153 HydrophobicContact CG2-CG2 4.05Å; I116-K156 HydrophobicContact CD1-CB 4.13Å; I116-K156 HydrophobicContact CD1-CG 4.38Å; I116-K156 HydrophobicContact CG2-CG 4.48Å; I116-A157 HydrophobicContact CD1-CB 3.64Å |
| 117 | L | 90 | Very high | 88.1 | Confident | 87 Ų | 87 | 81 Ų | 81 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 151.6 | 173.9 | -61.9 | -176.6 | 0 | 0 | 0 | 109.3 | L115 K126 M128 | L115-L117 HydrophobicContact CD1-CD2 4.06Å; L117-K126 PolarHBondContact N-O 3.02Å; L117-K126 PolarHBondContact O-N 3.46Å; L117-M128 HydrophobicContact CB-CG 4.02Å; L117-M128 HydrophobicContact CD1-CE 4.41Å; L117-M128 HydrophobicContact CD1-CG 3.65Å; L117-M128 HydrophobicContact CD1-SD 4.38Å; L117-M128 HydrophobicContact CG-CG 3.65Å |
| 118 | K | 84.9 | Confident | 88.5 | Confident | 155 Ų | 155 | 74.4 Ų | 74.4 | 67% | 0.674 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 126 | 168.9 | -169.8 | 177.8 | 177.3 | -175.3 | 0 | 108 | H120 G123 D124 | K118-H120 PolarHBondContact O-N 3.43Å; K118-G123 WeakPolarHBondContact CE-O 3.23Å; K118-D124 CarbonylContact C-O 3.54Å; K118-D124 WeakPolarHBondContact CA-O 3.28Å |
| 119 | D | 80 | Confident | 88.9 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | trans | -65.4 | 126.5 | 170 | -166.1 | -70.1 | 0 | 0 | 0 | 108.5 | D121 T122 G123 D124 | D119-D121 VanDerWaalsContact C-N 3.28Å; D119-D121 PolarHBondContact O-N 2.87Å; D119-D121 WeakPolarHBondContact OD1-CB 3.38Å; D119-D121 PolarHBondContact OD1-N 3.14Å; D119-T122 PolarHBondContact OD1-N 3.49Å; D119-T122 VanDerWaalsContact OD1-N 3.12Å; D119-G123 WeakPolarHBondContact O-CA 3.33Å; D119-G123 PolarHBondContact O-N 3.29Å; D119-D124 WeakPolarHBondContact CB-O 3.23Å; D119-D124 PolarHBondContact N-O 2.78Å | ||
| 120 | H | 75.5 | Confident | 89.1 | Confident | 189 Ų | 189 | 75.3 Ų | 75.3 | 88% | 0.875 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -25.6 | -176.4 | -77.6 | -81.3 | 0 | 0 | 0 | 112.5 | K118 | K118-H120 PolarHBondContact O-N 3.43Š|
| 121 | D | 77.7 | Confident | 89.2 | Confident | 156 Ų | 156 | 75 Ų | 75 | 83% | 0.834 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -45.4 | -175.2 | -60.5 | -34.6 | 0 | 0 | 0 | 110.8 | D119 | D119-D121 VanDerWaalsContact C-N 3.28Å; D119-D121 PolarHBondContact O-N 2.87Å; D119-D121 WeakPolarHBondContact OD1-CB 3.38Å; D119-D121 PolarHBondContact OD1-N 3.14Å |
| 122 | T | 82.2 | Confident | 89.2 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 54% | 0.54 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -21.7 | -177.3 | 76.8 | 0 | 0 | 0 | 0 | 113.5 | D119 D124 | D119-T122 PolarHBondContact OD1-N 3.49Å; D119-T122 VanDerWaalsContact OD1-N 3.12Å; T122-D124 VanDerWaalsContact CB-OD2 3.31Å; T122-D124 WeakPolarHBondContact CB-OD2 3.35Å; T122-D124 PolarHBondContact O-N 3.19Å; T122-D124 VanDerWaalsContact OG1-CB 3.22Å; T122-D124 WeakPolarHBondContact OG1-CB 3.36Å; T122-D124 PolarHBondContact OG1-N 3.26Å; T122-D124 VanDerWaalsContact OG1-N 3.09Å; T122-D124 PolarHBondContact OG1-OD2 3.19Å |
| 123 | G | 77.2 | Confident | 89 | Confident | 27 Ų | 27 | 76.1 Ų | 76.1 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | trans | 76 | 3.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K118 D119 | K118-G123 WeakPolarHBondContact CE-O 3.23Å; D119-G123 WeakPolarHBondContact O-CA 3.33Å; D119-G123 PolarHBondContact O-N 3.29Å | ||
| 124 | D | 80.4 | Confident | 88.8 | Confident | 98 Ų | 98 | 78.8 Ų | 78.8 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | trans | -78.7 | 156.2 | -179.2 | -63.9 | -43.4 | 0 | 0 | 0 | 112.5 | K118 D119 T122 K126 | K118-D124 CarbonylContact C-O 3.54Å; K118-D124 WeakPolarHBondContact CA-O 3.28Å; D119-D124 WeakPolarHBondContact CB-O 3.23Å; D119-D124 PolarHBondContact N-O 2.78Å; T122-D124 VanDerWaalsContact CB-OD2 3.31Å; T122-D124 WeakPolarHBondContact CB-OD2 3.35Å; T122-D124 PolarHBondContact O-N 3.19Å; T122-D124 VanDerWaalsContact OG1-CB 3.22Å; T122-D124 WeakPolarHBondContact OG1-CB 3.36Å; T122-D124 PolarHBondContact OG1-N 3.26Å; T122-D124 VanDerWaalsContact OG1-N 3.09Å; T122-D124 PolarHBondContact OG1-OD2 3.19Å; D124-K126 PolarHBondContact O-N 2.8Å | ||
| 125 | A | 83.5 | Confident | 88.7 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I116 K156 | I116-A125 HydrophobicContact CG2-CB 3.72Å; A125-K156 HydrophobicContact CB-CB 3.72Å; A125-K156 HydrophobicContact CB-CD 4.22Å; A125-K156 HydrophobicContact CB-CG 3.84Å; A125-K156 VanDerWaalsContact O-CD 3.22Å; A125-K156 WeakPolarHBondContact O-CD 3.44Å; A125-K156 WeakPolarHBondContact O-CE 3.39Å; A125-K156 WeakPolarHBondContact O-CG 3.41Å |
| 126 | K | 88.3 | Confident | 88.6 | Confident | 114 Ų | 114 | 80 Ų | 80 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.7 | 178.4 | -172.7 | 174.8 | -178.5 | 174.8 | 0 | 111.5 | I116 L117 D124 M128 | I116-K126 WeakPolarHBondContact CA-O 3.4Å; L117-K126 PolarHBondContact N-O 3.02Å; L117-K126 PolarHBondContact O-N 3.46Å; D124-K126 PolarHBondContact O-N 2.8Å; K126-M128 HydrophobicContact CD-SD 4.12Å; K126-M128 HydrophobicContact CG-SD 4.15Å; K126-M128 PolarHBondContact O-N 2.78Å |
| 127 | V | 92.5 | Very high | 88.8 | Confident | 49 Ų | 49 | 81.6 Ų | 81.6 | 30% | 0.297 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | I114 I116 A130 K156 V160 | I114-V127 HydrophobicContact CG2-CG1 4.3Å; I116-V127 HydrophobicContact CG1-CG2 4.46Å; V127-A130 HydrophobicContact CG1-CB 4.49Å; V127-K156 HydrophobicContact CG2-CG 3.95Å; V127-V160 HydrophobicContact CB-CG2 4.3Å; V127-V160 HydrophobicContact CG1-CG2 4.02Å; V127-V160 HydrophobicContact CG2-CG2 3.36Å |
| 128 | M | 93.5 | Very high | 89 | Confident | 104 Ų | 104 | 86 Ų | 86 | 51% | 0.512 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -31.2 | -179.6 | -61.6 | -58.9 | -68.3 | 0 | 0 | 112.1 | L115 L117 K126 | L115-M128 HydrophobicContact CB-CB 4.39Å; L115-M128 HydrophobicContact CD2-CB 3.86Å; L115-M128 HydrophobicContact CG-CB 3.96Å; L115-M128 PolarHBondContact O-N 2.85Å; L117-M128 HydrophobicContact CB-CG 4.02Å; L117-M128 HydrophobicContact CD1-CE 4.41Å; L117-M128 HydrophobicContact CD1-CG 3.65Å; L117-M128 HydrophobicContact CD1-SD 4.38Å; L117-M128 HydrophobicContact CG-CG 3.65Å; K126-M128 HydrophobicContact CD-SD 4.12Å; K126-M128 HydrophobicContact CG-SD 4.15Å; K126-M128 PolarHBondContact O-N 2.78Å |
| 129 | Y | 92.2 | Very high | 89.5 | Confident | 112 Ų | 112 | 79.7 Ų | 79.7 | 44% | 0.439 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 139.6 | -177.7 | 175.6 | -96.5 | 0 | 0 | 0 | 109.9 | K113 I114 L115 K131 | K113-Y129 HydrophobicContact CB-CE1 4.47Å; I114-Y129 CarbonylContact C-O 3.39Å; I114-Y129 WeakPolarHBondContact CA-O 3.33Å; L115-Y129 PolarHBondContact N-O 3.47Å; L115-Y129 PolarHBondContact O-N 3.15Å; Y129-K131 HydrophobicContact CE1-CB 3.5Å; Y129-K131 HydrophobicContact CE2-CB 4.41Å; Y129-K131 VanDerWaalsContact CZ-CB 3.47Å; Y129-K131 VanDerWaalsContact OH-CB 3.26Å; Y129-K131 WeakPolarHBondContact OH-CB 3.47Å; Y129-K131 WeakPolarHBondContact OH-CD 3.28Å |
| 130 | A | 95.7 | Very high | 90.2 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 36% | 0.355 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 118.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | K113 V127 V160 | K113-A130 WeakPolarHBondContact O-CA 3.47Å; V127-A130 HydrophobicContact CG1-CB 4.49Å; A130-V160 HydrophobicContact CB-CG1 4.11Å |
| 131 | K | 96.9 | Very high | 91.3 | Very high | 139 Ų | 139 | 70.8 Ų | 70.8 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 98.5 | 170.5 | -176.8 | 168.2 | -179.5 | 177.6 | 0 | 108.7 | G112 K113 Y129 | G112-K131 CarbonylContact C-O 3.57Å; G112-K131 VanDerWaalsContact CA-O 3.23Å; G112-K131 WeakPolarHBondContact CA-O 3.33Å; K113-K131 PolarHBondContact N-O 3.01Å; K113-K131 PolarHBondContact O-N 2.8Å; Y129-K131 HydrophobicContact CE1-CB 3.5Å; Y129-K131 HydrophobicContact CE2-CB 4.41Å; Y129-K131 VanDerWaalsContact CZ-CB 3.47Å; Y129-K131 VanDerWaalsContact OH-CB 3.26Å; Y129-K131 WeakPolarHBondContact OH-CB 3.47Å; Y129-K131 WeakPolarHBondContact OH-CD 3.28Å |
| 132 | L | 96.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | trans | -102.2 | 164.1 | -176.1 | -58.2 | 178.7 | 0 | 0 | 0 | 110.2 | V89 I114 I136 V160 L161 H164 | V89-L132 HydrophobicContact CG1-CD2 4.25Å; V89-L132 HydrophobicContact CG2-CD2 4.36Å; I114-L132 HydrophobicContact CD1-CD2 4.15Å; I114-L132 HydrophobicContact CG1-CD2 3.86Å; L132-I136 HydrophobicContact CB-CD1 3.79Å; L132-I136 HydrophobicContact CB-CG2 4.29Å; L132-I136 HydrophobicContact CD1-CD1 4.06Å; L132-I136 HydrophobicContact CD1-CG2 4.48Å; L132-I136 HydrophobicContact CD2-CD1 3.8Å; L132-I136 HydrophobicContact CG-CD1 4.07Å; L132-V160 HydrophobicContact CD1-CG1 4.36Å; L132-L161 HydrophobicContact CD1-CD2 4.28Å; L132-L161 HydrophobicContact CD2-CD2 4.26Å; L132-H164 HydrophobicContact CD1-CB 4.16Å | ||
| 133 | I | 94.5 | Very high | 93 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | trans | -74.1 | 140.4 | 176.5 | -58.7 | 150.3 | 0 | 0 | 0 | 108.1 | C87 R110 D135 I136 | C87-I133 HydrophobicContact CB-CD1 3.18Å; R110-I133 HydrophobicContact CB-CD1 3.54Å; R110-I133 HydrophobicContact CB-CG1 4.04Å; I133-D135 VanDerWaalsContact CG2-OD1 3.24Å; I133-D135 WeakPolarHBondContact CG2-OD1 3.3Å; I133-D135 PolarHBondContact O-N 2.76Å; I133-D135 VanDerWaalsContact O-N 3.08Å; I133-I136 VanDerWaalsContact O-CB 3.26Å; I133-I136 WeakPolarHBondContact O-CB 3.15Å; I133-I136 PolarHBondContact O-N 2.86Å | ||
| 134 | A | 93.9 | Very high | 94.1 | Very high | 115 Ų | 115 | 58 Ų | 58 | 95% | 0.95 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 135 | D | 95.1 | Very high | 94.9 | Very high | 64 Ų | 64 | 55 Ų | 55 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 26.2 | 179.8 | 64.4 | -23.1 | 0 | 0 | 0 | 113.3 | I133 A137 K138 R139 | I133-D135 VanDerWaalsContact CG2-OD1 3.24Å; I133-D135 WeakPolarHBondContact CG2-OD1 3.3Å; I133-D135 PolarHBondContact O-N 2.76Å; I133-D135 VanDerWaalsContact O-N 3.08Å; D135-A137 PolarHBondContact O-N 3.26Å; D135-A137 VanDerWaalsContact O-N 3.11Å; D135-K138 PolarHBondContact O-N 3.34Å; D135-R139 VanDerWaalsContact CG-NH2 3.25Å; D135-R139 IonicContact OD1-CZ 2.69Å; D135-R139 VanDerWaalsContact OD1-CZ 3.26Å; D135-R139 IonicContact OD1-NE 3.29Å; D135-R139 PolarHBondContact OD1-NE 3.27Å; D135-R139 IonicContact OD1-NH2 3.88Å; D135-R139 PolarHBondContact OD1-NH2 3.1Å; D135-R139 IonicContact OD2-CZ 2.87Å; D135-R139 IonicContact OD2-NE 3.26Å; D135-R139 PolarHBondContact OD2-NE 3.22Å; D135-R139 IonicContact OD2-NH2 2.74Å; D135-R139 PolarHBondContact OD2-NH2 3.47Å |
| 136 | I | 96.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -54.7 | -33.1 | -173.4 | -164.9 | 162.2 | 0 | 0 | 0 | 114.1 | V89 L132 I133 K138 R139 I141 L161 H164 V166 | V89-I136 HydrophobicContact CG2-CD1 3.96Å; L132-I136 HydrophobicContact CB-CD1 3.79Å; L132-I136 HydrophobicContact CB-CG2 4.29Å; L132-I136 HydrophobicContact CD1-CD1 4.06Å; L132-I136 HydrophobicContact CD1-CG2 4.48Å; L132-I136 HydrophobicContact CD2-CD1 3.8Å; L132-I136 HydrophobicContact CG-CD1 4.07Å; I133-I136 VanDerWaalsContact O-CB 3.26Å; I133-I136 WeakPolarHBondContact O-CB 3.15Å; I133-I136 PolarHBondContact O-N 2.86Å; I136-K138 PolarHBondContact O-N 3.41Å; I136-K138 VanDerWaalsContact O-N 3.08Å; I136-R139 WeakPolarHBondContact O-CB 3.25Å; I136-R139 PolarHBondContact O-N 2.84Å; I136-I141 HydrophobicContact CD1-CD1 3.84Å; I136-I141 HydrophobicContact CG1-CD1 3.64Å; I136-I141 HydrophobicContact CG1-CG1 4.44Å; I136-L161 HydrophobicContact CD1-CD2 3.67Å; I136-H164 HydrophobicContact CG2-CB 4.03Å; I136-V166 HydrophobicContact CG1-CG2 3.94Å; I136-V166 HydrophobicContact CG2-CG2 4.28Å |
| 137 | A | 96.6 | Very high | 96 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -57.3 | -25.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D135 H164 | D135-A137 PolarHBondContact O-N 3.26Å; D135-A137 VanDerWaalsContact O-N 3.11Å; A137-H164 WeakPolarHBondContact CB-O 3.28Å |
| 138 | K | 94.8 | Very high | 96.2 | Very high | 181 Ų | 181 | 46.9 Ų | 46.9 | 79% | 0.787 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -97.8 | 4.8 | -177.7 | -59.2 | 179.1 | -178.1 | 177.6 | 0 | 113.1 | D135 I136 | D135-K138 PolarHBondContact O-N 3.34Å; I136-K138 PolarHBondContact O-N 3.41Å; I136-K138 VanDerWaalsContact O-N 3.08Å |
| 139 | R | 95.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -106.9 | 155.6 | -169.8 | -66.4 | -171.3 | 175.7 | -85.5 | -14.3 | 113.2 | G85 N86 C87 R110 D135 I136 | G85-R139 CarbonylContact O-C 3.33Å; G85-R139 WeakPolarHBondContact O-CA 3.25Å; G85-R139 WeakPolarHBondContact O-CB 3.43Å; G85-R139 WeakPolarHBondContact O-CG 3.29Å; N86-R139 PolarHBondContact O-NH1 3.44Å; C87-R139 VanDerWaalsContact SG-CD 3.54Å; R110-R139 VanDerWaalsContact NH1-NH2 3.12Å; D135-R139 VanDerWaalsContact CG-NH2 3.25Å; D135-R139 IonicContact OD1-CZ 2.69Å; D135-R139 VanDerWaalsContact OD1-CZ 3.26Å; D135-R139 IonicContact OD1-NE 3.29Å; D135-R139 PolarHBondContact OD1-NE 3.27Å; D135-R139 IonicContact OD1-NH2 3.88Å; D135-R139 PolarHBondContact OD1-NH2 3.1Å; D135-R139 IonicContact OD2-CZ 2.87Å; D135-R139 IonicContact OD2-NE 3.26Å; D135-R139 PolarHBondContact OD2-NE 3.22Å; D135-R139 IonicContact OD2-NH2 2.74Å; D135-R139 PolarHBondContact OD2-NH2 3.47Å; I136-R139 WeakPolarHBondContact O-CB 3.25Å; I136-R139 PolarHBondContact O-N 2.84Å |
| 140 | H | 95.8 | Very high | 96.2 | Very high | 43 Ų | 43 | 42 Ų | 42 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 135.2 | 159.6 | -67.9 | -83.5 | 0 | 0 | 0 | 109.4 | L62 G85 N86 C87 N170 | L62-H140 HydrophobicContact CD2-CB 3.71Å; G85-H140 PolarHBondContact O-N 2.89Å; N86-H140 CarbonylContact C-O 3.54Å; N86-H140 WeakPolarHBondContact CA-O 3.33Å; C87-H140 PolarHBondContact N-O 3.32Å; H140-N170 WeakPolarHBondContact CA-O 3.38Å; H140-N170 PolarHBondContact CE1-OD1 3.47Å |
| 141 | I | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.5 | -169.5 | -55.6 | -172.6 | 0 | 0 | 0 | 110.2 | C87 V89 I136 L143 L161 V166 N170 I171 I172 | C87-I141 WeakPolarHBondContact O-CA 3.42Å; V89-I141 HydrophobicContact CB-CG2 3.98Å; V89-I141 HydrophobicContact CG2-CG2 3.69Å; I136-I141 HydrophobicContact CD1-CD1 3.84Å; I136-I141 HydrophobicContact CG1-CD1 3.64Å; I136-I141 HydrophobicContact CG1-CG1 4.44Å; I141-L143 HydrophobicContact CG2-CB 4.47Å; I141-L161 HydrophobicContact CD1-CD1 4.1Å; I141-L161 HydrophobicContact CD1-CD2 3.75Å; I141-L161 HydrophobicContact CD1-CG 4.4Å; I141-L161 HydrophobicContact CG2-CD1 4.28Å; I141-V166 HydrophobicContact CD1-CB 4.23Å; I141-V166 HydrophobicContact CD1-CG1 3.56Å; I141-V166 HydrophobicContact CD1-CG2 3.69Å; I141-V166 HydrophobicContact CG1-CG1 4.31Å; I141-N170 PolarHBondContact N-O 2.88Å; I141-I171 HydrophobicContact CB-CG1 4.47Å; I141-I172 PolarHBondContact O-N 3.28Å |
| 142 | L | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 101 | 160.7 | -60 | 179.6 | 0 | 0 | 0 | 108.1 | L59 L62 C87 G88 V89 L102 L144 I172 V174 | L59-L142 HydrophobicContact CD2-CD1 3.87Å; L62-L142 HydrophobicContact CD1-CD1 4.46Å; L62-L142 HydrophobicContact CD2-CD2 4.27Å; L62-L142 HydrophobicContact CG-CD2 4.49Å; C87-L142 PolarHBondContact O-N 2.96Å; G88-L142 CarbonylContact C-O 3.57Å; G88-L142 WeakPolarHBondContact CA-O 3.39Å; V89-L142 PolarHBondContact N-O 3.45Å; L102-L142 HydrophobicContact CD1-CD1 3.6Å; L142-L144 HydrophobicContact CB-CD2 4.18Å; L142-I172 CarbonylContact C-O 3.55Å; L142-I172 WeakPolarHBondContact CA-O 3.31Å; L142-I172 HydrophobicContact CD2-CB 3.99Å; L142-I172 HydrophobicContact CD2-CD1 3.95Å; L142-I172 HydrophobicContact CD2-CG2 4.23Å; L142-V174 HydrophobicContact CB-CG2 3.97Å; L142-V174 HydrophobicContact CD2-CG2 4.07Å |
| 143 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.6 | 177.7 | -178.5 | 62.3 | 0 | 0 | 0 | 108.7 | V89 I91 I141 V154 A157 I158 L161 I171 I172 L173 V174 | V89-L143 HydrophobicContact CB-CD1 4.16Å; V89-L143 HydrophobicContact CG1-CD1 4.02Å; V89-L143 CarbonylContact O-C 3.55Å; V89-L143 WeakPolarHBondContact O-CA 3.38Å; I91-L143 HydrophobicContact CD1-CD1 3.99Å; I91-L143 HydrophobicContact CD1-CD2 4.41Å; I91-L143 HydrophobicContact CD1-CG 4.24Å; I91-L143 HydrophobicContact CG1-CD1 3.83Å; I141-L143 HydrophobicContact CG2-CB 4.47Å; L143-V154 HydrophobicContact CD2-CG1 4.03Å; L143-A157 HydrophobicContact CD1-CB 4.29Å; L143-A157 HydrophobicContact CD2-CB 4.33Å; L143-I158 HydrophobicContact CD2-CD1 4.47Å; L143-I158 HydrophobicContact CD2-CG1 3.84Å; L143-L161 HydrophobicContact CD1-CD1 4.28Å; L143-L161 HydrophobicContact CD2-CD1 4.48Å; L143-I171 HydrophobicContact CB-CG2 3.95Å; L143-I171 HydrophobicContact CD2-CG2 4.25Å; L143-I172 PolarHBondContact N-O 3.02Å; L143-L173 HydrophobicContact CB-CD1 4.41Å; L143-L173 HydrophobicContact CD2-CD1 4.2Å; L143-L173 HydrophobicContact CG-CD1 4.16Å; L143-V174 PolarHBondContact O-N 3.27Å |
| 144 | L | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.1 | -169.6 | -47.5 | 178.6 | 0 | 0 | 0 | 110.7 | V89 I91 G95 M98 E99 L102 L142 V174 | V89-L144 PolarHBondContact O-N 3.24Å; I91-L144 PolarHBondContact N-O 3.49Å; G95-L144 VanDerWaalsContact CA-O 3.25Å; G95-L144 WeakPolarHBondContact CA-O 3.39Å; M98-L144 HydrophobicContact CB-CB 4.17Å; M98-L144 HydrophobicContact CB-CD1 4.16Å; M98-L144 HydrophobicContact SD-CB 4.15Å; E99-L144 HydrophobicContact CG-CD1 4.25Å; L102-L144 HydrophobicContact CD2-CD1 4Å; L102-L144 HydrophobicContact CD2-CD2 4.41Å; L142-L144 HydrophobicContact CB-CD2 4.18Å; L144-V174 HydrophobicContact CD2-CB 3.88Å; L144-V174 HydrophobicContact CD2-CG1 4.37Å; L144-V174 HydrophobicContact CD2-CG2 3.94Å |
| 145 | Y | 98 | Very high | 96.2 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | trans | -155.1 | 103.8 | 175.7 | -160.8 | -115 | 0 | 0 | 0 | 111.6 | I91 T94 V147 M148 T153 V154 V174 N175 | I91-Y145 HydrophobicContact CB-CD2 3.73Å; I91-Y145 HydrophobicContact CB-CE2 4.17Å; I91-Y145 HydrophobicContact CD1-CD2 3.97Å; I91-Y145 HydrophobicContact CD1-CG 4.15Å; I91-Y145 HydrophobicContact CG1-CD2 4.41Å; I91-Y145 HydrophobicContact CG2-CD2 3.98Å; I91-Y145 HydrophobicContact CG2-CE2 3.88Å; T94-Y145 VanDerWaalsContact OG1-CD2 3.28Å; T94-Y145 WeakPolarHBondContact OG1-CD2 3.35Å; T94-Y145 WeakPolarHBondContact OG1-CE2 3.44Å; Y145-V147 WeakPolarHBondContact CD1-O 3.48Å; Y145-V147 WeakPolarHBondContact CE1-O 3.37Å; Y145-M148 HydrophobicContact CD1-CB 4.21Å; Y145-M148 HydrophobicContact CE1-CB 4.42Å; Y145-T153 HydrophobicContact CE2-CG2 3.97Å; Y145-V154 HydrophobicContact CD1-CG2 3.4Å; Y145-V154 VanDerWaalsContact CD1-CG2 3.4Å; Y145-V154 HydrophobicContact CE1-CG2 3.99Å; Y145-V154 HydrophobicContact CG-CG2 3.85Å; Y145-V174 PolarHBondContact N-O 3.05Å; Y145-N175 WeakPolarHBondContact O-CA 3.23Å; Y145-N175 PolarHBondContact O-ND2 3.39Å | ||
| 146 | P | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -71.5 | -38 | -163.2 | 27.8 | -38 | 0 | 0 | 0 | 114.5 | T94 V97 M98 N175 L176 F177 F208 | T94-P146 VanDerWaalsContact O-CD 3.28Å; T94-P146 WeakPolarHBondContact O-CD 3.42Å; T94-P146 VanDerWaalsContact O-CG 3.3Å; T94-P146 WeakPolarHBondContact O-CG 3.41Å; V97-P146 HydrophobicContact CG2-CB 4.07Å; V97-P146 HydrophobicContact CG2-CG 3.85Å; M98-P146 HydrophobicContact CG-CB 4.41Å; M98-P146 HydrophobicContact SD-CB 4.05Å; P146-N175 PolarHBondContact O-ND2 3.36Å; P146-N175 VanDerWaalsContact O-ND2 3.07Å; P146-L176 HydrophobicContact CB-CD1 3.89Å; P146-L176 HydrophobicContact CB-CG 4.04Å; P146-L176 WeakPolarHBondContact O-CA 3.3Å; P146-L176 VanDerWaalsContact O-CB 3.28Å; P146-L176 WeakPolarHBondContact O-CB 2.99Å; P146-L176 PolarHBondContact O-N 2.98Å; P146-F177 PolarHBondContact O-N 3.42Å; P146-F208 HydrophobicContact CB-CD1 4.38Å; P146-F208 HydrophobicContact CB-CE1 4.12Å; P146-F208 HydrophobicContact CG-CE1 4.48Å |
| 147 | V | 97.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.9 | -176.5 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | Y145 F177 P204 F208 | Y145-V147 WeakPolarHBondContact CD1-O 3.48Å; Y145-V147 WeakPolarHBondContact CE1-O 3.37Å; V147-F177 CarbonylContact C-O 3.6Å; V147-F177 WeakPolarHBondContact CA-O 3.28Å; V147-F177 HydrophobicContact CG2-CD2 4.13Å; V147-P204 HydrophobicContact CG1-CB 3.97Å; V147-P204 HydrophobicContact CG1-CG 4.32Å; V147-F208 HydrophobicContact CG2-CB 3.75Å; V147-F208 HydrophobicContact CG2-CD1 4.44Å; V147-F208 HydrophobicContact CG2-CG 4.03Å |
| 148 | M | 95.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 112.7 | -173.3 | -173.5 | 174.1 | 69.6 | 0 | 0 | 111.5 | Y145 V154 L173 F177 C178 T179 S182 L183 L186 | Y145-M148 HydrophobicContact CD1-CB 4.21Å; Y145-M148 HydrophobicContact CE1-CB 4.42Å; M148-V154 HydrophobicContact CG-CG2 4.38Å; M148-V154 HydrophobicContact SD-CB 4.18Å; M148-V154 HydrophobicContact SD-CG2 3.78Å; M148-L173 HydrophobicContact CE-CD2 4.15Å; M148-L173 HydrophobicContact SD-CD2 3.94Å; M148-F177 PolarHBondContact N-O 3.05Å; M148-C178 HydrophobicContact CB-CB 4.29Å; M148-C178 HydrophobicContact CE-CB 3.76Å; M148-C178 WeakPolarHBondContact O-CA 3.4Å; M148-T179 PolarHBondContact O-N 3.13Å; M148-T179 VanDerWaalsContact O-N 3.14Å; M148-S182 WeakPolarHBondContact CE-OG 3.21Å; M148-S182 PolarHBondContact O-OG 2.69Å; M148-L183 HydrophobicContact CE-CD2 3.98Å; M148-L186 HydrophobicContact CE-CD1 3.68Å; M148-L186 HydrophobicContact SD-CD1 3.48Å; M148-L186 WeakPolarHBondContact SD-CD1 3.5Å; M148-L186 HydrophobicContact SD-CG 4.46Å |
| 149 | N | 94.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 25.8 Ų | 25.8 | 37% | 0.369 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -97.6 | -46.8 | -177.5 | -72.5 | -82.2 | 0 | 0 | 0 | 113.7 | T179 P204 N206 | N149-T179 PolarHBondContact O-OG1 3.46Å; N149-P204 VanDerWaalsContact OD1-CG 3.25Å; N149-P204 WeakPolarHBondContact OD1-CG 3.32Å; N149-N206 PolarHBondContact ND2-OD1 2.7Å; N149-N206 PolarHBondContact OD1-OD1 3.04Å |
| 150 | S | 93.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 25.4 Ų | 25.4 | 31% | 0.308 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -117.2 | -8.6 | -173.8 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | K152 | S150-K152 PolarHBondContact O-N 2.92Š|
| 151 | G | 94.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 73.7 | -23.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T153 V154 A155 | G151-T153 PolarHBondContact O-N 3.01Å; G151-V154 WeakPolarHBondContact O-CB 3.26Å; G151-V154 PolarHBondContact O-N 3.15Å; G151-A155 PolarHBondContact O-N 3.31Å |
| 152 | K | 94 | Very high | 96.8 | Very high | 121 Ų | 121 | 30.1 Ų | 30.1 | 53% | 0.526 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -55.5 | -42 | -173.1 | -64.3 | -173 | 176.6 | -172.2 | 0 | 115 | S150 V154 A155 K156 | S150-K152 PolarHBondContact O-N 2.92Å; K152-V154 VanDerWaalsContact C-N 3.33Å; K152-V154 PolarHBondContact O-N 3.04Å; K152-A155 PolarHBondContact O-N 3.02Å; K152-K156 WeakPolarHBondContact O-CB 3.39Å; K152-K156 PolarHBondContact O-N 2.99Å |
| 153 | T | 94.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 34.4 Ų | 34.4 | 22% | 0.221 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | I91 I116 Y145 G151 A157 | I91-T153 HydrophobicContact CG2-CG2 3.87Å; I116-T153 HydrophobicContact CB-CG2 4.17Å; I116-T153 HydrophobicContact CD1-CG2 4.39Å; I116-T153 WeakPolarHBondContact CD1-O 3.42Å; I116-T153 HydrophobicContact CG2-CG2 4.05Å; Y145-T153 HydrophobicContact CE2-CG2 3.97Å; G151-T153 PolarHBondContact O-N 3.01Å; T153-A157 PolarHBondContact O-N 3.41Å; T153-A157 VanDerWaalsContact O-N 3.13Å |
| 154 | V | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.1 | -43.8 | 176.8 | 174 | 0 | 0 | 0 | 0 | 110.5 | I91 L143 Y145 M148 G151 K152 K156 A157 I158 L173 L186 | I91-V154 HydrophobicContact CD1-CG2 4.13Å; L143-V154 HydrophobicContact CD2-CG1 4.03Å; Y145-V154 HydrophobicContact CD1-CG2 3.4Å; Y145-V154 VanDerWaalsContact CD1-CG2 3.4Å; Y145-V154 HydrophobicContact CE1-CG2 3.99Å; Y145-V154 HydrophobicContact CG-CG2 3.85Å; M148-V154 HydrophobicContact CG-CG2 4.38Å; M148-V154 HydrophobicContact SD-CB 4.18Å; M148-V154 HydrophobicContact SD-CG2 3.78Å; G151-V154 WeakPolarHBondContact O-CB 3.26Å; G151-V154 PolarHBondContact O-N 3.15Å; K152-V154 VanDerWaalsContact C-N 3.33Å; K152-V154 PolarHBondContact O-N 3.04Å; V154-K156 VanDerWaalsContact C-N 3.3Å; V154-K156 PolarHBondContact O-N 3.43Å; V154-A157 WeakPolarHBondContact O-CB 3.43Å; V154-A157 PolarHBondContact O-N 3.28Å; V154-I158 HydrophobicContact CG1-CD1 3.88Å; V154-I158 HydrophobicContact CG1-CG1 4.4Å; V154-I158 WeakPolarHBondContact O-CG1 3.33Å; V154-I158 PolarHBondContact O-N 2.86Å; V154-L173 HydrophobicContact CG1-CD1 3.78Å; V154-L173 HydrophobicContact CG1-CD2 3.87Å; V154-L173 HydrophobicContact CG1-CG 4.41Å; V154-L173 HydrophobicContact CG2-CD1 4.13Å; V154-L186 HydrophobicContact CB-CD1 4.31Å; V154-L186 HydrophobicContact CB-CD2 4.26Å; V154-L186 HydrophobicContact CG1-CD1 3.9Å; V154-L186 HydrophobicContact CG1-CD2 4.03Å |
| 155 | A | 96.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -52.9 | -48.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G151 K152 A157 I158 E159 L186 E189 F190 | G151-A155 PolarHBondContact O-N 3.31Å; K152-A155 PolarHBondContact O-N 3.02Å; A155-A157 VanDerWaalsContact C-N 3.33Å; A155-A157 PolarHBondContact O-N 3.3Å; A155-I158 WeakPolarHBondContact O-CB 3.38Å; A155-I158 PolarHBondContact O-N 3.45Å; A155-I158 VanDerWaalsContact O-N 3.1Å; A155-E159 PolarHBondContact O-N 2.74Å; A155-L186 HydrophobicContact CB-CD2 4.06Å; A155-E189 WeakPolarHBondContact CB-OE2 3.42Å; A155-F190 HydrophobicContact CB-CE2 3.64Å; A155-F190 HydrophobicContact CB-CZ 4.28Å |
| 156 | K | 96.3 | Very high | 96.6 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 176.5 | -164.3 | 75.9 | -166.2 | 162.5 | 0 | 113.1 | I116 A125 V127 K152 V154 I158 E159 V160 | I116-K156 HydrophobicContact CD1-CB 4.13Å; I116-K156 HydrophobicContact CD1-CG 4.38Å; I116-K156 HydrophobicContact CG2-CG 4.48Å; A125-K156 HydrophobicContact CB-CB 3.72Å; A125-K156 HydrophobicContact CB-CD 4.22Å; A125-K156 HydrophobicContact CB-CG 3.84Å; A125-K156 VanDerWaalsContact O-CD 3.22Å; A125-K156 WeakPolarHBondContact O-CD 3.44Å; A125-K156 WeakPolarHBondContact O-CE 3.39Å; A125-K156 WeakPolarHBondContact O-CG 3.41Å; V127-K156 HydrophobicContact CG2-CG 3.95Å; K152-K156 WeakPolarHBondContact O-CB 3.39Å; K152-K156 PolarHBondContact O-N 2.99Å; V154-K156 VanDerWaalsContact C-N 3.3Å; V154-K156 PolarHBondContact O-N 3.43Å; K156-I158 VanDerWaalsContact C-N 3.35Å; K156-E159 WeakPolarHBondContact CD-OE2 3.38Å; K156-E159 WeakPolarHBondContact CE-OE2 3.37Å; K156-E159 IonicContact NZ-OE2 2.69Å; K156-E159 PolarHBondContact NZ-OE2 3.33Å; K156-E159 WeakPolarHBondContact O-CB 3.15Å; K156-E159 PolarHBondContact O-N 3.42Å; K156-V160 WeakPolarHBondContact O-CG2 3.18Å; K156-V160 PolarHBondContact O-N 3.19Å; K156-V160 VanDerWaalsContact O-N 3.15Å |
| 157 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I91 I114 I116 L143 T153 V154 A155 V160 L161 | I91-A157 HydrophobicContact CD1-CB 3.42Å; I91-A157 VanDerWaalsContact CD1-CB 3.42Å; I91-A157 HydrophobicContact CG1-CB 3.72Å; I114-A157 HydrophobicContact CD1-CB 4.3Å; I116-A157 HydrophobicContact CD1-CB 3.64Å; L143-A157 HydrophobicContact CD1-CB 4.29Å; L143-A157 HydrophobicContact CD2-CB 4.33Å; T153-A157 PolarHBondContact O-N 3.41Å; T153-A157 VanDerWaalsContact O-N 3.13Å; V154-A157 WeakPolarHBondContact O-CB 3.43Å; V154-A157 PolarHBondContact O-N 3.28Å; A155-A157 VanDerWaalsContact C-N 3.33Å; A155-A157 PolarHBondContact O-N 3.3Å; A157-V160 WeakPolarHBondContact O-CB 3.36Å; A157-V160 PolarHBondContact O-N 2.88Å; A157-L161 WeakPolarHBondContact O-CG 3.42Å; A157-L161 PolarHBondContact O-N 2.75Å |
| 158 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.5 | -66 | 167.2 | 0 | 0 | 0 | 110.8 | L143 V154 A155 K156 V160 L161 R162 V168 I171 L186 F190 L193 | L143-I158 HydrophobicContact CD2-CD1 4.47Å; L143-I158 HydrophobicContact CD2-CG1 3.84Å; V154-I158 HydrophobicContact CG1-CD1 3.88Å; V154-I158 HydrophobicContact CG1-CG1 4.4Å; V154-I158 WeakPolarHBondContact O-CG1 3.33Å; V154-I158 PolarHBondContact O-N 2.86Å; A155-I158 WeakPolarHBondContact O-CB 3.38Å; A155-I158 PolarHBondContact O-N 3.45Å; A155-I158 VanDerWaalsContact O-N 3.1Å; K156-I158 VanDerWaalsContact C-N 3.35Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.05Å; I158-L161 PolarHBondContact O-N 3.14Å; I158-L161 VanDerWaalsContact O-N 3.15Å; I158-R162 HydrophobicContact CG2-CG 4.36Å; I158-R162 WeakPolarHBondContact O-CG 3.23Å; I158-R162 PolarHBondContact O-N 3.02Å; I158-V168 HydrophobicContact CG2-CG2 4.19Å; I158-I171 HydrophobicContact CG1-CD1 4.36Å; I158-I171 HydrophobicContact CG2-CD1 4.01Å; I158-L186 HydrophobicContact CD1-CD2 4.39Å; I158-F190 HydrophobicContact CB-CE1 4.19Å; I158-F190 HydrophobicContact CB-CE2 4.35Å; I158-F190 HydrophobicContact CB-CZ 4.1Å; I158-F190 HydrophobicContact CD1-CD2 3.99Å; I158-F190 HydrophobicContact CD1-CE2 4.31Å; I158-F190 HydrophobicContact CD1-CG 4.28Å; I158-F190 HydrophobicContact CG2-CD1 3.59Å; I158-F190 HydrophobicContact CG2-CD2 4.44Å; I158-F190 HydrophobicContact CG2-CE1 3.5Å; I158-F190 VanDerWaalsContact CG2-CE1 3.5Å; I158-F190 HydrophobicContact CG2-CE2 4.38Å; I158-F190 HydrophobicContact CG2-CG 4.08Å; I158-F190 HydrophobicContact CG2-CZ 3.93Å; I158-L193 HydrophobicContact CD1-CD1 3.91Å; I158-L193 HydrophobicContact CD1-CD2 3.56Å; I158-L193 HydrophobicContact CD1-CG 4.32Å |
| 159 | E | 97.3 | Very high | 96.6 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 172.5 | -70.4 | 178.1 | 177.6 | 0 | 0 | 112.3 | A155 K156 L161 R162 S163 F190 | A155-E159 PolarHBondContact O-N 2.74Å; K156-E159 WeakPolarHBondContact CD-OE2 3.38Å; K156-E159 WeakPolarHBondContact CE-OE2 3.37Å; K156-E159 IonicContact NZ-OE2 2.69Å; K156-E159 PolarHBondContact NZ-OE2 3.33Å; K156-E159 WeakPolarHBondContact O-CB 3.15Å; K156-E159 PolarHBondContact O-N 3.42Å; E159-L161 VanDerWaalsContact C-N 3.35Å; E159-R162 PolarHBondContact O-N 2.95Å; E159-S163 PolarHBondContact O-N 3.32Å; E159-F190 HydrophobicContact CG-CZ 4.4Å |
| 160 | V | 97.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 9% | 0.085 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | I114 V127 A130 L132 K156 A157 I158 S163 H164 | I114-V160 HydrophobicContact CD1-CB 4.24Å; I114-V160 HydrophobicContact CD1-CG1 4.04Å; V127-V160 HydrophobicContact CB-CG2 4.3Å; V127-V160 HydrophobicContact CG1-CG2 4.02Å; V127-V160 HydrophobicContact CG2-CG2 3.36Å; A130-V160 HydrophobicContact CB-CG1 4.11Å; L132-V160 HydrophobicContact CD1-CG1 4.36Å; K156-V160 WeakPolarHBondContact O-CG2 3.18Å; K156-V160 PolarHBondContact O-N 3.19Å; K156-V160 VanDerWaalsContact O-N 3.15Å; A157-V160 WeakPolarHBondContact O-CB 3.36Å; A157-V160 PolarHBondContact O-N 2.88Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.05Å; V160-S163 PolarHBondContact O-N 3.25Å; V160-S163 PolarHBondContact O-OG 3.08Å; V160-H164 PolarHBondContact O-N 2.93Å; V160-H164 PolarHBondContact O-ND1 2.88Å |
| 161 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.3 | -67.7 | 173.2 | 0 | 0 | 0 | 111.4 | V89 I114 L132 I136 I141 L143 A157 I158 E159 S163 H164 G165 V166 I171 | V89-L161 HydrophobicContact CG2-CD2 4.27Å; I114-L161 HydrophobicContact CD1-CD2 4.19Å; I114-L161 HydrophobicContact CD1-CG 4.21Å; L132-L161 HydrophobicContact CD1-CD2 4.28Å; L132-L161 HydrophobicContact CD2-CD2 4.26Å; I136-L161 HydrophobicContact CD1-CD2 3.67Å; I141-L161 HydrophobicContact CD1-CD1 4.1Å; I141-L161 HydrophobicContact CD1-CD2 3.75Å; I141-L161 HydrophobicContact CD1-CG 4.4Å; I141-L161 HydrophobicContact CG2-CD1 4.28Å; L143-L161 HydrophobicContact CD1-CD1 4.28Å; L143-L161 HydrophobicContact CD2-CD1 4.48Å; A157-L161 WeakPolarHBondContact O-CG 3.42Å; A157-L161 PolarHBondContact O-N 2.75Å; I158-L161 PolarHBondContact O-N 3.14Å; I158-L161 VanDerWaalsContact O-N 3.15Å; E159-L161 VanDerWaalsContact C-N 3.35Å; L161-S163 PolarHBondContact O-N 3.2Å; L161-H164 CarbonylContact O-C 3.6Å; L161-H164 PolarHBondContact O-N 3.31Å; L161-H164 VanDerWaalsContact O-N 3.1Å; L161-G165 PolarHBondContact O-N 2.99Å; L161-V166 HydrophobicContact CB-CB 4.05Å; L161-V166 HydrophobicContact CB-CG1 4.45Å; L161-V166 HydrophobicContact CB-CG2 4.16Å; L161-V166 HydrophobicContact CD2-CG2 4.46Å; L161-V166 VanDerWaalsContact O-CB 3.25Å; L161-V166 WeakPolarHBondContact O-CB 3.39Å; L161-V166 VanDerWaalsContact O-CG2 3.29Å; L161-V166 WeakPolarHBondContact O-CG2 3.05Å; L161-V166 PolarHBondContact O-N 3.27Å; L161-I171 HydrophobicContact CB-CD1 4.09Å; L161-I171 HydrophobicContact CD1-CD1 3.81Å; L161-I171 HydrophobicContact CD1-CG1 4.36Å |
| 162 | R | 97.8 | Very high | 97.1 | Very high | 142 Ų | 142 | 46 Ų | 46 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.4 | -73.9 | -177.7 | 67.7 | -174.4 | -1.4 | 112.2 | I158 E159 H164 G165 V168 | I158-R162 HydrophobicContact CG2-CG 4.36Å; I158-R162 WeakPolarHBondContact O-CG 3.23Å; I158-R162 PolarHBondContact O-N 3.02Å; E159-R162 PolarHBondContact O-N 2.95Å; R162-H164 PolarHBondContact O-N 3.06Å; R162-G165 PolarHBondContact O-N 2.87Å; R162-V168 HydrophobicContact CG-CG2 3.98Å |
| 163 | S | 96.9 | Very high | 97.3 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 64% | 0.643 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.3 | -20 | 176.9 | 75.5 | 0 | 0 | 0 | 0 | 113 | E159 V160 L161 | E159-S163 PolarHBondContact O-N 3.32Å; V160-S163 PolarHBondContact O-N 3.25Å; V160-S163 PolarHBondContact O-OG 3.08Å; L161-S163 PolarHBondContact O-N 3.2Å |
| 164 | H | 97.4 | Very high | 97.5 | Very high | 92 Ų | 92 | 38.6 Ų | 38.6 | 43% | 0.426 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 16.2 | 171.3 | -66.1 | 73.9 | 0 | 0 | 0 | 113.3 | L132 I136 A137 V160 L161 R162 | L132-H164 HydrophobicContact CD1-CB 4.16Å; I136-H164 HydrophobicContact CG2-CB 4.03Å; A137-H164 WeakPolarHBondContact CB-O 3.28Å; V160-H164 PolarHBondContact O-N 2.93Å; V160-H164 PolarHBondContact O-ND1 2.88Å; L161-H164 CarbonylContact O-C 3.6Å; L161-H164 PolarHBondContact O-N 3.31Å; L161-H164 VanDerWaalsContact O-N 3.1Å; R162-H164 PolarHBondContact O-N 3.06Å |
| 165 | G | 97.6 | Very high | 97.5 | Very high | 52 Ų | 52 | 38.6 Ų | 38.6 | 54% | 0.536 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 9.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L161 R162 | L161-G165 PolarHBondContact O-N 2.99Å; R162-G165 PolarHBondContact O-N 2.87Å |
| 166 | V | 97.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | trans | -76.3 | 129.8 | 177 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | I136 I141 L161 I171 | I136-V166 HydrophobicContact CG1-CG2 3.94Å; I136-V166 HydrophobicContact CG2-CG2 4.28Å; I141-V166 HydrophobicContact CD1-CB 4.23Å; I141-V166 HydrophobicContact CD1-CG1 3.56Å; I141-V166 HydrophobicContact CD1-CG2 3.69Å; I141-V166 HydrophobicContact CG1-CG1 4.31Å; L161-V166 HydrophobicContact CB-CB 4.05Å; L161-V166 HydrophobicContact CB-CG1 4.45Å; L161-V166 HydrophobicContact CB-CG2 4.16Å; L161-V166 HydrophobicContact CD2-CG2 4.46Å; L161-V166 VanDerWaalsContact O-CB 3.25Å; L161-V166 WeakPolarHBondContact O-CB 3.39Å; L161-V166 VanDerWaalsContact O-CG2 3.29Å; L161-V166 WeakPolarHBondContact O-CG2 3.05Å; L161-V166 PolarHBondContact O-N 3.27Å; V166-I171 HydrophobicContact CG1-CD1 4.05Å; V166-I171 HydrophobicContact CG1-CG1 3.81Å | ||
| 167 | S | 97.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | trans | -77.3 | 134.7 | 170.3 | -172 | 0 | 0 | 0 | 0 | 110.7 | R169 N170 | S167-R169 PolarHBondContact O-N 2.96Å; S167-R169 WeakPolarHBondContact OG-CG 3.42Å; S167-R169 PolarHBondContact OG-NE 3.07Å; S167-N170 WeakPolarHBondContact O-CB 3.48Å; S167-N170 PolarHBondContact O-N 2.89Å | ||
| 168 | V | 97.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -54.1 | -38.2 | 179.9 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | I158 R162 N170 I171 F190 D192 L193 | I158-V168 HydrophobicContact CG2-CG2 4.19Å; R162-V168 HydrophobicContact CG-CG2 3.98Å; V168-N170 PolarHBondContact O-N 2.73Å; V168-I171 WeakPolarHBondContact O-CB 3.47Å; V168-I171 PolarHBondContact O-N 2.95Å; V168-F190 HydrophobicContact CG1-CB 3.98Å; V168-F190 HydrophobicContact CG2-CD1 4.1Å; V168-D192 HydrophobicContact CG1-CB 4.19Å; V168-L193 HydrophobicContact CG1-CB 3.96Å |
| 169 | R | 96.3 | Very high | 97.6 | Very high | 165 Ų | 165 | 36 Ų | 36 | 62% | 0.623 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -57.2 | -22.6 | 176 | 80.9 | -175.4 | 114.6 | 180 | 0.8 | 114.6 | S167 I171 D192 | S167-R169 PolarHBondContact O-N 2.96Å; S167-R169 WeakPolarHBondContact OG-CG 3.42Å; S167-R169 PolarHBondContact OG-NE 3.07Å; R169-I171 VanDerWaalsContact C-N 3.34Å; R169-D192 HydrophobicContact CB-CB 4.49Å |
| 170 | N | 96.2 | Very high | 97.5 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 20% | 0.203 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -90 | -1.5 | 179 | -68.3 | -12.7 | 0 | 0 | 0 | 112.4 | H140 I141 S167 V168 | H140-N170 WeakPolarHBondContact CA-O 3.38Å; H140-N170 PolarHBondContact CE1-OD1 3.47Å; I141-N170 PolarHBondContact N-O 2.88Å; S167-N170 WeakPolarHBondContact O-CB 3.48Å; S167-N170 PolarHBondContact O-N 2.89Å; V168-N170 PolarHBondContact O-N 2.73Å |
| 171 | I | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.6 | 178.8 | -53.9 | 174.4 | 0 | 0 | 0 | 108.7 | I141 L143 I158 L161 V166 V168 R169 L193 | I141-I171 HydrophobicContact CB-CG1 4.47Å; L143-I171 HydrophobicContact CB-CG2 3.95Å; L143-I171 HydrophobicContact CD2-CG2 4.25Å; I158-I171 HydrophobicContact CG1-CD1 4.36Å; I158-I171 HydrophobicContact CG2-CD1 4.01Å; L161-I171 HydrophobicContact CB-CD1 4.09Å; L161-I171 HydrophobicContact CD1-CD1 3.81Å; L161-I171 HydrophobicContact CD1-CG1 4.36Å; V166-I171 HydrophobicContact CG1-CD1 4.05Å; V166-I171 HydrophobicContact CG1-CG1 3.81Å; V168-I171 WeakPolarHBondContact O-CB 3.47Å; V168-I171 PolarHBondContact O-N 2.95Å; R169-I171 VanDerWaalsContact C-N 3.34Å; I171-L193 HydrophobicContact CB-CD1 3.91Å; I171-L193 HydrophobicContact CG2-CD1 3.67Å |
| 172 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.1 | 167.2 | -60.8 | 154.2 | 0 | 0 | 0 | 106.2 | L61 L62 I141 L142 L143 V174 R194 V196 | L61-I172 HydrophobicContact CB-CD1 3.66Å; L61-I172 HydrophobicContact CB-CG1 4.28Å; L61-I172 HydrophobicContact CD1-CG2 4.08Å; L62-I172 HydrophobicContact CD2-CD1 3.78Å; L62-I172 HydrophobicContact CG-CD1 4.31Å; I141-I172 PolarHBondContact O-N 3.28Å; L142-I172 CarbonylContact C-O 3.55Å; L142-I172 WeakPolarHBondContact CA-O 3.31Å; L142-I172 HydrophobicContact CD2-CB 3.99Å; L142-I172 HydrophobicContact CD2-CD1 3.95Å; L142-I172 HydrophobicContact CD2-CG2 4.23Å; L143-I172 PolarHBondContact N-O 3.02Å; I172-V174 PolarHBondContact O-N 2.95Å; I172-R194 CarbonylContact C-O 3.54Å; I172-R194 WeakPolarHBondContact CA-O 3.25Å; I172-R194 HydrophobicContact CG1-CB 4.31Å; I172-V196 HydrophobicContact CG2-CG2 3.99Å |
| 173 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.4 | 171.1 | 177.2 | 64.7 | 0 | 0 | 0 | 109.1 | L143 M148 V154 N175 L186 L193 R194 I195 V196 | L143-L173 HydrophobicContact CB-CD1 4.41Å; L143-L173 HydrophobicContact CD2-CD1 4.2Å; L143-L173 HydrophobicContact CG-CD1 4.16Å; M148-L173 HydrophobicContact CE-CD2 4.15Å; M148-L173 HydrophobicContact SD-CD2 3.94Å; V154-L173 HydrophobicContact CG1-CD1 3.78Å; V154-L173 HydrophobicContact CG1-CD2 3.87Å; V154-L173 HydrophobicContact CG1-CG 4.41Å; V154-L173 HydrophobicContact CG2-CD1 4.13Å; L173-N175 HydrophobicContact CG-CB 4.4Å; L173-L186 HydrophobicContact CD2-CD1 3.74Å; L173-L193 HydrophobicContact CB-CD1 4.47Å; L173-R194 PolarHBondContact N-O 3.4Å; L173-I195 HydrophobicContact CB-CB 4.48Å; L173-I195 HydrophobicContact CB-CG1 4.14Å; L173-I195 HydrophobicContact CB-CG2 4.41Å; L173-I195 HydrophobicContact CD2-CD1 4.24Å; L173-I195 HydrophobicContact CD2-CG1 4.07Å; L173-I195 HydrophobicContact CD2-CG2 4.02Å; L173-I195 HydrophobicContact CG-CG2 4.38Å; L173-V196 PolarHBondContact O-N 3.11Å |
| 174 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 108.8 | 176.1 | -169.9 | 0 | 0 | 0 | 0 | 107.8 | V54 I55 M98 L142 L143 L144 Y145 I172 | V54-V174 HydrophobicContact CG1-CG1 3.65Å; I55-V174 HydrophobicContact CG1-CG1 4.17Å; M98-V174 HydrophobicContact CE-CB 4.19Å; M98-V174 HydrophobicContact CE-CG1 3.46Å; M98-V174 VanDerWaalsContact CE-CG1 3.46Å; L142-V174 HydrophobicContact CB-CG2 3.97Å; L142-V174 HydrophobicContact CD2-CG2 4.07Å; L143-V174 PolarHBondContact O-N 3.27Å; L144-V174 HydrophobicContact CD2-CB 3.88Å; L144-V174 HydrophobicContact CD2-CG1 4.37Å; L144-V174 HydrophobicContact CD2-CG2 3.94Å; Y145-V174 PolarHBondContact N-O 3.05Å; I172-V174 PolarHBondContact O-N 2.95Å |
| 175 | N | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -128.8 | 151.7 | -173.6 | 175.6 | -106.4 | 0 | 0 | 0 | 110.6 | V54 Y145 P146 L173 F177 C178 V196 T197 | V54-N175 VanDerWaalsContact CG1-O 3.25Å; V54-N175 WeakPolarHBondContact CG1-O 3.31Å; Y145-N175 WeakPolarHBondContact O-CA 3.23Å; Y145-N175 PolarHBondContact O-ND2 3.39Å; P146-N175 PolarHBondContact O-ND2 3.36Å; P146-N175 VanDerWaalsContact O-ND2 3.07Å; L173-N175 HydrophobicContact CG-CB 4.4Å; N175-F177 PolarHBondContact ND2-O 2.91Å; N175-F177 PolarHBondContact OD1-N 2.85Å; N175-F177 PolarHBondContact OD1-O 3.49Å; N175-F177 VanDerWaalsContact OD1-O 3.06Å; N175-C178 WeakPolarHBondContact OD1-CB 3.37Å; N175-C178 PolarHBondContact OD1-N 3.01Å; N175-V196 PolarHBondContact N-O 3.48Å; N175-V196 VanDerWaalsContact O-O 3.11Å; N175-T197 WeakPolarHBondContact O-CA 3.25Å; N175-T197 PolarHBondContact OD1-OG1 2.86Å; N175-T197 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 176 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -98.7 | -47.5 | 174 | -54 | -179 | 0 | 0 | 0 | 110.3 | L50 I51 V54 M98 P146 T197 S198 E199 F208 | L50-L176 HydrophobicContact CG-CD2 4.37Å; I51-L176 HydrophobicContact CD1-CD1 4.44Å; I51-L176 HydrophobicContact CG1-CD1 3.76Å; I51-L176 HydrophobicContact CG1-CD2 4.05Å; I51-L176 HydrophobicContact CG1-CG 4.47Å; V54-L176 HydrophobicContact CB-CD2 3.99Å; V54-L176 HydrophobicContact CG1-CD2 4.26Å; V54-L176 HydrophobicContact CG2-CD2 3.69Å; M98-L176 HydrophobicContact CE-CD2 3.89Å; M98-L176 HydrophobicContact CE-CG 4.21Å; P146-L176 HydrophobicContact CB-CD1 3.89Å; P146-L176 HydrophobicContact CB-CG 4.04Å; P146-L176 WeakPolarHBondContact O-CA 3.3Å; P146-L176 VanDerWaalsContact O-CB 3.28Å; P146-L176 WeakPolarHBondContact O-CB 2.99Å; P146-L176 PolarHBondContact O-N 2.98Å; L176-T197 PolarHBondContact O-OG1 3.25Å; L176-S198 WeakPolarHBondContact O-CB 3.45Å; L176-S198 PolarHBondContact O-N 3.37Å; L176-S198 VanDerWaalsContact O-N 3.08Å; L176-S198 PolarHBondContact O-OG 3.17Å; L176-E199 PolarHBondContact O-N 2.76Å; L176-F208 HydrophobicContact CD1-CE1 4.19Å; L176-F208 HydrophobicContact CD1-CE2 3.62Å; L176-F208 HydrophobicContact CD1-CZ 3.4Å; L176-F208 VanDerWaalsContact CD1-CZ 3.4Å |
| 177 | F | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.3 | -176.4 | -53.1 | -87.5 | 0 | 0 | 0 | 110.3 | Q30 I33 L50 P146 V147 M148 N175 E199 P204 P205 F208 | Q30-F177 HydrophobicContact CB-CE1 4.46Å; Q30-F177 HydrophobicContact CG-CE1 3.99Å; Q30-F177 HydrophobicContact CG-CZ 4.31Å; I33-F177 HydrophobicContact CD1-CZ 4.3Å; I33-F177 HydrophobicContact CG2-CE2 4.1Å; I33-F177 HydrophobicContact CG2-CZ 3.99Å; L50-F177 HydrophobicContact CD2-CE2 4.1Å; L50-F177 HydrophobicContact CD2-CZ 3.72Å; P146-F177 PolarHBondContact O-N 3.42Å; V147-F177 CarbonylContact C-O 3.6Å; V147-F177 WeakPolarHBondContact CA-O 3.28Å; V147-F177 HydrophobicContact CG2-CD2 4.13Å; M148-F177 PolarHBondContact N-O 3.05Å; N175-F177 PolarHBondContact ND2-O 2.91Å; N175-F177 PolarHBondContact OD1-N 2.85Å; N175-F177 PolarHBondContact OD1-O 3.49Å; N175-F177 VanDerWaalsContact OD1-O 3.06Å; F177-E199 HydrophobicContact CD1-CB 3.81Å; F177-E199 HydrophobicContact CE1-CB 4.26Å; F177-E199 WeakPolarHBondContact CE1-OE2 3.49Å; F177-P204 HydrophobicContact CB-CB 3.88Å; F177-P205 HydrophobicContact CB-CG 4.48Å; F177-P205 HydrophobicContact CD1-CG 3.89Å; F177-P205 HydrophobicContact CD2-CG 3.53Å; F177-P205 HydrophobicContact CE1-CG 3.95Å; F177-P205 HydrophobicContact CE2-CG 3.6Å; F177-P205 VanDerWaalsContact CG-CD 3.45Å; F177-P205 HydrophobicContact CG-CG 3.71Å; F177-P205 HydrophobicContact CZ-CG 3.82Å; F177-F208 HydrophobicContact CE2-CD2 4.04Å; F177-F208 HydrophobicContact CE2-CE2 4.2Å |
| 178 | C | 97.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 163.1 | 174 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | M148 N175 L183 E199 C200 D201 | M148-C178 HydrophobicContact CB-CB 4.29Å; M148-C178 HydrophobicContact CE-CB 3.76Å; M148-C178 WeakPolarHBondContact O-CA 3.4Å; N175-C178 WeakPolarHBondContact OD1-CB 3.37Å; N175-C178 PolarHBondContact OD1-N 3.01Å; C178-L183 HydrophobicContact CB-CD2 4.37Å; C178-L183 HydrophobicContact CB-CG 4.47Å; C178-E199 PolarHBondContact N-O 2.81Å; C178-E199 PolarHBondContact SG-O 3.19Å; C178-E199 VanDerWaalsContact SG-O 3.42Å; C178-C200 CarbonylContact O-C 3.58Å; C178-C200 VanDerWaalsContact O-CA 3.27Å; C178-C200 WeakPolarHBondContact O-CA 3.49Å; C178-D201 PolarHBondContact O-N 2.74Å |
| 179 | T | 96.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | trans | -100.1 | 155.7 | 168.8 | 67.1 | 0 | 0 | 0 | 0 | 110.5 | M148 N149 H181 S182 L183 D201 P204 | M148-T179 PolarHBondContact O-N 3.13Å; M148-T179 VanDerWaalsContact O-N 3.14Å; N149-T179 PolarHBondContact O-OG1 3.46Å; T179-H181 VanDerWaalsContact C-N 3.25Å; T179-H181 PolarHBondContact O-N 2.92Å; T179-S182 PolarHBondContact N-OG 3.1Å; T179-S182 VanDerWaalsContact N-OG 3.16Å; T179-S182 PolarHBondContact O-N 3.36Å; T179-S182 VanDerWaalsContact O-N 3.11Å; T179-S182 PolarHBondContact O-OG 2.71Å; T179-S182 WeakPolarHBondContact OG1-CB 3.49Å; T179-S182 PolarHBondContact OG1-N 2.94Å; T179-S182 PolarHBondContact OG1-OG 3.35Å; T179-L183 PolarHBondContact O-N 3.4Å; T179-D201 WeakPolarHBondContact CA-O 3.42Å; T179-P204 HydrophobicContact CG2-CG 3.9Å | ||
| 180 | P | 95.3 | Very high | 96.4 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 16% | 0.162 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.8 | -43.6 | 172.4 | -25.8 | 35 | 0 | 0 | 0 | 112.3 | Y10 S182 L183 D184 D202 | Y10-P180 HydrophobicContact CD1-CG 4.24Å; Y10-P180 HydrophobicContact CE1-CB 4.07Å; Y10-P180 HydrophobicContact CE1-CG 3.34Å; Y10-P180 HydrophobicContact CE2-CG 4.28Å; Y10-P180 VanDerWaalsContact OH-CG 3.25Å; Y10-P180 WeakPolarHBondContact OH-CG 3.48Å; P180-S182 VanDerWaalsContact C-N 3.3Å; P180-S182 PolarHBondContact O-N 2.83Å; P180-L183 WeakPolarHBondContact O-CB 3.48Å; P180-L183 PolarHBondContact O-N 3.32Å; P180-L183 VanDerWaalsContact O-N 3.08Å; P180-D184 PolarHBondContact O-N 3.15Å; P180-D202 WeakPolarHBondContact CD-OD1 3.45Å |
| 181 | H | 95.1 | Very high | 96.3 | Very high | 108 Ų | 108 | 30.8 Ų | 30.8 | 50% | 0.5 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 177.5 | 177 | 58.1 | 0 | 0 | 0 | 112.5 | T179 L183 D184 V185 | T179-H181 VanDerWaalsContact C-N 3.25Å; T179-H181 PolarHBondContact O-N 2.92Å; H181-L183 VanDerWaalsContact C-N 3.29Å; H181-L183 PolarHBondContact O-N 3.31Å; H181-D184 PolarHBondContact O-N 3.4Å; H181-V185 WeakPolarHBondContact O-CG2 3.33Å; H181-V185 PolarHBondContact O-N 3.45Å; H181-V185 VanDerWaalsContact O-N 3.08Å |
| 182 | S | 95.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -32.4 | 178.5 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | M148 T179 P180 L186 | M148-S182 WeakPolarHBondContact CE-OG 3.21Å; M148-S182 PolarHBondContact O-OG 2.69Å; T179-S182 PolarHBondContact N-OG 3.1Å; T179-S182 VanDerWaalsContact N-OG 3.16Å; T179-S182 PolarHBondContact O-N 3.36Å; T179-S182 VanDerWaalsContact O-N 3.11Å; T179-S182 PolarHBondContact O-OG 2.71Å; T179-S182 WeakPolarHBondContact OG1-CB 3.49Å; T179-S182 PolarHBondContact OG1-N 2.94Å; T179-S182 PolarHBondContact OG1-OG 3.35Å; P180-S182 VanDerWaalsContact C-N 3.3Å; P180-S182 PolarHBondContact O-N 2.83Å; S182-L186 WeakPolarHBondContact O-CG 3.34Å; S182-L186 PolarHBondContact O-N 3.35Å |
| 183 | L | 95.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.4 | -40.3 | 175.7 | -64.5 | 179 | 0 | 0 | 0 | 111.3 | L13 V17 M148 C178 T179 P180 H181 L186 R187 I195 C200 | L13-L183 HydrophobicContact CD2-CD1 3.43Å; L13-L183 VanDerWaalsContact CD2-CD1 3.43Å; V17-L183 HydrophobicContact CG1-CD1 4.41Å; V17-L183 HydrophobicContact CG1-CD2 4.5Å; V17-L183 HydrophobicContact CG2-CD2 4.38Å; M148-L183 HydrophobicContact CE-CD2 3.98Å; C178-L183 HydrophobicContact CB-CD2 4.37Å; C178-L183 HydrophobicContact CB-CG 4.47Å; T179-L183 PolarHBondContact O-N 3.4Å; P180-L183 WeakPolarHBondContact O-CB 3.48Å; P180-L183 PolarHBondContact O-N 3.32Å; P180-L183 VanDerWaalsContact O-N 3.08Å; H181-L183 VanDerWaalsContact C-N 3.29Å; H181-L183 PolarHBondContact O-N 3.31Å; L183-L186 PolarHBondContact O-N 2.96Å; L183-R187 VanDerWaalsContact O-CB 3.25Å; L183-R187 WeakPolarHBondContact O-CB 3.5Å; L183-R187 PolarHBondContact O-N 3.42Å; L183-I195 HydrophobicContact CD2-CD1 3.7Å; L183-I195 HydrophobicContact CD2-CG2 4.31Å; L183-C200 HydrophobicContact CD1-CB 4.4Å |
| 184 | D | 94.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 33% | 0.332 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.8 | -68.9 | -32.1 | 0 | 0 | 0 | 111.1 | P180 H181 L186 R187 D188 | P180-D184 PolarHBondContact O-N 3.15Å; H181-D184 PolarHBondContact O-N 3.4Å; D184-L186 PolarHBondContact O-N 3.28Å; D184-R187 PolarHBondContact O-N 2.96Å; D184-R187 IonicContact OD1-CZ 3.13Å; D184-R187 IonicContact OD1-NH1 3.47Å; D184-R187 PolarHBondContact OD1-NH1 2.74Å; D184-R187 IonicContact OD1-NH2 2.77Å; D184-R187 PolarHBondContact OD1-NH2 3.32Å; D184-D188 WeakPolarHBondContact O-CB 3.07Å; D184-D188 PolarHBondContact O-N 2.68Å |
| 185 | V | 94.4 | Very high | 96 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.7 | -49 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | H181 D188 E189 | H181-V185 WeakPolarHBondContact O-CG2 3.33Å; H181-V185 PolarHBondContact O-N 3.45Å; H181-V185 VanDerWaalsContact O-N 3.08Å; V185-D188 PolarHBondContact O-N 3.43Å; V185-E189 PolarHBondContact O-N 2.82Å |
| 186 | L | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.9 | -33.5 | -178.9 | -70 | -178.6 | 0 | 0 | 0 | 113 | M148 V154 A155 I158 L173 S182 L183 D184 F190 L193 I195 | M148-L186 HydrophobicContact CE-CD1 3.68Å; M148-L186 HydrophobicContact SD-CD1 3.48Å; M148-L186 WeakPolarHBondContact SD-CD1 3.5Å; M148-L186 HydrophobicContact SD-CG 4.46Å; V154-L186 HydrophobicContact CB-CD1 4.31Å; V154-L186 HydrophobicContact CB-CD2 4.26Å; V154-L186 HydrophobicContact CG1-CD1 3.9Å; V154-L186 HydrophobicContact CG1-CD2 4.03Å; A155-L186 HydrophobicContact CB-CD2 4.06Å; I158-L186 HydrophobicContact CD1-CD2 4.39Å; L173-L186 HydrophobicContact CD2-CD1 3.74Å; S182-L186 WeakPolarHBondContact O-CG 3.34Å; S182-L186 PolarHBondContact O-N 3.35Å; L183-L186 PolarHBondContact O-N 2.96Å; D184-L186 PolarHBondContact O-N 3.28Å; L186-F190 HydrophobicContact CD2-CD2 4Å; L186-F190 HydrophobicContact CD2-CE2 4.27Å; L186-F190 CarbonylContact O-C 3.58Å; L186-F190 VanDerWaalsContact O-CA 3.3Å; L186-F190 WeakPolarHBondContact O-CA 3.41Å; L186-F190 WeakPolarHBondContact O-CB 3.27Å; L186-F190 PolarHBondContact O-N 2.68Å; L186-L193 HydrophobicContact CB-CD2 4.24Å; L186-L193 HydrophobicContact CD1-CD2 4.01Å; L186-I195 HydrophobicContact CB-CD1 4.41Å; L186-I195 HydrophobicContact CD1-CD1 4.03Å |
| 187 | R | 93.6 | Very high | 96 | Very high | 101 Ų | 101 | 39.5 Ų | 39.5 | 38% | 0.381 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 176.4 | 178.9 | -173.8 | 63.9 | -139.5 | -7.7 | 111 | N14 L183 D184 P191 | N14-R187 VanDerWaalsContact ND2-CD 3.26Å; N14-R187 WeakPolarHBondContact ND2-CD 3.45Å; L183-R187 VanDerWaalsContact O-CB 3.25Å; L183-R187 WeakPolarHBondContact O-CB 3.5Å; L183-R187 PolarHBondContact O-N 3.42Å; D184-R187 PolarHBondContact O-N 2.96Å; D184-R187 IonicContact OD1-CZ 3.13Å; D184-R187 IonicContact OD1-NH1 3.47Å; D184-R187 PolarHBondContact OD1-NH1 2.74Å; D184-R187 IonicContact OD1-NH2 2.77Å; D184-R187 PolarHBondContact OD1-NH2 3.32Å; R187-P191 WeakPolarHBondContact O-CA 3.26Å |
| 188 | D | 94.5 | Very high | 96 | Very high | 119 Ų | 119 | 39.4 Ų | 39.4 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -70 | -36.8 | -175.9 | -65.5 | -5.6 | 0 | 0 | 0 | 111.1 | D184 V185 | D184-D188 WeakPolarHBondContact O-CB 3.07Å; D184-D188 PolarHBondContact O-N 2.68Å; V185-D188 PolarHBondContact O-N 3.43Å |
| 189 | E | 95.5 | Very high | 95.9 | Very high | 95 Ų | 95 | 40.7 Ų | 40.7 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -85.8 | -32.2 | 178.9 | -67.8 | -177.3 | -154.1 | 0 | 0 | 114.2 | A155 V185 | A155-E189 WeakPolarHBondContact CB-OE2 3.42Å; V185-E189 PolarHBondContact O-N 2.82Å |
| 190 | F | 96.7 | Very high | 95.9 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | trans | -138.2 | 67.6 | -171.4 | -50.8 | -70.8 | 0 | 0 | 0 | 111.7 | A155 I158 E159 V168 L186 D192 L193 | A155-F190 HydrophobicContact CB-CE2 3.64Å; A155-F190 HydrophobicContact CB-CZ 4.28Å; I158-F190 HydrophobicContact CB-CE1 4.19Å; I158-F190 HydrophobicContact CB-CE2 4.35Å; I158-F190 HydrophobicContact CB-CZ 4.1Å; I158-F190 HydrophobicContact CD1-CD2 3.99Å; I158-F190 HydrophobicContact CD1-CE2 4.31Å; I158-F190 HydrophobicContact CD1-CG 4.28Å; I158-F190 HydrophobicContact CG2-CD1 3.59Å; I158-F190 HydrophobicContact CG2-CD2 4.44Å; I158-F190 HydrophobicContact CG2-CE1 3.5Å; I158-F190 VanDerWaalsContact CG2-CE1 3.5Å; I158-F190 HydrophobicContact CG2-CE2 4.38Å; I158-F190 HydrophobicContact CG2-CG 4.08Å; I158-F190 HydrophobicContact CG2-CZ 3.93Å; E159-F190 HydrophobicContact CG-CZ 4.4Å; V168-F190 HydrophobicContact CG1-CB 3.98Å; V168-F190 HydrophobicContact CG2-CD1 4.1Å; L186-F190 HydrophobicContact CD2-CD2 4Å; L186-F190 HydrophobicContact CD2-CE2 4.27Å; L186-F190 CarbonylContact O-C 3.58Å; L186-F190 VanDerWaalsContact O-CA 3.3Å; L186-F190 WeakPolarHBondContact O-CA 3.41Å; L186-F190 WeakPolarHBondContact O-CB 3.27Å; L186-F190 PolarHBondContact O-N 2.68Å; F190-D192 PolarHBondContact O-N 3.16Å; F190-L193 HydrophobicContact CB-CB 3.93Å; F190-L193 VanDerWaalsContact O-CB 3.23Å; F190-L193 WeakPolarHBondContact O-CB 3.36Å; F190-L193 PolarHBondContact O-N 3.38Å | ||
| 191 | P | 94.6 | Very high | 95.9 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.1 | -173.8 | 22.2 | -34.3 | 0 | 0 | 0 | 114.3 | N16 R187 | N16-P191 PolarHBondContact ND2-O 3.14Å; R187-P191 WeakPolarHBondContact O-CA 3.26Å |
| 192 | D | 95.2 | Very high | 95.8 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 56% | 0.556 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.2 | 178.2 | -64.3 | -35.4 | 0 | 0 | 0 | 114.3 | V168 R169 F190 R194 | V168-D192 HydrophobicContact CG1-CB 4.19Å; R169-D192 HydrophobicContact CB-CB 4.49Å; F190-D192 PolarHBondContact O-N 3.16Å; D192-R194 PolarHBondContact O-N 3.25Å |
| 193 | L | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -72.6 | 126.6 | -179 | 177.9 | 68.8 | 0 | 0 | 0 | 110.1 | N16 I158 V168 I171 L173 L186 F190 I195 | N16-L193 WeakPolarHBondContact CB-O 3.47Å; I158-L193 HydrophobicContact CD1-CD1 3.91Å; I158-L193 HydrophobicContact CD1-CD2 3.56Å; I158-L193 HydrophobicContact CD1-CG 4.32Å; V168-L193 HydrophobicContact CG1-CB 3.96Å; I171-L193 HydrophobicContact CB-CD1 3.91Å; I171-L193 HydrophobicContact CG2-CD1 3.67Å; L173-L193 HydrophobicContact CB-CD1 4.47Å; L186-L193 HydrophobicContact CB-CD2 4.24Å; L186-L193 HydrophobicContact CD1-CD2 4.01Å; F190-L193 HydrophobicContact CB-CB 3.93Å; F190-L193 VanDerWaalsContact O-CB 3.23Å; F190-L193 WeakPolarHBondContact O-CB 3.36Å; F190-L193 PolarHBondContact O-N 3.38Å; L193-I195 HydrophobicContact CD2-CD1 4.11Å; L193-I195 HydrophobicContact CD2-CG1 3.97Å; L193-I195 HydrophobicContact CG-CG1 4.05Å | ||
| 194 | R | 97 | Very high | 95.7 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 25% | 0.249 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.1 | 169.5 | -67.6 | -175.6 | -68.3 | 166.6 | 4 | 110.3 | N16 L61 I172 L173 D192 | N16-R194 WeakPolarHBondContact O-CA 3.37Å; L61-R194 PolarHBondContact O-NH1 3.08Å; L61-R194 PolarHBondContact O-NH2 2.66Å; I172-R194 CarbonylContact C-O 3.54Å; I172-R194 WeakPolarHBondContact CA-O 3.25Å; I172-R194 HydrophobicContact CG1-CB 4.31Å; L173-R194 PolarHBondContact N-O 3.4Å; D192-R194 PolarHBondContact O-N 3.25Å |
| 195 | I | 97.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.3 | -179.4 | -55.3 | 177.4 | 0 | 0 | 0 | 108.7 | N16 V17 L18 L173 L183 L186 L193 | N16-I195 PolarHBondContact O-N 2.88Å; V17-I195 CarbonylContact C-O 3.58Å; V17-I195 WeakPolarHBondContact CA-O 3.33Å; V17-I195 HydrophobicContact CG1-CB 4.42Å; V17-I195 HydrophobicContact CG2-CB 4.28Å; V17-I195 HydrophobicContact CG2-CD1 4.29Å; L18-I195 PolarHBondContact N-O 3.3Å; L173-I195 HydrophobicContact CB-CB 4.48Å; L173-I195 HydrophobicContact CB-CG1 4.14Å; L173-I195 HydrophobicContact CB-CG2 4.41Å; L173-I195 HydrophobicContact CD2-CD1 4.24Å; L173-I195 HydrophobicContact CD2-CG1 4.07Å; L173-I195 HydrophobicContact CD2-CG2 4.02Å; L173-I195 HydrophobicContact CG-CG2 4.38Å; L183-I195 HydrophobicContact CD2-CD1 3.7Å; L183-I195 HydrophobicContact CD2-CG2 4.31Å; L186-I195 HydrophobicContact CB-CD1 4.41Å; L186-I195 HydrophobicContact CD1-CD1 4.03Å; L193-I195 HydrophobicContact CD2-CD1 4.11Å; L193-I195 HydrophobicContact CD2-CG1 3.97Å; L193-I195 HydrophobicContact CG-CG1 4.05Å |
| 196 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.4 | 168.9 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | L18 L20 V54 E57 S58 L61 I172 L173 N175 | L18-V196 HydrophobicContact CB-CG2 4.4Å; L18-V196 HydrophobicContact CD2-CG1 4.24Å; L18-V196 WeakPolarHBondContact O-CA 3.46Å; L20-V196 HydrophobicContact CD2-CG1 4.42Å; V54-V196 HydrophobicContact CG1-CG1 4.09Å; E57-V196 HydrophobicContact CB-CG1 4.27Å; E57-V196 HydrophobicContact CG-CG1 4.27Å; S58-V196 WeakPolarHBondContact OG-CB 3.36Å; L61-V196 HydrophobicContact CD1-CG2 3.41Å; L61-V196 VanDerWaalsContact CD1-CG2 3.41Å; L61-V196 HydrophobicContact CG-CG2 4.47Å; I172-V196 HydrophobicContact CG2-CG2 3.99Å; L173-V196 PolarHBondContact O-N 3.11Å; N175-V196 PolarHBondContact N-O 3.48Å; N175-V196 VanDerWaalsContact O-O 3.11Å |
| 197 | T | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 158.4 | 178.7 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | V17 L18 T19 L20 N175 L176 E199 | V17-T197 HydrophobicContact CG1-CG2 4.39Å; L18-T197 PolarHBondContact O-N 3.31Å; T19-T197 CarbonylContact C-O 3.5Å; T19-T197 WeakPolarHBondContact CA-O 3.28Å; T19-T197 HydrophobicContact CG2-CG2 4.49Å; L20-T197 PolarHBondContact N-O 3.46Å; N175-T197 WeakPolarHBondContact O-CA 3.25Å; N175-T197 PolarHBondContact OD1-OG1 2.86Å; N175-T197 VanDerWaalsContact OD1-OG1 3.08Å; L176-T197 PolarHBondContact O-OG1 3.25Å; T197-E199 PolarHBondContact OG1-N 3.26Å; T197-E199 PolarHBondContact OG1-O 3.5Å; T197-E199 VanDerWaalsContact OG1-O 3.05Å |
| 198 | S | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -92.2 | -27.1 | 170.1 | 85.3 | 0 | 0 | 0 | 0 | 112.8 | Q30 L176 | Q30-S198 PolarHBondContact NE2-O 2.96Å; Q30-S198 PolarHBondContact NE2-OG 3.31Å; Q30-S198 VanDerWaalsContact NE2-OG 3.15Å; L176-S198 WeakPolarHBondContact O-CB 3.45Å; L176-S198 PolarHBondContact O-N 3.37Å; L176-S198 VanDerWaalsContact O-N 3.08Å; L176-S198 PolarHBondContact O-OG 3.17Å |
| 199 | E | 96.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 138.2 | -173.5 | -158.8 | -178.6 | 135 | 0 | 0 | 110.6 | Q30 R34 L176 F177 C178 T197 D201 | Q30-E199 VanDerWaalsContact CD-OE2 3.3Å; R34-E199 IonicContact CZ-OE1 2.74Å; R34-E199 IonicContact NE-OE1 2.73Å; R34-E199 PolarHBondContact NE-OE1 3.47Å; R34-E199 IonicContact NE-OE2 2.68Å; R34-E199 IonicContact NH2-OE1 2.94Å; R34-E199 PolarHBondContact NH2-OE1 3.24Å; R34-E199 IonicContact NH2-OE2 3.41Å; L176-E199 PolarHBondContact O-N 2.76Å; F177-E199 HydrophobicContact CD1-CB 3.81Å; F177-E199 HydrophobicContact CE1-CB 4.26Å; F177-E199 WeakPolarHBondContact CE1-OE2 3.49Å; C178-E199 PolarHBondContact N-O 2.81Å; C178-E199 PolarHBondContact SG-O 3.19Å; C178-E199 VanDerWaalsContact SG-O 3.42Å; T197-E199 PolarHBondContact OG1-N 3.26Å; T197-E199 PolarHBondContact OG1-O 3.5Å; T197-E199 VanDerWaalsContact OG1-O 3.05Å; E199-D201 HydrophobicContact CG-CB 4.33Å; E199-D201 WeakPolarHBondContact OE1-CB 3.35Å |
| 200 | C | 95.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.081 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.3 | 164.6 | -175 | 0 | 0 | 0 | 0 | 106.5 | Y10 C178 L183 | Y10-C200 HydrophobicContact CD2-CB 3.98Å; Y10-C200 WeakPolarHBondContact CD2-O 3.47Å; Y10-C200 HydrophobicContact CE2-CB 4.27Å; Y10-C200 WeakPolarHBondContact CE2-O 3.22Å; C178-C200 CarbonylContact O-C 3.58Å; C178-C200 VanDerWaalsContact O-CA 3.27Å; C178-C200 WeakPolarHBondContact O-CA 3.49Å; L183-C200 HydrophobicContact CD1-CB 4.4Å |
| 201 | D | 94.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | trans | -154.3 | 153.2 | -178.2 | -166.8 | -84.9 | 0 | 0 | 0 | 109.8 | C178 T179 E199 D203 | C178-D201 PolarHBondContact O-N 2.74Å; T179-D201 WeakPolarHBondContact CA-O 3.42Å; E199-D201 HydrophobicContact CG-CB 4.33Å; E199-D201 WeakPolarHBondContact OE1-CB 3.35Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.44Å; D201-D203 PolarHBondContact OD1-N 3.48Å | ||
| 202 | D | 94.5 | Very high | 95.4 | Very high | 123 Ų | 123 | 38.5 Ų | 38.5 | 66% | 0.658 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -70.9 | -21.4 | -179.4 | -69.8 | -43.7 | 0 | 0 | 0 | 112.8 | P180 P204 | P180-D202 WeakPolarHBondContact CD-OD1 3.45Å; D202-P204 WeakPolarHBondContact O-CD 3.41Å |
| 203 | D | 94.1 | Very high | 95.4 | Very high | 106 Ų | 106 | 37.3 Ų | 37.3 | 57% | 0.567 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -118.7 | 75.8 | 178.6 | -177.3 | 35.7 | 0 | 0 | 0 | 111 | R34 D201 | R34-D203 PolarHBondContact NH1-O 3.38Å; R34-D203 PolarHBondContact NH2-O 2.79Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3.44Å; D201-D203 PolarHBondContact OD1-N 3.48Å |
| 204 | P | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | trans | -69.5 | 154 | 174.9 | 31.2 | -36 | 0 | 0 | 0 | 110.8 | V147 N149 F177 T179 D202 N206 | V147-P204 HydrophobicContact CG1-CB 3.97Å; V147-P204 HydrophobicContact CG1-CG 4.32Å; N149-P204 VanDerWaalsContact OD1-CG 3.25Å; N149-P204 WeakPolarHBondContact OD1-CG 3.32Å; F177-P204 HydrophobicContact CB-CB 3.88Å; T179-P204 HydrophobicContact CG2-CG 3.9Å; D202-P204 WeakPolarHBondContact O-CD 3.41Å; P204-N206 VanDerWaalsContact C-N 3.31Å; P204-N206 PolarHBondContact O-N 2.91Å; P204-N206 PolarHBondContact O-ND2 2.94Å | ||
| 205 | P | 95.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | trans | -68.4 | 84 | -179.9 | 29 | -34.7 | 0 | 0 | 0 | 111.4 | I33 R34 F177 H207 F208 | I33-P205 HydrophobicContact CG2-CB 4.26Å; I33-P205 HydrophobicContact CG2-CG 4.1Å; R34-P205 HydrophobicContact CG-CB 4.21Å; F177-P205 HydrophobicContact CB-CG 4.48Å; F177-P205 HydrophobicContact CD1-CG 3.89Å; F177-P205 HydrophobicContact CD2-CG 3.53Å; F177-P205 HydrophobicContact CE1-CG 3.95Å; F177-P205 HydrophobicContact CE2-CG 3.6Å; F177-P205 VanDerWaalsContact CG-CD 3.45Å; F177-P205 HydrophobicContact CG-CG 3.71Å; F177-P205 HydrophobicContact CZ-CG 3.82Å; P205-H207 PolarHBondContact O-N 2.77Å; P205-F208 WeakPolarHBondContact O-CB 3.25Å; P205-F208 PolarHBondContact O-N 3.32Å | ||
| 206 | N | 94.2 | Very high | 93.4 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.6 | -174.7 | -78 | -51.1 | 0 | 0 | 0 | 113.6 | N149 P204 F208 | N149-N206 PolarHBondContact ND2-OD1 2.7Å; N149-N206 PolarHBondContact OD1-OD1 3.04Å; P204-N206 VanDerWaalsContact C-N 3.31Å; P204-N206 PolarHBondContact O-N 2.91Å; P204-N206 PolarHBondContact O-ND2 2.94Å; N206-F208 PolarHBondContact O-N 2.99Å |
| 207 | H | 93.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 27% | 0.269 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -3.3 | 171.4 | 62.9 | -79.8 | 0 | 0 | 0 | 113.8 | I33 P205 C209 E210 K211 | I33-H207 PolarHBondContact O-NE2 2.98Å; P205-H207 PolarHBondContact O-N 2.77Å; H207-C209 VanDerWaalsContact C-N 3.35Å; H207-C209 PolarHBondContact O-N 3.32Å; H207-E210 PolarHBondContact O-N 3.08Å; H207-K211 WeakPolarHBondContact O-CB 3.22Å; H207-K211 PolarHBondContact O-N 2.97Å |
| 208 | F | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52 | -51.7 | -171.5 | -178.7 | -79.4 | 0 | 0 | 0 | 112.5 | I33 F43 A47 I51 V97 P146 V147 L176 F177 P205 N206 K211 Y212 | I33-F208 HydrophobicContact CD1-CE2 4.43Å; I33-F208 HydrophobicContact CG2-CD2 3.68Å; I33-F208 HydrophobicContact CG2-CE2 4.06Å; F43-F208 HydrophobicContact CZ-CB 4.39Å; F43-F208 AromaticContact CZ-CD2 3.77Å; F43-F208 HydrophobicContact CZ-CD2 3.77Å; F43-F208 HydrophobicContact CZ-CE2 4.13Å; F43-F208 HydrophobicContact CZ-CG 4.03Å; F43-F208 WeakPolarHBondContact CZ-O 3.4Å; A47-F208 HydrophobicContact CB-CE2 3.98Å; A47-F208 HydrophobicContact CB-CZ 3.87Å; I51-F208 HydrophobicContact CD1-CZ 4.41Å; V97-F208 HydrophobicContact CG2-CE1 3.94Å; P146-F208 HydrophobicContact CB-CD1 4.38Å; P146-F208 HydrophobicContact CB-CE1 4.12Å; P146-F208 HydrophobicContact CG-CE1 4.48Å; V147-F208 HydrophobicContact CG2-CB 3.75Å; V147-F208 HydrophobicContact CG2-CD1 4.44Å; V147-F208 HydrophobicContact CG2-CG 4.03Å; L176-F208 HydrophobicContact CD1-CE1 4.19Å; L176-F208 HydrophobicContact CD1-CE2 3.62Å; L176-F208 HydrophobicContact CD1-CZ 3.4Å; L176-F208 VanDerWaalsContact CD1-CZ 3.4Å; F177-F208 HydrophobicContact CE2-CD2 4.04Å; F177-F208 HydrophobicContact CE2-CE2 4.2Å; P205-F208 WeakPolarHBondContact O-CB 3.25Å; P205-F208 PolarHBondContact O-N 3.32Å; N206-F208 PolarHBondContact O-N 2.99Å; F208-K211 PolarHBondContact O-N 2.69Å; F208-Y212 HydrophobicContact CE1-CD2 4.07Å; F208-Y212 HydrophobicContact CE1-CG 4.45Å; F208-Y212 HydrophobicContact CZ-CD2 4.25Å; F208-Y212 VanDerWaalsContact O-CB 3.23Å; F208-Y212 WeakPolarHBondContact O-CB 3.31Å; F208-Y212 PolarHBondContact O-N 2.99Å |
| 209 | C | 91.7 | Very high | 91 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.6 | -35.1 | -172.9 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | T94 H207 Y212 F213 M217 | T94-C209 WeakPolarHBondContact CB-SG 3.48Å; T94-C209 HydrophobicContact CG2-CB 3.87Å; T94-C209 WeakPolarHBondContact CG2-SG 3.36Å; H207-C209 VanDerWaalsContact C-N 3.35Å; H207-C209 PolarHBondContact O-N 3.32Å; C209-Y212 PolarHBondContact O-N 3.44Å; C209-F213 VanDerWaalsContact O-CD2 3.23Å; C209-F213 WeakPolarHBondContact O-CD2 3.4Å; C209-F213 PolarHBondContact O-N 2.92Å; C209-M217 HydrophobicContact CB-CE 3.25Å; C209-M217 HydrophobicContact CB-SD 3.75Å |
| 210 | E | 92.3 | Very high | 90.7 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 174.9 | -60.9 | -175.9 | 158.3 | 0 | 0 | 111 | H207 G214 T215 M217 | H207-E210 PolarHBondContact O-N 3.08Å; E210-G214 WeakPolarHBondContact O-CA 3.46Å; E210-G214 PolarHBondContact O-N 3.48Å; E210-T215 VanDerWaalsContact CA-O 3.23Å; E210-T215 WeakPolarHBondContact CA-O 3.14Å; E210-T215 PolarHBondContact O-N 3.39Å; E210-T215 VanDerWaalsContact O-N 3.14Å; E210-M217 HydrophobicContact CG-CB 4.2Å; E210-M217 HydrophobicContact CG-CG 4.18Å; E210-M217 PolarHBondContact OE1-N 2.91Å |
| 211 | K | 93.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.9 | -34.9 | 179.1 | -162.1 | 161.5 | 179.4 | 167.8 | 0 | 112.1 | D35 V36 T38 F43 H207 F208 | D35-K211 PolarHBondContact O-NZ 2.91Å; V36-K211 PolarHBondContact O-NZ 3.34Å; V36-K211 VanDerWaalsContact O-NZ 3.14Å; T38-K211 WeakPolarHBondContact O-CE 3.31Å; T38-K211 PolarHBondContact O-NZ 3.24Å; F43-K211 HydrophobicContact CB-CD 4.22Å; F43-K211 HydrophobicContact CB-CG 4.13Å; F43-K211 HydrophobicContact CD1-CB 4.09Å; F43-K211 HydrophobicContact CD1-CD 4.42Å; F43-K211 HydrophobicContact CD1-CG 3.8Å; F43-K211 HydrophobicContact CD2-CB 4.27Å; F43-K211 HydrophobicContact CD2-CD 3.43Å; F43-K211 VanDerWaalsContact CD2-CD 3.43Å; F43-K211 HydrophobicContact CD2-CG 3.75Å; F43-K211 HydrophobicContact CE1-CB 3.95Å; F43-K211 HydrophobicContact CE1-CG 4.17Å; F43-K211 HydrophobicContact CE2-CB 4.08Å; F43-K211 HydrophobicContact CE2-CD 3.85Å; F43-K211 HydrophobicContact CE2-CG 4.08Å; F43-K211 HydrophobicContact CG-CB 4.27Å; F43-K211 HydrophobicContact CG-CD 3.76Å; F43-K211 HydrophobicContact CG-CG 3.6Å; F43-K211 HydrophobicContact CZ-CB 3.95Å; F43-K211 HydrophobicContact CZ-CG 4.31Å; H207-K211 WeakPolarHBondContact O-CB 3.22Å; H207-K211 PolarHBondContact O-N 2.97Å; F208-K211 PolarHBondContact O-N 2.69Å |
| 212 | Y | 96 | Very high | 90.2 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 176.7 | -167.2 | -81.1 | 0 | 0 | 0 | 112.3 | F43 L44 A47 D48 I51 V97 F208 C209 | F43-Y212 HydrophobicContact CE1-CD2 4.3Å; L44-Y212 HydrophobicContact CD1-CD1 4.36Å; L44-Y212 HydrophobicContact CD1-CD2 3.8Å; L44-Y212 HydrophobicContact CD1-CE1 4.02Å; L44-Y212 HydrophobicContact CD1-CE2 3.4Å; L44-Y212 VanDerWaalsContact CD1-CE2 3.4Å; L44-Y212 HydrophobicContact CD1-CG 4.26Å; A47-Y212 HydrophobicContact CB-CD2 4.01Å; A47-Y212 HydrophobicContact CB-CE2 4.17Å; D48-Y212 PolarHBondContact OD1-OH 3Å; D48-Y212 VanDerWaalsContact OD1-OH 3.05Å; I51-Y212 HydrophobicContact CD1-CE2 4.1Å; V97-Y212 HydrophobicContact CB-CD1 3.73Å; V97-Y212 HydrophobicContact CB-CD2 4.17Å; V97-Y212 HydrophobicContact CB-CE1 3.54Å; V97-Y212 HydrophobicContact CB-CE2 4Å; V97-Y212 HydrophobicContact CB-CG 4.04Å; V97-Y212 HydrophobicContact CG1-CD1 3.3Å; V97-Y212 HydrophobicContact CG1-CD2 4.33Å; V97-Y212 HydrophobicContact CG1-CE1 3.6Å; V97-Y212 HydrophobicContact CG1-CG 3.71Å; V97-Y212 PolarHBondContact O-OH 3.09Å; F208-Y212 HydrophobicContact CE1-CD2 4.07Å; F208-Y212 HydrophobicContact CE1-CG 4.45Å; F208-Y212 HydrophobicContact CZ-CD2 4.25Å; F208-Y212 VanDerWaalsContact O-CB 3.23Å; F208-Y212 WeakPolarHBondContact O-CB 3.31Å; F208-Y212 PolarHBondContact O-N 2.99Å; C209-Y212 PolarHBondContact O-N 3.44Å |
| 213 | F | 93.2 | Very high | 89.9 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -85.3 | -16.1 | -179.2 | -68.8 | -61.4 | 0 | 0 | 0 | 113.6 | E96 V97 C209 T215 | E96-F213 HydrophobicContact CB-CZ 4.41Å; V97-F213 HydrophobicContact CG1-CD2 4.37Å; V97-F213 HydrophobicContact CG1-CE1 4.01Å; V97-F213 HydrophobicContact CG1-CE2 3.54Å; V97-F213 HydrophobicContact CG1-CZ 3.33Å; C209-F213 VanDerWaalsContact O-CD2 3.23Å; C209-F213 WeakPolarHBondContact O-CD2 3.4Å; C209-F213 PolarHBondContact O-N 2.92Å; F213-T215 VanDerWaalsContact C-N 3.3Å |
| 214 | G | 90.8 | Very high | 89.6 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 66% | 0.66 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 25.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E210 | E210-G214 WeakPolarHBondContact O-CA 3.46Å; E210-G214 PolarHBondContact O-N 3.48Å |
| 215 | T | 86.7 | Confident | 89.2 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -137.7 | 134.3 | -177.9 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | E210 F213 M217 | E210-T215 VanDerWaalsContact CA-O 3.23Å; E210-T215 WeakPolarHBondContact CA-O 3.14Å; E210-T215 PolarHBondContact O-N 3.39Å; E210-T215 VanDerWaalsContact O-N 3.14Å; F213-T215 VanDerWaalsContact C-N 3.3Å; T215-M217 PolarHBondContact O-N 2.77Å |
| 216 | S | 73.3 | Confident | 88.6 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 74% | 0.741 | 35% | 0.349 | S | S | * | . | trans | -59 | 134.4 | 165.9 | 53.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 217 | M | 61.9 | Low | 88.1 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | trans | -94.8 | 0 | -176.6 | -77 | -155.4 | -55.1 | 0 | 0 | 114.2 | R93 T94 C209 E210 T215 | R93-M217 PolarHBondContact NH2-OXT 3.12Å; T94-M217 HydrophobicContact CG2-CE 3.84Å; T94-M217 HydrophobicContact CG2-SD 4.04Å; C209-M217 HydrophobicContact CB-CE 3.25Å; C209-M217 HydrophobicContact CB-SD 3.75Å; E210-M217 HydrophobicContact CG-CB 4.2Å; E210-M217 HydrophobicContact CG-CG 4.18Å; E210-M217 PolarHBondContact OE1-N 2.91Å; T215-M217 PolarHBondContact O-N 2.77Å |
Retrieved 217 of 217 residues in 224.4 ms
(Link to these results)