| 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 | 34.3 | Very low | 40.8 | Very low | 138 Ų | 138 | 68.4 Ų | 68.4 | 68% | 0.68 | 36% | 0.357 | S | S | * | . | 0 | 133.5 | 0 | 170.4 | 178.8 | -107.7 | 0 | 0 | 106.7 | L31 A85 | M1-L31 HydrophobicContact CB-CD1 3.67Å; M1-L31 HydrophobicContact CB-CG 4.09Å; M1-L31 HydrophobicContact CG-CD1 3.5Å; M1-L31 VanDerWaalsContact CG-CD1 3.5Å; M1-L31 HydrophobicContact CG-CG 4.07Å; M1-L31 PolarHBondContact O-N 3.46Å; M1-L31 HydrophobicContact SD-CD1 3.22Å; M1-L31 WeakPolarHBondContact SD-CD1 3.3Å; M1-L31 HydrophobicContact SD-CG 4.35Å; M1-A85 HydrophobicContact CE-CB 4.07Å; M1-A85 HydrophobicContact SD-CB 4.15Å | |||
| 2 | F | 34.6 | Very low | 40.7 | Very low | 121 Ų | 121 | 78.1 Ų | 78.1 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143.5 | -177.1 | -59.3 | -83.3 | 0 | 0 | 0 | 109.7 | C29 P30 | F2-C29 VanDerWaalsContact CA-O 3.3Å; F2-C29 WeakPolarHBondContact CA-O 3.4Å; F2-P30 HydrophobicContact CD1-CB 4.37Å; F2-P30 HydrophobicContact CE1-CB 4.22Å |
| 3 | I | 35.6 | Very low | 40.6 | Very low | 31 Ų | 31 | 75.9 Ų | 75.9 | 16% | 0.159 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.7 | 167.1 | -60.3 | 155.7 | 0 | 0 | 0 | 106.7 | C29 L31 I83 | I3-C29 PolarHBondContact N-O 2.81Å; I3-C29 PolarHBondContact O-N 2.82Å; I3-C29 VanDerWaalsContact O-N 3.12Å; I3-L31 HydrophobicContact CD1-CD2 3.48Å; I3-L31 VanDerWaalsContact CD1-CD2 3.48Å; I3-L31 HydrophobicContact CG1-CD2 4.06Å; I3-I83 HydrophobicContact CB-CG2 4.19Å; I3-I83 HydrophobicContact CD1-CD1 4.06Å; I3-I83 HydrophobicContact CD1-CG2 3.54Å; I3-I83 HydrophobicContact CG1-CG2 3.53Å; I3-I83 HydrophobicContact CG2-CG2 3.56Å |
| 4 | N | 40.1 | Very low | 40.5 | Very low | 82 Ų | 82 | 78.7 Ų | 78.7 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.1 | 165.4 | -64.5 | -44.4 | 0 | 0 | 0 | 107.3 | L27 R28 | N4-L27 WeakPolarHBondContact CA-O 3.42Å; N4-R28 WeakPolarHBondContact OD1-CG 2.89Å |
| 5 | G | 40.1 | Very low | 40.6 | Very low | 22 Ų | 22 | 81.7 Ų | 81.7 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | L27 | G5-L27 PolarHBondContact N-O 3.33Å; G5-L27 PolarHBondContact O-N 3.12Å; G5-L27 VanDerWaalsContact O-N 3.13Å |
| 6 | F | 40.3 | Very low | 40.3 | Very low | 125 Ų | 125 | 83.7 Ų | 83.7 | 55% | 0.548 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.1 | 159.1 | -163.4 | -99.7 | 0 | 0 | 0 | 106.7 | N8 H24 | F6-N8 WeakPolarHBondContact CE1-OD1 3.17Å; F6-H24 AromaticContact CE1-CE1 3.89Å; F6-H24 AromaticContact CE1-ND1 3.14Å; F6-H24 WeakPolarHBondContact CE1-ND1 3.46Å; F6-H24 HydrophobicContact CE2-CB 4.07Å; F6-H24 HydrophobicContact CZ-CB 3.72Å; F6-H24 AromaticContact CZ-CE1 3.94Å; F6-H24 AromaticContact CZ-CG 3.63Å; F6-H24 AromaticContact CZ-ND1 3.01Å; F6-H24 WeakPolarHBondContact CZ-ND1 2.84Å |
| 7 | V | 47.1 | Very low | 40.4 | Very low | 19 Ų | 19 | 86.1 Ų | 86.1 | 12% | 0.115 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.5 | 179.2 | -170 | 0 | 0 | 0 | 0 | 107.8 | Y9 L27 L57 L78 | V7-Y9 HydrophobicContact CB-CD1 4.15Å; V7-Y9 HydrophobicContact CB-CE1 4.43Å; V7-Y9 HydrophobicContact CG1-CD1 3.71Å; V7-Y9 HydrophobicContact CG1-CE1 4.42Å; V7-L27 HydrophobicContact CB-CD1 3.84Å; V7-L27 HydrophobicContact CG2-CD1 3.3Å; V7-L57 HydrophobicContact CG1-CD1 4.39Å; V7-L78 HydrophobicContact CG1-CD2 4.09Å |
| 8 | N | 43.2 | Very low | 39.7 | Very low | 93 Ų | 93 | 90.2 Ų | 90.2 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.9 | 167.8 | -69.6 | -25.3 | 0 | 0 | 0 | 106.5 | F6 V22 H24 | F6-N8 WeakPolarHBondContact CE1-OD1 3.17Å; N8-V22 HydrophobicContact CB-CG1 3.89Å; N8-H24 PolarHBondContact OD1-CE1 3.22Å; N8-H24 PolarHBondContact OD1-ND1 3.32Å |
| 9 | Y | 48 | Very low | 39.4 | Very low | 16 Ų | 16 | 91.1 Ų | 91.1 | 6% | 0.063 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.2 | 176.9 | 42.7 | -80.3 | 0 | 0 | 0 | 109.4 | V7 V11 L23 V45 L57 C59 | V7-Y9 HydrophobicContact CB-CD1 4.15Å; V7-Y9 HydrophobicContact CB-CE1 4.43Å; V7-Y9 HydrophobicContact CG1-CD1 3.71Å; V7-Y9 HydrophobicContact CG1-CE1 4.42Å; Y9-V11 HydrophobicContact CD2-CG2 3.73Å; Y9-V11 HydrophobicContact CE2-CG2 4.1Å; Y9-V11 PolarHBondContact O-N 3.3Å; Y9-L23 HydrophobicContact CD1-CB 4.31Å; Y9-L23 HydrophobicContact CD2-CB 3.97Å; Y9-L23 HydrophobicContact CD2-CD1 4.35Å; Y9-L23 HydrophobicContact CE1-CB 3.64Å; Y9-L23 HydrophobicContact CE2-CB 3.25Å; Y9-L23 HydrophobicContact CE2-CD1 3.62Å; Y9-L23 HydrophobicContact CE2-CD2 4.03Å; Y9-L23 HydrophobicContact CE2-CG 3.78Å; Y9-L23 HydrophobicContact CG-CB 4.47Å; Y9-L23 WeakPolarHBondContact OH-CB 3.24Å; Y9-L23 WeakPolarHBondContact OH-CD2 3.43Å; Y9-V45 WeakPolarHBondContact OH-CG2 3.38Å; Y9-L57 HydrophobicContact CD1-CD1 4.22Å; Y9-L57 HydrophobicContact CE1-CD1 4.38Å; Y9-C59 WeakPolarHBondContact CE2-SG 3.5Å; Y9-C59 PolarHBondContact OH-SG 3.48Å |
| 10 | P | 42.5 | Very low | 39.2 | Very low | 87 Ų | 87 | 94 Ų | 94 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 110.4 | 171.9 | 28.8 | -30.8 | 0 | 0 | 0 | 108.4 | Q20 | P10-Q20 HydrophobicContact CB-CG 4.36Å |
| 11 | V | 43.3 | Very low | 39.1 | Very low | 18 Ų | 18 | 91.6 Ų | 91.6 | 11% | 0.109 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.5 | 169.2 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | Y9 T13 V21 L23 | Y9-V11 HydrophobicContact CD2-CG2 3.73Å; Y9-V11 HydrophobicContact CE2-CG2 4.1Å; Y9-V11 PolarHBondContact O-N 3.3Å; V11-T13 HydrophobicContact CG1-CG2 4.18Å; V11-V21 HydrophobicContact CB-CB 4.28Å; V11-V21 PolarHBondContact N-O 3.2Å; V11-L23 HydrophobicContact CG2-CD1 3.81Å |
| 12 | R | 39 | Very low | 39.4 | Very low | 185 Ų | 185 | 88.3 Ų | 88.3 | 70% | 0.698 | 47% | 0.469 | S | S | * | . | trans | -102 | 126.3 | 164 | -64.3 | -172.5 | -174.1 | -167.6 | 2.2 | 108.2 | P14 | R12-P14 WeakPolarHBondContact O-CD 3.49Š| ||
| 13 | T | 40.1 | Very low | 39.9 | Very low | 50 Ų | 50 | 83 Ų | 83 | 31% | 0.307 | 45% | 0.446 | S | S | . | . | trans | -104.1 | 109 | 176.8 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | V11 N16 | V11-T13 HydrophobicContact CG1-CG2 4.18Å; T13-N16 CarbonylContact O-C 3.35Å; T13-N16 PolarHBondContact O-N 3.19Å | ||
| 14 | P | 39 | Very low | 40.2 | Very low | 115 Ų | 115 | 86.6 Ų | 86.6 | 75% | 0.747 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 147.1 | 169.5 | -16.3 | 29.7 | 0 | 0 | 0 | 110.8 | R12 | R12-P14 WeakPolarHBondContact O-CD 3.49Š|
| 15 | P | 41.9 | Very low | 40.5 | Very low | 123 Ų | 123 | 82.9 Ų | 82.9 | 80% | 0.799 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.7 | 0.8 | 6.2 | 35.8 | -34.1 | 0 | 0 | 0 | 114.7 | ||
| 16 | N | 36.1 | Very low | 40.6 | Very low | 114 Ų | 114 | 88.7 Ų | 88.7 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | trans | -108.1 | 100.9 | -176.2 | -72.4 | -29.4 | 0 | 0 | 0 | 110 | T13 L18 | T13-N16 CarbonylContact O-C 3.35Å; T13-N16 PolarHBondContact O-N 3.19Å; N16-L18 PolarHBondContact O-N 3.44Å | ||
| 17 | D | 41.3 | Very low | 41 | Very low | 125 Ų | 125 | 83 Ų | 83 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 13.9 | 176 | -86.2 | -38.5 | 0 | 0 | 0 | 115.2 | ||
| 18 | L | 28.3 | Very low | 40.7 | Very low | 159 Ų | 159 | 90 Ų | 90 | 83% | 0.832 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -5.5 | -169.4 | -83 | 160.2 | 0 | 0 | 0 | 115 | N16 | N16-L18 PolarHBondContact O-N 3.44Š|
| 19 | L | 33.7 | Very low | 40.7 | Very low | 107 Ų | 107 | 86.2 Ų | 86.2 | 56% | 0.56 | 44% | 0.443 | S | S | * | . | trans | -110.8 | 87.4 | 178.9 | -143.1 | 85 | 0 | 0 | 0 | 110.8 | V21 | L19-V21 HydrophobicContact CD2-CG2 3.6Å; L19-V21 HydrophobicContact CG-CG2 4.06Å; L19-V21 PolarHBondContact O-N 2.75Å; L19-V21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | Q | 36.5 | Very low | 40.3 | Very low | 149 Ų | 149 | 86.1 Ų | 86.1 | 70% | 0.696 | 44% | 0.444 | S | S | * | . | trans | -71 | 101.1 | 158.7 | -91.2 | -174.8 | -14.9 | 0 | 0 | 107.9 | P10 | P10-Q20 HydrophobicContact CB-CG 4.36Š| ||
| 21 | V | 37.2 | Very low | 40.2 | Very low | 44 Ų | 44 | 86.5 Ų | 86.5 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.2 | 165.3 | -174.1 | 0 | 0 | 0 | 0 | 106.9 | V11 L19 L23 | V11-V21 HydrophobicContact CB-CB 4.28Å; V11-V21 PolarHBondContact N-O 3.2Å; L19-V21 HydrophobicContact CD2-CG2 3.6Å; L19-V21 HydrophobicContact CG-CG2 4.06Å; L19-V21 PolarHBondContact O-N 2.75Å; L19-V21 VanDerWaalsContact O-N 3.16Å; V21-L23 HydrophobicContact CB-CD1 4.37Å; V21-L23 HydrophobicContact CG1-CD1 3.68Å; V21-L23 HydrophobicContact CG1-CG 4.31Å; V21-L23 PolarHBondContact O-N 2.53Å |
| 22 | V | 39.5 | Very low | 40.2 | Very low | 69 Ų | 69 | 91.5 Ų | 91.5 | 42% | 0.418 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 101.1 | 163.9 | -176.3 | 0 | 0 | 0 | 0 | 106.2 | N8 H24 | N8-V22 HydrophobicContact CB-CG1 3.89Å; V22-H24 VanDerWaalsContact CG1-CE1 3.45Å; V22-H24 WeakPolarHBondContact CG1-CE1 3.13Å |
| 23 | L | 45.2 | Very low | 40.3 | Very low | 10 Ų | 10 | 83.7 Ų | 83.7 | 5% | 0.052 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.2 | 168.7 | -94.8 | 103.4 | 0 | 0 | 0 | 108.7 | Y9 V11 V21 H43 V45 | Y9-L23 HydrophobicContact CD1-CB 4.31Å; Y9-L23 HydrophobicContact CD2-CB 3.97Å; Y9-L23 HydrophobicContact CD2-CD1 4.35Å; Y9-L23 HydrophobicContact CE1-CB 3.64Å; Y9-L23 HydrophobicContact CE2-CB 3.25Å; Y9-L23 HydrophobicContact CE2-CD1 3.62Å; Y9-L23 HydrophobicContact CE2-CD2 4.03Å; Y9-L23 HydrophobicContact CE2-CG 3.78Å; Y9-L23 HydrophobicContact CG-CB 4.47Å; Y9-L23 WeakPolarHBondContact OH-CB 3.24Å; Y9-L23 WeakPolarHBondContact OH-CD2 3.43Å; V11-L23 HydrophobicContact CG2-CD1 3.81Å; V21-L23 HydrophobicContact CB-CD1 4.37Å; V21-L23 HydrophobicContact CG1-CD1 3.68Å; V21-L23 HydrophobicContact CG1-CG 4.31Å; V21-L23 PolarHBondContact O-N 2.53Å; L23-H43 HydrophobicContact CD2-CB 3.87Å; L23-V45 HydrophobicContact CD2-CG2 4.43Å |
| 24 | H | 42.1 | Very low | 40.4 | Very low | 106 Ų | 106 | 83.7 Ų | 83.7 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115 | 171 | -64.1 | -70.8 | 0 | 0 | 0 | 108 | F6 N8 V22 | F6-H24 AromaticContact CE1-CE1 3.89Å; F6-H24 AromaticContact CE1-ND1 3.14Å; F6-H24 WeakPolarHBondContact CE1-ND1 3.46Å; F6-H24 HydrophobicContact CE2-CB 4.07Å; F6-H24 HydrophobicContact CZ-CB 3.72Å; F6-H24 AromaticContact CZ-CE1 3.94Å; F6-H24 AromaticContact CZ-CG 3.63Å; F6-H24 AromaticContact CZ-ND1 3.01Å; F6-H24 WeakPolarHBondContact CZ-ND1 2.84Å; N8-H24 PolarHBondContact OD1-CE1 3.22Å; N8-H24 PolarHBondContact OD1-ND1 3.32Å; V22-H24 VanDerWaalsContact CG1-CE1 3.45Å; V22-H24 WeakPolarHBondContact CG1-CE1 3.13Å |
| 25 | G | 46.6 | Very low | 40.6 | Very low | 5 Ų | 5 | 84.8 Ų | 84.8 | 5% | 0.052 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 146.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 26 | F | 42.1 | Very low | 40.9 | Very low | 143 Ų | 143 | 79 Ų | 79 | 63% | 0.627 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 112.8 | 164.4 | -80.5 | -84.1 | 0 | 0 | 0 | 108.4 | S38 | F26-S38 WeakPolarHBondContact O-CB 3.26Å; F26-S38 PolarHBondContact O-OG 3.2Å |
| 27 | L | 47.6 | Very low | 41.4 | Very low | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.5 | 172.3 | -83.3 | 140.3 | 0 | 0 | 0 | 109.5 | N4 G5 V7 V36 L57 | N4-L27 WeakPolarHBondContact CA-O 3.42Å; G5-L27 PolarHBondContact N-O 3.33Å; G5-L27 PolarHBondContact O-N 3.12Å; G5-L27 VanDerWaalsContact O-N 3.13Å; V7-L27 HydrophobicContact CB-CD1 3.84Å; V7-L27 HydrophobicContact CG2-CD1 3.3Å; L27-V36 HydrophobicContact CD2-CG1 3.84Å; L27-L57 HydrophobicContact CD1-CD2 3.74Å; L27-L57 HydrophobicContact CD2-CD2 3.51Å; L27-L57 HydrophobicContact CG-CD2 4.23Å |
| 28 | R | 41.6 | Very low | 41.7 | Very low | 167 Ų | 167 | 72.1 Ų | 72.1 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 87 | 171.6 | -86.8 | -170.8 | 168 | 168.4 | 0.9 | 109.8 | N4 V36 | N4-R28 WeakPolarHBondContact OD1-CG 2.89Å; R28-V36 VanDerWaalsContact O-CG1 3.23Å; R28-V36 WeakPolarHBondContact O-CG1 3.26Å |
| 29 | C | 43.4 | Very low | 42.3 | Very low | 13 Ų | 13 | 71.4 Ų | 71.4 | 9% | 0.088 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.6 | -178 | -55.3 | 0 | 0 | 0 | 0 | 111 | F2 I3 V36 V49 | F2-C29 VanDerWaalsContact CA-O 3.3Å; F2-C29 WeakPolarHBondContact CA-O 3.4Å; I3-C29 PolarHBondContact N-O 2.81Å; I3-C29 PolarHBondContact O-N 2.82Å; I3-C29 VanDerWaalsContact O-N 3.12Å; C29-V36 HydrophobicContact CB-CG2 4Å; C29-V49 HydrophobicContact CB-CG2 3.78Å; C29-V49 VanDerWaalsContact SG-CG2 3.58Å |
| 30 | P | 39.3 | Very low | 42.9 | Very low | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137.9 | 169.7 | 35.3 | -31.7 | 0 | 0 | 0 | 109.3 | F2 D32 G33 S34 V36 | F2-P30 HydrophobicContact CD1-CB 4.37Å; F2-P30 HydrophobicContact CE1-CB 4.22Å; P30-D32 VanDerWaalsContact CB-OD1 3.25Å; P30-D32 WeakPolarHBondContact CB-OD1 3.25Å; P30-D32 WeakPolarHBondContact CG-OD1 3.48Å; P30-D32 PolarHBondContact O-N 3.27Å; P30-G33 PolarHBondContact O-N 2.94Å; P30-S34 WeakPolarHBondContact CB-OG 3.47Å; P30-S34 VanDerWaalsContact CG-O 3.3Å; P30-S34 WeakPolarHBondContact CG-O 3.22Å; P30-S34 WeakPolarHBondContact CG-OG 3.06Å; P30-V36 VanDerWaalsContact CD-CG2 3.45Å |
| 31 | L | 41.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 67.9 Ų | 67.9 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9.6 | -175.7 | -78.4 | -169.2 | 0 | 0 | 0 | 115.1 | M1 I3 G33 | M1-L31 HydrophobicContact CB-CD1 3.67Å; M1-L31 HydrophobicContact CB-CG 4.09Å; M1-L31 HydrophobicContact CG-CD1 3.5Å; M1-L31 VanDerWaalsContact CG-CD1 3.5Å; M1-L31 HydrophobicContact CG-CG 4.07Å; M1-L31 PolarHBondContact O-N 3.46Å; M1-L31 HydrophobicContact SD-CD1 3.22Å; M1-L31 WeakPolarHBondContact SD-CD1 3.3Å; M1-L31 HydrophobicContact SD-CG 4.35Å; I3-L31 HydrophobicContact CD1-CD2 3.48Å; I3-L31 VanDerWaalsContact CD1-CD2 3.48Å; I3-L31 HydrophobicContact CG1-CD2 4.06Å; L31-G33 VanDerWaalsContact C-N 3.26Å |
| 32 | D | 43.1 | Very low | 43 | Very low | 122 Ų | 122 | 67.5 Ų | 67.5 | 65% | 0.652 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.5 | 179.8 | 55.9 | 9.6 | 0 | 0 | 0 | 113 | P30 S34 | P30-D32 VanDerWaalsContact CB-OD1 3.25Å; P30-D32 WeakPolarHBondContact CB-OD1 3.25Å; P30-D32 WeakPolarHBondContact CG-OD1 3.48Å; P30-D32 PolarHBondContact O-N 3.27Å; D32-S34 VanDerWaalsContact CG-OG 3.31Å; D32-S34 PolarHBondContact O-N 3.09Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.25Å; D32-S34 PolarHBondContact OD1-N 3.42Å; D32-S34 PolarHBondContact OD1-OG 2.58Å; D32-S34 PolarHBondContact OD2-OG 2.96Å |
| 33 | G | 40.1 | Very low | 43.3 | Very low | 21 Ų | 21 | 65.5 Ų | 65.5 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | trans | 72.3 | 16.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P30 L31 V49 | P30-G33 PolarHBondContact O-N 2.94Å; L31-G33 VanDerWaalsContact C-N 3.26Å; G33-V49 WeakPolarHBondContact CA-O 3.37Å | ||
| 34 | S | 42.9 | Very low | 43.1 | Very low | 51 Ų | 51 | 67.4 Ų | 67.4 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | trans | -71.2 | 160.2 | 171 | 61.7 | 0 | 0 | 0 | 0 | 112 | P30 D32 V36 | P30-S34 WeakPolarHBondContact CB-OG 3.47Å; P30-S34 VanDerWaalsContact CG-O 3.3Å; P30-S34 WeakPolarHBondContact CG-O 3.22Å; P30-S34 WeakPolarHBondContact CG-OG 3.06Å; D32-S34 VanDerWaalsContact CG-OG 3.31Å; D32-S34 PolarHBondContact O-N 3.09Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.25Å; D32-S34 PolarHBondContact OD1-N 3.42Å; D32-S34 PolarHBondContact OD1-OG 2.58Å; D32-S34 PolarHBondContact OD2-OG 2.96Å; S34-V36 PolarHBondContact O-N 3.4Å | ||
| 35 | Q | 43.2 | Very low | 43.4 | Very low | 137 Ų | 137 | 62.4 Ų | 62.4 | 64% | 0.64 | 33% | 0.33 | S | S | * | . | trans | -55.4 | 136.7 | -175 | -172.6 | 174.4 | 6.8 | 0 | 0 | 111.8 | ||||
| 36 | V | 47.4 | Very low | 43.2 | Very low | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.5 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | L27 R28 C29 P30 S34 H46 G47 V49 | L27-V36 HydrophobicContact CD2-CG1 3.84Å; R28-V36 VanDerWaalsContact O-CG1 3.23Å; R28-V36 WeakPolarHBondContact O-CG1 3.26Å; C29-V36 HydrophobicContact CB-CG2 4Å; P30-V36 VanDerWaalsContact CD-CG2 3.45Å; S34-V36 PolarHBondContact O-N 3.4Å; V36-H46 CarbonylContact O-C 3.51Å; V36-H46 WeakPolarHBondContact O-CA 3.45Å; V36-G47 PolarHBondContact N-O 2.99Å; V36-G47 PolarHBondContact O-N 3.5Å; V36-V49 HydrophobicContact CG2-CG2 3.83Å |
| 37 | D | 46.2 | Very low | 43.4 | Very low | 93 Ų | 93 | 57.9 Ų | 57.9 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.6 | 164 | -66.7 | -21.2 | 0 | 0 | 0 | 108.5 | H46 | D37-H46 IonicContact OD1-CE1 3.33Å; D37-H46 PolarHBondContact OD1-CE1 2.82Å; D37-H46 IonicContact OD1-CG 3.73Å; D37-H46 IonicContact OD1-ND1 2.69Å; D37-H46 PolarHBondContact OD1-ND1 2.82Å |
| 38 | S | 47.6 | Very low | 43 | Very low | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.6 | 168.6 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | F26 V45 | F26-S38 WeakPolarHBondContact O-CB 3.26Å; F26-S38 PolarHBondContact O-OG 3.2Å; S38-V45 PolarHBondContact N-O 2.73Å; S38-V45 PolarHBondContact O-N 2.65Å |
| 39 | I | 42 | Very low | 43 | Very low | 144 Ų | 144 | 55.2 Ų | 55.2 | 74% | 0.738 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 102 | 173.6 | -57.3 | 172.5 | 0 | 0 | 0 | 106.2 | ||
| 40 | G | 45.2 | Very low | 42.9 | Very low | 11 Ų | 11 | 59 Ų | 59 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 163.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G42 H43 | G40-G42 PolarHBondContact O-N 3.18Å; G40-H43 PolarHBondContact N-O 2.8Å; G40-H43 PolarHBondContact O-N 3.44Å |
| 41 | I | 37 | Very low | 42.8 | Very low | 172 Ų | 172 | 63.7 Ų | 63.7 | 88% | 0.882 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 105.4 | 171.3 | -59.3 | 174.2 | 0 | 0 | 0 | 107.5 | ||
| 42 | G | 39.3 | Very low | 42.6 | Very low | 36 Ų | 36 | 63.3 Ų | 63.3 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 1.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G40 S62 F63 | G40-G42 PolarHBondContact O-N 3.18Å; G42-S62 PolarHBondContact O-OG 2.87Å; G42-F63 WeakPolarHBondContact O-CE2 3.01Å |
| 43 | H | 45.3 | Very low | 42.2 | Very low | 26 Ų | 26 | 64.3 Ų | 64.3 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 136.7 | -174.6 | -63.1 | -64.3 | 0 | 0 | 0 | 112.5 | L23 G40 L61 F63 | L23-H43 HydrophobicContact CD2-CB 3.87Å; G40-H43 PolarHBondContact N-O 2.8Å; G40-H43 PolarHBondContact O-N 3.44Å; H43-L61 WeakPolarHBondContact CE1-CD2 3.14Å; H43-F63 AromaticContact CD2-CE2 3.76Å; H43-F63 AromaticContact CE1-CD2 3.25Å; H43-F63 WeakPolarHBondContact CE1-CD2 3.39Å; H43-F63 AromaticContact CE1-CE2 3.05Å; H43-F63 WeakPolarHBondContact CE1-CE2 3.23Å; H43-F63 AromaticContact ND1-CD2 3.8Å; H43-F63 AromaticContact ND1-CE2 3.6Å; H43-F63 AromaticContact NE2-CD2 3.84Å; H43-F63 AromaticContact NE2-CE2 3.17Å; H43-F63 WeakPolarHBondContact NE2-CE2 3.3Å |
| 44 | T | 42.1 | Very low | 42.1 | Very low | 50 Ų | 50 | 68.4 Ų | 68.4 | 31% | 0.307 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.1 | 166.6 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | H46 V60 | T44-H46 WeakPolarHBondContact CG2-NE2 3.14Å; T44-V60 PolarHBondContact O-N 2.69Å |
| 45 | V | 47.4 | Very low | 42.2 | Very low | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.2 | 176.6 | -170 | 0 | 0 | 0 | 0 | 108.2 | Y9 L23 S38 L57 M58 C59 | Y9-V45 WeakPolarHBondContact OH-CG2 3.38Å; L23-V45 HydrophobicContact CD2-CG2 4.43Å; S38-V45 PolarHBondContact N-O 2.73Å; S38-V45 PolarHBondContact O-N 2.65Å; V45-L57 HydrophobicContact CG1-CB 3.83Å; V45-L57 HydrophobicContact CG1-CD2 3.52Å; V45-L57 HydrophobicContact CG1-CG 4.28Å; V45-M58 CarbonylContact C-O 3.48Å; V45-M58 VanDerWaalsContact CA-O 3.26Å; V45-M58 WeakPolarHBondContact CA-O 3.37Å; V45-C59 HydrophobicContact CG2-CB 4.42Å |
| 46 | H | 43.9 | Very low | 42 | Very low | 49 Ų | 49 | 62.7 Ų | 62.7 | 23% | 0.227 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.2 | 173.7 | -63.1 | -84.7 | 0 | 0 | 0 | 108.8 | V36 D37 T44 M58 | V36-H46 CarbonylContact O-C 3.51Å; V36-H46 WeakPolarHBondContact O-CA 3.45Å; D37-H46 IonicContact OD1-CE1 3.33Å; D37-H46 PolarHBondContact OD1-CE1 2.82Å; D37-H46 IonicContact OD1-CG 3.73Å; D37-H46 IonicContact OD1-ND1 2.69Å; D37-H46 PolarHBondContact OD1-ND1 2.82Å; T44-H46 WeakPolarHBondContact CG2-NE2 3.14Å; H46-M58 HydrophobicContact CB-CB 4.17Å; H46-M58 HydrophobicContact CB-CE 4.08Å; H46-M58 PolarHBondContact N-O 3.01Å; H46-M58 VanDerWaalsContact O-CA 3.26Å; H46-M58 WeakPolarHBondContact O-CA 3.44Å; H46-M58 WeakPolarHBondContact O-CB 3.37Å; H46-M58 PolarHBondContact O-N 3.21Å |
| 47 | G | 45.7 | Very low | 41.9 | Very low | 5 Ų | 5 | 62.8 Ų | 62.8 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 160.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V36 V56 | V36-G47 PolarHBondContact N-O 2.99Å; V36-G47 PolarHBondContact O-N 3.5Å; G47-V56 CarbonylContact C-O 3.55Å; G47-V56 WeakPolarHBondContact CA-O 3.35Å |
| 48 | I | 40.1 | Very low | 41.7 | Very low | 88 Ų | 88 | 60.4 Ų | 60.4 | 45% | 0.451 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.7 | 171.3 | -58.6 | 174.7 | 0 | 0 | 0 | 106.9 | L50 V56 | I48-L50 HydrophobicContact CG2-CD2 4.11Å; I48-L50 HydrophobicContact CG2-CG 4.47Å; I48-V56 PolarHBondContact N-O 3.07Å; I48-V56 PolarHBondContact O-N 3.16Å; I48-V56 VanDerWaalsContact O-N 3.09Å |
| 49 | V | 41.7 | Very low | 41.4 | Very low | 28 Ų | 28 | 61.1 Ų | 61.1 | 17% | 0.17 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.8 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 108 | C29 G33 V36 V55 | C29-V49 HydrophobicContact CB-CG2 3.78Å; C29-V49 VanDerWaalsContact SG-CG2 3.58Å; G33-V49 WeakPolarHBondContact CA-O 3.37Å; V36-V49 HydrophobicContact CG2-CG2 3.83Å; V49-V55 HydrophobicContact CG1-CG2 4.25Å; V49-V55 HydrophobicContact CG2-CG1 4.14Å; V49-V55 HydrophobicContact CG2-CG2 3.97Å |
| 50 | L | 39.5 | Very low | 41.1 | Very low | 94 Ų | 94 | 56.2 Ų | 56.2 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.5 | 175.2 | -61.8 | 173.6 | 0 | 0 | 0 | 110.5 | I48 G52 K53 | I48-L50 HydrophobicContact CG2-CD2 4.11Å; I48-L50 HydrophobicContact CG2-CG 4.47Å; L50-G52 PolarHBondContact O-N 3.12Å; L50-K53 CarbonylContact C-O 3.4Å; L50-K53 WeakPolarHBondContact CA-O 3.06Å; L50-K53 HydrophobicContact CB-CB 4.07Å; L50-K53 WeakPolarHBondContact CB-O 3.14Å; L50-K53 PolarHBondContact N-O 3.27Å; L50-K53 PolarHBondContact O-N 2.99Å |
| 51 | P | 39 | Very low | 40.6 | Very low | 111 Ų | 111 | 60.5 Ų | 60.5 | 72% | 0.721 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 122.7 | 172.8 | -21.5 | 31.8 | 0 | 0 | 0 | 110.7 | K53 | P51-K53 PolarHBondContact O-N 2.77Š|
| 52 | G | 36.9 | Very low | 40.3 | Very low | 88 Ų | 88 | 55.3 Ų | 55.3 | 91% | 0.907 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 7.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L50 | L50-G52 PolarHBondContact O-N 3.12Š|
| 53 | K | 34.2 | Very low | 39.8 | Very low | 143 Ų | 143 | 59.4 Ų | 59.4 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 137.3 | -174.4 | -82.4 | -164.8 | -177.6 | -178.5 | 0 | 111.6 | L50 P51 | L50-K53 CarbonylContact C-O 3.4Å; L50-K53 WeakPolarHBondContact CA-O 3.06Å; L50-K53 HydrophobicContact CB-CB 4.07Å; L50-K53 WeakPolarHBondContact CB-O 3.14Å; L50-K53 PolarHBondContact N-O 3.27Å; L50-K53 PolarHBondContact O-N 2.99Å; P51-K53 PolarHBondContact O-N 2.77Å |
| 54 | W | 38.7 | Very low | 39 | Very low | 107 Ų | 107 | 66.5 Ų | 66.5 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 28.1 | 124.7 | 159.2 | -48.1 | 88.9 | 0 | 0 | 0 | 119.3 | E75 D77 | W54-E75 HydrophobicContact CE3-CB 4.18Å; W54-E75 HydrophobicContact CZ3-CB 4.17Å; W54-D77 WeakPolarHBondContact CH2-OD1 3.17Å; W54-D77 HydrophobicContact CZ3-CB 4.41Å; W54-D77 WeakPolarHBondContact CZ3-OD1 3.05Å |
| 55 | V | 43.2 | Very low | 38.3 | Very low | 20 Ų | 20 | 72 Ų | 72 | 12% | 0.121 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 110.2 | 157.8 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | V49 L57 L78 | V49-V55 HydrophobicContact CG1-CG2 4.25Å; V49-V55 HydrophobicContact CG2-CG1 4.14Å; V49-V55 HydrophobicContact CG2-CG2 3.97Å; V55-L57 HydrophobicContact CG1-CD1 4.4Å; V55-L57 HydrophobicContact CG1-CD2 3.95Å; V55-L57 HydrophobicContact CG1-CG 3.83Å; V55-L57 PolarHBondContact O-N 3.44Å; V55-L78 HydrophobicContact CB-CD1 4.03Å; V55-L78 HydrophobicContact CG2-CD1 3.46Å; V55-L78 VanDerWaalsContact CG2-CD1 3.46Å |
| 56 | V | 40.9 | Very low | 37.4 | Very low | 48 Ų | 48 | 77.6 Ų | 77.6 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 118.3 | 168.9 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | G47 I48 | G47-V56 CarbonylContact C-O 3.55Å; G47-V56 WeakPolarHBondContact CA-O 3.35Å; I48-V56 PolarHBondContact N-O 3.07Å; I48-V56 PolarHBondContact O-N 3.16Å; I48-V56 VanDerWaalsContact O-N 3.09Å |
| 57 | L | 44.8 | Very low | 37 | Very low | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 105 | 177.4 | -70.2 | 158.2 | 0 | 0 | 0 | 108.9 | V7 Y9 L27 V45 V55 C59 | V7-L57 HydrophobicContact CG1-CD1 4.39Å; Y9-L57 HydrophobicContact CD1-CD1 4.22Å; Y9-L57 HydrophobicContact CE1-CD1 4.38Å; L27-L57 HydrophobicContact CD1-CD2 3.74Å; L27-L57 HydrophobicContact CD2-CD2 3.51Å; L27-L57 HydrophobicContact CG-CD2 4.23Å; V45-L57 HydrophobicContact CG1-CB 3.83Å; V45-L57 HydrophobicContact CG1-CD2 3.52Å; V45-L57 HydrophobicContact CG1-CG 4.28Å; V55-L57 HydrophobicContact CG1-CD1 4.4Å; V55-L57 HydrophobicContact CG1-CD2 3.95Å; V55-L57 HydrophobicContact CG1-CG 3.83Å; V55-L57 PolarHBondContact O-N 3.44Å; L57-C59 PolarHBondContact O-N 2.79Å |
| 58 | M | 41.2 | Very low | 36.2 | Very low | 43 Ų | 43 | 83.8 Ų | 83.8 | 21% | 0.212 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 94.8 | 169.2 | -169.3 | 179 | 103.1 | 0 | 0 | 108.7 | V45 H46 V60 Y71 | V45-M58 CarbonylContact C-O 3.48Å; V45-M58 VanDerWaalsContact CA-O 3.26Å; V45-M58 WeakPolarHBondContact CA-O 3.37Å; H46-M58 HydrophobicContact CB-CB 4.17Å; H46-M58 HydrophobicContact CB-CE 4.08Å; H46-M58 PolarHBondContact N-O 3.01Å; H46-M58 VanDerWaalsContact O-CA 3.26Å; H46-M58 WeakPolarHBondContact O-CA 3.44Å; H46-M58 WeakPolarHBondContact O-CB 3.37Å; H46-M58 PolarHBondContact O-N 3.21Å; M58-V60 HydrophobicContact CE-CG2 4.01Å; M58-Y71 HydrophobicContact CE-CD1 4Å; M58-Y71 HydrophobicContact CE-CE1 4.02Å; M58-Y71 HydrophobicContact SD-CD1 3.92Å; M58-Y71 HydrophobicContact SD-CE1 4.43Å |
| 59 | C | 42.2 | Very low | 35.8 | Very low | 16 Ų | 16 | 89.3 Ų | 89.3 | 11% | 0.108 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 118 | 173.8 | -65.3 | 0 | 0 | 0 | 0 | 110 | Y9 V45 L57 | Y9-C59 WeakPolarHBondContact CE2-SG 3.5Å; Y9-C59 PolarHBondContact OH-SG 3.48Å; V45-C59 HydrophobicContact CG2-CB 4.42Å; L57-C59 PolarHBondContact O-N 2.79Å |
| 60 | V | 35.4 | Very low | 35.3 | Very low | 40 Ų | 40 | 98.5 Ų | 98.5 | 24% | 0.242 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106.1 | 165.8 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | T44 M58 S62 | T44-V60 PolarHBondContact O-N 2.69Å; M58-V60 HydrophobicContact CE-CG2 4.01Å; V60-S62 PolarHBondContact O-N 2.96Å |
| 61 | L | 33.9 | Very low | 35 | Very low | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 94.4 | 171.3 | -64.8 | 168.5 | 0 | 0 | 0 | 108.3 | H43 | H43-L61 WeakPolarHBondContact CE1-CD2 3.14Å |
| 62 | S | 30.5 | Very low | 34.8 | Very low | 63 Ų | 63 | 98.3 Ų | 98.3 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | trans | -101.4 | 68.6 | 173.3 | 59 | 0 | 0 | 0 | 0 | 110.3 | G42 V60 | G42-S62 PolarHBondContact O-OG 2.87Å; V60-S62 PolarHBondContact O-N 2.96Å | ||
| 63 | F | 28.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 101.4 Ų | 101.4 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -105.8 | 113.2 | 165 | -82.5 | -103.1 | 0 | 0 | 0 | 107.9 | G42 H43 E65 | G42-F63 WeakPolarHBondContact O-CE2 3.01Å; H43-F63 AromaticContact CD2-CE2 3.76Å; H43-F63 AromaticContact CE1-CD2 3.25Å; H43-F63 WeakPolarHBondContact CE1-CD2 3.39Å; H43-F63 AromaticContact CE1-CE2 3.05Å; H43-F63 WeakPolarHBondContact CE1-CE2 3.23Å; H43-F63 AromaticContact ND1-CD2 3.8Å; H43-F63 AromaticContact ND1-CE2 3.6Å; H43-F63 AromaticContact NE2-CD2 3.84Å; H43-F63 AromaticContact NE2-CE2 3.17Å; H43-F63 WeakPolarHBondContact NE2-CE2 3.3Å; F63-E65 PolarHBondContact O-N 2.87Å |
| 64 | L | 30.1 | Very low | 34.7 | Very low | 174 Ų | 174 | 96.4 Ų | 96.4 | 91% | 0.911 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 73.8 | -5.2 | 155.3 | -67.1 | 158 | 0 | 0 | 0 | 121.2 | ||
| 65 | E | 26.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 98.8 Ų | 98.8 | 78% | 0.78 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -150.6 | 148 | 171.1 | -102.7 | 165.7 | 178.3 | 0 | 0 | 111 | F63 | F63-E65 PolarHBondContact O-N 2.87Š|
| 66 | P | 28.6 | Very low | 34.1 | Very low | 117 Ų | 117 | 99 Ų | 99 | 76% | 0.76 | 50% | 0.5 | S | S | * | . | trans | -57.5 | 133.8 | 177.7 | 24.8 | -32 | 0 | 0 | 0 | 109.2 | S68 | P66-S68 PolarHBondContact O-N 2.66Š| ||
| 67 | P | 35.8 | Very low | 33.8 | Very low | 83 Ų | 83 | 102.9 Ų | 102.9 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | trans | -67.3 | 108.9 | -164.1 | 26.1 | -32.7 | 0 | 0 | 0 | 109.6 | R69 | P67-R69 VanDerWaalsContact C-N 3.33Å; P67-R69 PolarHBondContact O-N 3.13Å | ||
| 68 | S | 29.1 | Very low | 33.3 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | trans | -52.4 | 110 | 147 | 49.6 | 0 | 0 | 0 | 0 | 105.2 | P66 R70 | P66-S68 PolarHBondContact O-N 2.66Å; S68-R70 VanDerWaalsContact C-N 3.27Å; S68-R70 PolarHBondContact O-N 3.2Å | ||
| 69 | R | 30.7 | Very low | 32.8 | Very low | 204 Ų | 204 | 109.3 Ų | 109.3 | 77% | 0.77 | 56% | 0.559 | S | S | * | * | trans | -62.9 | 81.7 | -162.8 | -64.4 | -178.9 | -177.4 | -174.6 | -0.2 | 111.4 | P67 Y71 | P67-R69 VanDerWaalsContact C-N 3.33Å; P67-R69 PolarHBondContact O-N 3.13Å; R69-Y71 HydrophobicContact CB-CE2 3.86Å | ||
| 70 | R | 30.9 | Very low | 32.2 | Very low | 221 Ų | 221 | 120.3 Ų | 120.3 | 83% | 0.834 | 60% | 0.6 | S | S | * | * | trans | -105 | 96 | 168.9 | -71.9 | -170 | 179.1 | -174.4 | 1.7 | 107.6 | S68 | S68-R70 VanDerWaalsContact C-N 3.27Å; S68-R70 PolarHBondContact O-N 3.2Å | ||
| 71 | Y | 34.6 | Very low | 31.9 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 49% | 0.494 | 62% | 0.619 | S | S | . | * | trans | -77 | 125 | 167.2 | -56.5 | -83.6 | 0 | 0 | 0 | 107.4 | M58 R69 | M58-Y71 HydrophobicContact CE-CD1 4Å; M58-Y71 HydrophobicContact CE-CE1 4.02Å; M58-Y71 HydrophobicContact SD-CD1 3.92Å; M58-Y71 HydrophobicContact SD-CE1 4.43Å; R69-Y71 HydrophobicContact CB-CE2 3.86Å | ||
| 72 | T | 34.6 | Very low | 31.6 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 47% | 0.466 | 63% | 0.633 | S | S | . | * | trans | -110.2 | 117.6 | 167.5 | -48.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 73 | F | 33.9 | Very low | 31.6 | Very low | 152 Ų | 152 | 130 Ų | 130 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 121.7 | 173 | -66.2 | -87.3 | 0 | 0 | 0 | 107.6 | ||
| 74 | C | 34.6 | Very low | 31.6 | Very low | 38 Ų | 38 | 129.3 Ų | 129.3 | 26% | 0.257 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 117.8 | 172.4 | -64.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 75 | E | 32.4 | Very low | 31.4 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 74% | 0.738 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85 | 126.7 | 163.5 | -68.7 | -177.2 | 169.8 | 0 | 0 | 107.8 | W54 | W54-E75 HydrophobicContact CE3-CB 4.18Å; W54-E75 HydrophobicContact CZ3-CB 4.17Å |
| 76 | A | 35.9 | Very low | 31.5 | Very low | 23 Ų | 23 | 125.7 Ų | 125.7 | 19% | 0.19 | 63% | 0.625 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L78 | A76-L78 PolarHBondContact O-N 3.33Å; A76-L78 VanDerWaalsContact O-N 3.12Å |
| 77 | D | 35.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | trans | -67.9 | 102.5 | 160.8 | -94.4 | -39.5 | 0 | 0 | 0 | 107.7 | W54 P79 | W54-D77 WeakPolarHBondContact CH2-OD1 3.17Å; W54-D77 HydrophobicContact CZ3-CB 4.41Å; W54-D77 WeakPolarHBondContact CZ3-OD1 3.05Å; D77-P79 VanDerWaalsContact O-CD 3.24Å; D77-P79 WeakPolarHBondContact O-CD 3.48Å | ||
| 78 | L | 33.4 | Very low | 31.2 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | trans | -75.4 | 111.5 | 166.8 | -71.5 | 170.9 | 0 | 0 | 0 | 106.6 | V7 V55 A76 Y80 | V7-L78 HydrophobicContact CG1-CD2 4.09Å; V55-L78 HydrophobicContact CB-CD1 4.03Å; V55-L78 HydrophobicContact CG2-CD1 3.46Å; V55-L78 VanDerWaalsContact CG2-CD1 3.46Å; A76-L78 PolarHBondContact O-N 3.33Å; A76-L78 VanDerWaalsContact O-N 3.12Å; L78-Y80 PolarHBondContact O-N 2.82Å | ||
| 79 | P | 31.1 | Very low | 31 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 62% | 0.617 | 63% | 0.632 | S | S | * | * | trans | -55 | 139.8 | 171 | 25 | -31.9 | 0 | 0 | 0 | 106.7 | D77 T81 | D77-P79 VanDerWaalsContact O-CD 3.24Å; D77-P79 WeakPolarHBondContact O-CD 3.48Å; P79-T81 WeakPolarHBondContact O-CA 3.25Å; P79-T81 WeakPolarHBondContact O-CB 3.17Å; P79-T81 PolarHBondContact O-N 2.69Å; P79-T81 PolarHBondContact O-OG1 2.93Å | ||
| 80 | Y | 29 | Very low | 30.9 | Very low | 247 Ų | 247 | 133.1 Ų | 133.1 | 97% | 0.969 | 64% | 0.637 | S | S | * | * | trans | -44.9 | 66.3 | 179.4 | -110.2 | -94.7 | 0 | 0 | 0 | 112.7 | L78 K82 | L78-Y80 PolarHBondContact O-N 2.82Å; Y80-K82 PolarHBondContact O-N 2.82Å | ||
| 81 | T | 29.9 | Very low | 31 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | trans | -90 | 103.7 | -175.9 | -51.3 | 0 | 0 | 0 | 0 | 102.1 | P79 I83 | P79-T81 WeakPolarHBondContact O-CA 3.25Å; P79-T81 WeakPolarHBondContact O-CB 3.17Å; P79-T81 PolarHBondContact O-N 2.69Å; P79-T81 PolarHBondContact O-OG1 2.93Å; T81-I83 PolarHBondContact O-N 3.11Å | ||
| 82 | K | 27.5 | Very low | 30.8 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | trans | -32.1 | 103.5 | 176.6 | -134.7 | 177.8 | -172.9 | 176.6 | 0 | 108.8 | Y80 T84 | Y80-K82 PolarHBondContact O-N 2.82Å; K82-T84 PolarHBondContact O-N 3.46Å | ||
| 83 | I | 30 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 57% | 0.574 | 67% | 0.668 | S | S | * | * | trans | -71 | 91.5 | 174.9 | -64 | 170.2 | 0 | 0 | 0 | 105 | I3 T81 A85 | I3-I83 HydrophobicContact CB-CG2 4.19Å; I3-I83 HydrophobicContact CD1-CD1 4.06Å; I3-I83 HydrophobicContact CD1-CG2 3.54Å; I3-I83 HydrophobicContact CG1-CG2 3.53Å; I3-I83 HydrophobicContact CG2-CG2 3.56Å; T81-I83 PolarHBondContact O-N 3.11Å; I83-A85 VanDerWaalsContact C-N 3.25Å; I83-A85 PolarHBondContact O-N 3.04Å | ||
| 84 | T | 27.9 | Very low | 30.5 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | trans | -70.7 | 92.7 | 168 | 16.7 | 0 | 0 | 0 | 0 | 106.2 | K82 R86 | K82-T84 PolarHBondContact O-N 3.46Å; T84-R86 PolarHBondContact O-N 2.85Å | ||
| 85 | A | 27.8 | Very low | 30.2 | Very low | 53 Ų | 53 | 130.4 Ų | 130.4 | 44% | 0.438 | 69% | 0.69 | S | S | . | * | trans | -61.3 | 81.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1 I83 | M1-A85 HydrophobicContact CE-CB 4.07Å; M1-A85 HydrophobicContact SD-CB 4.15Å; I83-A85 VanDerWaalsContact C-N 3.25Å; I83-A85 PolarHBondContact O-N 3.04Å | ||
| 86 | R | 27.6 | Very low | 30.4 | Very low | 212 Ų | 212 | 130.3 Ų | 130.3 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | trans | -77.9 | 122.4 | 162.5 | -76.7 | -168.9 | 176.6 | -167.9 | 0.5 | 106.4 | T84 A88 | T84-R86 PolarHBondContact O-N 2.85Å; R86-A88 PolarHBondContact O-N 3.24Å | ||
| 87 | K | 27 | Very low | 30.6 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | trans | -50.1 | 115.2 | 166.9 | -157.9 | 178.1 | -173.5 | -176.7 | 0 | 105.8 | E89 | K87-E89 PolarHBondContact O-N 2.92Š| ||
| 88 | A | 30.7 | Very low | 30.9 | Very low | 61 Ų | 61 | 139.8 Ų | 139.8 | 50% | 0.504 | 72% | 0.721 | S | S | . | * | trans | -64.5 | 94.9 | 171 | 0 | 0 | 0 | 0 | 0 | 106 | R86 R90 | R86-A88 PolarHBondContact O-N 3.24Å; A88-R90 PolarHBondContact O-N 2.77Å; A88-R90 VanDerWaalsContact O-N 3.11Å | ||
| 89 | E | 26.6 | Very low | 31 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -55.2 | 117.3 | 152.6 | -83 | -175.6 | 141.2 | 0 | 0 | 104.7 | K87 P91 | K87-E89 PolarHBondContact O-N 2.92Å; E89-P91 WeakPolarHBondContact O-CD 3.15Å; E89-P91 VanDerWaalsContact O-N 3.12Å | ||
| 90 | R | 28.6 | Very low | 31.2 | Very low | 230 Ų | 230 | 141.1 Ų | 141.1 | 87% | 0.868 | 74% | 0.737 | S | S | * | * | trans | -46.2 | 125.9 | 164.7 | -120.9 | 176.9 | 175.1 | 160.9 | -2 | 104.4 | A88 S92 | A88-R90 PolarHBondContact O-N 2.77Å; A88-R90 VanDerWaalsContact O-N 3.11Å; R90-S92 VanDerWaalsContact C-N 3.27Å; R90-S92 PolarHBondContact O-N 3.21Å | ||
| 91 | P | 31.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | -53.2 | 111.6 | 161.5 | 21.6 | -27.7 | 0 | 0 | 0 | 104 | E89 Q93 | E89-P91 WeakPolarHBondContact O-CD 3.15Å; E89-P91 VanDerWaalsContact O-N 3.12Å; P91-Q93 PolarHBondContact O-N 2.73Å | ||
| 92 | S | 31.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -59.2 | 97 | 167.8 | 40.4 | 0 | 0 | 0 | 0 | 102.5 | R90 G94 | R90-S92 VanDerWaalsContact C-N 3.27Å; R90-S92 PolarHBondContact O-N 3.21Å; S92-G94 PolarHBondContact O-N 2.76Å | ||
| 93 | Q | 31.7 | Very low | 32.5 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | -62 | 100.4 | 174.9 | -159.1 | 170.5 | 8.7 | 0 | 0 | 103.3 | P91 G95 | P91-Q93 PolarHBondContact O-N 2.73Å; Q93-G95 PolarHBondContact O-N 3.46Å | ||
| 94 | G | 30 | Very low | 33 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | trans | -45 | 137 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | S92 K96 | S92-G94 PolarHBondContact O-N 2.76Å; G94-K96 PolarHBondContact O-N 3.42Å | ||
| 95 | G | 28.8 | Very low | 33.4 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -41.8 | 135.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q93 | Q93-G95 PolarHBondContact O-N 3.46Š| ||
| 96 | K | 36.3 | Very low | 34.1 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | -132 | 101.2 | 137.6 | -71.4 | -167.9 | 177.7 | 179.1 | 0 | 106.7 | G94 Y98 | G94-K96 PolarHBondContact O-N 3.42Å; K96-Y98 HydrophobicContact CB-CD2 3.42Å; K96-Y98 VanDerWaalsContact CB-CD2 3.42Å; K96-Y98 HydrophobicContact CB-CE2 3.28Å; K96-Y98 HydrophobicContact CB-CG 4.37Å; K96-Y98 HydrophobicContact CD-CD2 4.31Å; K96-Y98 HydrophobicContact CD-CE2 3.33Å; K96-Y98 VanDerWaalsContact CD-CZ 3.45Å; K96-Y98 WeakPolarHBondContact CD-OH 3.21Å; K96-Y98 HydrophobicContact CG-CD2 4.5Å; K96-Y98 HydrophobicContact CG-CE2 3.91Å; K96-Y98 PolarHBondContact NZ-OH 3.36Å; K96-Y98 PolarHBondContact O-N 2.81Å | ||
| 97 | D | 39.8 | Very low | 34.7 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -51.4 | 87.5 | 149.7 | -60.6 | -56.6 | 0 | 0 | 0 | 107.3 | N99 | D97-N99 PolarHBondContact O-N 3.02Š| ||
| 98 | Y | 41.3 | Very low | 35.2 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | -82.2 | 60.5 | 164.5 | -81.4 | -77.5 | 0 | 0 | 0 | 107.9 | K96 | K96-Y98 HydrophobicContact CB-CD2 3.42Å; K96-Y98 VanDerWaalsContact CB-CD2 3.42Å; K96-Y98 HydrophobicContact CB-CE2 3.28Å; K96-Y98 HydrophobicContact CB-CG 4.37Å; K96-Y98 HydrophobicContact CD-CD2 4.31Å; K96-Y98 HydrophobicContact CD-CE2 3.33Å; K96-Y98 VanDerWaalsContact CD-CZ 3.45Å; K96-Y98 WeakPolarHBondContact CD-OH 3.21Å; K96-Y98 HydrophobicContact CG-CD2 4.5Å; K96-Y98 HydrophobicContact CG-CE2 3.91Å; K96-Y98 PolarHBondContact NZ-OH 3.36Å; K96-Y98 PolarHBondContact O-N 2.81Å | ||
| 99 | N | 35.2 | Very low | 35.5 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -106.6 | 89.5 | 164.3 | -167.7 | 22.5 | 0 | 0 | 0 | 107.4 | D97 | D97-N99 PolarHBondContact O-N 3.02Š| ||
| 100 | G | 35.3 | Very low | 36.1 | Very low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 69.4 | 141.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 101 | T | 34.7 | Very low | 36.5 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 77.3 | 96.9 | 154.9 | -12.4 | 0 | 0 | 0 | 0 | 116.7 | K103 | T101-K103 PolarHBondContact O-N 3.27Š| ||
| 102 | A | 34.4 | Very low | 36.7 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -57.6 | 117.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 103 | K | 45 | Very low | 37 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -144.4 | 101.3 | 152.3 | -76.8 | -169.3 | 176.9 | 177.8 | 0 | 106.5 | T101 | T101-K103 PolarHBondContact O-N 3.27Š| ||
| 104 | S | 40.3 | Very low | 37.3 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | 67.3 | 102.5 | 90.8 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 105 | A | 37.5 | Very low | 37.8 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | 33.6 | 122.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 106 | Q | 42.7 | Very low | 38.4 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | 163.6 | 117.4 | 125.1 | -89.6 | 167.5 | -6.4 | 0 | 0 | 107.5 | |||||
| 107 | S | 39.4 | Very low | 38.5 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | 58.3 | 131.8 | 91 | -168.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 108 | T | 38.1 | Very low | 38.4 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | cis | -170.9 | 145.7 | -3.9 | -82.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 109 | T | 35.9 | Very low | 38.2 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | 23.6 | 145.3 | 152.9 | -35.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 110 | V | 40 | Very low | 38.5 | Very low | 212 Ų | 212 | 129.5 Ų | 129.5 | 100% | 1.285 | 81% | 0.812 | S | S | * | * | trans | 89.4 | 0 | 170.1 | -156.6 | 0 | 0 | 0 | 0 | 115 |
Retrieved 110 of 110 residues in 54.1 ms
(Link to these results)