| 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 | 54.9 | Low | 61.4 | Low | 216 Ų | 216 | 117.8 Ų | 117.8 | 100% | 1.064 | 60% | 0.595 | S | S | * | * | 0 | -38.4 | 0 | -71.2 | 175.3 | 136.3 | 0 | 0 | 112.6 | L3 R4 T5 | M1-L3 PolarHBondContact O-N 2.96Å; M1-R4 PolarHBondContact O-N 3.17Å; M1-T5 PolarHBondContact O-OG1 3.01Å | |||
| 2 | R | 57.7 | Low | 61.3 | Low | 154 Ų | 154 | 113.2 Ų | 113.2 | 58% | 0.581 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -56.8 | -39.4 | 178.4 | -57.9 | -96.1 | -169.2 | -154.1 | -5.4 | 115.3 | R4 T5 V6 C136 | R2-R4 VanDerWaalsContact C-N 3.34Å; R2-R4 PolarHBondContact O-N 2.99Å; R2-T5 WeakPolarHBondContact CA-OG1 3.29Å; R2-T5 PolarHBondContact O-N 2.85Å; R2-T5 PolarHBondContact O-OG1 2.9Å; R2-V6 WeakPolarHBondContact O-CG2 3.49Å; R2-V6 PolarHBondContact O-N 2.76Å; R2-V6 VanDerWaalsContact O-N 3.09Å; R2-C136 PolarHBondContact NE-OXT 3.31Å; R2-C136 VanDerWaalsContact NE-OXT 3.13Å |
| 3 | L | 55.9 | Low | 61.1 | Low | 122 Ų | 122 | 113.8 Ų | 113.8 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.6 | -32 | -178.9 | -158.2 | 70.8 | 0 | 0 | 0 | 113.2 | M1 S7 | M1-L3 PolarHBondContact O-N 2.96Å; L3-S7 WeakPolarHBondContact O-CB 3.3Å; L3-S7 PolarHBondContact O-N 3.38Å |
| 4 | R | 58.7 | Low | 60.9 | Low | 217 Ų | 217 | 115.1 Ų | 115.1 | 82% | 0.819 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.2 | -37.7 | 177.9 | -71.6 | -171.2 | 173.5 | 174.8 | -2.1 | 111.7 | M1 R2 A8 | M1-R4 PolarHBondContact O-N 3.17Å; R2-R4 VanDerWaalsContact C-N 3.34Å; R2-R4 PolarHBondContact O-N 2.99Å; R4-A8 WeakPolarHBondContact O-CB 3.11Å; R4-A8 PolarHBondContact O-N 3.12Å |
| 5 | T | 63.1 | Low | 60.5 | Low | 83 Ų | 83 | 111.7 Ų | 111.7 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.2 | -40.6 | 174.5 | 36 | 0 | 0 | 0 | 0 | 112 | M1 R2 A8 L9 | M1-T5 PolarHBondContact O-OG1 3.01Å; R2-T5 WeakPolarHBondContact CA-OG1 3.29Å; R2-T5 PolarHBondContact O-N 2.85Å; R2-T5 PolarHBondContact O-OG1 2.9Å; T5-A8 PolarHBondContact O-N 3.35Å; T5-L9 WeakPolarHBondContact O-CB 3.43Å; T5-L9 PolarHBondContact O-N 3.1Å |
| 6 | V | 64.9 | Low | 59.9 | Low | 37 Ų | 37 | 109.4 Ų | 109.4 | 22% | 0.224 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -63.7 | -45.4 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | R2 A8 L9 L10 L130 | R2-V6 WeakPolarHBondContact O-CG2 3.49Å; R2-V6 PolarHBondContact O-N 2.76Å; R2-V6 VanDerWaalsContact O-N 3.09Å; V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 PolarHBondContact O-N 3.36Å; V6-L9 PolarHBondContact O-N 2.84Å; V6-L10 WeakPolarHBondContact O-CB 3.11Å; V6-L10 PolarHBondContact O-N 3.27Å; V6-L130 HydrophobicContact CG1-CD2 3.35Å |
| 7 | S | 64.8 | Low | 59.6 | Low | 70 Ų | 70 | 107.2 Ų | 107.2 | 49% | 0.49 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.6 | -36.4 | 177.2 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | L3 M11 | L3-S7 WeakPolarHBondContact O-CB 3.3Å; L3-S7 PolarHBondContact O-N 3.38Å; S7-M11 WeakPolarHBondContact O-CB 3.46Å; S7-M11 VanDerWaalsContact O-CG 3.24Å; S7-M11 WeakPolarHBondContact O-CG 3.01Å; S7-M11 PolarHBondContact O-N 3.43Å |
| 8 | A | 66.6 | Low | 59.3 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.3 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R4 T5 V6 M11 S12 | R4-A8 WeakPolarHBondContact O-CB 3.11Å; R4-A8 PolarHBondContact O-N 3.12Å; T5-A8 PolarHBondContact O-N 3.35Å; V6-A8 VanDerWaalsContact C-N 3.31Å; V6-A8 PolarHBondContact O-N 3.36Å; A8-M11 PolarHBondContact O-N 2.96Å; A8-S12 WeakPolarHBondContact O-CB 3.38Å; A8-S12 PolarHBondContact O-N 3.47Å; A8-S12 PolarHBondContact O-OG 2.64Å |
| 9 | L | 63.2 | Low | 59.1 | Low | 106 Ų | 106 | 107.3 Ų | 107.3 | 56% | 0.555 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.8 | -47.5 | 173.7 | -95.1 | 142.8 | 0 | 0 | 0 | 111.2 | T5 V6 M11 S12 L13 | T5-L9 WeakPolarHBondContact O-CB 3.43Å; T5-L9 PolarHBondContact O-N 3.1Å; V6-L9 PolarHBondContact O-N 2.84Å; L9-M11 VanDerWaalsContact C-N 3.34Å; L9-M11 PolarHBondContact O-N 3.4Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-N 3.2Å; L9-S12 VanDerWaalsContact O-N 3.1Å; L9-S12 PolarHBondContact O-OG 3.33Å; L9-L13 HydrophobicContact CD2-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.31Å; L9-L13 PolarHBondContact O-N 3.32Å |
| 10 | L | 63.1 | Low | 59.1 | Low | 104 Ų | 104 | 108.9 Ų | 108.9 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.7 | -44.3 | 177.5 | -167.9 | 68 | 0 | 0 | 0 | 111.6 | V6 S12 L13 L14 | V6-L10 WeakPolarHBondContact O-CB 3.11Å; V6-L10 PolarHBondContact O-N 3.27Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.4Å; L10-L14 HydrophobicContact CD1-CD1 4.01Å; L10-L14 HydrophobicContact CG-CD1 4.06Å; L10-L14 WeakPolarHBondContact O-CD1 3.39Å; L10-L14 PolarHBondContact O-N 2.04Å |
| 11 | M | 62.5 | Low | 60 | Low | 126 Ų | 126 | 109.2 Ų | 109.2 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.4 | -32.9 | 175.2 | -72.3 | -60.2 | -63.8 | 0 | 0 | 113.1 | S7 A8 L9 G15 | S7-M11 WeakPolarHBondContact O-CB 3.46Å; S7-M11 VanDerWaalsContact O-CG 3.24Å; S7-M11 WeakPolarHBondContact O-CG 3.01Å; S7-M11 PolarHBondContact O-N 3.43Å; A8-M11 PolarHBondContact O-N 2.96Å; L9-M11 VanDerWaalsContact C-N 3.34Å; L9-M11 PolarHBondContact O-N 3.4Å; M11-G15 PolarHBondContact O-N 2.68Å |
| 12 | S | 59.6 | Low | 61.6 | Low | 62 Ų | 62 | 99.5 Ų | 99.5 | 43% | 0.434 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.6 | -36.9 | 175.4 | 69.7 | 0 | 0 | 0 | 0 | 113 | A8 L9 L10 G15 S16 | A8-S12 WeakPolarHBondContact O-CB 3.38Å; A8-S12 PolarHBondContact O-N 3.47Å; A8-S12 PolarHBondContact O-OG 2.64Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-N 3.2Å; L9-S12 VanDerWaalsContact O-N 3.1Å; L9-S12 PolarHBondContact O-OG 3.33Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.01Å; S12-G15 PolarHBondContact O-N 2.73Å; S12-S16 PolarHBondContact O-N 2.92Å; S12-S16 PolarHBondContact O-OG 2.94Å |
| 13 | L | 59 | Low | 63.3 | Low | 122 Ų | 122 | 95.9 Ų | 95.9 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.3 | -37.7 | 173.8 | -86.5 | 92.1 | 0 | 0 | 0 | 111.8 | L9 L10 | L9-L13 HydrophobicContact CD2-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.31Å; L9-L13 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 3.4Å |
| 14 | L | 58 | Low | 65.1 | Low | 131 Ų | 131 | 90.1 Ų | 90.1 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -75.2 | -26.9 | 176.1 | -88.4 | 79.3 | 0 | 0 | 0 | 113.3 | L10 | L10-L14 HydrophobicContact CD1-CD1 4.01Å; L10-L14 HydrophobicContact CG-CD1 4.06Å; L10-L14 WeakPolarHBondContact O-CD1 3.39Å; L10-L14 PolarHBondContact O-N 2.04Å |
| 15 | G | 54.8 | Low | 66.9 | Low | 64 Ų | 64 | 81 Ų | 81 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -84.6 | -11.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M11 S12 G17 | M11-G15 PolarHBondContact O-N 2.68Å; S12-G15 PolarHBondContact O-N 2.73Å; G15-G17 VanDerWaalsContact C-N 3.3Å; G15-G17 PolarHBondContact O-N 2.75Å |
| 16 | S | 51.6 | Low | 68.5 | Low | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 49% | 0.488 | S | S | . | . | trans | -77.5 | 83.8 | 172.6 | -56 | 0 | 0 | 0 | 0 | 108.3 | S12 L18 | S12-S16 PolarHBondContact O-N 2.92Å; S12-S16 PolarHBondContact O-OG 2.94Å; S16-L18 PolarHBondContact O-N 2.86Å | ||
| 17 | G | 55 | Low | 69.9 | Low | 72 Ų | 72 | 81 Ų | 81 | 74% | 0.742 | 48% | 0.482 | S | S | * | . | trans | -57.6 | 92.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | G15 A19 | G15-G17 VanDerWaalsContact C-N 3.3Å; G15-G17 PolarHBondContact O-N 2.75Å; G17-A19 PolarHBondContact O-N 3Å | ||
| 18 | L | 54.2 | Low | 71.4 | Confident | 151 Ų | 151 | 83.9 Ų | 83.9 | 79% | 0.791 | 49% | 0.488 | S | S | * | . | trans | -60.2 | 91.4 | 165 | -83.3 | 122.8 | 0 | 0 | 0 | 105.8 | S16 L20 | S16-L18 PolarHBondContact O-N 2.86Å; L18-L20 PolarHBondContact O-N 2.97Å | ||
| 19 | A | 55.9 | Low | 72.6 | Confident | 65 Ų | 65 | 84.4 Ų | 84.4 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | trans | -59.9 | 97.3 | 168 | 0 | 0 | 0 | 0 | 0 | 105.2 | G17 Q21 V44 | G17-A19 PolarHBondContact O-N 3Å; A19-Q21 PolarHBondContact O-N 2.91Å; A19-V44 HydrophobicContact CB-CB 3.87Å; A19-V44 HydrophobicContact CB-CG1 3.43Å; A19-V44 VanDerWaalsContact CB-CG1 3.43Å; A19-V44 WeakPolarHBondContact O-CG1 3.4Å | ||
| 20 | L | 58.8 | Low | 73.8 | Confident | 138 Ų | 138 | 84.5 Ų | 84.5 | 72% | 0.723 | 49% | 0.486 | S | S | * | . | trans | -76.7 | 92.6 | -175.2 | -154.4 | 79.8 | 0 | 0 | 0 | 108 | L18 I22 V44 | L18-L20 PolarHBondContact O-N 2.97Å; L20-I22 PolarHBondContact O-N 3.27Å; L20-V44 WeakPolarHBondContact O-CG1 3.46Å | ||
| 21 | Q | 76.7 | Confident | 75 | Confident | 117 Ų | 117 | 83.8 Ų | 83.8 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | trans | -70.4 | 100.1 | 176.4 | -169.3 | 166.5 | 20.9 | 0 | 0 | 108.8 | A19 N41 V44 | A19-Q21 PolarHBondContact O-N 2.91Å; Q21-N41 HydrophobicContact CG-CB 4.06Å; Q21-V44 HydrophobicContact CB-CG1 4.18Å; Q21-V44 HydrophobicContact CB-CG2 3.9Å; Q21-V44 HydrophobicContact CG-CG2 3.99Å | ||
| 22 | I | 89.8 | Confident | 76.1 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 6% | 0.056 | 46% | 0.463 | C | S | . | . | trans | -84.7 | 146.2 | 178.2 | -171.9 | 172.1 | 0 | 0 | 0 | 110.6 | L20 C42 P99 | L20-I22 PolarHBondContact O-N 3.27Å; I22-C42 HydrophobicContact CG2-CB 3.69Å; I22-C42 WeakPolarHBondContact O-CB 3.44Å; I22-C42 PolarHBondContact O-N 3.14Å; I22-P99 HydrophobicContact CG1-CB 4.2Å | ||
| 23 | Q | 93.1 | Very high | 77.5 | Confident | 79 Ų | 79 | 76.7 Ų | 76.7 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136 | 172.3 | -72.3 | -179.2 | -17.1 | 0 | 0 | 110.7 | I39 V40 N41 P99 L100 | Q23-I39 HydrophobicContact CB-CG2 4.06Å; Q23-I39 HydrophobicContact CG-CG2 4.37Å; Q23-V40 WeakPolarHBondContact CA-O 3.08Å; Q23-N41 WeakPolarHBondContact CG-OD1 3.14Å; Q23-N41 PolarHBondContact NE2-OD1 3.43Å; Q23-P99 CarbonylContact O-C 3.6Å; Q23-P99 WeakPolarHBondContact O-CA 3.29Å; Q23-L100 HydrophobicContact CB-CD2 3.77Å; Q23-L100 HydrophobicContact CB-CG 4.34Å; Q23-L100 PolarHBondContact O-N 3.5Å |
| 24 | C | 94.7 | Very high | 79 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 157.9 | 177 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | V40 C42 C50 | C24-V40 PolarHBondContact N-O 3.15Å; C24-V40 WeakPolarHBondContact O-CG2 3.31Å; C24-V40 PolarHBondContact O-N 3.21Å; C24-C42 PolarHBondContact SG-SG 3.27Å; C24-C50 HydrophobicContact CB-CB 3.75Å; C24-C50 WeakPolarHBondContact CB-SG 3.39Å; C24-C50 WeakPolarHBondContact SG-CA 3.44Å; C24-C50 WeakPolarHBondContact SG-CB 3.46Å; C24-C50 CovalentContact SG-SG 2.03Å; C24-C50 PolarHBondContact SG-SG 3Å |
| 25 | Y | 95.9 | Very high | 80.6 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 11% | 0.106 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 139.9 | 165.6 | -69.9 | -89.7 | 0 | 0 | 0 | 109.8 | C33 F38 I39 K65 S66 L100 N102 G103 | Y25-C33 WeakPolarHBondContact CD1-O 3.31Å; Y25-F38 CarbonylContact C-O 3.57Å; Y25-F38 WeakPolarHBondContact CA-O 3.15Å; Y25-F38 HydrophobicContact CD1-CB 4.13Å; Y25-I39 HydrophobicContact CD1-CG1 4.01Å; Y25-I39 HydrophobicContact CE1-CD1 4.18Å; Y25-I39 HydrophobicContact CE1-CG1 3.67Å; Y25-K65 CarbonylContact O-C 3.54Å; Y25-K65 VanDerWaalsContact O-CB 3.31Å; Y25-K65 WeakPolarHBondContact O-CB 3.15Å; Y25-S66 PolarHBondContact O-N 3.48Å; Y25-L100 HydrophobicContact CD2-CD2 4.43Å; Y25-L100 HydrophobicContact CE2-CB 3.98Å; Y25-L100 HydrophobicContact CE2-CD2 4.14Å; Y25-N102 PolarHBondContact N-OD1 3.13Å; Y25-N102 PolarHBondContact O-ND2 3.16Å; Y25-G103 VanDerWaalsContact CE2-CA 3.42Å |
| 26 | Q | 95.6 | Very high | 82.3 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | trans | -130.7 | 120.4 | 173.9 | -178.9 | 172.2 | 3.9 | 0 | 0 | 111.2 | F38 V40 K65 | Q26-F38 PolarHBondContact N-O 3.03Å; Q26-V40 HydrophobicContact CB-CB 4.48Å; Q26-V40 HydrophobicContact CB-CG1 3.98Å; Q26-V40 HydrophobicContact CB-CG2 3.63Å; Q26-K65 VanDerWaalsContact CA-O 3.26Å; Q26-K65 WeakPolarHBondContact CA-O 3.41Å | ||
| 27 | C | 95.3 | Very high | 84.3 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 11% | 0.108 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 166.2 | -179.7 | 77.5 | 0 | 0 | 0 | 0 | 112.2 | C33 F38 R64 K65 | C27-C33 HydrophobicContact CB-CB 3.45Å; C27-C33 VanDerWaalsContact CB-CB 3.45Å; C27-C33 WeakPolarHBondContact CB-SG 3.49Å; C27-C33 WeakPolarHBondContact SG-CB 3.48Å; C27-C33 CovalentContact SG-SG 2Å; C27-C33 PolarHBondContact SG-SG 2.96Å; C27-F38 HydrophobicContact CB-CD1 4Å; C27-F38 HydrophobicContact CB-CE1 4.41Å; C27-F38 HydrophobicContact CB-CG 4.5Å; C27-R64 WeakPolarHBondContact O-CA 3.31Å; C27-K65 PolarHBondContact N-O 3.29Å; C27-K65 PolarHBondContact O-N 3.45Å |
| 28 | E | 95.5 | Very high | 86.2 | Confident | 130 Ų | 130 | 71.4 Ų | 71.4 | 61% | 0.607 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 94.4 | 165.8 | -173.8 | 172.8 | 158 | 0 | 0 | 108.2 | L62 Y63 R64 | E28-L62 HydrophobicContact CG-CD1 4.23Å; E28-L62 HydrophobicContact CG-CD2 4.36Å; E28-Y63 WeakPolarHBondContact CA-O 3.26Å; E28-R64 HydrophobicContact CB-CG 4.35Å; E28-R64 HydrophobicContact CG-CG 4.3Å |
| 29 | M | 91.6 | Very high | 88.2 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 36% | 0.36 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160.7 | -169.6 | -65.5 | -177.1 | 167.5 | 0 | 0 | 111.6 | D31 C33 F38 Y63 | M29-D31 VanDerWaalsContact C-N 3.28Å; M29-D31 VanDerWaalsContact CB-OD1 3.31Å; M29-D31 WeakPolarHBondContact CB-OD1 2.97Å; M29-C33 HydrophobicContact SD-CB 4.21Å; M29-F38 HydrophobicContact CE-CE1 3.51Å; M29-F38 HydrophobicContact CE-CZ 3.63Å; M29-F38 HydrophobicContact SD-CE1 3.75Å; M29-F38 HydrophobicContact SD-CE2 4.44Å; M29-F38 HydrophobicContact SD-CZ 3.53Å; M29-F38 VanDerWaalsContact SD-CZ 3.53Å; M29-Y63 PolarHBondContact N-O 3.5Å; M29-Y63 PolarHBondContact O-N 2.84Å |
| 30 | T | 89.8 | Confident | 89.9 | Confident | 108 Ų | 108 | 65.5 Ų | 65.5 | 66% | 0.663 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -79.9 | -11.5 | 178 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | I61 L62 | T30-I61 WeakPolarHBondContact CA-O 3.43Å; T30-L62 HydrophobicContact CG2-CD1 4.47Å |
| 31 | D | 87.6 | Confident | 91.5 | Very high | 88 Ų | 88 | 63.2 Ų | 63.2 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -104 | 161.4 | 167.6 | 69.1 | -56.1 | 0 | 0 | 0 | 111.3 | M29 C33 | M29-D31 VanDerWaalsContact C-N 3.28Å; M29-D31 VanDerWaalsContact CB-OD1 3.31Å; M29-D31 WeakPolarHBondContact CB-OD1 2.97Å; D31-C33 PolarHBondContact O-N 2Å |
| 32 | D | 85.1 | Confident | 92.1 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | trans | -73.1 | 11.2 | -174.8 | -163 | 24 | 0 | 0 | 0 | 113.2 | A34 K52 Y63 K65 P104 | D32-A34 PolarHBondContact O-N 3.04Å; D32-K52 IonicContact OD1-NZ 3.36Å; D32-K52 PolarHBondContact OD1-NZ 2.87Å; D32-K52 IonicContact OD2-NZ 3.93Å; D32-K52 PolarHBondContact OD2-NZ 3.03Å; D32-Y63 HydrophobicContact CB-CD2 4.43Å; D32-Y63 HydrophobicContact CB-CE2 4.43Å; D32-Y63 HydrophobicContact CB-CG 4.49Å; D32-K65 WeakPolarHBondContact O-CE 3.38Å; D32-K65 PolarHBondContact O-NZ 2.9Å; D32-K65 WeakPolarHBondContact OD1-CE 3.36Å; D32-K65 IonicContact OD1-NZ 3.87Å; D32-K65 PolarHBondContact OD1-NZ 3.26Å; D32-K65 IonicContact OD2-NZ 3.3Å; D32-P104 WeakPolarHBondContact OD2-CA 3.41Å | ||
| 33 | C | 89.6 | Confident | 91.9 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | 41 | 48.3 | 172.2 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | Y25 C27 M29 D31 A35 F38 | Y25-C33 WeakPolarHBondContact CD1-O 3.31Å; C27-C33 HydrophobicContact CB-CB 3.45Å; C27-C33 VanDerWaalsContact CB-CB 3.45Å; C27-C33 WeakPolarHBondContact CB-SG 3.49Å; C27-C33 WeakPolarHBondContact SG-CB 3.48Å; C27-C33 CovalentContact SG-SG 2Å; C27-C33 PolarHBondContact SG-SG 2.96Å; M29-C33 HydrophobicContact SD-CB 4.21Å; D31-C33 PolarHBondContact O-N 2Å; C33-A35 PolarHBondContact O-N 2.82Å; C33-F38 HydrophobicContact CB-CD1 4.41Å; C33-F38 HydrophobicContact CB-CD2 3.88Å; C33-F38 HydrophobicContact CB-CE2 4.02Å; C33-F38 HydrophobicContact CB-CG 4.08Å; C33-F38 HydrophobicContact CB-CZ 4.35Å; C33-F38 WeakPolarHBondContact O-CD2 3.16Å | ||
| 34 | A | 89.8 | Confident | 90.3 | Very high | 46 Ų | 46 | 60 Ų | 60 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -83.3 | 5.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D32 P104 | D32-A34 PolarHBondContact O-N 3.04Å; A34-P104 HydrophobicContact CB-CB 4.1Å; A34-P104 HydrophobicContact CB-CG 3.71Å | ||
| 35 | A | 91.8 | Very high | 88.6 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -85.5 | 150.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C33 E37 F38 | C33-A35 PolarHBondContact O-N 2.82Å; A35-E37 HydrophobicContact CB-CG 4.27Å; A35-E37 WeakPolarHBondContact CB-OE1 3.03Å; A35-E37 WeakPolarHBondContact CB-OE2 3.39Å; A35-E37 PolarHBondContact O-N 2.87Å; A35-F38 HydrophobicContact CB-CD2 4.01Å; A35-F38 HydrophobicContact CB-CE2 4.11Å; A35-F38 PolarHBondContact O-N 2.82Å; A35-F38 VanDerWaalsContact O-N 3.14Å |
| 36 | P | 91.6 | Very high | 87.3 | Confident | 97 Ų | 97 | 71.1 Ų | 71.1 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -64.7 | -22.3 | -171.8 | 26.5 | -35.4 | 0 | 0 | 0 | 114.1 | F38 I39 | P36-F38 PolarHBondContact O-N 2.69Å; P36-I39 HydrophobicContact CB-CD1 4.22Å; P36-I39 WeakPolarHBondContact O-CB 2.99Å; P36-I39 WeakPolarHBondContact O-CG1 3.39Å; P36-I39 PolarHBondContact O-N 3.3Å |
| 37 | E | 93.7 | Very high | 86.4 | Confident | 140 Ų | 140 | 69 Ų | 69 | 65% | 0.654 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -61.9 | -20.5 | 174.6 | 59.4 | -91.7 | -151.9 | 0 | 0 | 113.7 | A35 I39 | A35-E37 HydrophobicContact CB-CG 4.27Å; A35-E37 WeakPolarHBondContact CB-OE1 3.03Å; A35-E37 WeakPolarHBondContact CB-OE2 3.39Å; A35-E37 PolarHBondContact O-N 2.87Å; E37-I39 VanDerWaalsContact C-N 3.35Å |
| 38 | F | 94.7 | Very high | 86 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 18% | 0.18 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -89 | -0.3 | 176.6 | -61.5 | -69.4 | 0 | 0 | 0 | 113.2 | Y25 Q26 C27 M29 C33 A35 P36 V40 | Y25-F38 CarbonylContact C-O 3.57Å; Y25-F38 WeakPolarHBondContact CA-O 3.15Å; Y25-F38 HydrophobicContact CD1-CB 4.13Å; Q26-F38 PolarHBondContact N-O 3.03Å; C27-F38 HydrophobicContact CB-CD1 4Å; C27-F38 HydrophobicContact CB-CE1 4.41Å; C27-F38 HydrophobicContact CB-CG 4.5Å; M29-F38 HydrophobicContact CE-CE1 3.51Å; M29-F38 HydrophobicContact CE-CZ 3.63Å; M29-F38 HydrophobicContact SD-CE1 3.75Å; M29-F38 HydrophobicContact SD-CE2 4.44Å; M29-F38 HydrophobicContact SD-CZ 3.53Å; M29-F38 VanDerWaalsContact SD-CZ 3.53Å; C33-F38 HydrophobicContact CB-CD1 4.41Å; C33-F38 HydrophobicContact CB-CD2 3.88Å; C33-F38 HydrophobicContact CB-CE2 4.02Å; C33-F38 HydrophobicContact CB-CG 4.08Å; C33-F38 HydrophobicContact CB-CZ 4.35Å; C33-F38 WeakPolarHBondContact O-CD2 3.16Å; A35-F38 HydrophobicContact CB-CD2 4.01Å; A35-F38 HydrophobicContact CB-CE2 4.11Å; A35-F38 PolarHBondContact O-N 2.82Å; A35-F38 VanDerWaalsContact O-N 3.14Å; P36-F38 PolarHBondContact O-N 2.69Å; F38-V40 PolarHBondContact O-N 3.28Å |
| 39 | I | 94.7 | Very high | 85.8 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.4 | 179.3 | -61.1 | 173.7 | 0 | 0 | 0 | 109.3 | Q23 Y25 P36 E37 L100 | Q23-I39 HydrophobicContact CB-CG2 4.06Å; Q23-I39 HydrophobicContact CG-CG2 4.37Å; Y25-I39 HydrophobicContact CD1-CG1 4.01Å; Y25-I39 HydrophobicContact CE1-CD1 4.18Å; Y25-I39 HydrophobicContact CE1-CG1 3.67Å; P36-I39 HydrophobicContact CB-CD1 4.22Å; P36-I39 WeakPolarHBondContact O-CB 2.99Å; P36-I39 WeakPolarHBondContact O-CG1 3.39Å; P36-I39 PolarHBondContact O-N 3.3Å; E37-I39 VanDerWaalsContact C-N 3.35Å; I39-L100 HydrophobicContact CB-CD2 4.42Å; I39-L100 HydrophobicContact CD1-CD1 4.35Å; I39-L100 HydrophobicContact CD1-CD2 3.94Å; I39-L100 HydrophobicContact CG1-CD2 3.95Å; I39-L100 HydrophobicContact CG2-CD2 3.65Å |
| 40 | V | 93.4 | Very high | 86 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 26% | 0.255 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148.2 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | Q23 C24 Q26 F38 | Q23-V40 WeakPolarHBondContact CA-O 3.08Å; C24-V40 PolarHBondContact N-O 3.15Å; C24-V40 WeakPolarHBondContact O-CG2 3.31Å; C24-V40 PolarHBondContact O-N 3.21Å; Q26-V40 HydrophobicContact CB-CB 4.48Å; Q26-V40 HydrophobicContact CB-CG1 3.98Å; Q26-V40 HydrophobicContact CB-CG2 3.63Å; F38-V40 PolarHBondContact O-N 3.28Å |
| 41 | N | 92.1 | Very high | 86.3 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 114.2 | 169.6 | -61.5 | -58.4 | 0 | 0 | 0 | 108.5 | Q21 Q23 | Q21-N41 HydrophobicContact CG-CB 4.06Å; Q23-N41 WeakPolarHBondContact CG-OD1 3.14Å; Q23-N41 PolarHBondContact NE2-OD1 3.43Å |
| 42 | C | 89.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | trans | -64.9 | 139.3 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | I22 C24 V44 Q47 C67 | I22-C42 HydrophobicContact CG2-CB 3.69Å; I22-C42 WeakPolarHBondContact O-CB 3.44Å; I22-C42 PolarHBondContact O-N 3.14Å; C24-C42 PolarHBondContact SG-SG 3.27Å; C42-V44 PolarHBondContact O-N 3.13Å; C42-Q47 HydrophobicContact CB-CB 4.18Å; C42-C67 WeakPolarHBondContact CA-SG 3.43Å; C42-C67 HydrophobicContact CB-CB 3.75Å; C42-C67 WeakPolarHBondContact CB-SG 3.45Å; C42-C67 WeakPolarHBondContact SG-CB 2.96Å; C42-C67 CovalentContact SG-SG 2.03Å; C42-C67 PolarHBondContact SG-SG 3.38Å | ||
| 43 | T | 84.1 | Confident | 87.1 | Confident | 88 Ų | 88 | 55.2 Ų | 55.2 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | trans | -73 | 127 | 178.7 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | N45 Q47 | T43-N45 VanDerWaalsContact C-N 3.26Å; T43-N45 PolarHBondContact O-N 2.95Å; T43-N45 VanDerWaalsContact O-N 3.15Å; T43-Q47 PolarHBondContact O-N 2.78Å; T43-Q47 PolarHBondContact OG1-NE2 2Å | ||
| 44 | V | 60.4 | Low | 87.3 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.2 | -154.9 | -140.4 | 0 | 0 | 0 | 0 | 115.1 | A19 L20 Q21 C42 | A19-V44 HydrophobicContact CB-CB 3.87Å; A19-V44 HydrophobicContact CB-CG1 3.43Å; A19-V44 VanDerWaalsContact CB-CG1 3.43Å; A19-V44 WeakPolarHBondContact O-CG1 3.4Å; L20-V44 WeakPolarHBondContact O-CG1 3.46Å; Q21-V44 HydrophobicContact CB-CG1 4.18Å; Q21-V44 HydrophobicContact CB-CG2 3.9Å; Q21-V44 HydrophobicContact CG-CG2 3.99Å; C42-V44 PolarHBondContact O-N 3.13Å |
| 45 | N | 59.5 | Low | 87.5 | Confident | 157 Ų | 157 | 56.1 Ų | 56.1 | 84% | 0.84 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -8.2 | -175.5 | -80.1 | 40 | 0 | 0 | 0 | 113.9 | T43 | T43-N45 VanDerWaalsContact C-N 3.26Å; T43-N45 PolarHBondContact O-N 2.95Å; T43-N45 VanDerWaalsContact O-N 3.15Å |
| 46 | V | 68.3 | Low | 87.5 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.5 | -31.8 | -178 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | S69 | V46-S69 WeakPolarHBondContact O-CA 3.45Å; V46-S69 WeakPolarHBondContact O-CB 3.41Å |
| 47 | Q | 77.3 | Confident | 87.4 | Confident | 58 Ų | 58 | 54 Ų | 54 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | trans | -112.2 | 95.3 | -166.6 | -58.7 | 179.4 | 88.9 | 0 | 0 | 111.5 | C42 T43 C67 A68 | C42-Q47 HydrophobicContact CB-CB 4.18Å; T43-Q47 PolarHBondContact O-N 2.78Å; T43-Q47 PolarHBondContact OG1-NE2 2Å; Q47-C67 HydrophobicContact CB-CB 3.98Å; Q47-C67 HydrophobicContact CG-CB 4.36Å; Q47-C67 PolarHBondContact OE1-O 3.48Å; Q47-C67 VanDerWaalsContact OE1-O 3.07Å; Q47-A68 CarbonylContact C-O 3.54Å; Q47-A68 WeakPolarHBondContact CA-O 3.39Å | ||
| 48 | D | 86.7 | Confident | 87.3 | Confident | 81 Ų | 81 | 52.9 Ų | 52.9 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | trans | -104.2 | 3.7 | -176.4 | 64.3 | -34.7 | 0 | 0 | 0 | 113.6 | A68 S69 S70 | D48-A68 PolarHBondContact N-O 3.32Å; D48-S69 WeakPolarHBondContact OD1-CA 3.16Å; D48-S70 PolarHBondContact OD1-N 3.23Å; D48-S70 PolarHBondContact OD1-OG 2.83Å; D48-S70 PolarHBondContact OD2-OG 2.03Å | ||
| 49 | M | 91.5 | Very high | 87 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 14% | 0.143 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.8 | 179.6 | -71.9 | -161.3 | 161.1 | 0 | 0 | 113.2 | A68 S70 C95 C96 | M49-A68 PolarHBondContact N-O 3.35Å; M49-A68 PolarHBondContact O-N 2.92Å; M49-S70 WeakPolarHBondContact CE-OG 3.02Å; M49-S70 WeakPolarHBondContact CG-OG 3.03Å; M49-S70 PolarHBondContact SD-OG 2.81Å; M49-C95 HydrophobicContact SD-CB 4.3Å; M49-C96 CarbonylContact C-O 3.53Å; M49-C96 WeakPolarHBondContact CA-O 3.36Å; M49-C96 WeakPolarHBondContact CB-O 3.39Å |
| 50 | C | 94.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.3 | 165.3 | -48.6 | 0 | 0 | 0 | 0 | 110.4 | C24 C95 C96 N102 | C24-C50 HydrophobicContact CB-CB 3.75Å; C24-C50 WeakPolarHBondContact CB-SG 3.39Å; C24-C50 WeakPolarHBondContact SG-CA 3.44Å; C24-C50 WeakPolarHBondContact SG-CB 3.46Å; C24-C50 CovalentContact SG-SG 2.03Å; C24-C50 PolarHBondContact SG-SG 3Å; C50-C95 WeakPolarHBondContact O-CA 3.48Å; C50-C96 PolarHBondContact N-O 3.33Å; C50-C96 PolarHBondContact O-N 3.12Å; C50-N102 HydrophobicContact CB-CB 3.78Å |
| 51 | Q | 95.5 | Very high | 86.7 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.3 | 174.1 | -179.3 | 166.7 | -28.7 | 0 | 0 | 109.8 | E53 K65 S66 A68 I93 N102 | Q51-E53 HydrophobicContact CG-CG 4.27Å; Q51-E53 PolarHBondContact NE2-OE1 2.86Å; Q51-K65 WeakPolarHBondContact O-CA 3.28Å; Q51-S66 PolarHBondContact N-O 3.47Å; Q51-S66 PolarHBondContact O-N 2.97Å; Q51-S66 VanDerWaalsContact O-N 3.15Å; Q51-A68 HydrophobicContact CB-CB 3.96Å; Q51-A68 VanDerWaalsContact OE1-CB 3.28Å; Q51-I93 HydrophobicContact CG-CG2 4.21Å; Q51-N102 PolarHBondContact O-ND2 3.45Å; Q51-N102 VanDerWaalsContact O-ND2 3.12Å |
| 52 | K | 95.4 | Very high | 86.8 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124.5 | 169.2 | 171.7 | 167.6 | 176.5 | 154.2 | 0 | 109.5 | D32 V54 K65 I93 S94 N102 | D32-K52 IonicContact OD1-NZ 3.36Å; D32-K52 PolarHBondContact OD1-NZ 2.87Å; D32-K52 IonicContact OD2-NZ 3.93Å; D32-K52 PolarHBondContact OD2-NZ 3.03Å; K52-V54 HydrophobicContact CG-CG2 4.36Å; K52-K65 HydrophobicContact CG-CG 4.49Å; K52-I93 CarbonylContact O-C 3.52Å; K52-I93 WeakPolarHBondContact O-CA 3.21Å; K52-S94 PolarHBondContact N-O 3.42Å; K52-S94 PolarHBondContact O-N 3.17Å; K52-S94 PolarHBondContact O-OG 3.07Å; K52-N102 HydrophobicContact CB-CB 4Å |
| 53 | E | 95 | Very high | 87.1 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.8 | 171.5 | -47.2 | -175 | 173.6 | 0 | 0 | 109.7 | Q51 L55 R64 C92 I93 | Q51-E53 HydrophobicContact CG-CG 4.27Å; Q51-E53 PolarHBondContact NE2-OE1 2.86Å; E53-L55 HydrophobicContact CB-CD1 3.84Å; E53-R64 HydrophobicContact CB-CB 4.16Å; E53-R64 PolarHBondContact N-O 3.47Å; E53-R64 PolarHBondContact O-N 2.97Å; E53-R64 IonicContact OE1-CZ 3.65Å; E53-R64 IonicContact OE1-NE 3.95Å; E53-R64 IonicContact OE1-NH2 2.86Å; E53-R64 PolarHBondContact OE1-NH2 3.12Å; E53-R64 IonicContact OE2-CZ 3.15Å; E53-R64 IonicContact OE2-NE 2.84Å; E53-R64 PolarHBondContact OE2-NE 2.76Å; E53-R64 IonicContact OE2-NH2 2.69Å; E53-R64 PolarHBondContact OE2-NH2 3.15Å; E53-C92 CarbonylContact C-O 3.56Å; E53-C92 VanDerWaalsContact CA-O 3.28Å; E53-C92 WeakPolarHBondContact CA-O 3.44Å; E53-I93 HydrophobicContact CB-CG1 4.4Å; E53-I93 HydrophobicContact CG-CB 4.49Å; E53-I93 HydrophobicContact CG-CD1 4.3Å; E53-I93 HydrophobicContact CG-CG1 3.94Å; E53-I93 HydrophobicContact CG-CG2 4.26Å |
| 54 | V | 94.1 | Very high | 87.6 | Confident | 32 Ų | 32 | 60 Ų | 60 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 114.4 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 106.7 | K52 I61 Y63 V91 C92 | K52-V54 HydrophobicContact CG-CG2 4.36Å; V54-I61 HydrophobicContact CG1-CG2 3.55Å; V54-Y63 HydrophobicContact CG1-CD1 4.48Å; V54-Y63 HydrophobicContact CG1-CE1 4.08Å; V54-Y63 HydrophobicContact CG2-CD1 3.91Å; V54-Y63 HydrophobicContact CG2-CE1 3.85Å; V54-V91 WeakPolarHBondContact O-CA 3.48Å; V54-C92 HydrophobicContact CB-CB 4.37Å; V54-C92 PolarHBondContact N-O 3.21Å; V54-C92 PolarHBondContact O-N 3.07Å |
| 55 | L | 93.3 | Very high | 89.3 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.8 | 178.3 | -64.1 | 80.5 | 0 | 0 | 0 | 107.3 | E53 I61 L62 R64 V91 | E53-L55 HydrophobicContact CB-CD1 3.84Å; L55-I61 CarbonylContact O-C 3.55Å; L55-I61 WeakPolarHBondContact O-CA 3.39Å; L55-L62 HydrophobicContact CB-CB 4.23Å; L55-L62 HydrophobicContact CD2-CD2 4.45Å; L55-L62 PolarHBondContact N-O 2.69Å; L55-L62 PolarHBondContact O-N 2.89Å; L55-R64 HydrophobicContact CD1-CB 4.46Å; L55-V91 HydrophobicContact CG-CG1 4.32Å; L55-V91 HydrophobicContact CG-CG2 4.24Å |
| 56 | V | 92.5 | Very high | 91 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.1 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 107.5 | I61 K87 H89 S90 | V56-I61 HydrophobicContact CG1-CG1 4.49Å; V56-K87 VanDerWaalsContact CB-O 3.3Å; V56-K87 WeakPolarHBondContact CB-O 3.36Å; V56-H89 WeakPolarHBondContact O-CA 3.39Å; V56-H89 PolarHBondContact O-N 3Å; V56-S90 PolarHBondContact N-O 3.49Å |
| 57 | N | 88.9 | Confident | 92.3 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 177 | -179 | -62.9 | -27.2 | 0 | 0 | 0 | 110.4 | D59 G60 | N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.48Å; N57-G60 PolarHBondContact N-O 3.02Å; N57-G60 PolarHBondContact O-N 2.84Å |
| 58 | D | 91.8 | Very high | 93.1 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 62% | 0.62 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -36.8 | 174.9 | -63.7 | -56.1 | 0 | 0 | 0 | 112.5 | G60 L88 H89 | D58-G60 PolarHBondContact O-N 2.88Å; D58-L88 WeakPolarHBondContact OD1-CD2 3.25Å; D58-H89 IonicContact OD1-CE1 3.93Å; D58-H89 IonicContact OD1-NE2 2.75Å; D58-H89 IonicContact OD2-CE1 3.9Å; D58-H89 PolarHBondContact OD2-CE1 3.4Å; D58-H89 VanDerWaalsContact OD2-CE1 3.3Å; D58-H89 IonicContact OD2-NE2 2.73Å |
| 59 | D | 88.4 | Confident | 93.3 | Very high | 165 Ų | 165 | 41.8 Ų | 41.8 | 88% | 0.882 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5.1 | -179.8 | -57 | -53.7 | 0 | 0 | 0 | 113.7 | N57 | N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.48Å |
| 60 | G | 90.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.1 | -155.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N57 D58 | N57-G60 PolarHBondContact N-O 3.02Å; N57-G60 PolarHBondContact O-N 2.84Å; D58-G60 PolarHBondContact O-N 2.88Å |
| 61 | I | 92.2 | Very high | 93.1 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.5 | -178.1 | -56.3 | 175.7 | 0 | 0 | 0 | 108.9 | T30 V54 L55 V56 Y63 | T30-I61 WeakPolarHBondContact CA-O 3.43Å; V54-I61 HydrophobicContact CG1-CG2 3.55Å; L55-I61 CarbonylContact O-C 3.55Å; L55-I61 WeakPolarHBondContact O-CA 3.39Å; V56-I61 HydrophobicContact CG1-CG1 4.49Å; I61-Y63 HydrophobicContact CB-CE2 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.24Å; I61-Y63 HydrophobicContact CG2-CE1 4.22Å; I61-Y63 HydrophobicContact CG2-CE2 3.67Å |
| 62 | L | 94.3 | Very high | 92.9 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.3 | 172.5 | -179.8 | 75.4 | 0 | 0 | 0 | 109.4 | E28 T30 L55 | E28-L62 HydrophobicContact CG-CD1 4.23Å; E28-L62 HydrophobicContact CG-CD2 4.36Å; T30-L62 HydrophobicContact CG2-CD1 4.47Å; L55-L62 HydrophobicContact CB-CB 4.23Å; L55-L62 HydrophobicContact CD2-CD2 4.45Å; L55-L62 PolarHBondContact N-O 2.69Å; L55-L62 PolarHBondContact O-N 2.89Å |
| 63 | Y | 94.3 | Very high | 92.9 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.7 | 173.8 | -65 | -84.2 | 0 | 0 | 0 | 109.4 | E28 M29 D32 V54 I61 | E28-Y63 WeakPolarHBondContact CA-O 3.26Å; M29-Y63 PolarHBondContact N-O 3.5Å; M29-Y63 PolarHBondContact O-N 2.84Å; D32-Y63 HydrophobicContact CB-CD2 4.43Å; D32-Y63 HydrophobicContact CB-CE2 4.43Å; D32-Y63 HydrophobicContact CB-CG 4.49Å; V54-Y63 HydrophobicContact CG1-CD1 4.48Å; V54-Y63 HydrophobicContact CG1-CE1 4.08Å; V54-Y63 HydrophobicContact CG2-CD1 3.91Å; V54-Y63 HydrophobicContact CG2-CE1 3.85Å; I61-Y63 HydrophobicContact CB-CE2 4.3Å; I61-Y63 HydrophobicContact CG2-CD2 4.24Å; I61-Y63 HydrophobicContact CG2-CE1 4.22Å; I61-Y63 HydrophobicContact CG2-CE2 3.67Å |
| 64 | R | 95.6 | Very high | 92.7 | Very high | 100 Ų | 100 | 49.6 Ų | 49.6 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.2 | 172.2 | -163.2 | 166.4 | 70 | 118.1 | -4.1 | 109.6 | C27 E28 E53 L55 | C27-R64 WeakPolarHBondContact O-CA 3.31Å; E28-R64 HydrophobicContact CB-CG 4.35Å; E28-R64 HydrophobicContact CG-CG 4.3Å; E53-R64 HydrophobicContact CB-CB 4.16Å; E53-R64 PolarHBondContact N-O 3.47Å; E53-R64 PolarHBondContact O-N 2.97Å; E53-R64 IonicContact OE1-CZ 3.65Å; E53-R64 IonicContact OE1-NE 3.95Å; E53-R64 IonicContact OE1-NH2 2.86Å; E53-R64 PolarHBondContact OE1-NH2 3.12Å; E53-R64 IonicContact OE2-CZ 3.15Å; E53-R64 IonicContact OE2-NE 2.84Å; E53-R64 PolarHBondContact OE2-NE 2.76Å; E53-R64 IonicContact OE2-NH2 2.69Å; E53-R64 PolarHBondContact OE2-NH2 3.15Å; L55-R64 HydrophobicContact CD1-CB 4.46Å |
| 65 | K | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.9 | -177.8 | -61.4 | -173.6 | -171 | -178.3 | 0 | 109.4 | Y25 Q26 C27 D32 Q51 K52 N102 | Y25-K65 CarbonylContact O-C 3.54Å; Y25-K65 VanDerWaalsContact O-CB 3.31Å; Y25-K65 WeakPolarHBondContact O-CB 3.15Å; Q26-K65 VanDerWaalsContact CA-O 3.26Å; Q26-K65 WeakPolarHBondContact CA-O 3.41Å; C27-K65 PolarHBondContact N-O 3.29Å; C27-K65 PolarHBondContact O-N 3.45Å; D32-K65 WeakPolarHBondContact O-CE 3.38Å; D32-K65 PolarHBondContact O-NZ 2.9Å; D32-K65 WeakPolarHBondContact OD1-CE 3.36Å; D32-K65 IonicContact OD1-NZ 3.87Å; D32-K65 PolarHBondContact OD1-NZ 3.26Å; D32-K65 IonicContact OD2-NZ 3.3Å; Q51-K65 WeakPolarHBondContact O-CA 3.28Å; K52-K65 HydrophobicContact CG-CG 4.49Å; K65-N102 VanDerWaalsContact CD-O 3.31Å; K65-N102 WeakPolarHBondContact CD-O 3.09Å; K65-N102 WeakPolarHBondContact CE-O 3.13Å; K65-N102 PolarHBondContact NZ-O 3.23Å |
| 66 | S | 94.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 166.2 | 178.7 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | Y25 Q51 | Y25-S66 PolarHBondContact O-N 3.48Å; Q51-S66 PolarHBondContact N-O 3.47Å; Q51-S66 PolarHBondContact O-N 2.97Å; Q51-S66 VanDerWaalsContact O-N 3.15Å |
| 67 | C | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.081 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 148.6 | 156.2 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | C42 Q47 | C42-C67 WeakPolarHBondContact CA-SG 3.43Å; C42-C67 HydrophobicContact CB-CB 3.75Å; C42-C67 WeakPolarHBondContact CB-SG 3.45Å; C42-C67 WeakPolarHBondContact SG-CB 2.96Å; C42-C67 CovalentContact SG-SG 2.03Å; C42-C67 PolarHBondContact SG-SG 3.38Å; Q47-C67 HydrophobicContact CB-CB 3.98Å; Q47-C67 HydrophobicContact CG-CB 4.36Å; Q47-C67 PolarHBondContact OE1-O 3.48Å; Q47-C67 VanDerWaalsContact OE1-O 3.07Å |
| 68 | A | 94.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 159.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q47 D48 M49 Q51 C73 | Q47-A68 CarbonylContact C-O 3.54Å; Q47-A68 WeakPolarHBondContact CA-O 3.39Å; D48-A68 PolarHBondContact N-O 3.32Å; M49-A68 PolarHBondContact N-O 3.35Å; M49-A68 PolarHBondContact O-N 2.92Å; Q51-A68 HydrophobicContact CB-CB 3.96Å; Q51-A68 VanDerWaalsContact OE1-CB 3.28Å; A68-C73 HydrophobicContact CB-CB 3.94Å |
| 69 | S | 92.6 | Very high | 93 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | trans | -76.1 | 151.9 | 165.4 | 73.4 | 0 | 0 | 0 | 0 | 110.2 | V46 D48 S71 A72 C73 | V46-S69 WeakPolarHBondContact O-CA 3.45Å; V46-S69 WeakPolarHBondContact O-CB 3.41Å; D48-S69 WeakPolarHBondContact OD1-CA 3.16Å; S69-S71 PolarHBondContact O-N 2.91Å; S69-S71 PolarHBondContact OG-OG 3.06Å; S69-S71 VanDerWaalsContact OG-OG 3.06Å; S69-A72 PolarHBondContact O-N 2.02Å; S69-A72 WeakPolarHBondContact OG-CB 3.03Å; S69-A72 PolarHBondContact OG-N 3.23Å; S69-C73 WeakPolarHBondContact O-CB 2.97Å; S69-C73 PolarHBondContact O-N 3.44Å | ||
| 70 | S | 90.2 | Very high | 93.1 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -49.8 | -44.3 | 172.4 | -75.6 | 0 | 0 | 0 | 0 | 111.6 | D48 M49 L74 | D48-S70 PolarHBondContact OD1-N 3.23Å; D48-S70 PolarHBondContact OD1-OG 2.83Å; D48-S70 PolarHBondContact OD2-OG 2.03Å; M49-S70 WeakPolarHBondContact CE-OG 3.02Å; M49-S70 WeakPolarHBondContact CG-OG 3.03Å; M49-S70 PolarHBondContact SD-OG 2.81Å; S70-L74 VanDerWaalsContact O-CB 3.25Å; S70-L74 WeakPolarHBondContact O-CB 3.4Å; S70-L74 WeakPolarHBondContact O-CD1 3.47Å; S70-L74 WeakPolarHBondContact O-CG 3.06Å; S70-L74 PolarHBondContact O-N 2.95Å |
| 71 | S | 90.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 54 Ų | 54 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68 | -47 | 179.5 | 55 | 0 | 0 | 0 | 0 | 113 | S69 L74 I75 | S69-S71 PolarHBondContact O-N 2.91Å; S69-S71 PolarHBondContact OG-OG 3.06Å; S69-S71 VanDerWaalsContact OG-OG 3.06Å; S71-L74 PolarHBondContact O-N 3.48Å; S71-I75 WeakPolarHBondContact O-CB 3.47Å; S71-I75 WeakPolarHBondContact O-CD1 3.34Å; S71-I75 WeakPolarHBondContact O-CG1 3.33Å; S71-I75 PolarHBondContact O-N 2.93Å |
| 72 | A | 92.5 | Very high | 92.9 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S69 L74 I75 S76 | S69-A72 PolarHBondContact O-N 2.02Å; S69-A72 WeakPolarHBondContact OG-CB 3.03Å; S69-A72 PolarHBondContact OG-N 3.23Å; A72-L74 PolarHBondContact O-N 3.23Å; A72-I75 PolarHBondContact O-N 2.03Å; A72-S76 PolarHBondContact O-N 3.36Å; A72-S76 PolarHBondContact O-OG 2.78Å |
| 73 | C | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 179.9 | -162.7 | 0 | 0 | 0 | 0 | 111.4 | A68 S69 I75 S76 S77 C95 | A68-C73 HydrophobicContact CB-CB 3.94Å; S69-C73 WeakPolarHBondContact O-CB 2.97Å; S69-C73 PolarHBondContact O-N 3.44Å; C73-I75 PolarHBondContact O-N 3.35Å; C73-S76 PolarHBondContact O-N 3.49Å; C73-S77 WeakPolarHBondContact O-CB 3.18Å; C73-S77 PolarHBondContact O-N 3.04Å; C73-S77 PolarHBondContact O-OG 2.84Å; C73-C95 HydrophobicContact CB-CB 3.89Å; C73-C95 WeakPolarHBondContact CB-SG 3.26Å; C73-C95 PolarHBondContact O-SG 3.02Å; C73-C95 VanDerWaalsContact SG-CA 3.53Å; C73-C95 WeakPolarHBondContact SG-CB 3.39Å; C73-C95 CovalentContact SG-SG 2.02Å; C73-C95 PolarHBondContact SG-SG 3.4Å |
| 74 | L | 91.1 | Very high | 92.5 | Very high | 100 Ų | 100 | 63 Ų | 63 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.9 | -74.8 | 172.4 | 0 | 0 | 0 | 112.2 | S70 S71 A72 S77 S78 | S70-L74 VanDerWaalsContact O-CB 3.25Å; S70-L74 WeakPolarHBondContact O-CB 3.4Å; S70-L74 WeakPolarHBondContact O-CD1 3.47Å; S70-L74 WeakPolarHBondContact O-CG 3.06Å; S70-L74 PolarHBondContact O-N 2.95Å; S71-L74 PolarHBondContact O-N 3.48Å; A72-L74 PolarHBondContact O-N 3.23Å; L74-S77 WeakPolarHBondContact CA-OG 3.03Å; L74-S77 PolarHBondContact O-N 3.29Å; L74-S77 PolarHBondContact O-OG 3.49Å; L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.69Å; L74-S78 PolarHBondContact O-OG 3.11Å |
| 75 | I | 94.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 62.6 Ų | 62.6 | 61% | 0.605 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.2 | -52.7 | 175 | -69.6 | 163.4 | 0 | 0 | 0 | 110 | S71 A72 C73 S77 S78 G79 | S71-I75 WeakPolarHBondContact O-CB 3.47Å; S71-I75 WeakPolarHBondContact O-CD1 3.34Å; S71-I75 WeakPolarHBondContact O-CG1 3.33Å; S71-I75 PolarHBondContact O-N 2.93Å; A72-I75 PolarHBondContact O-N 2.03Å; C73-I75 PolarHBondContact O-N 3.35Å; I75-S77 PolarHBondContact O-N 2.82Å; I75-S78 PolarHBondContact O-N 2.86Å; I75-S78 PolarHBondContact O-OG 3.05Å; I75-G79 PolarHBondContact O-N 3.35Å; I75-G79 VanDerWaalsContact O-N 3.11Å |
| 76 | S | 93.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 178.1 | -64 | 0 | 0 | 0 | 0 | 111.8 | A72 C73 S78 G79 Y80 | A72-S76 PolarHBondContact O-N 3.36Å; A72-S76 PolarHBondContact O-OG 2.78Å; C73-S76 PolarHBondContact O-N 3.49Å; S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact O-N 3.37Å; S76-G79 PolarHBondContact O-N 3.36Å; S76-Y80 WeakPolarHBondContact O-CD2 3.35Å; S76-Y80 PolarHBondContact O-N 2.63Å |
| 77 | S | 94.2 | Very high | 91.7 | Very high | 26 Ų | 26 | 71 Ų | 71 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | -179.6 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | C73 L74 I75 Y80 Q81 | C73-S77 WeakPolarHBondContact O-CB 3.18Å; C73-S77 PolarHBondContact O-N 3.04Å; C73-S77 PolarHBondContact O-OG 2.84Å; L74-S77 WeakPolarHBondContact CA-OG 3.03Å; L74-S77 PolarHBondContact O-N 3.29Å; L74-S77 PolarHBondContact O-OG 3.49Å; I75-S77 PolarHBondContact O-N 2.82Å; S77-Y80 PolarHBondContact O-N 3.21Å; S77-Q81 WeakPolarHBondContact O-CB 3.07Å; S77-Q81 PolarHBondContact O-N 3.26Å |
| 78 | S | 92.6 | Very high | 91.4 | Very high | 69 Ų | 69 | 75 Ų | 75 | 48% | 0.483 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 179.7 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | L74 I75 S76 Y80 Q81 | L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.69Å; L74-S78 PolarHBondContact O-OG 3.11Å; I75-S78 PolarHBondContact O-N 2.86Å; I75-S78 PolarHBondContact O-OG 3.05Å; S76-S78 VanDerWaalsContact C-N 3.33Å; S76-S78 PolarHBondContact O-N 3.37Å; S78-Y80 PolarHBondContact O-N 3.02Å; S78-Q81 PolarHBondContact O-N 3.38Å |
| 79 | G | 92.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 80.4 Ų | 80.4 | 43% | 0.433 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67 | -36 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I75 S76 | I75-G79 PolarHBondContact O-N 3.35Å; I75-G79 VanDerWaalsContact O-N 3.11Å; S76-G79 PolarHBondContact O-N 3.36Å |
| 80 | Y | 91.3 | Very high | 91.1 | Very high | 114 Ų | 114 | 79.6 Ų | 79.6 | 45% | 0.447 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -92.4 | -8.8 | -179.7 | -72.9 | -85 | 0 | 0 | 0 | 114.3 | S76 S77 S78 Q82 F83 C84 V91 I93 | S76-Y80 WeakPolarHBondContact O-CD2 3.35Å; S76-Y80 PolarHBondContact O-N 2.63Å; S77-Y80 PolarHBondContact O-N 3.21Å; S78-Y80 PolarHBondContact O-N 3.02Å; Y80-Q82 PolarHBondContact O-N 3.01Å; Y80-Q82 VanDerWaalsContact O-N 3.15Å; Y80-F83 CarbonylContact O-C 3.56Å; Y80-F83 WeakPolarHBondContact O-CA 3.37Å; Y80-F83 PolarHBondContact O-N 3.06Å; Y80-C84 PolarHBondContact O-N 3.37Å; Y80-V91 HydrophobicContact CD1-CB 3.7Å; Y80-V91 HydrophobicContact CD1-CG1 3.83Å; Y80-V91 HydrophobicContact CD1-CG2 4.36Å; Y80-V91 HydrophobicContact CE1-CB 4.14Å; Y80-V91 HydrophobicContact CE1-CG1 4.16Å; Y80-V91 HydrophobicContact CE1-CG2 4.34Å; Y80-V91 HydrophobicContact CG-CB 4.41Å; Y80-V91 HydrophobicContact CG-CG1 4.18Å; Y80-I93 HydrophobicContact CD2-CD1 3.39Å; Y80-I93 HydrophobicContact CD2-CG1 4.36Å; Y80-I93 HydrophobicContact CE2-CD1 3.99Å; Y80-I93 HydrophobicContact CG-CD1 3.9Å; Y80-I93 HydrophobicContact CG-CG1 4.42Å |
| 81 | Q | 90.2 | Very high | 91.2 | Very high | 146 Ų | 146 | 79.5 Ų | 79.5 | 68% | 0.682 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -37.1 | -176.1 | -171.4 | 172.4 | 4.9 | 0 | 0 | 112.8 | S77 S78 F83 | S77-Q81 WeakPolarHBondContact O-CB 3.07Å; S77-Q81 PolarHBondContact O-N 3.26Å; S78-Q81 PolarHBondContact O-N 3.38Å; Q81-F83 VanDerWaalsContact C-N 3.27Å; Q81-F83 PolarHBondContact O-N 2.8Å |
| 82 | Q | 88.8 | Confident | 91.4 | Very high | 168 Ų | 168 | 77.1 Ų | 77.1 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.6 | 177.8 | -64 | -178 | -40.5 | 0 | 0 | 113.1 | Y80 | Y80-Q82 PolarHBondContact O-N 3.01Å; Y80-Q82 VanDerWaalsContact O-N 3.15Å |
| 83 | F | 88.1 | Confident | 91.6 | Very high | 125 Ų | 125 | 76.2 Ų | 76.2 | 55% | 0.548 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -11.4 | -177.6 | -54.3 | -72.2 | 0 | 0 | 0 | 113 | Y80 Q81 T85 S90 | Y80-F83 CarbonylContact O-C 3.56Å; Y80-F83 WeakPolarHBondContact O-CA 3.37Å; Y80-F83 PolarHBondContact O-N 3.06Å; Q81-F83 VanDerWaalsContact C-N 3.27Å; Q81-F83 PolarHBondContact O-N 2.8Å; F83-T85 VanDerWaalsContact C-N 3.33Å; F83-T85 PolarHBondContact O-N 3.03Å; F83-S90 VanDerWaalsContact O-CB 3.31Å; F83-S90 WeakPolarHBondContact O-CB 3.39Å |
| 84 | C | 91.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 79.1 Ų | 79.1 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | trans | -74.3 | 82.9 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | Y80 V91 C92 | Y80-C84 PolarHBondContact O-N 3.37Å; C84-V91 WeakPolarHBondContact CA-O 3.29Å; C84-V91 WeakPolarHBondContact CB-O 3.46Å; C84-C92 WeakPolarHBondContact CA-SG 3.19Å; C84-C92 HydrophobicContact CB-CB 3.99Å; C84-C92 WeakPolarHBondContact CB-SG 3.32Å; C84-C92 VanDerWaalsContact SG-CA 3.54Å; C84-C92 WeakPolarHBondContact SG-CB 3.36Å; C84-C92 CovalentContact SG-SG 2.04Å; C84-C92 PolarHBondContact SG-SG 3.43Å | ||
| 85 | T | 91.4 | Very high | 91.8 | Very high | 93 Ų | 93 | 76.2 Ų | 76.2 | 57% | 0.571 | 42% | 0.422 | S | S | * | . | trans | -98 | -11.3 | 174.9 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | F83 K87 S90 | F83-T85 VanDerWaalsContact C-N 3.33Å; F83-T85 PolarHBondContact O-N 3.03Å; T85-K87 PolarHBondContact O-N 3.01Å; T85-K87 PolarHBondContact OG1-N 3.28Å; T85-S90 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 86 | G | 87.1 | Confident | 91.8 | Very high | 56 Ų | 56 | 72.1 Ų | 72.1 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 70.4 | 10.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S90 | G86-S90 VanDerWaalsContact CA-OG 3.29Å; G86-S90 WeakPolarHBondContact CA-OG 3.4Å; G86-S90 PolarHBondContact N-OG 2.75Å; G86-S90 VanDerWaalsContact N-OG 3.12Å |
| 87 | K | 89.9 | Confident | 91.7 | Very high | 153 Ų | 153 | 73.8 Ų | 73.8 | 67% | 0.665 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -104.9 | 178.1 | 177.5 | -62.5 | -175.6 | 179.7 | -179.9 | 0 | 110.9 | V56 T85 H89 S90 | V56-K87 VanDerWaalsContact CB-O 3.3Å; V56-K87 WeakPolarHBondContact CB-O 3.36Å; T85-K87 PolarHBondContact O-N 3.01Å; T85-K87 PolarHBondContact OG1-N 3.28Å; K87-H89 PolarHBondContact O-N 3.21Å; K87-S90 PolarHBondContact N-OG 2.95Å; K87-S90 VanDerWaalsContact N-OG 3.1Å; K87-S90 WeakPolarHBondContact O-CB 3.12Å; K87-S90 PolarHBondContact O-N 3Å; K87-S90 PolarHBondContact O-OG 3.23Å |
| 88 | L | 89.7 | Confident | 91.6 | Very high | 96 Ų | 96 | 76.5 Ų | 76.5 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 137.2 | 173.4 | -154.5 | 84.6 | 0 | 0 | 0 | 111.4 | D58 S90 | D58-L88 WeakPolarHBondContact OD1-CD2 3.25Å; L88-S90 PolarHBondContact O-N 2.99Å |
| 89 | H | 88.1 | Confident | 91.6 | Very high | 119 Ų | 119 | 77.4 Ų | 77.4 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 19.4 | -172.9 | -48.6 | -65.8 | 0 | 0 | 0 | 115.6 | V56 D58 K87 | V56-H89 WeakPolarHBondContact O-CA 3.39Å; V56-H89 PolarHBondContact O-N 3Å; D58-H89 IonicContact OD1-CE1 3.93Å; D58-H89 IonicContact OD1-NE2 2.75Å; D58-H89 IonicContact OD2-CE1 3.9Å; D58-H89 PolarHBondContact OD2-CE1 3.4Å; D58-H89 VanDerWaalsContact OD2-CE1 3.3Å; D58-H89 IonicContact OD2-NE2 2.73Å; K87-H89 PolarHBondContact O-N 3.21Å |
| 90 | S | 91.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | trans | -88.9 | 142.5 | 170.9 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | V56 F83 T85 G86 K87 L88 | V56-S90 PolarHBondContact N-O 3.49Å; F83-S90 VanDerWaalsContact O-CB 3.31Å; F83-S90 WeakPolarHBondContact O-CB 3.39Å; T85-S90 WeakPolarHBondContact OG1-CB 3.41Å; G86-S90 VanDerWaalsContact CA-OG 3.29Å; G86-S90 WeakPolarHBondContact CA-OG 3.4Å; G86-S90 PolarHBondContact N-OG 2.75Å; G86-S90 VanDerWaalsContact N-OG 3.12Å; K87-S90 PolarHBondContact N-OG 2.95Å; K87-S90 VanDerWaalsContact N-OG 3.1Å; K87-S90 WeakPolarHBondContact O-CB 3.12Å; K87-S90 PolarHBondContact O-N 3Å; K87-S90 PolarHBondContact O-OG 3.23Å; L88-S90 PolarHBondContact O-N 2.99Å | ||
| 91 | V | 93.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 74.7 Ų | 74.7 | 17% | 0.17 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.3 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | V54 L55 Y80 C84 I93 | V54-V91 WeakPolarHBondContact O-CA 3.48Å; L55-V91 HydrophobicContact CG-CG1 4.32Å; L55-V91 HydrophobicContact CG-CG2 4.24Å; Y80-V91 HydrophobicContact CD1-CB 3.7Å; Y80-V91 HydrophobicContact CD1-CG1 3.83Å; Y80-V91 HydrophobicContact CD1-CG2 4.36Å; Y80-V91 HydrophobicContact CE1-CB 4.14Å; Y80-V91 HydrophobicContact CE1-CG1 4.16Å; Y80-V91 HydrophobicContact CE1-CG2 4.34Å; Y80-V91 HydrophobicContact CG-CB 4.41Å; Y80-V91 HydrophobicContact CG-CG1 4.18Å; C84-V91 WeakPolarHBondContact CA-O 3.29Å; C84-V91 WeakPolarHBondContact CB-O 3.46Å; V91-I93 HydrophobicContact CG1-CD1 4.4Å; V91-I93 HydrophobicContact CG1-CG1 4.05Å |
| 92 | C | 94.9 | Very high | 91.9 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 17% | 0.169 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 113.8 | -179.9 | -72.4 | 0 | 0 | 0 | 0 | 109.9 | E53 V54 C84 | E53-C92 CarbonylContact C-O 3.56Å; E53-C92 VanDerWaalsContact CA-O 3.28Å; E53-C92 WeakPolarHBondContact CA-O 3.44Å; V54-C92 HydrophobicContact CB-CB 4.37Å; V54-C92 PolarHBondContact N-O 3.21Å; V54-C92 PolarHBondContact O-N 3.07Å; C84-C92 WeakPolarHBondContact CA-SG 3.19Å; C84-C92 HydrophobicContact CB-CB 3.99Å; C84-C92 WeakPolarHBondContact CB-SG 3.32Å; C84-C92 VanDerWaalsContact SG-CA 3.54Å; C84-C92 WeakPolarHBondContact SG-CB 3.36Å; C84-C92 CovalentContact SG-SG 2.04Å; C84-C92 PolarHBondContact SG-SG 3.43Å |
| 93 | I | 95.7 | Very high | 92.1 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.4 | -179.8 | -52.4 | -173.5 | 0 | 0 | 0 | 109.1 | Q51 K52 E53 Y80 V91 | Q51-I93 HydrophobicContact CG-CG2 4.21Å; K52-I93 CarbonylContact O-C 3.52Å; K52-I93 WeakPolarHBondContact O-CA 3.21Å; E53-I93 HydrophobicContact CB-CG1 4.4Å; E53-I93 HydrophobicContact CG-CB 4.49Å; E53-I93 HydrophobicContact CG-CD1 4.3Å; E53-I93 HydrophobicContact CG-CG1 3.94Å; E53-I93 HydrophobicContact CG-CG2 4.26Å; Y80-I93 HydrophobicContact CD2-CD1 3.39Å; Y80-I93 HydrophobicContact CD2-CG1 4.36Å; Y80-I93 HydrophobicContact CE2-CD1 3.99Å; Y80-I93 HydrophobicContact CG-CD1 3.9Å; Y80-I93 HydrophobicContact CG-CG1 4.42Å; V91-I93 HydrophobicContact CG1-CD1 4.4Å; V91-I93 HydrophobicContact CG1-CG1 4.05Å |
| 94 | S | 94.4 | Very high | 91.9 | Very high | 62 Ų | 62 | 57 Ų | 57 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.2 | 177.4 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | K52 | K52-S94 PolarHBondContact N-O 3.42Å; K52-S94 PolarHBondContact O-N 3.17Å; K52-S94 PolarHBondContact O-OG 3.07Å |
| 95 | C | 94.8 | Very high | 91.1 | Very high | 38 Ų | 38 | 65.6 Ų | 65.6 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.5 | -174.7 | -52.4 | 0 | 0 | 0 | 0 | 110 | M49 C50 C73 | M49-C95 HydrophobicContact SD-CB 4.3Å; C50-C95 WeakPolarHBondContact O-CA 3.48Å; C73-C95 HydrophobicContact CB-CB 3.89Å; C73-C95 WeakPolarHBondContact CB-SG 3.26Å; C73-C95 PolarHBondContact O-SG 3.02Å; C73-C95 VanDerWaalsContact SG-CA 3.53Å; C73-C95 WeakPolarHBondContact SG-CB 3.39Å; C73-C95 CovalentContact SG-SG 2.02Å; C73-C95 PolarHBondContact SG-SG 3.4Å |
| 96 | C | 93.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 69.4 Ų | 69.4 | 22% | 0.223 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 147.7 | 175.8 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | M49 C50 C101 | M49-C96 CarbonylContact C-O 3.53Å; M49-C96 WeakPolarHBondContact CA-O 3.36Å; M49-C96 WeakPolarHBondContact CB-O 3.39Å; C50-C96 PolarHBondContact N-O 3.33Å; C50-C96 PolarHBondContact O-N 3.12Å; C96-C101 HydrophobicContact CB-CB 3.77Å; C96-C101 WeakPolarHBondContact CB-SG 3.46Å; C96-C101 PolarHBondContact O-SG 3.06Å; C96-C101 WeakPolarHBondContact SG-CB 3.47Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.15Å |
| 97 | S | 91.9 | Very high | 88.2 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | trans | -103.8 | 13.8 | -176.4 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 98 | T | 91.5 | Very high | 86.4 | Confident | 83 Ų | 83 | 80.6 Ų | 80.6 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -101.9 | 142.1 | 177.5 | 43.3 | 0 | 0 | 0 | 0 | 109.8 | L100 C101 | T98-L100 PolarHBondContact O-N 3.11Å; T98-C101 WeakPolarHBondContact O-CB 2.98Å; T98-C101 PolarHBondContact O-N 2.81Å; T98-C101 PolarHBondContact O-SG 3.19Å; T98-C101 WeakPolarHBondContact OG1-CB 3.23Å |
| 99 | P | 92.1 | Very high | 84.6 | Confident | 88 Ų | 88 | 86.9 Ų | 86.9 | 57% | 0.571 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 137.8 | -178.3 | 24.6 | -33.1 | 0 | 0 | 0 | 110.5 | I22 Q23 C101 | I22-P99 HydrophobicContact CG1-CB 4.2Å; Q23-P99 CarbonylContact O-C 3.6Å; Q23-P99 WeakPolarHBondContact O-CA 3.29Å; P99-C101 PolarHBondContact O-N 2.75Å; P99-C101 VanDerWaalsContact O-N 3.13Å |
| 100 | L | 93.1 | Very high | 82.4 | Confident | 59 Ų | 59 | 86.9 Ų | 86.9 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 14.8 | 177.3 | -51.2 | 178.4 | 0 | 0 | 0 | 114.7 | Q23 Y25 I39 T98 N102 G103 | Q23-L100 HydrophobicContact CB-CD2 3.77Å; Q23-L100 HydrophobicContact CB-CG 4.34Å; Q23-L100 PolarHBondContact O-N 3.5Å; Y25-L100 HydrophobicContact CD2-CD2 4.43Å; Y25-L100 HydrophobicContact CE2-CB 3.98Å; Y25-L100 HydrophobicContact CE2-CD2 4.14Å; I39-L100 HydrophobicContact CB-CD2 4.42Å; I39-L100 HydrophobicContact CD1-CD1 4.35Å; I39-L100 HydrophobicContact CD1-CD2 3.94Å; I39-L100 HydrophobicContact CG1-CD2 3.95Å; I39-L100 HydrophobicContact CG2-CD2 3.65Å; T98-L100 PolarHBondContact O-N 3.11Å; L100-N102 VanDerWaalsContact C-N 3.26Å; L100-N102 PolarHBondContact O-N 3.24Å; L100-G103 PolarHBondContact O-N 3.02Å |
| 101 | C | 93.6 | Very high | 80.4 | Confident | 40 Ų | 40 | 94.6 Ų | 94.6 | 27% | 0.27 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.7 | -173.9 | 64.2 | 0 | 0 | 0 | 0 | 114.6 | C96 T98 P99 G103 | C96-C101 HydrophobicContact CB-CB 3.77Å; C96-C101 WeakPolarHBondContact CB-SG 3.46Å; C96-C101 PolarHBondContact O-SG 3.06Å; C96-C101 WeakPolarHBondContact SG-CB 3.47Å; C96-C101 CovalentContact SG-SG 2Å; C96-C101 PolarHBondContact SG-SG 3.15Å; T98-C101 WeakPolarHBondContact O-CB 2.98Å; T98-C101 PolarHBondContact O-N 2.81Å; T98-C101 PolarHBondContact O-SG 3.19Å; T98-C101 WeakPolarHBondContact OG1-CB 3.23Å; P99-C101 PolarHBondContact O-N 2.75Å; P99-C101 VanDerWaalsContact O-N 3.13Å; C101-G103 PolarHBondContact O-N 2.77Å |
| 102 | N | 94.6 | Very high | 78 | Confident | 3 Ų | 3 | 98.2 Ų | 98.2 | 2% | 0.016 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 4.1 | 173.4 | 68.1 | -20.4 | 0 | 0 | 0 | 113.2 | Y25 C50 Q51 K52 K65 L100 | Y25-N102 PolarHBondContact N-OD1 3.13Å; Y25-N102 PolarHBondContact O-ND2 3.16Å; C50-N102 HydrophobicContact CB-CB 3.78Å; Q51-N102 PolarHBondContact O-ND2 3.45Å; Q51-N102 VanDerWaalsContact O-ND2 3.12Å; K52-N102 HydrophobicContact CB-CB 4Å; K65-N102 VanDerWaalsContact CD-O 3.31Å; K65-N102 WeakPolarHBondContact CD-O 3.09Å; K65-N102 WeakPolarHBondContact CE-O 3.13Å; K65-N102 PolarHBondContact NZ-O 3.23Å; L100-N102 VanDerWaalsContact C-N 3.26Å; L100-N102 PolarHBondContact O-N 3.24Å |
| 103 | G | 91.3 | Very high | 76.2 | Confident | 8 Ų | 8 | 102.5 Ų | 102.5 | 8% | 0.082 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -67 | -176 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y25 L100 C101 R105 | Y25-G103 VanDerWaalsContact CE2-CA 3.42Å; L100-G103 PolarHBondContact O-N 3.02Å; C101-G103 PolarHBondContact O-N 2.77Å; G103-R105 PolarHBondContact O-N 3.33Å |
| 104 | P | 84.8 | Confident | 74 | Confident | 57 Ų | 57 | 106.9 Ų | 106.9 | 37% | 0.37 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -55.3 | 136.1 | 174.7 | 26 | -36.2 | 0 | 0 | 0 | 109.7 | D32 A34 Q106 | D32-P104 WeakPolarHBondContact OD2-CA 3.41Å; A34-P104 HydrophobicContact CB-CB 4.1Å; A34-P104 HydrophobicContact CB-CG 3.71Å; P104-Q106 PolarHBondContact O-N 3.39Å |
| 105 | R | 75.2 | Confident | 71.5 | Confident | 237 Ų | 237 | 107.5 Ų | 107.5 | 89% | 0.894 | 58% | 0.58 | S | S | * | * | trans | -60.3 | 111.2 | 174.9 | -78.5 | -156.6 | -161.6 | -172.4 | 8.2 | 108.1 | G103 K107 | G103-R105 PolarHBondContact O-N 3.33Å; R105-K107 PolarHBondContact O-N 3.42Å | ||
| 106 | Q | 64.4 | Low | 69.4 | Low | 172 Ų | 172 | 110.7 Ų | 110.7 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | trans | -53.4 | 111.4 | 158.5 | -66.2 | -81.3 | -13.2 | 0 | 0 | 105.7 | P104 R108 | P104-Q106 PolarHBondContact O-N 3.39Å; Q106-R108 VanDerWaalsContact C-N 3.25Å; Q106-R108 PolarHBondContact O-N 3.36Å | ||
| 107 | K | 53.4 | Low | 67.2 | Low | 208 Ų | 208 | 112.6 Ų | 112.6 | 90% | 0.904 | 63% | 0.627 | S | S | * | * | trans | -57.5 | 98.5 | 168.8 | -96.1 | -179.7 | 176.7 | 175.2 | 0 | 105.5 | R105 R109 | R105-K107 PolarHBondContact O-N 3.42Å; K107-R109 PolarHBondContact O-N 2.89Å | ||
| 108 | R | 51.3 | Low | 65.2 | Low | 236 Ų | 236 | 114.4 Ų | 114.4 | 89% | 0.891 | 64% | 0.637 | S | S | * | * | trans | -58.9 | 105.6 | 174 | -76 | -171.2 | -164.2 | 177.5 | 4.8 | 106.2 | Q106 | Q106-R108 VanDerWaalsContact C-N 3.25Å; Q106-R108 PolarHBondContact O-N 3.36Å | ||
| 109 | R | 53.3 | Low | 63.5 | Low | 229 Ų | 229 | 116.7 Ų | 116.7 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 128.9 | 152.2 | -156.9 | 174.5 | -164.1 | -177.9 | 3.6 | 104.8 | K107 L111 | K107-R109 PolarHBondContact O-N 2.89Å; R109-L111 PolarHBondContact O-N 2.67Å |
| 110 | P | 40.7 | Very low | 61.9 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 77% | 0.773 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 118.8 | -179.1 | 16.6 | -27.9 | 0 | 0 | 0 | 108.5 | ||
| 111 | L | 50.1 | Low | 60.1 | Low | 162 Ų | 162 | 117.6 Ų | 117.6 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 125.5 | 177.5 | -168 | 72.6 | 0 | 0 | 0 | 106.5 | R109 S113 | R109-L111 PolarHBondContact O-N 2.67Å; L111-S113 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact O-N 3.17Å |
| 112 | P | 43.6 | Very low | 58.5 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.9 | 169.6 | 23.3 | -29.5 | 0 | 0 | 0 | 108.2 | S114 | P112-S114 PolarHBondContact O-N 3.1Š|
| 113 | S | 56.3 | Low | 56.8 | Low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | trans | -59.2 | 102.2 | 169.9 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | L111 | L111-S113 PolarHBondContact O-N 3.4Å; L111-S113 VanDerWaalsContact O-N 3.17Å | ||
| 114 | S | 49.9 | Very low | 55.3 | Low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | -163 | 126.5 | 168.8 | -78.5 | 0 | 0 | 0 | 0 | 111.6 | P112 | P112-S114 PolarHBondContact O-N 3.1Š| ||
| 115 | G | 42.5 | Very low | 54.2 | Low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | 105.6 | 98.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115 | A117 | G115-A117 PolarHBondContact O-N 2.93Š| ||
| 116 | A | 49.9 | Very low | 53.6 | Low | 104 Ų | 104 | 127.5 Ų | 127.5 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -50.8 | 125.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 117 | A | 48.5 | Very low | 53.7 | Low | 74 Ų | 74 | 122.8 Ų | 122.8 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | trans | -72.2 | 132.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | G115 T119 | G115-A117 PolarHBondContact O-N 2.93Å; A117-T119 PolarHBondContact O-N 3Å | ||
| 118 | P | 49.4 | Very low | 54.2 | Low | 113 Ų | 113 | 117.4 Ų | 117.4 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -78.2 | 92.8 | 175.2 | 31.4 | -30.3 | 0 | 0 | 0 | 108.9 | G120 | P118-G120 PolarHBondContact O-N 3.44Š| ||
| 119 | T | 56.1 | Low | 54.8 | Low | 130 Ų | 130 | 111.7 Ų | 111.7 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 25.3 | 176.7 | 46.1 | 0 | 0 | 0 | 0 | 113.6 | A117 | A117-T119 PolarHBondContact O-N 3Š|
| 120 | G | 56.9 | Low | 55.2 | Low | 47 Ų | 47 | 103.8 Ų | 103.8 | 49% | 0.485 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106 | -19.8 | -171 | 0 | 0 | 0 | 0 | 0 | 117 | P118 L124 | P118-G120 PolarHBondContact O-N 3.44Å; G120-L124 PolarHBondContact O-N 3.35Å |
| 121 | L | 55.3 | Low | 56.2 | Low | 119 Ų | 119 | 103.3 Ų | 103.3 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.1 | -39.7 | -168.9 | -77 | 153.1 | 0 | 0 | 0 | 115.9 | L123 M125 | L121-L123 PolarHBondContact O-N 3.5Å; L121-M125 WeakPolarHBondContact O-CG 3.37Å; L121-M125 PolarHBondContact O-N 3.3Å |
| 122 | P | 60.6 | Low | 56.8 | Low | 103 Ų | 103 | 100.9 Ų | 100.9 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.9 | -28.6 | -175.7 | 26.7 | -31.2 | 0 | 0 | 0 | 112.8 | L126 | P122-L126 PolarHBondContact O-N 3.13Å |
| 123 | L | 58.7 | Low | 57.4 | Low | 126 Ų | 126 | 98.6 Ų | 98.6 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.9 | -39.9 | 179.6 | -152.6 | 82.2 | 0 | 0 | 0 | 111.6 | L121 L126 V127 | L121-L123 PolarHBondContact O-N 3.5Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-V127 VanDerWaalsContact O-CG2 3.29Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 2.83Å |
| 124 | L | 59.8 | Low | 57.6 | Low | 107 Ų | 107 | 97.9 Ų | 97.9 | 56% | 0.56 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -41.5 | 179.6 | -164.3 | 82.8 | 0 | 0 | 0 | 111.8 | G120 L126 V127 L128 | G120-L124 PolarHBondContact O-N 3.35Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L124-V127 PolarHBondContact O-N 3.28Å; L124-L128 HydrophobicContact CG-CD1 4.31Å; L124-L128 PolarHBondContact O-N 2.99Å |
| 125 | M | 61.4 | Low | 58 | Low | 112 Ų | 112 | 100 Ų | 100 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.1 | -36.1 | 177.6 | -66.2 | -59.4 | -69.9 | 0 | 0 | 112.2 | L121 L129 | L121-M125 WeakPolarHBondContact O-CG 3.37Å; L121-M125 PolarHBondContact O-N 3.3Å; M125-L129 WeakPolarHBondContact O-CG 3.36Å; M125-L129 PolarHBondContact O-N 3.42Å |
| 126 | L | 62.8 | Low | 58.4 | Low | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.2 | -41.7 | 176.2 | -164.8 | 65.1 | 0 | 0 | 0 | 111.2 | P122 L123 L124 L129 L130 | P122-L126 PolarHBondContact O-N 3.13Å; L123-L126 PolarHBondContact O-N 2.92Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L126-L129 PolarHBondContact O-N 3.09Å; L126-L130 HydrophobicContact CG-CD1 4.27Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CD1 3.45Å; L126-L130 PolarHBondContact O-N 2.91Å; L126-L130 VanDerWaalsContact O-N 3.12Å |
| 127 | V | 66.1 | Low | 58.8 | Low | 74 Ų | 74 | 101.9 Ų | 101.9 | 45% | 0.448 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.7 | -40.5 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 112 | L123 L124 L130 L131 | L123-V127 VanDerWaalsContact O-CG2 3.29Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 2.83Å; L124-V127 PolarHBondContact O-N 3.28Å; V127-L130 WeakPolarHBondContact O-CB 3.38Å; V127-L130 PolarHBondContact O-N 3.35Å; V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 VanDerWaalsContact O-CD1 3.26Å; V127-L131 WeakPolarHBondContact O-CD1 3.34Å; V127-L131 PolarHBondContact O-N 2.73Å |
| 128 | L | 64.6 | Low | 59.3 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.1 | -44.6 | 176.5 | -84.1 | 156.2 | 0 | 0 | 0 | 112.5 | L124 L130 L131 D132 | L124-L128 HydrophobicContact CG-CD1 4.31Å; L124-L128 PolarHBondContact O-N 2.99Å; L128-L130 VanDerWaalsContact C-N 3.29Å; L128-L130 PolarHBondContact O-N 2.93Å; L128-L131 PolarHBondContact O-N 3.44Å; L128-D132 PolarHBondContact O-N 3.38Å; L128-D132 VanDerWaalsContact O-N 3.11Å |
| 129 | L | 63.7 | Low | 59.9 | Low | 115 Ų | 115 | 102.8 Ų | 102.8 | 60% | 0.602 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.6 | -34.4 | 176.3 | -77.3 | 162.8 | 0 | 0 | 0 | 112.8 | M125 L126 S133 | M125-L129 WeakPolarHBondContact O-CG 3.36Å; M125-L129 PolarHBondContact O-N 3.42Å; L126-L129 PolarHBondContact O-N 3.09Å; L129-S133 PolarHBondContact O-N 3.42Å; L129-S133 PolarHBondContact O-OG 2.99Å |
| 130 | L | 61.8 | Low | 60.1 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.7 | -40.8 | 174.6 | -91.4 | 150 | 0 | 0 | 0 | 112 | V6 L126 V127 L128 I134 | V6-L130 HydrophobicContact CG1-CD2 3.35Å; L126-L130 HydrophobicContact CG-CD1 4.27Å; L126-L130 WeakPolarHBondContact O-CB 3.43Å; L126-L130 WeakPolarHBondContact O-CD1 3.45Å; L126-L130 PolarHBondContact O-N 2.91Å; L126-L130 VanDerWaalsContact O-N 3.12Å; V127-L130 WeakPolarHBondContact O-CB 3.38Å; V127-L130 PolarHBondContact O-N 3.35Å; L128-L130 VanDerWaalsContact C-N 3.29Å; L128-L130 PolarHBondContact O-N 2.93Å; L130-I134 VanDerWaalsContact O-CD1 3.29Å; L130-I134 WeakPolarHBondContact O-CD1 3.42Å; L130-I134 VanDerWaalsContact O-CG1 3.23Å; L130-I134 WeakPolarHBondContact O-CG1 3.24Å; L130-I134 PolarHBondContact O-N 3.34Å |
| 131 | L | 62.1 | Low | 60.3 | Low | 109 Ų | 109 | 104.6 Ų | 104.6 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -44 | 177.7 | -98.2 | 79.6 | 0 | 0 | 0 | 112.6 | V127 L128 S133 I134 L135 | V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 VanDerWaalsContact O-CD1 3.26Å; V127-L131 WeakPolarHBondContact O-CD1 3.34Å; V127-L131 PolarHBondContact O-N 2.73Å; L128-L131 PolarHBondContact O-N 3.44Å; L131-S133 PolarHBondContact O-N 3.39Å; L131-I134 PolarHBondContact O-N 2.9Å; L131-I134 VanDerWaalsContact O-N 3.13Å; L131-L135 PolarHBondContact O-N 2.98Å; L131-L135 VanDerWaalsContact O-N 3.16Å |
| 132 | D | 62.6 | Low | 60.6 | Low | 111 Ų | 111 | 103.7 Ų | 103.7 | 59% | 0.594 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.3 | -38.1 | 178.5 | -120.2 | -66.6 | 0 | 0 | 0 | 111.8 | L128 I134 L135 C136 | L128-D132 PolarHBondContact O-N 3.38Å; L128-D132 VanDerWaalsContact O-N 3.11Å; D132-I134 VanDerWaalsContact C-N 3.3Å; D132-I134 PolarHBondContact O-N 3.43Å; D132-L135 PolarHBondContact O-N 3.06Å; D132-C136 PolarHBondContact O-N 3.39Å |
| 133 | S | 57.3 | Low | 60.6 | Low | 56 Ų | 56 | 103.7 Ų | 103.7 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.9 | -12.9 | -180 | -58.1 | 0 | 0 | 0 | 0 | 114.5 | L129 L131 | L129-S133 PolarHBondContact O-N 3.42Å; L129-S133 PolarHBondContact O-OG 2.99Å; L131-S133 PolarHBondContact O-N 3.39Å |
| 134 | I | 59.3 | Low | 60.8 | Low | 102 Ų | 102 | 102 Ų | 102 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -96.3 | -27 | 176.4 | -64.2 | 164.5 | 0 | 0 | 0 | 110.7 | L130 L131 D132 | L130-I134 VanDerWaalsContact O-CD1 3.29Å; L130-I134 WeakPolarHBondContact O-CD1 3.42Å; L130-I134 VanDerWaalsContact O-CG1 3.23Å; L130-I134 WeakPolarHBondContact O-CG1 3.24Å; L130-I134 PolarHBondContact O-N 3.34Å; L131-I134 PolarHBondContact O-N 2.9Å; L131-I134 VanDerWaalsContact O-N 3.13Å; D132-I134 VanDerWaalsContact C-N 3.3Å; D132-I134 PolarHBondContact O-N 3.43Å |
| 135 | L | 59.5 | Low | 60.8 | Low | 160 Ų | 160 | 101.6 Ų | 101.6 | 84% | 0.838 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -92 | -13.7 | -176.4 | -154.5 | 62.5 | 0 | 0 | 0 | 114 | L131 D132 | L131-L135 PolarHBondContact O-N 2.98Å; L131-L135 VanDerWaalsContact O-N 3.16Å; D132-L135 PolarHBondContact O-N 3.06Å |
| 136 | C | 48.8 | Very low | 60.8 | Low | 117 Ų | 117 | 100.6 Ų | 100.6 | 79% | 0.791 | 56% | 0.558 | S | S | * | * | trans | -112.9 | 0 | 171.1 | -74.7 | 0 | 0 | 0 | 0 | 114.1 | R2 D132 | R2-C136 PolarHBondContact NE-OXT 3.31Å; R2-C136 VanDerWaalsContact NE-OXT 3.13Å; D132-C136 PolarHBondContact O-N 3.39Å |
Retrieved 136 of 136 residues in 119.6 ms
(Link to these results)