| 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 | 40.9 | Very low | 58 | Low | 216 Ų | 216 | 109 Ų | 109 | 100% | 1.064 | 60% | 0.603 | S | S | * | * | 0 | 111.6 | 0 | -92.4 | 172.7 | 66.1 | 0 | 0 | 106.8 | |||||
| 2 | D | 56.8 | Low | 57.2 | Low | 130 Ų | 130 | 108.4 Ų | 108.4 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | trans | -73.7 | 139.1 | -171.4 | -123.3 | -35.5 | 0 | 0 | 0 | 111.4 | G4 H5 | D2-G4 PolarHBondContact O-N 3.16Å; D2-H5 PolarHBondContact O-N 2.98Å | ||
| 3 | I | 61.4 | Low | 56.4 | Low | 134 Ų | 134 | 107.9 Ų | 107.9 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -57.1 | -25.8 | -175.7 | -67.7 | 164.1 | 0 | 0 | 0 | 111.4 | H5 L6 V7 | I3-H5 VanDerWaalsContact C-N 3.35Å; I3-H5 PolarHBondContact O-N 3.08Å; I3-L6 PolarHBondContact O-N 2.74Å; I3-V7 PolarHBondContact O-N 3.44Å |
| 4 | G | 63.1 | Low | 55.6 | Low | 53 Ų | 53 | 104.9 Ų | 104.9 | 55% | 0.546 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.2 | -31.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | D2 S8 | D2-G4 PolarHBondContact O-N 3.16Å; G4-S8 PolarHBondContact O-N 3.33Å |
| 5 | H | 56.9 | Low | 54.7 | Low | 141 Ų | 141 | 106.8 Ų | 106.8 | 65% | 0.653 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75.4 | -30.5 | 177.9 | -93.7 | -75.2 | 0 | 0 | 0 | 112.7 | D2 I3 L9 | D2-H5 PolarHBondContact O-N 2.98Å; I3-H5 VanDerWaalsContact C-N 3.35Å; I3-H5 PolarHBondContact O-N 3.08Å; H5-L9 WeakPolarHBondContact O-CB 3.39Å; H5-L9 PolarHBondContact O-N 3.34Å; H5-L9 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 54.9 | Low | 53.4 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 56% | 0.555 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.3 | -40.2 | 176.2 | -105.7 | 147.6 | 0 | 0 | 0 | 111.5 | I3 L9 V10 | I3-L6 PolarHBondContact O-N 2.74Å; L6-L9 PolarHBondContact O-N 3.36Å; L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.26Å |
| 7 | V | 66.4 | Low | 52.5 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.8 | -39.8 | 177.2 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | I3 L9 V10 I11 | I3-V7 PolarHBondContact O-N 3.44Å; V7-L9 PolarHBondContact O-N 2.82Å; V7-V10 PolarHBondContact O-N 2.86Å; V7-I11 HydrophobicContact CG1-CD1 3.86Å; V7-I11 WeakPolarHBondContact O-CB 3.07Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.23Å; V7-I11 PolarHBondContact O-N 3.16Å |
| 8 | S | 60.8 | Low | 51.5 | Low | 62 Ų | 62 | 113 Ų | 113 | 43% | 0.434 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.3 | -36.7 | 176 | -169.2 | 0 | 0 | 0 | 0 | 112.7 | G4 L12 | G4-S8 PolarHBondContact O-N 3.33Å; S8-L12 WeakPolarHBondContact O-CB 3.22Å; S8-L12 WeakPolarHBondContact O-CG 3.22Å; S8-L12 PolarHBondContact O-N 2.76Å |
| 9 | L | 57.6 | Low | 50.5 | Low | 106 Ų | 106 | 113.9 Ų | 113.9 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.4 | -38.3 | 175 | -122.6 | 124.3 | 0 | 0 | 0 | 112.5 | H5 L6 V7 L12 L13 | H5-L9 WeakPolarHBondContact O-CB 3.39Å; H5-L9 PolarHBondContact O-N 3.34Å; H5-L9 VanDerWaalsContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.36Å; V7-L9 PolarHBondContact O-N 2.82Å; L9-L12 PolarHBondContact O-N 3.37Å; L9-L13 HydrophobicContact CD2-CD1 4.13Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 2.75Å |
| 10 | V | 61.1 | Low | 49.9 | Very low | 90 Ų | 90 | 111.7 Ų | 111.7 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.9 | -38.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L6 V7 L13 S14 | L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.26Å; V7-V10 PolarHBondContact O-N 2.86Å; V10-L13 PolarHBondContact O-N 2.79Å; V10-S14 WeakPolarHBondContact O-CB 3.24Å; V10-S14 PolarHBondContact O-N 2.85Å; V10-S14 PolarHBondContact O-OG 2.83Å |
| 11 | I | 57.8 | Low | 49.4 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 42% | 0.415 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.7 | -44.9 | 174.4 | -67.9 | 170.4 | 0 | 0 | 0 | 110.4 | V7 L13 S14 F15 | V7-I11 HydrophobicContact CG1-CD1 3.86Å; V7-I11 WeakPolarHBondContact O-CB 3.07Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.23Å; V7-I11 PolarHBondContact O-N 3.16Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.39Å; I11-S14 WeakPolarHBondContact CA-OG 3.38Å; I11-S14 PolarHBondContact O-N 3.27Å; I11-S14 PolarHBondContact O-OG 2.84Å; I11-F15 HydrophobicContact CG2-CD2 3.54Å; I11-F15 HydrophobicContact CG2-CE2 3.62Å; I11-F15 VanDerWaalsContact O-CD2 3.29Å; I11-F15 WeakPolarHBondContact O-CD2 3.33Å; I11-F15 PolarHBondContact O-N 3.27Å |
| 12 | L | 49.3 | Very low | 49.3 | Very low | 102 Ų | 102 | 111 Ų | 111 | 53% | 0.534 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.8 | -31.2 | 175.8 | -78.2 | 163.4 | 0 | 0 | 0 | 113.2 | S8 L9 N16 | S8-L12 WeakPolarHBondContact O-CB 3.22Å; S8-L12 WeakPolarHBondContact O-CG 3.22Å; S8-L12 PolarHBondContact O-N 2.76Å; L9-L12 PolarHBondContact O-N 3.37Å; L12-N16 WeakPolarHBondContact O-CB 3.2Å; L12-N16 PolarHBondContact O-N 2.92Å; L12-N16 VanDerWaalsContact O-N 3.1Å; L12-N16 PolarHBondContact O-ND2 2.9Å |
| 13 | L | 46.6 | Very low | 48.7 | Very low | 102 Ų | 102 | 108.9 Ų | 108.9 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.9 | -31.6 | 173.5 | -73.8 | 170.1 | 0 | 0 | 0 | 112.4 | L9 V10 I11 F17 | L9-L13 HydrophobicContact CD2-CD1 4.13Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 2.75Å; V10-L13 PolarHBondContact O-N 2.79Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.39Å; L13-F17 WeakPolarHBondContact O-CD2 3.44Å; L13-F17 PolarHBondContact O-N 2.82Å |
| 14 | S | 44.5 | Very low | 48.2 | Very low | 66 Ų | 66 | 107.2 Ų | 107.2 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -80.5 | -30.4 | 176 | 38.7 | 0 | 0 | 0 | 0 | 113.2 | V10 I11 F17 | V10-S14 WeakPolarHBondContact O-CB 3.24Å; V10-S14 PolarHBondContact O-N 2.85Å; V10-S14 PolarHBondContact O-OG 2.83Å; I11-S14 WeakPolarHBondContact CA-OG 3.38Å; I11-S14 PolarHBondContact O-N 3.27Å; I11-S14 PolarHBondContact O-OG 2.84Å; S14-F17 PolarHBondContact O-N 3.45Å |
| 15 | F | 41.9 | Very low | 47.9 | Very low | 133 Ų | 133 | 105.1 Ų | 105.1 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.1 | -30.8 | 169 | -85.2 | -78.2 | 0 | 0 | 0 | 112.8 | I11 F17 Q18 | I11-F15 HydrophobicContact CG2-CD2 3.54Å; I11-F15 HydrophobicContact CG2-CE2 3.62Å; I11-F15 VanDerWaalsContact O-CD2 3.29Å; I11-F15 WeakPolarHBondContact O-CD2 3.33Å; I11-F15 PolarHBondContact O-N 3.27Å; F15-F17 VanDerWaalsContact C-N 3.31Å; F15-F17 PolarHBondContact O-N 3.29Å; F15-Q18 PolarHBondContact O-N 2.8Å |
| 16 | N | 33.8 | Very low | 48.9 | Very low | 104 Ų | 104 | 102.5 Ų | 102.5 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.2 | -18.1 | 173.9 | -85.3 | -52.5 | 0 | 0 | 0 | 113.9 | L12 Q18 N19 | L12-N16 WeakPolarHBondContact O-CB 3.2Å; L12-N16 PolarHBondContact O-N 2.92Å; L12-N16 VanDerWaalsContact O-N 3.1Å; L12-N16 PolarHBondContact O-ND2 2.9Å; N16-Q18 VanDerWaalsContact C-N 3.32Å; N16-N19 PolarHBondContact O-N 3.37Å |
| 17 | F | 38.4 | Very low | 50.7 | Low | 168 Ų | 168 | 97.4 Ų | 97.4 | 74% | 0.737 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -78.4 | -13.2 | 174.5 | -106.1 | -85.2 | 0 | 0 | 0 | 113.9 | L13 S14 F15 | L13-F17 WeakPolarHBondContact O-CD2 3.44Å; L13-F17 PolarHBondContact O-N 2.82Å; S14-F17 PolarHBondContact O-N 3.45Å; F15-F17 VanDerWaalsContact C-N 3.31Å; F15-F17 PolarHBondContact O-N 3.29Å |
| 18 | Q | 35.6 | Very low | 51.9 | Low | 160 Ų | 160 | 94.6 Ų | 94.6 | 75% | 0.748 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -87.2 | -8.9 | 170.3 | -78.6 | -179.6 | -28.3 | 0 | 0 | 113.5 | F15 N16 | F15-Q18 PolarHBondContact O-N 2.8Å; N16-Q18 VanDerWaalsContact C-N 3.32Å |
| 19 | N | 32.3 | Very low | 53.4 | Low | 131 Ų | 131 | 92 Ų | 92 | 70% | 0.701 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -107.1 | 28.9 | 166.2 | -71.4 | -31 | 0 | 0 | 0 | 111.2 | N16 L21 | N16-N19 PolarHBondContact O-N 3.37Å; N19-L21 PolarHBondContact O-N 2.91Å |
| 20 | A | 37.1 | Very low | 55 | Low | 69 Ų | 69 | 90 Ų | 90 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -58.1 | 113.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q22 | A20-Q22 PolarHBondContact O-N 3.27Š|
| 21 | L | 39.5 | Very low | 56.5 | Low | 144 Ų | 144 | 85.8 Ų | 85.8 | 75% | 0.754 | 44% | 0.442 | S | S | * | . | trans | -12.3 | 120.2 | 172.7 | -102.6 | 71.3 | 0 | 0 | 0 | 111.5 | N19 V23 | N19-L21 PolarHBondContact O-N 2.91Å; L21-V23 HydrophobicContact CB-CG2 4.27Å; L21-V23 WeakPolarHBondContact O-CG2 3.25Å; L21-V23 PolarHBondContact O-N 3.48Å | ||
| 22 | Q | 40.4 | Very low | 58.2 | Low | 170 Ų | 170 | 83.2 Ų | 83.2 | 79% | 0.794 | 43% | 0.428 | S | S | * | . | trans | -53.1 | 94.3 | 156.6 | -178.4 | 171.3 | 2.5 | 0 | 0 | 106.2 | A20 D24 | A20-Q22 PolarHBondContact O-N 3.27Å; Q22-D24 PolarHBondContact O-N 2.88Å; Q22-D24 VanDerWaalsContact O-N 3.17Å | ||
| 23 | V | 42.8 | Very low | 60.2 | Low | 85 Ų | 85 | 78.4 Ų | 78.4 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | trans | -79.4 | 108.4 | -178 | -156.6 | 0 | 0 | 0 | 0 | 105 | L21 Y26 | L21-V23 HydrophobicContact CB-CG2 4.27Å; L21-V23 WeakPolarHBondContact O-CG2 3.25Å; L21-V23 PolarHBondContact O-N 3.48Å; V23-Y26 HydrophobicContact CB-CE2 3.96Å; V23-Y26 HydrophobicContact CG1-CD2 4.3Å; V23-Y26 HydrophobicContact CG1-CE2 3.2Å; V23-Y26 VanDerWaalsContact CG1-CZ 3.45Å; V23-Y26 WeakPolarHBondContact CG1-OH 3.22Å | ||
| 24 | D | 50.4 | Low | 62.3 | Low | 99 Ų | 99 | 75.2 Ų | 75.2 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | trans | -50.8 | 142.3 | -176 | -70.2 | -42.1 | 0 | 0 | 0 | 111.6 | Q22 Y26 N106 | Q22-D24 PolarHBondContact O-N 2.88Å; Q22-D24 VanDerWaalsContact O-N 3.17Å; D24-Y26 PolarHBondContact O-N 3.35Å; D24-N106 CarbonylContact C-O 3.53Å | ||
| 25 | G | 57.4 | Low | 64.6 | Low | 9 Ų | 9 | 74.2 Ų | 74.2 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | trans | -43.9 | 86.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A27 C191 | G25-A27 PolarHBondContact O-N 3.48Å; G25-C191 WeakPolarHBondContact CA-O 3.15Å | ||
| 26 | Y | 79.4 | Confident | 67 | Low | 85 Ų | 85 | 67.9 Ų | 67.9 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | trans | -56 | 132 | 170.7 | -67 | -78.8 | 0 | 0 | 0 | 110.4 | V23 D24 I104 V105 N106 N183 | V23-Y26 HydrophobicContact CB-CE2 3.96Å; V23-Y26 HydrophobicContact CG1-CD2 4.3Å; V23-Y26 HydrophobicContact CG1-CE2 3.2Å; V23-Y26 VanDerWaalsContact CG1-CZ 3.45Å; V23-Y26 WeakPolarHBondContact CG1-OH 3.22Å; D24-Y26 PolarHBondContact O-N 3.35Å; Y26-I104 HydrophobicContact CD1-CG2 4.18Å; Y26-V105 WeakPolarHBondContact CA-O 3.49Å; Y26-N106 HydrophobicContact CD1-CB 4.46Å; Y26-N106 HydrophobicContact CE1-CB 4.31Å; Y26-N106 WeakPolarHBondContact CE1-OD1 3.26Å; Y26-N183 WeakPolarHBondContact CB-ND2 3.24Å; Y26-N183 VanDerWaalsContact O-CB 3.23Å; Y26-N183 WeakPolarHBondContact O-CB 3.19Å; Y26-N183 PolarHBondContact O-N 2.85Å | ||
| 27 | A | 91.1 | Very high | 69.8 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G25 I104 V105 L108 V181 C191 | G25-A27 PolarHBondContact O-N 3.48Å; A27-I104 CarbonylContact O-C 3.59Å; A27-I104 WeakPolarHBondContact O-CA 3.45Å; A27-V105 HydrophobicContact CB-CG2 4.13Å; A27-V105 PolarHBondContact N-O 2.86Å; A27-V105 WeakPolarHBondContact O-CG2 3.49Å; A27-V105 PolarHBondContact O-N 3.45Å; A27-L108 HydrophobicContact CB-CD1 3.98Å; A27-L108 HydrophobicContact CB-CD2 4.47Å; A27-V181 CarbonylContact C-O 3.52Å; A27-V181 WeakPolarHBondContact CA-O 3.39Å; A27-C191 HydrophobicContact CB-CB 4.32Å |
| 28 | T | 91.6 | Very high | 72.2 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115 | 169.6 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | Y30 R103 A180 V181 | T28-Y30 HydrophobicContact CG2-CD2 4.16Å; T28-Y30 HydrophobicContact CG2-CE1 4.15Å; T28-Y30 HydrophobicContact CG2-CE2 3.5Å; T28-Y30 VanDerWaalsContact CG2-CZ 3.49Å; T28-Y30 VanDerWaalsContact O-CD2 3.31Å; T28-Y30 WeakPolarHBondContact O-CD2 3.29Å; T28-Y30 WeakPolarHBondContact O-CE2 3.49Å; T28-R103 CarbonylContact C-O 3.58Å; T28-R103 WeakPolarHBondContact CA-O 3.28Å; T28-A180 CarbonylContact O-C 3.57Å; T28-A180 WeakPolarHBondContact O-CA 3.46Å; T28-V181 PolarHBondContact N-O 3.28Å; T28-V181 PolarHBondContact O-N 3.45Å |
| 29 | L | 92.2 | Very high | 74.6 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 132.3 | 171.8 | -174.3 | 71.6 | 0 | 0 | 0 | 109 | I62 I72 S102 R103 L112 Y142 V178 A180 | L29-I62 HydrophobicContact CD2-CG2 4.23Å; L29-I72 HydrophobicContact CD2-CG2 3.92Å; L29-S102 CarbonylContact O-C 3.55Å; L29-S102 VanDerWaalsContact O-CA 3.23Å; L29-S102 WeakPolarHBondContact O-CA 3.42Å; L29-R103 PolarHBondContact N-O 2.88Å; L29-R103 PolarHBondContact O-N 3.02Å; L29-L112 HydrophobicContact CD1-CD1 4.07Å; L29-L112 HydrophobicContact CD2-CD1 4.03Å; L29-L112 HydrophobicContact CD2-CD2 4.27Å; L29-Y142 HydrophobicContact CD1-CD2 4.25Å; L29-Y142 HydrophobicContact CD1-CE2 4.12Å; L29-V178 HydrophobicContact CD1-CG1 3.95Å; L29-A180 HydrophobicContact CD1-CB 4.18Å |
| 30 | Y | 92.4 | Very high | 76.6 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.6 | 177.8 | -66 | -92.7 | 0 | 0 | 0 | 110.9 | T28 P100 L101 V178 W179 V181 | T28-Y30 HydrophobicContact CG2-CD2 4.16Å; T28-Y30 HydrophobicContact CG2-CE1 4.15Å; T28-Y30 HydrophobicContact CG2-CE2 3.5Å; T28-Y30 VanDerWaalsContact CG2-CZ 3.49Å; T28-Y30 VanDerWaalsContact O-CD2 3.31Å; T28-Y30 WeakPolarHBondContact O-CD2 3.29Å; T28-Y30 WeakPolarHBondContact O-CE2 3.49Å; Y30-P100 HydrophobicContact CD1-CB 4.24Å; Y30-P100 HydrophobicContact CD1-CG 4.02Å; Y30-L101 CarbonylContact C-O 3.58Å; Y30-L101 VanDerWaalsContact CA-O 3.22Å; Y30-L101 WeakPolarHBondContact CA-O 3.49Å; Y30-V178 WeakPolarHBondContact O-CA 3.32Å; Y30-V178 WeakPolarHBondContact O-CG1 3.27Å; Y30-W179 HydrophobicContact CD1-CZ2 4.19Å; Y30-W179 AromaticContact CD2-CD1 3.99Å; Y30-W179 AromaticContact CD2-NE1 3.49Å; Y30-W179 AromaticContact CG-CE2 3.75Å; Y30-W179 AromaticContact CG-CZ2 3.84Å; Y30-W179 HydrophobicContact CG-CZ2 3.84Å; Y30-W179 AromaticContact CG-NE1 3.7Å; Y30-W179 PolarHBondContact N-O 3.41Å; Y30-W179 PolarHBondContact O-N 3.05Å; Y30-W179 VanDerWaalsContact O-N 3.14Å; Y30-V181 HydrophobicContact CD2-CG2 4.02Å; Y30-V181 HydrophobicContact CE2-CB 4.01Å; Y30-V181 HydrophobicContact CE2-CG2 3.66Å |
| 31 | L | 92.5 | Very high | 77.9 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.4 | 169 | -178.2 | 150.8 | 0 | 0 | 0 | 109.3 | F33 L60 I62 P100 L101 M114 A177 V178 | L31-F33 HydrophobicContact CD2-CD2 3.59Å; L31-F33 HydrophobicContact CD2-CE2 3.31Å; L31-F33 HydrophobicContact CD2-CG 4.41Å; L31-F33 HydrophobicContact CD2-CZ 3.94Å; L31-L60 HydrophobicContact CD1-CD1 3.92Å; L31-L60 HydrophobicContact CD1-CD2 3.97Å; L31-L60 HydrophobicContact CD2-CD2 4.2Å; L31-I62 HydrophobicContact CD1-CD1 3.73Å; L31-P100 CarbonylContact O-C 3.46Å; L31-P100 VanDerWaalsContact O-CA 3.22Å; L31-P100 WeakPolarHBondContact O-CA 3.25Å; L31-P100 WeakPolarHBondContact O-CB 3.27Å; L31-L101 HydrophobicContact CD2-CD1 4.34Å; L31-L101 PolarHBondContact N-O 3.44Å; L31-L101 PolarHBondContact O-N 3.08Å; L31-M114 HydrophobicContact CD1-SD 4.35Å; L31-A177 CarbonylContact C-O 3.57Å; L31-A177 WeakPolarHBondContact CA-O 3.13Å; L31-V178 HydrophobicContact CB-CG2 4.39Å; L31-V178 HydrophobicContact CD1-CG2 3.97Å; L31-V178 HydrophobicContact CG-CG2 4.06Å |
| 32 | K | 91.9 | Very high | 79 | Confident | 27 Ų | 27 | 42 Ų | 42 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.2 | 175.8 | -169 | 170.1 | -179.1 | 172.3 | 0 | 110.6 | N99 P100 Y158 V176 A177 W179 | K32-N99 WeakPolarHBondContact CA-OD1 3.41Å; K32-P100 HydrophobicContact CB-CB 4.05Å; K32-Y158 HydrophobicContact CD-CE2 4.43Å; K32-Y158 PolarHBondContact NZ-OH 3.44Å; K32-V176 WeakPolarHBondContact O-CA 3.22Å; K32-A177 HydrophobicContact CB-CB 4.37Å; K32-A177 PolarHBondContact N-O 2.88Å; K32-A177 PolarHBondContact O-N 3.45Å; K32-W179 HydrophobicContact CB-CH2 3.99Å; K32-W179 HydrophobicContact CB-CZ3 3.76Å; K32-W179 HydrophobicContact CD-CH2 4.48Å |
| 33 | F | 92 | Very high | 79.9 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.6 | 161.6 | -67.2 | -99.6 | 0 | 0 | 0 | 107.6 | L31 F58 F90 I94 N99 L101 M174 | L31-F33 HydrophobicContact CD2-CD2 3.59Å; L31-F33 HydrophobicContact CD2-CE2 3.31Å; L31-F33 HydrophobicContact CD2-CG 4.41Å; L31-F33 HydrophobicContact CD2-CZ 3.94Å; F33-F58 HydrophobicContact CE1-CB 4.44Å; F33-F58 HydrophobicContact CE1-CD2 4.09Å; F33-F58 HydrophobicContact CE1-CG 4.12Å; F33-F90 HydrophobicContact CB-CB 4.16Å; F33-F90 HydrophobicContact CB-CD1 4.49Å; F33-F90 HydrophobicContact CB-CD2 3.53Å; F33-F90 HydrophobicContact CB-CE2 3.99Å; F33-F90 HydrophobicContact CB-CG 3.81Å; F33-F90 HydrophobicContact CD1-CE2 4.41Å; F33-F90 WeakPolarHBondContact O-CB 3.43Å; F33-I94 HydrophobicContact CB-CD1 4.07Å; F33-I94 HydrophobicContact CD1-CD1 4.47Å; F33-I94 HydrophobicContact CD2-CD1 3.78Å; F33-I94 HydrophobicContact CE2-CD1 4.36Å; F33-I94 HydrophobicContact CG-CD1 3.87Å; F33-N99 PolarHBondContact N-OD1 2.87Å; F33-N99 PolarHBondContact O-ND2 3.05Å; F33-L101 HydrophobicContact CE2-CD1 3.92Å; F33-M174 HydrophobicContact CD1-CE 3.13Å; F33-M174 HydrophobicContact CE1-CE 3.17Å; F33-M174 HydrophobicContact CG-CE 4.34Å; F33-M174 HydrophobicContact CZ-CE 4.41Å |
| 34 | V | 91.8 | Very high | 81 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -60.2 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | F90 Y158 H160 Y175 | V34-F90 PolarHBondContact O-N 3.21Å; V34-Y158 HydrophobicContact CG2-CE2 4.49Å; V34-H160 HydrophobicContact CG2-CB 4.18Å; V34-Y175 WeakPolarHBondContact CB-O 3.08Å; V34-Y175 PolarHBondContact N-O 2.93Å |
| 35 | N | 92.8 | Very high | 82.1 | Confident | 44 Ų | 44 | 30.4 Ų | 30.4 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 168 | 172.4 | 62.6 | 20.9 | 0 | 0 | 0 | 110.8 | I88 Y175 | N35-I88 CarbonylContact C-O 3.49Å; N35-I88 WeakPolarHBondContact CA-O 3.2Å; N35-I88 WeakPolarHBondContact CB-O 3.47Å; N35-Y175 PolarHBondContact O-N 3.18Å; N35-Y175 WeakPolarHBondContact OD1-CB 3.31Å; N35-Y175 WeakPolarHBondContact OD1-CD2 3.38Å |
| 36 | I | 92.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 142.1 | 170.1 | -174.1 | 168.5 | 0 | 0 | 0 | 109.3 | V38 L56 F58 S87 I88 F90 V118 I172 T173 M174 | I36-V38 HydrophobicContact CG1-CG2 4.45Å; I36-L56 HydrophobicContact CD1-CD1 4.36Å; I36-L56 HydrophobicContact CG2-CD1 4.38Å; I36-F58 HydrophobicContact CD1-CE1 3.67Å; I36-F58 HydrophobicContact CD1-CZ 4.06Å; I36-F58 HydrophobicContact CG2-CZ 4.26Å; I36-S87 WeakPolarHBondContact O-CA 3.27Å; I36-I88 HydrophobicContact CG2-CB 3.86Å; I36-I88 HydrophobicContact CG2-CD1 3.99Å; I36-I88 HydrophobicContact CG2-CG1 4.21Å; I36-I88 PolarHBondContact N-O 3.1Å; I36-I88 PolarHBondContact O-N 3.5Å; I36-F90 HydrophobicContact CB-CE2 4.19Å; I36-F90 HydrophobicContact CG2-CE2 3.72Å; I36-F90 HydrophobicContact CG2-CZ 3.66Å; I36-V118 HydrophobicContact CD1-CG1 4.16Å; I36-V118 HydrophobicContact CD1-CG2 4.28Å; I36-I172 HydrophobicContact CD1-CG2 3.87Å; I36-I172 HydrophobicContact CG1-CG2 3.99Å; I36-T173 CarbonylContact C-O 3.57Å; I36-T173 WeakPolarHBondContact CA-O 3.32Å; I36-M174 HydrophobicContact CB-CG 4.39Å; I36-M174 HydrophobicContact CD1-CG 4.5Å; I36-M174 HydrophobicContact CG1-CB 4.32Å; I36-M174 HydrophobicContact CG1-CG 4.47Å |
| 37 | T | 91.7 | Very high | 81.5 | Confident | 51 Ų | 51 | 30.7 Ų | 30.7 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.3 | 171 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | N86 I172 T173 | T37-N86 CarbonylContact C-O 3.38Å; T37-N86 WeakPolarHBondContact CA-O 3.44Å; T37-I172 WeakPolarHBondContact O-CA 3.4Å; T37-T173 PolarHBondContact N-O 2.94Å; T37-T173 PolarHBondContact O-N 2.86Å |
| 38 | V | 88.3 | Confident | 79.8 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.1 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | I36 L56 N86 I167 I172 | I36-V38 HydrophobicContact CG1-CG2 4.45Å; V38-L56 HydrophobicContact CG2-CD1 3.75Å; V38-L56 HydrophobicContact CG2-CD2 4.37Å; V38-N86 HydrophobicContact CB-CB 4.43Å; V38-N86 PolarHBondContact N-O 3.38Å; V38-N86 WeakPolarHBondContact O-CB 3.5Å; V38-I167 HydrophobicContact CG1-CD1 4.41Å; V38-I172 HydrophobicContact CB-CG1 4.44Å; V38-I172 HydrophobicContact CG1-CD1 4.43Å; V38-I172 HydrophobicContact CG1-CG1 4.11Å; V38-I172 HydrophobicContact CG2-CD1 4.24Å; V38-I172 HydrophobicContact CG2-CG1 4.06Å; V38-I172 HydrophobicContact CG2-CG2 4.24Å |
| 39 | S | 86.1 | Confident | 78.3 | Confident | 56 Ų | 56 | 44 Ų | 44 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 105.6 | 166.2 | -174.8 | 0 | 0 | 0 | 0 | 106.5 | G170 Y171 | S39-G170 CarbonylContact O-C 3.3Å; S39-G170 WeakPolarHBondContact O-CA 3.38Å; S39-Y171 PolarHBondContact N-O 3.07Å; S39-Y171 PolarHBondContact O-N 2.83Å |
| 40 | S | 74.3 | Confident | 77 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.7 | 174.1 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | S42 | S40-S42 PolarHBondContact OG-N 3.26Å; S40-S42 VanDerWaalsContact OG-N 3.15Å; S40-S42 PolarHBondContact OG-O 2.83Å; S40-S42 PolarHBondContact OG-OG 3.44Å; S40-S42 VanDerWaalsContact OG-OG 3.07Å |
| 41 | S | 65.5 | Low | 75.7 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 57% | 0.573 | 29% | 0.286 | S | S | * | . | trans | -111.9 | 11.2 | 169.2 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | Q169 | S41-Q169 PolarHBondContact N-O 3.31Å; S41-Q169 WeakPolarHBondContact OG-CB 3.49Å; S41-Q169 PolarHBondContact OG-O 2.68Å | ||
| 42 | S | 61.4 | Low | 74.6 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -121.5 | 152.2 | -169.4 | 70.7 | 0 | 0 | 0 | 0 | 112.3 | S40 H44 T168 | S40-S42 PolarHBondContact OG-N 3.26Å; S40-S42 VanDerWaalsContact OG-N 3.15Å; S40-S42 PolarHBondContact OG-O 2.83Å; S40-S42 PolarHBondContact OG-OG 3.44Å; S40-S42 VanDerWaalsContact OG-OG 3.07Å; S42-H44 PolarHBondContact O-N 3.19Å; S42-T168 PolarHBondContact OG-O 3.13Å |
| 43 | G | 59.9 | Low | 73.9 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -71.6 | 26.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | N46 | G43-N46 VanDerWaalsContact C-CG 3.45Å; G43-N46 WeakPolarHBondContact CA-ND2 3.29Å; G43-N46 WeakPolarHBondContact CA-OD1 3.35Å; G43-N46 VanDerWaalsContact O-CB 3.25Å; G43-N46 WeakPolarHBondContact O-CB 3.32Å; G43-N46 PolarHBondContact O-ND2 3.05Å |
| 44 | H | 66.2 | Low | 73.5 | Confident | 75 Ų | 75 | 58 Ų | 58 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -82.4 | -6.6 | 166.6 | -71 | -57.6 | 0 | 0 | 0 | 113.1 | S42 D120 D130 L132 T168 | S42-H44 PolarHBondContact O-N 3.19Å; H44-D120 WeakPolarHBondContact O-CB 3.44Å; H44-D130 WeakPolarHBondContact CA-OD2 3.35Å; H44-D130 IonicContact ND1-OD2 3.32Å; H44-D130 PolarHBondContact ND1-OD2 3.25Å; H44-L132 HydrophobicContact CB-CD2 3.8Å; H44-T168 PolarHBondContact CD2-OG1 3.35Å |
| 45 | C | 74 | Confident | 73.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -116.3 | 44 | 172.6 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | S47 P51 C54 D120 | C45-S47 PolarHBondContact O-N 3.34Å; C45-S47 VanDerWaalsContact O-N 3.13Å; C45-P51 CarbonylContact O-C 3.59Å; C45-P51 VanDerWaalsContact O-C 3.3Å; C45-P51 VanDerWaalsContact O-O 3.07Å; C45-C54 HydrophobicContact CB-CB 3.72Å; C45-C54 WeakPolarHBondContact CB-SG 3.48Å; C45-C54 WeakPolarHBondContact SG-CB 3.31Å; C45-C54 CovalentContact SG-SG 2.02Å; C45-C54 PolarHBondContact SG-SG 2.82Å; C45-D120 WeakPolarHBondContact CA-OD2 3.5Å |
| 46 | N | 65.9 | Low | 73 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | trans | -88.6 | 72.5 | -169.1 | -94.6 | -10.2 | 0 | 0 | 0 | 111.4 | G43 P51 | G43-N46 VanDerWaalsContact C-CG 3.45Å; G43-N46 WeakPolarHBondContact CA-ND2 3.29Å; G43-N46 WeakPolarHBondContact CA-OD1 3.35Å; G43-N46 VanDerWaalsContact O-CB 3.25Å; G43-N46 WeakPolarHBondContact O-CB 3.32Å; G43-N46 PolarHBondContact O-ND2 3.05Å; N46-P51 WeakPolarHBondContact OD1-CB 3.4Å; N46-P51 PolarHBondContact OD1-O 2.85Å | ||
| 47 | S | 56.8 | Low | 73 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 134.9 | 167.1 | -154.8 | 0 | 0 | 0 | 0 | 109.8 | C45 S49 R50 D55 | C45-S47 PolarHBondContact O-N 3.34Å; C45-S47 VanDerWaalsContact O-N 3.13Å; S47-S49 PolarHBondContact O-N 3.39Å; S47-R50 CarbonylContact O-C 3.56Å; S47-R50 PolarHBondContact O-N 3.19Å; S47-D55 WeakPolarHBondContact CB-OD2 3.22Å; S47-D55 PolarHBondContact OG-OD2 2.91Å |
| 48 | F | 56.4 | Low | 73 | Confident | 211 Ų | 211 | 52.1 Ų | 52.1 | 93% | 0.925 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -24.4 | -177.1 | -165.5 | -92.6 | 0 | 0 | 0 | 113.5 | ||
| 49 | S | 58.9 | Low | 73.3 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 62% | 0.622 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -28.2 | 178.6 | 38.5 | 0 | 0 | 0 | 0 | 115.5 | S47 | S47-S49 PolarHBondContact O-N 3.39Š|
| 50 | R | 66.1 | Low | 73.7 | Confident | 137 Ų | 137 | 52 Ų | 52 | 52% | 0.517 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -155.8 | 101.6 | -176.3 | -68.3 | -170.2 | 177.8 | 174.6 | 0.6 | 111.1 | S47 D52 Y53 | S47-R50 CarbonylContact O-C 3.56Å; S47-R50 PolarHBondContact O-N 3.19Å; R50-D52 PolarHBondContact O-N 2.74Å; R50-Y53 HydrophobicContact CB-CD2 3.76Å; R50-Y53 HydrophobicContact CB-CG 4.35Å; R50-Y53 HydrophobicContact CG-CD2 4.35Å; R50-Y53 PolarHBondContact O-N 3.4Å |
| 51 | P | 64.3 | Low | 74.7 | Confident | 76 Ų | 76 | 51.4 Ų | 51.4 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -4.6 | -169.5 | 25.9 | -33.8 | 0 | 0 | 0 | 115.9 | C45 N46 | C45-P51 CarbonylContact O-C 3.59Å; C45-P51 VanDerWaalsContact O-C 3.3Å; C45-P51 VanDerWaalsContact O-O 3.07Å; N46-P51 WeakPolarHBondContact OD1-CB 3.4Å; N46-P51 PolarHBondContact OD1-O 2.85Å |
| 52 | D | 69.3 | Low | 76 | Confident | 88 Ų | 88 | 47.6 Ų | 47.6 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -6.5 | 178.6 | -60.6 | -38.2 | 0 | 0 | 0 | 113.2 | R50 N86 | R50-D52 PolarHBondContact O-N 2.74Å; D52-N86 PolarHBondContact O-ND2 3.01Å |
| 53 | Y | 78.4 | Confident | 77.5 | Confident | 95 Ų | 95 | 46.9 Ų | 46.9 | 37% | 0.373 | 24% | 0.24 | S | C | . | . | trans | -110.1 | 121.7 | -170.9 | -75.6 | -95 | 0 | 0 | 0 | 111.5 | R50 N84 N86 | R50-Y53 HydrophobicContact CB-CD2 3.76Å; R50-Y53 HydrophobicContact CB-CG 4.35Å; R50-Y53 HydrophobicContact CG-CD2 4.35Å; R50-Y53 PolarHBondContact O-N 3.4Å; Y53-N84 WeakPolarHBondContact CD1-O 3Å; Y53-N86 WeakPolarHBondContact CA-OD1 3.22Å | ||
| 54 | C | 82.9 | Confident | 79 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -84 | 141.9 | -175.6 | -35.4 | 0 | 0 | 0 | 0 | 111.5 | C45 L56 N84 Q85 N86 D120 | C45-C54 HydrophobicContact CB-CB 3.72Å; C45-C54 WeakPolarHBondContact CB-SG 3.48Å; C45-C54 WeakPolarHBondContact SG-CB 3.31Å; C45-C54 CovalentContact SG-SG 2.02Å; C45-C54 PolarHBondContact SG-SG 2.82Å; C54-L56 HydrophobicContact CB-CD2 3.47Å; C54-L56 VanDerWaalsContact CB-CD2 3.47Å; C54-L56 HydrophobicContact CB-CG 3.8Å; C54-L56 PolarHBondContact O-N 2.83Å; C54-N84 CarbonylContact O-C 3.57Å; C54-N84 WeakPolarHBondContact O-CA 3.23Å; C54-N84 PolarHBondContact O-N 2.97Å; C54-Q85 PolarHBondContact O-N 2.92Å; C54-N86 PolarHBondContact N-OD1 3.33Å; C54-N86 PolarHBondContact SG-OD1 2.89Å; C54-D120 VanDerWaalsContact CA-OD1 3.23Å; C54-D120 WeakPolarHBondContact CA-OD1 3.43Å; C54-D120 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 55 | D | 86.2 | Confident | 79.9 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | trans | -94 | 70.7 | 169.2 | -69.2 | -45.6 | 0 | 0 | 0 | 109.4 | S47 M83 N84 D120 A121 Y123 | S47-D55 WeakPolarHBondContact CB-OD2 3.22Å; S47-D55 PolarHBondContact OG-OD2 2.91Å; D55-M83 VanDerWaalsContact OD1-C 3.29Å; D55-M83 WeakPolarHBondContact OD1-CA 3.36Å; D55-M83 VanDerWaalsContact OD1-CB 3.27Å; D55-M83 WeakPolarHBondContact OD1-CB 3.17Å; D55-N84 PolarHBondContact OD1-N 3.49Å; D55-N84 PolarHBondContact OD1-ND2 3.5Å; D55-D120 WeakPolarHBondContact CA-OD1 3.42Å; D55-D120 PolarHBondContact N-OD1 3.02Å; D55-A121 HydrophobicContact CB-CB 4.16Å; D55-A121 WeakPolarHBondContact O-CB 3.27Å; D55-A121 PolarHBondContact O-N 3.26Å; D55-Y123 HydrophobicContact CB-CE2 4.06Å | ||
| 56 | L | 88.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.3 | -166.4 | -61.3 | 178.2 | 0 | 0 | 0 | 114.4 | I36 V38 C54 F58 L82 I88 V118 W119 L132 | I36-L56 HydrophobicContact CD1-CD1 4.36Å; I36-L56 HydrophobicContact CG2-CD1 4.38Å; V38-L56 HydrophobicContact CG2-CD1 3.75Å; V38-L56 HydrophobicContact CG2-CD2 4.37Å; C54-L56 HydrophobicContact CB-CD2 3.47Å; C54-L56 VanDerWaalsContact CB-CD2 3.47Å; C54-L56 HydrophobicContact CB-CG 3.8Å; C54-L56 PolarHBondContact O-N 2.83Å; L56-F58 HydrophobicContact CB-CZ 4.49Å; L56-L82 PolarHBondContact N-O 3.23Å; L56-I88 HydrophobicContact CD1-CD1 3.99Å; L56-V118 HydrophobicContact CD2-CG1 4.01Å; L56-W119 CarbonylContact C-O 3.55Å; L56-W119 WeakPolarHBondContact CA-O 3.36Å; L56-L132 HydrophobicContact CD2-CD1 3.52Å |
| 57 | Y | 91.1 | Very high | 80.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.8 | 161.3 | 78 | -86.1 | 0 | 0 | 0 | 111.6 | K59 R76 K79 W119 A121 D129 | Y57-K59 HydrophobicContact CE2-CG 4.03Å; Y57-R76 HydrophobicContact CD2-CG 3.85Å; Y57-R76 VanDerWaalsContact CD2-NE 3.26Å; Y57-R76 VanDerWaalsContact CE1-NH2 3.27Å; Y57-R76 HydrophobicContact CE2-CG 4.11Å; Y57-R76 VanDerWaalsContact CZ-CZ 3.43Å; Y57-R76 PolarHBondContact OH-NH2 3.18Å; Y57-K79 HydrophobicContact CD1-CD 4.22Å; Y57-K79 HydrophobicContact CD1-CG 4.04Å; Y57-K79 HydrophobicContact CE1-CD 4.18Å; Y57-K79 HydrophobicContact CE1-CG 4.42Å; Y57-K79 HydrophobicContact CG-CG 4.16Å; Y57-W119 HydrophobicContact CD1-CB 3.73Å; Y57-W119 HydrophobicContact CD2-CB 4.22Å; Y57-W119 HydrophobicContact CE1-CB 3.16Å; Y57-W119 HydrophobicContact CE1-CG 4Å; Y57-W119 HydrophobicContact CE2-CB 3.65Å; Y57-W119 AromaticContact CE2-CD1 3.91Å; Y57-W119 HydrophobicContact CE2-CD2 4.5Å; Y57-W119 AromaticContact CE2-CG 3.75Å; Y57-W119 HydrophobicContact CE2-CG 3.75Å; Y57-W119 HydrophobicContact CG-CB 4.24Å; Y57-W119 AromaticContact CZ-CD2 3.9Å; Y57-W119 AromaticContact CZ-CG 3.37Å; Y57-W119 PolarHBondContact N-O 2.82Å; Y57-W119 PolarHBondContact O-N 3.17Å; Y57-W119 WeakPolarHBondContact OH-CB 3.48Å; Y57-W119 VanDerWaalsContact OH-CD2 3.25Å; Y57-W119 VanDerWaalsContact OH-CG 3.26Å; Y57-A121 HydrophobicContact CD1-CB 3.88Å; Y57-A121 HydrophobicContact CE1-CB 4.21Å; Y57-D129 HydrophobicContact CE1-CB 4.07Å; Y57-D129 WeakPolarHBondContact CE1-OD2 3.35Å; Y57-D129 PolarHBondContact OH-OD2 3.1Å |
| 58 | F | 92.8 | Very high | 81.3 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.8 | -172.9 | -48.6 | -71.2 | 0 | 0 | 0 | 111.5 | F33 I36 L56 R76 T77 L82 F90 E117 V118 | F33-F58 HydrophobicContact CE1-CB 4.44Å; F33-F58 HydrophobicContact CE1-CD2 4.09Å; F33-F58 HydrophobicContact CE1-CG 4.12Å; I36-F58 HydrophobicContact CD1-CE1 3.67Å; I36-F58 HydrophobicContact CD1-CZ 4.06Å; I36-F58 HydrophobicContact CG2-CZ 4.26Å; L56-F58 HydrophobicContact CB-CZ 4.49Å; F58-R76 CarbonylContact O-C 3.25Å; F58-R76 VanDerWaalsContact O-CA 3.26Å; F58-R76 WeakPolarHBondContact O-CA 3.29Å; F58-T77 HydrophobicContact CB-CG2 4.2Å; F58-T77 HydrophobicContact CD2-CG2 3.97Å; F58-T77 WeakPolarHBondContact CD2-OG1 3.41Å; F58-T77 PolarHBondContact N-OG1 2.95Å; F58-T77 PolarHBondContact O-N 3.42Å; F58-L82 HydrophobicContact CE2-CD1 3.64Å; F58-L82 HydrophobicContact CZ-CD1 4.27Å; F58-F90 HydrophobicContact CE2-CE1 4.07Å; F58-F90 AromaticContact CE2-CZ 3.69Å; F58-F90 HydrophobicContact CE2-CZ 3.69Å; F58-F90 AromaticContact CZ-CZ 3.8Å; F58-F90 HydrophobicContact CZ-CZ 3.8Å; F58-E117 CarbonylContact C-O 3.52Å; F58-E117 VanDerWaalsContact CA-O 3.28Å; F58-E117 WeakPolarHBondContact CA-O 3.49Å; F58-V118 HydrophobicContact CD1-CB 4.42Å; F58-V118 HydrophobicContact CD1-CG1 4.26Å; F58-V118 HydrophobicContact CD1-CG2 4.04Å; F58-V118 HydrophobicContact CE1-CB 4.47Å; F58-V118 HydrophobicContact CE1-CG1 3.91Å; F58-V118 HydrophobicContact CE1-CG2 4.09Å |
| 59 | K | 94.1 | Very high | 82.5 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.2 | 161.4 | -56 | 178.7 | -167.3 | 159.6 | 0 | 108.4 | Y57 R76 I116 E117 | Y57-K59 HydrophobicContact CE2-CG 4.03Å; K59-R76 HydrophobicContact CG-CB 4.49Å; K59-R76 HydrophobicContact CG-CG 4.12Å; K59-I116 WeakPolarHBondContact O-CA 3.43Å; K59-E117 HydrophobicContact CB-CB 4.19Å; K59-E117 PolarHBondContact N-O 3.31Å; K59-E117 PolarHBondContact O-N 2.82Å |
| 60 | L | 94.5 | Very high | 84.1 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.8 | -174.8 | 175.9 | 65.1 | 0 | 0 | 0 | 109.8 | L31 I62 L73 D74 M75 L101 I116 | L31-L60 HydrophobicContact CD1-CD1 3.92Å; L31-L60 HydrophobicContact CD1-CD2 3.97Å; L31-L60 HydrophobicContact CD2-CD2 4.2Å; L60-I62 HydrophobicContact CD1-CD1 4.25Å; L60-I62 HydrophobicContact CD1-CG1 3.97Å; L60-I62 HydrophobicContact CD2-CD1 4.36Å; L60-I62 HydrophobicContact CG-CD1 4.43Å; L60-I62 HydrophobicContact CG-CG1 4.2Å; L60-L73 HydrophobicContact CD2-CD2 3.45Å; L60-L73 VanDerWaalsContact CD2-CD2 3.45Å; L60-L73 HydrophobicContact CD2-CG 4.33Å; L60-L73 HydrophobicContact CG-CD2 4.15Å; L60-D74 WeakPolarHBondContact O-CA 3.34Å; L60-M75 PolarHBondContact N-O 2.6Å; L60-M75 PolarHBondContact O-N 3.4Å; L60-L101 HydrophobicContact CD2-CD1 3.66Å; L60-I116 HydrophobicContact CD1-CD1 4.34Å; L60-I116 HydrophobicContact CD1-CG1 3.76Å |
| 61 | C | 94.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.8 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 109.2 | C70 L73 K115 | C61-C70 HydrophobicContact CB-CB 4Å; C61-C70 WeakPolarHBondContact CB-SG 3.46Å; C61-C70 WeakPolarHBondContact SG-CA 3.29Å; C61-C70 WeakPolarHBondContact SG-CB 3.49Å; C61-C70 CovalentContact SG-SG 2.02Å; C61-C70 PolarHBondContact SG-SG 3.17Å; C61-L73 CarbonylContact C-O 3.52Å; C61-L73 WeakPolarHBondContact CA-O 3.31Å; C61-K115 HydrophobicContact CB-CB 4.23Å; C61-K115 PolarHBondContact N-O 2.63Å; C61-K115 PolarHBondContact O-N 2.91Å |
| 62 | I | 94.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.6 | 175.5 | -51.5 | -179.6 | 0 | 0 | 0 | 109.1 | L29 L31 L60 C70 S71 I72 L73 L112 Y113 | L29-I62 HydrophobicContact CD2-CG2 4.23Å; L31-I62 HydrophobicContact CD1-CD1 3.73Å; L60-I62 HydrophobicContact CD1-CD1 4.25Å; L60-I62 HydrophobicContact CD1-CG1 3.97Å; L60-I62 HydrophobicContact CD2-CD1 4.36Å; L60-I62 HydrophobicContact CG-CD1 4.43Å; L60-I62 HydrophobicContact CG-CG1 4.2Å; I62-C70 CarbonylContact O-C 3.46Å; I62-C70 VanDerWaalsContact O-C 3.22Å; I62-C70 WeakPolarHBondContact O-CA 3.38Å; I62-S71 PolarHBondContact O-N 3.26Å; I62-I72 HydrophobicContact CB-CB 4.47Å; I62-I72 HydrophobicContact CG2-CB 4.27Å; I62-I72 HydrophobicContact CG2-CD1 4.41Å; I62-I72 HydrophobicContact CG2-CG2 4.42Å; I62-I72 WeakPolarHBondContact O-CB 3.2Å; I62-I72 PolarHBondContact O-N 2.84Å; I62-L73 HydrophobicContact CB-CB 4.05Å; I62-L73 HydrophobicContact CD1-CB 4.33Å; I62-L73 HydrophobicContact CD1-CD2 3.93Å; I62-L73 HydrophobicContact CG1-CB 4.26Å; I62-L73 HydrophobicContact CG1-CD2 4.46Å; I62-L73 PolarHBondContact N-O 2.86Å; I62-L73 PolarHBondContact O-N 2.81Å; I62-L112 HydrophobicContact CG2-CB 4.32Å; I62-L112 HydrophobicContact CG2-CD1 4.23Å; I62-L112 HydrophobicContact CG2-CD2 3.98Å; I62-L112 HydrophobicContact CG2-CG 4.39Å; I62-Y113 CarbonylContact C-O 3.57Å; I62-Y113 VanDerWaalsContact CA-O 3.29Å; I62-Y113 WeakPolarHBondContact CA-O 3.41Å |
| 63 | G | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | -178.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | G69 S71 L112 Y113 | G63-G69 WeakPolarHBondContact CA-O 3.35Å; G63-S71 WeakPolarHBondContact CA-OG 3.41Å; G63-L112 WeakPolarHBondContact O-CA 3.26Å; G63-Y113 PolarHBondContact N-O 2.96Å; G63-Y113 PolarHBondContact O-N 3.16Å |
| 64 | D | 90.2 | Very high | 88.3 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 138 | 166.5 | -176.1 | -29.7 | 0 | 0 | 0 | 109.5 | N66 S67 S71 P109 | D64-N66 PolarHBondContact O-N 2.98Å; D64-N66 PolarHBondContact OD1-N 3.36Å; D64-N66 PolarHBondContact OD1-ND2 2.84Å; D64-N66 VanDerWaalsContact OD1-ND2 3.15Å; D64-S67 CarbonylContact O-C 3.59Å; D64-S67 VanDerWaalsContact O-C 3.25Å; D64-S67 PolarHBondContact O-N 3.15Å; D64-S71 PolarHBondContact N-OG 3.14Å; D64-P109 HydrophobicContact CB-CB 4.27Å |
| 65 | Q | 86 | Confident | 88.7 | Confident | 72 Ų | 72 | 44.5 Ų | 44.5 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | -35.7 | 173.2 | 170.1 | 172.6 | 24.1 | 0 | 0 | 113.4 | S67 K111 N138 | Q65-S67 VanDerWaalsContact C-N 3.32Å; Q65-K111 HydrophobicContact CB-CB 4.33Å; Q65-K111 PolarHBondContact N-O 2.79Å; Q65-N138 VanDerWaalsContact CG-O 3.27Å; Q65-N138 WeakPolarHBondContact CG-O 3.49Å |
| 66 | N | 81.5 | Confident | 89 | Confident | 141 Ų | 141 | 49.2 Ų | 49.2 | 75% | 0.754 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.5 | -177.7 | -60.6 | -56.4 | 0 | 0 | 0 | 113.5 | D64 | D64-N66 PolarHBondContact O-N 2.98Å; D64-N66 PolarHBondContact OD1-N 3.36Å; D64-N66 PolarHBondContact OD1-ND2 2.84Å; D64-N66 VanDerWaalsContact OD1-ND2 3.15Å |
| 67 | S | 71.5 | Confident | 89.2 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -122.6 | 99.8 | 174.6 | 70 | 0 | 0 | 0 | 0 | 108.7 | D64 Q65 G69 S71 | D64-S67 CarbonylContact O-C 3.59Å; D64-S67 VanDerWaalsContact O-C 3.25Å; D64-S67 PolarHBondContact O-N 3.15Å; Q65-S67 VanDerWaalsContact C-N 3.32Å; S67-G69 PolarHBondContact O-N 3.03Å; S67-S71 PolarHBondContact OG-OG 3.02Å |
| 68 | R | 72.7 | Confident | 89 | Confident | 185 Ų | 185 | 50 Ų | 50 | 70% | 0.698 | 26% | 0.263 | S | S | * | . | trans | -64.7 | 28.5 | 176.1 | -67.6 | -170.7 | -179.3 | -174 | -0.2 | 114.7 | Y113 | R68-Y113 HydrophobicContact CG-CD2 4.41Š| ||
| 69 | G | 82.6 | Confident | 88.6 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 38% | 0.381 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -109.3 | 165.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G63 S67 S71 | G63-G69 WeakPolarHBondContact CA-O 3.35Å; S67-G69 PolarHBondContact O-N 3.03Å; G69-S71 PolarHBondContact O-N 2.88Å |
| 70 | C | 91.2 | Very high | 87.3 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | trans | -79.8 | 55.6 | -179.5 | -42.3 | 0 | 0 | 0 | 0 | 111.4 | C61 I62 I72 L73 D74 | C61-C70 HydrophobicContact CB-CB 4Å; C61-C70 WeakPolarHBondContact CB-SG 3.46Å; C61-C70 WeakPolarHBondContact SG-CA 3.29Å; C61-C70 WeakPolarHBondContact SG-CB 3.49Å; C61-C70 CovalentContact SG-SG 2.02Å; C61-C70 PolarHBondContact SG-SG 3.17Å; I62-C70 CarbonylContact O-C 3.46Å; I62-C70 VanDerWaalsContact O-C 3.22Å; I62-C70 WeakPolarHBondContact O-CA 3.38Å; C70-I72 PolarHBondContact O-N 2.62Å; C70-L73 WeakPolarHBondContact CB-O 3.39Å; C70-D74 HydrophobicContact CB-CB 3.68Å | ||
| 71 | S | 89.7 | Confident | 85.9 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -69 | -18.3 | -171.6 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | I62 G63 D64 S67 G69 | I62-S71 PolarHBondContact O-N 3.26Å; G63-S71 WeakPolarHBondContact CA-OG 3.41Å; D64-S71 PolarHBondContact N-OG 3.14Å; S67-S71 PolarHBondContact OG-OG 3.02Å; G69-S71 PolarHBondContact O-N 2.88Å |
| 72 | I | 90.6 | Very high | 84.9 | Confident | 32 Ų | 32 | 55 Ų | 55 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -105.9 | -46.8 | -178.4 | -63.5 | 170 | 0 | 0 | 0 | 111.1 | L29 I62 C70 R103 V105 P109 L112 | L29-I72 HydrophobicContact CD2-CG2 3.92Å; I62-I72 HydrophobicContact CB-CB 4.47Å; I62-I72 HydrophobicContact CG2-CB 4.27Å; I62-I72 HydrophobicContact CG2-CD1 4.41Å; I62-I72 HydrophobicContact CG2-CG2 4.42Å; I62-I72 WeakPolarHBondContact O-CB 3.2Å; I62-I72 PolarHBondContact O-N 2.84Å; C70-I72 PolarHBondContact O-N 2.62Å; I72-R103 HydrophobicContact CG2-CB 4.39Å; I72-V105 HydrophobicContact CG1-CG1 4.28Å; I72-V105 HydrophobicContact CG2-CG1 3.71Å; I72-P109 HydrophobicContact CD1-CG 4Å; I72-L112 HydrophobicContact CD1-CD2 3.66Å |
| 73 | L | 91.8 | Very high | 83.9 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 127.8 | -178.3 | -179.6 | 62.9 | 0 | 0 | 0 | 110.6 | L60 C61 I62 C70 M75 L101 R103 | L60-L73 HydrophobicContact CD2-CD2 3.45Å; L60-L73 VanDerWaalsContact CD2-CD2 3.45Å; L60-L73 HydrophobicContact CD2-CG 4.33Å; L60-L73 HydrophobicContact CG-CD2 4.15Å; C61-L73 CarbonylContact C-O 3.52Å; C61-L73 WeakPolarHBondContact CA-O 3.31Å; I62-L73 HydrophobicContact CB-CB 4.05Å; I62-L73 HydrophobicContact CD1-CB 4.33Å; I62-L73 HydrophobicContact CD1-CD2 3.93Å; I62-L73 HydrophobicContact CG1-CB 4.26Å; I62-L73 HydrophobicContact CG1-CD2 4.46Å; I62-L73 PolarHBondContact N-O 2.86Å; I62-L73 PolarHBondContact O-N 2.81Å; C70-L73 WeakPolarHBondContact CB-O 3.39Å; L73-M75 HydrophobicContact CD1-CB 4.13Å; L73-M75 HydrophobicContact CG-CB 4.46Å; L73-L101 HydrophobicContact CD2-CD1 4.26Å; L73-R103 HydrophobicContact CB-CG 4.29Å; L73-R103 HydrophobicContact CD1-CG 3.93Å; L73-R103 VanDerWaalsContact CD1-NE 3.33Å |
| 74 | D | 93.4 | Very high | 83.3 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 116.1 | 166.8 | -169.6 | -9.6 | 0 | 0 | 0 | 107.6 | L60 C70 | L60-D74 WeakPolarHBondContact O-CA 3.34Å; C70-D74 HydrophobicContact CB-CB 3.68Å |
| 75 | M | 92.9 | Very high | 82.9 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 18% | 0.177 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 153.2 | -174.3 | -162.2 | -178.5 | 87 | 0 | 0 | 112.5 | L60 L73 T77 V97 L101 | L60-M75 PolarHBondContact N-O 2.6Å; L60-M75 PolarHBondContact O-N 3.4Å; L73-M75 HydrophobicContact CD1-CB 4.13Å; L73-M75 HydrophobicContact CG-CB 4.46Å; M75-T77 HydrophobicContact CE-CG2 4.27Å; M75-V97 HydrophobicContact CE-CG1 3.51Å; M75-V97 HydrophobicContact SD-CG1 4.34Å; M75-L101 HydrophobicContact CE-CD1 3.52Å; M75-L101 HydrophobicContact CE-CD2 3.62Å; M75-L101 HydrophobicContact CE-CG 4.23Å; M75-L101 HydrophobicContact SD-CD1 4.29Å; M75-L101 HydrophobicContact SD-CD2 3.92Å |
| 76 | R | 92.7 | Very high | 82.8 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 137.4 | 169.9 | -177.1 | 179.5 | 173.9 | 160.6 | 5.4 | 110.2 | Y57 F58 K59 D129 | Y57-R76 HydrophobicContact CD2-CG 3.85Å; Y57-R76 VanDerWaalsContact CD2-NE 3.26Å; Y57-R76 VanDerWaalsContact CE1-NH2 3.27Å; Y57-R76 HydrophobicContact CE2-CG 4.11Å; Y57-R76 VanDerWaalsContact CZ-CZ 3.43Å; Y57-R76 PolarHBondContact OH-NH2 3.18Å; F58-R76 CarbonylContact O-C 3.25Å; F58-R76 VanDerWaalsContact O-CA 3.26Å; F58-R76 WeakPolarHBondContact O-CA 3.29Å; K59-R76 HydrophobicContact CG-CB 4.49Å; K59-R76 HydrophobicContact CG-CG 4.12Å; R76-D129 IonicContact CZ-OD2 4Å; R76-D129 IonicContact NH2-OD2 3.02Å; R76-D129 PolarHBondContact NH2-OD2 3.34Å |
| 77 | T | 91.5 | Very high | 83.2 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -78.7 | 159 | 172.4 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | F58 M75 I94 | F58-T77 HydrophobicContact CB-CG2 4.2Å; F58-T77 HydrophobicContact CD2-CG2 3.97Å; F58-T77 WeakPolarHBondContact CD2-OG1 3.41Å; F58-T77 PolarHBondContact N-OG1 2.95Å; F58-T77 PolarHBondContact O-N 3.42Å; M75-T77 HydrophobicContact CE-CG2 4.27Å; T77-I94 HydrophobicContact CG2-CG2 4.48Å | ||
| 78 | P | 87.6 | Confident | 84 | Confident | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | trans | -68 | 135.7 | -177.2 | -16.5 | 32.9 | 0 | 0 | 0 | 110.8 | A80 S81 D95 Y96 V97 | P78-A80 VanDerWaalsContact C-N 3.32Å; P78-A80 PolarHBondContact O-N 3.22Å; P78-S81 PolarHBondContact O-N 3.32Å; P78-D95 HydrophobicContact CG-CB 4.18Å; P78-Y96 HydrophobicContact CB-CE1 3.75Å; P78-Y96 HydrophobicContact CG-CD1 3.94Å; P78-Y96 HydrophobicContact CG-CE1 3.32Å; P78-Y96 HydrophobicContact CG-CE2 4.09Å; P78-Y96 VanDerWaalsContact CG-CZ 3.42Å; P78-V97 HydrophobicContact CG-CG2 4.01Å | ||
| 79 | K | 83.3 | Confident | 85 | Confident | 74 Ų | 74 | 51 Ų | 51 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -64.6 | -34.1 | -179.9 | -59.3 | -154.1 | -135.6 | -171.4 | 0 | 113.6 | Y57 S81 A121 Y123 D129 | Y57-K79 HydrophobicContact CD1-CD 4.22Å; Y57-K79 HydrophobicContact CD1-CG 4.04Å; Y57-K79 HydrophobicContact CE1-CD 4.18Å; Y57-K79 HydrophobicContact CE1-CG 4.42Å; Y57-K79 HydrophobicContact CG-CG 4.16Å; K79-S81 VanDerWaalsContact C-N 3.3Å; K79-S81 PolarHBondContact O-N 3.41Å; K79-A121 HydrophobicContact CB-CB 3.82Å; K79-A121 HydrophobicContact CD-CB 3.68Å; K79-A121 HydrophobicContact CG-CB 4.18Å; K79-Y123 VanDerWaalsContact C-OH 3.28Å; K79-Y123 PolarHBondContact O-OH 2.86Å; K79-D129 WeakPolarHBondContact CE-OD2 3.26Å; K79-D129 IonicContact NZ-OD1 2.69Å; K79-D129 PolarHBondContact NZ-OD1 3.19Å; K79-D129 IonicContact NZ-OD2 2.73Å; K79-D129 PolarHBondContact NZ-OD2 2.03Å |
| 80 | A | 68.1 | Low | 85.4 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 52% | 0.521 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -84.4 | -1.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P78 Y123 | P78-A80 VanDerWaalsContact C-N 3.32Å; P78-A80 PolarHBondContact O-N 3.22Å; A80-Y123 WeakPolarHBondContact CA-OH 3.47Å |
| 81 | S | 65.7 | Low | 85.3 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -74.7 | -32.6 | -171.8 | 175.9 | 0 | 0 | 0 | 0 | 113.4 | P78 K79 D95 | P78-S81 PolarHBondContact O-N 3.32Å; K79-S81 VanDerWaalsContact C-N 3.3Å; K79-S81 PolarHBondContact O-N 3.41Å; S81-D95 WeakPolarHBondContact OG-CB 3.21Å; S81-D95 PolarHBondContact OG-N 2.9Å |
| 82 | L | 73.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -129.1 | 45.1 | -163.4 | -56.6 | 170.9 | 0 | 0 | 0 | 110.5 | L56 F58 I88 F90 I94 | L56-L82 PolarHBondContact N-O 3.23Å; F58-L82 HydrophobicContact CE2-CD1 3.64Å; F58-L82 HydrophobicContact CZ-CD1 4.27Å; L82-I88 HydrophobicContact CB-CD1 3.85Å; L82-I88 HydrophobicContact CD1-CD1 3.94Å; L82-I88 HydrophobicContact CD2-CD1 4.08Å; L82-I88 HydrophobicContact CD2-CG2 4Å; L82-I88 HydrophobicContact CG-CD1 4.15Å; L82-F90 HydrophobicContact CD1-CE1 3.79Å; L82-F90 HydrophobicContact CD1-CZ 4.37Å; L82-F90 HydrophobicContact CD2-CE1 4.21Å; L82-I94 HydrophobicContact CD1-CG2 4.07Å; L82-I94 HydrophobicContact CD2-CG2 4.4Å; L82-I94 HydrophobicContact CG-CG2 4.36Å |
| 83 | M | 72.7 | Confident | 85.3 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 135.4 | -173.1 | -63.7 | -176.5 | 75.8 | 0 | 0 | 112 | D55 Q85 Y123 | D55-M83 VanDerWaalsContact OD1-C 3.29Å; D55-M83 WeakPolarHBondContact OD1-CA 3.36Å; D55-M83 VanDerWaalsContact OD1-CB 3.27Å; D55-M83 WeakPolarHBondContact OD1-CB 3.17Å; M83-Q85 VanDerWaalsContact C-N 3.33Å; M83-Q85 PolarHBondContact O-N 3.44Å; M83-Y123 HydrophobicContact CE-CD2 4.34Å; M83-Y123 HydrophobicContact CE-CE2 3.76Å |
| 84 | N | 78.8 | Confident | 85.1 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 47.3 | 172.5 | -69.9 | -112 | 0 | 0 | 0 | 112.4 | Y53 C54 D55 | Y53-N84 WeakPolarHBondContact CD1-O 3Å; C54-N84 CarbonylContact O-C 3.57Å; C54-N84 WeakPolarHBondContact O-CA 3.23Å; C54-N84 PolarHBondContact O-N 2.97Å; D55-N84 PolarHBondContact OD1-N 3.49Å; D55-N84 PolarHBondContact OD1-ND2 3.5Å |
| 85 | Q | 81.9 | Confident | 84.8 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | trans | -131.2 | 119.2 | -178.3 | -75.4 | 176.6 | 49.1 | 0 | 0 | 112.3 | C54 M83 I88 | C54-Q85 PolarHBondContact O-N 2.92Å; M83-Q85 VanDerWaalsContact C-N 3.33Å; M83-Q85 PolarHBondContact O-N 3.44Å; Q85-I88 HydrophobicContact CB-CD1 4.06Å; Q85-I88 HydrophobicContact CB-CG1 3.75Å | ||
| 86 | N | 84.3 | Confident | 84.6 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -96.4 | -9.1 | 176.3 | -70 | -1.3 | 0 | 0 | 0 | 113.3 | T37 V38 D52 Y53 C54 | T37-N86 CarbonylContact C-O 3.38Å; T37-N86 WeakPolarHBondContact CA-O 3.44Å; V38-N86 HydrophobicContact CB-CB 4.43Å; V38-N86 PolarHBondContact N-O 3.38Å; V38-N86 WeakPolarHBondContact O-CB 3.5Å; D52-N86 PolarHBondContact O-ND2 3.01Å; Y53-N86 WeakPolarHBondContact CA-OD1 3.22Å; C54-N86 PolarHBondContact N-OD1 3.33Å; C54-N86 PolarHBondContact SG-OD1 2.89Å |
| 87 | S | 89.9 | Confident | 84.5 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 117.7 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | I36 | I36-S87 WeakPolarHBondContact O-CA 3.27Å |
| 88 | I | 89.7 | Confident | 84.5 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121.9 | -172.5 | -52.1 | 165.7 | 0 | 0 | 0 | 107.9 | N35 I36 L56 L82 Q85 F90 | N35-I88 CarbonylContact C-O 3.49Å; N35-I88 WeakPolarHBondContact CA-O 3.2Å; N35-I88 WeakPolarHBondContact CB-O 3.47Å; I36-I88 HydrophobicContact CG2-CB 3.86Å; I36-I88 HydrophobicContact CG2-CD1 3.99Å; I36-I88 HydrophobicContact CG2-CG1 4.21Å; I36-I88 PolarHBondContact N-O 3.1Å; I36-I88 PolarHBondContact O-N 3.5Å; L56-I88 HydrophobicContact CD1-CD1 3.99Å; L82-I88 HydrophobicContact CB-CD1 3.85Å; L82-I88 HydrophobicContact CD1-CD1 3.94Å; L82-I88 HydrophobicContact CD2-CD1 4.08Å; L82-I88 HydrophobicContact CD2-CG2 4Å; L82-I88 HydrophobicContact CG-CD1 4.15Å; Q85-I88 HydrophobicContact CB-CD1 4.06Å; Q85-I88 HydrophobicContact CB-CG1 3.75Å; I88-F90 HydrophobicContact CB-CE1 4.3Å; I88-F90 HydrophobicContact CB-CZ 4.16Å; I88-F90 HydrophobicContact CG2-CD1 3.75Å; I88-F90 HydrophobicContact CG2-CE1 3.5Å; I88-F90 HydrophobicContact CG2-CE2 4.39Å; I88-F90 HydrophobicContact CG2-CG 4.31Å; I88-F90 HydrophobicContact CG2-CZ 3.86Å |
| 89 | S | 92.3 | Very high | 84.7 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 70% | 0.699 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.7 | 165 | -68.6 | 0 | 0 | 0 | 0 | 108.1 | ||
| 90 | F | 90.8 | Very high | 85.2 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | trans | -81.7 | 127.7 | -174.5 | -60.9 | -75.6 | 0 | 0 | 0 | 110.6 | F33 V34 I36 F58 L82 I88 I94 | F33-F90 HydrophobicContact CB-CB 4.16Å; F33-F90 HydrophobicContact CB-CD1 4.49Å; F33-F90 HydrophobicContact CB-CD2 3.53Å; F33-F90 HydrophobicContact CB-CE2 3.99Å; F33-F90 HydrophobicContact CB-CG 3.81Å; F33-F90 HydrophobicContact CD1-CE2 4.41Å; F33-F90 WeakPolarHBondContact O-CB 3.43Å; V34-F90 PolarHBondContact O-N 3.21Å; I36-F90 HydrophobicContact CB-CE2 4.19Å; I36-F90 HydrophobicContact CG2-CE2 3.72Å; I36-F90 HydrophobicContact CG2-CZ 3.66Å; F58-F90 HydrophobicContact CE2-CE1 4.07Å; F58-F90 AromaticContact CE2-CZ 3.69Å; F58-F90 HydrophobicContact CE2-CZ 3.69Å; F58-F90 AromaticContact CZ-CZ 3.8Å; F58-F90 HydrophobicContact CZ-CZ 3.8Å; L82-F90 HydrophobicContact CD1-CE1 3.79Å; L82-F90 HydrophobicContact CD1-CZ 4.37Å; L82-F90 HydrophobicContact CD2-CE1 4.21Å; I88-F90 HydrophobicContact CB-CE1 4.3Å; I88-F90 HydrophobicContact CB-CZ 4.16Å; I88-F90 HydrophobicContact CG2-CD1 3.75Å; I88-F90 HydrophobicContact CG2-CE1 3.5Å; I88-F90 HydrophobicContact CG2-CE2 4.39Å; I88-F90 HydrophobicContact CG2-CG 4.31Å; I88-F90 HydrophobicContact CG2-CZ 3.86Å; F90-I94 HydrophobicContact CD1-CD1 3.82Å; F90-I94 HydrophobicContact CD1-CG1 3.76Å; F90-I94 HydrophobicContact CE1-CD1 4.02Å; F90-I94 HydrophobicContact CE1-CG1 4.26Å; F90-I94 HydrophobicContact CG-CD1 4.42Å | ||
| 91 | G | 89.4 | Confident | 86.4 | Confident | 43 Ų | 43 | 55 Ų | 55 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | trans | -82.4 | -152.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F93 N99 | G91-F93 PolarHBondContact O-N 3.41Å; G91-N99 WeakPolarHBondContact O-CB 3.34Å; G91-N99 PolarHBondContact O-ND2 3.29Å | ||
| 92 | D | 89.6 | Confident | 87.6 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 60% | 0.599 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -74 | -6.7 | -179.7 | -59.6 | -35.5 | 0 | 0 | 0 | 113.7 | N99 | D92-N99 CarbonylContact C-O 3.59Å; D92-N99 VanDerWaalsContact CA-O 3.29Å; D92-N99 WeakPolarHBondContact CA-O 3.42Å; D92-N99 PolarHBondContact O-N 3.1Å; D92-N99 VanDerWaalsContact O-O 3.12Å |
| 93 | F | 90.7 | Very high | 88.5 | Confident | 134 Ų | 134 | 60.7 Ų | 60.7 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.9 | -179.3 | -60.3 | -88.4 | 0 | 0 | 0 | 111.8 | G91 D95 V97 P98 | G91-F93 PolarHBondContact O-N 3.41Å; F93-D95 WeakPolarHBondContact CB-O 3.04Å; F93-V97 CarbonylContact C-O 3.45Å; F93-V97 VanDerWaalsContact CA-O 3.3Å; F93-V97 WeakPolarHBondContact CA-O 3.44Å; F93-P98 HydrophobicContact CE1-CB 4.49Å |
| 94 | I | 89 | Confident | 89.3 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 88.2 | 166.6 | -52.4 | 179 | 0 | 0 | 0 | 106 | F33 T77 L82 F90 Y96 V97 N99 | F33-I94 HydrophobicContact CB-CD1 4.07Å; F33-I94 HydrophobicContact CD1-CD1 4.47Å; F33-I94 HydrophobicContact CD2-CD1 3.78Å; F33-I94 HydrophobicContact CE2-CD1 4.36Å; F33-I94 HydrophobicContact CG-CD1 3.87Å; T77-I94 HydrophobicContact CG2-CG2 4.48Å; L82-I94 HydrophobicContact CD1-CG2 4.07Å; L82-I94 HydrophobicContact CD2-CG2 4.4Å; L82-I94 HydrophobicContact CG-CG2 4.36Å; F90-I94 HydrophobicContact CD1-CD1 3.82Å; F90-I94 HydrophobicContact CD1-CG1 3.76Å; F90-I94 HydrophobicContact CE1-CD1 4.02Å; F90-I94 HydrophobicContact CE1-CG1 4.26Å; F90-I94 HydrophobicContact CG-CD1 4.42Å; I94-Y96 PolarHBondContact O-N 2.93Å; I94-V97 HydrophobicContact CB-CB 4.38Å; I94-V97 PolarHBondContact N-O 3.06Å; I94-V97 WeakPolarHBondContact O-CB 3.01Å; I94-V97 PolarHBondContact O-N 2.99Å; I94-N99 HydrophobicContact CG1-CB 4.37Å |
| 95 | D | 86.5 | Confident | 89.8 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -118.7 | -165.1 | 178.6 | 16.8 | 0 | 0 | 0 | 110.3 | P78 S81 F93 V97 | P78-D95 HydrophobicContact CG-CB 4.18Å; S81-D95 WeakPolarHBondContact OG-CB 3.21Å; S81-D95 PolarHBondContact OG-N 2.9Å; F93-D95 WeakPolarHBondContact CB-O 3.04Å; D95-V97 VanDerWaalsContact C-N 3.32Å |
| 96 | Y | 88.5 | Confident | 89.9 | Confident | 165 Ų | 165 | 62.4 Ų | 62.4 | 65% | 0.647 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.7 | 178.1 | 59.2 | -96.3 | 0 | 0 | 0 | 113.8 | P78 I94 P98 | P78-Y96 HydrophobicContact CB-CE1 3.75Å; P78-Y96 HydrophobicContact CG-CD1 3.94Å; P78-Y96 HydrophobicContact CG-CE1 3.32Å; P78-Y96 HydrophobicContact CG-CE2 4.09Å; P78-Y96 VanDerWaalsContact CG-CZ 3.42Å; I94-Y96 PolarHBondContact O-N 2.93Å; Y96-P98 WeakPolarHBondContact O-CD 3.04Å |
| 97 | V | 90.7 | Very high | 90 | Very high | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.7 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | M75 P78 F93 I94 D95 L101 | M75-V97 HydrophobicContact CE-CG1 3.51Å; M75-V97 HydrophobicContact SD-CG1 4.34Å; P78-V97 HydrophobicContact CG-CG2 4.01Å; F93-V97 CarbonylContact C-O 3.45Å; F93-V97 VanDerWaalsContact CA-O 3.3Å; F93-V97 WeakPolarHBondContact CA-O 3.44Å; I94-V97 HydrophobicContact CB-CB 4.38Å; I94-V97 PolarHBondContact N-O 3.06Å; I94-V97 WeakPolarHBondContact O-CB 3.01Å; I94-V97 PolarHBondContact O-N 2.99Å; D95-V97 VanDerWaalsContact C-N 3.32Å; V97-L101 HydrophobicContact CG1-CD2 3.5Å; V97-L101 VanDerWaalsContact CG1-CD2 3.5Å |
| 98 | P | 92.1 | Very high | 90 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 145.5 | 176.7 | -21.6 | 33.1 | 0 | 0 | 0 | 112.8 | F93 Y96 P100 L101 | F93-P98 HydrophobicContact CE1-CB 4.49Å; Y96-P98 WeakPolarHBondContact O-CD 3.04Å; P98-P100 CarbonylContact O-C 3.55Å; P98-L101 WeakPolarHBondContact O-CD2 3.06Å |
| 99 | N | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -134.6 | 107.1 | 174.7 | -176.1 | 39.8 | 0 | 0 | 0 | 109.3 | K32 F33 G91 D92 I94 | K32-N99 WeakPolarHBondContact CA-OD1 3.41Å; F33-N99 PolarHBondContact N-OD1 2.87Å; F33-N99 PolarHBondContact O-ND2 3.05Å; G91-N99 WeakPolarHBondContact O-CB 3.34Å; G91-N99 PolarHBondContact O-ND2 3.29Å; D92-N99 CarbonylContact C-O 3.59Å; D92-N99 VanDerWaalsContact CA-O 3.29Å; D92-N99 WeakPolarHBondContact CA-O 3.42Å; D92-N99 PolarHBondContact O-N 3.1Å; D92-N99 VanDerWaalsContact O-O 3.12Å; I94-N99 HydrophobicContact CG1-CB 4.37Å |
| 100 | P | 93.2 | Very high | 89.9 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | S | Bend | cis | -76.3 | 148.1 | 15.6 | 29.4 | -35.2 | 0 | 0 | 0 | 114.6 | Y30 L31 K32 P98 W179 | Y30-P100 HydrophobicContact CD1-CB 4.24Å; Y30-P100 HydrophobicContact CD1-CG 4.02Å; L31-P100 CarbonylContact O-C 3.46Å; L31-P100 VanDerWaalsContact O-CA 3.22Å; L31-P100 WeakPolarHBondContact O-CA 3.25Å; L31-P100 WeakPolarHBondContact O-CB 3.27Å; K32-P100 HydrophobicContact CB-CB 4.05Å; P98-P100 CarbonylContact O-C 3.55Å; P100-W179 HydrophobicContact CB-CH2 3.85Å; P100-W179 HydrophobicContact CB-CZ2 4.38Å; P100-W179 HydrophobicContact CG-CH2 4Å; P100-W179 HydrophobicContact CG-CZ2 4.21Å |
| 101 | L | 93.3 | Very high | 90 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 144.4 | 161.2 | -61.3 | 175 | 0 | 0 | 0 | 109.3 | Y30 L31 F33 L60 L73 M75 V97 P98 | Y30-L101 CarbonylContact C-O 3.58Å; Y30-L101 VanDerWaalsContact CA-O 3.22Å; Y30-L101 WeakPolarHBondContact CA-O 3.49Å; L31-L101 HydrophobicContact CD2-CD1 4.34Å; L31-L101 PolarHBondContact N-O 3.44Å; L31-L101 PolarHBondContact O-N 3.08Å; F33-L101 HydrophobicContact CE2-CD1 3.92Å; L60-L101 HydrophobicContact CD2-CD1 3.66Å; L73-L101 HydrophobicContact CD2-CD1 4.26Å; M75-L101 HydrophobicContact CE-CD1 3.52Å; M75-L101 HydrophobicContact CE-CD2 3.62Å; M75-L101 HydrophobicContact CE-CG 4.23Å; M75-L101 HydrophobicContact SD-CD1 4.29Å; M75-L101 HydrophobicContact SD-CD2 3.92Å; V97-L101 HydrophobicContact CG1-CD2 3.5Å; V97-L101 VanDerWaalsContact CG1-CD2 3.5Å; P98-L101 WeakPolarHBondContact O-CD2 3.06Å |
| 102 | S | 91.7 | Very high | 90.1 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143.7 | 176.7 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | L29 | L29-S102 CarbonylContact O-C 3.55Å; L29-S102 VanDerWaalsContact O-CA 3.23Å; L29-S102 WeakPolarHBondContact O-CA 3.42Å |
| 103 | R | 91.8 | Very high | 90.3 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133.2 | 173.2 | -72.9 | -63.1 | 179.2 | -92.5 | -0.3 | 110.8 | T28 L29 I72 L73 | T28-R103 CarbonylContact C-O 3.58Å; T28-R103 WeakPolarHBondContact CA-O 3.28Å; L29-R103 PolarHBondContact N-O 2.88Å; L29-R103 PolarHBondContact O-N 3.02Å; I72-R103 HydrophobicContact CG2-CB 4.39Å; L73-R103 HydrophobicContact CB-CG 4.29Å; L73-R103 HydrophobicContact CD1-CG 3.93Å; L73-R103 VanDerWaalsContact CD1-NE 3.33Å |
| 104 | I | 89.7 | Confident | 90.5 | Very high | 119 Ų | 119 | 55.8 Ų | 55.8 | 61% | 0.61 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.7 | 172.1 | -58.5 | 172.1 | 0 | 0 | 0 | 107.7 | Y26 A27 | Y26-I104 HydrophobicContact CD1-CG2 4.18Å; A27-I104 CarbonylContact O-C 3.59Å; A27-I104 WeakPolarHBondContact O-CA 3.45Å |
| 105 | V | 90 | Very high | 90.7 | Very high | 14 Ų | 14 | 58 Ų | 58 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.4 | 176.3 | -66.3 | 0 | 0 | 0 | 0 | 109.4 | Y26 A27 I72 L108 | Y26-V105 WeakPolarHBondContact CA-O 3.49Å; A27-V105 HydrophobicContact CB-CG2 4.13Å; A27-V105 PolarHBondContact N-O 2.86Å; A27-V105 WeakPolarHBondContact O-CG2 3.49Å; A27-V105 PolarHBondContact O-N 3.45Å; I72-V105 HydrophobicContact CG1-CG1 4.28Å; I72-V105 HydrophobicContact CG2-CG1 3.71Å; V105-L108 HydrophobicContact CG2-CD1 3.7Å |
| 106 | N | 83.2 | Confident | 91.1 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -77.9 | -28.3 | -179.1 | -59.3 | -4.9 | 0 | 0 | 0 | 112 | D24 Y26 | D24-N106 CarbonylContact C-O 3.53Å; Y26-N106 HydrophobicContact CD1-CB 4.46Å; Y26-N106 HydrophobicContact CE1-CB 4.31Å; Y26-N106 WeakPolarHBondContact CE1-OD1 3.26Å |
| 107 | K | 86.3 | Confident | 91.3 | Very high | 167 Ų | 167 | 47.4 Ų | 47.4 | 73% | 0.726 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -139.7 | 122.1 | 177.7 | -176.1 | 174.8 | -177.7 | 174.3 | 0 | 108.4 | P109 | K107-P109 WeakPolarHBondContact O-CD 3.19Š|
| 108 | L | 89.3 | Confident | 91.4 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -81.9 | 119.1 | -177.3 | -163.4 | 70.9 | 0 | 0 | 0 | 109.3 | A27 V105 Y142 V144 A180 | A27-L108 HydrophobicContact CB-CD1 3.98Å; A27-L108 HydrophobicContact CB-CD2 4.47Å; V105-L108 HydrophobicContact CG2-CD1 3.7Å; L108-Y142 HydrophobicContact CD1-CE2 4.01Å; L108-Y142 WeakPolarHBondContact CD1-OH 3.35Å; L108-Y142 HydrophobicContact CD2-CE2 4.03Å; L108-Y142 HydrophobicContact CG-CE2 4.09Å; L108-Y142 WeakPolarHBondContact CG-OH 3.45Å; L108-V144 HydrophobicContact CD2-CB 4.41Å; L108-V144 HydrophobicContact CD2-CG1 3.87Å; L108-V144 HydrophobicContact CD2-CG2 3.61Å; L108-A180 HydrophobicContact CD1-CB 3.71Å; L108-A180 HydrophobicContact CD2-CB 3.84Å; L108-A180 HydrophobicContact CG-CB 4.43Å | ||
| 109 | P | 89.5 | Confident | 91.3 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | trans | -74.9 | 145.8 | -179.4 | 31.6 | -35.8 | 0 | 0 | 0 | 110.5 | D64 I72 K107 K111 L112 Y142 | D64-P109 HydrophobicContact CB-CB 4.27Å; I72-P109 HydrophobicContact CD1-CG 4Å; K107-P109 WeakPolarHBondContact O-CD 3.19Å; P109-K111 PolarHBondContact O-N 3.38Å; P109-K111 VanDerWaalsContact O-N 3.16Å; P109-L112 HydrophobicContact CG-CD2 3.5Å; P109-L112 VanDerWaalsContact CG-CD2 3.5Å; P109-Y142 PolarHBondContact O-OH 3.08Å | ||
| 110 | S | 90.5 | Very high | 91.1 | Very high | 105 Ų | 105 | 45.4 Ų | 45.4 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -60.9 | -29.9 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 111 | K | 92.3 | Very high | 90.8 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 35% | 0.352 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -144.5 | 153 | 175.3 | -59.6 | -172.1 | -178.9 | -175.3 | 0 | 110.3 | Q65 P109 A139 Y140 T141 | Q65-K111 HydrophobicContact CB-CB 4.33Å; Q65-K111 PolarHBondContact N-O 2.79Å; P109-K111 PolarHBondContact O-N 3.38Å; P109-K111 VanDerWaalsContact O-N 3.16Å; K111-A139 HydrophobicContact CD-CB 3.84Å; K111-Y140 WeakPolarHBondContact CA-O 3.36Å; K111-T141 HydrophobicContact CD-CG2 4.46Å; K111-T141 HydrophobicContact CG-CG2 4.49Å |
| 112 | L | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.2 | -179.7 | -60.4 | 167.1 | 0 | 0 | 0 | 111.2 | L29 I62 G63 I72 P109 N138 A139 Y140 Y142 V178 | L29-L112 HydrophobicContact CD1-CD1 4.07Å; L29-L112 HydrophobicContact CD2-CD1 4.03Å; L29-L112 HydrophobicContact CD2-CD2 4.27Å; I62-L112 HydrophobicContact CG2-CB 4.32Å; I62-L112 HydrophobicContact CG2-CD1 4.23Å; I62-L112 HydrophobicContact CG2-CD2 3.98Å; I62-L112 HydrophobicContact CG2-CG 4.39Å; G63-L112 WeakPolarHBondContact O-CA 3.26Å; I72-L112 HydrophobicContact CD1-CD2 3.66Å; P109-L112 HydrophobicContact CG-CD2 3.5Å; P109-L112 VanDerWaalsContact CG-CD2 3.5Å; L112-N138 CarbonylContact O-C 3.53Å; L112-A139 PolarHBondContact O-N 2.9Å; L112-Y140 PolarHBondContact N-O 3.42Å; L112-Y140 PolarHBondContact O-N 3.1Å; L112-Y142 HydrophobicContact CD1-CD1 3.67Å; L112-Y142 HydrophobicContact CD1-CE1 3.78Å; L112-Y142 HydrophobicContact CD1-CG 4.29Å; L112-Y142 HydrophobicContact CD2-CE1 4.21Å; L112-Y142 HydrophobicContact CG-CD1 3.86Å; L112-Y142 HydrophobicContact CG-CE1 3.55Å; L112-V178 HydrophobicContact CD1-CG1 3.95Å |
| 113 | Y | 94.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 120.7 | 152 | 173.5 | -105.2 | 0 | 0 | 0 | 107.5 | I62 G63 R68 K115 E136 N138 | I62-Y113 CarbonylContact C-O 3.57Å; I62-Y113 VanDerWaalsContact CA-O 3.29Å; I62-Y113 WeakPolarHBondContact CA-O 3.41Å; G63-Y113 PolarHBondContact N-O 2.96Å; G63-Y113 PolarHBondContact O-N 3.16Å; R68-Y113 HydrophobicContact CG-CD2 4.41Å; Y113-K115 HydrophobicContact CE1-CB 4.28Å; Y113-E136 HydrophobicContact CE2-CG 3.96Å; Y113-E136 WeakPolarHBondContact CE2-OE1 2.97Å; Y113-E136 PolarHBondContact OH-OE1 3.2Å; Y113-N138 WeakPolarHBondContact CD2-OD1 3.07Å; Y113-N138 WeakPolarHBondContact CE2-OD1 3.43Å |
| 114 | M | 93.4 | Very high | 88.4 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.2 | 179.5 | -175.5 | 177.6 | 70.9 | 0 | 0 | 110.2 | L31 I116 E136 D137 Y140 I163 V178 | L31-M114 HydrophobicContact CD1-SD 4.35Å; M114-I116 HydrophobicContact CG-CG1 4.39Å; M114-I116 HydrophobicContact SD-CD1 4.39Å; M114-E136 WeakPolarHBondContact O-CA 3.38Å; M114-D137 PolarHBondContact N-O 3.37Å; M114-D137 PolarHBondContact O-N 3.08Å; M114-Y140 HydrophobicContact CE-CD2 3.42Å; M114-Y140 VanDerWaalsContact CE-CD2 3.42Å; M114-Y140 HydrophobicContact CE-CE2 3.56Å; M114-Y140 HydrophobicContact CE-CG 4.04Å; M114-Y140 HydrophobicContact SD-CD2 4.39Å; M114-Y140 HydrophobicContact SD-CG 4.49Å; M114-I163 HydrophobicContact CE-CD1 4.18Å; M114-V178 HydrophobicContact SD-CG2 4.18Å |
| 115 | K | 93.7 | Very high | 87.1 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 22% | 0.217 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125.5 | 173.8 | -175.9 | -178.6 | 61.5 | 148.8 | 0 | 110.8 | C61 Y113 E117 T134 F135 E136 | C61-K115 HydrophobicContact CB-CB 4.23Å; C61-K115 PolarHBondContact N-O 2.63Å; C61-K115 PolarHBondContact O-N 2.91Å; Y113-K115 HydrophobicContact CE1-CB 4.28Å; K115-E117 HydrophobicContact CD-CG 4.47Å; K115-E117 WeakPolarHBondContact CE-OE1 3.26Å; K115-E117 HydrophobicContact CG-CG 4.42Å; K115-E117 IonicContact NZ-OE1 2.59Å; K115-E117 PolarHBondContact NZ-OE1 3.49Å; K115-T134 HydrophobicContact CD-CG2 3.91Å; K115-T134 HydrophobicContact CG-CG2 3.65Å; K115-F135 CarbonylContact C-O 3.52Å; K115-F135 VanDerWaalsContact CA-O 3.28Å; K115-F135 WeakPolarHBondContact CA-O 3.39Å; K115-E136 HydrophobicContact CB-CG 4.48Å; K115-E136 HydrophobicContact CG-CB 4.42Å |
| 116 | I | 94.6 | Very high | 86 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.9 | 175.6 | -48.7 | -177.4 | 0 | 0 | 0 | 108.1 | K59 L60 M114 T134 F135 M174 V176 | K59-I116 WeakPolarHBondContact O-CA 3.43Å; L60-I116 HydrophobicContact CD1-CD1 4.34Å; L60-I116 HydrophobicContact CD1-CG1 3.76Å; M114-I116 HydrophobicContact CG-CG1 4.39Å; M114-I116 HydrophobicContact SD-CD1 4.39Å; I116-T134 WeakPolarHBondContact O-CA 3.49Å; I116-F135 HydrophobicContact CB-CB 4.34Å; I116-F135 HydrophobicContact CB-CD2 4.46Å; I116-F135 PolarHBondContact N-O 2.92Å; I116-F135 PolarHBondContact O-N 3.23Å; I116-M174 HydrophobicContact CD1-CE 4.16Å; I116-M174 HydrophobicContact CD1-SD 4.26Å; I116-M174 HydrophobicContact CG2-CE 4.17Å; I116-M174 HydrophobicContact CG2-SD 4.15Å; I116-V176 HydrophobicContact CD1-CG1 4.04Å |
| 117 | E | 93.8 | Very high | 85.5 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.6 | 173.3 | -53.6 | 174.4 | -171.7 | 0 | 0 | 109 | F58 K59 K115 W119 T133 T134 | F58-E117 CarbonylContact C-O 3.52Å; F58-E117 VanDerWaalsContact CA-O 3.28Å; F58-E117 WeakPolarHBondContact CA-O 3.49Å; K59-E117 HydrophobicContact CB-CB 4.19Å; K59-E117 PolarHBondContact N-O 3.31Å; K59-E117 PolarHBondContact O-N 2.82Å; K115-E117 HydrophobicContact CD-CG 4.47Å; K115-E117 WeakPolarHBondContact CE-OE1 3.26Å; K115-E117 HydrophobicContact CG-CG 4.42Å; K115-E117 IonicContact NZ-OE1 2.59Å; K115-E117 PolarHBondContact NZ-OE1 3.49Å; E117-W119 VanDerWaalsContact CB-NE1 3.27Å; E117-W119 PolarHBondContact OE2-NE1 3.29Å; E117-T133 WeakPolarHBondContact CA-O 3.39Å; E117-T134 HydrophobicContact CG-CG2 4.12Å |
| 118 | V | 92 | Very high | 85.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.1 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | I36 L56 F58 L132 T133 F135 I172 | I36-V118 HydrophobicContact CD1-CG1 4.16Å; I36-V118 HydrophobicContact CD1-CG2 4.28Å; L56-V118 HydrophobicContact CD2-CG1 4.01Å; F58-V118 HydrophobicContact CD1-CB 4.42Å; F58-V118 HydrophobicContact CD1-CG1 4.26Å; F58-V118 HydrophobicContact CD1-CG2 4.04Å; F58-V118 HydrophobicContact CE1-CB 4.47Å; F58-V118 HydrophobicContact CE1-CG1 3.91Å; F58-V118 HydrophobicContact CE1-CG2 4.09Å; V118-L132 HydrophobicContact CG1-CD1 4.22Å; V118-L132 PolarHBondContact O-N 3.17Å; V118-T133 HydrophobicContact CB-CG2 4.14Å; V118-T133 HydrophobicContact CG2-CG2 4.01Å; V118-T133 PolarHBondContact N-O 2.89Å; V118-T133 PolarHBondContact O-N 3.46Å; V118-F135 HydrophobicContact CG2-CD2 4.17Å; V118-F135 HydrophobicContact CG2-CE2 3.75Å; V118-I172 HydrophobicContact CG1-CD1 4.48Å |
| 119 | W | 90.6 | Very high | 85 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.1 | -175.9 | -67.9 | 79.4 | 0 | 0 | 0 | 110.4 | L56 Y57 E117 D129 D130 H131 | L56-W119 CarbonylContact C-O 3.55Å; L56-W119 WeakPolarHBondContact CA-O 3.36Å; Y57-W119 HydrophobicContact CD1-CB 3.73Å; Y57-W119 HydrophobicContact CD2-CB 4.22Å; Y57-W119 HydrophobicContact CE1-CB 3.16Å; Y57-W119 HydrophobicContact CE1-CG 4Å; Y57-W119 HydrophobicContact CE2-CB 3.65Å; Y57-W119 AromaticContact CE2-CD1 3.91Å; Y57-W119 HydrophobicContact CE2-CD2 4.5Å; Y57-W119 AromaticContact CE2-CG 3.75Å; Y57-W119 HydrophobicContact CE2-CG 3.75Å; Y57-W119 HydrophobicContact CG-CB 4.24Å; Y57-W119 AromaticContact CZ-CD2 3.9Å; Y57-W119 AromaticContact CZ-CG 3.37Å; Y57-W119 PolarHBondContact N-O 2.82Å; Y57-W119 PolarHBondContact O-N 3.17Å; Y57-W119 WeakPolarHBondContact OH-CB 3.48Å; Y57-W119 VanDerWaalsContact OH-CD2 3.25Å; Y57-W119 VanDerWaalsContact OH-CG 3.26Å; E117-W119 VanDerWaalsContact CB-NE1 3.27Å; E117-W119 PolarHBondContact OE2-NE1 3.29Å; W119-D129 HydrophobicContact CE3-CB 3.96Å; W119-D129 HydrophobicContact CZ3-CB 4.45Å; W119-D129 VanDerWaalsContact CZ3-O 3.26Å; W119-D129 WeakPolarHBondContact CZ3-O 3.43Å; W119-D130 CarbonylContact C-O 3.6Å; W119-D130 VanDerWaalsContact CA-O 3.26Å; W119-D130 WeakPolarHBondContact CA-O 3.49Å; W119-H131 HydrophobicContact CD2-CB 4.14Å; W119-H131 AromaticContact CD2-CD2 4Å; W119-H131 AromaticContact CE2-CD2 3.53Å; W119-H131 HydrophobicContact CE3-CB 3.83Å; W119-H131 HydrophobicContact CH2-CB 3.72Å; W119-H131 HydrophobicContact CZ2-CB 4.03Å; W119-H131 AromaticContact CZ2-CD2 3.69Å; W119-H131 HydrophobicContact CZ3-CB 3.63Å; W119-H131 AromaticContact NE1-CD2 3.75Å |
| 120 | D | 87.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 135.4 | 165.9 | -164.9 | 43.6 | 0 | 0 | 0 | 109 | H44 C45 C54 D55 D129 D130 L132 | H44-D120 WeakPolarHBondContact O-CB 3.44Å; C45-D120 WeakPolarHBondContact CA-OD2 3.5Å; C54-D120 VanDerWaalsContact CA-OD1 3.23Å; C54-D120 WeakPolarHBondContact CA-OD1 3.43Å; C54-D120 WeakPolarHBondContact CB-OD1 3.35Å; D55-D120 WeakPolarHBondContact CA-OD1 3.42Å; D55-D120 PolarHBondContact N-OD1 3.02Å; D120-D129 CarbonylContact O-C 3.38Å; D120-D129 VanDerWaalsContact O-CA 3.27Å; D120-D129 WeakPolarHBondContact O-CA 3.24Å; D120-D129 WeakPolarHBondContact O-CB 3.38Å; D120-D130 HydrophobicContact CB-CB 4.09Å; D120-D130 PolarHBondContact N-O 3.1Å; D120-D130 PolarHBondContact O-N 2.68Å; D120-D130 VanDerWaalsContact O-N 3.14Å; D120-L132 HydrophobicContact CB-CD1 4.42Å; D120-L132 HydrophobicContact CB-CD2 4.35Å; D120-L132 HydrophobicContact CB-CG 4.38Å |
| 121 | A | 86.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 118.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D55 Y57 K79 Y123 | D55-A121 HydrophobicContact CB-CB 4.16Å; D55-A121 WeakPolarHBondContact O-CB 3.27Å; D55-A121 PolarHBondContact O-N 3.26Å; Y57-A121 HydrophobicContact CD1-CB 3.88Å; Y57-A121 HydrophobicContact CE1-CB 4.21Å; K79-A121 HydrophobicContact CB-CB 3.82Å; K79-A121 HydrophobicContact CD-CB 3.68Å; K79-A121 HydrophobicContact CG-CB 4.18Å; A121-Y123 HydrophobicContact CB-CE2 4.25Å; A121-Y123 WeakPolarHBondContact O-CE2 2.9Å |
| 122 | D | 80.6 | Confident | 84.6 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 136 | 172.4 | -64.5 | -69 | 0 | 0 | 0 | 111.5 | D127 D129 D130 | D122-D127 HydrophobicContact CB-CB 3.9Å; D122-D129 WeakPolarHBondContact OD2-CA 3.42Å; D122-D130 PolarHBondContact OD2-N 3.49Å |
| 123 | Y | 75.2 | Confident | 84.5 | Confident | 119 Ų | 119 | 52.2 Ų | 52.2 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | trans | -104.4 | -5.9 | 179.9 | -63.6 | -84.1 | 0 | 0 | 0 | 113.1 | D55 K79 A80 M83 A121 | D55-Y123 HydrophobicContact CB-CE2 4.06Å; K79-Y123 VanDerWaalsContact C-OH 3.28Å; K79-Y123 PolarHBondContact O-OH 2.86Å; A80-Y123 WeakPolarHBondContact CA-OH 3.47Å; M83-Y123 HydrophobicContact CE-CD2 4.34Å; M83-Y123 HydrophobicContact CE-CE2 3.76Å; A121-Y123 HydrophobicContact CB-CE2 4.25Å; A121-Y123 WeakPolarHBondContact O-CE2 2.9Å | ||
| 124 | S | 70.6 | Confident | 84.4 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -73.8 | 133.5 | 171.4 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | S126 D127 | S124-S126 PolarHBondContact O-N 2.03Å; S124-D127 WeakPolarHBondContact CB-OD2 3.09Å; S124-D127 PolarHBondContact O-N 3.36Å; S124-D127 VanDerWaalsContact O-N 3.14Å; S124-D127 PolarHBondContact OG-OD2 3Å |
| 125 | F | 62.7 | Low | 84.3 | Confident | 222 Ų | 222 | 53.6 Ų | 53.6 | 97% | 0.974 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.2 | -179.8 | -172.9 | -94.8 | 0 | 0 | 0 | 113.7 | ||
| 126 | S | 67.7 | Low | 84.2 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 70% | 0.699 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -16.4 | 179 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | S124 | S124-S126 PolarHBondContact O-N 2.03Š|
| 127 | D | 71.1 | Confident | 84 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | trans | -106.2 | 137.2 | -167.5 | -54.7 | -18.3 | 0 | 0 | 0 | 108.7 | D122 S124 | D122-D127 HydrophobicContact CB-CB 3.9Å; S124-D127 WeakPolarHBondContact CB-OD2 3.09Å; S124-D127 PolarHBondContact O-N 3.36Å; S124-D127 VanDerWaalsContact O-N 3.14Å; S124-D127 PolarHBondContact OG-OD2 3Å | ||
| 128 | L | 80.8 | Confident | 83.9 | Confident | 153 Ų | 153 | 59.7 Ų | 59.7 | 80% | 0.801 | 31% | 0.305 | S | S | * | . | trans | -96.4 | 134.8 | -178.8 | -68.2 | 173.4 | 0 | 0 | 0 | 108.4 | D130 | L128-D130 PolarHBondContact O-N 3.29Å; L128-D130 VanDerWaalsContact O-N 3.15Å | ||
| 129 | D | 85.7 | Confident | 83.9 | Confident | 31 Ų | 31 | 61 Ų | 61 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | trans | -40 | 121.2 | 171.6 | -64.5 | -1 | 0 | 0 | 0 | 111.3 | Y57 R76 K79 W119 D120 D122 | Y57-D129 HydrophobicContact CE1-CB 4.07Å; Y57-D129 WeakPolarHBondContact CE1-OD2 3.35Å; Y57-D129 PolarHBondContact OH-OD2 3.1Å; R76-D129 IonicContact CZ-OD2 4Å; R76-D129 IonicContact NH2-OD2 3.02Å; R76-D129 PolarHBondContact NH2-OD2 3.34Å; K79-D129 WeakPolarHBondContact CE-OD2 3.26Å; K79-D129 IonicContact NZ-OD1 2.69Å; K79-D129 PolarHBondContact NZ-OD1 3.19Å; K79-D129 IonicContact NZ-OD2 2.73Å; K79-D129 PolarHBondContact NZ-OD2 2.03Å; W119-D129 HydrophobicContact CE3-CB 3.96Å; W119-D129 HydrophobicContact CZ3-CB 4.45Å; W119-D129 VanDerWaalsContact CZ3-O 3.26Å; W119-D129 WeakPolarHBondContact CZ3-O 3.43Å; D120-D129 CarbonylContact O-C 3.38Å; D120-D129 VanDerWaalsContact O-CA 3.27Å; D120-D129 WeakPolarHBondContact O-CA 3.24Å; D120-D129 WeakPolarHBondContact O-CB 3.38Å; D122-D129 WeakPolarHBondContact OD2-CA 3.42Å | ||
| 130 | D | 85.6 | Confident | 83.9 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | trans | -76.1 | 130.7 | 178.7 | -89.3 | -19.8 | 0 | 0 | 0 | 111.8 | H44 W119 D120 D122 L128 | H44-D130 WeakPolarHBondContact CA-OD2 3.35Å; H44-D130 IonicContact ND1-OD2 3.32Å; H44-D130 PolarHBondContact ND1-OD2 3.25Å; W119-D130 CarbonylContact C-O 3.6Å; W119-D130 VanDerWaalsContact CA-O 3.26Å; W119-D130 WeakPolarHBondContact CA-O 3.49Å; D120-D130 HydrophobicContact CB-CB 4.09Å; D120-D130 PolarHBondContact N-O 3.1Å; D120-D130 PolarHBondContact O-N 2.68Å; D120-D130 VanDerWaalsContact O-N 3.14Å; D122-D130 PolarHBondContact OD2-N 3.49Å; L128-D130 PolarHBondContact O-N 3.29Å; L128-D130 VanDerWaalsContact O-N 3.15Å | ||
| 131 | H | 88.5 | Confident | 84 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 115.1 | 172.3 | 179.3 | -115.9 | 0 | 0 | 0 | 109.6 | W119 T133 T134 | W119-H131 HydrophobicContact CD2-CB 4.14Å; W119-H131 AromaticContact CD2-CD2 4Å; W119-H131 AromaticContact CE2-CD2 3.53Å; W119-H131 HydrophobicContact CE3-CB 3.83Å; W119-H131 HydrophobicContact CH2-CB 3.72Å; W119-H131 HydrophobicContact CZ2-CB 4.03Å; W119-H131 AromaticContact CZ2-CD2 3.69Å; W119-H131 HydrophobicContact CZ3-CB 3.63Å; W119-H131 AromaticContact NE1-CD2 3.75Å; H131-T133 VanDerWaalsContact NE2-C 3.31Å; H131-T133 PolarHBondContact NE2-O 3.2Å; H131-T134 PolarHBondContact CE1-OG1 2.91Å; H131-T134 PolarHBondContact NE2-OG1 2.75Å |
| 132 | L | 88.1 | Confident | 84.2 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -52.5 | -178.3 | -59.6 | -177.8 | 0 | 0 | 0 | 111.7 | H44 L56 V118 D120 I167 I172 | H44-L132 HydrophobicContact CB-CD2 3.8Å; L56-L132 HydrophobicContact CD2-CD1 3.52Å; V118-L132 HydrophobicContact CG1-CD1 4.22Å; V118-L132 PolarHBondContact O-N 3.17Å; D120-L132 HydrophobicContact CB-CD1 4.42Å; D120-L132 HydrophobicContact CB-CD2 4.35Å; D120-L132 HydrophobicContact CB-CG 4.38Å; L132-I167 WeakPolarHBondContact O-CG2 3.03Å; L132-I172 HydrophobicContact CB-CD1 3.78Å; L132-I172 HydrophobicContact CD1-CD1 4.14Å |
| 133 | T | 90.7 | Very high | 84.6 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 164.4 | -179.3 | -158.5 | 0 | 0 | 0 | 0 | 113.1 | E117 V118 H131 F135 R165 I172 | E117-T133 WeakPolarHBondContact CA-O 3.39Å; V118-T133 HydrophobicContact CB-CG2 4.14Å; V118-T133 HydrophobicContact CG2-CG2 4.01Å; V118-T133 PolarHBondContact N-O 2.89Å; V118-T133 PolarHBondContact O-N 3.46Å; H131-T133 VanDerWaalsContact NE2-C 3.31Å; H131-T133 PolarHBondContact NE2-O 3.2Å; T133-F135 HydrophobicContact CG2-CD2 4.21Å; T133-F135 HydrophobicContact CG2-CE2 3.64Å; T133-F135 HydrophobicContact CG2-CZ 3.82Å; T133-R165 HydrophobicContact CG2-CB 4.46Å; T133-I172 HydrophobicContact CG2-CB 4.46Å; T133-I172 HydrophobicContact CG2-CD1 3.92Å |
| 134 | T | 92.5 | Very high | 85.3 | Confident | 42 Ų | 42 | 64 Ų | 64 | 26% | 0.258 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.9 | 172.3 | -60 | 0 | 0 | 0 | 0 | 109.9 | K115 I116 E117 H131 E136 | K115-T134 HydrophobicContact CD-CG2 3.91Å; K115-T134 HydrophobicContact CG-CG2 3.65Å; I116-T134 WeakPolarHBondContact O-CA 3.49Å; E117-T134 HydrophobicContact CG-CG2 4.12Å; H131-T134 PolarHBondContact CE1-OG1 2.91Å; H131-T134 PolarHBondContact NE2-OG1 2.75Å; T134-E136 HydrophobicContact CG2-CB 4.38Å |
| 135 | F | 91.8 | Very high | 86.1 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 2% | 0.022 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.5 | 166.6 | -56.8 | -75.4 | 0 | 0 | 0 | 108.4 | K115 I116 V118 T133 I163 R165 I172 M174 | K115-F135 CarbonylContact C-O 3.52Å; K115-F135 VanDerWaalsContact CA-O 3.28Å; K115-F135 WeakPolarHBondContact CA-O 3.39Å; I116-F135 HydrophobicContact CB-CB 4.34Å; I116-F135 HydrophobicContact CB-CD2 4.46Å; I116-F135 PolarHBondContact N-O 2.92Å; I116-F135 PolarHBondContact O-N 3.23Å; V118-F135 HydrophobicContact CG2-CD2 4.17Å; V118-F135 HydrophobicContact CG2-CE2 3.75Å; T133-F135 HydrophobicContact CG2-CD2 4.21Å; T133-F135 HydrophobicContact CG2-CE2 3.64Å; T133-F135 HydrophobicContact CG2-CZ 3.82Å; F135-I163 HydrophobicContact CB-CG2 4.22Å; F135-I163 HydrophobicContact CD1-CB 3.95Å; F135-I163 HydrophobicContact CD1-CG2 3.23Å; F135-I163 HydrophobicContact CE1-CB 4.11Å; F135-I163 HydrophobicContact CE1-CG2 3.74Å; F135-I163 HydrophobicContact CG-CG2 3.97Å; F135-R165 HydrophobicContact CD1-CB 4.27Å; F135-R165 HydrophobicContact CD1-CG 3.42Å; F135-R165 VanDerWaalsContact CD1-CG 3.42Å; F135-R165 HydrophobicContact CE1-CB 3.59Å; F135-R165 HydrophobicContact CE1-CG 3.23Å; F135-R165 HydrophobicContact CZ-CB 4.16Å; F135-R165 HydrophobicContact CZ-CG 4.2Å; F135-I172 HydrophobicContact CE2-CG2 4.35Å; F135-I172 HydrophobicContact CZ-CB 4.45Å; F135-I172 HydrophobicContact CZ-CG2 4.04Å; F135-M174 HydrophobicContact CD2-SD 4.28Å; F135-M174 HydrophobicContact CE2-CB 4.21Å; F135-M174 HydrophobicContact CE2-SD 4.19Å; F135-M174 HydrophobicContact CZ-CB 4.29Å |
| 136 | E | 92 | Very high | 87.3 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 42% | 0.416 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.8 | 179.6 | -174.5 | 173.7 | -152.3 | 0 | 0 | 109.7 | Y113 M114 K115 T134 | Y113-E136 HydrophobicContact CE2-CG 3.96Å; Y113-E136 WeakPolarHBondContact CE2-OE1 2.97Å; Y113-E136 PolarHBondContact OH-OE1 3.2Å; M114-E136 WeakPolarHBondContact O-CA 3.38Å; K115-E136 HydrophobicContact CB-CG 4.48Å; K115-E136 HydrophobicContact CG-CB 4.42Å; T134-E136 HydrophobicContact CG2-CB 4.38Å |
| 137 | D | 90.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 120.4 | 171.1 | -172.5 | -10.5 | 0 | 0 | 0 | 108.9 | M114 A139 Y140 | M114-D137 PolarHBondContact N-O 3.37Å; M114-D137 PolarHBondContact O-N 3.08Å; D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact OD1-N 3.49Å; D137-Y140 HydrophobicContact CB-CD2 4.38Å; D137-Y140 PolarHBondContact OD1-N 3.49Å; D137-Y140 WeakPolarHBondContact OD2-CA 3.21Å; D137-Y140 WeakPolarHBondContact OD2-CD2 3.41Å |
| 138 | N | 90.4 | Very high | 88.3 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -12.5 | -178.2 | -68.1 | -57.2 | 0 | 0 | 0 | 113.3 | Q65 L112 Y113 | Q65-N138 VanDerWaalsContact CG-O 3.27Å; Q65-N138 WeakPolarHBondContact CG-O 3.49Å; L112-N138 CarbonylContact O-C 3.53Å; Y113-N138 WeakPolarHBondContact CD2-OD1 3.07Å; Y113-N138 WeakPolarHBondContact CE2-OD1 3.43Å |
| 139 | A | 92.4 | Very high | 87.8 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 46 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K111 L112 D137 T141 | K111-A139 HydrophobicContact CD-CB 3.84Å; L112-A139 PolarHBondContact O-N 2.9Å; D137-A139 VanDerWaalsContact C-N 3.3Å; D137-A139 PolarHBondContact OD1-N 3.49Å; A139-T141 PolarHBondContact O-N 3.43Å |
| 140 | Y | 90.9 | Very high | 86.2 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.9 | -176.8 | -171.5 | -85.5 | 0 | 0 | 0 | 111.1 | K111 L112 M114 D137 H161 V178 | K111-Y140 WeakPolarHBondContact CA-O 3.36Å; L112-Y140 PolarHBondContact N-O 3.42Å; L112-Y140 PolarHBondContact O-N 3.1Å; M114-Y140 HydrophobicContact CE-CD2 3.42Å; M114-Y140 VanDerWaalsContact CE-CD2 3.42Å; M114-Y140 HydrophobicContact CE-CE2 3.56Å; M114-Y140 HydrophobicContact CE-CG 4.04Å; M114-Y140 HydrophobicContact SD-CD2 4.39Å; M114-Y140 HydrophobicContact SD-CG 4.49Å; D137-Y140 HydrophobicContact CB-CD2 4.38Å; D137-Y140 PolarHBondContact OD1-N 3.49Å; D137-Y140 WeakPolarHBondContact OD2-CA 3.21Å; D137-Y140 WeakPolarHBondContact OD2-CD2 3.41Å; Y140-H161 HydrophobicContact CE2-CB 4.47Å; Y140-V178 HydrophobicContact CE1-CB 3.73Å; Y140-V178 HydrophobicContact CE1-CG1 4.39Å; Y140-V178 HydrophobicContact CE1-CG2 3.96Å |
| 141 | T | 90.9 | Very high | 84.4 | Confident | 98 Ų | 98 | 49.4 Ų | 49.4 | 60% | 0.601 | 29% | 0.287 | S | S | * | . | trans | -99.3 | 140.4 | 178.3 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | K111 A139 | K111-T141 HydrophobicContact CD-CG2 4.46Å; K111-T141 HydrophobicContact CG-CG2 4.49Å; A139-T141 PolarHBondContact O-N 3.43Å | ||
| 142 | Y | 89.6 | Confident | 82.4 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | trans | -140.4 | 161.6 | -177.6 | 58.1 | -79.7 | 0 | 0 | 0 | 110.1 | L29 L108 P109 L112 V144 A180 | L29-Y142 HydrophobicContact CD1-CD2 4.25Å; L29-Y142 HydrophobicContact CD1-CE2 4.12Å; L108-Y142 HydrophobicContact CD1-CE2 4.01Å; L108-Y142 WeakPolarHBondContact CD1-OH 3.35Å; L108-Y142 HydrophobicContact CD2-CE2 4.03Å; L108-Y142 HydrophobicContact CG-CE2 4.09Å; L108-Y142 WeakPolarHBondContact CG-OH 3.45Å; P109-Y142 PolarHBondContact O-OH 3.08Å; L112-Y142 HydrophobicContact CD1-CD1 3.67Å; L112-Y142 HydrophobicContact CD1-CE1 3.78Å; L112-Y142 HydrophobicContact CD1-CG 4.29Å; L112-Y142 HydrophobicContact CD2-CE1 4.21Å; L112-Y142 HydrophobicContact CG-CD1 3.86Å; L112-Y142 HydrophobicContact CG-CE1 3.55Å; Y142-V144 HydrophobicContact CD2-CG2 4.21Å; Y142-V144 HydrophobicContact CE2-CG2 3.97Å; Y142-A180 HydrophobicContact CD2-CB 4.08Å; Y142-A180 HydrophobicContact CE2-CB 3.77Å | ||
| 143 | T | 88.9 | Confident | 80.4 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 146.6 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 111 | F145 W179 A180 | T143-F145 VanDerWaalsContact OG1-CE2 3.23Å; T143-F145 WeakPolarHBondContact OG1-CE2 3.29Å; T143-W179 CarbonylContact O-C 3.52Å; T143-W179 WeakPolarHBondContact O-CA 3.23Å; T143-A180 PolarHBondContact O-N 2.84Å |
| 144 | V | 89.6 | Confident | 78.4 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.6 | 179.6 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | L108 Y142 A180 K189 | L108-V144 HydrophobicContact CD2-CB 4.41Å; L108-V144 HydrophobicContact CD2-CG1 3.87Å; L108-V144 HydrophobicContact CD2-CG2 3.61Å; Y142-V144 HydrophobicContact CD2-CG2 4.21Å; Y142-V144 HydrophobicContact CE2-CG2 3.97Å; V144-A180 CarbonylContact C-O 3.42Å; V144-A180 WeakPolarHBondContact CA-O 3.28Å; V144-A180 HydrophobicContact CG1-CB 4.39Å; V144-A180 HydrophobicContact CG2-CB 4.27Å; V144-K189 WeakPolarHBondContact CG2-O 3.38Å |
| 145 | F | 88.1 | Confident | 76.2 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.7 | -177.9 | -62.1 | -77.6 | 0 | 0 | 0 | 110.4 | T143 L154 W179 A180 V181 C182 | T143-F145 VanDerWaalsContact OG1-CE2 3.23Å; T143-F145 WeakPolarHBondContact OG1-CE2 3.29Å; F145-L154 HydrophobicContact CB-CD2 4.14Å; F145-L154 HydrophobicContact CD1-CD2 3.84Å; F145-L154 HydrophobicContact CD2-CD2 3.84Å; F145-L154 HydrophobicContact CE1-CD2 4.15Å; F145-L154 HydrophobicContact CE2-CD2 4.13Å; F145-L154 HydrophobicContact CG-CD2 3.66Å; F145-L154 HydrophobicContact CZ-CD2 4.28Å; F145-W179 HydrophobicContact CD2-CB 4.18Å; F145-W179 HydrophobicContact CD2-CG 4.4Å; F145-W179 HydrophobicContact CE2-CB 3.9Å; F145-W179 HydrophobicContact CE2-CG 4.3Å; F145-A180 PolarHBondContact N-O 3.48Å; F145-V181 CarbonylContact O-C 3.56Å; F145-V181 VanDerWaalsContact O-CA 3.3Å; F145-V181 WeakPolarHBondContact O-CA 3.27Å; F145-C182 PolarHBondContact O-N 3.26Å |
| 146 | P | 87.2 | Confident | 73.9 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | trans | -69.9 | 152.8 | 169.8 | 34.3 | -39.1 | 0 | 0 | 0 | 110 | E148 T149 Y187 I208 | P146-E148 PolarHBondContact O-N 3.24Å; P146-E148 VanDerWaalsContact O-N 3.15Å; P146-T149 HydrophobicContact CG-CG2 3.58Å; P146-T149 PolarHBondContact O-N 2.87Å; P146-T149 PolarHBondContact O-OG1 2.98Å; P146-Y187 HydrophobicContact CB-CD1 3.79Å; P146-Y187 HydrophobicContact CB-CE1 3.84Å; P146-I208 WeakPolarHBondContact CB-O 3.34Å; P146-I208 HydrophobicContact CG-CB 4.45Å; P146-I208 VanDerWaalsContact CG-O 3.27Å; P146-I208 WeakPolarHBondContact CG-O 3.43Å | ||
| 147 | F | 85.1 | Confident | 71.9 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 46% | 0.456 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -52.3 | -39.8 | 179.8 | -177 | -99.7 | 0 | 0 | 0 | 112.7 | T149 G150 C182 R184 | F147-T149 PolarHBondContact O-N 3.22Å; F147-G150 PolarHBondContact O-N 3.22Å; F147-G150 VanDerWaalsContact O-N 3.07Å; F147-C182 WeakPolarHBondContact CB-O 3.01Å; F147-R184 HydrophobicContact CB-CB 4.4Å; F147-R184 HydrophobicContact CD1-CB 3.89Å; F147-R184 HydrophobicContact CD1-CG 3.95Å; F147-R184 HydrophobicContact CE1-CB 4.33Å; F147-R184 HydrophobicContact CE1-CG 4.35Å; F147-R184 HydrophobicContact CG-CB 4.03Å |
| 148 | E | 75.2 | Confident | 70.5 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -71.6 | -14.6 | -171.3 | -61.5 | 79.3 | -161.9 | 0 | 0 | 113.9 | P146 G150 Y187 L373 | P146-E148 PolarHBondContact O-N 3.24Å; P146-E148 VanDerWaalsContact O-N 3.15Å; E148-G150 PolarHBondContact O-N 3.19Å; E148-Y187 VanDerWaalsContact CD-OH 3.26Å; E148-Y187 PolarHBondContact OE1-OH 2.78Å; E148-Y187 WeakPolarHBondContact OE2-CE1 3.01Å; E148-Y187 PolarHBondContact OE2-OH 2.04Å; E148-Y187 VanDerWaalsContact OE2-OH 3.13Å; E148-L373 HydrophobicContact CG-CD1 4.35Å; E148-L373 HydrophobicContact CG-CD2 3.79Å |
| 149 | T | 70.6 | Confident | 69.2 | Low | 40 Ų | 40 | 73.1 Ų | 73.1 | 25% | 0.245 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -78.5 | -5.1 | 172.8 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | P146 F147 G151 | P146-T149 HydrophobicContact CG-CG2 3.58Å; P146-T149 PolarHBondContact O-N 2.87Å; P146-T149 PolarHBondContact O-OG1 2.98Å; F147-T149 PolarHBondContact O-N 3.22Å; T149-G151 PolarHBondContact O-N 2.79Å |
| 150 | G | 51.2 | Low | 68.5 | Low | 45 Ų | 45 | 76.5 Ų | 76.5 | 46% | 0.464 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 36.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | F147 E148 L154 | F147-G150 PolarHBondContact O-N 3.22Å; F147-G150 VanDerWaalsContact O-N 3.07Å; E148-G150 PolarHBondContact O-N 3.19Å; G150-L154 VanDerWaalsContact CA-CD1 3.44Å |
| 151 | G | 47.4 | Very low | 67.9 | Low | 63 Ų | 63 | 80.3 Ų | 80.3 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -34.8 | -180 | 0 | 0 | 0 | 0 | 0 | 116.9 | T149 | T149-G151 PolarHBondContact O-N 2.79Š|
| 152 | S | 47.2 | Very low | 67.7 | Low | 97 Ų | 97 | 80.4 Ų | 80.4 | 68% | 0.678 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.4 | -20 | -174.7 | -56.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 153 | S | 46.1 | Very low | 67.4 | Low | 84 Ų | 84 | 80.1 Ų | 80.1 | 59% | 0.587 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -94.1 | -13.9 | -176.9 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | F155 | S153-F155 PolarHBondContact O-N 3.4Š|
| 154 | L | 48.6 | Very low | 67.2 | Low | 36 Ų | 36 | 79.6 Ų | 79.6 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.6 | 178.7 | -74.7 | 179.7 | 0 | 0 | 0 | 114.1 | F145 G150 V181 | F145-L154 HydrophobicContact CB-CD2 4.14Å; F145-L154 HydrophobicContact CD1-CD2 3.84Å; F145-L154 HydrophobicContact CD2-CD2 3.84Å; F145-L154 HydrophobicContact CE1-CD2 4.15Å; F145-L154 HydrophobicContact CE2-CD2 4.13Å; F145-L154 HydrophobicContact CG-CD2 3.66Å; F145-L154 HydrophobicContact CZ-CD2 4.28Å; G150-L154 VanDerWaalsContact CA-CD1 3.44Å; L154-V181 HydrophobicContact CD1-CG2 4.46Å |
| 155 | F | 45.7 | Very low | 67 | Low | 138 Ų | 138 | 83.8 Ų | 83.8 | 61% | 0.605 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -10.2 | -176 | -72.1 | -76.6 | 0 | 0 | 0 | 114.9 | S153 Y158 | S153-F155 PolarHBondContact O-N 3.4Å; F155-Y158 VanDerWaalsContact O-CE1 3.23Å; F155-Y158 WeakPolarHBondContact O-CE1 3.49Å |
| 156 | Y | 45.2 | Very low | 66.7 | Low | 212 Ų | 212 | 88 Ų | 88 | 83% | 0.831 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -10.2 | -170.6 | -68.5 | -78.7 | 0 | 0 | 0 | 115.2 | ||
| 157 | S | 48.4 | Very low | 66.2 | Low | 87 Ų | 87 | 88.5 Ų | 88.5 | 61% | 0.608 | 47% | 0.469 | S | S | * | . | trans | -138.9 | 47.3 | -175.5 | -162.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 158 | Y | 61.5 | Low | 65.5 | Low | 54 Ų | 54 | 87.7 Ų | 87.7 | 21% | 0.212 | 47% | 0.473 | C | S | . | . | trans | -87.9 | 121.9 | 160.4 | 45 | -95.6 | 0 | 0 | 0 | 108.5 | K32 V34 F155 H160 A177 | K32-Y158 HydrophobicContact CD-CE2 4.43Å; K32-Y158 PolarHBondContact NZ-OH 3.44Å; V34-Y158 HydrophobicContact CG2-CE2 4.49Å; F155-Y158 VanDerWaalsContact O-CE1 3.23Å; F155-Y158 WeakPolarHBondContact O-CE1 3.49Å; Y158-H160 PolarHBondContact O-N 3.47Å; Y158-A177 HydrophobicContact CD2-CB 3.66Å; Y158-A177 HydrophobicContact CE2-CB 4.4Å; Y158-A177 HydrophobicContact CG-CB 4.22Å | ||
| 159 | H | 62.7 | Low | 65.5 | Low | 164 Ų | 164 | 91.6 Ų | 91.6 | 76% | 0.759 | 49% | 0.491 | S | S | * | . | trans | -65.7 | 102.5 | 167.9 | -72.5 | -65 | 0 | 0 | 0 | 107.8 | ||||
| 160 | H | 78 | Confident | 66.1 | Low | 99 Ų | 99 | 90.5 Ų | 90.5 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 138.4 | 166 | 48.7 | -106.7 | 0 | 0 | 0 | 108.5 | V34 Y158 Y175 V176 | V34-H160 HydrophobicContact CG2-CB 4.18Å; Y158-H160 PolarHBondContact O-N 3.47Å; H160-Y175 AromaticContact CD2-CD1 3.5Å; H160-Y175 VanDerWaalsContact CD2-CD1 3.5Å; H160-Y175 WeakPolarHBondContact CD2-CD1 3.06Å; H160-V176 CarbonylContact C-O 3.24Å; H160-V176 WeakPolarHBondContact CA-O 3.45Å |
| 161 | H | 79.8 | Confident | 67.9 | Low | 94 Ų | 94 | 94 Ų | 94 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.3 | 174.2 | -166.2 | 54.7 | 0 | 0 | 0 | 108.5 | Y140 Y175 V176 | Y140-H161 HydrophobicContact CE2-CB 4.47Å; H161-Y175 WeakPolarHBondContact O-CA 3.32Å; H161-V176 PolarHBondContact N-O 3.42Å; H161-V176 PolarHBondContact O-N 2.91Å |
| 162 | E | 85.1 | Confident | 69.9 | Low | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.7 | 168.8 | -173 | -178 | 145.6 | 0 | 0 | 109 | S164 T173 Y175 | E162-S164 PolarHBondContact OE1-OG 3.01Å; E162-S164 VanDerWaalsContact OE1-OG 3.14Å; E162-T173 HydrophobicContact CG-CG2 3.87Å; E162-Y175 HydrophobicContact CB-CD1 3.9Å; E162-Y175 HydrophobicContact CB-CE1 3.46Å; E162-Y175 VanDerWaalsContact CB-CE1 3.46Å; E162-Y175 HydrophobicContact CG-CD1 4.29Å; E162-Y175 HydrophobicContact CG-CE1 3.67Å; E162-Y175 HydrophobicContact CG-CE2 4.05Å; E162-Y175 PolarHBondContact OE2-OH 2.74Å |
| 163 | I | 84.3 | Confident | 72.1 | Confident | 28 Ų | 28 | 87 Ų | 87 | 14% | 0.144 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.7 | 174.6 | -36.6 | -178.6 | 0 | 0 | 0 | 108 | M114 F135 M174 V176 | M114-I163 HydrophobicContact CE-CD1 4.18Å; F135-I163 HydrophobicContact CB-CG2 4.22Å; F135-I163 HydrophobicContact CD1-CB 3.95Å; F135-I163 HydrophobicContact CD1-CG2 3.23Å; F135-I163 HydrophobicContact CE1-CB 4.11Å; F135-I163 HydrophobicContact CE1-CG2 3.74Å; F135-I163 HydrophobicContact CG-CG2 3.97Å; I163-M174 PolarHBondContact N-O 3.37Å; I163-M174 PolarHBondContact O-N 2.79Å; I163-V176 HydrophobicContact CD1-CG2 3.68Å; I163-V176 HydrophobicContact CG1-CG2 4.36Å |
| 164 | S | 84.4 | Confident | 74.2 | Confident | 57 Ų | 57 | 83 Ų | 83 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.2 | -177.2 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | E162 I172 T173 | E162-S164 PolarHBondContact OE1-OG 3.01Å; E162-S164 VanDerWaalsContact OE1-OG 3.14Å; S164-I172 CarbonylContact C-O 3.52Å; S164-I172 WeakPolarHBondContact CA-O 3.35Å; S164-T173 WeakPolarHBondContact OG-CB 3.1Å; S164-T173 VanDerWaalsContact OG-CG2 3.27Å; S164-T173 WeakPolarHBondContact OG-CG2 3.46Å; S164-T173 PolarHBondContact OG-OG1 3.34Å |
| 165 | R | 85 | Confident | 76.3 | Confident | 126 Ų | 126 | 84.2 Ų | 84.2 | 48% | 0.475 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139 | 176.8 | -77.5 | -72.9 | -173.5 | 177.3 | 0 | 110.2 | T133 F135 Y171 I172 | T133-R165 HydrophobicContact CG2-CB 4.46Å; F135-R165 HydrophobicContact CD1-CB 4.27Å; F135-R165 HydrophobicContact CD1-CG 3.42Å; F135-R165 VanDerWaalsContact CD1-CG 3.42Å; F135-R165 HydrophobicContact CE1-CB 3.59Å; F135-R165 HydrophobicContact CE1-CG 3.23Å; F135-R165 HydrophobicContact CZ-CB 4.16Å; F135-R165 HydrophobicContact CZ-CG 4.2Å; R165-Y171 WeakPolarHBondContact O-CA 3.43Å; R165-I172 PolarHBondContact N-O 3.14Å; R165-I172 PolarHBondContact O-N 2.81Å |
| 166 | N | 81.4 | Confident | 78.5 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 77% | 0.765 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 141 | 172.6 | -64.3 | -16.1 | 0 | 0 | 0 | 109.8 | ||
| 167 | I | 77.3 | Confident | 80.6 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 172.2 | 169.8 | 58.9 | 169 | 0 | 0 | 0 | 108.6 | V38 L132 Q169 G170 I172 | V38-I167 HydrophobicContact CG1-CD1 4.41Å; L132-I167 WeakPolarHBondContact O-CG2 3.03Å; I167-Q169 PolarHBondContact O-N 3.43Å; I167-Q169 VanDerWaalsContact O-N 3.08Å; I167-G170 PolarHBondContact N-O 2.89Å; I167-G170 PolarHBondContact O-N 3.44Å; I167-I172 HydrophobicContact CD1-CD1 4.16Å; I167-I172 HydrophobicContact CD1-CG1 3.96Å; I167-I172 HydrophobicContact CG1-CG1 4.39Å; I167-I172 HydrophobicContact CG2-CD1 3.84Å; I167-I172 HydrophobicContact CG2-CG1 3.99Å |
| 168 | T | 70.6 | Confident | 82.7 | Confident | 88 Ų | 88 | 63.9 Ų | 63.9 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 116.8 | 176.5 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | S42 H44 G170 | S42-T168 PolarHBondContact OG-O 3.13Å; H44-T168 PolarHBondContact CD2-OG1 3.35Å; T168-G170 VanDerWaalsContact C-N 3.28Å; T168-G170 PolarHBondContact O-N 3.35Å |
| 169 | Q | 75.2 | Confident | 84.1 | Confident | 142 Ų | 142 | 62.5 Ų | 62.5 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 36.5 | -179.1 | -53.2 | 179.3 | -15.5 | 0 | 0 | 114.2 | S41 I167 | S41-Q169 PolarHBondContact N-O 3.31Å; S41-Q169 WeakPolarHBondContact OG-CB 3.49Å; S41-Q169 PolarHBondContact OG-O 2.68Å; I167-Q169 PolarHBondContact O-N 3.43Å; I167-Q169 VanDerWaalsContact O-N 3.08Å |
| 170 | G | 83.1 | Confident | 85.5 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -177 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S39 I167 T168 | S39-G170 CarbonylContact O-C 3.3Å; S39-G170 WeakPolarHBondContact O-CA 3.38Å; I167-G170 PolarHBondContact N-O 2.89Å; I167-G170 PolarHBondContact O-N 3.44Å; T168-G170 VanDerWaalsContact C-N 3.28Å; T168-G170 PolarHBondContact O-N 3.35Å |
| 171 | Y | 88.7 | Confident | 86.1 | Confident | 119 Ų | 119 | 50.6 Ų | 50.6 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 153.1 | 170.6 | 63.8 | -84.8 | 0 | 0 | 0 | 110.6 | S39 R165 | S39-Y171 PolarHBondContact N-O 3.07Å; S39-Y171 PolarHBondContact O-N 2.83Å; R165-Y171 WeakPolarHBondContact O-CA 3.43Å |
| 172 | I | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.5 | 174.2 | -58.9 | -177.4 | 0 | 0 | 0 | 107.8 | I36 T37 V38 V118 L132 T133 F135 S164 R165 I167 | I36-I172 HydrophobicContact CD1-CG2 3.87Å; I36-I172 HydrophobicContact CG1-CG2 3.99Å; T37-I172 WeakPolarHBondContact O-CA 3.4Å; V38-I172 HydrophobicContact CB-CG1 4.44Å; V38-I172 HydrophobicContact CG1-CD1 4.43Å; V38-I172 HydrophobicContact CG1-CG1 4.11Å; V38-I172 HydrophobicContact CG2-CD1 4.24Å; V38-I172 HydrophobicContact CG2-CG1 4.06Å; V38-I172 HydrophobicContact CG2-CG2 4.24Å; V118-I172 HydrophobicContact CG1-CD1 4.48Å; L132-I172 HydrophobicContact CB-CD1 3.78Å; L132-I172 HydrophobicContact CD1-CD1 4.14Å; T133-I172 HydrophobicContact CG2-CB 4.46Å; T133-I172 HydrophobicContact CG2-CD1 3.92Å; F135-I172 HydrophobicContact CE2-CG2 4.35Å; F135-I172 HydrophobicContact CZ-CB 4.45Å; F135-I172 HydrophobicContact CZ-CG2 4.04Å; S164-I172 CarbonylContact C-O 3.52Å; S164-I172 WeakPolarHBondContact CA-O 3.35Å; R165-I172 PolarHBondContact N-O 3.14Å; R165-I172 PolarHBondContact O-N 2.81Å; I167-I172 HydrophobicContact CD1-CD1 4.16Å; I167-I172 HydrophobicContact CD1-CG1 3.96Å; I167-I172 HydrophobicContact CG1-CG1 4.39Å; I167-I172 HydrophobicContact CG2-CD1 3.84Å; I167-I172 HydrophobicContact CG2-CG1 3.99Å |
| 173 | T | 92.3 | Very high | 86.8 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.1 | 173.4 | -63.6 | 0 | 0 | 0 | 0 | 109 | I36 T37 E162 S164 Y175 | I36-T173 CarbonylContact C-O 3.57Å; I36-T173 WeakPolarHBondContact CA-O 3.32Å; T37-T173 PolarHBondContact N-O 2.94Å; T37-T173 PolarHBondContact O-N 2.86Å; E162-T173 HydrophobicContact CG-CG2 3.87Å; S164-T173 WeakPolarHBondContact OG-CB 3.1Å; S164-T173 VanDerWaalsContact OG-CG2 3.27Å; S164-T173 WeakPolarHBondContact OG-CG2 3.46Å; S164-T173 PolarHBondContact OG-OG1 3.34Å; T173-Y175 HydrophobicContact CG2-CD2 4.14Å; T173-Y175 HydrophobicContact CG2-CE2 3.6Å |
| 174 | M | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.2 | -176.7 | -172.7 | -172.4 | -176.3 | 0 | 0 | 110 | F33 I36 I116 F135 I163 V176 | F33-M174 HydrophobicContact CD1-CE 3.13Å; F33-M174 HydrophobicContact CE1-CE 3.17Å; F33-M174 HydrophobicContact CG-CE 4.34Å; F33-M174 HydrophobicContact CZ-CE 4.41Å; I36-M174 HydrophobicContact CB-CG 4.39Å; I36-M174 HydrophobicContact CD1-CG 4.5Å; I36-M174 HydrophobicContact CG1-CB 4.32Å; I36-M174 HydrophobicContact CG1-CG 4.47Å; I116-M174 HydrophobicContact CD1-CE 4.16Å; I116-M174 HydrophobicContact CD1-SD 4.26Å; I116-M174 HydrophobicContact CG2-CE 4.17Å; I116-M174 HydrophobicContact CG2-SD 4.15Å; F135-M174 HydrophobicContact CD2-SD 4.28Å; F135-M174 HydrophobicContact CE2-CB 4.21Å; F135-M174 HydrophobicContact CE2-SD 4.19Å; F135-M174 HydrophobicContact CZ-CB 4.29Å; I163-M174 PolarHBondContact N-O 3.37Å; I163-M174 PolarHBondContact O-N 2.79Å; M174-V176 HydrophobicContact CE-CG1 3.4Å; M174-V176 VanDerWaalsContact CE-CG1 3.4Å; M174-V176 HydrophobicContact CG-CG1 4.15Å; M174-V176 HydrophobicContact SD-CG1 4.01Å |
| 175 | Y | 92.2 | Very high | 87.2 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.4 | 174.1 | -67.2 | -102.4 | 0 | 0 | 0 | 109.9 | V34 N35 H160 H161 E162 T173 | V34-Y175 WeakPolarHBondContact CB-O 3.08Å; V34-Y175 PolarHBondContact N-O 2.93Å; N35-Y175 PolarHBondContact O-N 3.18Å; N35-Y175 WeakPolarHBondContact OD1-CB 3.31Å; N35-Y175 WeakPolarHBondContact OD1-CD2 3.38Å; H160-Y175 AromaticContact CD2-CD1 3.5Å; H160-Y175 VanDerWaalsContact CD2-CD1 3.5Å; H160-Y175 WeakPolarHBondContact CD2-CD1 3.06Å; H161-Y175 WeakPolarHBondContact O-CA 3.32Å; E162-Y175 HydrophobicContact CB-CD1 3.9Å; E162-Y175 HydrophobicContact CB-CE1 3.46Å; E162-Y175 VanDerWaalsContact CB-CE1 3.46Å; E162-Y175 HydrophobicContact CG-CD1 4.29Å; E162-Y175 HydrophobicContact CG-CE1 3.67Å; E162-Y175 HydrophobicContact CG-CE2 4.05Å; E162-Y175 PolarHBondContact OE2-OH 2.74Å; T173-Y175 HydrophobicContact CG2-CD2 4.14Å; T173-Y175 HydrophobicContact CG2-CE2 3.6Å |
| 176 | V | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149 | 178 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | K32 I116 H160 H161 I163 M174 | K32-V176 WeakPolarHBondContact O-CA 3.22Å; I116-V176 HydrophobicContact CD1-CG1 4.04Å; H160-V176 CarbonylContact C-O 3.24Å; H160-V176 WeakPolarHBondContact CA-O 3.45Å; H161-V176 PolarHBondContact N-O 3.42Å; H161-V176 PolarHBondContact O-N 2.91Å; I163-V176 HydrophobicContact CD1-CG2 3.68Å; I163-V176 HydrophobicContact CG1-CG2 4.36Å; M174-V176 HydrophobicContact CE-CG1 3.4Å; M174-V176 VanDerWaalsContact CE-CG1 3.4Å; M174-V176 HydrophobicContact CG-CG1 4.15Å; M174-V176 HydrophobicContact SD-CG1 4.01Å |
| 177 | A | 90.4 | Very high | 88 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L31 K32 Y158 W179 | L31-A177 CarbonylContact C-O 3.57Å; L31-A177 WeakPolarHBondContact CA-O 3.13Å; K32-A177 HydrophobicContact CB-CB 4.37Å; K32-A177 PolarHBondContact N-O 2.88Å; K32-A177 PolarHBondContact O-N 3.45Å; Y158-A177 HydrophobicContact CD2-CB 3.66Å; Y158-A177 HydrophobicContact CE2-CB 4.4Å; Y158-A177 HydrophobicContact CG-CB 4.22Å; A177-W179 HydrophobicContact CB-CE3 4.32Å; A177-W179 HydrophobicContact CB-CZ3 4.1Å |
| 178 | V | 91.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | L29 Y30 L31 L112 M114 Y140 | L29-V178 HydrophobicContact CD1-CG1 3.95Å; Y30-V178 WeakPolarHBondContact O-CA 3.32Å; Y30-V178 WeakPolarHBondContact O-CG1 3.27Å; L31-V178 HydrophobicContact CB-CG2 4.39Å; L31-V178 HydrophobicContact CD1-CG2 3.97Å; L31-V178 HydrophobicContact CG-CG2 4.06Å; L112-V178 HydrophobicContact CD1-CG1 3.95Å; M114-V178 HydrophobicContact SD-CG2 4.18Å; Y140-V178 HydrophobicContact CE1-CB 3.73Å; Y140-V178 HydrophobicContact CE1-CG1 4.39Å; Y140-V178 HydrophobicContact CE1-CG2 3.96Å |
| 179 | W | 91.4 | Very high | 89.5 | Confident | 25 Ų | 25 | 43 Ų | 43 | 10% | 0.095 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 160.7 | 175.7 | 68.6 | 96.9 | 0 | 0 | 0 | 110.2 | Y30 K32 P100 T143 F145 A177 | Y30-W179 HydrophobicContact CD1-CZ2 4.19Å; Y30-W179 AromaticContact CD2-CD1 3.99Å; Y30-W179 AromaticContact CD2-NE1 3.49Å; Y30-W179 AromaticContact CG-CE2 3.75Å; Y30-W179 AromaticContact CG-CZ2 3.84Å; Y30-W179 HydrophobicContact CG-CZ2 3.84Å; Y30-W179 AromaticContact CG-NE1 3.7Å; Y30-W179 PolarHBondContact N-O 3.41Å; Y30-W179 PolarHBondContact O-N 3.05Å; Y30-W179 VanDerWaalsContact O-N 3.14Å; K32-W179 HydrophobicContact CB-CH2 3.99Å; K32-W179 HydrophobicContact CB-CZ3 3.76Å; K32-W179 HydrophobicContact CD-CH2 4.48Å; P100-W179 HydrophobicContact CB-CH2 3.85Å; P100-W179 HydrophobicContact CB-CZ2 4.38Å; P100-W179 HydrophobicContact CG-CH2 4Å; P100-W179 HydrophobicContact CG-CZ2 4.21Å; T143-W179 CarbonylContact O-C 3.52Å; T143-W179 WeakPolarHBondContact O-CA 3.23Å; F145-W179 HydrophobicContact CD2-CB 4.18Å; F145-W179 HydrophobicContact CD2-CG 4.4Å; F145-W179 HydrophobicContact CE2-CB 3.9Å; F145-W179 HydrophobicContact CE2-CG 4.3Å; A177-W179 HydrophobicContact CB-CE3 4.32Å; A177-W179 HydrophobicContact CB-CZ3 4.1Å |
| 180 | A | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 147.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T28 L29 L108 Y142 T143 V144 F145 | T28-A180 CarbonylContact O-C 3.57Å; T28-A180 WeakPolarHBondContact O-CA 3.46Å; L29-A180 HydrophobicContact CD1-CB 4.18Å; L108-A180 HydrophobicContact CD1-CB 3.71Å; L108-A180 HydrophobicContact CD2-CB 3.84Å; L108-A180 HydrophobicContact CG-CB 4.43Å; Y142-A180 HydrophobicContact CD2-CB 4.08Å; Y142-A180 HydrophobicContact CE2-CB 3.77Å; T143-A180 PolarHBondContact O-N 2.84Å; V144-A180 CarbonylContact C-O 3.42Å; V144-A180 WeakPolarHBondContact CA-O 3.28Å; V144-A180 HydrophobicContact CG1-CB 4.39Å; V144-A180 HydrophobicContact CG2-CB 4.27Å; F145-A180 PolarHBondContact N-O 3.48Å |
| 181 | V | 90.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 9% | 0.085 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.4 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | A27 T28 Y30 F145 L154 | A27-V181 CarbonylContact C-O 3.52Å; A27-V181 WeakPolarHBondContact CA-O 3.39Å; T28-V181 PolarHBondContact N-O 3.28Å; T28-V181 PolarHBondContact O-N 3.45Å; Y30-V181 HydrophobicContact CD2-CG2 4.02Å; Y30-V181 HydrophobicContact CE2-CB 4.01Å; Y30-V181 HydrophobicContact CE2-CG2 3.66Å; F145-V181 CarbonylContact O-C 3.56Å; F145-V181 VanDerWaalsContact O-CA 3.3Å; F145-V181 WeakPolarHBondContact O-CA 3.27Å; L154-V181 HydrophobicContact CD1-CG2 4.46Å |
| 182 | C | 91.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 150.2 | 173.6 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | F145 F147 S186 C191 | F145-C182 PolarHBondContact O-N 3.26Å; F147-C182 WeakPolarHBondContact CB-O 3.01Å; C182-S186 WeakPolarHBondContact CB-O 3.15Å; C182-C191 WeakPolarHBondContact CA-SG 3.45Å; C182-C191 HydrophobicContact CB-CB 3.73Å; C182-C191 WeakPolarHBondContact CB-SG 3.14Å; C182-C191 VanDerWaalsContact SG-CA 3.53Å; C182-C191 WeakPolarHBondContact SG-CB 3.45Å; C182-C191 CovalentContact SG-SG 2.04Å; C182-C191 PolarHBondContact SG-SG 3.43Å |
| 183 | N | 89.4 | Confident | 90.9 | Very high | 61 Ų | 61 | 38.8 Ų | 38.8 | 33% | 0.326 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 162.4 | 168.9 | -83.2 | -0.7 | 0 | 0 | 0 | 111.5 | Y26 G185 S186 | Y26-N183 WeakPolarHBondContact CB-ND2 3.24Å; Y26-N183 VanDerWaalsContact O-CB 3.23Å; Y26-N183 WeakPolarHBondContact O-CB 3.19Å; Y26-N183 PolarHBondContact O-N 2.85Å; N183-G185 PolarHBondContact O-N 3.44Å; N183-S186 WeakPolarHBondContact O-CB 3.11Å; N183-S186 PolarHBondContact O-N 3.44Å |
| 184 | R | 88.3 | Confident | 90.8 | Very high | 204 Ų | 204 | 42.4 Ų | 42.4 | 77% | 0.77 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 128.7 | -179.7 | -170.5 | 176 | -175 | 173 | 1.7 | 111.2 | F147 S186 | F147-R184 HydrophobicContact CB-CB 4.4Å; F147-R184 HydrophobicContact CD1-CB 3.89Å; F147-R184 HydrophobicContact CD1-CG 3.95Å; F147-R184 HydrophobicContact CE1-CB 4.33Å; F147-R184 HydrophobicContact CE1-CG 4.35Å; F147-R184 HydrophobicContact CG-CB 4.03Å; R184-S186 VanDerWaalsContact C-N 3.28Å |
| 185 | G | 88.9 | Confident | 90.9 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 9.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N183 S194 C195 | N183-G185 PolarHBondContact O-N 3.44Å; G185-S194 CarbonylContact O-C 3.22Å; G185-S194 VanDerWaalsContact O-CA 3.3Å; G185-S194 WeakPolarHBondContact O-CA 3.09Å; G185-C195 VanDerWaalsContact CA-O 3.28Å; G185-C195 WeakPolarHBondContact CA-O 3.32Å; G185-C195 PolarHBondContact O-N 3.36Å |
| 186 | S | 91.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 44 Ų | 44 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.5 | 172 | -73.1 | 0 | 0 | 0 | 0 | 110.6 | C182 N183 R184 C191 V193 | C182-S186 WeakPolarHBondContact CB-O 3.15Å; N183-S186 WeakPolarHBondContact O-CB 3.11Å; N183-S186 PolarHBondContact O-N 3.44Å; R184-S186 VanDerWaalsContact C-N 3.28Å; S186-C191 WeakPolarHBondContact CB-O 3.46Å; S186-V193 CarbonylContact C-O 3.5Å; S186-V193 WeakPolarHBondContact CA-O 3.28Å |
| 187 | Y | 91.4 | Very high | 91 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 175.2 | -170.9 | -57.8 | -86.9 | 0 | 0 | 0 | 111.8 | P146 E148 C191 S192 V193 C195 C206 G211 | P146-Y187 HydrophobicContact CB-CD1 3.79Å; P146-Y187 HydrophobicContact CB-CE1 3.84Å; E148-Y187 VanDerWaalsContact CD-OH 3.26Å; E148-Y187 PolarHBondContact OE1-OH 2.78Å; E148-Y187 WeakPolarHBondContact OE2-CE1 3.01Å; E148-Y187 PolarHBondContact OE2-OH 2.04Å; E148-Y187 VanDerWaalsContact OE2-OH 3.13Å; Y187-C191 CarbonylContact O-C 3.52Å; Y187-C191 VanDerWaalsContact O-C 3.25Å; Y187-C191 WeakPolarHBondContact O-CA 3.01Å; Y187-S192 PolarHBondContact O-N 2.93Å; Y187-V193 PolarHBondContact N-O 2.85Å; Y187-V193 PolarHBondContact O-N 3.01Å; Y187-V193 VanDerWaalsContact O-N 3.14Å; Y187-C195 HydrophobicContact CD2-CB 3.89Å; Y187-C195 HydrophobicContact CE2-CB 3.81Å; Y187-C195 WeakPolarHBondContact CE2-O 3.02Å; Y187-C206 HydrophobicContact CE2-CB 4.11Å; Y187-G211 VanDerWaalsContact CB-N 3.34Å; Y187-G211 VanDerWaalsContact CG-CA 3.49Å |
| 188 | G | 89.5 | Confident | 91 | Very high | 15 Ų | 15 | 49 Ų | 49 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 88.5 | 174 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D190 C191 | G188-D190 PolarHBondContact O-N 3.19Å; G188-C191 PolarHBondContact O-N 2.87Å |
| 189 | K | 89.2 | Confident | 90.8 | Very high | 193 Ų | 193 | 52.6 Ų | 52.6 | 84% | 0.839 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17 | -173.6 | -65.2 | -177.6 | 179.4 | 179.2 | 0 | 114 | V144 | V144-K189 WeakPolarHBondContact CG2-O 3.38Š|
| 190 | D | 91 | Very high | 90.6 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 10.5 | 179.7 | 63.7 | -9.9 | 0 | 0 | 0 | 112.2 | G188 S192 | G188-D190 PolarHBondContact O-N 3.19Å; D190-S192 PolarHBondContact O-N 2.91Å; D190-S192 VanDerWaalsContact O-N 3.12Å; D190-S192 VanDerWaalsContact OD1-CB 3.23Å; D190-S192 WeakPolarHBondContact OD1-CB 3.49Å; D190-S192 PolarHBondContact OD1-N 2.85Å; D190-S192 VanDerWaalsContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 3.1Å; D190-S192 PolarHBondContact OD2-OG 2.96Å |
| 191 | C | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 58 | 16.2 | -175.6 | -53.6 | 0 | 0 | 0 | 0 | 114.9 | G25 A27 C182 S186 Y187 G188 V193 | G25-C191 WeakPolarHBondContact CA-O 3.15Å; A27-C191 HydrophobicContact CB-CB 4.32Å; C182-C191 WeakPolarHBondContact CA-SG 3.45Å; C182-C191 HydrophobicContact CB-CB 3.73Å; C182-C191 WeakPolarHBondContact CB-SG 3.14Å; C182-C191 VanDerWaalsContact SG-CA 3.53Å; C182-C191 WeakPolarHBondContact SG-CB 3.45Å; C182-C191 CovalentContact SG-SG 2.04Å; C182-C191 PolarHBondContact SG-SG 3.43Å; S186-C191 WeakPolarHBondContact CB-O 3.46Å; Y187-C191 CarbonylContact O-C 3.52Å; Y187-C191 VanDerWaalsContact O-C 3.25Å; Y187-C191 WeakPolarHBondContact O-CA 3.01Å; G188-C191 PolarHBondContact O-N 2.87Å; C191-V193 PolarHBondContact O-N 3.11Å |
| 192 | S | 90.8 | Very high | 90.4 | Very high | 62 Ų | 62 | 72.7 Ų | 72.7 | 43% | 0.434 | 36% | 0.359 | S | S | . | . | trans | -76.7 | -19.5 | -174.8 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | Y187 D190 S194 | Y187-S192 PolarHBondContact O-N 2.93Å; D190-S192 PolarHBondContact O-N 2.91Å; D190-S192 VanDerWaalsContact O-N 3.12Å; D190-S192 VanDerWaalsContact OD1-CB 3.23Å; D190-S192 WeakPolarHBondContact OD1-CB 3.49Å; D190-S192 PolarHBondContact OD1-N 2.85Å; D190-S192 VanDerWaalsContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 3.1Å; D190-S192 PolarHBondContact OD2-OG 2.96Å; S192-S194 PolarHBondContact O-N 2.9Å | ||
| 193 | V | 91.5 | Very high | 90.4 | Very high | 56 Ų | 56 | 73.8 Ų | 73.8 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.6 | -175.9 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | S186 Y187 C191 | S186-V193 CarbonylContact C-O 3.5Å; S186-V193 WeakPolarHBondContact CA-O 3.28Å; Y187-V193 PolarHBondContact N-O 2.85Å; Y187-V193 PolarHBondContact O-N 3.01Å; Y187-V193 VanDerWaalsContact O-N 3.14Å; C191-V193 PolarHBondContact O-N 3.11Å |
| 194 | S | 91.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 71.4 Ų | 71.4 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.6 | 173.7 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | G185 S192 | G185-S194 CarbonylContact O-C 3.22Å; G185-S194 VanDerWaalsContact O-CA 3.3Å; G185-S194 WeakPolarHBondContact O-CA 3.09Å; S192-S194 PolarHBondContact O-N 2.9Å |
| 195 | C | 93.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | trans | -144.1 | 133.6 | 174.5 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | G185 Y187 C206 G211 | G185-C195 VanDerWaalsContact CA-O 3.28Å; G185-C195 WeakPolarHBondContact CA-O 3.32Å; G185-C195 PolarHBondContact O-N 3.36Å; Y187-C195 HydrophobicContact CD2-CB 3.89Å; Y187-C195 HydrophobicContact CE2-CB 3.81Å; Y187-C195 WeakPolarHBondContact CE2-O 3.02Å; C195-C206 HydrophobicContact CB-CB 3.74Å; C195-C206 WeakPolarHBondContact CB-SG 3.39Å; C195-C206 VanDerWaalsContact SG-CA 3.56Å; C195-C206 WeakPolarHBondContact SG-CB 3.21Å; C195-C206 CovalentContact SG-SG 2.03Å; C195-C206 PolarHBondContact SG-SG 2.98Å; C195-G211 WeakPolarHBondContact CB-O 3.28Å | ||
| 196 | V | 92.1 | Very high | 91.1 | Very high | 90 Ų | 90 | 61.4 Ų | 61.4 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | trans | -130.1 | 125.7 | 170.4 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | Y204 | V196-Y204 WeakPolarHBondContact O-CE2 3.02Å; V196-Y204 PolarHBondContact O-OH 2.93Å | ||
| 197 | P | 93.1 | Very high | 91.2 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | trans | -57.6 | 143.5 | -179.3 | -24.8 | 34.1 | 0 | 0 | 0 | 112.3 | Y204 L373 P375 | P197-Y204 WeakPolarHBondContact CA-O 3.37Å; P197-L373 HydrophobicContact CG-CB 4.48Å; P197-L373 HydrophobicContact CG-CD2 3.94Å; P197-L373 HydrophobicContact CG-CG 4.04Å; P197-L373 WeakPolarHBondContact CG-O 3.46Å; P197-P375 HydrophobicContact CB-CB 4.22Å; P197-P375 HydrophobicContact CB-CG 3.74Å | ||
| 198 | Q | 91.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -136.7 | 150 | -179.9 | -65.3 | -170.9 | -7.2 | 0 | 0 | 111.9 | R202 H203 Y204 P375 | Q198-R202 CarbonylContact C-O 3.59Å; Q198-R202 HydrophobicContact CB-CB 4.34Å; Q198-R202 VanDerWaalsContact CB-O 3.29Å; Q198-R202 WeakPolarHBondContact CB-O 3.09Å; Q198-H203 WeakPolarHBondContact O-CA 3.01Å; Q198-Y204 HydrophobicContact CB-CE1 4.08Å; Q198-Y204 HydrophobicContact CG-CE1 4.25Å; Q198-Y204 PolarHBondContact N-O 2.81Å; Q198-Y204 PolarHBondContact O-N 3.37Å; Q198-Y204 VanDerWaalsContact O-O 3.12Å; Q198-P375 VanDerWaalsContact O-CG 3.27Å; Q198-P375 WeakPolarHBondContact O-CG 3.38Å |
| 199 | Q | 86.9 | Confident | 91 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -137.4 | -5.9 | 176.3 | -162.5 | 176.1 | -3.3 | 0 | 0 | 114.9 | R202 H203 I216 P375 D376 | Q199-R202 CarbonylContact C-O 3.5Å; Q199-R202 VanDerWaalsContact CA-O 3.28Å; Q199-R202 WeakPolarHBondContact CA-O 3.35Å; Q199-R202 PolarHBondContact N-O 3.33Å; Q199-R202 VanDerWaalsContact N-O 3.1Å; Q199-H203 PolarHBondContact O-CE1 3.44Å; Q199-H203 PolarHBondContact O-ND1 2.04Å; Q199-I216 HydrophobicContact CG-CD1 4.07Å; Q199-P375 HydrophobicContact CB-CB 4.04Å; Q199-P375 HydrophobicContact CB-CG 4.12Å; Q199-D376 PolarHBondContact OE1-O 3.13Å |
| 200 | R | 85.4 | Confident | 91.1 | Very high | 240 Ų | 240 | 59.7 Ų | 59.7 | 91% | 0.906 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -90.2 | -56.5 | -174.8 | -72.5 | -170.5 | 179.5 | -174 | -0.3 | 113.7 | ||
| 201 | I | 87.2 | Confident | 91.2 | Very high | 138 Ų | 138 | 56.3 Ų | 56.3 | 71% | 0.708 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -105.8 | -32.3 | -176.7 | -58.5 | 172 | 0 | 0 | 0 | 110.3 | ||
| 202 | R | 91 | Very high | 91.3 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -127.7 | 143.7 | 175.6 | -56 | -176.4 | -177.5 | -179.3 | 2.2 | 106.6 | Q198 Q199 Y204 E223 | Q198-R202 CarbonylContact C-O 3.59Å; Q198-R202 HydrophobicContact CB-CB 4.34Å; Q198-R202 VanDerWaalsContact CB-O 3.29Å; Q198-R202 WeakPolarHBondContact CB-O 3.09Å; Q199-R202 CarbonylContact C-O 3.5Å; Q199-R202 VanDerWaalsContact CA-O 3.28Å; Q199-R202 WeakPolarHBondContact CA-O 3.35Å; Q199-R202 PolarHBondContact N-O 3.33Å; Q199-R202 VanDerWaalsContact N-O 3.1Å; R202-Y204 HydrophobicContact CB-CD1 3.67Å; R202-Y204 HydrophobicContact CB-CE1 3.53Å; R202-Y204 HydrophobicContact CG-CE1 4.34Å; R202-E223 WeakPolarHBondContact CB-O 3.18Å; R202-E223 WeakPolarHBondContact CG-O 3.29Å; R202-E223 IonicContact CZ-OE2 3.18Å; R202-E223 IonicContact NE-OE2 3.58Å; R202-E223 IonicContact NH1-OE1 3.85Å; R202-E223 IonicContact NH1-OE2 3.75Å; R202-E223 PolarHBondContact NH1-OE2 2.92Å |
| 203 | H | 92.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 61 Ų | 61 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | trans | -121.1 | 78.3 | -169.1 | -58.6 | -89.5 | 0 | 0 | 0 | 108.9 | Q198 Q199 C215 I216 W219 C224 | Q198-H203 WeakPolarHBondContact O-CA 3.01Å; Q199-H203 PolarHBondContact O-CE1 3.44Å; Q199-H203 PolarHBondContact O-ND1 2.04Å; H203-C215 WeakPolarHBondContact O-CA 3.39Å; H203-I216 HydrophobicContact CB-CB 4.2Å; H203-I216 HydrophobicContact CB-CD1 4.1Å; H203-I216 HydrophobicContact CB-CG1 4.46Å; H203-I216 PolarHBondContact O-N 2.91Å; H203-W219 HydrophobicContact CB-CB 3.93Å; H203-W219 VanDerWaalsContact CB-CD1 3.47Å; H203-W219 HydrophobicContact CB-CD2 3.59Å; H203-W219 HydrophobicContact CB-CE3 4.3Å; H203-W219 HydrophobicContact CB-CG 3.36Å; H203-W219 AromaticContact CD2-CD2 3.31Å; H203-W219 AromaticContact CD2-CE2 3.4Å; H203-W219 VanDerWaalsContact CD2-CE2 3.4Å; H203-W219 AromaticContact CD2-CE3 3.28Å; H203-W219 AromaticContact CD2-CH2 3.45Å; H203-W219 VanDerWaalsContact CD2-CH2 3.45Å; H203-W219 WeakPolarHBondContact CD2-CH2 3.3Å; H203-W219 AromaticContact CD2-CZ2 3.49Å; H203-W219 VanDerWaalsContact CD2-CZ2 3.49Å; H203-W219 WeakPolarHBondContact CD2-CZ2 3.26Å; H203-W219 AromaticContact CD2-CZ3 3.35Å; H203-W219 WeakPolarHBondContact CD2-CZ3 3.5Å; H203-W219 AromaticContact CE1-CE2 3.83Å; H203-W219 AromaticContact CE1-CH2 3.76Å; H203-W219 AromaticContact CE1-CZ2 3.43Å; H203-W219 VanDerWaalsContact CE1-CZ2 3.43Å; H203-W219 WeakPolarHBondContact CE1-CZ2 3.39Å; H203-W219 AromaticContact CG-CD1 3.88Å; H203-W219 AromaticContact CG-CD2 3.41Å; H203-W219 VanDerWaalsContact CG-CD2 3.41Å; H203-W219 AromaticContact CG-CE2 3.3Å; H203-W219 AromaticContact CG-CE3 3.9Å; H203-W219 AromaticContact CG-CG 3.78Å; H203-W219 AromaticContact CG-CZ2 3.72Å; H203-W219 AromaticContact CG-NE1 3.59Å; H203-W219 AromaticContact ND1-CE2 3.58Å; H203-W219 AromaticContact ND1-CZ2 3.67Å; H203-W219 AromaticContact ND1-NE1 3.75Å; H203-W219 AromaticContact NE2-CE2 3.77Å; H203-W219 AromaticContact NE2-CE3 3.96Å; H203-W219 AromaticContact NE2-CH2 3.19Å; H203-W219 WeakPolarHBondContact NE2-CH2 3.36Å; H203-W219 AromaticContact NE2-CZ2 3.34Å; H203-W219 VanDerWaalsContact NE2-CZ2 3.34Å; H203-W219 WeakPolarHBondContact NE2-CZ2 3.27Å; H203-W219 AromaticContact NE2-CZ3 3.53Å; H203-C224 PolarHBondContact N-O 2.8Å; H203-C224 WeakPolarHBondContact O-CB 3.39Å | ||
| 204 | Y | 94.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 152.8 | -176.4 | 68 | -100.4 | 0 | 0 | 0 | 113 | V196 P197 Q198 R202 R213 V214 C224 | V196-Y204 WeakPolarHBondContact O-CE2 3.02Å; V196-Y204 PolarHBondContact O-OH 2.93Å; P197-Y204 WeakPolarHBondContact CA-O 3.37Å; Q198-Y204 HydrophobicContact CB-CE1 4.08Å; Q198-Y204 HydrophobicContact CG-CE1 4.25Å; Q198-Y204 PolarHBondContact N-O 2.81Å; Q198-Y204 PolarHBondContact O-N 3.37Å; Q198-Y204 VanDerWaalsContact O-O 3.12Å; R202-Y204 HydrophobicContact CB-CD1 3.67Å; R202-Y204 HydrophobicContact CB-CE1 3.53Å; R202-Y204 HydrophobicContact CG-CE1 4.34Å; Y204-R213 HydrophobicContact CD2-CB 3.97Å; Y204-R213 HydrophobicContact CD2-CG 3.84Å; Y204-R213 HydrophobicContact CE2-CG 3.88Å; Y204-R213 HydrophobicContact CG-CB 4.06Å; Y204-R213 HydrophobicContact CG-CG 4.22Å; Y204-V214 CarbonylContact C-O 3.57Å; Y204-V214 WeakPolarHBondContact CA-O 3.36Å; Y204-V214 VanDerWaalsContact CB-O 3.32Å; Y204-V214 WeakPolarHBondContact CB-O 3.49Å; Y204-C224 HydrophobicContact CD1-CB 4.23Å |
| 205 | G | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 177.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V214 L373 | G205-V214 PolarHBondContact N-O 3.44Å; G205-V214 PolarHBondContact O-N 2.67Å; G205-L373 CarbonylContact C-O 3.46Å; G205-L373 WeakPolarHBondContact CA-O 3.49Å |
| 206 | C | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.1 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 110 | Y187 C195 I208 T372 L373 | Y187-C206 HydrophobicContact CE2-CB 4.11Å; C195-C206 HydrophobicContact CB-CB 3.74Å; C195-C206 WeakPolarHBondContact CB-SG 3.39Å; C195-C206 VanDerWaalsContact SG-CA 3.56Å; C195-C206 WeakPolarHBondContact SG-CB 3.21Å; C195-C206 CovalentContact SG-SG 2.03Å; C195-C206 PolarHBondContact SG-SG 2.98Å; C206-I208 PolarHBondContact O-N 3.09Å; C206-T372 CarbonylContact O-C 2.97Å; C206-T372 WeakPolarHBondContact O-CA 3.36Å; C206-L373 PolarHBondContact N-O 2.78Å; C206-L373 PolarHBondContact O-N 2.88Å |
| 207 | D | 93 | Very high | 90.9 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 121.5 | 168.4 | 172.5 | -6.9 | 0 | 0 | 0 | 108.7 | S209 T210 G211 A212 V214 P370 | D207-S209 PolarHBondContact O-N 2.91Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 3.49Å; D207-S209 PolarHBondContact OD1-OG 3.07Å; D207-S209 PolarHBondContact OD2-OG 3.49Å; D207-T210 WeakPolarHBondContact CB-OG1 3.45Å; D207-T210 PolarHBondContact OD2-OG1 2.62Å; D207-G211 VanDerWaalsContact O-CA 3.27Å; D207-G211 WeakPolarHBondContact O-CA 3.29Å; D207-G211 PolarHBondContact O-N 3.14Å; D207-A212 HydrophobicContact CB-CB 4.39Å; D207-A212 PolarHBondContact N-O 3Å; D207-V214 HydrophobicContact CB-CG2 4Å; D207-P370 HydrophobicContact CB-CG 4.29Å |
| 208 | I | 88.9 | Confident | 90.3 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 19% | 0.185 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.5 | -174.4 | 68.9 | -178.6 | 0 | 0 | 0 | 112.6 | P146 C206 P371 L373 | P146-I208 WeakPolarHBondContact CB-O 3.34Å; P146-I208 HydrophobicContact CG-CB 4.45Å; P146-I208 VanDerWaalsContact CG-O 3.27Å; P146-I208 WeakPolarHBondContact CG-O 3.43Å; C206-I208 PolarHBondContact O-N 3.09Å; I208-P371 HydrophobicContact CD1-CB 3.43Å; I208-P371 VanDerWaalsContact CD1-CB 3.43Å; I208-P371 HydrophobicContact CG1-CB 3.83Å; I208-P371 WeakPolarHBondContact CG1-O 3.26Å; I208-P371 PolarHBondContact N-O 3.08Å; I208-L373 HydrophobicContact CG2-CB 4.25Å |
| 209 | S | 87.3 | Confident | 90.1 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -42.7 | -177.5 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | D207 | D207-S209 PolarHBondContact O-N 2.91Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 3.49Å; D207-S209 PolarHBondContact OD1-OG 3.07Å; D207-S209 PolarHBondContact OD2-OG 3.49Å |
| 210 | T | 92.5 | Very high | 90.1 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -23.2 | -172.6 | 64.5 | 0 | 0 | 0 | 0 | 113.9 | D207 A212 | D207-T210 WeakPolarHBondContact CB-OG1 3.45Å; D207-T210 PolarHBondContact OD2-OG1 2.62Å; T210-A212 VanDerWaalsContact OG1-CB 3.26Å; T210-A212 WeakPolarHBondContact OG1-CB 3.35Å; T210-A212 PolarHBondContact OG1-N 2.97Å; T210-A212 VanDerWaalsContact OG1-N 3.11Å |
| 211 | G | 91.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | 76 | 5.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y187 C195 D207 | Y187-G211 VanDerWaalsContact CB-N 3.34Å; Y187-G211 VanDerWaalsContact CG-CA 3.49Å; C195-G211 WeakPolarHBondContact CB-O 3.28Å; D207-G211 VanDerWaalsContact O-CA 3.27Å; D207-G211 WeakPolarHBondContact O-CA 3.29Å; D207-G211 PolarHBondContact O-N 3.14Å | ||
| 212 | A | 93.7 | Very high | 90.1 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | trans | -60.7 | 142.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | D207 T210 V214 | D207-A212 HydrophobicContact CB-CB 4.39Å; D207-A212 PolarHBondContact N-O 3Å; T210-A212 VanDerWaalsContact OG1-CB 3.26Å; T210-A212 WeakPolarHBondContact OG1-CB 3.35Å; T210-A212 PolarHBondContact OG1-N 2.97Å; T210-A212 VanDerWaalsContact OG1-N 3.11Å; A212-V214 PolarHBondContact O-N 3.27Å | ||
| 213 | R | 94.9 | Very high | 90.1 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 42% | 0.423 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.7 | 174.9 | -61.3 | 177.7 | -166.6 | 140.2 | -0 | 108.7 | Y204 E223 | Y204-R213 HydrophobicContact CD2-CB 3.97Å; Y204-R213 HydrophobicContact CD2-CG 3.84Å; Y204-R213 HydrophobicContact CE2-CG 3.88Å; Y204-R213 HydrophobicContact CG-CB 4.06Å; Y204-R213 HydrophobicContact CG-CG 4.22Å; R213-E223 IonicContact CZ-OE1 2.9Å; R213-E223 IonicContact CZ-OE2 3.58Å; R213-E223 IonicContact NH1-OE1 2.75Å; R213-E223 PolarHBondContact NH1-OE1 2.85Å; R213-E223 IonicContact NH1-OE2 3.95Å; R213-E223 PolarHBondContact NH1-OE2 2.96Å |
| 214 | V | 93.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 13% | 0.127 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | Y204 G205 D207 A212 I216 T369 P370 T372 W374 | Y204-V214 CarbonylContact C-O 3.57Å; Y204-V214 WeakPolarHBondContact CA-O 3.36Å; Y204-V214 VanDerWaalsContact CB-O 3.32Å; Y204-V214 WeakPolarHBondContact CB-O 3.49Å; G205-V214 PolarHBondContact N-O 3.44Å; G205-V214 PolarHBondContact O-N 2.67Å; D207-V214 HydrophobicContact CB-CG2 4Å; A212-V214 PolarHBondContact O-N 3.27Å; V214-I216 PolarHBondContact O-N 2.88Å; V214-T369 HydrophobicContact CG1-CG2 3.56Å; V214-P370 HydrophobicContact CG2-CG 4.05Å; V214-T372 HydrophobicContact CB-CG2 3.92Å; V214-T372 HydrophobicContact CG1-CG2 4.38Å; V214-T372 HydrophobicContact CG2-CG2 4.24Å; V214-W374 HydrophobicContact CB-CH2 4.31Å; V214-W374 HydrophobicContact CG1-CH2 3.76Å; V214-W374 HydrophobicContact CG1-CZ2 4.29Å; V214-W374 WeakPolarHBondContact O-CZ3 3.19Å |
| 215 | C | 92.4 | Very high | 89.8 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 25% | 0.25 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 139.3 | -178.1 | -55.4 | 0 | 0 | 0 | 0 | 111 | H203 W219 C224 | H203-C215 WeakPolarHBondContact O-CA 3.39Å; C215-W219 HydrophobicContact CB-CB 4.34Å; C215-W219 VanDerWaalsContact CB-O 3.27Å; C215-W219 WeakPolarHBondContact CB-O 3.1Å; C215-C224 WeakPolarHBondContact CA-SG 3.46Å; C215-C224 HydrophobicContact CB-CB 3.69Å; C215-C224 WeakPolarHBondContact CB-SG 3.4Å; C215-C224 VanDerWaalsContact SG-CA 3.58Å; C215-C224 WeakPolarHBondContact SG-CB 3.49Å; C215-C224 CovalentContact SG-SG 2.04Å; C215-C224 PolarHBondContact SG-SG 3.17Å |
| 216 | I | 89.1 | Confident | 89.5 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | trans | -58.4 | 131.8 | 168.8 | -71.8 | 173.7 | 0 | 0 | 0 | 107.7 | Q199 H203 V214 G218 W219 W374 P375 Y378 | Q199-I216 HydrophobicContact CG-CD1 4.07Å; H203-I216 HydrophobicContact CB-CB 4.2Å; H203-I216 HydrophobicContact CB-CD1 4.1Å; H203-I216 HydrophobicContact CB-CG1 4.46Å; H203-I216 PolarHBondContact O-N 2.91Å; V214-I216 PolarHBondContact O-N 2.88Å; I216-G218 PolarHBondContact O-N 2.59Å; I216-W219 WeakPolarHBondContact O-CB 3.36Å; I216-W219 PolarHBondContact O-N 3.02Å; I216-W374 HydrophobicContact CB-CZ3 4.37Å; I216-W374 HydrophobicContact CG1-CE3 3.87Å; I216-W374 HydrophobicContact CG1-CZ3 3.64Å; I216-P375 HydrophobicContact CD1-CG 4.3Å; I216-Y378 HydrophobicContact CB-CE2 4.37Å; I216-Y378 HydrophobicContact CD1-CD2 4.05Å; I216-Y378 HydrophobicContact CD1-CG 4.09Å; I216-Y378 HydrophobicContact CG1-CD1 4.31Å; I216-Y378 HydrophobicContact CG1-CD2 4.3Å; I216-Y378 HydrophobicContact CG1-CE1 4.29Å; I216-Y378 HydrophobicContact CG1-CE2 4.33Å; I216-Y378 HydrophobicContact CG1-CG 4.31Å; I216-Y378 HydrophobicContact CG2-CD2 3.89Å; I216-Y378 HydrophobicContact CG2-CE1 4.38Å; I216-Y378 HydrophobicContact CG2-CE2 3.3Å | ||
| 217 | P | 81.6 | Confident | 89.1 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.7 | 122.1 | 171.3 | -35 | 31.1 | 0 | 0 | 0 | 112.9 | Y378 | P217-Y378 WeakPolarHBondContact CD-OH 3.43Å; P217-Y378 VanDerWaalsContact CG-OH 3.29Å; P217-Y378 WeakPolarHBondContact CG-OH 3.24Å |
| 218 | G | 79.6 | Confident | 88.6 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 0.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | I216 D228 | I216-G218 PolarHBondContact O-N 2.59Å; G218-D228 PolarHBondContact O-N 2.04Å |
| 219 | W | 87.2 | Confident | 88.3 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 25% | 0.25 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.4 | 172.2 | -62 | 88.6 | 0 | 0 | 0 | 110.3 | H203 C215 I216 K226 I227 | H203-W219 HydrophobicContact CB-CB 3.93Å; H203-W219 VanDerWaalsContact CB-CD1 3.47Å; H203-W219 HydrophobicContact CB-CD2 3.59Å; H203-W219 HydrophobicContact CB-CE3 4.3Å; H203-W219 HydrophobicContact CB-CG 3.36Å; H203-W219 AromaticContact CD2-CD2 3.31Å; H203-W219 AromaticContact CD2-CE2 3.4Å; H203-W219 VanDerWaalsContact CD2-CE2 3.4Å; H203-W219 AromaticContact CD2-CE3 3.28Å; H203-W219 AromaticContact CD2-CH2 3.45Å; H203-W219 VanDerWaalsContact CD2-CH2 3.45Å; H203-W219 WeakPolarHBondContact CD2-CH2 3.3Å; H203-W219 AromaticContact CD2-CZ2 3.49Å; H203-W219 VanDerWaalsContact CD2-CZ2 3.49Å; H203-W219 WeakPolarHBondContact CD2-CZ2 3.26Å; H203-W219 AromaticContact CD2-CZ3 3.35Å; H203-W219 WeakPolarHBondContact CD2-CZ3 3.5Å; H203-W219 AromaticContact CE1-CE2 3.83Å; H203-W219 AromaticContact CE1-CH2 3.76Å; H203-W219 AromaticContact CE1-CZ2 3.43Å; H203-W219 VanDerWaalsContact CE1-CZ2 3.43Å; H203-W219 WeakPolarHBondContact CE1-CZ2 3.39Å; H203-W219 AromaticContact CG-CD1 3.88Å; H203-W219 AromaticContact CG-CD2 3.41Å; H203-W219 VanDerWaalsContact CG-CD2 3.41Å; H203-W219 AromaticContact CG-CE2 3.3Å; H203-W219 AromaticContact CG-CE3 3.9Å; H203-W219 AromaticContact CG-CG 3.78Å; H203-W219 AromaticContact CG-CZ2 3.72Å; H203-W219 AromaticContact CG-NE1 3.59Å; H203-W219 AromaticContact ND1-CE2 3.58Å; H203-W219 AromaticContact ND1-CZ2 3.67Å; H203-W219 AromaticContact ND1-NE1 3.75Å; H203-W219 AromaticContact NE2-CE2 3.77Å; H203-W219 AromaticContact NE2-CE3 3.96Å; H203-W219 AromaticContact NE2-CH2 3.19Å; H203-W219 WeakPolarHBondContact NE2-CH2 3.36Å; H203-W219 AromaticContact NE2-CZ2 3.34Å; H203-W219 VanDerWaalsContact NE2-CZ2 3.34Å; H203-W219 WeakPolarHBondContact NE2-CZ2 3.27Å; H203-W219 AromaticContact NE2-CZ3 3.53Å; C215-W219 HydrophobicContact CB-CB 4.34Å; C215-W219 VanDerWaalsContact CB-O 3.27Å; C215-W219 WeakPolarHBondContact CB-O 3.1Å; I216-W219 WeakPolarHBondContact O-CB 3.36Å; I216-W219 PolarHBondContact O-N 3.02Å; W219-K226 CarbonylContact C-O 3.57Å; W219-K226 VanDerWaalsContact CA-O 3.26Å; W219-K226 WeakPolarHBondContact CA-O 3.31Å; W219-I227 HydrophobicContact CE3-CG1 4.23Å; W219-I227 HydrophobicContact CH2-CG1 3.96Å; W219-I227 HydrophobicContact CZ3-CG1 3.77Å |
| 220 | S | 87.6 | Confident | 88.1 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 177.6 | -174.6 | 66.9 | 0 | 0 | 0 | 0 | 112 | C224 N225 K226 | S220-C224 WeakPolarHBondContact O-CA 3.35Å; S220-N225 PolarHBondContact O-N 2.94Å; S220-K226 PolarHBondContact N-O 3.37Å; S220-K226 WeakPolarHBondContact O-CB 3.2Å; S220-K226 PolarHBondContact O-N 3.07Å; S220-K226 VanDerWaalsContact O-N 3.13Å; S220-K226 PolarHBondContact OG-O 3.17Å |
| 221 | G | 85.8 | Confident | 87.2 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 163.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E223 C224 | G221-E223 PolarHBondContact O-N 2.04Å; G221-C224 PolarHBondContact O-N 2.96Å |
| 222 | D | 88 | Confident | 86 | Confident | 155 Ų | 155 | 55.4 Ų | 55.4 | 83% | 0.829 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.3 | -174 | -53.7 | -29.5 | 0 | 0 | 0 | 113.5 | ||
| 223 | E | 89.5 | Confident | 84.9 | Confident | 58 Ų | 58 | 58 Ų | 58 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 7.8 | 178.5 | -65.3 | -62.4 | 174 | 0 | 0 | 113.6 | R202 R213 G221 N225 | R202-E223 WeakPolarHBondContact CB-O 3.18Å; R202-E223 WeakPolarHBondContact CG-O 3.29Å; R202-E223 IonicContact CZ-OE2 3.18Å; R202-E223 IonicContact NE-OE2 3.58Å; R202-E223 IonicContact NH1-OE1 3.85Å; R202-E223 IonicContact NH1-OE2 3.75Å; R202-E223 PolarHBondContact NH1-OE2 2.92Å; R213-E223 IonicContact CZ-OE1 2.9Å; R213-E223 IonicContact CZ-OE2 3.58Å; R213-E223 IonicContact NH1-OE1 2.75Å; R213-E223 PolarHBondContact NH1-OE1 2.85Å; R213-E223 IonicContact NH1-OE2 3.95Å; R213-E223 PolarHBondContact NH1-OE2 2.96Å; G221-E223 PolarHBondContact O-N 2.04Å; E223-N225 PolarHBondContact O-N 3.09Å |
| 224 | C | 92.2 | Very high | 84.1 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 43.4 | -179.2 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | H203 Y204 C215 S220 G221 | H203-C224 PolarHBondContact N-O 2.8Å; H203-C224 WeakPolarHBondContact O-CB 3.39Å; Y204-C224 HydrophobicContact CD1-CB 4.23Å; C215-C224 WeakPolarHBondContact CA-SG 3.46Å; C215-C224 HydrophobicContact CB-CB 3.69Å; C215-C224 WeakPolarHBondContact CB-SG 3.4Å; C215-C224 VanDerWaalsContact SG-CA 3.58Å; C215-C224 WeakPolarHBondContact SG-CB 3.49Å; C215-C224 CovalentContact SG-SG 2.04Å; C215-C224 PolarHBondContact SG-SG 3.17Å; S220-C224 WeakPolarHBondContact O-CA 3.35Å; G221-C224 PolarHBondContact O-N 2.96Å |
| 225 | N | 89.9 | Confident | 83.6 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | trans | -118.5 | 3.4 | -176.6 | 67.6 | -21.9 | 0 | 0 | 0 | 112.8 | S220 E223 | S220-N225 PolarHBondContact O-N 2.94Å; E223-N225 PolarHBondContact O-N 3.09Å | ||
| 226 | K | 87 | Confident | 83.4 | Confident | 108 Ų | 108 | 54.5 Ų | 54.5 | 47% | 0.47 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.4 | 174.9 | -61.2 | 178.5 | -178.1 | 175.5 | 0 | 109.5 | W219 S220 | W219-K226 CarbonylContact C-O 3.57Å; W219-K226 VanDerWaalsContact CA-O 3.26Å; W219-K226 WeakPolarHBondContact CA-O 3.31Å; S220-K226 PolarHBondContact N-O 3.37Å; S220-K226 WeakPolarHBondContact O-CB 3.2Å; S220-K226 PolarHBondContact O-N 3.07Å; S220-K226 VanDerWaalsContact O-N 3.13Å; S220-K226 PolarHBondContact OG-O 3.17Å |
| 227 | I | 84.4 | Confident | 83.3 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 43% | 0.431 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.3 | 176.5 | -61.7 | 171.4 | 0 | 0 | 0 | 109 | W219 H229 | W219-I227 HydrophobicContact CE3-CG1 4.23Å; W219-I227 HydrophobicContact CH2-CG1 3.96Å; W219-I227 HydrophobicContact CZ3-CG1 3.77Å; I227-H229 PolarHBondContact O-N 2.71Å |
| 228 | D | 83.9 | Confident | 83.4 | Confident | 39 Ų | 39 | 52 Ų | 52 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | trans | -88.6 | 87.8 | 166.5 | 179.8 | 2.3 | 0 | 0 | 0 | 109 | G218 C230 G231 I232 N244 | G218-D228 PolarHBondContact O-N 2.04Å; D228-C230 VanDerWaalsContact C-N 3.29Å; D228-C230 PolarHBondContact O-N 2.01Å; D228-C230 PolarHBondContact OD1-N 3.39Å; D228-G231 PolarHBondContact O-N 3.46Å; D228-G231 PolarHBondContact OD1-N 3.33Å; D228-I232 PolarHBondContact O-N 3.11Å; D228-N244 PolarHBondContact OD1-ND2 2.03Å; D228-N244 PolarHBondContact OD1-OD1 2.88Å | ||
| 229 | H | 81.6 | Confident | 83.9 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 179.6 | -65.5 | -82.6 | 0 | 0 | 0 | 112 | I227 L233 N244 G248 Y249 | I227-H229 PolarHBondContact O-N 2.71Å; H229-L233 WeakPolarHBondContact O-CB 3.27Å; H229-L233 PolarHBondContact O-N 3.11Å; H229-L233 VanDerWaalsContact O-N 3.11Å; H229-N244 PolarHBondContact N-OD1 2.84Å; H229-G248 VanDerWaalsContact CD2-C 3.5Å; H229-G248 PolarHBondContact CD2-O 3.41Å; H229-G248 VanDerWaalsContact CD2-O 3.29Å; H229-Y249 HydrophobicContact CB-CD1 3.79Å; H229-Y249 HydrophobicContact CB-CG 4.25Å |
| 230 | C | 83.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.2 | -37.5 | -179.5 | -66.2 | 0 | 0 | 0 | 0 | 113 | D228 C242 T243 N244 | D228-C230 VanDerWaalsContact C-N 3.29Å; D228-C230 PolarHBondContact O-N 2.01Å; D228-C230 PolarHBondContact OD1-N 3.39Å; C230-C242 WeakPolarHBondContact CA-SG 3.43Å; C230-C242 HydrophobicContact CB-CB 3.69Å; C230-C242 WeakPolarHBondContact CB-SG 3.35Å; C230-C242 WeakPolarHBondContact SG-CB 3.33Å; C230-C242 CovalentContact SG-SG 2.04Å; C230-C242 PolarHBondContact SG-SG 3.33Å; C230-T243 PolarHBondContact SG-N 2.71Å; C230-N244 PolarHBondContact N-OD1 3.48Å; C230-N244 PolarHBondContact SG-N 2.87Å; C230-N244 VanDerWaalsContact SG-N 3.44Å |
| 231 | G | 73.2 | Confident | 84.2 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.7 | -34.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D228 | D228-G231 PolarHBondContact O-N 3.46Å; D228-G231 PolarHBondContact OD1-N 3.33Å |
| 232 | I | 68 | Low | 84.4 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -93.4 | -50 | 179.1 | -62.8 | 161.9 | 0 | 0 | 0 | 112.3 | D228 | D228-I232 PolarHBondContact O-N 3.11Å |
| 233 | L | 70.6 | Confident | 84.6 | Confident | 103 Ų | 103 | 47.4 Ų | 47.4 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -88.2 | -15.1 | -164 | -61.2 | 170.2 | 0 | 0 | 0 | 112.5 | H229 P235 | H229-L233 WeakPolarHBondContact O-CB 3.27Å; H229-L233 PolarHBondContact O-N 3.11Å; H229-L233 VanDerWaalsContact O-N 3.11Å; L233-P235 HydrophobicContact CB-CB 4.34Å; L233-P235 VanDerWaalsContact O-N 3.14Å |
| 234 | T | 77.3 | Confident | 84.3 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | trans | 35.8 | 55.6 | -169.4 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | C236 P388 | T234-C236 PolarHBondContact O-N 3.48Å; T234-P388 HydrophobicContact CG2-CG 4.24Å | ||
| 235 | P | 83.7 | Confident | 83.9 | Confident | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | trans | -74.5 | -16.4 | -159.2 | 30.5 | -36.9 | 0 | 0 | 0 | 112.7 | L233 C242 Y249 H261 | L233-P235 HydrophobicContact CB-CB 4.34Å; L233-P235 VanDerWaalsContact O-N 3.14Å; P235-C242 VanDerWaalsContact CG-SG 3.56Å; P235-Y249 HydrophobicContact CB-CD1 4.29Å; P235-Y249 HydrophobicContact CB-CD2 3.85Å; P235-Y249 HydrophobicContact CB-CE1 3.87Å; P235-Y249 HydrophobicContact CB-CE2 3.39Å; P235-Y249 HydrophobicContact CB-CG 4.29Å; P235-Y249 HydrophobicContact CG-CD1 3.91Å; P235-Y249 HydrophobicContact CG-CD2 3.34Å; P235-Y249 HydrophobicContact CG-CE1 4.01Å; P235-Y249 HydrophobicContact CG-CE2 3.48Å; P235-Y249 VanDerWaalsContact CG-CE2 3.48Å; P235-Y249 HydrophobicContact CG-CG 3.58Å; P235-H261 WeakPolarHBondContact O-CB 3.27Å; P235-H261 PolarHBondContact O-ND1 3.49Å | ||
| 236 | C | 88 | Confident | 83.4 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -84.9 | 135.5 | 172.7 | -46 | 0 | 0 | 0 | 0 | 109.4 | T234 C242 C251 H261 | T234-C236 PolarHBondContact O-N 3.48Å; C236-C242 HydrophobicContact CB-CB 4.46Å; C236-C242 WeakPolarHBondContact SG-CA 3.47Å; C236-C242 WeakPolarHBondContact SG-CB 3.4Å; C236-C251 WeakPolarHBondContact CA-SG 3.2Å; C236-C251 HydrophobicContact CB-CB 3.87Å; C236-C251 WeakPolarHBondContact CB-SG 3.45Å; C236-C251 WeakPolarHBondContact SG-CA 3.23Å; C236-C251 WeakPolarHBondContact SG-CB 3.16Å; C236-C251 CovalentContact SG-SG 2.03Å; C236-C251 PolarHBondContact SG-SG 3.27Å; C236-H261 CarbonylContact C-O 3.57Å |
| 237 | G | 86.1 | Confident | 83 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | trans | -56.4 | 172.6 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | M239 G240 H261 | G237-M239 PolarHBondContact O-N 3.19Å; G237-G240 PolarHBondContact O-N 2.93Å; G237-H261 WeakPolarHBondContact CA-O 3.48Å; G237-H261 PolarHBondContact N-O 3.5Å | ||
| 238 | P | 84.4 | Confident | 83 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.9 | -168.3 | 24.7 | -35.3 | 0 | 0 | 0 | 113.9 | F280 I303 F390 | P238-F280 HydrophobicContact CG-CE2 3.63Å; P238-F280 HydrophobicContact CG-CZ 3.68Å; P238-I303 HydrophobicContact CB-CB 4.4Å; P238-I303 HydrophobicContact CB-CG2 3.93Å; P238-I303 HydrophobicContact CG-CG2 4.03Å; P238-F390 HydrophobicContact CB-CD1 3.66Å; P238-F390 HydrophobicContact CB-CD2 4.45Å; P238-F390 HydrophobicContact CB-CE1 3.81Å; P238-F390 HydrophobicContact CB-CG 4Å; P238-F390 HydrophobicContact CB-CZ 4.27Å; P238-F390 HydrophobicContact CG-CD1 3.96Å; P238-F390 HydrophobicContact CG-CE1 4.34Å |
| 239 | M | 90.2 | Very high | 83.2 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 7.7 | 179.2 | -62.7 | -60.1 | 117.9 | 0 | 0 | 113.5 | G237 K254 F257 F280 V301 C302 I303 | G237-M239 PolarHBondContact O-N 3.19Å; M239-K254 WeakPolarHBondContact O-CB 3.23Å; M239-K254 PolarHBondContact O-N 3.23Å; M239-F257 HydrophobicContact CB-CB 4.11Å; M239-F257 HydrophobicContact CB-CD1 3.77Å; M239-F257 HydrophobicContact CB-CD2 3.93Å; M239-F257 HydrophobicContact CB-CE1 4.14Å; M239-F257 HydrophobicContact CB-CE2 4.3Å; M239-F257 HydrophobicContact CB-CG 3.65Å; M239-F257 HydrophobicContact CB-CZ 4.4Å; M239-F257 HydrophobicContact CG-CD1 3.84Å; M239-F257 HydrophobicContact CG-CD2 3.92Å; M239-F257 HydrophobicContact CG-CE1 3.66Å; M239-F257 HydrophobicContact CG-CE2 3.76Å; M239-F257 HydrophobicContact CG-CG 3.96Å; M239-F257 HydrophobicContact CG-CZ 3.63Å; M239-F280 HydrophobicContact CE-CD2 4.5Å; M239-F280 HydrophobicContact CE-CE2 4.3Å; M239-F280 HydrophobicContact CG-CD2 4.24Å; M239-F280 HydrophobicContact CG-CE2 4.02Å; M239-V301 HydrophobicContact CE-CG1 4.36Å; M239-V301 HydrophobicContact SD-CG1 3.58Å; M239-V301 VanDerWaalsContact SD-CG1 3.58Å; M239-C302 VanDerWaalsContact CE-O 3.23Å; M239-C302 WeakPolarHBondContact CE-O 3.49Å; M239-I303 HydrophobicContact CE-CG2 4.37Å |
| 240 | G | 90.2 | Very high | 83.7 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 19% | 0.186 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G237 A252 | G237-G240 PolarHBondContact O-N 2.93Å; G240-A252 CarbonylContact C-O 3.56Å; G240-A252 WeakPolarHBondContact CA-O 3.07Å |
| 241 | T | 90.9 | Very high | 84.2 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.8 | 167.8 | -51.4 | 0 | 0 | 0 | 0 | 108.6 | C251 A252 K254 | T241-C251 WeakPolarHBondContact O-CA 3.23Å; T241-A252 PolarHBondContact N-O 2.84Å; T241-A252 PolarHBondContact O-N 3.27Å; T241-K254 VanDerWaalsContact OG1-CE 3.32Å; T241-K254 WeakPolarHBondContact OG1-CE 3.35Å |
| 242 | C | 90.4 | Very high | 85.2 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 136.4 | 179.8 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | C230 P235 C236 | C230-C242 WeakPolarHBondContact CA-SG 3.43Å; C230-C242 HydrophobicContact CB-CB 3.69Å; C230-C242 WeakPolarHBondContact CB-SG 3.35Å; C230-C242 WeakPolarHBondContact SG-CB 3.33Å; C230-C242 CovalentContact SG-SG 2.04Å; C230-C242 PolarHBondContact SG-SG 3.33Å; P235-C242 VanDerWaalsContact CG-SG 3.56Å; C236-C242 HydrophobicContact CB-CB 4.46Å; C236-C242 WeakPolarHBondContact SG-CA 3.47Å; C236-C242 WeakPolarHBondContact SG-CB 3.4Å |
| 243 | T | 90.8 | Very high | 86.4 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.9 | 171.3 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | C230 Y249 N250 | C230-T243 PolarHBondContact SG-N 2.71Å; T243-Y249 CarbonylContact O-C 3.51Å; T243-Y249 WeakPolarHBondContact O-CA 3.31Å; T243-N250 PolarHBondContact N-O 3.44Å; T243-N250 PolarHBondContact O-N 3.39Å; T243-N250 PolarHBondContact OG1-O 3.02Å |
| 244 | N | 83.9 | Confident | 87.4 | Confident | 67 Ų | 67 | 56 Ų | 56 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 141.5 | 173 | -71.2 | -55.7 | 0 | 0 | 0 | 109.7 | D228 H229 C230 | D228-N244 PolarHBondContact OD1-ND2 2.03Å; D228-N244 PolarHBondContact OD1-OD1 2.88Å; H229-N244 PolarHBondContact N-OD1 2.84Å; C230-N244 PolarHBondContact N-OD1 3.48Å; C230-N244 PolarHBondContact SG-N 2.87Å; C230-N244 VanDerWaalsContact SG-N 3.44Å |
| 245 | T | 84.9 | Confident | 87.9 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 170.2 | 173.1 | 69.1 | 0 | 0 | 0 | 0 | 108.9 | V247 G248 N250 | T245-V247 PolarHBondContact O-N 3.43Å; T245-V247 VanDerWaalsContact O-N 3.17Å; T245-G248 PolarHBondContact N-O 2.82Å; T245-G248 PolarHBondContact O-N 2.89Å; T245-G248 PolarHBondContact OG1-N 3.22Å; T245-G248 PolarHBondContact OG1-O 2.8Å; T245-N250 HydrophobicContact CG2-CB 4.04Å |
| 246 | H | 77.8 | Confident | 88.2 | Confident | 173 Ų | 173 | 64 Ų | 64 | 80% | 0.801 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26 | 177.5 | -172.3 | -70.7 | 0 | 0 | 0 | 113 | ||
| 247 | V | 80 | Confident | 88.4 | Confident | 138 Ų | 138 | 64 Ų | 64 | 84% | 0.836 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 2.8 | -171.6 | -145.6 | 0 | 0 | 0 | 0 | 112.3 | T245 | T245-V247 PolarHBondContact O-N 3.43Å; T245-V247 VanDerWaalsContact O-N 3.17Å |
| 248 | G | 83.8 | Confident | 88.6 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -129.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H229 T245 | H229-G248 VanDerWaalsContact CD2-C 3.5Å; H229-G248 PolarHBondContact CD2-O 3.41Å; H229-G248 VanDerWaalsContact CD2-O 3.29Å; T245-G248 PolarHBondContact N-O 2.82Å; T245-G248 PolarHBondContact O-N 2.89Å; T245-G248 PolarHBondContact OG1-N 3.22Å; T245-G248 PolarHBondContact OG1-O 2.8Å |
| 249 | Y | 88.3 | Confident | 88.8 | Confident | 81 Ų | 81 | 67 Ų | 67 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 164.1 | 177.2 | 63.3 | -84.6 | 0 | 0 | 0 | 111.4 | H229 P235 T243 H261 | H229-Y249 HydrophobicContact CB-CD1 3.79Å; H229-Y249 HydrophobicContact CB-CG 4.25Å; P235-Y249 HydrophobicContact CB-CD1 4.29Å; P235-Y249 HydrophobicContact CB-CD2 3.85Å; P235-Y249 HydrophobicContact CB-CE1 3.87Å; P235-Y249 HydrophobicContact CB-CE2 3.39Å; P235-Y249 HydrophobicContact CB-CG 4.29Å; P235-Y249 HydrophobicContact CG-CD1 3.91Å; P235-Y249 HydrophobicContact CG-CD2 3.34Å; P235-Y249 HydrophobicContact CG-CE1 4.01Å; P235-Y249 HydrophobicContact CG-CE2 3.48Å; P235-Y249 VanDerWaalsContact CG-CE2 3.48Å; P235-Y249 HydrophobicContact CG-CG 3.58Å; T243-Y249 CarbonylContact O-C 3.51Å; T243-Y249 WeakPolarHBondContact O-CA 3.31Å; Y249-H261 PolarHBondContact OH-CE1 3.41Å |
| 250 | N | 91.4 | Very high | 88.6 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.6 | 171.9 | -175.8 | 31.3 | 0 | 0 | 0 | 110.3 | T243 T245 | T243-N250 PolarHBondContact N-O 3.44Å; T243-N250 PolarHBondContact O-N 3.39Å; T243-N250 PolarHBondContact OG1-O 3.02Å; T245-N250 HydrophobicContact CG2-CB 4.04Å |
| 251 | C | 93.5 | Very high | 88.6 | Confident | 16 Ų | 16 | 74.1 Ų | 74.1 | 11% | 0.108 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.8 | 180 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | C236 T241 | C236-C251 WeakPolarHBondContact CA-SG 3.2Å; C236-C251 HydrophobicContact CB-CB 3.87Å; C236-C251 WeakPolarHBondContact CB-SG 3.45Å; C236-C251 WeakPolarHBondContact SG-CA 3.23Å; C236-C251 WeakPolarHBondContact SG-CB 3.16Å; C236-C251 CovalentContact SG-SG 2.03Å; C236-C251 PolarHBondContact SG-SG 3.27Å; T241-C251 WeakPolarHBondContact O-CA 3.23Å |
| 252 | A | 94.9 | Very high | 88.7 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 44% | 0.438 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G240 T241 | G240-A252 CarbonylContact C-O 3.56Å; G240-A252 WeakPolarHBondContact CA-O 3.07Å; T241-A252 PolarHBondContact N-O 2.84Å; T241-A252 PolarHBondContact O-N 3.27Å |
| 253 | C | 93.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 71 Ų | 71 | 35% | 0.345 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 137 | -173.7 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | F257 C262 | C253-F257 HydrophobicContact CB-CB 4.22Å; C253-F257 WeakPolarHBondContact CB-O 3.37Å; C253-C262 WeakPolarHBondContact CA-SG 3.16Å; C253-C262 HydrophobicContact CB-CB 3.65Å; C253-C262 WeakPolarHBondContact CB-SG 3.37Å; C253-C262 PolarHBondContact N-SG 2.99Å; C253-C262 VanDerWaalsContact N-SG 3.36Å; C253-C262 WeakPolarHBondContact SG-CA 3.2Å; C253-C262 WeakPolarHBondContact SG-CB 3.07Å; C253-C262 CovalentContact SG-SG 2.03Å; C253-C262 PolarHBondContact SG-SG 2.93Å |
| 254 | K | 91.1 | Very high | 88.4 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -96.1 | 160.5 | 174.6 | -64.2 | 178.3 | 179.8 | 170.2 | 0 | 110.5 | M239 T241 N256 F257 | M239-K254 WeakPolarHBondContact O-CB 3.23Å; M239-K254 PolarHBondContact O-N 3.23Å; T241-K254 VanDerWaalsContact OG1-CE 3.32Å; T241-K254 WeakPolarHBondContact OG1-CE 3.35Å; K254-N256 PolarHBondContact O-N 2.9Å; K254-F257 WeakPolarHBondContact O-CB 3.04Å; K254-F257 WeakPolarHBondContact O-CD2 3.13Å; K254-F257 PolarHBondContact O-N 3.39Å |
| 255 | H | 87.5 | Confident | 88.5 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 34.5 | 174.1 | -58.9 | -69.8 | 0 | 0 | 0 | 114.3 | F257 P266 | H255-F257 HydrophobicContact CB-CD2 4.12Å; H255-F257 HydrophobicContact CB-CE2 4.3Å; H255-F257 PolarHBondContact O-N 3.22Å; H255-P266 WeakPolarHBondContact O-CG 3.16Å |
| 256 | N | 90 | Very high | 88.6 | Confident | 141 Ų | 141 | 68.9 Ų | 68.9 | 75% | 0.754 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 23.7 | -178.3 | -53.8 | -25.6 | 0 | 0 | 0 | 114.6 | K254 P266 | K254-N256 PolarHBondContact O-N 2.9Å; N256-P266 HydrophobicContact CB-CB 4.49Å; N256-P266 HydrophobicContact CB-CG 4.17Å |
| 257 | F | 91.5 | Very high | 89.1 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 4% | 0.039 | 37% | 0.369 | C | S | . | . | trans | -61.5 | 152.5 | 165.3 | -82.7 | -115 | 0 | 0 | 0 | 110.1 | M239 C253 K254 H255 E264 P265 F280 L282 | M239-F257 HydrophobicContact CB-CB 4.11Å; M239-F257 HydrophobicContact CB-CD1 3.77Å; M239-F257 HydrophobicContact CB-CD2 3.93Å; M239-F257 HydrophobicContact CB-CE1 4.14Å; M239-F257 HydrophobicContact CB-CE2 4.3Å; M239-F257 HydrophobicContact CB-CG 3.65Å; M239-F257 HydrophobicContact CB-CZ 4.4Å; M239-F257 HydrophobicContact CG-CD1 3.84Å; M239-F257 HydrophobicContact CG-CD2 3.92Å; M239-F257 HydrophobicContact CG-CE1 3.66Å; M239-F257 HydrophobicContact CG-CE2 3.76Å; M239-F257 HydrophobicContact CG-CG 3.96Å; M239-F257 HydrophobicContact CG-CZ 3.63Å; C253-F257 HydrophobicContact CB-CB 4.22Å; C253-F257 WeakPolarHBondContact CB-O 3.37Å; K254-F257 WeakPolarHBondContact O-CB 3.04Å; K254-F257 WeakPolarHBondContact O-CD2 3.13Å; K254-F257 PolarHBondContact O-N 3.39Å; H255-F257 HydrophobicContact CB-CD2 4.12Å; H255-F257 HydrophobicContact CB-CE2 4.3Å; H255-F257 PolarHBondContact O-N 3.22Å; F257-E264 WeakPolarHBondContact CA-O 3.43Å; F257-P265 HydrophobicContact CD1-CB 4.29Å; F257-P265 HydrophobicContact CE1-CB 3.6Å; F257-P265 HydrophobicContact CE1-CG 4.48Å; F257-P265 HydrophobicContact CE2-CB 4.47Å; F257-P265 HydrophobicContact CZ-CB 3.7Å; F257-F280 HydrophobicContact CE1-CD1 4.16Å; F257-F280 AromaticContact CE1-CD2 3.97Å; F257-F280 HydrophobicContact CE1-CD2 3.97Å; F257-F280 HydrophobicContact CE1-CE1 4.29Å; F257-F280 HydrophobicContact CE1-CE2 4.11Å; F257-F280 AromaticContact CE1-CG 4Å; F257-F280 HydrophobicContact CE1-CG 4Å; F257-F280 HydrophobicContact CE1-CZ 4.27Å; F257-F280 HydrophobicContact CZ-CB 3.93Å; F257-F280 HydrophobicContact CZ-CD1 4.29Å; F257-F280 AromaticContact CZ-CD2 3.7Å; F257-F280 HydrophobicContact CZ-CD2 3.7Å; F257-F280 HydrophobicContact CZ-CE2 4.27Å; F257-F280 AromaticContact CZ-CG 3.71Å; F257-F280 HydrophobicContact CZ-CG 3.71Å; F257-L282 HydrophobicContact CE2-CD1 4.15Å; F257-L282 HydrophobicContact CZ-CD2 4.46Å | ||
| 258 | S | 91 | Very high | 89.4 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -133.6 | -176 | -175.4 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | C262 S263 E264 | S258-C262 CarbonylContact O-C 3.25Å; S258-C262 VanDerWaalsContact O-CA 3.28Å; S258-C262 WeakPolarHBondContact O-CA 3.49Å; S258-S263 PolarHBondContact O-N 3.11Å; S258-E264 PolarHBondContact N-O 3.12Å; S258-E264 WeakPolarHBondContact O-CB 3.03Å; S258-E264 PolarHBondContact O-N 2.8Å; S258-E264 VanDerWaalsContact O-N 3.1Å; S258-E264 WeakPolarHBondContact OG-CB 3.44Å |
| 259 | G | 88.5 | Confident | 89.7 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 161.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H261 C262 E264 | G259-H261 PolarHBondContact O-N 3.27Å; G259-H261 VanDerWaalsContact O-N 3.1Å; G259-C262 PolarHBondContact O-N 3.17Å; G259-E264 WeakPolarHBondContact CA-OE1 3.4Å |
| 260 | P | 87.2 | Confident | 89.6 | Confident | 102 Ų | 102 | 62 Ų | 62 | 66% | 0.662 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.4 | -176.2 | 24 | -33.5 | 0 | 0 | 0 | 113.6 | ||
| 261 | H | 90.2 | Very high | 89.3 | Confident | 75 Ų | 75 | 61 Ų | 61 | 35% | 0.347 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 8.2 | 179 | -57.4 | -75.8 | 0 | 0 | 0 | 112.8 | P235 C236 G237 Y249 G259 S263 | P235-H261 WeakPolarHBondContact O-CB 3.27Å; P235-H261 PolarHBondContact O-ND1 3.49Å; C236-H261 CarbonylContact C-O 3.57Å; G237-H261 WeakPolarHBondContact CA-O 3.48Å; G237-H261 PolarHBondContact N-O 3.5Å; Y249-H261 PolarHBondContact OH-CE1 3.41Å; G259-H261 PolarHBondContact O-N 3.27Å; G259-H261 VanDerWaalsContact O-N 3.1Å; H261-S263 PolarHBondContact O-N 2.81Å; H261-S263 PolarHBondContact O-OG 3.14Å |
| 262 | C | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 37.3 | -176.2 | -50.6 | 0 | 0 | 0 | 0 | 114 | C253 S258 G259 | C253-C262 WeakPolarHBondContact CA-SG 3.16Å; C253-C262 HydrophobicContact CB-CB 3.65Å; C253-C262 WeakPolarHBondContact CB-SG 3.37Å; C253-C262 PolarHBondContact N-SG 2.99Å; C253-C262 VanDerWaalsContact N-SG 3.36Å; C253-C262 WeakPolarHBondContact SG-CA 3.2Å; C253-C262 WeakPolarHBondContact SG-CB 3.07Å; C253-C262 CovalentContact SG-SG 2.03Å; C253-C262 PolarHBondContact SG-SG 2.93Å; S258-C262 CarbonylContact O-C 3.25Å; S258-C262 VanDerWaalsContact O-CA 3.28Å; S258-C262 WeakPolarHBondContact O-CA 3.49Å; G259-C262 PolarHBondContact O-N 3.17Å |
| 263 | S | 87.1 | Confident | 88.4 | Confident | 33 Ų | 33 | 70 Ų | 70 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | trans | -102.9 | -3.7 | -177.2 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | S258 H261 P265 | S258-S263 PolarHBondContact O-N 3.11Å; H261-S263 PolarHBondContact O-N 2.81Å; H261-S263 PolarHBondContact O-OG 3.14Å; S263-P265 WeakPolarHBondContact O-CD 3.04Å | ||
| 264 | E | 87.2 | Confident | 88.1 | Confident | 105 Ų | 105 | 70 Ų | 70 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -101.3 | 107.5 | -176.1 | -62.2 | 167.7 | -153.1 | 0 | 0 | 110.3 | F257 S258 G259 | F257-E264 WeakPolarHBondContact CA-O 3.43Å; S258-E264 PolarHBondContact N-O 3.12Å; S258-E264 WeakPolarHBondContact O-CB 3.03Å; S258-E264 PolarHBondContact O-N 2.8Å; S258-E264 VanDerWaalsContact O-N 3.1Å; S258-E264 WeakPolarHBondContact OG-CB 3.44Å; G259-E264 WeakPolarHBondContact CA-OE1 3.4Å |
| 265 | P | 86.7 | Confident | 88.1 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 14% | 0.143 | 38% | 0.379 | C | S | . | . | trans | -72.7 | 139.6 | -179.3 | 27.4 | -32.5 | 0 | 0 | 0 | 111.9 | F257 S263 Q268 L282 | F257-P265 HydrophobicContact CD1-CB 4.29Å; F257-P265 HydrophobicContact CE1-CB 3.6Å; F257-P265 HydrophobicContact CE1-CG 4.48Å; F257-P265 HydrophobicContact CE2-CB 4.47Å; F257-P265 HydrophobicContact CZ-CB 3.7Å; S263-P265 WeakPolarHBondContact O-CD 3.04Å; P265-Q268 HydrophobicContact CG-CB 4.28Å; P265-Q268 HydrophobicContact CG-CG 4.13Å; P265-L282 HydrophobicContact CB-CD2 3.61Å | ||
| 266 | P | 87.6 | Confident | 88.3 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 145.4 | 173.1 | 32.7 | -34.3 | 0 | 0 | 0 | 110.9 | H255 N256 Q268 L282 | H255-P266 WeakPolarHBondContact O-CG 3.16Å; N256-P266 HydrophobicContact CB-CB 4.49Å; N256-P266 HydrophobicContact CB-CG 4.17Å; P266-Q268 VanDerWaalsContact C-N 3.31Å; P266-Q268 PolarHBondContact O-N 3.31Å; P266-L282 HydrophobicContact CG-CD1 4.32Å; P266-L282 VanDerWaalsContact O-CD2 3.26Å; P266-L282 WeakPolarHBondContact O-CD2 3.24Å |
| 267 | N | 88 | Confident | 88.4 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 49.7 | 171.6 | -59 | -28.5 | 0 | 0 | 0 | 113.7 | L283 Y285 | N267-L283 HydrophobicContact CB-CB 4.33Å; N267-L283 WeakPolarHBondContact O-CB 3.1Å; N267-L283 PolarHBondContact O-N 3.17Å; N267-Y285 HydrophobicContact CB-CE2 4.15Å |
| 268 | Q | 85.9 | Confident | 88.3 | Confident | 100 Ų | 100 | 63 Ų | 63 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 140.2 | -174.3 | -166.8 | 174.6 | -0.8 | 0 | 0 | 112 | P265 P266 | P265-Q268 HydrophobicContact CG-CB 4.28Å; P265-Q268 HydrophobicContact CG-CG 4.13Å; P266-Q268 VanDerWaalsContact C-N 3.31Å; P266-Q268 PolarHBondContact O-N 3.31Å |
| 269 | C | 89.8 | Confident | 88.3 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 8% | 0.081 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 154.2 | 173.1 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | Q273 C281 L282 | C269-Q273 HydrophobicContact CB-CB 4.12Å; C269-C281 HydrophobicContact CB-CB 3.57Å; C269-C281 WeakPolarHBondContact CB-SG 3.01Å; C269-C281 PolarHBondContact N-O 3.21Å; C269-C281 VanDerWaalsContact N-O 3.08Å; C269-C281 WeakPolarHBondContact SG-CB 3.03Å; C269-C281 PolarHBondContact SG-O 2.78Å; C269-C281 VanDerWaalsContact SG-O 3.37Å; C269-C281 CovalentContact SG-SG 2.04Å; C269-C281 PolarHBondContact SG-SG 2.96Å; C269-L282 VanDerWaalsContact SG-C 3.6Å; C269-L282 PolarHBondContact SG-N 3Å; C269-L282 VanDerWaalsContact SG-N 3.36Å |
| 270 | S | 87.4 | Confident | 88.5 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 33% | 0.329 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 152.5 | 164.9 | 68.2 | 0 | 0 | 0 | 0 | 111 | L272 Q273 D274 | S270-L272 PolarHBondContact O-N 2.67Å; S270-L272 VanDerWaalsContact O-N 3.08Å; S270-Q273 PolarHBondContact O-N 3.13Å; S270-Q273 WeakPolarHBondContact OG-CG 3.39Å; S270-Q273 PolarHBondContact OG-OE1 3.03Å; S270-D274 PolarHBondContact O-N 2.81Å |
| 271 | P | 84.6 | Confident | 88.7 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 49% | 0.494 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.6 | 177.4 | -27.1 | 34.7 | 0 | 0 | 0 | 114.2 | Q273 V401 | P271-Q273 VanDerWaalsContact C-N 3.28Å; P271-Q273 PolarHBondContact O-N 3.2Å; P271-V401 HydrophobicContact CG-CB 4.38Å; P271-V401 HydrophobicContact CG-CG1 4.17Å |
| 272 | L | 84.1 | Confident | 88.9 | Confident | 176 Ų | 176 | 52 Ų | 52 | 92% | 0.921 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.3 | 177 | -67.3 | 165.7 | 0 | 0 | 0 | 113.3 | S270 | S270-L272 PolarHBondContact O-N 2.67Å; S270-L272 VanDerWaalsContact O-N 3.08Å |
| 273 | Q | 84.2 | Confident | 88.8 | Confident | 84 Ų | 84 | 53 Ų | 53 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -8.8 | 179.3 | -72.6 | 169.5 | -10.2 | 0 | 0 | 112.9 | C269 S270 P271 I275 | C269-Q273 HydrophobicContact CB-CB 4.12Å; S270-Q273 PolarHBondContact O-N 3.13Å; S270-Q273 WeakPolarHBondContact OG-CG 3.39Å; S270-Q273 PolarHBondContact OG-OE1 3.03Å; P271-Q273 VanDerWaalsContact C-N 3.28Å; P271-Q273 PolarHBondContact O-N 3.2Å; Q273-I275 PolarHBondContact O-N 2.88Å |
| 274 | D | 88.5 | Confident | 88.9 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | trans | -73.4 | 95.6 | -179 | -170.2 | 1.6 | 0 | 0 | 0 | 110.8 | S270 C276 C281 K394 | S270-D274 PolarHBondContact O-N 2.81Å; D274-C276 WeakPolarHBondContact OD1-CB 3.4Å; D274-C276 PolarHBondContact OD1-N 3.41Å; D274-C276 VanDerWaalsContact OD1-N 3.09Å; D274-C281 HydrophobicContact CB-CB 4.14Å; D274-C281 WeakPolarHBondContact OD1-CB 3.25Å; D274-K394 IonicContact OD1-NZ 3.8Å; D274-K394 IonicContact OD2-NZ 3.73Å | ||
| 275 | I | 91 | Very high | 89 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 43% | 0.426 | 28% | 0.283 | S | S | . | . | trans | -97.2 | -2 | 175.5 | 54.9 | -179.5 | 0 | 0 | 0 | 112.6 | Q273 W310 | Q273-I275 PolarHBondContact O-N 2.88Å; I275-W310 HydrophobicContact CD1-CD2 3.93Å; I275-W310 HydrophobicContact CD1-CE3 3.44Å; I275-W310 VanDerWaalsContact CD1-CE3 3.44Å; I275-W310 HydrophobicContact CD1-CH2 3.26Å; I275-W310 HydrophobicContact CD1-CZ2 3.75Å; I275-W310 HydrophobicContact CD1-CZ3 3.12Å; I275-W310 HydrophobicContact CG1-CD2 4.3Å; I275-W310 HydrophobicContact CG1-CE3 3.71Å; I275-W310 HydrophobicContact CG1-CH2 4.39Å; I275-W310 HydrophobicContact CG1-CZ3 3.79Å | ||
| 276 | C | 92.5 | Very high | 89 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | trans | -73.9 | 133.6 | -178.7 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | D274 C281 C300 K394 | D274-C276 WeakPolarHBondContact OD1-CB 3.4Å; D274-C276 PolarHBondContact OD1-N 3.41Å; D274-C276 VanDerWaalsContact OD1-N 3.09Å; C276-C281 WeakPolarHBondContact SG-CA 2.98Å; C276-C281 VanDerWaalsContact SG-CB 3.52Å; C276-C300 WeakPolarHBondContact CA-SG 3.2Å; C276-C300 HydrophobicContact CB-CB 3.91Å; C276-C300 WeakPolarHBondContact CB-SG 3.42Å; C276-C300 WeakPolarHBondContact SG-CA 3.4Å; C276-C300 WeakPolarHBondContact SG-CB 3.42Å; C276-C300 CovalentContact SG-SG 2.01Å; C276-C300 PolarHBondContact SG-SG 3.25Å; C276-K394 PolarHBondContact O-NZ 3.5Å | ||
| 277 | Q | 91.5 | Very high | 88.9 | Confident | 117 Ų | 117 | 59 Ų | 59 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -81.4 | -75.8 | 173 | -63.3 | -172 | 11 | 0 | 0 | 109.6 | G279 W310 K394 | Q277-G279 PolarHBondContact O-N 2.97Å; Q277-W310 PolarHBondContact N-O 2.96Å; Q277-K394 PolarHBondContact O-NZ 2.82Å |
| 278 | N | 90.3 | Very high | 88.8 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -104.7 | 60.2 | -178.8 | -55 | -64.2 | 0 | 0 | 0 | 111.8 | I303 F306 C311 Y351 | N278-I303 HydrophobicContact CB-CD1 4.33Å; N278-I303 HydrophobicContact CB-CG1 4.14Å; N278-I303 WeakPolarHBondContact O-CG1 3.45Å; N278-I303 PolarHBondContact O-N 2.04Å; N278-I303 VanDerWaalsContact O-N 3.09Å; N278-F306 HydrophobicContact CB-CB 3.96Å; N278-F306 HydrophobicContact CB-CD1 3.6Å; N278-F306 HydrophobicContact CB-CD2 3.5Å; N278-F306 VanDerWaalsContact CB-CD2 3.5Å; N278-F306 HydrophobicContact CB-CE1 3.9Å; N278-F306 HydrophobicContact CB-CE2 3.77Å; N278-F306 HydrophobicContact CB-CG 3.37Å; N278-F306 HydrophobicContact CB-CZ 3.96Å; N278-F306 WeakPolarHBondContact ND2-CD1 3.41Å; N278-F306 WeakPolarHBondContact ND2-CE1 3.31Å; N278-C311 VanDerWaalsContact C-CB 3.49Å; N278-C311 HydrophobicContact CB-CB 4.42Å; N278-C311 WeakPolarHBondContact CB-O 3.39Å; N278-C311 PolarHBondContact N-O 3.36Å; N278-C311 PolarHBondContact ND2-O 2.76Å; N278-C311 VanDerWaalsContact O-CB 3.24Å; N278-C311 WeakPolarHBondContact O-CB 3.49Å; N278-Y351 PolarHBondContact ND2-OH 3.24Å |
| 279 | G | 91.1 | Very high | 89 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q277 V301 K394 | Q277-G279 PolarHBondContact O-N 2.97Å; G279-V301 CarbonylContact C-O 3.58Å; G279-V301 WeakPolarHBondContact CA-O 3.4Å; G279-K394 WeakPolarHBondContact O-CE 3.49Å; G279-K394 PolarHBondContact O-NZ 2.78Å |
| 280 | F | 91.4 | Very high | 88.8 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131 | 174.9 | -60.2 | -86.6 | 0 | 0 | 0 | 110.4 | P238 M239 F257 L282 C300 V301 I303 | P238-F280 HydrophobicContact CG-CE2 3.63Å; P238-F280 HydrophobicContact CG-CZ 3.68Å; M239-F280 HydrophobicContact CE-CD2 4.5Å; M239-F280 HydrophobicContact CE-CE2 4.3Å; M239-F280 HydrophobicContact CG-CD2 4.24Å; M239-F280 HydrophobicContact CG-CE2 4.02Å; F257-F280 HydrophobicContact CE1-CD1 4.16Å; F257-F280 AromaticContact CE1-CD2 3.97Å; F257-F280 HydrophobicContact CE1-CD2 3.97Å; F257-F280 HydrophobicContact CE1-CE1 4.29Å; F257-F280 HydrophobicContact CE1-CE2 4.11Å; F257-F280 AromaticContact CE1-CG 4Å; F257-F280 HydrophobicContact CE1-CG 4Å; F257-F280 HydrophobicContact CE1-CZ 4.27Å; F257-F280 HydrophobicContact CZ-CB 3.93Å; F257-F280 HydrophobicContact CZ-CD1 4.29Å; F257-F280 AromaticContact CZ-CD2 3.7Å; F257-F280 HydrophobicContact CZ-CD2 3.7Å; F257-F280 HydrophobicContact CZ-CE2 4.27Å; F257-F280 AromaticContact CZ-CG 3.71Å; F257-F280 HydrophobicContact CZ-CG 3.71Å; F280-L282 HydrophobicContact CB-CD2 4.28Å; F280-C300 WeakPolarHBondContact O-CA 3.33Å; F280-V301 PolarHBondContact N-O 3.06Å; F280-V301 PolarHBondContact O-N 2.95Å; F280-I303 HydrophobicContact CD2-CG2 4.28Å; F280-I303 HydrophobicContact CE2-CG2 3.71Å; F280-I303 HydrophobicContact CZ-CG2 4.44Å |
| 281 | C | 92.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.9 | 171.6 | -172 | 0 | 0 | 0 | 0 | 110.6 | C269 D274 C276 | C269-C281 HydrophobicContact CB-CB 3.57Å; C269-C281 WeakPolarHBondContact CB-SG 3.01Å; C269-C281 PolarHBondContact N-O 3.21Å; C269-C281 VanDerWaalsContact N-O 3.08Å; C269-C281 WeakPolarHBondContact SG-CB 3.03Å; C269-C281 PolarHBondContact SG-O 2.78Å; C269-C281 VanDerWaalsContact SG-O 3.37Å; C269-C281 CovalentContact SG-SG 2.04Å; C269-C281 PolarHBondContact SG-SG 2.96Å; D274-C281 HydrophobicContact CB-CB 4.14Å; D274-C281 WeakPolarHBondContact OD1-CB 3.25Å; C276-C281 WeakPolarHBondContact SG-CA 2.98Å; C276-C281 VanDerWaalsContact SG-CB 3.52Å |
| 282 | L | 92.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 156.4 | 177.7 | -46.8 | 179.8 | 0 | 0 | 0 | 110.6 | F257 P265 P266 C269 F280 P298 Y299 V301 | F257-L282 HydrophobicContact CE2-CD1 4.15Å; F257-L282 HydrophobicContact CZ-CD2 4.46Å; P265-L282 HydrophobicContact CB-CD2 3.61Å; P266-L282 HydrophobicContact CG-CD1 4.32Å; P266-L282 VanDerWaalsContact O-CD2 3.26Å; P266-L282 WeakPolarHBondContact O-CD2 3.24Å; C269-L282 VanDerWaalsContact SG-C 3.6Å; C269-L282 PolarHBondContact SG-N 3Å; C269-L282 VanDerWaalsContact SG-N 3.36Å; F280-L282 HydrophobicContact CB-CD2 4.28Å; L282-P298 WeakPolarHBondContact O-CA 3.46Å; L282-Y299 HydrophobicContact CB-CD1 4.27Å; L282-Y299 HydrophobicContact CB-CE1 3.66Å; L282-Y299 HydrophobicContact CB-CE2 4.29Å; L282-Y299 HydrophobicContact CD1-CE2 4.21Å; L282-Y299 WeakPolarHBondContact CD1-OH 3.47Å; L282-Y299 PolarHBondContact N-O 3.37Å; L282-Y299 WeakPolarHBondContact O-CD1 3.48Å; L282-Y299 PolarHBondContact O-N 3.36Å; L282-V301 HydrophobicContact CD1-CB 4.37Å; L282-V301 HydrophobicContact CD1-CG2 3.51Å; L282-V301 HydrophobicContact CG-CG2 4.28Å |
| 283 | L | 91.3 | Very high | 88.9 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.6 | 178.4 | -70.3 | 176.7 | 0 | 0 | 0 | 111.6 | N267 Y285 P296 P298 | N267-L283 HydrophobicContact CB-CB 4.33Å; N267-L283 WeakPolarHBondContact O-CB 3.1Å; N267-L283 PolarHBondContact O-N 3.17Å; L283-Y285 HydrophobicContact CB-CD2 4.46Å; L283-Y285 HydrophobicContact CB-CE2 3.76Å; L283-P296 HydrophobicContact CB-CB 3.98Å; L283-P296 HydrophobicContact CD1-CB 4.48Å; L283-P296 HydrophobicContact CD1-CG 4.22Å; L283-P296 HydrophobicContact CD2-CB 4.13Å; L283-P296 HydrophobicContact CD2-CG 4.27Å; L283-P296 HydrophobicContact CG-CB 4.42Å; L283-P298 HydrophobicContact CD2-CB 4.43Å |
| 284 | K | 88.6 | Confident | 88.8 | Confident | 81 Ų | 81 | 71.8 Ų | 71.8 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.2 | 172.4 | -159 | -171.2 | -175.9 | -154.3 | 0 | 109.9 | F286 D287 P296 I297 Y299 | K284-F286 WeakPolarHBondContact CD-O 3.3Å; K284-F286 WeakPolarHBondContact CE-O 3.44Å; K284-F286 VanDerWaalsContact CG-O 3.27Å; K284-F286 WeakPolarHBondContact CG-O 3.16Å; K284-F286 PolarHBondContact NZ-O 2.87Å; K284-F286 VanDerWaalsContact NZ-O 3.14Å; K284-D287 PolarHBondContact NZ-O 2.75Å; K284-P296 CarbonylContact O-C 3.47Å; K284-P296 VanDerWaalsContact O-CA 3.24Å; K284-P296 WeakPolarHBondContact O-CA 3.41Å; K284-I297 PolarHBondContact N-O 3.12Å; K284-I297 PolarHBondContact O-N 3.44Å; K284-Y299 HydrophobicContact CB-CD1 3.76Å; K284-Y299 HydrophobicContact CB-CE1 3.86Å |
| 285 | Y | 88.7 | Confident | 88.6 | Confident | 93 Ų | 93 | 75.3 Ų | 75.3 | 37% | 0.365 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -2.6 | 179.2 | -69.8 | -93.2 | 0 | 0 | 0 | 113.8 | N267 L283 S292 L293 P296 | N267-Y285 HydrophobicContact CB-CE2 4.15Å; L283-Y285 HydrophobicContact CB-CD2 4.46Å; L283-Y285 HydrophobicContact CB-CE2 3.76Å; Y285-S292 CarbonylContact O-C 3.59Å; Y285-S292 WeakPolarHBondContact O-CA 3.39Å; Y285-L293 PolarHBondContact O-N 3.34Å; Y285-P296 HydrophobicContact CD1-CB 3.83Å; Y285-P296 HydrophobicContact CD1-CG 4.31Å; Y285-P296 HydrophobicContact CD2-CB 4.33Å; Y285-P296 HydrophobicContact CE1-CB 3.67Å; Y285-P296 HydrophobicContact CE1-CG 3.73Å; Y285-P296 HydrophobicContact CE2-CB 4.17Å; Y285-P296 HydrophobicContact CG-CB 4.17Å |
| 286 | F | 88.4 | Confident | 88.4 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.7 | -177.3 | -59.3 | -81.5 | 0 | 0 | 0 | 110.8 | K284 R291 | K284-F286 WeakPolarHBondContact CD-O 3.3Å; K284-F286 WeakPolarHBondContact CE-O 3.44Å; K284-F286 VanDerWaalsContact CG-O 3.27Å; K284-F286 WeakPolarHBondContact CG-O 3.16Å; K284-F286 PolarHBondContact NZ-O 2.87Å; K284-F286 VanDerWaalsContact NZ-O 3.14Å; F286-R291 CarbonylContact C-O 3.6Å; F286-R291 VanDerWaalsContact CA-O 3.26Å; F286-R291 WeakPolarHBondContact CA-O 3.38Å |
| 287 | D | 85.4 | Confident | 88.2 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 24% | 0.235 | 39% | 0.39 | C | S | . | . | trans | -78 | -169.9 | 173.5 | 66.6 | 10.2 | 0 | 0 | 0 | 111.1 | K284 E289 N290 R291 L293 | K284-D287 PolarHBondContact NZ-O 2.75Å; D287-E289 PolarHBondContact O-N 3.17Å; D287-E289 VanDerWaalsContact OD1-CA 3.32Å; D287-E289 WeakPolarHBondContact OD1-CA 3.08Å; D287-E289 PolarHBondContact OD1-N 3.08Å; D287-N290 PolarHBondContact O-N 3.09Å; D287-N290 PolarHBondContact OD1-N 2.7Å; D287-R291 PolarHBondContact N-O 3.39Å; D287-R291 PolarHBondContact OD1-N 3.3Å; D287-R291 WeakPolarHBondContact OD2-CB 3.08Å; D287-R291 IonicContact OD2-NE 3.72Å; D287-L293 HydrophobicContact CB-CD1 3.89Å | ||
| 288 | E | 85 | Confident | 88.2 | Confident | 189 Ų | 189 | 73.3 Ų | 73.3 | 88% | 0.883 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.7 | 176 | -64.3 | -173.8 | 175.1 | 0 | 0 | 112.9 | ||
| 289 | E | 90.4 | Very high | 88.3 | Confident | 133 Ų | 133 | 76.7 Ų | 76.7 | 62% | 0.621 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 17.1 | 178.5 | -63.7 | -179.4 | -151.5 | 0 | 0 | 112.5 | D287 R291 | D287-E289 PolarHBondContact O-N 3.17Å; D287-E289 VanDerWaalsContact OD1-CA 3.32Å; D287-E289 WeakPolarHBondContact OD1-CA 3.08Å; D287-E289 PolarHBondContact OD1-N 3.08Å; E289-R291 HydrophobicContact CB-CG 4.15Å; E289-R291 PolarHBondContact O-N 3.34Å; E289-R291 IonicContact OE1-NH2 3.14Å; E289-R291 PolarHBondContact OE1-NH2 2.61Å; E289-R291 VanDerWaalsContact OE1-NH2 3.14Å; E289-R291 IonicContact OE2-CZ 3.17Å; E289-R291 IonicContact OE2-NE 2.97Å; E289-R291 PolarHBondContact OE2-NE 3.2Å; E289-R291 IonicContact OE2-NH2 2.62Å; E289-R291 PolarHBondContact OE2-NH2 2.81Å |
| 290 | N | 84.8 | Confident | 88.4 | Confident | 137 Ų | 137 | 77.5 Ų | 77.5 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | trans | 59.3 | 21.8 | -177.6 | -83.9 | -15.2 | 0 | 0 | 0 | 115.2 | D287 | D287-N290 PolarHBondContact O-N 3.09Å; D287-N290 PolarHBondContact OD1-N 2.7Å | ||
| 291 | R | 86.2 | Confident | 88.5 | Confident | 143 Ų | 143 | 77.1 Ų | 77.1 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 134.6 | 173.8 | -45.4 | -171.7 | -142.4 | 152.5 | 3.8 | 109.6 | F286 D287 E289 L293 | F286-R291 CarbonylContact C-O 3.6Å; F286-R291 VanDerWaalsContact CA-O 3.26Å; F286-R291 WeakPolarHBondContact CA-O 3.38Å; D287-R291 PolarHBondContact N-O 3.39Å; D287-R291 PolarHBondContact OD1-N 3.3Å; D287-R291 WeakPolarHBondContact OD2-CB 3.08Å; D287-R291 IonicContact OD2-NE 3.72Å; E289-R291 HydrophobicContact CB-CG 4.15Å; E289-R291 PolarHBondContact O-N 3.34Å; E289-R291 IonicContact OE1-NH2 3.14Å; E289-R291 PolarHBondContact OE1-NH2 2.61Å; E289-R291 VanDerWaalsContact OE1-NH2 3.14Å; E289-R291 IonicContact OE2-CZ 3.17Å; E289-R291 IonicContact OE2-NE 2.97Å; E289-R291 PolarHBondContact OE2-NE 3.2Å; E289-R291 IonicContact OE2-NH2 2.62Å; E289-R291 PolarHBondContact OE2-NH2 2.81Å; R291-L293 PolarHBondContact O-N 3.12Å |
| 292 | S | 87.5 | Confident | 88.4 | Confident | 92 Ų | 92 | 78.4 Ų | 78.4 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.2 | 178.7 | -144.8 | 0 | 0 | 0 | 0 | 110.2 | Y285 | Y285-S292 CarbonylContact O-C 3.59Å; Y285-S292 WeakPolarHBondContact O-CA 3.39Å |
| 293 | L | 84.6 | Confident | 88.3 | Confident | 50 Ų | 50 | 79 Ų | 79 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.7 | 172.4 | -82.3 | 104.4 | 0 | 0 | 0 | 111 | Y285 D287 R291 N295 I297 | Y285-L293 PolarHBondContact O-N 3.34Å; D287-L293 HydrophobicContact CB-CD1 3.89Å; R291-L293 PolarHBondContact O-N 3.12Å; L293-N295 VanDerWaalsContact C-N 3.32Å; L293-I297 HydrophobicContact CD1-CD1 4.42Å; L293-I297 HydrophobicContact CD2-CD1 3.55Å; L293-I297 HydrophobicContact CD2-CG1 3.92Å |
| 294 | S | 83 | Confident | 88 | Confident | 118 Ų | 118 | 81.1 Ų | 81.1 | 83% | 0.825 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -31.2 | 170.1 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 295 | N | 84.6 | Confident | 87.9 | Confident | 125 Ų | 125 | 77.8 Ų | 77.8 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 114.2 | 175.2 | -71.1 | -29.8 | 0 | 0 | 0 | 109.4 | L293 | L293-N295 VanDerWaalsContact C-N 3.32Å |
| 296 | P | 86.8 | Confident | 88.1 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140.5 | -180 | 25.6 | -32.1 | 0 | 0 | 0 | 111.4 | L283 K284 Y285 | L283-P296 HydrophobicContact CB-CB 3.98Å; L283-P296 HydrophobicContact CD1-CB 4.48Å; L283-P296 HydrophobicContact CD1-CG 4.22Å; L283-P296 HydrophobicContact CD2-CB 4.13Å; L283-P296 HydrophobicContact CD2-CG 4.27Å; L283-P296 HydrophobicContact CG-CB 4.42Å; K284-P296 CarbonylContact O-C 3.47Å; K284-P296 VanDerWaalsContact O-CA 3.24Å; K284-P296 WeakPolarHBondContact O-CA 3.41Å; Y285-P296 HydrophobicContact CD1-CB 3.83Å; Y285-P296 HydrophobicContact CD1-CG 4.31Å; Y285-P296 HydrophobicContact CD2-CB 4.33Å; Y285-P296 HydrophobicContact CE1-CB 3.67Å; Y285-P296 HydrophobicContact CE1-CG 3.73Å; Y285-P296 HydrophobicContact CE2-CB 4.17Å; Y285-P296 HydrophobicContact CG-CB 4.17Å |
| 297 | I | 88.1 | Confident | 88.3 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 45% | 0.451 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.6 | -177.8 | -60.6 | 165.3 | 0 | 0 | 0 | 108.9 | K284 L293 | K284-I297 PolarHBondContact N-O 3.12Å; K284-I297 PolarHBondContact O-N 3.44Å; L293-I297 HydrophobicContact CD1-CD1 4.42Å; L293-I297 HydrophobicContact CD2-CD1 3.55Å; L293-I297 HydrophobicContact CD2-CG1 3.92Å |
| 298 | P | 90.7 | Very high | 88.7 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 24% | 0.24 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 135.1 | 173.8 | 28.8 | -33 | 0 | 0 | 0 | 110.7 | L282 L283 | L282-P298 WeakPolarHBondContact O-CA 3.46Å; L283-P298 HydrophobicContact CD2-CB 4.43Å |
| 299 | Y | 92.1 | Very high | 89.2 | Confident | 91 Ų | 91 | 69.9 Ų | 69.9 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 158.1 | 172.4 | 74.4 | -80.5 | 0 | 0 | 0 | 110.4 | L282 K284 V301 | L282-Y299 HydrophobicContact CB-CD1 4.27Å; L282-Y299 HydrophobicContact CB-CE1 3.66Å; L282-Y299 HydrophobicContact CB-CE2 4.29Å; L282-Y299 HydrophobicContact CD1-CE2 4.21Å; L282-Y299 WeakPolarHBondContact CD1-OH 3.47Å; L282-Y299 PolarHBondContact N-O 3.37Å; L282-Y299 WeakPolarHBondContact O-CD1 3.48Å; L282-Y299 PolarHBondContact O-N 3.36Å; K284-Y299 HydrophobicContact CB-CD1 3.76Å; K284-Y299 HydrophobicContact CB-CE1 3.86Å; Y299-V301 HydrophobicContact CD2-CG2 4.35Å; Y299-V301 HydrophobicContact CE2-CG2 3.72Å |
| 300 | C | 93.7 | Very high | 89.4 | Confident | 19 Ų | 19 | 67.4 Ų | 67.4 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.8 | -177.6 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | C276 F280 C311 | C276-C300 WeakPolarHBondContact CA-SG 3.2Å; C276-C300 HydrophobicContact CB-CB 3.91Å; C276-C300 WeakPolarHBondContact CB-SG 3.42Å; C276-C300 WeakPolarHBondContact SG-CA 3.4Å; C276-C300 WeakPolarHBondContact SG-CB 3.42Å; C276-C300 CovalentContact SG-SG 2.01Å; C276-C300 PolarHBondContact SG-SG 3.25Å; F280-C300 WeakPolarHBondContact O-CA 3.33Å; C300-C311 VanDerWaalsContact CB-SG 3.52Å |
| 301 | V | 92.7 | Very high | 89.8 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.7 | 163 | 179 | 0 | 0 | 0 | 0 | 107.7 | M239 G279 F280 L282 Y299 | M239-V301 HydrophobicContact CE-CG1 4.36Å; M239-V301 HydrophobicContact SD-CG1 3.58Å; M239-V301 VanDerWaalsContact SD-CG1 3.58Å; G279-V301 CarbonylContact C-O 3.58Å; G279-V301 WeakPolarHBondContact CA-O 3.4Å; F280-V301 PolarHBondContact N-O 3.06Å; F280-V301 PolarHBondContact O-N 2.95Å; L282-V301 HydrophobicContact CD1-CB 4.37Å; L282-V301 HydrophobicContact CD1-CG2 3.51Å; L282-V301 HydrophobicContact CG-CG2 4.28Å; Y299-V301 HydrophobicContact CD2-CG2 4.35Å; Y299-V301 HydrophobicContact CE2-CG2 3.72Å |
| 302 | C | 91.9 | Very high | 90.1 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 140.5 | -174.3 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | M239 F306 C311 | M239-C302 VanDerWaalsContact CE-O 3.23Å; M239-C302 WeakPolarHBondContact CE-O 3.49Å; C302-F306 HydrophobicContact CB-CB 4.33Å; C302-F306 WeakPolarHBondContact CB-O 3.4Å; C302-C311 WeakPolarHBondContact CA-SG 3.48Å; C302-C311 HydrophobicContact CB-CB 3.71Å; C302-C311 WeakPolarHBondContact CB-SG 3.38Å; C302-C311 PolarHBondContact N-SG 3.21Å; C302-C311 VanDerWaalsContact N-SG 3.37Å; C302-C311 WeakPolarHBondContact SG-CA 3.43Å; C302-C311 WeakPolarHBondContact SG-CB 3.5Å; C302-C311 CovalentContact SG-SG 2.04Å; C302-C311 PolarHBondContact SG-SG 3.15Å |
| 303 | I | 89.1 | Confident | 90.4 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -67 | 153.6 | 167.3 | 50.4 | 153.5 | 0 | 0 | 0 | 109.5 | P238 M239 N278 F280 G305 F306 F390 | P238-I303 HydrophobicContact CB-CB 4.4Å; P238-I303 HydrophobicContact CB-CG2 3.93Å; P238-I303 HydrophobicContact CG-CG2 4.03Å; M239-I303 HydrophobicContact CE-CG2 4.37Å; N278-I303 HydrophobicContact CB-CD1 4.33Å; N278-I303 HydrophobicContact CB-CG1 4.14Å; N278-I303 WeakPolarHBondContact O-CG1 3.45Å; N278-I303 PolarHBondContact O-N 2.04Å; N278-I303 VanDerWaalsContact O-N 3.09Å; F280-I303 HydrophobicContact CD2-CG2 4.28Å; F280-I303 HydrophobicContact CE2-CG2 3.71Å; F280-I303 HydrophobicContact CZ-CG2 4.44Å; I303-G305 PolarHBondContact O-N 2.81Å; I303-F306 HydrophobicContact CD1-CD2 3.84Å; I303-F306 HydrophobicContact CD1-CE2 3.82Å; I303-F306 HydrophobicContact CG1-CD2 3.76Å; I303-F306 HydrophobicContact CG1-CE2 4.27Å; I303-F306 PolarHBondContact O-N 3.26Å; I303-F390 HydrophobicContact CD1-CB 4.07Å |
| 304 | P | 85.7 | Confident | 90.7 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 137.4 | 176.4 | -25.7 | 34.9 | 0 | 0 | 0 | 111.6 | ||
| 305 | G | 87.6 | Confident | 91 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -9.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | I303 I315 | I303-G305 PolarHBondContact O-N 2.81Å; G305-I315 WeakPolarHBondContact O-CB 3.22Å; G305-I315 WeakPolarHBondContact O-CG1 3.23Å; G305-I315 PolarHBondContact O-N 2.7Å |
| 306 | F | 91.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.1 | -178.9 | -63.2 | -85.3 | 0 | 0 | 0 | 113.3 | N278 C302 I303 L313 Y351 G352 | N278-F306 HydrophobicContact CB-CB 3.96Å; N278-F306 HydrophobicContact CB-CD1 3.6Å; N278-F306 HydrophobicContact CB-CD2 3.5Å; N278-F306 VanDerWaalsContact CB-CD2 3.5Å; N278-F306 HydrophobicContact CB-CE1 3.9Å; N278-F306 HydrophobicContact CB-CE2 3.77Å; N278-F306 HydrophobicContact CB-CG 3.37Å; N278-F306 HydrophobicContact CB-CZ 3.96Å; N278-F306 WeakPolarHBondContact ND2-CD1 3.41Å; N278-F306 WeakPolarHBondContact ND2-CE1 3.31Å; C302-F306 HydrophobicContact CB-CB 4.33Å; C302-F306 WeakPolarHBondContact CB-O 3.4Å; I303-F306 HydrophobicContact CD1-CD2 3.84Å; I303-F306 HydrophobicContact CD1-CE2 3.82Å; I303-F306 HydrophobicContact CG1-CD2 3.76Å; I303-F306 HydrophobicContact CG1-CE2 4.27Å; I303-F306 PolarHBondContact O-N 3.26Å; F306-L313 CarbonylContact C-O 3.55Å; F306-L313 WeakPolarHBondContact CA-O 3.36Å; F306-Y351 HydrophobicContact CE1-CD1 4.09Å; F306-Y351 HydrophobicContact CE1-CD2 4.37Å; F306-Y351 AromaticContact CE1-CE1 3.6Å; F306-Y351 HydrophobicContact CE1-CE1 3.6Å; F306-Y351 AromaticContact CE1-CE2 3.92Å; F306-Y351 HydrophobicContact CE1-CE2 3.92Å; F306-Y351 HydrophobicContact CE1-CG 4.47Å; F306-Y351 AromaticContact CE1-CZ 3.51Å; F306-Y351 AromaticContact CZ-CD1 3.88Å; F306-Y351 HydrophobicContact CZ-CD1 3.88Å; F306-Y351 AromaticContact CZ-CE1 3.6Å; F306-Y351 HydrophobicContact CZ-CE1 3.6Å; F306-G352 VanDerWaalsContact CE2-CA 3.5Å |
| 307 | T | 93.4 | Very high | 91.2 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | -176.7 | 178.5 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | C311 E312 L313 I315 | T307-C311 CarbonylContact O-C 3.56Å; T307-C311 VanDerWaalsContact O-CA 3.29Å; T307-C311 WeakPolarHBondContact O-CA 3.05Å; T307-E312 PolarHBondContact O-N 3.3Å; T307-L313 HydrophobicContact CG2-CB 3.77Å; T307-L313 HydrophobicContact CG2-CD1 4.5Å; T307-L313 PolarHBondContact N-O 2.67Å; T307-L313 WeakPolarHBondContact O-CB 3.3Å; T307-L313 PolarHBondContact O-N 2.87Å; T307-I315 HydrophobicContact CG2-CG1 3.93Å |
| 308 | G | 94.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 98.4 | 170.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W310 | G308-W310 VanDerWaalsContact C-N 3.26Å; G308-W310 PolarHBondContact O-N 3.44Å |
| 309 | K | 94 | Very high | 90.9 | Very high | 148 Ų | 148 | 49.5 Ų | 49.5 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -32.8 | -175.2 | -175.4 | 178.8 | 179 | -178.9 | 0 | 111.7 | E312 | K309-E312 PolarHBondContact N-OE2 3.19Š|
| 310 | W | 94.7 | Very high | 89.6 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 31% | 0.307 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 16.4 | -177.1 | -49.3 | 121.8 | 0 | 0 | 0 | 112.2 | I275 Q277 G308 E312 | I275-W310 HydrophobicContact CD1-CD2 3.93Å; I275-W310 HydrophobicContact CD1-CE3 3.44Å; I275-W310 VanDerWaalsContact CD1-CE3 3.44Å; I275-W310 HydrophobicContact CD1-CH2 3.26Å; I275-W310 HydrophobicContact CD1-CZ2 3.75Å; I275-W310 HydrophobicContact CD1-CZ3 3.12Å; I275-W310 HydrophobicContact CG1-CD2 4.3Å; I275-W310 HydrophobicContact CG1-CE3 3.71Å; I275-W310 HydrophobicContact CG1-CH2 4.39Å; I275-W310 HydrophobicContact CG1-CZ3 3.79Å; Q277-W310 PolarHBondContact N-O 2.96Å; G308-W310 VanDerWaalsContact C-N 3.26Å; G308-W310 PolarHBondContact O-N 3.44Å; W310-E312 VanDerWaalsContact CA-OE2 3.26Å; W310-E312 WeakPolarHBondContact CA-OE2 3.37Å; W310-E312 WeakPolarHBondContact CB-OE2 3.23Å; W310-E312 PolarHBondContact N-OE2 2.85Å; W310-E312 PolarHBondContact O-N 3.02Å |
| 311 | C | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 57.6 | 37.5 | -177.4 | -47.2 | 0 | 0 | 0 | 0 | 113.1 | N278 C300 C302 T307 | N278-C311 VanDerWaalsContact C-CB 3.49Å; N278-C311 HydrophobicContact CB-CB 4.42Å; N278-C311 WeakPolarHBondContact CB-O 3.39Å; N278-C311 PolarHBondContact N-O 3.36Å; N278-C311 PolarHBondContact ND2-O 2.76Å; N278-C311 VanDerWaalsContact O-CB 3.24Å; N278-C311 WeakPolarHBondContact O-CB 3.49Å; C300-C311 VanDerWaalsContact CB-SG 3.52Å; C302-C311 WeakPolarHBondContact CA-SG 3.48Å; C302-C311 HydrophobicContact CB-CB 3.71Å; C302-C311 WeakPolarHBondContact CB-SG 3.38Å; C302-C311 PolarHBondContact N-SG 3.21Å; C302-C311 VanDerWaalsContact N-SG 3.37Å; C302-C311 WeakPolarHBondContact SG-CA 3.43Å; C302-C311 WeakPolarHBondContact SG-CB 3.5Å; C302-C311 CovalentContact SG-SG 2.04Å; C302-C311 PolarHBondContact SG-SG 3.15Å; T307-C311 CarbonylContact O-C 3.56Å; T307-C311 VanDerWaalsContact O-CA 3.29Å; T307-C311 WeakPolarHBondContact O-CA 3.05Å |
| 312 | E | 93.2 | Very high | 85.7 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | trans | -89.9 | -18 | -178 | 73.3 | -77.2 | -169.4 | 0 | 0 | 113.2 | T307 K309 W310 | T307-E312 PolarHBondContact O-N 3.3Å; K309-E312 PolarHBondContact N-OE2 3.19Å; W310-E312 VanDerWaalsContact CA-OE2 3.26Å; W310-E312 WeakPolarHBondContact CA-OE2 3.37Å; W310-E312 WeakPolarHBondContact CB-OE2 3.23Å; W310-E312 PolarHBondContact N-OE2 2.85Å; W310-E312 PolarHBondContact O-N 3.02Å | ||
| 313 | L | 92.9 | Very high | 83.4 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.9 | -176.4 | -56.1 | 178.3 | 0 | 0 | 0 | 110.2 | F306 T307 | F306-L313 CarbonylContact C-O 3.55Å; F306-L313 WeakPolarHBondContact CA-O 3.36Å; T307-L313 HydrophobicContact CG2-CB 3.77Å; T307-L313 HydrophobicContact CG2-CD1 4.5Å; T307-L313 PolarHBondContact N-O 2.67Å; T307-L313 WeakPolarHBondContact O-CB 3.3Å; T307-L313 PolarHBondContact O-N 2.87Å |
| 314 | D | 89.8 | Confident | 80.9 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.4 | 170.3 | -171.7 | 42 | 0 | 0 | 0 | 110.2 | N349 Y351 G352 | D314-N349 PolarHBondContact OD2-ND2 2.63Å; D314-Y351 HydrophobicContact CB-CD2 4.13Å; D314-Y351 HydrophobicContact CB-CE2 4.31Å; D314-G352 WeakPolarHBondContact OD1-CA 3.16Å; D314-G352 PolarHBondContact OD1-N 2.97Å |
| 315 | I | 90 | Very high | 78.4 | Confident | 68 Ų | 68 | 77.1 Ų | 77.1 | 35% | 0.349 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 126.2 | 174.5 | -64.1 | 175.6 | 0 | 0 | 0 | 107.8 | G305 T307 E317 N349 | G305-I315 WeakPolarHBondContact O-CB 3.22Å; G305-I315 WeakPolarHBondContact O-CG1 3.23Å; G305-I315 PolarHBondContact O-N 2.7Å; T307-I315 HydrophobicContact CG2-CG1 3.93Å; I315-E317 HydrophobicContact CG2-CG 4.2Å; I315-E317 PolarHBondContact O-N 2.86Å; I315-E317 VanDerWaalsContact O-N 3.15Å; I315-N349 PolarHBondContact O-OD1 2.03Å |
| 316 | D | 89.5 | Confident | 75.8 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | trans | -77.4 | 97.1 | 167.9 | -175.2 | -10.8 | 0 | 0 | 0 | 109.8 | C318 A319 N349 | D316-C318 PolarHBondContact O-N 3.01Å; D316-C318 WeakPolarHBondContact OD1-CA 3.35Å; D316-C318 WeakPolarHBondContact OD1-CB 3.41Å; D316-C318 PolarHBondContact OD1-N 3.15Å; D316-A319 HydrophobicContact CB-CB 4.01Å; D316-A319 WeakPolarHBondContact O-CB 3.43Å; D316-A319 PolarHBondContact O-N 3.47Å; D316-A319 PolarHBondContact OD1-N 3.2Å; D316-N349 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 317 | E | 87.5 | Confident | 73.3 | Confident | 27 Ų | 27 | 89.1 Ų | 89.1 | 13% | 0.126 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.9 | -179.9 | -63.2 | 101.1 | 170.7 | 0 | 0 | 113.8 | I315 S340 N349 F354 | I315-E317 HydrophobicContact CG2-CG 4.2Å; I315-E317 PolarHBondContact O-N 2.86Å; I315-E317 VanDerWaalsContact O-N 3.15Å; E317-S340 WeakPolarHBondContact O-CB 3.46Å; E317-S340 PolarHBondContact O-OG 3.41Å; E317-N349 PolarHBondContact N-OD1 3.33Å; E317-N349 PolarHBondContact OE2-OD1 2.94Å; E317-N349 VanDerWaalsContact OE2-OD1 3.09Å; E317-F354 HydrophobicContact CB-CB 3.97Å; E317-F354 HydrophobicContact CB-CD1 3.62Å; E317-F354 HydrophobicContact CB-CG 3.89Å; E317-F354 HydrophobicContact CG-CD1 3.77Å |
| 318 | C | 87.6 | Confident | 70.4 | Confident | 20 Ų | 20 | 94 Ų | 94 | 14% | 0.135 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -13.9 | 174.8 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | D316 M320 T338 C347 E348 N349 | D316-C318 PolarHBondContact O-N 3.01Å; D316-C318 WeakPolarHBondContact OD1-CA 3.35Å; D316-C318 WeakPolarHBondContact OD1-CB 3.41Å; D316-C318 PolarHBondContact OD1-N 3.15Å; C318-M320 PolarHBondContact O-N 3.42Å; C318-T338 WeakPolarHBondContact O-CG2 3.46Å; C318-C347 WeakPolarHBondContact CA-SG 3.39Å; C318-C347 HydrophobicContact CB-CB 3.77Å; C318-C347 WeakPolarHBondContact CB-SG 3.32Å; C318-C347 WeakPolarHBondContact SG-CB 3.47Å; C318-C347 CovalentContact SG-SG 2.04Å; C318-C347 PolarHBondContact SG-SG 2.82Å; C318-E348 PolarHBondContact SG-N 2.85Å; C318-E348 VanDerWaalsContact SG-N 3.43Å; C318-N349 HydrophobicContact CB-CB 4.41Å; C318-N349 PolarHBondContact SG-N 3.32Å |
| 319 | A | 84.6 | Confident | 67.8 | Low | 50 Ų | 50 | 100.7 Ų | 100.7 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -62.7 | 130.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D316 K321 | D316-A319 HydrophobicContact CB-CB 4.01Å; D316-A319 WeakPolarHBondContact O-CB 3.43Å; D316-A319 PolarHBondContact O-N 3.47Å; D316-A319 PolarHBondContact OD1-N 3.2Å; A319-K321 PolarHBondContact O-N 3.07Å |
| 320 | M | 65.1 | Low | 65 | Low | 111 Ų | 111 | 99.6 Ų | 99.6 | 55% | 0.547 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -62 | 124.9 | 174.9 | -75.9 | -173.8 | 158.9 | 0 | 0 | 109.5 | C318 | C318-M320 PolarHBondContact O-N 3.42Š|
| 321 | K | 56.4 | Low | 62.5 | Low | 155 Ų | 155 | 101.9 Ų | 101.9 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.6 | 165.6 | -93.2 | -177.4 | 177.1 | 176.7 | 0 | 107.7 | A319 N323 | A319-K321 PolarHBondContact O-N 3.07Å; K321-N323 PolarHBondContact O-N 3.15Å |
| 322 | P | 46.9 | Very low | 59.8 | Low | 108 Ų | 108 | 107.9 Ų | 107.9 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | trans | -62 | 115.2 | 166.7 | 18.8 | -18.5 | 0 | 0 | 0 | 106.5 | N324 | P322-N324 PolarHBondContact O-N 3.01Š| ||
| 323 | N | 44.7 | Very low | 57.2 | Low | 151 Ų | 151 | 113.3 Ų | 113.3 | 81% | 0.807 | 62% | 0.617 | S | S | * | * | trans | -58.3 | 101.6 | 174.2 | -84.9 | -11.8 | 0 | 0 | 0 | 107.7 | K321 N325 | K321-N323 PolarHBondContact O-N 3.15Å; N323-N325 PolarHBondContact O-N 3.11Å; N323-N325 VanDerWaalsContact O-N 3.15Å | ||
| 324 | N | 34.8 | Very low | 54.6 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 76% | 0.759 | 63% | 0.628 | S | S | * | * | trans | -70.4 | 108 | 163.3 | -73 | -19.1 | 0 | 0 | 0 | 106.4 | P322 | P322-N324 PolarHBondContact O-N 3.01Š| ||
| 325 | N | 33.3 | Very low | 52.3 | Low | 144 Ų | 144 | 117.7 Ų | 117.7 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 106.7 | 109.1 | 165.5 | -50.2 | -18.7 | 0 | 0 | 0 | 115.9 | N323 | N323-N325 PolarHBondContact O-N 3.11Å; N323-N325 VanDerWaalsContact O-N 3.15Å |
| 326 | D | 34.1 | Very low | 50.2 | Low | 161 Ų | 161 | 119.9 Ų | 119.9 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | 39.7 | 97.3 | 142.4 | -71.2 | -27.7 | 0 | 0 | 0 | 119.2 | ||||
| 327 | S | 37.8 | Very low | 48.3 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 79% | 0.79 | 65% | 0.648 | S | S | * | * | -168.6 | 117.6 | 121.6 | 54 | 0 | 0 | 0 | 0 | 110.5 | E329 | S327-E329 PolarHBondContact O-N 2.03Š| |||
| 328 | N | 33.5 | Very low | 46.9 | Very low | 176 Ų | 176 | 119.5 Ų | 119.5 | 94% | 0.941 | 64% | 0.644 | S | S | * | * | trans | -56.5 | 99.9 | 162.3 | -76.2 | -35 | 0 | 0 | 0 | 109.9 | ||||
| 329 | E | 39.1 | Very low | 46 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -148.4 | 132.8 | 150.3 | -124.3 | 173 | -170.8 | 0 | 0 | 108.2 | S327 I331 | S327-E329 PolarHBondContact O-N 2.03Å; E329-I331 VanDerWaalsContact C-N 3.32Å; E329-I331 PolarHBondContact O-N 2.95Å | ||
| 330 | S | 34.8 | Very low | 45.9 | Very low | 124 Ų | 124 | 120.7 Ų | 120.7 | 87% | 0.867 | 65% | 0.649 | S | S | * | * | trans | -63.3 | 86.7 | -178.2 | 34.6 | 0 | 0 | 0 | 0 | 110.3 | N332 | S330-N332 PolarHBondContact O-N 3.4Å; S330-N332 VanDerWaalsContact O-N 3.12Å | ||
| 331 | I | 42.8 | Very low | 46.9 | Very low | 129 Ų | 129 | 115.8 Ų | 115.8 | 66% | 0.662 | 63% | 0.626 | S | S | * | * | trans | -73.7 | 109.2 | 170.5 | -56.6 | 177.7 | 0 | 0 | 0 | 107.5 | E329 M333 | E329-I331 VanDerWaalsContact C-N 3.32Å; E329-I331 PolarHBondContact O-N 2.95Å; I331-M333 PolarHBondContact O-N 2.85Å | ||
| 332 | N | 36.7 | Very low | 48.4 | Very low | 127 Ų | 127 | 110 Ų | 110 | 68% | 0.679 | 60% | 0.604 | S | S | * | * | trans | -41.7 | 132.1 | 172.6 | -171.1 | -3.8 | 0 | 0 | 0 | 111.8 | S330 N334 | S330-N332 PolarHBondContact O-N 3.4Å; S330-N332 VanDerWaalsContact O-N 3.12Å; N332-N334 PolarHBondContact O-N 2.79Å | ||
| 333 | M | 39.1 | Very low | 50.2 | Low | 179 Ų | 179 | 107.6 Ų | 107.6 | 88% | 0.882 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 29.8 | -164.9 | -151.2 | -179.4 | -71.1 | 0 | 0 | 114.8 | I331 | I331-M333 PolarHBondContact O-N 2.85Š|
| 334 | N | 37.7 | Very low | 51.8 | Low | 135 Ų | 135 | 102 Ų | 102 | 72% | 0.722 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 12.1 | -173.5 | -75.7 | -28.8 | 0 | 0 | 0 | 115.7 | N332 | N332-N334 PolarHBondContact O-N 2.79Š|
| 335 | H | 41.8 | Very low | 54.3 | Low | 100 Ų | 100 | 95.7 Ų | 95.7 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | trans | -131.1 | 105.6 | 172.4 | -90.6 | -76.6 | 0 | 0 | 0 | 112.2 | I337 V343 | H335-I337 PolarHBondContact O-N 3.43Å; H335-V343 PolarHBondContact CE1-O 3.39Å; H335-V343 PolarHBondContact ND1-O 2.86Å | ||
| 336 | H | 46.2 | Very low | 56.8 | Low | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | trans | -63.7 | 91.4 | 172.9 | -89.8 | -80.9 | 0 | 0 | 0 | 110.7 | T338 | H336-T338 HydrophobicContact CB-CG2 4.27Å; H336-T338 PolarHBondContact O-N 2.04Å; H336-T338 VanDerWaalsContact O-N 3.07Å | ||
| 337 | I | 50.3 | Low | 59.4 | Low | 98 Ų | 98 | 87.6 Ų | 87.6 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | trans | -78.8 | 79.9 | 159.8 | -56.8 | 167.9 | 0 | 0 | 0 | 106.5 | H335 V343 | H335-I337 PolarHBondContact O-N 3.43Å; I337-V343 HydrophobicContact CD1-CG1 4.41Å; I337-V343 HydrophobicContact CG1-CG1 3.71Å | ||
| 338 | T | 58.1 | Low | 61.7 | Low | 4 Ų | 4 | 85.7 Ų | 85.7 | 3% | 0.025 | 46% | 0.46 | C | S | . | . | trans | -81.5 | 141 | 162.7 | 66.8 | 0 | 0 | 0 | 0 | 106.7 | C318 H336 S340 C341 C347 | C318-T338 WeakPolarHBondContact O-CG2 3.46Å; H336-T338 HydrophobicContact CB-CG2 4.27Å; H336-T338 PolarHBondContact O-N 2.04Å; H336-T338 VanDerWaalsContact O-N 3.07Å; T338-S340 PolarHBondContact O-N 2.9Å; T338-C341 PolarHBondContact O-N 3.33Å; T338-C341 PolarHBondContact OG1-N 3.29Å; T338-C347 HydrophobicContact CG2-CB 4.27Å | ||
| 339 | S | 67.9 | Low | 64.3 | Low | 82 Ų | 82 | 79.8 Ų | 79.8 | 57% | 0.573 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -7.7 | -177.4 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 340 | S | 82.7 | Confident | 66.6 | Low | 13 Ų | 13 | 74.4 Ų | 74.4 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -29.4 | -169.7 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | E317 T338 F354 R366 | E317-S340 WeakPolarHBondContact O-CB 3.46Å; E317-S340 PolarHBondContact O-OG 3.41Å; T338-S340 PolarHBondContact O-N 2.9Å; S340-F354 WeakPolarHBondContact O-CE2 3.45Å; S340-R366 VanDerWaalsContact CA-NH1 3.27Å; S340-R366 WeakPolarHBondContact O-CD 3.43Å; S340-R366 VanDerWaalsContact O-CG 3.27Å; S340-R366 WeakPolarHBondContact O-CG 3.42Å; S340-R366 PolarHBondContact O-NH1 2.88Å |
| 341 | C | 86 | Confident | 69.2 | Low | 9 Ų | 9 | 75 Ų | 75 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -122.4 | 152.3 | 178.8 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | T338 S345 C356 | T338-C341 PolarHBondContact O-N 3.33Å; T338-C341 PolarHBondContact OG1-N 3.29Å; C341-S345 WeakPolarHBondContact CB-OG 3.29Å; C341-C356 HydrophobicContact CB-CB 3.8Å; C341-C356 WeakPolarHBondContact CB-SG 3.06Å; C341-C356 WeakPolarHBondContact SG-CB 3.49Å; C341-C356 CovalentContact SG-SG 2.03Å; C341-C356 PolarHBondContact SG-SG 3.4Å |
| 342 | S | 87.7 | Confident | 71.1 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | trans | -68.5 | 160.7 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | N344 S345 R366 C367 | S342-N344 PolarHBondContact O-N 3Å; S342-N344 VanDerWaalsContact O-N 3.08Å; S342-S345 PolarHBondContact O-N 3.02Å; S342-S345 PolarHBondContact O-OG 2.8Å; S342-R366 VanDerWaalsContact CB-O 3.24Å; S342-R366 WeakPolarHBondContact CB-O 3.35Å; S342-R366 PolarHBondContact N-O 3.34Å; S342-C367 WeakPolarHBondContact CB-O 3.37Å; S342-C367 PolarHBondContact OG-O 3.15Å | ||
| 343 | V | 84.3 | Confident | 73.3 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29 | 179.4 | -73.5 | 0 | 0 | 0 | 0 | 114.4 | H335 I337 S345 | H335-V343 PolarHBondContact CE1-O 3.39Å; H335-V343 PolarHBondContact ND1-O 2.86Å; I337-V343 HydrophobicContact CD1-CG1 4.41Å; I337-V343 HydrophobicContact CG1-CG1 3.71Å; V343-S345 PolarHBondContact O-N 2.84Å |
| 344 | N | 79.2 | Confident | 75.5 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 42.6 | -179.1 | -64.1 | -44.7 | 0 | 0 | 0 | 111.8 | S342 Q359 W362 | S342-N344 PolarHBondContact O-N 3Å; S342-N344 VanDerWaalsContact O-N 3.08Å; N344-Q359 PolarHBondContact O-N 3.19Å; N344-W362 HydrophobicContact CB-CD2 4.21Å; N344-W362 HydrophobicContact CB-CG 3.91Å; N344-W362 WeakPolarHBondContact ND2-CZ2 3.19Å; N344-W362 PolarHBondContact ND2-NE1 3.03Å; N344-W362 VanDerWaalsContact ND2-NE1 3.19Å |
| 345 | S | 86.2 | Confident | 77.8 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 164 | -177.1 | 72.8 | 0 | 0 | 0 | 0 | 114.3 | C341 S342 V343 F357 C367 | C341-S345 WeakPolarHBondContact CB-OG 3.29Å; S342-S345 PolarHBondContact O-N 3.02Å; S342-S345 PolarHBondContact O-OG 2.8Å; V343-S345 PolarHBondContact O-N 2.84Å; S345-F357 CarbonylContact C-O 3.48Å; S345-F357 WeakPolarHBondContact CA-O 3.3Å; S345-F357 VanDerWaalsContact CB-O 3.3Å; S345-F357 WeakPolarHBondContact CB-O 3.29Å; S345-C367 WeakPolarHBondContact CB-SG 3.37Å |
| 346 | M | 87.1 | Confident | 79.9 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137 | 168.9 | -175.8 | 179.9 | 74.5 | 0 | 0 | 109.4 | C356 F357 | M346-C356 CarbonylContact O-C 3.47Å; M346-C356 WeakPolarHBondContact O-CA 3.5Å; M346-F357 HydrophobicContact CB-CB 4.32Å; M346-F357 HydrophobicContact CE-CB 4.46Å; M346-F357 HydrophobicContact CE-CD2 3.74Å; M346-F357 HydrophobicContact CE-CE2 4.24Å; M346-F357 HydrophobicContact CE-CG 4.22Å; M346-F357 PolarHBondContact N-O 3.08Å; M346-F357 PolarHBondContact O-N 2.87Å |
| 347 | C | 87.8 | Confident | 81.9 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134 | -176.1 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | C318 T338 | C318-C347 WeakPolarHBondContact CA-SG 3.39Å; C318-C347 HydrophobicContact CB-CB 3.77Å; C318-C347 WeakPolarHBondContact CB-SG 3.32Å; C318-C347 WeakPolarHBondContact SG-CB 3.47Å; C318-C347 CovalentContact SG-SG 2.04Å; C318-C347 PolarHBondContact SG-SG 2.82Å; T338-C347 HydrophobicContact CG2-CB 4.27Å |
| 348 | E | 87.7 | Confident | 83.6 | Confident | 72 Ų | 72 | 45 Ų | 45 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.5 | 170.9 | 172.1 | -176 | -146.5 | 0 | 0 | 109.3 | C318 L350 F354 R355 F357 | C318-E348 PolarHBondContact SG-N 2.85Å; C318-E348 VanDerWaalsContact SG-N 3.43Å; E348-L350 HydrophobicContact CG-CD2 3.94Å; E348-L350 HydrophobicContact CG-CG 4.47Å; E348-F354 CarbonylContact O-C 3.56Å; E348-F354 WeakPolarHBondContact O-CA 3.22Å; E348-R355 HydrophobicContact CB-CB 4.43Å; E348-R355 PolarHBondContact N-O 3.28Å; E348-R355 PolarHBondContact O-N 3.21Å; E348-R355 IonicContact OE2-CZ 2.91Å; E348-R355 IonicContact OE2-NE 3.57Å; E348-R355 IonicContact OE2-NH1 2.79Å; E348-R355 PolarHBondContact OE2-NH1 2.85Å; E348-F357 HydrophobicContact CB-CE2 3.76Å; E348-F357 WeakPolarHBondContact OE2-CE2 3.23Å; E348-F357 WeakPolarHBondContact OE2-CZ 3.4Å |
| 349 | N | 86.7 | Confident | 85 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.9 | 175.1 | -166.2 | 61.7 | 0 | 0 | 0 | 110.3 | D314 I315 D316 E317 C318 | D314-N349 PolarHBondContact OD2-ND2 2.63Å; I315-N349 PolarHBondContact O-OD1 2.03Å; D316-N349 WeakPolarHBondContact CA-OD1 3.27Å; E317-N349 PolarHBondContact N-OD1 3.33Å; E317-N349 PolarHBondContact OE2-OD1 2.94Å; E317-N349 VanDerWaalsContact OE2-OD1 3.09Å; C318-N349 HydrophobicContact CB-CB 4.41Å; C318-N349 PolarHBondContact SG-N 3.32Å |
| 350 | L | 87.9 | Confident | 85.8 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 163.5 | 178.9 | -56.4 | 174.9 | 0 | 0 | 0 | 108.9 | E348 G352 N353 R355 | E348-L350 HydrophobicContact CG-CD2 3.94Å; E348-L350 HydrophobicContact CG-CG 4.47Å; L350-G352 PolarHBondContact O-N 3.07Å; L350-G352 VanDerWaalsContact O-N 3.08Å; L350-N353 CarbonylContact C-O 3.51Å; L350-N353 VanDerWaalsContact C-O 3.24Å; L350-N353 VanDerWaalsContact CA-O 3.23Å; L350-N353 WeakPolarHBondContact CA-O 3.33Å; L350-N353 HydrophobicContact CB-CB 4.36Å; L350-N353 VanDerWaalsContact CB-O 3.31Å; L350-N353 WeakPolarHBondContact CB-O 3.4Å; L350-N353 PolarHBondContact N-O 2.87Å; L350-N353 PolarHBondContact O-N 3.27Å; L350-N353 VanDerWaalsContact O-N 3.17Å; L350-R355 HydrophobicContact CD1-CB 4.05Å |
| 351 | Y | 88.5 | Confident | 85.8 | Confident | 137 Ų | 137 | 57.6 Ų | 57.6 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 113.6 | 178.3 | -170.1 | -100.6 | 0 | 0 | 0 | 111.3 | N278 F306 D314 N353 | N278-Y351 PolarHBondContact ND2-OH 3.24Å; F306-Y351 HydrophobicContact CE1-CD1 4.09Å; F306-Y351 HydrophobicContact CE1-CD2 4.37Å; F306-Y351 AromaticContact CE1-CE1 3.6Å; F306-Y351 HydrophobicContact CE1-CE1 3.6Å; F306-Y351 AromaticContact CE1-CE2 3.92Å; F306-Y351 HydrophobicContact CE1-CE2 3.92Å; F306-Y351 HydrophobicContact CE1-CG 4.47Å; F306-Y351 AromaticContact CE1-CZ 3.51Å; F306-Y351 AromaticContact CZ-CD1 3.88Å; F306-Y351 HydrophobicContact CZ-CD1 3.88Å; F306-Y351 AromaticContact CZ-CE1 3.6Å; F306-Y351 HydrophobicContact CZ-CE1 3.6Å; D314-Y351 HydrophobicContact CB-CD2 4.13Å; D314-Y351 HydrophobicContact CB-CE2 4.31Å; Y351-N353 VanDerWaalsContact C-N 3.29Å |
| 352 | G | 84.1 | Confident | 85.9 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 14.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F306 D314 L350 | F306-G352 VanDerWaalsContact CE2-CA 3.5Å; D314-G352 WeakPolarHBondContact OD1-CA 3.16Å; D314-G352 PolarHBondContact OD1-N 2.97Å; L350-G352 PolarHBondContact O-N 3.07Å; L350-G352 VanDerWaalsContact O-N 3.08Å |
| 353 | N | 83.1 | Confident | 85.8 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 177.4 | -171.3 | -130.5 | -45.5 | 0 | 0 | 0 | 113.9 | L350 Y351 G386 L387 | L350-N353 CarbonylContact C-O 3.51Å; L350-N353 VanDerWaalsContact C-O 3.24Å; L350-N353 VanDerWaalsContact CA-O 3.23Å; L350-N353 WeakPolarHBondContact CA-O 3.33Å; L350-N353 HydrophobicContact CB-CB 4.36Å; L350-N353 VanDerWaalsContact CB-O 3.31Å; L350-N353 WeakPolarHBondContact CB-O 3.4Å; L350-N353 PolarHBondContact N-O 2.87Å; L350-N353 PolarHBondContact O-N 3.27Å; L350-N353 VanDerWaalsContact O-N 3.17Å; Y351-N353 VanDerWaalsContact C-N 3.29Å; N353-G386 WeakPolarHBondContact ND2-CA 3.46Å; N353-L387 PolarHBondContact ND2-N 3.32Å; N353-L387 WeakPolarHBondContact OD1-CD1 3.5Å; N353-L387 PolarHBondContact OD1-N 2.84Å |
| 354 | F | 85.5 | Confident | 85.6 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 162.6 | 172.1 | 63.6 | -77 | 0 | 0 | 0 | 111.7 | E317 S340 E348 R366 | E317-F354 HydrophobicContact CB-CB 3.97Å; E317-F354 HydrophobicContact CB-CD1 3.62Å; E317-F354 HydrophobicContact CB-CG 3.89Å; E317-F354 HydrophobicContact CG-CD1 3.77Å; S340-F354 WeakPolarHBondContact O-CE2 3.45Å; E348-F354 CarbonylContact O-C 3.56Å; E348-F354 WeakPolarHBondContact O-CA 3.22Å; F354-R366 HydrophobicContact CE2-CG 4.41Å; F354-R366 HydrophobicContact CZ-CG 4.46Å |
| 355 | R | 84.2 | Confident | 85.6 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 32% | 0.317 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.1 | 173.9 | 179.5 | -173.3 | -69.9 | 152.5 | -8.7 | 110 | E348 L350 F357 | E348-R355 HydrophobicContact CB-CB 4.43Å; E348-R355 PolarHBondContact N-O 3.28Å; E348-R355 PolarHBondContact O-N 3.21Å; E348-R355 IonicContact OE2-CZ 2.91Å; E348-R355 IonicContact OE2-NE 3.57Å; E348-R355 IonicContact OE2-NH1 2.79Å; E348-R355 PolarHBondContact OE2-NH1 2.85Å; L350-R355 HydrophobicContact CD1-CB 4.05Å; R355-F357 VanDerWaalsContact CD-CZ 3.43Å; R355-F357 HydrophobicContact CG-CE2 4.3Å; R355-F357 HydrophobicContact CG-CZ 4.29Å |
| 356 | C | 87.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.8 | 171.6 | -48 | 0 | 0 | 0 | 0 | 110 | C341 M346 L365 C367 | C341-C356 HydrophobicContact CB-CB 3.8Å; C341-C356 WeakPolarHBondContact CB-SG 3.06Å; C341-C356 WeakPolarHBondContact SG-CB 3.49Å; C341-C356 CovalentContact SG-SG 2.03Å; C341-C356 PolarHBondContact SG-SG 3.4Å; M346-C356 CarbonylContact O-C 3.47Å; M346-C356 WeakPolarHBondContact O-CA 3.5Å; C356-L365 PolarHBondContact SG-O 3.27Å; C356-C367 VanDerWaalsContact CB-SG 3.56Å |
| 357 | F | 87.2 | Confident | 85.5 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 110.5 | 171.1 | -63.3 | -85.5 | 0 | 0 | 0 | 109.3 | S345 M346 E348 R355 | S345-F357 CarbonylContact C-O 3.48Å; S345-F357 WeakPolarHBondContact CA-O 3.3Å; S345-F357 VanDerWaalsContact CB-O 3.3Å; S345-F357 WeakPolarHBondContact CB-O 3.29Å; M346-F357 HydrophobicContact CB-CB 4.32Å; M346-F357 HydrophobicContact CE-CB 4.46Å; M346-F357 HydrophobicContact CE-CD2 3.74Å; M346-F357 HydrophobicContact CE-CE2 4.24Å; M346-F357 HydrophobicContact CE-CG 4.22Å; M346-F357 PolarHBondContact N-O 3.08Å; M346-F357 PolarHBondContact O-N 2.87Å; E348-F357 HydrophobicContact CB-CE2 3.76Å; E348-F357 WeakPolarHBondContact OE2-CE2 3.23Å; E348-F357 WeakPolarHBondContact OE2-CZ 3.4Å; R355-F357 VanDerWaalsContact CD-CZ 3.43Å; R355-F357 HydrophobicContact CG-CE2 4.3Å; R355-F357 HydrophobicContact CG-CZ 4.29Å |
| 358 | C | 86.5 | Confident | 85.4 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 137.6 | -172.9 | -48.3 | 0 | 0 | 0 | 0 | 112.6 | W362 C367 | C358-W362 HydrophobicContact CB-CB 4.13Å; C358-W362 WeakPolarHBondContact CB-O 3Å; C358-C367 WeakPolarHBondContact CA-SG 3.33Å; C358-C367 HydrophobicContact CB-CB 3.73Å; C358-C367 WeakPolarHBondContact CB-SG 3.48Å; C358-C367 PolarHBondContact N-SG 3.35Å; C358-C367 VanDerWaalsContact N-SG 3.4Å; C358-C367 WeakPolarHBondContact SG-CA 3.39Å; C358-C367 WeakPolarHBondContact SG-CB 3.26Å; C358-C367 CovalentContact SG-SG 2.03Å; C358-C367 PolarHBondContact SG-SG 3.16Å |
| 359 | Q | 86.9 | Confident | 85.5 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | trans | -100.1 | 165.2 | 174.7 | -64.2 | -177.4 | -11.4 | 0 | 0 | 111 | N344 Q361 W362 | N344-Q359 PolarHBondContact O-N 3.19Å; Q359-Q361 VanDerWaalsContact C-N 3.27Å; Q359-Q361 PolarHBondContact O-N 3.44Å; Q359-Q361 VanDerWaalsContact O-N 3.11Å; Q359-W362 WeakPolarHBondContact O-CB 3.49Å; Q359-W362 PolarHBondContact O-N 2.85Å | ||
| 360 | N | 84.2 | Confident | 85.7 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 66% | 0.658 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.5 | 170.5 | -59.2 | -30.4 | 0 | 0 | 0 | 114.6 | W362 P371 | N360-W362 PolarHBondContact O-N 3.38Å; N360-W362 VanDerWaalsContact O-N 3.15Å; N360-P371 WeakPolarHBondContact O-CG 3.47Å |
| 361 | Q | 84.2 | Confident | 85.8 | Confident | 146 Ų | 146 | 57.7 Ų | 57.7 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 13.5 | -180 | -53 | 175.7 | -5 | 0 | 0 | 115.4 | Q359 P371 | Q359-Q361 VanDerWaalsContact C-N 3.27Å; Q359-Q361 PolarHBondContact O-N 3.44Å; Q359-Q361 VanDerWaalsContact O-N 3.11Å; Q361-P371 HydrophobicContact CB-CB 4Å; Q361-P371 HydrophobicContact CB-CG 4.1Å |
| 362 | W | 87.5 | Confident | 85.9 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | trans | -64.1 | 149.7 | 167.3 | -73.3 | 74.5 | 0 | 0 | 0 | 110.1 | N344 C358 Q359 N360 C367 T369 P370 | N344-W362 HydrophobicContact CB-CD2 4.21Å; N344-W362 HydrophobicContact CB-CG 3.91Å; N344-W362 WeakPolarHBondContact ND2-CZ2 3.19Å; N344-W362 PolarHBondContact ND2-NE1 3.03Å; N344-W362 VanDerWaalsContact ND2-NE1 3.19Å; C358-W362 HydrophobicContact CB-CB 4.13Å; C358-W362 WeakPolarHBondContact CB-O 3Å; Q359-W362 WeakPolarHBondContact O-CB 3.49Å; Q359-W362 PolarHBondContact O-N 2.85Å; N360-W362 PolarHBondContact O-N 3.38Å; N360-W362 VanDerWaalsContact O-N 3.15Å; W362-C367 HydrophobicContact CB-CB 4.49Å; W362-C367 VanDerWaalsContact CE3-O 3.28Å; W362-T369 WeakPolarHBondContact CA-O 3.45Å; W362-T369 VanDerWaalsContact CE3-C 3.5Å; W362-T369 VanDerWaalsContact CE3-O 3.26Å; W362-P370 HydrophobicContact CE3-CB 4.4Å; W362-P370 HydrophobicContact CH2-CB 3.88Å; W362-P370 HydrophobicContact CZ2-CB 4.31Å; W362-P370 HydrophobicContact CZ3-CB 3.93Å | ||
| 363 | T | 85.3 | Confident | 86.3 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -138.8 | 179.1 | -175.9 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | C367 N368 T369 P380 V382 | T363-C367 CarbonylContact O-C 3.5Å; T363-C367 VanDerWaalsContact O-CA 3.31Å; T363-C367 WeakPolarHBondContact O-CA 3.28Å; T363-N368 PolarHBondContact O-N 3.04Å; T363-T369 PolarHBondContact N-O 2.52Å; T363-T369 WeakPolarHBondContact O-CB 3.42Å; T363-T369 PolarHBondContact O-N 3.28Å; T363-T369 PolarHBondContact O-OG1 3.36Å; T363-T369 WeakPolarHBondContact OG1-CB 3.45Å; T363-P380 HydrophobicContact CG2-CG 4.43Å; T363-V382 HydrophobicContact CG2-CG1 3.91Å |
| 364 | G | 80.6 | Confident | 86.7 | Confident | 12 Ų | 12 | 55 Ų | 55 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 88.4 | 162.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R366 C367 | G364-R366 PolarHBondContact O-N 3.41Å; G364-C367 PolarHBondContact O-N 3.15Å |
| 365 | L | 78.3 | Confident | 86.9 | Confident | 91 Ų | 91 | 55 Ų | 55 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.1 | -170.9 | -53.4 | -177.5 | 0 | 0 | 0 | 114.2 | C356 I381 S384 | C356-L365 PolarHBondContact SG-O 3.27Å; L365-I381 HydrophobicContact CD2-CG2 4.27Å; L365-S384 VanDerWaalsContact CD2-CA 3.42Å |
| 366 | R | 84.5 | Confident | 86.8 | Confident | 106 Ų | 106 | 57.5 Ų | 57.5 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 13.2 | 178.8 | -59.9 | -177 | -179.9 | -93.8 | 1.6 | 112.6 | S340 S342 F354 G364 N368 | S340-R366 VanDerWaalsContact CA-NH1 3.27Å; S340-R366 WeakPolarHBondContact O-CD 3.43Å; S340-R366 VanDerWaalsContact O-CG 3.27Å; S340-R366 WeakPolarHBondContact O-CG 3.42Å; S340-R366 PolarHBondContact O-NH1 2.88Å; S342-R366 VanDerWaalsContact CB-O 3.24Å; S342-R366 WeakPolarHBondContact CB-O 3.35Å; S342-R366 PolarHBondContact N-O 3.34Å; F354-R366 HydrophobicContact CE2-CG 4.41Å; F354-R366 HydrophobicContact CZ-CG 4.46Å; G364-R366 PolarHBondContact O-N 3.41Å; R366-N368 PolarHBondContact O-N 2.95Å |
| 367 | C | 87.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 55.1 | 34.6 | -175 | -51 | 0 | 0 | 0 | 0 | 113.6 | S342 S345 C356 C358 W362 T363 G364 | S342-C367 WeakPolarHBondContact CB-O 3.37Å; S342-C367 PolarHBondContact OG-O 3.15Å; S345-C367 WeakPolarHBondContact CB-SG 3.37Å; C356-C367 VanDerWaalsContact CB-SG 3.56Å; C358-C367 WeakPolarHBondContact CA-SG 3.33Å; C358-C367 HydrophobicContact CB-CB 3.73Å; C358-C367 WeakPolarHBondContact CB-SG 3.48Å; C358-C367 PolarHBondContact N-SG 3.35Å; C358-C367 VanDerWaalsContact N-SG 3.4Å; C358-C367 WeakPolarHBondContact SG-CA 3.39Å; C358-C367 WeakPolarHBondContact SG-CB 3.26Å; C358-C367 CovalentContact SG-SG 2.03Å; C358-C367 PolarHBondContact SG-SG 3.16Å; W362-C367 HydrophobicContact CB-CB 4.49Å; W362-C367 VanDerWaalsContact CE3-O 3.28Å; T363-C367 CarbonylContact O-C 3.5Å; T363-C367 VanDerWaalsContact O-CA 3.31Å; T363-C367 WeakPolarHBondContact O-CA 3.28Å; G364-C367 PolarHBondContact O-N 3.15Å |
| 368 | N | 86.5 | Confident | 86.3 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | trans | -95.5 | -6.7 | -178.8 | 65.7 | -36.8 | 0 | 0 | 0 | 113 | T363 R366 | T363-N368 PolarHBondContact O-N 3.04Å; R366-N368 PolarHBondContact O-N 2.95Å | ||
| 369 | T | 88.9 | Confident | 85.9 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.129 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -92.8 | 119.5 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 108.5 | V214 W362 T363 W374 | V214-T369 HydrophobicContact CG1-CG2 3.56Å; W362-T369 WeakPolarHBondContact CA-O 3.45Å; W362-T369 VanDerWaalsContact CE3-C 3.5Å; W362-T369 VanDerWaalsContact CE3-O 3.26Å; T363-T369 PolarHBondContact N-O 2.52Å; T363-T369 WeakPolarHBondContact O-CB 3.42Å; T363-T369 PolarHBondContact O-N 3.28Å; T363-T369 PolarHBondContact O-OG1 3.36Å; T363-T369 WeakPolarHBondContact OG1-CB 3.45Å; T369-W374 HydrophobicContact CG2-CH2 4.41Å; T369-W374 HydrophobicContact CG2-CZ2 3.96Å |
| 370 | P | 91.2 | Very high | 85.1 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | trans | -64.3 | 163.9 | -178.4 | 28.3 | -34.9 | 0 | 0 | 0 | 111.2 | D207 V214 W362 T372 | D207-P370 HydrophobicContact CB-CG 4.29Å; V214-P370 HydrophobicContact CG2-CG 4.05Å; W362-P370 HydrophobicContact CE3-CB 4.4Å; W362-P370 HydrophobicContact CH2-CB 3.88Å; W362-P370 HydrophobicContact CZ2-CB 4.31Å; W362-P370 HydrophobicContact CZ3-CB 3.93Å; P370-T372 WeakPolarHBondContact O-CB 3.28Å; P370-T372 PolarHBondContact O-N 3.41Å; P370-T372 PolarHBondContact O-OG1 2.87Å | ||
| 371 | P | 90.1 | Very high | 84.3 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -52.1 | 115.9 | 170.9 | -28.1 | 38.6 | 0 | 0 | 0 | 110.4 | I208 N360 Q361 | I208-P371 HydrophobicContact CD1-CB 3.43Å; I208-P371 VanDerWaalsContact CD1-CB 3.43Å; I208-P371 HydrophobicContact CG1-CB 3.83Å; I208-P371 WeakPolarHBondContact CG1-O 3.26Å; I208-P371 PolarHBondContact N-O 3.08Å; N360-P371 WeakPolarHBondContact O-CG 3.47Å; Q361-P371 HydrophobicContact CB-CB 4Å; Q361-P371 HydrophobicContact CB-CG 4.1Å |
| 372 | T | 90.7 | Very high | 83 | Confident | 20 Ų | 20 | 64 Ų | 64 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.7 | -166.8 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | C206 V214 P370 W374 | C206-T372 CarbonylContact O-C 2.97Å; C206-T372 WeakPolarHBondContact O-CA 3.36Å; V214-T372 HydrophobicContact CB-CG2 3.92Å; V214-T372 HydrophobicContact CG1-CG2 4.38Å; V214-T372 HydrophobicContact CG2-CG2 4.24Å; P370-T372 WeakPolarHBondContact O-CB 3.28Å; P370-T372 PolarHBondContact O-N 3.41Å; P370-T372 PolarHBondContact O-OG1 2.87Å; T372-W374 HydrophobicContact CG2-CD2 3.75Å; T372-W374 HydrophobicContact CG2-CE3 4Å; T372-W374 HydrophobicContact CG2-CG 4.36Å; T372-W374 HydrophobicContact CG2-CH2 3.95Å; T372-W374 HydrophobicContact CG2-CZ2 3.67Å; T372-W374 HydrophobicContact CG2-CZ3 4.09Å; T372-W374 VanDerWaalsContact O-CD1 3.3Å; T372-W374 PolarHBondContact O-N 3.25Å |
| 373 | L | 91.2 | Very high | 81.2 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 112.5 | 166.1 | -175.5 | 73.5 | 0 | 0 | 0 | 108.8 | E148 P197 G205 C206 I208 | E148-L373 HydrophobicContact CG-CD1 4.35Å; E148-L373 HydrophobicContact CG-CD2 3.79Å; P197-L373 HydrophobicContact CG-CB 4.48Å; P197-L373 HydrophobicContact CG-CD2 3.94Å; P197-L373 HydrophobicContact CG-CG 4.04Å; P197-L373 WeakPolarHBondContact CG-O 3.46Å; G205-L373 CarbonylContact C-O 3.46Å; G205-L373 WeakPolarHBondContact CA-O 3.49Å; C206-L373 PolarHBondContact N-O 2.78Å; C206-L373 PolarHBondContact O-N 2.88Å; I208-L373 HydrophobicContact CG2-CB 4.25Å |
| 374 | W | 91.6 | Very high | 79.5 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 13% | 0.125 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 158.5 | -178.9 | -65.9 | 108 | 0 | 0 | 0 | 112.5 | V214 I216 T369 T372 Y378 | V214-W374 HydrophobicContact CB-CH2 4.31Å; V214-W374 HydrophobicContact CG1-CH2 3.76Å; V214-W374 HydrophobicContact CG1-CZ2 4.29Å; V214-W374 WeakPolarHBondContact O-CZ3 3.19Å; I216-W374 HydrophobicContact CB-CZ3 4.37Å; I216-W374 HydrophobicContact CG1-CE3 3.87Å; I216-W374 HydrophobicContact CG1-CZ3 3.64Å; T369-W374 HydrophobicContact CG2-CH2 4.41Å; T369-W374 HydrophobicContact CG2-CZ2 3.96Å; T372-W374 HydrophobicContact CG2-CD2 3.75Å; T372-W374 HydrophobicContact CG2-CE3 4Å; T372-W374 HydrophobicContact CG2-CG 4.36Å; T372-W374 HydrophobicContact CG2-CH2 3.95Å; T372-W374 HydrophobicContact CG2-CZ2 3.67Å; T372-W374 HydrophobicContact CG2-CZ3 4.09Å; T372-W374 VanDerWaalsContact O-CD1 3.3Å; T372-W374 PolarHBondContact O-N 3.25Å; W374-Y378 HydrophobicContact CB-CD1 3.76Å; W374-Y378 AromaticContact CD2-CD1 3.53Å; W374-Y378 HydrophobicContact CD2-CD1 3.53Å; W374-Y378 AromaticContact CD2-CE1 3.61Å; W374-Y378 HydrophobicContact CD2-CE1 3.61Å; W374-Y378 AromaticContact CE2-CE1 3.95Å; W374-Y378 AromaticContact CE3-CD1 3.63Å; W374-Y378 HydrophobicContact CE3-CD1 3.63Å; W374-Y378 AromaticContact CE3-CE1 3.7Å; W374-Y378 HydrophobicContact CE3-CE1 3.7Å; W374-Y378 AromaticContact CG-CD1 3.6Å; W374-Y378 HydrophobicContact CG-CD1 3.6Å; W374-Y378 HydrophobicContact CG-CE1 4.05Å; W374-Y378 HydrophobicContact CH2-CE1 4.39Å; W374-Y378 HydrophobicContact CZ2-CE1 4.33Å; W374-Y378 HydrophobicContact CZ3-CD1 4.43Å; W374-Y378 HydrophobicContact CZ3-CE1 4.1Å |
| 375 | P | 90.8 | Very high | 77.8 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 152.3 | 169.5 | -18.2 | 30.1 | 0 | 0 | 0 | 111.8 | P197 Q198 Q199 I216 H377 Y378 | P197-P375 HydrophobicContact CB-CB 4.22Å; P197-P375 HydrophobicContact CB-CG 3.74Å; Q198-P375 VanDerWaalsContact O-CG 3.27Å; Q198-P375 WeakPolarHBondContact O-CG 3.38Å; Q199-P375 HydrophobicContact CB-CB 4.04Å; Q199-P375 HydrophobicContact CB-CG 4.12Å; I216-P375 HydrophobicContact CD1-CG 4.3Å; P375-H377 PolarHBondContact O-N 3.37Å; P375-Y378 PolarHBondContact O-N 3.3Å; P375-Y378 VanDerWaalsContact O-N 3.11Å |
| 376 | D | 82.1 | Confident | 76 | Confident | 137 Ų | 137 | 69.1 Ų | 69.1 | 73% | 0.733 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 139.7 | 173.3 | -64.2 | -38.4 | 0 | 0 | 0 | 110.3 | Q199 Y378 | Q199-D376 PolarHBondContact OE1-O 3.13Å; D376-Y378 PolarHBondContact O-N 2.71Å |
| 377 | H | 80.6 | Confident | 74.1 | Confident | 185 Ų | 185 | 67.7 Ų | 67.7 | 86% | 0.856 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -9.1 | -176.1 | -44 | -74.6 | 0 | 0 | 0 | 116.6 | P375 | P375-H377 PolarHBondContact O-N 3.37Š|
| 378 | Y | 83.9 | Confident | 72.4 | Confident | 38 Ų | 38 | 70 Ų | 70 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | trans | -82.5 | 120.9 | 168.6 | -176 | -102.4 | 0 | 0 | 0 | 110.9 | I216 P217 W374 P375 D376 P380 | I216-Y378 HydrophobicContact CB-CE2 4.37Å; I216-Y378 HydrophobicContact CD1-CD2 4.05Å; I216-Y378 HydrophobicContact CD1-CG 4.09Å; I216-Y378 HydrophobicContact CG1-CD1 4.31Å; I216-Y378 HydrophobicContact CG1-CD2 4.3Å; I216-Y378 HydrophobicContact CG1-CE1 4.29Å; I216-Y378 HydrophobicContact CG1-CE2 4.33Å; I216-Y378 HydrophobicContact CG1-CG 4.31Å; I216-Y378 HydrophobicContact CG2-CD2 3.89Å; I216-Y378 HydrophobicContact CG2-CE1 4.38Å; I216-Y378 HydrophobicContact CG2-CE2 3.3Å; P217-Y378 WeakPolarHBondContact CD-OH 3.43Å; P217-Y378 VanDerWaalsContact CG-OH 3.29Å; P217-Y378 WeakPolarHBondContact CG-OH 3.24Å; W374-Y378 HydrophobicContact CB-CD1 3.76Å; W374-Y378 AromaticContact CD2-CD1 3.53Å; W374-Y378 HydrophobicContact CD2-CD1 3.53Å; W374-Y378 AromaticContact CD2-CE1 3.61Å; W374-Y378 HydrophobicContact CD2-CE1 3.61Å; W374-Y378 AromaticContact CE2-CE1 3.95Å; W374-Y378 AromaticContact CE3-CD1 3.63Å; W374-Y378 HydrophobicContact CE3-CD1 3.63Å; W374-Y378 AromaticContact CE3-CE1 3.7Å; W374-Y378 HydrophobicContact CE3-CE1 3.7Å; W374-Y378 AromaticContact CG-CD1 3.6Å; W374-Y378 HydrophobicContact CG-CD1 3.6Å; W374-Y378 HydrophobicContact CG-CE1 4.05Å; W374-Y378 HydrophobicContact CH2-CE1 4.39Å; W374-Y378 HydrophobicContact CZ2-CE1 4.33Å; W374-Y378 HydrophobicContact CZ3-CD1 4.43Å; W374-Y378 HydrophobicContact CZ3-CE1 4.1Å; P375-Y378 PolarHBondContact O-N 3.3Å; P375-Y378 VanDerWaalsContact O-N 3.11Å; D376-Y378 PolarHBondContact O-N 2.71Å; Y378-P380 HydrophobicContact CE1-CB 3.97Å | ||
| 379 | K | 77.5 | Confident | 70.5 | Confident | 187 Ų | 187 | 69.5 Ų | 69.5 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | trans | -107.9 | 114.8 | 171 | -71.1 | -175 | -179.6 | -179.5 | 0 | 109.2 | ||||
| 380 | P | 70.5 | Confident | 68.6 | Low | 39 Ų | 39 | 69.8 Ų | 69.8 | 25% | 0.253 | 37% | 0.368 | S | S | . | . | trans | -63.6 | 139.7 | 179.2 | 25.1 | -33 | 0 | 0 | 0 | 110.8 | T363 Y378 V382 | T363-P380 HydrophobicContact CG2-CG 4.43Å; Y378-P380 HydrophobicContact CE1-CB 3.97Å; P380-V382 PolarHBondContact O-N 2.92Å | ||
| 381 | I | 67.6 | Low | 66.3 | Low | 102 Ų | 102 | 71.7 Ų | 71.7 | 52% | 0.523 | 38% | 0.375 | S | S | . | . | trans | -74.6 | 109.9 | 173 | -56.4 | 171.8 | 0 | 0 | 0 | 107.2 | L365 N383 | L365-I381 HydrophobicContact CD2-CG2 4.27Å; I381-N383 WeakPolarHBondContact CG2-O 3.33Å | ||
| 382 | V | 57.3 | Low | 63.9 | Low | 70 Ų | 70 | 74 Ų | 74 | 42% | 0.424 | 39% | 0.387 | S | S | . | . | trans | -93.3 | -17.7 | -176.4 | -70.4 | 0 | 0 | 0 | 0 | 113.5 | T363 P380 | T363-V382 HydrophobicContact CG2-CG1 3.91Å; P380-V382 PolarHBondContact O-N 2.92Å | ||
| 383 | N | 48.9 | Very low | 61.6 | Low | 80 Ų | 80 | 77.8 Ų | 77.8 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -135.8 | 134.4 | -178.5 | -64.7 | -25.9 | 0 | 0 | 0 | 109.5 | I381 | I381-N383 WeakPolarHBondContact CG2-O 3.33Š|
| 384 | S | 49.7 | Very low | 59.3 | Low | 17 Ų | 17 | 77.4 Ų | 77.4 | 12% | 0.119 | 40% | 0.398 | C | S | . | . | trans | -73.8 | 147.4 | 166.1 | 70.4 | 0 | 0 | 0 | 0 | 108.5 | L365 G386 | L365-S384 VanDerWaalsContact CD2-CA 3.42Å; S384-G386 PolarHBondContact O-N 3.05Å; S384-G386 VanDerWaalsContact O-N 3.12Å; S384-G386 WeakPolarHBondContact OG-CA 3.33Å; S384-G386 PolarHBondContact OG-N 2.89Å | ||
| 385 | N | 44.9 | Very low | 56.8 | Low | 175 Ų | 175 | 83.6 Ų | 83.6 | 94% | 0.936 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -76.8 | 31.1 | 155.9 | -72.3 | -18.5 | 0 | 0 | 0 | 110.6 | ||
| 386 | G | 40.5 | Very low | 54.3 | Low | 22 Ų | 22 | 88 Ų | 88 | 23% | 0.227 | 44% | 0.442 | C | S | . | . | trans | 74.2 | 164.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N353 S384 | N353-G386 WeakPolarHBondContact ND2-CA 3.46Å; S384-G386 PolarHBondContact O-N 3.05Å; S384-G386 VanDerWaalsContact O-N 3.12Å; S384-G386 WeakPolarHBondContact OG-CA 3.33Å; S384-G386 PolarHBondContact OG-N 2.89Å | ||
| 387 | L | 45.2 | Very low | 52.2 | Low | 76 Ų | 76 | 84.2 Ų | 84.2 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -40.4 | 149.1 | 155 | -94 | 103.2 | 0 | 0 | 0 | 111.6 | N353 D389 F390 | N353-L387 PolarHBondContact ND2-N 3.32Å; N353-L387 WeakPolarHBondContact OD1-CD1 3.5Å; N353-L387 PolarHBondContact OD1-N 2.84Å; L387-D389 PolarHBondContact O-N 3.38Å; L387-F390 HydrophobicContact CB-CE2 4.49Å; L387-F390 HydrophobicContact CD2-CE2 3.77Å |
| 388 | P | 50.1 | Low | 50.2 | Low | 48 Ų | 48 | 80.4 Ų | 80.4 | 31% | 0.312 | 41% | 0.408 | S | S | . | . | trans | -50.2 | 135.2 | 178.8 | 21.8 | -33.2 | 0 | 0 | 0 | 110.2 | T234 F390 | T234-P388 HydrophobicContact CG2-CG 4.24Å; P388-F390 HydrophobicContact CG-CE1 4.15Å; P388-F390 HydrophobicContact CG-CE2 3.94Å; P388-F390 HydrophobicContact CG-CZ 3.67Å; P388-F390 WeakPolarHBondContact O-CD2 3.19Å; P388-F390 WeakPolarHBondContact O-CG 3.07Å; P388-F390 PolarHBondContact O-N 3.44Å | ||
| 389 | D | 47.3 | Very low | 47.8 | Very low | 93 Ų | 93 | 82.9 Ų | 82.9 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | trans | -64 | 80.1 | -174.8 | -169.1 | 9.8 | 0 | 0 | 0 | 111 | L387 I391 N392 | L387-D389 PolarHBondContact O-N 3.38Å; D389-I391 PolarHBondContact O-N 3.02Å; D389-I391 VanDerWaalsContact O-N 3.11Å; D389-I391 VanDerWaalsContact OD1-CB 3.28Å; D389-I391 WeakPolarHBondContact OD1-CB 3.39Å; D389-I391 WeakPolarHBondContact OD1-CG1 3.16Å; D389-N392 PolarHBondContact O-N 2.85Å; D389-N392 VanDerWaalsContact O-N 3.08Å; D389-N392 PolarHBondContact OD2-ND2 3.04Å | ||
| 390 | F | 48.6 | Very low | 45.9 | Very low | 28 Ų | 28 | 78.7 Ų | 78.7 | 12% | 0.123 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.8 | -13.6 | 179.3 | -66.4 | -67 | 0 | 0 | 0 | 112.1 | P238 I303 L387 P388 N392 F393 | P238-F390 HydrophobicContact CB-CD1 3.66Å; P238-F390 HydrophobicContact CB-CD2 4.45Å; P238-F390 HydrophobicContact CB-CE1 3.81Å; P238-F390 HydrophobicContact CB-CG 4Å; P238-F390 HydrophobicContact CB-CZ 4.27Å; P238-F390 HydrophobicContact CG-CD1 3.96Å; P238-F390 HydrophobicContact CG-CE1 4.34Å; I303-F390 HydrophobicContact CD1-CB 4.07Å; L387-F390 HydrophobicContact CB-CE2 4.49Å; L387-F390 HydrophobicContact CD2-CE2 3.77Å; P388-F390 HydrophobicContact CG-CE1 4.15Å; P388-F390 HydrophobicContact CG-CE2 3.94Å; P388-F390 HydrophobicContact CG-CZ 3.67Å; P388-F390 WeakPolarHBondContact O-CD2 3.19Å; P388-F390 WeakPolarHBondContact O-CG 3.07Å; P388-F390 PolarHBondContact O-N 3.44Å; F390-N392 PolarHBondContact O-N 2.99Å; F390-F393 HydrophobicContact CD1-CD2 4.26Å; F390-F393 WeakPolarHBondContact O-CB 3.26Å; F390-F393 PolarHBondContact O-N 2.89Å; F390-F393 VanDerWaalsContact O-N 3.13Å |
| 391 | I | 42.8 | Very low | 44.2 | Very low | 65 Ų | 65 | 81.2 Ų | 81.2 | 33% | 0.333 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.7 | -31.6 | 173.4 | -52.9 | 176.9 | 0 | 0 | 0 | 110.2 | D389 R395 | D389-I391 PolarHBondContact O-N 3.02Å; D389-I391 VanDerWaalsContact O-N 3.11Å; D389-I391 VanDerWaalsContact OD1-CB 3.28Å; D389-I391 WeakPolarHBondContact OD1-CB 3.39Å; D389-I391 WeakPolarHBondContact OD1-CG1 3.16Å; I391-R395 PolarHBondContact O-N 2.88Å |
| 392 | N | 39.5 | Very low | 42.3 | Very low | 66 Ų | 66 | 81.2 Ų | 81.2 | 35% | 0.353 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.9 | -30.7 | 175.3 | -73.2 | -42.1 | 0 | 0 | 0 | 113.2 | D389 F390 K394 R395 I396 | D389-N392 PolarHBondContact O-N 2.85Å; D389-N392 VanDerWaalsContact O-N 3.08Å; D389-N392 PolarHBondContact OD2-ND2 3.04Å; F390-N392 PolarHBondContact O-N 2.99Å; N392-K394 VanDerWaalsContact C-N 3.34Å; N392-K394 PolarHBondContact O-N 2.84Å; N392-R395 PolarHBondContact O-N 2.8Å; N392-I396 WeakPolarHBondContact O-CG1 3.34Å; N392-I396 PolarHBondContact O-N 2.79Å |
| 393 | F | 43.4 | Very low | 41 | Very low | 100 Ų | 100 | 83.1 Ų | 83.1 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 176.8 | -93.2 | -81.5 | 0 | 0 | 0 | 112.3 | F390 R395 | F390-F393 HydrophobicContact CD1-CD2 4.26Å; F390-F393 WeakPolarHBondContact O-CB 3.26Å; F390-F393 PolarHBondContact O-N 2.89Å; F390-F393 VanDerWaalsContact O-N 3.13Å; F393-R395 VanDerWaalsContact C-N 3.34Å |
| 394 | K | 41.9 | Very low | 40.1 | Very low | 51 Ų | 51 | 88.9 Ų | 88.9 | 22% | 0.222 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.3 | -34.8 | 175.4 | -171.6 | 171.5 | 175.8 | 172.4 | 0 | 112.2 | D274 C276 Q277 G279 N392 I396 N397 L398 | D274-K394 IonicContact OD1-NZ 3.8Å; D274-K394 IonicContact OD2-NZ 3.73Å; C276-K394 PolarHBondContact O-NZ 3.5Å; Q277-K394 PolarHBondContact O-NZ 2.82Å; G279-K394 WeakPolarHBondContact O-CE 3.49Å; G279-K394 PolarHBondContact O-NZ 2.78Å; N392-K394 VanDerWaalsContact C-N 3.34Å; N392-K394 PolarHBondContact O-N 2.84Å; K394-I396 PolarHBondContact O-N 3.12Å; K394-N397 PolarHBondContact O-N 3.02Å; K394-L398 PolarHBondContact O-N 3.14Å |
| 395 | R | 39.3 | Very low | 39.1 | Very low | 163 Ų | 163 | 94.9 Ų | 94.9 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.6 | -27.9 | -177.7 | -141.1 | -176.1 | -67.9 | 163.2 | 1.3 | 113.4 | I391 N392 F393 | I391-R395 PolarHBondContact O-N 2.88Å; N392-R395 PolarHBondContact O-N 2.8Å; F393-R395 VanDerWaalsContact C-N 3.34Å |
| 396 | I | 39.2 | Very low | 38.4 | Very low | 105 Ų | 105 | 93.4 Ų | 93.4 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.1 | -35.4 | 177.5 | -63.9 | 164.6 | 0 | 0 | 0 | 111.6 | N392 K394 S399 | N392-I396 WeakPolarHBondContact O-CG1 3.34Å; N392-I396 PolarHBondContact O-N 2.79Å; K394-I396 PolarHBondContact O-N 3.12Å; I396-S399 PolarHBondContact O-OG 2.79Å |
| 397 | N | 37 | Very low | 37.8 | Very low | 58 Ų | 58 | 99.9 Ų | 99.9 | 31% | 0.31 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -79.8 | -18.4 | 179.7 | -81.7 | -15.5 | 0 | 0 | 0 | 114.1 | K394 T400 | K394-N397 PolarHBondContact O-N 3.02Å; N397-T400 WeakPolarHBondContact CA-OG1 3.41Å; N397-T400 PolarHBondContact O-OG1 2.78Å; N397-T400 VanDerWaalsContact O-OG1 3.08Å |
| 398 | L | 39.1 | Very low | 37.1 | Very low | 106 Ų | 106 | 103.6 Ų | 103.6 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77.4 | -25.5 | 175.7 | -145 | 79 | 0 | 0 | 0 | 112.4 | K394 | K394-L398 PolarHBondContact O-N 3.14Å |
| 399 | S | 34.7 | Very low | 36.1 | Very low | 90 Ų | 90 | 108.6 Ų | 108.6 | 63% | 0.629 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -86.9 | -11.1 | 177.9 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | I396 | I396-S399 PolarHBondContact O-OG 2.79Š|
| 400 | T | 36 | Very low | 35.3 | Very low | 98 Ų | 98 | 112 Ų | 112 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -91.4 | -1.9 | 177.9 | 47.7 | 0 | 0 | 0 | 0 | 114.5 | N397 | N397-T400 WeakPolarHBondContact CA-OG1 3.41Å; N397-T400 PolarHBondContact O-OG1 2.78Å; N397-T400 VanDerWaalsContact O-OG1 3.08Å |
| 401 | V | 35.9 | Very low | 34.2 | Very low | 92 Ų | 92 | 117 Ų | 117 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | trans | -105.7 | 62.7 | 173.8 | -168.5 | 0 | 0 | 0 | 0 | 109.9 | P271 | P271-V401 HydrophobicContact CG-CB 4.38Å; P271-V401 HydrophobicContact CG-CG1 4.17Å | ||
| 402 | S | 28 | Very low | 33.5 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -124.2 | 103.2 | 159 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | ||
| 403 | S | 28.6 | Very low | 32.8 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | trans | 43.3 | 104.6 | 159.8 | 171 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 404 | K | 31.5 | Very low | 32.2 | Very low | 201 Ų | 201 | 125.2 Ų | 125.2 | 87% | 0.874 | 67% | 0.67 | S | S | * | * | trans | -135.4 | 99.6 | 145.2 | -118.7 | -177.8 | 179.9 | -171.8 | 0 | 111.1 | ||||
| 405 | N | 27.7 | Very low | 31.7 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | -75.1 | 146.4 | 153.3 | -92.9 | -19.2 | 0 | 0 | 0 | 109 | ||||
| 406 | N | 29.7 | Very low | 31.4 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 85.7 | 116.9 | 166.2 | -60.2 | -16.8 | 0 | 0 | 0 | 117.7 | D408 | N406-D408 PolarHBondContact O-N 3Š|
| 407 | N | 29.6 | Very low | 31.6 | Very low | 157 Ų | 157 | 129 Ų | 129 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | 1.9 | 103.9 | 152.8 | -64.6 | -10.1 | 0 | 0 | 0 | 115.2 | ||||
| 408 | D | 30.5 | Very low | 32 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 70% | 0.703 | S | S | * | * | trans | -158 | 135.7 | 144.4 | -83.7 | -37.6 | 0 | 0 | 0 | 107.2 | N406 L410 | N406-D408 PolarHBondContact O-N 3Å; D408-L410 PolarHBondContact O-N 2.02Å | ||
| 409 | D | 27.8 | Very low | 32.9 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -49.1 | 127.8 | -179.9 | -72.4 | -46.5 | 0 | 0 | 0 | 111.6 | I411 | D409-I411 PolarHBondContact O-N 2.62Š| ||
| 410 | L | 30.6 | Very low | 34 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -72.1 | 81.4 | 173.7 | -163.7 | 84.1 | 0 | 0 | 0 | 108.7 | D408 V412 | D408-L410 PolarHBondContact O-N 2.02Å; L410-V412 PolarHBondContact O-N 3.42Å; L410-V412 VanDerWaalsContact O-N 3.14Å | ||
| 411 | I | 25.6 | Very low | 35.8 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 106.3 | 161.6 | -60.2 | 175.1 | 0 | 0 | 0 | 105.9 | D409 I413 | D409-I411 PolarHBondContact O-N 2.62Å; I411-I413 HydrophobicContact CG2-CG1 3.88Å; I411-I413 PolarHBondContact O-N 2.86Å | ||
| 412 | V | 28 | Very low | 37.5 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -60.9 | 92.8 | 159.2 | 177.7 | 0 | 0 | 0 | 0 | 105.8 | L410 E414 | L410-V412 PolarHBondContact O-N 3.42Å; L410-V412 VanDerWaalsContact O-N 3.14Å; V412-E414 PolarHBondContact O-N 3.44Å | ||
| 413 | I | 25.9 | Very low | 39.7 | Very low | 137 Ų | 137 | 134 Ų | 134 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | trans | -71.7 | 84.1 | 161.3 | -56.7 | 176.4 | 0 | 0 | 0 | 104.2 | I411 K415 | I411-I413 HydrophobicContact CG2-CG1 3.88Å; I411-I413 PolarHBondContact O-N 2.86Å; I413-K415 PolarHBondContact O-N 2.87Å | ||
| 414 | E | 30.2 | Very low | 42.1 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | trans | -38.8 | 124 | 144.5 | -152.3 | 175.6 | -153.5 | 0 | 0 | 104.9 | V412 T416 | V412-E414 PolarHBondContact O-N 3.44Å; E414-T416 PolarHBondContact O-N 2.97Å | ||
| 415 | K | 30.5 | Very low | 44.6 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | trans | -59.3 | 81.5 | 161.9 | -99.6 | -176.4 | 175.7 | 178.3 | 0 | 105.1 | I413 N417 | I413-K415 PolarHBondContact O-N 2.87Å; K415-N417 PolarHBondContact O-N 2.84Å | ||
| 416 | T | 33.3 | Very low | 47.1 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 48% | 0.479 | 64% | 0.644 | S | S | . | * | trans | -57.4 | 95 | 149.3 | 45.2 | 0 | 0 | 0 | 0 | 101.7 | E414 N418 | E414-T416 PolarHBondContact O-N 2.97Å; T416-N418 VanDerWaalsContact C-N 3.3Å; T416-N418 PolarHBondContact O-N 2.86Å | ||
| 417 | N | 42.7 | Very low | 50 | Low | 131 Ų | 131 | 121.3 Ų | 121.3 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | trans | -44.4 | 113.4 | 156.5 | -85.9 | -19.6 | 0 | 0 | 0 | 103.6 | K415 S419 | K415-N417 PolarHBondContact O-N 2.84Å; N417-S419 PolarHBondContact O-N 2.79Å | ||
| 418 | N | 45.8 | Very low | 52.9 | Low | 69 Ų | 69 | 120.5 Ų | 120.5 | 37% | 0.369 | 62% | 0.617 | S | S | . | * | trans | -65.5 | 69.9 | 178.8 | -82.4 | -32.5 | 0 | 0 | 0 | 107.5 | T416 W420 I421 Y422 | T416-N418 VanDerWaalsContact C-N 3.3Å; T416-N418 PolarHBondContact O-N 2.86Å; N418-W420 PolarHBondContact O-N 2.86Å; N418-I421 HydrophobicContact CB-CB 3.99Å; N418-I421 HydrophobicContact CB-CD1 3.59Å; N418-I421 HydrophobicContact CB-CG1 3.78Å; N418-I421 WeakPolarHBondContact O-CB 3.34Å; N418-I421 PolarHBondContact O-N 2.94Å; N418-Y422 WeakPolarHBondContact O-CD2 3.26Å; N418-Y422 PolarHBondContact O-N 2.81Å | ||
| 419 | S | 57.6 | Low | 55.7 | Low | 76 Ų | 76 | 117.5 Ų | 117.5 | 53% | 0.531 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -26.6 | -179.3 | -146.6 | 0 | 0 | 0 | 0 | 109.1 | N417 Y422 V423 | N417-S419 PolarHBondContact O-N 2.79Å; S419-Y422 PolarHBondContact O-N 2.99Å; S419-V423 VanDerWaalsContact O-CG2 3.29Å; S419-V423 WeakPolarHBondContact O-CG2 3.27Å; S419-V423 PolarHBondContact O-N 2.81Å |
| 420 | W | 59.6 | Low | 58.7 | Low | 171 Ų | 171 | 114 Ų | 114 | 65% | 0.648 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.5 | -28.8 | 174.4 | 15.6 | -53 | 0 | 0 | 0 | 112 | N418 V423 L424 | N418-W420 PolarHBondContact O-N 2.86Å; W420-V423 PolarHBondContact O-N 3.24Å; W420-L424 VanDerWaalsContact O-CB 3.25Å; W420-L424 WeakPolarHBondContact O-CB 3.47Å; W420-L424 WeakPolarHBondContact O-CD1 3.33Å; W420-L424 WeakPolarHBondContact O-CG 3.34Å; W420-L424 PolarHBondContact O-N 2.81Å |
| 421 | I | 72.4 | Confident | 61.6 | Low | 80 Ų | 80 | 111 Ų | 111 | 41% | 0.41 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -41.8 | 170.2 | -70 | 176.6 | 0 | 0 | 0 | 109.9 | N418 L424 I425 | N418-I421 HydrophobicContact CB-CB 3.99Å; N418-I421 HydrophobicContact CB-CD1 3.59Å; N418-I421 HydrophobicContact CB-CG1 3.78Å; N418-I421 WeakPolarHBondContact O-CB 3.34Å; N418-I421 PolarHBondContact O-N 2.94Å; I421-L424 PolarHBondContact O-N 2.81Å; I421-I425 HydrophobicContact CG2-CD1 3.57Å; I421-I425 HydrophobicContact CG2-CG1 4.2Å; I421-I425 WeakPolarHBondContact O-CB 3.33Å; I421-I425 WeakPolarHBondContact O-CG1 3.39Å; I421-I425 PolarHBondContact O-N 2.79Å |
| 422 | Y | 71.3 | Confident | 64.7 | Low | 171 Ų | 171 | 107.2 Ų | 107.2 | 67% | 0.671 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.4 | -39.4 | 175.4 | -70.5 | -78 | 0 | 0 | 0 | 112.4 | N418 S419 I425 S426 | N418-Y422 WeakPolarHBondContact O-CD2 3.26Å; N418-Y422 PolarHBondContact O-N 2.81Å; S419-Y422 PolarHBondContact O-N 2.99Å; Y422-I425 PolarHBondContact O-N 3.26Å; Y422-S426 WeakPolarHBondContact O-CB 3.39Å; Y422-S426 PolarHBondContact O-N 2.83Å; Y422-S426 PolarHBondContact O-OG 2.99Å |
| 423 | V | 74.9 | Confident | 67.7 | Low | 84 Ų | 84 | 107.2 Ų | 107.2 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 172.5 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | S419 W420 I425 S426 V427 | S419-V423 VanDerWaalsContact O-CG2 3.29Å; S419-V423 WeakPolarHBondContact O-CG2 3.27Å; S419-V423 PolarHBondContact O-N 2.81Å; W420-V423 PolarHBondContact O-N 3.24Å; V423-I425 PolarHBondContact O-N 2.75Å; V423-S426 PolarHBondContact O-N 2.86Å; V423-S426 PolarHBondContact O-OG 2.94Å; V423-V427 HydrophobicContact CG1-CG2 4.41Å; V423-V427 WeakPolarHBondContact O-CB 3.36Å; V423-V427 VanDerWaalsContact O-CG2 3.29Å; V423-V427 WeakPolarHBondContact O-CG2 3.39Å; V423-V427 PolarHBondContact O-N 3.01Å |
| 424 | L | 79.7 | Confident | 70.9 | Confident | 117 Ų | 117 | 105 Ų | 105 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -39.1 | 177.1 | -73.4 | 169.6 | 0 | 0 | 0 | 112.6 | W420 I421 F428 | W420-L424 VanDerWaalsContact O-CB 3.25Å; W420-L424 WeakPolarHBondContact O-CB 3.47Å; W420-L424 WeakPolarHBondContact O-CD1 3.33Å; W420-L424 WeakPolarHBondContact O-CG 3.34Å; W420-L424 PolarHBondContact O-N 2.81Å; I421-L424 PolarHBondContact O-N 2.81Å; L424-F428 WeakPolarHBondContact O-CB 3.27Å; L424-F428 PolarHBondContact O-N 2.83Å |
| 425 | I | 82.7 | Confident | 73.7 | Confident | 85 Ų | 85 | 100.7 Ų | 100.7 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 173.8 | -70.2 | 167.4 | 0 | 0 | 0 | 109.9 | I421 Y422 V423 F428 I429 | I421-I425 HydrophobicContact CG2-CD1 3.57Å; I421-I425 HydrophobicContact CG2-CG1 4.2Å; I421-I425 WeakPolarHBondContact O-CB 3.33Å; I421-I425 WeakPolarHBondContact O-CG1 3.39Å; I421-I425 PolarHBondContact O-N 2.79Å; Y422-I425 PolarHBondContact O-N 3.26Å; V423-I425 PolarHBondContact O-N 2.75Å; I425-F428 PolarHBondContact O-N 2.82Å; I425-I429 HydrophobicContact CG2-CD1 3.73Å; I425-I429 HydrophobicContact CG2-CG1 4.35Å; I425-I429 WeakPolarHBondContact O-CB 2.86Å; I425-I429 VanDerWaalsContact O-CG1 3.23Å; I425-I429 WeakPolarHBondContact O-CG1 3.34Å; I425-I429 PolarHBondContact O-N 2.88Å |
| 426 | S | 81.4 | Confident | 76.5 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 178 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | Y422 V423 I429 V430 | Y422-S426 WeakPolarHBondContact O-CB 3.39Å; Y422-S426 PolarHBondContact O-N 2.83Å; Y422-S426 PolarHBondContact O-OG 2.99Å; V423-S426 PolarHBondContact O-N 2.86Å; V423-S426 PolarHBondContact O-OG 2.94Å; S426-I429 PolarHBondContact O-N 3.19Å; S426-V430 VanDerWaalsContact O-CG2 3.31Å; S426-V430 WeakPolarHBondContact O-CG2 3.44Å; S426-V430 PolarHBondContact O-N 2.91Å |
| 427 | V | 89.8 | Confident | 79.1 | Confident | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V423 V430 L431 | V423-V427 HydrophobicContact CG1-CG2 4.41Å; V423-V427 WeakPolarHBondContact O-CB 3.36Å; V423-V427 VanDerWaalsContact O-CG2 3.29Å; V423-V427 WeakPolarHBondContact O-CG2 3.39Å; V423-V427 PolarHBondContact O-N 3.01Å; V427-V430 PolarHBondContact O-N 2.92Å; V427-L431 HydrophobicContact CG1-CD1 3.9Å; V427-L431 HydrophobicContact CG1-CG 4.35Å; V427-L431 WeakPolarHBondContact O-CB 3.35Å; V427-L431 VanDerWaalsContact O-CG 3.27Å; V427-L431 WeakPolarHBondContact O-CG 3.41Å; V427-L431 PolarHBondContact O-N 3.43Å |
| 428 | F | 89.7 | Confident | 81.3 | Confident | 140 Ų | 140 | 91.3 Ų | 91.3 | 61% | 0.614 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.1 | -38.8 | 177 | -168.5 | -97 | 0 | 0 | 0 | 112.4 | L424 I425 L431 C432 | L424-F428 WeakPolarHBondContact O-CB 3.27Å; L424-F428 PolarHBondContact O-N 2.83Å; I425-F428 PolarHBondContact O-N 2.82Å; F428-L431 PolarHBondContact O-N 3.41Å; F428-C432 WeakPolarHBondContact CE1-SG 3.12Å; F428-C432 VanDerWaalsContact O-CB 3.27Å; F428-C432 WeakPolarHBondContact O-CB 3.5Å; F428-C432 PolarHBondContact O-N 2.94Å; F428-C432 PolarHBondContact O-SG 3.05Å |
| 429 | I | 90.4 | Very high | 83.2 | Confident | 91 Ų | 91 | 92.7 Ų | 92.7 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 173.9 | -70 | 166.5 | 0 | 0 | 0 | 110 | I425 S426 L431 C432 L433 | I425-I429 HydrophobicContact CG2-CD1 3.73Å; I425-I429 HydrophobicContact CG2-CG1 4.35Å; I425-I429 WeakPolarHBondContact O-CB 2.86Å; I425-I429 VanDerWaalsContact O-CG1 3.23Å; I425-I429 WeakPolarHBondContact O-CG1 3.34Å; I425-I429 PolarHBondContact O-N 2.88Å; S426-I429 PolarHBondContact O-N 3.19Å; I429-L431 PolarHBondContact O-N 3.23Å; I429-C432 WeakPolarHBondContact O-CB 3.23Å; I429-C432 PolarHBondContact O-N 2.91Å; I429-L433 HydrophobicContact CG2-CD1 4.11Å; I429-L433 HydrophobicContact CG2-CG 4.46Å; I429-L433 VanDerWaalsContact O-CG 3.32Å; I429-L433 WeakPolarHBondContact O-CG 3.47Å; I429-L433 PolarHBondContact O-N 2.9Å |
| 430 | V | 89.9 | Confident | 84.4 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | S426 V427 L433 I434 | S426-V430 VanDerWaalsContact O-CG2 3.31Å; S426-V430 WeakPolarHBondContact O-CG2 3.44Å; S426-V430 PolarHBondContact O-N 2.91Å; V427-V430 PolarHBondContact O-N 2.92Å; V430-L433 PolarHBondContact O-N 2.96Å; V430-I434 HydrophobicContact CG1-CD1 3.81Å; V430-I434 HydrophobicContact CG1-CG1 4.46Å; V430-I434 VanDerWaalsContact O-CG1 3.27Å; V430-I434 WeakPolarHBondContact O-CG1 3.02Å; V430-I434 PolarHBondContact O-N 3.44Å |
| 431 | L | 91.5 | Very high | 85.5 | Confident | 101 Ų | 101 | 92.2 Ų | 92.2 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 175.2 | -70.5 | 172.5 | 0 | 0 | 0 | 112.4 | V427 F428 I429 I434 S435 | V427-L431 HydrophobicContact CG1-CD1 3.9Å; V427-L431 HydrophobicContact CG1-CG 4.35Å; V427-L431 WeakPolarHBondContact O-CB 3.35Å; V427-L431 VanDerWaalsContact O-CG 3.27Å; V427-L431 WeakPolarHBondContact O-CG 3.41Å; V427-L431 PolarHBondContact O-N 3.43Å; F428-L431 PolarHBondContact O-N 3.41Å; I429-L431 PolarHBondContact O-N 3.23Å; L431-I434 PolarHBondContact O-N 2.69Å; L431-S435 WeakPolarHBondContact O-CB 3.34Å; L431-S435 PolarHBondContact O-N 2.94Å; L431-S435 PolarHBondContact O-OG 2.87Å |
| 432 | C | 91 | Very high | 85.9 | Confident | 54 Ų | 54 | 91.1 Ų | 91.1 | 37% | 0.365 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 171.9 | -78 | 0 | 0 | 0 | 0 | 111.5 | F428 I429 S435 C436 | F428-C432 WeakPolarHBondContact CE1-SG 3.12Å; F428-C432 VanDerWaalsContact O-CB 3.27Å; F428-C432 WeakPolarHBondContact O-CB 3.5Å; F428-C432 PolarHBondContact O-N 2.94Å; F428-C432 PolarHBondContact O-SG 3.05Å; I429-C432 WeakPolarHBondContact O-CB 3.23Å; I429-C432 PolarHBondContact O-N 2.91Å; C432-S435 WeakPolarHBondContact CA-OG 3.44Å; C432-S435 PolarHBondContact O-OG 3.14Å; C432-C436 WeakPolarHBondContact O-CB 3.41Å; C432-C436 PolarHBondContact O-N 3.13Å |
| 433 | L | 91.5 | Very high | 86.2 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 63% | 0.628 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.2 | -41.2 | 177.3 | -69.5 | 174 | 0 | 0 | 0 | 112.1 | I429 V430 C436 G437 | I429-L433 HydrophobicContact CG2-CD1 4.11Å; I429-L433 HydrophobicContact CG2-CG 4.46Å; I429-L433 VanDerWaalsContact O-CG 3.32Å; I429-L433 WeakPolarHBondContact O-CG 3.47Å; I429-L433 PolarHBondContact O-N 2.9Å; V430-L433 PolarHBondContact O-N 2.96Å; L433-C436 PolarHBondContact O-N 2.86Å; L433-G437 PolarHBondContact O-N 2.73Å |
| 434 | I | 92.1 | Very high | 85.8 | Confident | 92 Ų | 92 | 87.4 Ų | 87.4 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.3 | -67.6 | 166.4 | 0 | 0 | 0 | 110.4 | V430 L431 G437 I438 | V430-I434 HydrophobicContact CG1-CD1 3.81Å; V430-I434 HydrophobicContact CG1-CG1 4.46Å; V430-I434 VanDerWaalsContact O-CG1 3.27Å; V430-I434 WeakPolarHBondContact O-CG1 3.02Å; V430-I434 PolarHBondContact O-N 3.44Å; L431-I434 PolarHBondContact O-N 2.69Å; I434-G437 PolarHBondContact O-N 2.94Å; I434-I438 HydrophobicContact CG2-CD1 3.78Å; I434-I438 HydrophobicContact CG2-CG1 4.43Å; I434-I438 VanDerWaalsContact O-CG1 3.28Å; I434-I438 WeakPolarHBondContact O-CG1 3.32Å; I434-I438 PolarHBondContact O-N 3.33Å |
| 435 | S | 90.8 | Very high | 85.3 | Confident | 55 Ų | 55 | 89.5 Ų | 89.5 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 177.3 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | L431 C432 I438 I439 | L431-S435 WeakPolarHBondContact O-CB 3.34Å; L431-S435 PolarHBondContact O-N 2.94Å; L431-S435 PolarHBondContact O-OG 2.87Å; C432-S435 WeakPolarHBondContact CA-OG 3.44Å; C432-S435 PolarHBondContact O-OG 3.14Å; S435-I438 PolarHBondContact O-N 2.85Å; S435-I439 WeakPolarHBondContact O-CB 3.44Å; S435-I439 WeakPolarHBondContact O-CG1 3.46Å; S435-I439 PolarHBondContact O-N 2.89Å |
| 436 | C | 88.3 | Confident | 84.2 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 46% | 0.459 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 174.1 | -153.4 | 0 | 0 | 0 | 0 | 111 | C432 L433 I439 I440 | C432-C436 WeakPolarHBondContact O-CB 3.41Å; C432-C436 PolarHBondContact O-N 3.13Å; L433-C436 PolarHBondContact O-N 2.86Å; C436-I439 PolarHBondContact O-N 2.86Å; C436-I440 WeakPolarHBondContact O-CB 3.27Å; C436-I440 VanDerWaalsContact O-CG1 3.24Å; C436-I440 WeakPolarHBondContact O-CG1 3.02Å; C436-I440 PolarHBondContact O-N 2.83Å |
| 437 | G | 87.7 | Confident | 82.9 | Confident | 39 Ų | 39 | 98.4 Ų | 98.4 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L433 I434 Y441 | L433-G437 PolarHBondContact O-N 2.73Å; I434-G437 PolarHBondContact O-N 2.94Å; G437-Y441 WeakPolarHBondContact O-CB 3.34Å; G437-Y441 PolarHBondContact O-N 2.73Å |
| 438 | I | 89.5 | Confident | 81 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 175.4 | -67.3 | 166.2 | 0 | 0 | 0 | 110.8 | I434 S435 Y441 C442 | I434-I438 HydrophobicContact CG2-CD1 3.78Å; I434-I438 HydrophobicContact CG2-CG1 4.43Å; I434-I438 VanDerWaalsContact O-CG1 3.28Å; I434-I438 WeakPolarHBondContact O-CG1 3.32Å; I434-I438 PolarHBondContact O-N 3.33Å; S435-I438 PolarHBondContact O-N 2.85Å; I438-Y441 CarbonylContact O-C 3.54Å; I438-Y441 PolarHBondContact O-N 2.94Å; I438-C442 VanDerWaalsContact O-CB 3.23Å; I438-C442 WeakPolarHBondContact O-CB 3.15Å; I438-C442 PolarHBondContact O-N 2.89Å; I438-C442 PolarHBondContact O-SG 3.44Å |
| 439 | I | 85.7 | Confident | 78.8 | Confident | 97 Ų | 97 | 107.5 Ų | 107.5 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 176.8 | -70.7 | 165.3 | 0 | 0 | 0 | 110.2 | S435 C436 Y441 C442 I443 | S435-I439 WeakPolarHBondContact O-CB 3.44Å; S435-I439 WeakPolarHBondContact O-CG1 3.46Å; S435-I439 PolarHBondContact O-N 2.89Å; C436-I439 PolarHBondContact O-N 2.86Å; I439-Y441 VanDerWaalsContact C-N 3.33Å; I439-Y441 PolarHBondContact O-N 3.46Å; I439-C442 CarbonylContact O-C 3.59Å; I439-C442 PolarHBondContact O-N 2.89Å; I439-C442 VanDerWaalsContact O-N 3.16Å; I439-I443 HydrophobicContact CG2-CD1 3.55Å; I439-I443 HydrophobicContact CG2-CG1 4.19Å; I439-I443 WeakPolarHBondContact O-CB 3.42Å; I439-I443 WeakPolarHBondContact O-CG1 3.12Å; I439-I443 PolarHBondContact O-N 3.14Å |
| 440 | I | 83.2 | Confident | 76.5 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 52% | 0.518 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.1 | -45.1 | 174.8 | -68.3 | 165.4 | 0 | 0 | 0 | 110.1 | C436 C442 I443 C444 | C436-I440 WeakPolarHBondContact O-CB 3.27Å; C436-I440 VanDerWaalsContact O-CG1 3.24Å; C436-I440 WeakPolarHBondContact O-CG1 3.02Å; C436-I440 PolarHBondContact O-N 2.83Å; I440-C442 VanDerWaalsContact C-N 3.34Å; I440-C442 PolarHBondContact O-N 3.15Å; I440-I443 PolarHBondContact O-N 2.82Å; I440-C444 VanDerWaalsContact O-CB 3.25Å; I440-C444 WeakPolarHBondContact O-CB 3.25Å; I440-C444 PolarHBondContact O-N 2.87Å; I440-C444 PolarHBondContact O-SG 2.65Å; I440-C444 VanDerWaalsContact O-SG 3.37Å |
| 441 | Y | 81.6 | Confident | 74.1 | Confident | 136 Ų | 136 | 111.6 Ų | 111.6 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.8 | -40.3 | 175.2 | 178.2 | -97.8 | 0 | 0 | 0 | 112.1 | G437 I438 I439 R445 | G437-Y441 WeakPolarHBondContact O-CB 3.34Å; G437-Y441 PolarHBondContact O-N 2.73Å; I438-Y441 CarbonylContact O-C 3.54Å; I438-Y441 PolarHBondContact O-N 2.94Å; I439-Y441 VanDerWaalsContact C-N 3.33Å; I439-Y441 PolarHBondContact O-N 3.46Å; Y441-R445 WeakPolarHBondContact O-CB 3.4Å; Y441-R445 PolarHBondContact O-N 3.47Å; Y441-R445 PolarHBondContact OH-NH1 2.88Å; Y441-R445 VanDerWaalsContact OH-NH1 3.16Å |
| 442 | C | 80.3 | Confident | 71.5 | Confident | 57 Ų | 57 | 109.6 Ų | 109.6 | 39% | 0.385 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.8 | -36.8 | 178.1 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | I438 I439 I440 R445 R446 | I438-C442 VanDerWaalsContact O-CB 3.23Å; I438-C442 WeakPolarHBondContact O-CB 3.15Å; I438-C442 PolarHBondContact O-N 2.89Å; I438-C442 PolarHBondContact O-SG 3.44Å; I439-C442 CarbonylContact O-C 3.59Å; I439-C442 PolarHBondContact O-N 2.89Å; I439-C442 VanDerWaalsContact O-N 3.16Å; I440-C442 VanDerWaalsContact C-N 3.34Å; I440-C442 PolarHBondContact O-N 3.15Å; C442-R445 PolarHBondContact O-N 2.02Å; C442-R446 VanDerWaalsContact O-CB 3.22Å; C442-R446 WeakPolarHBondContact O-CB 3.22Å; C442-R446 PolarHBondContact O-N 2.91Å |
| 443 | I | 77.7 | Confident | 69.1 | Low | 89 Ų | 89 | 116.4 Ų | 116.4 | 46% | 0.456 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.6 | -47.3 | 173.5 | -68.8 | 168.7 | 0 | 0 | 0 | 109 | I439 I440 R445 R446 Q447 | I439-I443 HydrophobicContact CG2-CD1 3.55Å; I439-I443 HydrophobicContact CG2-CG1 4.19Å; I439-I443 WeakPolarHBondContact O-CB 3.42Å; I439-I443 WeakPolarHBondContact O-CG1 3.12Å; I439-I443 PolarHBondContact O-N 3.14Å; I440-I443 PolarHBondContact O-N 2.82Å; I443-R445 VanDerWaalsContact C-N 3.27Å; I443-R445 PolarHBondContact O-N 3.24Å; I443-R446 PolarHBondContact O-N 2.8Å; I443-Q447 WeakPolarHBondContact O-CB 2.89Å; I443-Q447 PolarHBondContact O-N 2.85Å |
| 444 | C | 66.7 | Low | 66.2 | Low | 88 Ų | 88 | 121.4 Ų | 121.4 | 60% | 0.595 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.5 | -31.6 | 173.5 | -75.5 | 0 | 0 | 0 | 0 | 112.8 | I440 | I440-C444 VanDerWaalsContact O-CB 3.25Å; I440-C444 WeakPolarHBondContact O-CB 3.25Å; I440-C444 PolarHBondContact O-N 2.87Å; I440-C444 PolarHBondContact O-SG 2.65Å; I440-C444 VanDerWaalsContact O-SG 3.37Å |
| 445 | R | 69.3 | Low | 63.3 | Low | 161 Ų | 161 | 127.5 Ų | 127.5 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -83.6 | -29.7 | 178.5 | -169.5 | 172.7 | 176.8 | 174.4 | -4.9 | 113 | Y441 C442 I443 | Y441-R445 WeakPolarHBondContact O-CB 3.4Å; Y441-R445 PolarHBondContact O-N 3.47Å; Y441-R445 PolarHBondContact OH-NH1 2.88Å; Y441-R445 VanDerWaalsContact OH-NH1 3.16Å; C442-R445 PolarHBondContact O-N 2.02Å; I443-R445 VanDerWaalsContact C-N 3.27Å; I443-R445 PolarHBondContact O-N 3.24Å |
| 446 | R | 60.5 | Low | 60.7 | Low | 232 Ų | 232 | 131.8 Ų | 131.8 | 88% | 0.875 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -83.1 | -33.1 | 175.2 | -86.4 | -176.7 | 165.1 | 167.2 | -3.3 | 112.4 | C442 I443 K448 | C442-R446 VanDerWaalsContact O-CB 3.22Å; C442-R446 WeakPolarHBondContact O-CB 3.22Å; C442-R446 PolarHBondContact O-N 2.91Å; I443-R446 PolarHBondContact O-N 2.8Å; R446-K448 PolarHBondContact O-N 2.82Å |
| 447 | Q | 54.5 | Low | 57.9 | Low | 99 Ų | 99 | 132.3 Ų | 132.3 | 46% | 0.463 | 64% | 0.638 | S | S | . | * | trans | -80.6 | 60.3 | 166.4 | -77 | -175.2 | -30.5 | 0 | 0 | 110.9 | I443 R449 | I443-Q447 WeakPolarHBondContact O-CB 2.89Å; I443-Q447 PolarHBondContact O-N 2.85Å; Q447-R449 PolarHBondContact O-N 2.68Å | ||
| 448 | K | 48.9 | Very low | 55.1 | Low | 182 Ų | 182 | 140.6 Ų | 140.6 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -73.2 | 5.1 | 161.9 | -96.6 | -172.3 | 175.8 | -174.1 | 0 | 113.2 | R446 | R446-K448 PolarHBondContact O-N 2.82Š|
| 449 | R | 44.5 | Very low | 52.2 | Low | 221 Ų | 221 | 142.6 Ų | 142.6 | 83% | 0.834 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -147.7 | 123.5 | 167.6 | -66.1 | -174.9 | 179.3 | 169.6 | -1.4 | 107.4 | Q447 | Q447-R449 PolarHBondContact O-N 2.68Š|
| 450 | L | 41.9 | Very low | 49.6 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 86.8 | 63.8 | -176.1 | -62.6 | 141.8 | 0 | 0 | 0 | 117.1 | ||
| 451 | C | 39.5 | Very low | 47.1 | Very low | 106 Ų | 106 | 152 Ų | 152 | 72% | 0.716 | 70% | 0.699 | S | S | * | * | trans | -145.9 | 67.5 | 133.1 | -105.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 452 | G | 36.3 | Very low | 44.8 | Very low | 59 Ų | 59 | 151.1 Ų | 151.1 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -86.5 | 136.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 453 | F | 40.1 | Very low | 42.4 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 75.8 | 85.3 | -166.8 | -60.4 | -89.1 | 0 | 0 | 0 | 112.9 | ||
| 454 | Y | 32 | Very low | 40.1 | Very low | 224 Ų | 224 | 158.3 Ų | 158.3 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | cis | -119.9 | 102 | 41.4 | -85.7 | -104.9 | 0 | 0 | 0 | 112.3 | ||||
| 455 | R | 31 | Very low | 38.1 | Very low | 221 Ų | 221 | 159.2 Ų | 159.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -117.1 | 74.4 | 157.5 | -153.3 | -175.2 | -171.3 | -172.3 | 1.8 | 106.4 | S457 | R455-S457 WeakPolarHBondContact O-CB 3.17Š| ||
| 456 | M | 35 | Very low | 36.2 | Very low | 144 Ų | 144 | 161 Ų | 161 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | -82.3 | 91.7 | 142.4 | -71.8 | 177.9 | 81.5 | 0 | 0 | 103 | W458 | M456-W458 VanDerWaalsContact C-N 3.25Š| ||
| 457 | S | 29 | Very low | 34.6 | Very low | 80 Ų | 80 | 156.1 Ų | 156.1 | 56% | 0.559 | 76% | 0.758 | S | S | * | * | cis | 38 | 53.1 | 46.2 | -154.8 | 0 | 0 | 0 | 0 | 112.8 | R455 N459 | R455-S457 WeakPolarHBondContact O-CB 3.17Å; S457-N459 PolarHBondContact O-N 3.35Å | ||
| 458 | W | 30.1 | Very low | 33.2 | Very low | 212 Ų | 212 | 157.8 Ų | 157.8 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | trans | -58.8 | 96.2 | 137.7 | -80.8 | 82.7 | 0 | 0 | 0 | 107.7 | M456 R460 | M456-W458 VanDerWaalsContact C-N 3.25Å; W458-R460 VanDerWaalsContact C-N 3.32Å; W458-R460 PolarHBondContact O-N 2.87Å; W458-R460 VanDerWaalsContact O-N 3.15Å | ||
| 459 | N | 27.9 | Very low | 32.1 | Very low | 137 Ų | 137 | 160 Ų | 160 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -50.2 | 107.5 | 136.2 | -87.8 | -15 | 0 | 0 | 0 | 107.2 | S457 | S457-N459 PolarHBondContact O-N 3.35Š| ||
| 460 | R | 31.2 | Very low | 31.1 | Very low | 228 Ų | 228 | 153.9 Ų | 153.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | -151.4 | 94.5 | 123.5 | -94.5 | -171.5 | -170.9 | -173.5 | 2.5 | 107.5 | W458 | W458-R460 VanDerWaalsContact C-N 3.32Å; W458-R460 PolarHBondContact O-N 2.87Å; W458-R460 VanDerWaalsContact O-N 3.15Å | |||
| 461 | E | 31.3 | Very low | 30.6 | Very low | 169 Ų | 169 | 152.5 Ų | 152.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -39.3 | 166.6 | 136.7 | -95 | -169.9 | -171.2 | 0 | 0 | 112.2 | ||||
| 462 | P | 33.5 | Very low | 30.1 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -144.1 | 155.2 | 29.9 | 25.3 | 0.5 | 0 | 0 | 0 | 117.6 | ||||
| 463 | I | 30.2 | Very low | 30.1 | Very low | 150 Ų | 150 | 159.7 Ų | 159.7 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 149.8 | 153 | -47.7 | 176.7 | 0 | 0 | 0 | 107.2 | ||||
| 464 | I | 27.7 | Very low | 29.7 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 104.6 | 114.8 | 151.8 | -49.4 | -179.8 | 0 | 0 | 0 | 116.9 | ||||
| 465 | S | 26.6 | Very low | 29.6 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 86.7 | 124.8 | 145.2 | 66.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 466 | K | 28.5 | Very low | 29.7 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -30.5 | 146.2 | 146 | -73.1 | 172.5 | 171 | 175.3 | 0 | 112.5 | ||||
| 467 | V | 27.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 140.1 | 95.6 | 142.5 | 171.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 468 | L | 24.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | 67.8 | 99.4 | 98.4 | -143.1 | 84.8 | 0 | 0 | 0 | 111.9 | T470 | L468-T470 HydrophobicContact CD2-CG2 3.36Å; L468-T470 HydrophobicContact CG-CG2 3.82Å; L468-T470 PolarHBondContact O-N 3.17Å | |||
| 469 | F | 25.7 | Very low | 29.9 | Very low | 227 Ų | 227 | 142.4 Ų | 142.4 | 100% | 0.996 | 77% | 0.771 | S | S | * | * | trans | -81.6 | 100.9 | 148.7 | -80.6 | -80.7 | 0 | 0 | 0 | 107.3 | ||||
| 470 | T | 23.9 | Very low | 30 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 57% | 0.571 | 78% | 0.778 | S | S | * | * | trans | -97.7 | 151.8 | 157.4 | 41.6 | 0 | 0 | 0 | 0 | 110.5 | L468 | L468-T470 HydrophobicContact CD2-CG2 3.36Å; L468-T470 HydrophobicContact CG-CG2 3.82Å; L468-T470 PolarHBondContact O-N 3.17Å | ||
| 471 | T | 32.1 | Very low | 29.7 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 98.8 | 90.5 | 163.6 | 74.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 472 | K | 27.5 | Very low | 30 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | 84.9 | 157.8 | 71.3 | -87.3 | -171.9 | 178.6 | -179.5 | 0 | 112.6 | |||||
| 473 | P | 37.9 | Very low | 29.7 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -141.4 | 162.9 | -25.7 | 35.8 | -17.6 | 0 | 0 | 0 | 114.9 | ||||
| 474 | A | 30 | Very low | 29.6 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -166.3 | 107.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 475 | T | 31.2 | Very low | 29.6 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 32.4 | 132.9 | 139.3 | 54.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 476 | S | 33.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -177.9 | 144.2 | 24.1 | 45 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 477 | N | 30.9 | Very low | 29.4 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | 52 | 138.1 | 143.5 | -58.6 | -16 | 0 | 0 | 0 | 120.1 | ||||
| 478 | L | 34.3 | Very low | 29.6 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | cis | -165.1 | 152.8 | 34 | -159.4 | 72.7 | 0 | 0 | 0 | 111.3 | ||||
| 479 | S | 32.1 | Very low | 29.9 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | -39.3 | 171 | 175 | 62.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 480 | K | 29.5 | Very low | 30.5 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | cis | -176.2 | 158 | -7.3 | -105.6 | 174.2 | 178.8 | -178.8 | 0 | 105.9 | ||||
| 481 | E | 25.3 | Very low | 30.9 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -88.4 | -173.9 | 171 | -142.7 | -159.9 | 163.6 | 0 | 0 | 112 | ||||
| 482 | P | 37.6 | Very low | 30.8 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | -112.8 | -179.3 | -109.5 | 39.2 | -21.3 | 0 | 0 | 0 | 114.7 | |||||
| 483 | T | 28.8 | Very low | 30.7 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -140.2 | 136.1 | 172.4 | -26.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 484 | I | 26.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -83.2 | 143.6 | 178.8 | -64.7 | 165.2 | 0 | 0 | 0 | 110.3 | ||||
| 485 | L | 27.8 | Very low | 30.2 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -151.1 | 130.5 | 149.7 | -160.5 | 71.1 | 0 | 0 | 0 | 111.5 | ||||
| 486 | C | 23.3 | Very low | 30 | Very low | 103 Ų | 103 | 145 Ų | 145 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | trans | -102.9 | 144.4 | 173.2 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 487 | N | 27.2 | Very low | 29.7 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 171.2 | 136.7 | 152.3 | -97.4 | -9.2 | 0 | 0 | 0 | 106.4 | ||||
| 488 | Q | 33.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | cis | -162.3 | 147.3 | 23.6 | -97.3 | 158.3 | 4.3 | 0 | 0 | 110.5 | ||||
| 489 | T | 30.6 | Very low | 29.1 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 23.1 | 145.1 | 151.6 | 46.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 490 | P | 37.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 152 Ų | 152 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -98.3 | 167.8 | -177.4 | 40.7 | -34.7 | 0 | 0 | 0 | 115 | ||||
| 491 | P | 32 | Very low | 28.7 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | -148.8 | 148.5 | 124 | 36.9 | -19.5 | 0 | 0 | 0 | 117.5 | |||||
| 492 | T | 29.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 61.4 | 140.6 | 148 | 44.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 493 | P | 27.4 | Very low | 28.3 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -90.3 | 128.4 | -176.7 | 35.8 | -29.8 | 0 | 0 | 0 | 112 | ||||
| 494 | Q | 28.6 | Very low | 28.2 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -126.1 | 135.2 | 162.4 | -89.1 | -174.2 | -30.8 | 0 | 0 | 110.5 | S496 | Q494-S496 PolarHBondContact O-N 2.93Š| ||
| 495 | R | 27.4 | Very low | 28.3 | Very low | 258 Ų | 258 | 153.3 Ų | 153.3 | 97% | 0.974 | 80% | 0.8 | S | S | * | * | trans | -42.1 | 126.2 | 170.3 | -82.8 | 172.7 | 164 | 169.4 | -5.8 | 111.2 | ||||
| 496 | S | 28.2 | Very low | 28.1 | Very low | 107 Ų | 107 | 154.6 Ų | 154.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -142.1 | 122 | 160.2 | 63.6 | 0 | 0 | 0 | 0 | 111 | Q494 T498 | Q494-S496 PolarHBondContact O-N 2.93Å; S496-T498 PolarHBondContact O-N 2.72Å | ||
| 497 | I | 25.6 | Very low | 28.5 | Very low | 168 Ų | 168 | 157 Ų | 157 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | -48.6 | 121 | 168.5 | -65.3 | 156.8 | 0 | 0 | 0 | 109.2 | K499 | I497-K499 PolarHBondContact O-N 3.07Š| ||
| 498 | T | 28.4 | Very low | 28.4 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | trans | -73.1 | 95 | 175.7 | 13.3 | 0 | 0 | 0 | 0 | 110 | S496 F500 | S496-T498 PolarHBondContact O-N 2.72Å; T498-F500 HydrophobicContact CG2-CD2 4.21Å; T498-F500 HydrophobicContact CG2-CE2 3.68Å; T498-F500 HydrophobicContact CG2-CZ 4.22Å; T498-F500 PolarHBondContact O-N 3.14Å | ||
| 499 | K | 25.1 | Very low | 28.2 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -80.9 | 98.3 | 159.6 | -163.3 | 176 | -173.4 | 179.2 | 0 | 106.8 | I497 T501 | I497-K499 PolarHBondContact O-N 3.07Å; K499-T501 PolarHBondContact O-N 3.32Å | ||
| 500 | F | 28.2 | Very low | 28 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 75% | 0.746 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 112.7 | 174.5 | -88.5 | -81.8 | 0 | 0 | 0 | 110 | T498 | T498-F500 HydrophobicContact CG2-CD2 4.21Å; T498-F500 HydrophobicContact CG2-CE2 3.68Å; T498-F500 HydrophobicContact CG2-CZ 4.22Å; T498-F500 PolarHBondContact O-N 3.14Å | ||
| 501 | T | 25 | Very low | 27.6 | Very low | 126 Ų | 126 | 155.7 Ų | 155.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.6 | 170.7 | -20.1 | 0 | 0 | 0 | 0 | 108.9 | K499 | K499-T501 PolarHBondContact O-N 3.32Š|
| 502 | F | 26.8 | Very low | 27.3 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 121.4 | 167.2 | -83.8 | -91.3 | 0 | 0 | 0 | 109.2 | ||
| 503 | I | 27.8 | Very low | 27.2 | Very low | 145 Ų | 145 | 159 Ų | 159 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 118 | 169.7 | -60.7 | 171.7 | 0 | 0 | 0 | 107 | R505 | I503-R505 PolarHBondContact O-N 2.87Š|
| 504 | P | 26.2 | Very low | 27.1 | Very low | 104 Ų | 104 | 161.2 Ų | 161.2 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -80.3 | 112.7 | 172.6 | 31.2 | -27.9 | 0 | 0 | 0 | 108.3 | Y506 | P504-Y506 PolarHBondContact O-N 2.91Š| ||
| 505 | R | 28.1 | Very low | 27 | Very low | 239 Ų | 239 | 163.6 Ų | 163.6 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -82.2 | 98.6 | 162.2 | -85.7 | -166.9 | -176.6 | -176.9 | 2.6 | 108.6 | I503 N507 | I503-R505 PolarHBondContact O-N 2.87Å; R505-N507 PolarHBondContact O-N 3.37Å | ||
| 506 | Y | 25.1 | Very low | 26.9 | Very low | 201 Ų | 201 | 157.4 Ų | 157.4 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 118.2 | 150.8 | -80.1 | -87.8 | 0 | 0 | 0 | 108.1 | P504 | P504-Y506 PolarHBondContact O-N 2.91Š| ||
| 507 | N | 30.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 158 Ų | 158 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -150.6 | 100.8 | 147 | -99.3 | -4.6 | 0 | 0 | 0 | 106.7 | R505 P509 | R505-N507 PolarHBondContact O-N 3.37Å; N507-P509 WeakPolarHBondContact O-CD 3.44Å | ||
| 508 | V | 25.9 | Very low | 26.8 | Very low | 127 Ų | 127 | 155.3 Ų | 155.3 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 128.2 | 161.2 | 174.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 509 | P | 28.1 | Very low | 26.7 | Very low | 113 Ų | 113 | 158 Ų | 158 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -114.9 | 129.4 | 142.1 | 16 | 2.1 | 0 | 0 | 0 | 109.8 | N507 | N507-P509 WeakPolarHBondContact O-CD 3.44Š| ||
| 510 | T | 26.1 | Very low | 26.7 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -47.7 | 127.5 | 162.2 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 511 | Q | 29.9 | Very low | 26.7 | Very low | 175 Ų | 175 | 157.8 Ų | 157.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 138.7 | 139.9 | 148.6 | -73.1 | -142.8 | -15.7 | 0 | 0 | 112.6 | E513 | Q511-E513 PolarHBondContact O-N 2.98Š| ||
| 512 | P | 26.2 | Very low | 26.8 | Very low | 128 Ų | 128 | 160.8 Ų | 160.8 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -86.3 | 99.5 | -174.4 | 34.2 | -29.2 | 0 | 0 | 0 | 110.3 | ||||
| 513 | E | 27.8 | Very low | 26.9 | Very low | 180 Ų | 180 | 158.7 Ų | 158.7 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -94.7 | 107.2 | 167.3 | -77.1 | -172.3 | 163.3 | 0 | 0 | 110.8 | Q511 Y515 | Q511-E513 PolarHBondContact O-N 2.98Å; E513-Y515 PolarHBondContact O-N 3.24Å | ||
| 514 | K | 24.6 | Very low | 27 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 11 | 103.6 | 137.4 | -92.1 | 175.6 | 164.5 | -177.1 | 0 | 115.8 | ||||
| 515 | Y | 26 | Very low | 27 | Very low | 238 Ų | 238 | 160.3 Ų | 160.3 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | trans | -109.4 | 91.3 | 140.5 | -98.7 | -92.9 | 0 | 0 | 0 | 108 | E513 S517 | E513-Y515 PolarHBondContact O-N 3.24Å; Y515-S517 PolarHBondContact O-N 3.35Å | ||
| 516 | Q | 25.7 | Very low | 26.8 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | trans | -75.8 | 103.3 | 163.2 | -97.9 | 171.5 | -56.5 | 0 | 0 | 107.9 | L518 | Q516-L518 HydrophobicContact CG-CD1 4.36Š| ||
| 517 | S | 25.2 | Very low | 26.9 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -91.3 | 81.5 | 147 | 60 | 0 | 0 | 0 | 0 | 107.2 | Y515 | Y515-S517 PolarHBondContact O-N 3.35Š| ||
| 518 | L | 26.4 | Very low | 26.7 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 59% | 0.592 | 80% | 0.797 | S | S | * | * | trans | -133.8 | 98.9 | 169.4 | -82.8 | 167.3 | 0 | 0 | 0 | 107 | Q516 Y520 | Q516-L518 HydrophobicContact CG-CD1 4.36Å; L518-Y520 HydrophobicContact CD2-CD2 3.99Å | ||
| 519 | I | 26.1 | Very low | 26.8 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -99.9 | 84.8 | 144.6 | -63.1 | 175.2 | 0 | 0 | 0 | 103.9 | ||||
| 520 | Y | 24.9 | Very low | 26.8 | Very low | 199 Ų | 199 | 156.6 Ų | 156.6 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -124.3 | 117.3 | 151.2 | -91.3 | -82.5 | 0 | 0 | 0 | 103.8 | L518 E522 | L518-Y520 HydrophobicContact CD2-CD2 3.99Å; Y520-E522 PolarHBondContact O-N 3.08Å | ||
| 521 | D | 27.6 | Very low | 26.9 | Very low | 161 Ų | 161 | 158.3 Ų | 158.3 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.4 | 168.4 | -82.2 | -36 | 0 | 0 | 0 | 108.4 | ||
| 522 | E | 27.6 | Very low | 26.6 | Very low | 188 Ų | 188 | 158.9 Ų | 158.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.5 | 161 | -73.1 | 175.5 | 157.7 | 0 | 0 | 109.1 | Y520 | Y520-E522 PolarHBondContact O-N 3.08Š|
| 523 | I | 29.9 | Very low | 26.6 | Very low | 158 Ų | 158 | 159.7 Ų | 159.7 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 132.6 | 148.5 | -63.7 | 174.2 | 0 | 0 | 0 | 105.7 | ||
| 524 | P | 28.9 | Very low | 26.4 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 141.9 | -171.2 | -10.9 | 26.8 | 0 | 0 | 0 | 114.1 | ||
| 525 | D | 25.7 | Very low | 26.4 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 140.8 | 172.8 | -81.1 | -40.9 | 0 | 0 | 0 | 113.9 | ||
| 526 | C | 24.5 | Very low | 26.3 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -170.4 | 107.7 | 152.2 | -83.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 527 | F | 26.9 | Very low | 26.4 | Very low | 204 Ų | 204 | 151.9 Ų | 151.9 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | -164 | 140.1 | 62.3 | -117.8 | -96.1 | 0 | 0 | 0 | 110.6 | |||||
| 528 | L | 27.6 | Very low | 26.4 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -47.8 | 159.8 | 166 | -67.4 | 148.8 | 0 | 0 | 0 | 112.5 | ||||
| 529 | Q | 27.3 | Very low | 26.4 | Very low | 148 Ų | 148 | 155.6 Ų | 155.6 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | 179.2 | 162.3 | 25 | -133 | 169.8 | -5.5 | 0 | 0 | 109.5 | ||||
| 530 | H | 28.4 | Very low | 26.5 | Very low | 142 Ų | 142 | 153.2 Ų | 153.2 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | trans | 70 | 139.3 | 157.3 | -82.1 | -87.8 | 0 | 0 | 0 | 117.6 | ||||
| 531 | E | 27.7 | Very low | 26.7 | Very low | 164 Ų | 164 | 152 Ų | 152 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -169.3 | 166.7 | 0.9 | -157.2 | 164.5 | 177.3 | 0 | 0 | 108.9 | ||||
| 532 | K | 23 | Very low | 26.6 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 79% | 0.787 | S | S | * | * | trans | -53.7 | 149.1 | 178.9 | -64.2 | 163.4 | 173.4 | 171.9 | 0 | 115 | ||||
| 533 | T | 26.1 | Very low | 26.4 | Very low | 146 Ų | 146 | 149 Ų | 149 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | 164.2 | 162.4 | 112.8 | 37.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 534 | Q | 23.4 | Very low | 26.3 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 165.5 | -173.4 | -62.9 | 179.2 | -39.9 | 0 | 0 | 115.9 | ||||
| 535 | L | 24.9 | Very low | 26.3 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | 98 | 116.9 | 137.3 | -125.7 | 82.9 | 0 | 0 | 0 | 120.2 | ||||
| 536 | T | 24.6 | Very low | 26.2 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | trans | 72.7 | 123.8 | 138.9 | 45.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 537 | N | 27.8 | Very low | 26.1 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 82.8 | 108.3 | 137.9 | -61.8 | -0.3 | 0 | 0 | 0 | 120.8 | ||||
| 538 | D | 25.3 | Very low | 25.9 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | 46.8 | 120.1 | 132.4 | -61.4 | -31 | 0 | 0 | 0 | 121 | ||||
| 539 | I | 26.4 | Very low | 25.8 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | -169.7 | 142.7 | 117.7 | -88.9 | 151.7 | 0 | 0 | 0 | 108.8 | |||||
| 540 | P | 27.5 | Very low | 25.7 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -99.9 | 150 | -162.7 | 37.1 | -30.6 | 0 | 0 | 0 | 114.2 | ||||
| 541 | I | 28.8 | Very low | 25.7 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -141.5 | 115.8 | 167.9 | -56.1 | 179.6 | 0 | 0 | 0 | 111.4 | ||||
| 542 | G | 26.5 | Very low | 25.7 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | 75.6 | 101.3 | 130 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 543 | K | 24.1 | Very low | 25.7 | Very low | 212 Ų | 212 | 148.7 Ų | 148.7 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -67 | 135.9 | 148.5 | -76.8 | -179.9 | 175.9 | 178.3 | 0 | 109.8 | ||||
| 544 | S | 26.1 | Very low | 25.7 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 176.4 | 147.1 | 119.3 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 545 | Q | 29.3 | Very low | 25.9 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | 70.2 | 106.1 | 159.4 | -46.4 | -152.9 | -44.3 | 0 | 0 | 118.9 | ||||
| 546 | L | 23.8 | Very low | 26.1 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | 79.3 | 104.9 | 70.6 | -164.5 | 91.7 | 0 | 0 | 0 | 113.1 | |||||
| 547 | S | 22.5 | Very low | 26.2 | Very low | 99 Ų | 99 | 155.7 Ų | 155.7 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | 177.2 | 123.6 | 126.7 | 36.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 548 | I | 23.7 | Very low | 26.1 | Very low | 141 Ų | 141 | 156.9 Ų | 156.9 | 72% | 0.723 | 81% | 0.81 | S | S | * | * | trans | 64.5 | 104.7 | 131.1 | -48.9 | 162.7 | 0 | 0 | 0 | 117.6 | ||||
| 549 | Y | 23.8 | Very low | 26.2 | Very low | 232 Ų | 232 | 155.7 Ų | 155.7 | 91% | 0.91 | 81% | 0.808 | S | S | * | * | -147.8 | 131.3 | 128.6 | -107.3 | -81.2 | 0 | 0 | 0 | 109.9 | |||||
| 550 | E | 27.1 | Very low | 26.2 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -68.4 | 152.1 | -170 | -63.4 | 164.6 | 141.5 | 0 | 0 | 113.4 | ||||
| 551 | P | 27.6 | Very low | 26.1 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 127.6 | 168.7 | 32.1 | -28.2 | 0 | 0 | 0 | 109.7 | S553 | P551-S553 PolarHBondContact O-N 3.26Š| ||
| 552 | Y | 26.6 | Very low | 26 | Very low | 229 Ų | 229 | 157.5 Ų | 157.5 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -46.6 | 108.2 | 173.1 | -82.8 | -95.8 | 0 | 0 | 0 | 111.4 | ||||
| 553 | S | 24.7 | Very low | 26 | Very low | 111 Ų | 111 | 160.3 Ų | 160.3 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -109.5 | 78 | 160.4 | 49.4 | 0 | 0 | 0 | 0 | 107.7 | P551 | P551-S553 PolarHBondContact O-N 3.26Š| ||
| 554 | Q | 24.9 | Very low | 26.1 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -140.3 | 74.9 | 161.5 | -74.1 | -162.8 | -24.8 | 0 | 0 | 108.5 | E556 | Q554-E556 VanDerWaalsContact C-N 3.29Å; Q554-E556 PolarHBondContact O-N 2.88Å | ||
| 555 | L | 28.8 | Very low | 26.2 | Very low | 157 Ų | 157 | 160.4 Ų | 160.4 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 92.2 | 144.9 | -93.2 | 152.1 | 0 | 0 | 0 | 105.1 | Y557 | L555-Y557 PolarHBondContact O-N 3.22Š| ||
| 556 | E | 27.5 | Very low | 26 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -63.3 | 116.9 | 166.4 | -157 | 164.9 | -158.7 | 0 | 0 | 106.7 | Q554 D558 | Q554-E556 VanDerWaalsContact C-N 3.29Å; Q554-E556 PolarHBondContact O-N 2.88Å; E556-D558 PolarHBondContact O-N 3.15Å | ||
| 557 | Y | 28 | Very low | 26.2 | Very low | 208 Ų | 208 | 158.2 Ų | 158.2 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -67.7 | 99.2 | 174.7 | -84 | -96.9 | 0 | 0 | 0 | 108.5 | L555 T559 | L555-Y557 PolarHBondContact O-N 3.22Å; Y557-T559 PolarHBondContact O-N 2.93Å | ||
| 558 | D | 25.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 163.1 Ų | 163.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 87.4 | 153.8 | -88.7 | -19.6 | 0 | 0 | 0 | 107.5 | E556 L560 | E556-D558 PolarHBondContact O-N 3.15Å; D558-L560 PolarHBondContact O-N 2.88Å | ||
| 559 | T | 25.8 | Very low | 26.6 | Very low | 120 Ų | 120 | 163 Ų | 163 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -67.1 | 87.3 | 160.9 | 35 | 0 | 0 | 0 | 0 | 107.3 | Y557 D561 | Y557-T559 PolarHBondContact O-N 2.93Å; T559-D561 PolarHBondContact O-N 3.13Å | ||
| 560 | L | 27.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -72.9 | 108.3 | 160.6 | -153 | 83.4 | 0 | 0 | 0 | 106.9 | D558 M562 | D558-L560 PolarHBondContact O-N 2.88Å; L560-M562 PolarHBondContact O-N 3.18Å | ||
| 561 | D | 24.5 | Very low | 26.8 | Very low | 150 Ų | 150 | 159.7 Ų | 159.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -36.9 | 100 | 165.1 | -87.6 | -42.4 | 0 | 0 | 0 | 111.1 | T559 T563 | T559-D561 PolarHBondContact O-N 3.13Å; D561-T563 VanDerWaalsContact C-N 3.3Å; D561-T563 PolarHBondContact O-N 3.02Å | ||
| 562 | M | 27.3 | Very low | 26.9 | Very low | 179 Ų | 179 | 161.8 Ų | 161.8 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -81.5 | 91.7 | 151.5 | -89.8 | -166.6 | -62.1 | 0 | 0 | 106.8 | L560 I564 | L560-M562 PolarHBondContact O-N 3.18Å; M562-I564 PolarHBondContact O-N 2.73Å | ||
| 563 | T | 27.2 | Very low | 26.8 | Very low | 131 Ų | 131 | 158.6 Ų | 158.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -34.4 | 118.6 | 160.6 | -11.2 | 0 | 0 | 0 | 0 | 110.4 | D561 E565 | D561-T563 VanDerWaalsContact C-N 3.3Å; D561-T563 PolarHBondContact O-N 3.02Å; T563-E565 PolarHBondContact O-N 3.31Å | ||
| 564 | I | 26 | Very low | 27 | Very low | 139 Ų | 139 | 162.1 Ų | 162.1 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -57.8 | 102 | 169.5 | -66.2 | 168.7 | 0 | 0 | 0 | 108.2 | M562 T566 | M562-I564 PolarHBondContact O-N 2.73Å; I564-T566 VanDerWaalsContact C-N 3.28Å; I564-T566 HydrophobicContact CG2-CG2 3.36Å; I564-T566 PolarHBondContact O-N 3.07Å | ||
| 565 | E | 27.8 | Very low | 27 | Very low | 184 Ų | 184 | 161.1 Ų | 161.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -77.8 | 89.9 | 151.7 | -87.4 | -163.1 | 164.2 | 0 | 0 | 107.9 | T563 K567 | T563-E565 PolarHBondContact O-N 3.31Å; E565-K567 PolarHBondContact O-N 3.2Å | ||
| 566 | T | 25.7 | Very low | 27 | Very low | 105 Ų | 105 | 160.1 Ų | 160.1 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | trans | -65.9 | 94.9 | 162.7 | 31.2 | 0 | 0 | 0 | 0 | 108.6 | I564 Y568 | I564-T566 VanDerWaalsContact C-N 3.28Å; I564-T566 HydrophobicContact CG2-CG2 3.36Å; I564-T566 PolarHBondContact O-N 3.07Å; T566-Y568 PolarHBondContact O-N 3.36Å | ||
| 567 | K | 27.7 | Very low | 27 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -87.3 | 94.5 | 153.2 | -102.9 | -178.7 | 179.9 | 173.3 | 0 | 108.9 | E565 T569 | E565-K567 PolarHBondContact O-N 3.2Å; K567-T569 PolarHBondContact O-N 2.89Å | ||
| 568 | Y | 24.1 | Very low | 27.1 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -49.8 | 117.8 | 154 | -89.7 | -96.9 | 0 | 0 | 0 | 109.9 | T566 | T566-Y568 PolarHBondContact O-N 3.36Š| ||
| 569 | T | 29.9 | Very low | 27.3 | Very low | 137 Ų | 137 | 153 Ų | 153 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -137.4 | 116.9 | 145.6 | 35.7 | 0 | 0 | 0 | 0 | 109 | K567 | K567-T569 PolarHBondContact O-N 2.89Š| ||
| 570 | N | 25.6 | Very low | 27.6 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -46.2 | 141.4 | 173.4 | -61.2 | -35.6 | 0 | 0 | 0 | 113 | ||||
| 571 | H | 29.2 | Very low | 27.8 | Very low | 190 Ų | 190 | 151.6 Ų | 151.6 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | -164.8 | 119.9 | 110.3 | -100.1 | -56.5 | 0 | 0 | 0 | 112 | |||||
| 572 | Q | 29.7 | Very low | 28.1 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 145.1 | 162.3 | -92.7 | 162.5 | -71.7 | 0 | 0 | 111.4 | ||||
| 573 | E | 25.5 | Very low | 28.4 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 19.5 | 124.1 | 139.5 | -65.5 | 175.3 | 145.5 | 0 | 0 | 118.9 | ||||
| 574 | M | 27.6 | Very low | 28.5 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -143 | 99.7 | 144.3 | -85.4 | -77.5 | -84 | 0 | 0 | 108.8 | ||||
| 575 | L | 24.9 | Very low | 28.7 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -69.6 | 125.6 | 143.4 | -84.3 | 129.8 | 0 | 0 | 0 | 107.1 | ||||
| 576 | D | 28.7 | Very low | 28.9 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 168.8 | 136.4 | 119.6 | -114 | -13.5 | 0 | 0 | 0 | 112.2 | |||||
| 577 | T | 29 | Very low | 29 | Very low | 110 Ų | 110 | 157 Ų | 157 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | 48.4 | 141.5 | 142.8 | 61.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 578 | T | 29.2 | Very low | 29 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | 179.8 | 138.6 | 5.1 | 20.5 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 579 | D | 31.3 | Very low | 29.2 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -165.3 | 83.6 | 143 | -95.1 | -19.6 | 0 | 0 | 0 | 110.7 | ||||
| 580 | N | 30.8 | Very low | 29 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 7.3 | 127.2 | 131.6 | -138.9 | 5.5 | 0 | 0 | 0 | 119 | ||||
| 581 | V | 32.3 | Very low | 29.3 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | 150.2 | 131.3 | 115.3 | 169.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 582 | N | 31.5 | Very low | 29.1 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 86.6 | 90.7 | 164.3 | -69.5 | -13.3 | 0 | 0 | 0 | 120.1 | ||||
| 583 | N | 32.2 | Very low | 29 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | -175 | 128.4 | 84.1 | -95.3 | -22.8 | 0 | 0 | 0 | 112.6 | |||||
| 584 | Q | 29.2 | Very low | 29 | Very low | 194 Ų | 194 | 152.5 Ų | 152.5 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -63.4 | 158.3 | 161.1 | -63.5 | 164.4 | -39 | 0 | 0 | 108.9 | ||||
| 585 | A | 31.6 | Very low | 29.1 | Very low | 90 Ų | 90 | 153 Ų | 153 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | cis | -158.1 | 155.5 | 25.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 586 | Q | 31.8 | Very low | 29 | Very low | 199 Ų | 199 | 153 Ų | 153 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | -166.3 | 146.6 | 65.1 | -84.9 | 177.7 | -41.3 | 0 | 0 | 109.8 | |||||
| 587 | R | 27.3 | Very low | 29 | Very low | 227 Ų | 227 | 155.6 Ų | 155.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -90.9 | 155 | 175.4 | -91.8 | -178.1 | 176.5 | 176.5 | -0.6 | 111.7 | ||||
| 588 | T | 28.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 159.4 Ų | 159.4 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 67.5 | 136.2 | 143 | 49.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 589 | T | 28.2 | Very low | 28.6 | Very low | 110 Ų | 110 | 157 Ų | 157 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | cis | -174.4 | 147.6 | 33.5 | -19.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 590 | Y | 26.3 | Very low | 28.4 | Very low | 231 Ų | 231 | 157.5 Ų | 157.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | -178.6 | 128.4 | 121.6 | -108.2 | -80 | 0 | 0 | 0 | 111 | |||||
| 591 | Q | 30.5 | Very low | 28.3 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | -86.4 | 151.5 | -179.4 | -77.4 | 176.9 | -56.4 | 0 | 0 | 112.8 | ||||
| 592 | N | 24.7 | Very low | 27.9 | Very low | 142 Ų | 142 | 158.1 Ų | 158.1 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 41.7 | 131.8 | 134.1 | -62.1 | -22.2 | 0 | 0 | 0 | 121.6 | ||||
| 593 | S | 29 | Very low | 27.6 | Very low | 116 Ų | 116 | 161.7 Ų | 161.7 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | -173.2 | 132.3 | 108.6 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 594 | K | 24.6 | Very low | 27.3 | Very low | 203 Ų | 203 | 161.4 Ų | 161.4 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -72 | 148.7 | 158.2 | -79.5 | 175.8 | 171.6 | 176.5 | 0 | 110 | ||||
| 595 | H | 29.3 | Very low | 27.2 | Very low | 196 Ų | 196 | 155.9 Ų | 155.9 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -148.1 | 145.9 | 145.3 | -111.5 | -69.8 | 0 | 0 | 0 | 112.1 | ||||
| 596 | L | 23.8 | Very low | 26.9 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -116.6 | 144 | -172.8 | -148.2 | 109.7 | 0 | 0 | 0 | 108.8 | ||||
| 597 | K | 28.3 | Very low | 26.8 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 160.5 | 116.9 | 146.8 | -92.7 | 176 | 179 | -173 | 0 | 109.6 | ||||
| 598 | Q | 23.6 | Very low | 26.7 | Very low | 190 Ų | 190 | 153 Ų | 153 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | 83.2 | 126 | 69.8 | -105.5 | -178 | -8.9 | 0 | 0 | 116.9 | |||||
| 599 | G | 26.7 | Very low | 26.5 | Very low | 64 Ų | 64 | 157.2 Ų | 157.2 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | 158.9 | 101.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 600 | Q | 27.2 | Very low | 26.5 | Very low | 176 Ų | 176 | 160.1 Ų | 160.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | 57.7 | 134.1 | 92.6 | -82.5 | 179.1 | -73.7 | 0 | 0 | 113.7 | |||||
| 601 | E | 27.4 | Very low | 26.5 | Very low | 150 Ų | 150 | 157.9 Ų | 157.9 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -164.4 | 136.1 | 21.3 | -107.7 | 161.6 | -166.6 | 0 | 0 | 109.2 | ||||
| 602 | V | 24.3 | Very low | 26.8 | Very low | 118 Ų | 118 | 155.4 Ų | 155.4 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | 60.7 | 115.9 | 106.4 | -173.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 603 | F | 26.5 | Very low | 27.2 | Very low | 210 Ų | 210 | 157.4 Ų | 157.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -156.2 | 131.3 | 130.3 | -118.8 | -82.6 | 0 | 0 | 0 | 111.7 | ||||
| 604 | L | 24.8 | Very low | 27.3 | Very low | 149 Ų | 149 | 159.6 Ų | 159.6 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -81.8 | 154.2 | 176.2 | -87.9 | 105.8 | 0 | 0 | 0 | 112.5 | ||||
| 605 | G | 27.7 | Very low | 27.5 | Very low | 79 Ų | 79 | 157.6 Ų | 157.6 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -169.3 | 106.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 606 | N | 25.8 | Very low | 27.7 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 62% | 0.62 | 78% | 0.783 | S | S | * | * | trans | -66.8 | 152.2 | -178.8 | -68.8 | -28.7 | 0 | 0 | 0 | 114.5 | ||||
| 607 | Y | 28.2 | Very low | 28.6 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | 158.5 | 127.5 | 104.4 | -86.6 | -69 | 0 | 0 | 0 | 114.6 | |||||
| 608 | M | 26.2 | Very low | 28.6 | Very low | 149 Ų | 149 | 156.2 Ų | 156.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | 65.5 | 115.9 | 137.9 | -79.2 | -172.3 | -68.1 | 0 | 0 | 124.1 | ||||
| 609 | Y | 23.5 | Very low | 28.9 | Very low | 209 Ų | 209 | 154.4 Ų | 154.4 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | 40.7 | 124.5 | 123.1 | -80 | -92.2 | 0 | 0 | 0 | 120 | |||||
| 610 | L | 27.8 | Very low | 29 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | -176.9 | 135.8 | 108.7 | -93.2 | 158.5 | 0 | 0 | 0 | 111.8 | |||||
| 611 | E | 26.2 | Very low | 29.1 | Very low | 183 Ų | 183 | 158.4 Ų | 158.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -94.7 | 174 | 170.8 | -109.2 | -161 | 161.9 | 0 | 0 | 111.1 | ||||
| 612 | P | 38.2 | Very low | 29.2 | Very low | 110 Ų | 110 | 158.9 Ų | 158.9 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | trans | -103 | 168.6 | -142.1 | 40.3 | -37.6 | 0 | 0 | 0 | 115.9 | ||||
| 613 | K | 31.6 | Very low | 29.6 | Very low | 185 Ų | 185 | 161.7 Ų | 161.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -172.6 | 131 | 148.3 | -109.1 | 172.6 | -174.4 | -177.2 | 0 | 115.7 | ||||
| 614 | Q | 31.8 | Very low | 29.8 | Very low | 161 Ų | 161 | 158.2 Ų | 158.2 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 54.4 | 119.4 | 134.3 | -73.9 | 177.6 | -42.4 | 0 | 0 | 124.3 | ||||
| 615 | L | 29.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 158.9 Ų | 158.9 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | 51.8 | 145.1 | 126.5 | -101.2 | 94.9 | 0 | 0 | 0 | 124.5 | |||||
| 616 | S | 32.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 165.6 Ų | 165.6 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | 82.4 | 107.4 | 158.8 | 74.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 617 | I | 43.4 | Very low | 30.8 | Very low | 246 Ų | 246 | 170.1 Ų | 170.1 | 100% | 1.262 | 83% | 0.833 | S | S | * | * | -135.4 | 0 | 106.9 | -63 | -173.9 | 0 | 0 | 0 | 107.5 |
Retrieved 617 of 617 residues in 729.5 ms
(Link to these results)