| 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 | 61.4 | Low | 74.2 | Confident | 212 Ų | 212 | 117.9 Ų | 117.9 | 100% | 1.044 | 62% | 0.616 | S | S | * | * | 0 | -46.4 | 0 | -63.9 | -167.9 | 167.6 | 0 | 0 | 113.4 | L3 H4 S5 | M1-L3 PolarHBondContact O-N 3.07Å; M1-H4 PolarHBondContact O-N 3.43Å; M1-S5 PolarHBondContact O-N 3.44Å | |||
| 2 | K | 64.6 | Low | 74.5 | Confident | 183 Ų | 183 | 116.4 Ų | 116.4 | 80% | 0.796 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.9 | -36.2 | 177.2 | -84.1 | -169.4 | 169.4 | 173.9 | 0 | 115.1 | S5 L6 | K2-S5 WeakPolarHBondContact O-CB 3.39Å; K2-S5 PolarHBondContact O-N 3.36Å; K2-L6 WeakPolarHBondContact O-CG 3.26Å; K2-L6 PolarHBondContact O-N 3.36Å |
| 3 | L | 69.8 | Low | 74.2 | Confident | 121 Ų | 121 | 118.2 Ų | 118.2 | 63% | 0.634 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.7 | -44.7 | -179.1 | -168.7 | 71.3 | 0 | 0 | 0 | 112.6 | M1 S5 L6 I7 | M1-L3 PolarHBondContact O-N 3.07Å; L3-S5 VanDerWaalsContact C-N 3.29Å; L3-S5 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 3.41Å; L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CD1 3.49Å; L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.29Å; L3-I7 PolarHBondContact O-N 2.95Å |
| 4 | H | 72.2 | Confident | 73.9 | Confident | 141 Ų | 141 | 116.6 Ų | 116.6 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.1 | -36.5 | 177 | -67.5 | -73.6 | 0 | 0 | 0 | 112.1 | M1 I7 S8 | M1-H4 PolarHBondContact O-N 3.43Å; H4-I7 PolarHBondContact O-N 3.33Å; H4-S8 WeakPolarHBondContact O-CB 3.38Å; H4-S8 PolarHBondContact O-N 2.94Å |
| 5 | S | 75.2 | Confident | 73.8 | Confident | 75 Ų | 75 | 116.1 Ų | 116.1 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.3 | -42.5 | 174.7 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | M1 K2 L3 S8 V9 | M1-S5 PolarHBondContact O-N 3.44Å; K2-S5 WeakPolarHBondContact O-CB 3.39Å; K2-S5 PolarHBondContact O-N 3.36Å; L3-S5 VanDerWaalsContact C-N 3.29Å; L3-S5 PolarHBondContact O-N 3.47Å; S5-S8 PolarHBondContact O-N 3.02Å; S5-V9 VanDerWaalsContact O-CG2 3.26Å; S5-V9 WeakPolarHBondContact O-CG2 3.48Å; S5-V9 PolarHBondContact O-N 3.28Å; S5-V9 VanDerWaalsContact O-N 3.07Å |
| 6 | L | 76.9 | Confident | 73.5 | Confident | 119 Ų | 119 | 117 Ų | 117 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.4 | -41.3 | 177.2 | -72.3 | 166.9 | 0 | 0 | 0 | 111.8 | K2 L3 V9 L10 | K2-L6 WeakPolarHBondContact O-CG 3.26Å; K2-L6 PolarHBondContact O-N 3.36Å; L3-L6 PolarHBondContact O-N 3.41Å; L6-V9 PolarHBondContact O-N 3.47Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 PolarHBondContact O-N 2.96Å |
| 7 | I | 79.4 | Confident | 73.2 | Confident | 80 Ų | 80 | 117.3 Ų | 117.3 | 41% | 0.41 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.7 | -43.8 | 176.7 | -69.2 | 160.9 | 0 | 0 | 0 | 110.8 | L3 H4 V9 L10 L11 | L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CD1 3.49Å; L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.29Å; L3-I7 PolarHBondContact O-N 2.95Å; H4-I7 PolarHBondContact O-N 3.33Å; I7-V9 VanDerWaalsContact C-N 3.35Å; I7-V9 PolarHBondContact O-N 3.43Å; I7-L10 PolarHBondContact O-N 3.22Å; I7-L11 HydrophobicContact CG2-CD1 3.95Å; I7-L11 HydrophobicContact CG2-CG 4.45Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 3.28Å |
| 8 | S | 79.7 | Confident | 72.7 | Confident | 69 Ų | 69 | 116.8 Ų | 116.8 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 179.2 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | H4 S5 L11 L12 | H4-S8 WeakPolarHBondContact O-CB 3.38Å; H4-S8 PolarHBondContact O-N 2.94Å; S5-S8 PolarHBondContact O-N 3.02Å; S8-L11 PolarHBondContact O-N 3.41Å; S8-L12 PolarHBondContact O-N 3.14Å; S8-L12 VanDerWaalsContact O-N 3.15Å |
| 9 | V | 79.6 | Confident | 72.2 | Confident | 68 Ų | 68 | 121.7 Ų | 121.7 | 41% | 0.412 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.1 | -44.2 | 174.4 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | S5 L6 I7 L11 L12 F13 | S5-V9 VanDerWaalsContact O-CG2 3.26Å; S5-V9 WeakPolarHBondContact O-CG2 3.48Å; S5-V9 PolarHBondContact O-N 3.28Å; S5-V9 VanDerWaalsContact O-N 3.07Å; L6-V9 PolarHBondContact O-N 3.47Å; I7-V9 VanDerWaalsContact C-N 3.35Å; I7-V9 PolarHBondContact O-N 3.43Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.15Å; V9-L12 WeakPolarHBondContact O-CB 3.3Å; V9-L12 PolarHBondContact O-N 3.47Å; V9-F13 HydrophobicContact CG1-CD2 3.83Å; V9-F13 HydrophobicContact CG1-CE2 3.59Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 2.98Å; V9-F13 VanDerWaalsContact O-N 3.14Å |
| 10 | L | 79.7 | Confident | 71.3 | Confident | 120 Ų | 120 | 118.7 Ų | 118.7 | 63% | 0.628 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60 | -43 | 178.1 | -164.1 | 79.1 | 0 | 0 | 0 | 112 | L6 I7 F13 V14 | L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 3.22Å; L10-F13 PolarHBondContact O-N 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.42Å; L10-V14 VanDerWaalsContact O-N 3.17Å |
| 11 | L | 77.7 | Confident | 70.7 | Confident | 109 Ų | 109 | 122.8 Ų | 122.8 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.8 | -39.4 | 178.7 | -71 | 169.9 | 0 | 0 | 0 | 112.2 | I7 S8 V9 F13 V14 T15 | I7-L11 HydrophobicContact CG2-CD1 3.95Å; I7-L11 HydrophobicContact CG2-CG 4.45Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.43Å; I7-L11 PolarHBondContact O-N 3.28Å; S8-L11 PolarHBondContact O-N 3.41Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.15Å; L11-F13 VanDerWaalsContact C-N 3.35Å; L11-F13 PolarHBondContact O-N 3.5Å; L11-V14 PolarHBondContact O-N 3.24Å; L11-T15 PolarHBondContact O-N 3.3Å |
| 12 | L | 77.5 | Confident | 70.3 | Confident | 100 Ų | 100 | 119.3 Ų | 119.3 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -59.8 | -44 | 173.6 | -91.1 | 156.9 | 0 | 0 | 0 | 111.7 | S8 V9 V14 T15 L16 | S8-L12 PolarHBondContact O-N 3.14Å; S8-L12 VanDerWaalsContact O-N 3.15Å; V9-L12 WeakPolarHBondContact O-CB 3.3Å; V9-L12 PolarHBondContact O-N 3.47Å; L12-V14 VanDerWaalsContact C-N 3.34Å; L12-V14 PolarHBondContact O-N 3.23Å; L12-T15 PolarHBondContact O-N 3.48Å; L12-T15 PolarHBondContact O-OG1 3.17Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 PolarHBondContact O-N 3.48Å |
| 13 | F | 71 | Confident | 69.8 | Low | 139 Ų | 139 | 113.5 Ų | 113.5 | 61% | 0.61 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.3 | -38.8 | 177.3 | -83.9 | -73.3 | 0 | 0 | 0 | 113 | V9 L10 L11 T15 L16 I17 | V9-F13 HydrophobicContact CG1-CD2 3.83Å; V9-F13 HydrophobicContact CG1-CE2 3.59Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 2.98Å; V9-F13 VanDerWaalsContact O-N 3.14Å; L10-F13 PolarHBondContact O-N 3.22Å; L11-F13 VanDerWaalsContact C-N 3.35Å; L11-F13 PolarHBondContact O-N 3.5Å; F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 3.42Å; F13-L16 PolarHBondContact O-N 3.28Å; F13-I17 WeakPolarHBondContact O-CG1 3.41Å; F13-I17 PolarHBondContact O-N 2.76Å |
| 14 | V | 69.6 | Low | 69.4 | Low | 96 Ų | 96 | 111.6 Ų | 111.6 | 58% | 0.582 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.6 | -36.8 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | L10 L11 L12 L16 I17 | L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.42Å; L10-V14 VanDerWaalsContact O-N 3.17Å; L11-V14 PolarHBondContact O-N 3.24Å; L12-V14 VanDerWaalsContact C-N 3.34Å; L12-V14 PolarHBondContact O-N 3.23Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.29Å; V14-I17 PolarHBondContact O-N 3.25Å |
| 15 | T | 72.2 | Confident | 69.1 | Low | 109 Ų | 109 | 108.2 Ų | 108.2 | 67% | 0.669 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.8 | -22.3 | 178 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | L11 L12 F13 | L11-T15 PolarHBondContact O-N 3.3Å; L12-T15 PolarHBondContact O-N 3.48Å; L12-T15 PolarHBondContact O-OG1 3.17Å; F13-T15 VanDerWaalsContact C-N 3.3Å; F13-T15 PolarHBondContact O-N 3.42Å |
| 16 | L | 69.8 | Low | 69.1 | Low | 131 Ų | 131 | 109.8 Ų | 109.8 | 69% | 0.686 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -7.9 | 177.6 | -101.9 | 97 | 0 | 0 | 0 | 113.7 | L12 F13 V14 P18 | L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 PolarHBondContact O-N 3.48Å; F13-L16 PolarHBondContact O-N 3.28Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.29Å; L16-P18 WeakPolarHBondContact O-CD 3.13Å; L16-P18 VanDerWaalsContact O-N 3.16Å |
| 17 | I | 68.2 | Low | 69.4 | Low | 122 Ų | 122 | 105.1 Ų | 105.1 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -70.7 | 112 | 176.8 | -54.1 | -176.2 | 0 | 0 | 0 | 107.6 | F13 V14 K19 | F13-I17 WeakPolarHBondContact O-CG1 3.41Å; F13-I17 PolarHBondContact O-N 2.76Å; V14-I17 PolarHBondContact O-N 3.25Å; I17-K19 PolarHBondContact O-N 3.48Å |
| 18 | P | 65 | Low | 69.8 | Low | 108 Ų | 108 | 105 Ų | 105 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | trans | -59.1 | 134 | 175.6 | 24.2 | -31 | 0 | 0 | 0 | 108.1 | L16 G20 | L16-P18 WeakPolarHBondContact O-CD 3.13Å; L16-P18 VanDerWaalsContact O-N 3.16Å; P18-G20 VanDerWaalsContact C-N 3.31Å; P18-G20 PolarHBondContact O-N 3.09Å | ||
| 19 | K | 62.2 | Low | 70.2 | Confident | 211 Ų | 211 | 108.4 Ų | 108.4 | 92% | 0.917 | 60% | 0.603 | S | S | * | * | trans | -50.4 | 101.6 | 170 | -108.5 | 172.5 | 174.6 | 160 | 0 | 107.1 | I17 K21 | I17-K19 PolarHBondContact O-N 3.48Å; K19-K21 PolarHBondContact O-N 2.74Å; K19-K21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | G | 53.9 | Low | 70.6 | Confident | 61 Ų | 61 | 111.6 Ų | 111.6 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | trans | -53 | 123.8 | 178 | 0 | 0 | 0 | 0 | 0 | 106.7 | P18 T22 | P18-G20 VanDerWaalsContact C-N 3.31Å; P18-G20 PolarHBondContact O-N 3.09Å; G20-T22 PolarHBondContact O-N 2.77Å | ||
| 21 | K | 59.6 | Low | 71.1 | Confident | 204 Ų | 204 | 106 Ų | 106 | 89% | 0.887 | 58% | 0.584 | S | S | * | * | trans | -57.7 | 100.1 | 168 | -68.5 | 179.6 | 178.4 | 179.3 | 0 | 104.5 | K19 G23 | K19-K21 PolarHBondContact O-N 2.74Å; K19-K21 VanDerWaalsContact O-N 3.09Å; K21-G23 PolarHBondContact O-N 2.81Å | ||
| 22 | T | 52.3 | Low | 71.7 | Confident | 139 Ų | 139 | 105.6 Ų | 105.6 | 85% | 0.853 | 58% | 0.582 | S | S | * | * | trans | -52.6 | 107.5 | -179.6 | 38.1 | 0 | 0 | 0 | 0 | 106 | G20 V24 | G20-T22 PolarHBondContact O-N 2.77Å; T22-V24 PolarHBondContact O-N 3.03Å | ||
| 23 | G | 55 | Low | 72.3 | Confident | 62 Ų | 62 | 106 Ų | 106 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | trans | -51.4 | 137.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | K21 I25 | K21-G23 PolarHBondContact O-N 2.81Å; G23-I25 PolarHBondContact O-N 3.41Å | ||
| 24 | V | 61.2 | Low | 73.1 | Confident | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.485 | 58% | 0.578 | S | S | . | * | trans | -37.3 | 116.9 | 174.9 | -176.3 | 0 | 0 | 0 | 0 | 109 | T22 Q28 K29 | T22-V24 PolarHBondContact O-N 3.03Å; V24-Q28 HydrophobicContact CG1-CB 3.85Å; V24-Q28 HydrophobicContact CG1-CG 3.78Å; V24-K29 HydrophobicContact CB-CB 4.5Å; V24-K29 HydrophobicContact CG1-CB 3.78Å | ||
| 25 | I | 66.3 | Low | 74 | Confident | 71 Ų | 71 | 106.6 Ų | 106.6 | 36% | 0.364 | 59% | 0.586 | S | S | . | * | trans | -52.1 | 136.7 | -178.1 | -59.1 | 172.8 | 0 | 0 | 0 | 107.5 | G23 G27 Q28 K29 C53 N54 | G23-I25 PolarHBondContact O-N 3.41Å; I25-G27 PolarHBondContact O-N 3.04Å; I25-Q28 HydrophobicContact CB-CB 4.26Å; I25-Q28 WeakPolarHBondContact O-CA 3.27Å; I25-Q28 WeakPolarHBondContact O-CB 3.34Å; I25-Q28 PolarHBondContact O-N 3.06Å; I25-K29 PolarHBondContact O-N 2.79Å; I25-C53 VanDerWaalsContact CG2-O 3.27Å; I25-C53 WeakPolarHBondContact CG2-O 3.4Å; I25-N54 HydrophobicContact CD1-CB 3.99Å; I25-N54 HydrophobicContact CG2-CB 4.34Å | ||
| 26 | P | 75.4 | Confident | 74.9 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -48.1 | -41.2 | -174.9 | -29.6 | 33.9 | 0 | 0 | 0 | 113.6 | K29 Q30 | P26-K29 PolarHBondContact O-N 3.32Å; P26-Q30 PolarHBondContact O-N 3.06Å; P26-Q30 VanDerWaalsContact O-N 3.13Å |
| 27 | G | 82.1 | Confident | 76 | Confident | 20 Ų | 20 | 100 Ų | 100 | 21% | 0.206 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -65.8 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I25 C31 | I25-G27 PolarHBondContact O-N 3.04Å; G27-C31 VanDerWaalsContact O-CB 3.27Å; G27-C31 WeakPolarHBondContact O-CB 2.73Å; G27-C31 PolarHBondContact O-N 2.02Å |
| 28 | Q | 88.7 | Confident | 77.2 | Confident | 78 Ų | 78 | 95.8 Ų | 95.8 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.3 | -178.6 | 178.7 | -4.6 | 0 | 0 | 111.7 | V24 I25 C31 I32 | V24-Q28 HydrophobicContact CG1-CB 3.85Å; V24-Q28 HydrophobicContact CG1-CG 3.78Å; I25-Q28 HydrophobicContact CB-CB 4.26Å; I25-Q28 WeakPolarHBondContact O-CA 3.27Å; I25-Q28 WeakPolarHBondContact O-CB 3.34Å; I25-Q28 PolarHBondContact O-N 3.06Å; Q28-C31 WeakPolarHBondContact O-CB 3.35Å; Q28-C31 PolarHBondContact O-N 2.72Å; Q28-I32 HydrophobicContact CG-CD1 4.04Å; Q28-I32 VanDerWaalsContact O-CG1 3.29Å; Q28-I32 WeakPolarHBondContact O-CG1 3.01Å; Q28-I32 PolarHBondContact O-N 3.14Å |
| 29 | K | 87.3 | Confident | 78.6 | Confident | 140 Ų | 140 | 95.6 Ų | 95.6 | 61% | 0.609 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 178.3 | -171.5 | 174.7 | 179.9 | 176.4 | 0 | 110.8 | V24 I25 P26 C31 I32 V33 | V24-K29 HydrophobicContact CB-CB 4.5Å; V24-K29 HydrophobicContact CG1-CB 3.78Å; I25-K29 PolarHBondContact O-N 2.79Å; P26-K29 PolarHBondContact O-N 3.32Å; K29-C31 VanDerWaalsContact C-N 3.35Å; K29-I32 PolarHBondContact O-N 3.48Å; K29-V33 WeakPolarHBondContact O-CG2 2.98Å; K29-V33 PolarHBondContact O-N 3.35Å; K29-V33 VanDerWaalsContact O-N 3.14Å |
| 30 | Q | 87.6 | Confident | 79.9 | Confident | 135 Ų | 135 | 90.2 Ų | 90.2 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 177.1 | -170.6 | 154.1 | -27.4 | 0 | 0 | 112 | P26 I32 V33 L34 | P26-Q30 PolarHBondContact O-N 3.06Å; P26-Q30 VanDerWaalsContact O-N 3.13Å; Q30-I32 VanDerWaalsContact C-N 3.35Å; Q30-I32 PolarHBondContact O-N 3.3Å; Q30-V33 PolarHBondContact O-N 3.43Å; Q30-L34 HydrophobicContact CG-CD1 4.37Å; Q30-L34 WeakPolarHBondContact O-CG 3.29Å; Q30-L34 PolarHBondContact O-N 3.32Å; Q30-L34 VanDerWaalsContact O-N 3.13Å |
| 31 | C | 91.3 | Very high | 81.3 | Confident | 3 Ų | 3 | 97.4 Ų | 97.4 | 2% | 0.02 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 175 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | G27 Q28 K29 V33 L34 K35 G36 C53 C59 | G27-C31 VanDerWaalsContact O-CB 3.27Å; G27-C31 WeakPolarHBondContact O-CB 2.73Å; G27-C31 PolarHBondContact O-N 2.02Å; Q28-C31 WeakPolarHBondContact O-CB 3.35Å; Q28-C31 PolarHBondContact O-N 2.72Å; K29-C31 VanDerWaalsContact C-N 3.35Å; C31-V33 PolarHBondContact O-N 3.05Å; C31-L34 CarbonylContact O-C 3.57Å; C31-L34 PolarHBondContact O-N 2.92Å; C31-K35 PolarHBondContact O-N 3.13Å; C31-G36 WeakPolarHBondContact O-CA 3.5Å; C31-G36 PolarHBondContact O-N 3Å; C31-C53 VanDerWaalsContact SG-SG 3.67Å; C31-C59 WeakPolarHBondContact CA-SG 3.35Å; C31-C59 HydrophobicContact CB-CB 3.76Å; C31-C59 WeakPolarHBondContact CB-SG 3.46Å; C31-C59 VanDerWaalsContact SG-CA 3.54Å; C31-C59 WeakPolarHBondContact SG-CB 3.42Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 3.05Å |
| 32 | I | 89.8 | Confident | 82.6 | Confident | 100 Ų | 100 | 88.9 Ų | 88.9 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 179.5 | -67.5 | 164.2 | 0 | 0 | 0 | 111.5 | Q28 K29 Q30 L34 K35 | Q28-I32 HydrophobicContact CG-CD1 4.04Å; Q28-I32 VanDerWaalsContact O-CG1 3.29Å; Q28-I32 WeakPolarHBondContact O-CG1 3.01Å; Q28-I32 PolarHBondContact O-N 3.14Å; K29-I32 PolarHBondContact O-N 3.48Å; Q30-I32 VanDerWaalsContact C-N 3.35Å; Q30-I32 PolarHBondContact O-N 3.3Å; I32-L34 PolarHBondContact O-N 2.99Å; I32-K35 PolarHBondContact O-N 3.34Å |
| 33 | V | 89.6 | Confident | 84.5 | Confident | 108 Ų | 108 | 83.9 Ų | 83.9 | 66% | 0.655 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.2 | -37.3 | 177 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | K29 Q30 C31 K35 | K29-V33 WeakPolarHBondContact O-CG2 2.98Å; K29-V33 PolarHBondContact O-N 3.35Å; K29-V33 VanDerWaalsContact O-N 3.14Å; Q30-V33 PolarHBondContact O-N 3.43Å; C31-V33 PolarHBondContact O-N 3.05Å; V33-K35 PolarHBondContact O-N 3.39Å |
| 34 | L | 87.6 | Confident | 86.2 | Confident | 76 Ų | 76 | 83.3 Ų | 83.3 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 11 | 176.3 | -64.3 | 173.5 | 0 | 0 | 0 | 113.8 | Q30 C31 I32 G36 I50 R61 | Q30-L34 HydrophobicContact CG-CD1 4.37Å; Q30-L34 WeakPolarHBondContact O-CG 3.29Å; Q30-L34 PolarHBondContact O-N 3.32Å; Q30-L34 VanDerWaalsContact O-N 3.13Å; C31-L34 CarbonylContact O-C 3.57Å; C31-L34 PolarHBondContact O-N 2.92Å; I32-L34 PolarHBondContact O-N 2.99Å; L34-G36 PolarHBondContact O-N 2.03Å; L34-I50 HydrophobicContact CB-CD1 3.73Å; L34-I50 HydrophobicContact CD1-CD1 4.09Å; L34-R61 WeakPolarHBondContact O-CD 3.32Å |
| 35 | K | 88.9 | Confident | 87.6 | Confident | 172 Ų | 172 | 85.8 Ų | 85.8 | 75% | 0.748 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.5 | -175.1 | -57.6 | -69 | -173.1 | 173.8 | 0 | 113.1 | C31 I32 V33 | C31-K35 PolarHBondContact O-N 3.13Å; I32-K35 PolarHBondContact O-N 3.34Å; V33-K35 PolarHBondContact O-N 3.39Å |
| 36 | G | 91.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 85.9 Ų | 85.9 | 7% | 0.072 | 46% | 0.456 | C | S | . | . | trans | -93.8 | 168.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | C31 L34 C60 | C31-G36 WeakPolarHBondContact O-CA 3.5Å; C31-G36 PolarHBondContact O-N 3Å; L34-G36 PolarHBondContact O-N 2.03Å; G36-C60 CarbonylContact C-O 3.45Å; G36-C60 WeakPolarHBondContact CA-O 3.25Å | ||
| 37 | V | 92.9 | Very high | 89.6 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.4 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | C60 | V37-C60 PolarHBondContact N-O 2.84Å; V37-C60 PolarHBondContact O-N 3.39Å |
| 38 | C | 92.9 | Very high | 90 | Very high | 34 Ų | 34 | 83.7 Ų | 83.7 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.8 | 176.4 | -59 | 0 | 0 | 0 | 0 | 111.3 | C53 K57 K58 | C38-C53 VanDerWaalsContact CA-SG 3.54Å; C38-C53 HydrophobicContact CB-CB 3.7Å; C38-C53 WeakPolarHBondContact CB-SG 3.29Å; C38-C53 WeakPolarHBondContact SG-CB 3.4Å; C38-C53 CovalentContact SG-SG 2.02Å; C38-C53 PolarHBondContact SG-SG 2.86Å; C38-K57 HydrophobicContact CB-CB 4.39Å; C38-K57 HydrophobicContact CB-CD 4.47Å; C38-K58 CarbonylContact C-O 3.51Å; C38-K58 VanDerWaalsContact CA-O 3.29Å; C38-K58 WeakPolarHBondContact CA-O 2.95Å |
| 39 | R | 93.8 | Very high | 90.2 | Very high | 103 Ų | 103 | 84.2 Ų | 84.2 | 39% | 0.389 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.2 | 177 | -67.2 | -173.8 | -177.5 | -121.8 | 12.9 | 111.8 | G42 D47 K57 K58 | R39-G42 WeakPolarHBondContact CB-O 3.23Å; R39-G42 WeakPolarHBondContact CD-O 3.27Å; R39-D47 IonicContact CZ-OD2 3.54Å; R39-D47 IonicContact NE-OD2 3.51Å; R39-D47 IonicContact NH2-OD2 3Å; R39-D47 PolarHBondContact NH2-OD2 2.85Å; R39-K57 CarbonylContact O-C 3.53Å; R39-K57 VanDerWaalsContact O-CA 3.26Å; R39-K57 WeakPolarHBondContact O-CA 3.45Å; R39-K58 PolarHBondContact N-O 2.76Å; R39-K58 PolarHBondContact O-N 3.25Å |
| 40 | D | 90.4 | Very high | 90.5 | Very high | 98 Ų | 98 | 80.7 Ų | 80.7 | 52% | 0.524 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -27.2 | -175.5 | -59.5 | -82.3 | 0 | 0 | 0 | 115.3 | K57 | D40-K57 WeakPolarHBondContact OD1-CE 3.49Å; D40-K57 WeakPolarHBondContact OD1-CG 3.03Å; D40-K57 IonicContact OD1-NZ 3.81Å |
| 41 | K | 82 | Confident | 90.6 | Very high | 213 Ų | 213 | 75.6 Ų | 75.6 | 93% | 0.926 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 14.5 | -170.9 | -62 | -172.3 | -179.2 | -177.2 | 0 | 114 | ||
| 42 | G | 86.9 | Confident | 90.6 | Very high | 24 Ų | 24 | 78.8 Ų | 78.8 | 25% | 0.247 | 43% | 0.433 | C | S | . | . | trans | 94.1 | -176.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R39 | R39-G42 WeakPolarHBondContact CB-O 3.23Å; R39-G42 WeakPolarHBondContact CD-O 3.27Å | ||
| 43 | C | 92.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 74.2 Ų | 74.2 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | trans | -90.9 | 152.8 | -173.7 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | D47 T49 C60 | C43-D47 HydrophobicContact CB-CB 3.95Å; C43-T49 PolarHBondContact SG-OG1 2.85Å; C43-C60 WeakPolarHBondContact CA-SG 3.34Å; C43-C60 HydrophobicContact CB-CB 3.69Å; C43-C60 WeakPolarHBondContact CB-SG 3.44Å; C43-C60 WeakPolarHBondContact SG-CA 2.96Å; C43-C60 WeakPolarHBondContact SG-CB 3.28Å; C43-C60 CovalentContact SG-SG 2.03Å; C43-C60 PolarHBondContact SG-SG 3.36Å | ||
| 44 | S | 92.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 71.2 Ų | 71.2 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | trans | -68.2 | 165.8 | 174.7 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | L46 D47 | S44-L46 PolarHBondContact O-N 2.02Å; S44-L46 VanDerWaalsContact O-N 3.16Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 2.83Å | ||
| 45 | T | 90.6 | Very high | 90.5 | Very high | 131 Ų | 131 | 77 Ų | 77 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.3 | 176.1 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 46 | L | 90.8 | Very high | 90.5 | Very high | 74 Ų | 74 | 75.8 Ų | 75.8 | 39% | 0.387 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 3.3 | 177.1 | -57.1 | -179.1 | 0 | 0 | 0 | 113.3 | S44 W63 L66 | S44-L46 PolarHBondContact O-N 2.02Å; S44-L46 VanDerWaalsContact O-N 3.16Å; L46-W63 PolarHBondContact O-N 2.96Å; L46-L66 HydrophobicContact CB-CD1 3.76Å; L46-L66 HydrophobicContact CD1-CD1 4.15Å; L46-L66 HydrophobicContact CD2-CD1 4.08Å; L46-L66 HydrophobicContact CG-CD1 4.21Å |
| 47 | D | 92.8 | Very high | 90.5 | Very high | 16 Ų | 16 | 78.9 Ų | 78.9 | 9% | 0.086 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.1 | -177.8 | -62 | -29.7 | 0 | 0 | 0 | 109.6 | R39 C43 S44 C60 R61 R62 | R39-D47 IonicContact CZ-OD2 3.54Å; R39-D47 IonicContact NE-OD2 3.51Å; R39-D47 IonicContact NH2-OD2 3Å; R39-D47 PolarHBondContact NH2-OD2 2.85Å; C43-D47 HydrophobicContact CB-CB 3.95Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 2.83Å; D47-C60 HydrophobicContact CB-CB 4.16Å; D47-R61 CarbonylContact C-O 3.43Å; D47-R61 VanDerWaalsContact CA-O 3.28Å; D47-R61 WeakPolarHBondContact CA-O 3.41Å; D47-R62 WeakPolarHBondContact OD1-CD 3.46Å; D47-R62 IonicContact OD1-NH1 3.8Å |
| 48 | D | 90.6 | Very high | 90.6 | Very high | 65 Ų | 65 | 78.2 Ų | 78.2 | 35% | 0.348 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 141.4 | 169.7 | -76 | -43.5 | 0 | 0 | 0 | 111.2 | I50 C60 R61 W63 | D48-I50 HydrophobicContact CB-CG2 4.25Å; D48-I50 PolarHBondContact O-N 3.35Å; D48-C60 CarbonylContact O-C 3.56Å; D48-C60 VanDerWaalsContact O-CA 3.32Å; D48-C60 WeakPolarHBondContact O-CA 3.22Å; D48-R61 PolarHBondContact N-O 2.78Å; D48-R61 PolarHBondContact O-N 3.16Å; D48-W63 VanDerWaalsContact OD1-CD1 3.26Å; D48-W63 PolarHBondContact OD1-NE1 2.98Å; D48-W63 PolarHBondContact OD2-NE1 3.45Å |
| 49 | T | 93.1 | Very high | 90.6 | Very high | 89 Ų | 89 | 76.8 Ų | 76.8 | 55% | 0.546 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 107.4 | 167.6 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | C43 K58 | C43-T49 PolarHBondContact SG-OG1 2.85Å; T49-K58 HydrophobicContact CG2-CB 4.39Å |
| 50 | I | 92.2 | Very high | 90.6 | Very high | 66 Ų | 66 | 72 Ų | 72 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -10.2 | -178 | 59.4 | 163.2 | 0 | 0 | 0 | 113.1 | L34 D48 C59 R61 | L34-I50 HydrophobicContact CB-CD1 3.73Å; L34-I50 HydrophobicContact CD1-CD1 4.09Å; D48-I50 HydrophobicContact CB-CG2 4.25Å; D48-I50 PolarHBondContact O-N 3.35Å; I50-C59 VanDerWaalsContact CD1-SG 3.51Å; I50-C59 HydrophobicContact CG1-CB 4.12Å; I50-C59 WeakPolarHBondContact CG1-O 2.94Å; I50-C59 WeakPolarHBondContact CG1-SG 3.32Å; I50-C59 PolarHBondContact N-O 2.96Å; I50-R61 HydrophobicContact CD1-CB 3.86Å; I50-R61 HydrophobicContact CG1-CB 4.22Å; I50-R61 HydrophobicContact CG2-CB 4.01Å |
| 51 | G | 90.5 | Very high | 90.7 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | -161.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C59 | G51-C59 PolarHBondContact N-O 3.46Å; G51-C59 PolarHBondContact O-N 2.89Å |
| 52 | T | 91.2 | Very high | 91.2 | Very high | 70 Ų | 70 | 67.9 Ų | 67.9 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.2 | -177.9 | -55.5 | 0 | 0 | 0 | 0 | 109.1 | N54 K57 K58 | T52-N54 WeakPolarHBondContact CG2-O 3.26Å; T52-K57 WeakPolarHBondContact CG2-O 3.17Å; T52-K58 HydrophobicContact CG2-CD 4.32Å; T52-K58 PolarHBondContact OG1-NZ 3.3Å |
| 53 | C | 90.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.034 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -87.5 | -39.3 | -179.4 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | I25 C31 C38 K57 | I25-C53 VanDerWaalsContact CG2-O 3.27Å; I25-C53 WeakPolarHBondContact CG2-O 3.4Å; C31-C53 VanDerWaalsContact SG-SG 3.67Å; C38-C53 VanDerWaalsContact CA-SG 3.54Å; C38-C53 HydrophobicContact CB-CB 3.7Å; C38-C53 WeakPolarHBondContact CB-SG 3.29Å; C38-C53 WeakPolarHBondContact SG-CB 3.4Å; C38-C53 CovalentContact SG-SG 2.02Å; C38-C53 PolarHBondContact SG-SG 2.86Å; C53-K57 HydrophobicContact CB-CB 3.97Å; C53-K57 PolarHBondContact N-O 2.98Å |
| 54 | N | 87.8 | Confident | 90.7 | Very high | 45 Ų | 45 | 77.9 Ų | 77.9 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -157.3 | -176.4 | 170 | 67.9 | 14.4 | 0 | 0 | 0 | 108.3 | I25 T52 E56 K57 | I25-N54 HydrophobicContact CD1-CB 3.99Å; I25-N54 HydrophobicContact CG2-CB 4.34Å; T52-N54 WeakPolarHBondContact CG2-O 3.26Å; N54-E56 PolarHBondContact O-N 3.23Å; N54-E56 PolarHBondContact OD1-N 3.42Å; N54-K57 PolarHBondContact N-O 3.15Å; N54-K57 PolarHBondContact O-N 3.2Å; N54-K57 VanDerWaalsContact OD1-CB 3.25Å; N54-K57 WeakPolarHBondContact OD1-CB 3.39Å; N54-K57 WeakPolarHBondContact OD1-CG 3.03Å; N54-K57 PolarHBondContact OD1-N 3.13Å |
| 55 | E | 86.9 | Confident | 90.1 | Very high | 198 Ų | 198 | 80.3 Ų | 80.3 | 93% | 0.925 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -54.8 | -29.7 | -176.3 | -64.2 | -176.9 | 176.6 | 0 | 0 | 113.9 | ||
| 56 | E | 89.1 | Confident | 89.7 | Confident | 146 Ų | 146 | 78.3 Ų | 78.3 | 68% | 0.682 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -99.2 | -32.4 | -176.8 | -60.4 | 176.7 | 168.2 | 0 | 0 | 112.9 | N54 | N54-E56 PolarHBondContact O-N 3.23Å; N54-E56 PolarHBondContact OD1-N 3.42Å |
| 57 | K | 91.6 | Very high | 89 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 130.2 | -170.1 | -67.1 | 174.7 | 174.4 | 173.3 | 0 | 112.1 | C38 R39 D40 T52 C53 N54 | C38-K57 HydrophobicContact CB-CB 4.39Å; C38-K57 HydrophobicContact CB-CD 4.47Å; R39-K57 CarbonylContact O-C 3.53Å; R39-K57 VanDerWaalsContact O-CA 3.26Å; R39-K57 WeakPolarHBondContact O-CA 3.45Å; D40-K57 WeakPolarHBondContact OD1-CE 3.49Å; D40-K57 WeakPolarHBondContact OD1-CG 3.03Å; D40-K57 IonicContact OD1-NZ 3.81Å; T52-K57 WeakPolarHBondContact CG2-O 3.17Å; C53-K57 HydrophobicContact CB-CB 3.97Å; C53-K57 PolarHBondContact N-O 2.98Å; N54-K57 PolarHBondContact N-O 3.15Å; N54-K57 PolarHBondContact O-N 3.2Å; N54-K57 VanDerWaalsContact OD1-CB 3.25Å; N54-K57 WeakPolarHBondContact OD1-CB 3.39Å; N54-K57 WeakPolarHBondContact OD1-CG 3.03Å; N54-K57 PolarHBondContact OD1-N 3.13Å |
| 58 | K | 93.7 | Very high | 87.7 | Confident | 80 Ų | 80 | 85 Ų | 85 | 35% | 0.348 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 148.7 | 171.8 | -61.1 | -64 | 176.1 | -177 | 0 | 111.4 | C38 R39 T49 T52 | C38-K58 CarbonylContact C-O 3.51Å; C38-K58 VanDerWaalsContact CA-O 3.29Å; C38-K58 WeakPolarHBondContact CA-O 2.95Å; R39-K58 PolarHBondContact N-O 2.76Å; R39-K58 PolarHBondContact O-N 3.25Å; T49-K58 HydrophobicContact CG2-CB 4.39Å; T52-K58 HydrophobicContact CG2-CD 4.32Å; T52-K58 PolarHBondContact OG1-NZ 3.3Å |
| 59 | C | 94.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 89.2 Ų | 89.2 | 3% | 0.027 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.3 | 172.8 | -178 | 0 | 0 | 0 | 0 | 109.6 | C31 I50 G51 | C31-C59 WeakPolarHBondContact CA-SG 3.35Å; C31-C59 HydrophobicContact CB-CB 3.76Å; C31-C59 WeakPolarHBondContact CB-SG 3.46Å; C31-C59 VanDerWaalsContact SG-CA 3.54Å; C31-C59 WeakPolarHBondContact SG-CB 3.42Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 3.05Å; I50-C59 VanDerWaalsContact CD1-SG 3.51Å; I50-C59 HydrophobicContact CG1-CB 4.12Å; I50-C59 WeakPolarHBondContact CG1-O 2.94Å; I50-C59 WeakPolarHBondContact CG1-SG 3.32Å; I50-C59 PolarHBondContact N-O 2.96Å; G51-C59 PolarHBondContact N-O 3.46Å; G51-C59 PolarHBondContact O-N 2.89Å |
| 60 | C | 94.5 | Very high | 85.3 | Confident | 3 Ų | 3 | 90.8 Ų | 90.8 | 2% | 0.02 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.8 | -173.7 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | G36 V37 C43 D47 D48 | G36-C60 CarbonylContact C-O 3.45Å; G36-C60 WeakPolarHBondContact CA-O 3.25Å; V37-C60 PolarHBondContact N-O 2.84Å; V37-C60 PolarHBondContact O-N 3.39Å; C43-C60 WeakPolarHBondContact CA-SG 3.34Å; C43-C60 HydrophobicContact CB-CB 3.69Å; C43-C60 WeakPolarHBondContact CB-SG 3.44Å; C43-C60 WeakPolarHBondContact SG-CA 2.96Å; C43-C60 WeakPolarHBondContact SG-CB 3.28Å; C43-C60 CovalentContact SG-SG 2.03Å; C43-C60 PolarHBondContact SG-SG 3.36Å; D47-C60 HydrophobicContact CB-CB 4.16Å; D48-C60 CarbonylContact O-C 3.56Å; D48-C60 VanDerWaalsContact O-CA 3.32Å; D48-C60 WeakPolarHBondContact O-CA 3.22Å |
| 61 | R | 92.2 | Very high | 84.3 | Confident | 106 Ų | 106 | 92 Ų | 92 | 40% | 0.4 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.4 | 175.9 | -176.7 | 179.8 | 174.5 | 178.8 | -3.7 | 109.5 | L34 D47 D48 I50 W63 | L34-R61 WeakPolarHBondContact O-CD 3.32Å; D47-R61 CarbonylContact C-O 3.43Å; D47-R61 VanDerWaalsContact CA-O 3.28Å; D47-R61 WeakPolarHBondContact CA-O 3.41Å; D48-R61 PolarHBondContact N-O 2.78Å; D48-R61 PolarHBondContact O-N 3.16Å; I50-R61 HydrophobicContact CD1-CB 3.86Å; I50-R61 HydrophobicContact CG1-CB 4.22Å; I50-R61 HydrophobicContact CG2-CB 4.01Å; R61-W63 PolarHBondContact O-N 3.11Å |
| 62 | R | 91 | Very high | 83.2 | Confident | 118 Ų | 118 | 96.2 Ų | 96.2 | 45% | 0.445 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 138 | 175.2 | -156.1 | 73.6 | 165 | -172.9 | 0.2 | 109.9 | D47 W64 L66 | D47-R62 WeakPolarHBondContact OD1-CD 3.46Å; D47-R62 IonicContact OD1-NH1 3.8Å; R62-W64 PolarHBondContact O-N 3.18Å; R62-L66 HydrophobicContact CG-CB 4.42Å |
| 63 | W | 88.3 | Confident | 82.4 | Confident | 106 Ų | 106 | 98.8 Ų | 98.8 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | trans | -50.2 | 131.3 | 174.5 | -94.8 | 17.1 | 0 | 0 | 0 | 111.4 | L46 D48 R61 I65 L66 E67 | L46-W63 PolarHBondContact O-N 2.96Å; D48-W63 VanDerWaalsContact OD1-CD1 3.26Å; D48-W63 PolarHBondContact OD1-NE1 2.98Å; D48-W63 PolarHBondContact OD2-NE1 3.45Å; R61-W63 PolarHBondContact O-N 3.11Å; W63-I65 HydrophobicContact CE3-CD1 4.26Å; W63-I65 HydrophobicContact CZ3-CD1 4.48Å; W63-I65 PolarHBondContact O-N 2.7Å; W63-I65 VanDerWaalsContact O-N 3.11Å; W63-L66 HydrophobicContact CB-CD1 4.23Å; W63-L66 HydrophobicContact CB-CG 4.19Å; W63-L66 PolarHBondContact O-N 3.32Å; W63-E67 PolarHBondContact O-N 2.73Å | ||
| 64 | W | 80.6 | Confident | 81.6 | Confident | 162 Ų | 162 | 104.2 Ų | 104.2 | 61% | 0.614 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.1 | 178.8 | 67.5 | -88.7 | 0 | 0 | 0 | 112.5 | R62 L66 E67 P68 | R62-W64 PolarHBondContact O-N 3.18Å; W64-L66 VanDerWaalsContact C-N 3.34Å; W64-E67 CarbonylContact O-C 3.19Å; W64-P68 WeakPolarHBondContact O-CA 3.1Å |
| 65 | I | 81.1 | Confident | 80.7 | Confident | 102 Ų | 102 | 111.9 Ų | 111.9 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -35.3 | 174.9 | -60.7 | 170.7 | 0 | 0 | 0 | 111.1 | W63 | W63-I65 HydrophobicContact CE3-CD1 4.26Å; W63-I65 HydrophobicContact CZ3-CD1 4.48Å; W63-I65 PolarHBondContact O-N 2.7Å; W63-I65 VanDerWaalsContact O-N 3.11Å |
| 66 | L | 81.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 105.5 Ų | 105.5 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -26.7 | 179.3 | -59.8 | 176.4 | 0 | 0 | 0 | 112.1 | L46 R62 W63 W64 | L46-L66 HydrophobicContact CB-CD1 3.76Å; L46-L66 HydrophobicContact CD1-CD1 4.15Å; L46-L66 HydrophobicContact CD2-CD1 4.08Å; L46-L66 HydrophobicContact CG-CD1 4.21Å; R62-L66 HydrophobicContact CG-CB 4.42Å; W63-L66 HydrophobicContact CB-CD1 4.23Å; W63-L66 HydrophobicContact CB-CG 4.19Å; W63-L66 PolarHBondContact O-N 3.32Å; W64-L66 VanDerWaalsContact C-N 3.34Å |
| 67 | E | 74.9 | Confident | 78.5 | Confident | 142 Ų | 142 | 108.4 Ų | 108.4 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -134.3 | 70.1 | 178.7 | -160.4 | 141.8 | -125.3 | 0 | 0 | 110 | W63 W64 Y69 | W63-E67 PolarHBondContact O-N 2.73Å; W64-E67 CarbonylContact O-C 3.19Å; E67-Y69 PolarHBondContact O-N 2.8Å |
| 68 | P | 66.8 | Low | 77.3 | Confident | 88 Ų | 88 | 110.1 Ų | 110.1 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | trans | -63.1 | 131.7 | -178.8 | 23.7 | -31.4 | 0 | 0 | 0 | 109.3 | W64 | W64-P68 WeakPolarHBondContact O-CA 3.1Š| ||
| 69 | Y | 65.4 | Low | 76 | Confident | 154 Ų | 154 | 115.5 Ų | 115.5 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | trans | -64.9 | 143 | 167.3 | 73.7 | -85.1 | 0 | 0 | 0 | 107.9 | E67 T71 | E67-Y69 PolarHBondContact O-N 2.8Å; Y69-T71 VanDerWaalsContact C-N 3.34Å; Y69-T71 HydrophobicContact CD2-CG2 4.46Å; Y69-T71 HydrophobicContact CE1-CG2 4.47Å; Y69-T71 HydrophobicContact CE2-CG2 3.58Å; Y69-T71 PolarHBondContact O-N 3.36Å; Y69-T71 WeakPolarHBondContact OH-CG2 3.41Å | ||
| 70 | P | 68.1 | Low | 75.1 | Confident | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 64% | 0.64 | S | S | * | * | trans | -62.4 | 100.8 | 174.7 | 24.1 | -31.1 | 0 | 0 | 0 | 108 | ||||
| 71 | T | 69.8 | Low | 74.1 | Confident | 93 Ų | 93 | 127.3 Ų | 127.3 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.1 | 165.4 | 19.6 | 0 | 0 | 0 | 0 | 106.3 | Y69 V73 | Y69-T71 VanDerWaalsContact C-N 3.34Å; Y69-T71 HydrophobicContact CD2-CG2 4.46Å; Y69-T71 HydrophobicContact CE1-CG2 4.47Å; Y69-T71 HydrophobicContact CE2-CG2 3.58Å; Y69-T71 PolarHBondContact O-N 3.36Å; Y69-T71 WeakPolarHBondContact OH-CG2 3.41Å; T71-V73 PolarHBondContact O-N 3.12Å; T71-V73 VanDerWaalsContact O-N 3.12Å |
| 72 | P | 68.8 | Low | 73.1 | Confident | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 126.8 | 177.6 | -12.5 | 18.8 | 0 | 0 | 0 | 108.2 | P74 | P72-P74 VanDerWaalsContact O-N 3.16Š|
| 73 | V | 73.8 | Confident | 72 | Confident | 125 Ų | 125 | 129.1 Ų | 129.1 | 76% | 0.758 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 126.5 | 174.5 | -176 | 0 | 0 | 0 | 0 | 106.5 | T71 K75 | T71-V73 PolarHBondContact O-N 3.12Å; T71-V73 VanDerWaalsContact O-N 3.12Å; V73-K75 PolarHBondContact O-N 2.89Å |
| 74 | P | 73.2 | Confident | 71 | Confident | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -52.4 | 114.7 | 174.7 | -23.1 | 32.4 | 0 | 0 | 0 | 107 | P72 G76 | P72-P74 VanDerWaalsContact O-N 3.16Å; P74-G76 PolarHBondContact O-N 2.77Å | ||
| 75 | K | 68.7 | Low | 70.4 | Confident | 207 Ų | 207 | 128.4 Ų | 128.4 | 90% | 0.9 | 73% | 0.728 | S | S | * | * | trans | -66.5 | 92.8 | 168 | -67.3 | -165.1 | -178.6 | -169.9 | 0 | 104.3 | V73 K77 | V73-K75 PolarHBondContact O-N 2.89Å; K75-K77 PolarHBondContact O-N 2.83Å | ||
| 76 | G | 69.8 | Low | 69.6 | Low | 63 Ų | 63 | 130.3 Ų | 130.3 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | trans | -48 | 128.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | P74 S78 | P74-G76 PolarHBondContact O-N 2.77Å; G76-S78 VanDerWaalsContact C-N 3.33Å; G76-S78 PolarHBondContact O-N 3.18Å | ||
| 77 | K | 61.2 | Low | 68.7 | Low | 208 Ų | 208 | 133.4 Ų | 133.4 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -49.6 | 110.8 | 165.8 | -97.8 | 176.9 | 173.8 | 179.4 | 0 | 104.9 | K75 | K75-K77 PolarHBondContact O-N 2.83Š| ||
| 78 | S | 65.2 | Low | 68.2 | Low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -51.1 | 134.2 | 172.9 | -170.7 | 0 | 0 | 0 | 0 | 106.7 | G76 | G76-S78 VanDerWaalsContact C-N 3.33Å; G76-S78 PolarHBondContact O-N 3.18Å | ||
| 79 | P | 67.6 | Low | 68.3 | Low | 192 Ų | 192 | 136.7 Ų | 136.7 | 100% | 1.247 | 79% | 0.79 | S | S | * | * | trans | -56.8 | 0 | 179.3 | 24.3 | -33 | 0 | 0 | 0 | 111.8 |
Retrieved 79 of 79 residues in 322.4 ms
(Link to these results)