| 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 | 47.5 | Very low | 52.1 | Low | 217 Ų | 217 | 115.1 Ų | 115.1 | 100% | 1.069 | 64% | 0.636 | S | S | * | * | 0 | 11.8 | 0 | -79.3 | 165.3 | 65.6 | 0 | 0 | 114.1 | |||||
| 2 | N | 54.7 | Low | 51.7 | Low | 140 Ų | 140 | 112.6 Ų | 112.6 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | trans | -99.4 | -15 | -169.2 | -79.6 | 8.4 | 0 | 0 | 0 | 116.8 | ||||
| 3 | T | 52.1 | Low | 51.2 | Low | 108 Ų | 108 | 111.3 Ų | 111.3 | 66% | 0.663 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.2 | -36.7 | -173.9 | 42.5 | 0 | 0 | 0 | 0 | 113.6 | L5 F6 L7 | T3-L5 VanDerWaalsContact C-N 3.34Å; T3-L5 PolarHBondContact O-N 3.27Å; T3-F6 PolarHBondContact O-N 3.49Å; T3-L7 PolarHBondContact O-N 3.43Å |
| 4 | V | 55.9 | Low | 50.8 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.4 | -36.7 | -176.6 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | F6 S8 | V4-F6 VanDerWaalsContact C-N 3.33Å; V4-F6 PolarHBondContact O-N 3.19Å; V4-S8 PolarHBondContact O-N 3.32Å |
| 5 | L | 54.8 | Low | 50 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 61% | 0.613 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.7 | -35.5 | 174.7 | -91.5 | 150.5 | 0 | 0 | 0 | 112.5 | T3 S8 V9 | T3-L5 VanDerWaalsContact C-N 3.34Å; T3-L5 PolarHBondContact O-N 3.27Å; L5-S8 PolarHBondContact O-OG 3.46Å; L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 3.13Å |
| 6 | F | 52.3 | Low | 49.1 | Very low | 156 Ų | 156 | 107.1 Ų | 107.1 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.6 | -40.4 | -179.1 | -144.7 | -90.7 | 0 | 0 | 0 | 111.6 | T3 V4 V9 V10 | T3-F6 PolarHBondContact O-N 3.49Å; V4-F6 VanDerWaalsContact C-N 3.33Å; V4-F6 PolarHBondContact O-N 3.19Å; F6-V9 PolarHBondContact O-N 3.29Å; F6-V10 HydrophobicContact CD1-CG2 4.24Å; F6-V10 HydrophobicContact CE1-CG2 4.4Å; F6-V10 WeakPolarHBondContact O-CG2 3.31Å; F6-V10 PolarHBondContact O-N 3.01Å; F6-V10 VanDerWaalsContact O-N 3.13Å |
| 7 | L | 50.5 | Low | 48.5 | Very low | 129 Ų | 129 | 110.1 Ų | 110.1 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.6 | -37.8 | 175.7 | -90.5 | 120.2 | 0 | 0 | 0 | 112.7 | T3 V10 S11 | T3-L7 PolarHBondContact O-N 3.43Å; L7-V10 PolarHBondContact O-N 3.42Å; L7-S11 WeakPolarHBondContact O-CB 3.36Å; L7-S11 PolarHBondContact O-N 2.9Å |
| 8 | S | 53.9 | Low | 47.8 | Very low | 63 Ų | 63 | 109.8 Ų | 109.8 | 44% | 0.441 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.5 | -38.9 | 179 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | V4 L5 S11 C12 | V4-S8 PolarHBondContact O-N 3.32Å; L5-S8 PolarHBondContact O-OG 3.46Å; S8-S11 PolarHBondContact O-N 3.45Å; S8-C12 WeakPolarHBondContact O-CB 3.23Å; S8-C12 PolarHBondContact O-N 3.36Å |
| 9 | V | 54.4 | Low | 47.2 | Very low | 82 Ų | 82 | 110.8 Ų | 110.8 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.6 | -42.7 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L5 F6 C12 L13 | L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 3.13Å; F6-V9 PolarHBondContact O-N 3.29Å; V9-C12 PolarHBondContact O-N 2.89Å; V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 PolarHBondContact O-N 2.84Å |
| 10 | V | 52.6 | Low | 46.6 | Very low | 67 Ų | 67 | 109.8 Ų | 109.8 | 41% | 0.406 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.9 | -41.9 | 176.7 | 176 | 0 | 0 | 0 | 0 | 111.2 | F6 L7 L13 I14 | F6-V10 HydrophobicContact CD1-CG2 4.24Å; F6-V10 HydrophobicContact CE1-CG2 4.4Å; F6-V10 WeakPolarHBondContact O-CG2 3.31Å; F6-V10 PolarHBondContact O-N 3.01Å; F6-V10 VanDerWaalsContact O-N 3.13Å; L7-V10 PolarHBondContact O-N 3.42Å; V10-L13 PolarHBondContact O-N 3.44Å; V10-I14 HydrophobicContact CG1-CD1 3.88Å; V10-I14 WeakPolarHBondContact O-CD1 3.48Å; V10-I14 VanDerWaalsContact O-CG1 3.23Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 3.23Å |
| 11 | S | 44.9 | Very low | 45.9 | Very low | 74 Ų | 74 | 109.2 Ų | 109.2 | 52% | 0.517 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 174.6 | -115 | 0 | 0 | 0 | 0 | 112.4 | L7 S8 I14 C15 | L7-S11 WeakPolarHBondContact O-CB 3.36Å; L7-S11 PolarHBondContact O-N 2.9Å; S8-S11 PolarHBondContact O-N 3.45Å; S11-I14 PolarHBondContact O-N 2.93Å; S11-C15 PolarHBondContact O-N 2.95Å; S11-C15 PolarHBondContact O-SG 3.33Å; S11-C15 VanDerWaalsContact O-SG 3.35Å |
| 12 | C | 47.4 | Very low | 45.3 | Very low | 85 Ų | 85 | 104.7 Ų | 104.7 | 57% | 0.574 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.6 | -38.8 | 175 | -102.4 | 0 | 0 | 0 | 0 | 112.6 | S8 V9 I14 C15 S16 | S8-C12 WeakPolarHBondContact O-CB 3.23Å; S8-C12 PolarHBondContact O-N 3.36Å; V9-C12 PolarHBondContact O-N 2.89Å; C12-I14 VanDerWaalsContact C-N 3.35Å; C12-C15 PolarHBondContact O-N 2.7Å; C12-S16 WeakPolarHBondContact O-CB 3.39Å; C12-S16 PolarHBondContact O-N 3.36Å; C12-S16 PolarHBondContact O-OG 3.22Å |
| 13 | L | 44.5 | Very low | 44.2 | Very low | 96 Ų | 96 | 107.1 Ų | 107.1 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.3 | -40.5 | 174.2 | -86.9 | 159.2 | 0 | 0 | 0 | 111.3 | V9 V10 S16 M17 | V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 PolarHBondContact O-N 2.84Å; V10-L13 PolarHBondContact O-N 3.44Å; L13-S16 PolarHBondContact O-N 3.35Å; L13-M17 WeakPolarHBondContact O-CG 3.48Å; L13-M17 PolarHBondContact O-N 3.28Å |
| 14 | I | 46.3 | Very low | 43.1 | Very low | 106 Ų | 106 | 103.7 Ų | 103.7 | 54% | 0.544 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 175.2 | -64.4 | 162.5 | 0 | 0 | 0 | 110.2 | V10 S11 C12 S16 M17 V18 | V10-I14 HydrophobicContact CG1-CD1 3.88Å; V10-I14 WeakPolarHBondContact O-CD1 3.48Å; V10-I14 VanDerWaalsContact O-CG1 3.23Å; V10-I14 WeakPolarHBondContact O-CG1 3.47Å; V10-I14 PolarHBondContact O-N 3.23Å; S11-I14 PolarHBondContact O-N 2.93Å; C12-I14 VanDerWaalsContact C-N 3.35Å; I14-S16 VanDerWaalsContact C-N 3.33Å; I14-S16 PolarHBondContact O-N 2.91Å; I14-M17 PolarHBondContact O-N 2.94Å; I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.49Å |
| 15 | C | 37.8 | Very low | 42 | Very low | 87 Ų | 87 | 104.2 Ų | 104.2 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.9 | -31.5 | 176.9 | -69.3 | 0 | 0 | 0 | 0 | 113.2 | S11 C12 V18 | S11-C15 PolarHBondContact O-N 2.95Å; S11-C15 PolarHBondContact O-SG 3.33Å; S11-C15 VanDerWaalsContact O-SG 3.35Å; C12-C15 PolarHBondContact O-N 2.7Å; C15-V18 CarbonylContact O-C 3.53Å; C15-V18 WeakPolarHBondContact O-CA 3.27Å; C15-V18 WeakPolarHBondContact O-CB 3.33Å; C15-V18 PolarHBondContact O-N 3.35Å |
| 16 | S | 36.3 | Very low | 40.7 | Very low | 74 Ų | 74 | 101 Ų | 101 | 52% | 0.517 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -79.6 | -21.4 | 176.7 | -51.1 | 0 | 0 | 0 | 0 | 112.6 | C12 L13 I14 V18 I19 | C12-S16 WeakPolarHBondContact O-CB 3.39Å; C12-S16 PolarHBondContact O-N 3.36Å; C12-S16 PolarHBondContact O-OG 3.22Å; L13-S16 PolarHBondContact O-N 3.35Å; I14-S16 VanDerWaalsContact C-N 3.33Å; I14-S16 PolarHBondContact O-N 2.91Å; S16-V18 VanDerWaalsContact C-N 3.25Å; S16-I19 WeakPolarHBondContact O-CD1 3.29Å; S16-I19 VanDerWaalsContact O-CG1 3.27Å; S16-I19 WeakPolarHBondContact O-CG1 2.92Å; S16-I19 PolarHBondContact O-N 3.32Å |
| 17 | M | 38.1 | Very low | 39.8 | Very low | 157 Ų | 157 | 100 Ų | 100 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.2 | -13 | 166.1 | -70.5 | -166.4 | -163.8 | 0 | 0 | 112.3 | L13 I14 I19 | L13-M17 WeakPolarHBondContact O-CG 3.48Å; L13-M17 PolarHBondContact O-N 3.28Å; I14-M17 PolarHBondContact O-N 2.94Å; M17-I19 PolarHBondContact O-N 2.94Å; M17-I19 VanDerWaalsContact O-N 3.16Å |
| 18 | V | 37.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 105.3 Ų | 105.3 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | trans | -82 | 49.5 | 157.2 | -162.6 | 0 | 0 | 0 | 0 | 109 | I14 C15 S16 P20 | I14-V18 WeakPolarHBondContact O-CG2 3.45Å; I14-V18 PolarHBondContact O-N 3.49Å; C15-V18 CarbonylContact O-C 3.53Å; C15-V18 WeakPolarHBondContact O-CA 3.27Å; C15-V18 WeakPolarHBondContact O-CB 3.33Å; C15-V18 PolarHBondContact O-N 3.35Å; S16-V18 VanDerWaalsContact C-N 3.25Å; V18-P20 VanDerWaalsContact O-CD 3.29Å; V18-P20 WeakPolarHBondContact O-CD 3.39Å | ||
| 19 | I | 36.6 | Very low | 38.1 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 67% | 0.667 | 59% | 0.587 | S | S | * | * | trans | -72.1 | 113 | 150.8 | -73.4 | 160.1 | 0 | 0 | 0 | 104 | S16 M17 N21 | S16-I19 WeakPolarHBondContact O-CD1 3.29Å; S16-I19 VanDerWaalsContact O-CG1 3.27Å; S16-I19 WeakPolarHBondContact O-CG1 2.92Å; S16-I19 PolarHBondContact O-N 3.32Å; M17-I19 PolarHBondContact O-N 2.94Å; M17-I19 VanDerWaalsContact O-N 3.16Å; I19-N21 PolarHBondContact O-N 2.81Å | ||
| 20 | P | 34.5 | Very low | 37.1 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 58% | 0.584 | 60% | 0.599 | S | S | * | * | trans | -63.9 | 104.3 | -174.5 | 28.2 | -32.7 | 0 | 0 | 0 | 106.4 | V18 V22 | V18-P20 VanDerWaalsContact O-CD 3.29Å; V18-P20 WeakPolarHBondContact O-CD 3.39Å; P20-V22 HydrophobicContact CB-CG2 3.8Å; P20-V22 PolarHBondContact O-N 3.16Å | ||
| 21 | N | 32 | Very low | 36.3 | Very low | 98 Ų | 98 | 109 Ų | 109 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | 49.1 | -179.5 | -148.7 | -2.2 | 0 | 0 | 0 | 110.4 | I19 E23 G24 Y25 | I19-N21 PolarHBondContact O-N 2.81Å; N21-E23 VanDerWaalsContact C-N 3.25Å; N21-G24 WeakPolarHBondContact OD1-CA 3.5Å; N21-G24 PolarHBondContact OD1-N 3.22Å; N21-Y25 HydrophobicContact CB-CD2 4.27Å |
| 22 | V | 34.2 | Very low | 36 | Very low | 122 Ų | 122 | 112 Ų | 112 | 74% | 0.739 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -12.3 | 175.2 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | P20 | P20-V22 HydrophobicContact CB-CG2 3.8Å; P20-V22 PolarHBondContact O-N 3.16Å |
| 23 | E | 31.8 | Very low | 35.6 | Very low | 190 Ų | 190 | 115.3 Ų | 115.3 | 89% | 0.888 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -21.7 | 176.4 | -77.1 | -174.4 | 142.1 | 0 | 0 | 114.9 | N21 | N21-E23 VanDerWaalsContact C-N 3.25Š|
| 24 | G | 29.1 | Very low | 35.8 | Very low | 37 Ų | 37 | 118.8 Ų | 118.8 | 38% | 0.381 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | -26.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N21 G26 | N21-G24 WeakPolarHBondContact OD1-CA 3.5Å; N21-G24 PolarHBondContact OD1-N 3.22Å; G24-G26 VanDerWaalsContact C-N 3.29Å |
| 25 | Y | 31.9 | Very low | 35.8 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 48% | 0.482 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -91.2 | 9.5 | 173.5 | -76.6 | -94.3 | 0 | 0 | 0 | 112.8 | N21 Y27 | N21-Y25 HydrophobicContact CB-CD2 4.27Å; Y25-Y27 AromaticContact CD1-CD2 3.89Å; Y25-Y27 HydrophobicContact CD1-CD2 3.89Å; Y25-Y27 AromaticContact CD1-CE2 3.18Å; Y25-Y27 HydrophobicContact CD1-CE2 3.18Å; Y25-Y27 AromaticContact CE1-CE2 3.49Å; Y25-Y27 HydrophobicContact CE1-CE2 3.49Å; Y25-Y27 VanDerWaalsContact CE1-CE2 3.49Å; Y25-Y27 HydrophobicContact CG-CD2 4.49Å; Y25-Y27 AromaticContact CG-CE2 3.96Å; Y25-Y27 HydrophobicContact CG-CE2 3.96Å; Y25-Y27 PolarHBondContact O-N 2.87Å |
| 26 | G | 28.5 | Very low | 36.2 | Very low | 49 Ų | 49 | 117.9 Ų | 117.9 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | trans | -68.2 | 60.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G24 W28 | G24-G26 VanDerWaalsContact C-N 3.29Å; G26-W28 VanDerWaalsContact C-N 3.26Å; G26-W28 PolarHBondContact O-N 3.33Å | ||
| 27 | Y | 34.4 | Very low | 36.8 | Very low | 137 Ų | 137 | 118.9 Ų | 118.9 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | trans | -61.7 | 97.6 | 169 | -71.3 | -69.8 | 0 | 0 | 0 | 106.9 | Y25 F29 | Y25-Y27 AromaticContact CD1-CD2 3.89Å; Y25-Y27 HydrophobicContact CD1-CD2 3.89Å; Y25-Y27 AromaticContact CD1-CE2 3.18Å; Y25-Y27 HydrophobicContact CD1-CE2 3.18Å; Y25-Y27 AromaticContact CE1-CE2 3.49Å; Y25-Y27 HydrophobicContact CE1-CE2 3.49Å; Y25-Y27 VanDerWaalsContact CE1-CE2 3.49Å; Y25-Y27 HydrophobicContact CG-CD2 4.49Å; Y25-Y27 AromaticContact CG-CE2 3.96Å; Y25-Y27 HydrophobicContact CG-CE2 3.96Å; Y25-Y27 PolarHBondContact O-N 2.87Å; Y27-F29 WeakPolarHBondContact O-CD2 3.46Å; Y27-F29 PolarHBondContact O-N 2.93Å | ||
| 28 | W | 30 | Very low | 37.4 | Very low | 239 Ų | 239 | 115.5 Ų | 115.5 | 91% | 0.905 | 62% | 0.618 | S | S | * | * | 23.8 | 62.7 | 126.4 | -59.1 | 71.6 | 0 | 0 | 0 | 114 | G26 G30 | G26-W28 VanDerWaalsContact C-N 3.26Å; G26-W28 PolarHBondContact O-N 3.33Å; W28-G30 PolarHBondContact O-N 2.89Å | |||
| 29 | F | 36.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 111.1 Ų | 111.1 | 56% | 0.557 | 59% | 0.593 | S | S | * | * | trans | -78.7 | 63.4 | 150.6 | -65.4 | -77 | 0 | 0 | 0 | 106.7 | Y27 V31 V77 | Y27-F29 WeakPolarHBondContact O-CD2 3.46Å; Y27-F29 PolarHBondContact O-N 2.93Å; F29-V31 PolarHBondContact O-N 2.98Å; F29-V31 VanDerWaalsContact O-N 3.08Å; F29-V77 HydrophobicContact CD1-CG2 4.34Å; F29-V77 HydrophobicContact CD2-CG2 4.22Å; F29-V77 HydrophobicContact CE1-CB 4.09Å; F29-V77 HydrophobicContact CE1-CG1 4.27Å; F29-V77 HydrophobicContact CE1-CG2 3.63Å; F29-V77 HydrophobicContact CE2-CG2 3.48Å; F29-V77 VanDerWaalsContact CE2-CG2 3.48Å; F29-V77 HydrophobicContact CZ-CB 4.02Å; F29-V77 HydrophobicContact CZ-CG2 3.16Å | ||
| 30 | G | 33.7 | Very low | 38.6 | Very low | 73 Ų | 73 | 109.6 Ų | 109.6 | 75% | 0.753 | 59% | 0.591 | S | S | * | * | trans | -72.2 | 81.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | W28 | W28-G30 PolarHBondContact O-N 2.89Š| ||
| 31 | V | 35.3 | Very low | 39.4 | Very low | 91 Ų | 91 | 106.4 Ų | 106.4 | 55% | 0.552 | 57% | 0.569 | S | S | * | * | trans | -144.6 | 107.3 | 168.3 | -158.5 | 0 | 0 | 0 | 0 | 107 | F29 | F29-V31 PolarHBondContact O-N 2.98Å; F29-V31 VanDerWaalsContact O-N 3.08Å | ||
| 32 | D | 40 | Very low | 40.3 | Very low | 136 Ų | 136 | 108.8 Ų | 108.8 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | trans | -46.8 | 149.4 | 173.8 | -76.2 | -65.7 | 0 | 0 | 0 | 113 | ||||
| 33 | H | 39.5 | Very low | 41.1 | Very low | 155 Ų | 155 | 105.4 Ų | 105.4 | 72% | 0.718 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 91.8 | 86.7 | 160.5 | -52 | -26.4 | 0 | 0 | 0 | 117.6 | E35 | H33-E35 VanDerWaalsContact C-N 3.3Å; H33-E35 PolarHBondContact O-N 2.83Å |
| 34 | D | 47.4 | Very low | 42.2 | Very low | 169 Ų | 169 | 99.8 Ų | 99.8 | 90% | 0.904 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 44.8 | -8.5 | 139.1 | -66 | -27.1 | 0 | 0 | 0 | 123.6 | ||
| 35 | E | 47.5 | Very low | 43.3 | Very low | 106 Ų | 106 | 106.8 Ų | 106.8 | 50% | 0.495 | 55% | 0.55 | S | S | . | . | trans | -137.3 | 31.9 | -172.8 | -68 | -159.8 | -161.9 | 0 | 0 | 116.1 | H33 R80 | H33-E35 VanDerWaalsContact C-N 3.3Å; H33-E35 PolarHBondContact O-N 2.83Å; E35-R80 WeakPolarHBondContact OE2-CD 3.46Å; E35-R80 IonicContact OE2-CZ 3.96Å; E35-R80 IonicContact OE2-NH1 2.98Å; E35-R80 PolarHBondContact OE2-NH1 2.81Å | ||
| 36 | Q | 46.3 | Very low | 44.3 | Very low | 67 Ų | 67 | 108.3 Ų | 108.3 | 31% | 0.313 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 112.4 | 168.6 | -70.3 | -176.1 | 23.6 | 0 | 0 | 111.3 | V77 | Q36-V77 HydrophobicContact CB-CG1 3.93Å; Q36-V77 HydrophobicContact CG-CG1 4.14Å |
| 37 | T | 49.2 | Very low | 45.6 | Very low | 95 Ų | 95 | 108.6 Ų | 108.6 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.3 | 172.1 | -51.5 | 0 | 0 | 0 | 0 | 109.3 | N78 | T37-N78 PolarHBondContact O-N 2.75Å; T37-N78 VanDerWaalsContact O-N 3.12Å |
| 38 | V | 49 | Very low | 46.7 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.1 | 119.4 | 169.1 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | F75 V77 | V38-F75 HydrophobicContact CG1-CB 3.84Å; V38-F75 HydrophobicContact CG1-CD1 4.19Å; V38-F75 HydrophobicContact CG1-CG 4.22Å; V38-V77 HydrophobicContact CG2-CG2 4.28Å |
| 39 | A | 48.9 | Very low | 47.9 | Very low | 13 Ų | 13 | 102.3 Ų | 102.3 | 11% | 0.107 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M41 T57 C76 | A39-M41 PolarHBondContact O-N 2.78Å; A39-T57 HydrophobicContact CB-CG2 3.72Å; A39-C76 PolarHBondContact N-O 2.99Å; A39-C76 PolarHBondContact O-N 3.15Å; A39-C76 PolarHBondContact O-SG 3Å |
| 40 | P | 50 | Low | 48.6 | Very low | 98 Ų | 98 | 99.3 Ų | 99.3 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132 | 172.2 | 28.6 | -32.5 | 0 | 0 | 0 | 109.7 | F75 | P40-F75 HydrophobicContact CB-CD1 4.49Å |
| 41 | M | 52.1 | Low | 49.4 | Very low | 24 Ų | 24 | 96.2 Ų | 96.2 | 12% | 0.118 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 139.6 | 166.7 | -65.1 | -176.7 | 179.4 | 0 | 0 | 109.8 | A39 C53 I54 C55 Q64 C73 P74 C76 | A39-M41 PolarHBondContact O-N 2.78Å; M41-C53 HydrophobicContact CB-CB 4.19Å; M41-C53 HydrophobicContact SD-CB 3.67Å; M41-I54 WeakPolarHBondContact CA-O 2.94Å; M41-C55 HydrophobicContact CG-CB 4.01Å; M41-Q64 HydrophobicContact CE-CB 4.44Å; M41-C73 HydrophobicContact CB-CB 3.78Å; M41-P74 WeakPolarHBondContact CB-O 3.25Å; M41-P74 HydrophobicContact CE-CG 4.47Å; M41-P74 WeakPolarHBondContact CG-O 3.42Å; M41-P74 HydrophobicContact SD-CG 4.07Å; M41-C76 HydrophobicContact CE-CB 3.56Å; M41-C76 HydrophobicContact CG-CB 3.89Å |
| 42 | Q | 50.6 | Low | 50.5 | Low | 147 Ų | 147 | 94 Ų | 94 | 69% | 0.687 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139 | 172.9 | -171.4 | 176 | 2.3 | 0 | 0 | 110.1 | V44 C53 I54 | Q42-V44 PolarHBondContact O-N 2.87Å; Q42-C53 WeakPolarHBondContact O-CA 2.9Å; Q42-I54 PolarHBondContact N-O 3.06Å; Q42-I54 PolarHBondContact O-N 2.02Å |
| 43 | V | 51.9 | Low | 51.1 | Low | 51 Ų | 51 | 87.6 Ų | 87.6 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120 | 168.7 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | F46 L51 C73 | V43-F46 HydrophobicContact CB-CE2 4.46Å; V43-F46 HydrophobicContact CB-CZ 4.45Å; V43-F46 HydrophobicContact CG1-CD2 4.06Å; V43-F46 HydrophobicContact CG1-CE1 4.16Å; V43-F46 HydrophobicContact CG1-CE2 3.58Å; V43-F46 HydrophobicContact CG1-CZ 3.65Å; V43-F46 HydrophobicContact CG2-CZ 4.46Å; V43-L51 HydrophobicContact CG1-CD2 4.06Å; V43-L51 HydrophobicContact CG1-CG 4.18Å; V43-L51 HydrophobicContact CG2-CD2 4.22Å; V43-C73 HydrophobicContact CG2-CB 4.37Å; V43-C73 VanDerWaalsContact CG2-SG 3.51Å |
| 44 | V | 54.6 | Low | 51.9 | Low | 72 Ų | 72 | 82.3 Ų | 82.3 | 44% | 0.436 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -35.6 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | Q42 I52 I54 | Q42-V44 PolarHBondContact O-N 2.87Å; V44-I52 PolarHBondContact N-O 2.91Å; V44-I54 HydrophobicContact CB-CD1 3.85Å; V44-I54 HydrophobicContact CB-CG1 3.85Å; V44-I54 HydrophobicContact CG1-CD1 3.83Å; V44-I54 HydrophobicContact CG1-CG1 4.4Å; V44-I54 HydrophobicContact CG2-CB 3.57Å; V44-I54 HydrophobicContact CG2-CD1 3.56Å; V44-I54 HydrophobicContact CG2-CG1 3.37Å |
| 45 | R | 52.7 | Low | 52.2 | Low | 185 Ų | 185 | 74.3 Ų | 74.3 | 70% | 0.698 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.6 | 173.8 | -71.5 | -171.1 | 178.4 | -179.6 | -0.1 | 112.4 | I52 | R45-I52 HydrophobicContact CB-CB 4.34Å; R45-I52 HydrophobicContact CB-CD1 4.21Å; R45-I52 PolarHBondContact N-O 3.08Å; R45-I52 PolarHBondContact O-N 3.46Å |
| 46 | F | 52.4 | Low | 52.4 | Low | 154 Ų | 154 | 75.3 Ų | 75.3 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 109.9 | 160.2 | -63.8 | -88.7 | 0 | 0 | 0 | 107.7 | V43 L51 | V43-F46 HydrophobicContact CB-CE2 4.46Å; V43-F46 HydrophobicContact CB-CZ 4.45Å; V43-F46 HydrophobicContact CG1-CD2 4.06Å; V43-F46 HydrophobicContact CG1-CE1 4.16Å; V43-F46 HydrophobicContact CG1-CE2 3.58Å; V43-F46 HydrophobicContact CG1-CZ 3.65Å; V43-F46 HydrophobicContact CG2-CZ 4.46Å; F46-L51 HydrophobicContact CD1-CD1 4.05Å; F46-L51 HydrophobicContact CD1-CG 4.25Å; F46-L51 HydrophobicContact CE1-CD1 3.56Å; F46-L51 HydrophobicContact CE1-CG 4.11Å; F46-L51 HydrophobicContact CZ-CD1 4.44Å |
| 47 | S | 54.6 | Low | 52.6 | Low | 55 Ų | 55 | 72.7 Ų | 72.7 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 147.1 | 160.7 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | N49 N50 | S47-N49 PolarHBondContact O-N 2.92Å; S47-N50 WeakPolarHBondContact CA-O 3.49Å; S47-N50 WeakPolarHBondContact CB-O 3.21Å; S47-N50 PolarHBondContact N-O 2.92Å; S47-N50 PolarHBondContact O-N 2.96Å; S47-N50 VanDerWaalsContact O-O 3.04Å |
| 48 | P | 57.9 | Low | 52.7 | Low | 129 Ų | 129 | 74.1 Ų | 74.1 | 84% | 0.838 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -25 | -175.3 | 11.2 | -27.5 | 0 | 0 | 0 | 114.9 | ||
| 49 | N | 55.8 | Low | 52.6 | Low | 115 Ų | 115 | 75.9 Ų | 75.9 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | 9.3 | 177.7 | -71.5 | 29.3 | 0 | 0 | 0 | 114.3 | S47 P68 | S47-N49 PolarHBondContact O-N 2.92Å; N49-P68 WeakPolarHBondContact O-CD 3.49Å |
| 50 | N | 50.8 | Low | 52.5 | Low | 64 Ų | 64 | 78.8 Ų | 78.8 | 34% | 0.342 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 136.6 | -175.5 | -71.9 | -55.5 | 0 | 0 | 0 | 111.7 | S47 T65 | S47-N50 WeakPolarHBondContact CA-O 3.49Å; S47-N50 WeakPolarHBondContact CB-O 3.21Å; S47-N50 PolarHBondContact N-O 2.92Å; S47-N50 PolarHBondContact O-N 2.96Å; S47-N50 VanDerWaalsContact O-O 3.04Å; N50-T65 HydrophobicContact CB-CG2 3.71Å |
| 51 | L | 52.2 | Low | 52.3 | Low | 8 Ų | 8 | 79.5 Ų | 79.5 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.2 | 173.5 | -161.6 | 149.3 | 0 | 0 | 0 | 108.6 | V43 F46 C53 L66 S71 C73 | V43-L51 HydrophobicContact CG1-CD2 4.06Å; V43-L51 HydrophobicContact CG1-CG 4.18Å; V43-L51 HydrophobicContact CG2-CD2 4.22Å; F46-L51 HydrophobicContact CD1-CD1 4.05Å; F46-L51 HydrophobicContact CD1-CG 4.25Å; F46-L51 HydrophobicContact CE1-CD1 3.56Å; F46-L51 HydrophobicContact CE1-CG 4.11Å; F46-L51 HydrophobicContact CZ-CD1 4.44Å; L51-C53 WeakPolarHBondContact CD2-SG 3.34Å; L51-L66 PolarHBondContact N-O 2.77Å; L51-L66 PolarHBondContact O-N 2.91Å; L51-S71 WeakPolarHBondContact CD1-O 3.41Å; L51-C73 HydrophobicContact CD2-CB 4.48Å; L51-C73 WeakPolarHBondContact CD2-SG 2.92Å |
| 52 | I | 56.5 | Low | 52 | Low | 46 Ų | 46 | 82.9 Ų | 82.9 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.6 | -179.6 | -55.7 | -179.3 | 0 | 0 | 0 | 108.5 | V44 R45 V63 | V44-I52 PolarHBondContact N-O 2.91Å; R45-I52 HydrophobicContact CB-CB 4.34Å; R45-I52 HydrophobicContact CB-CD1 4.21Å; R45-I52 PolarHBondContact N-O 3.08Å; R45-I52 PolarHBondContact O-N 3.46Å; I52-V63 HydrophobicContact CG2-CG1 3.75Å |
| 53 | C | 54.3 | Low | 51.9 | Low | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.8 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 110 | M41 Q42 L51 V63 Q64 L66 C73 | M41-C53 HydrophobicContact CB-CB 4.19Å; M41-C53 HydrophobicContact SD-CB 3.67Å; Q42-C53 WeakPolarHBondContact O-CA 2.9Å; L51-C53 WeakPolarHBondContact CD2-SG 3.34Å; C53-V63 WeakPolarHBondContact O-CA 3.2Å; C53-Q64 PolarHBondContact N-O 2.96Å; C53-Q64 PolarHBondContact O-N 3.34Å; C53-L66 HydrophobicContact CB-CD1 4.44Å; C53-C73 WeakPolarHBondContact CA-SG 2.83Å; C53-C73 HydrophobicContact CB-CB 3.7Å; C53-C73 WeakPolarHBondContact CB-SG 3.24Å; C53-C73 WeakPolarHBondContact SG-CA 2.98Å; C53-C73 WeakPolarHBondContact SG-CB 3.06Å; C53-C73 CovalentContact SG-SG 2.02Å; C53-C73 PolarHBondContact SG-SG 2.84Å |
| 54 | I | 54.7 | Low | 51.8 | Low | 45 Ų | 45 | 82.2 Ų | 82.2 | 23% | 0.231 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.3 | 168.9 | -57 | -169.9 | 0 | 0 | 0 | 108.4 | M41 Q42 V44 V63 | M41-I54 WeakPolarHBondContact CA-O 2.94Å; Q42-I54 PolarHBondContact N-O 3.06Å; Q42-I54 PolarHBondContact O-N 2.02Å; V44-I54 HydrophobicContact CB-CD1 3.85Å; V44-I54 HydrophobicContact CB-CG1 3.85Å; V44-I54 HydrophobicContact CG1-CD1 3.83Å; V44-I54 HydrophobicContact CG1-CG1 4.4Å; V44-I54 HydrophobicContact CG2-CB 3.57Å; V44-I54 HydrophobicContact CG2-CD1 3.56Å; V44-I54 HydrophobicContact CG2-CG1 3.37Å; I54-V63 HydrophobicContact CD1-CG2 4.37Å; I54-V63 HydrophobicContact CG1-CG2 4.22Å |
| 55 | C | 54.6 | Low | 51.3 | Low | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 110.6 | 166.4 | 175.8 | 0 | 0 | 0 | 0 | 108.8 | M41 T57 D61 Q62 C76 | M41-C55 HydrophobicContact CG-CB 4.01Å; C55-T57 PolarHBondContact O-N 3.48Å; C55-T57 WeakPolarHBondContact SG-CG2 3.39Å; C55-D61 WeakPolarHBondContact O-CA 3.25Å; C55-Q62 HydrophobicContact CB-CB 3.93Å; C55-Q62 PolarHBondContact N-O 3.16Å; C55-Q62 PolarHBondContact O-N 2.92Å; C55-C76 HydrophobicContact CB-CB 3.38Å; C55-C76 WeakPolarHBondContact CB-SG 3.4Å; C55-C76 WeakPolarHBondContact SG-CB 3.45Å; C55-C76 CovalentContact SG-SG 1.98Å; C55-C76 PolarHBondContact SG-SG 2.65Å |
| 56 | N | 50.8 | Low | 51.2 | Low | 128 Ų | 128 | 74.3 Ų | 74.3 | 68% | 0.684 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 88.8 | 171.9 | -162.7 | -6.7 | 0 | 0 | 0 | 108.1 | ||
| 57 | T | 51.8 | Low | 50.8 | Low | 12 Ų | 12 | 70.8 Ų | 70.8 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | trans | -98.3 | 155.2 | 167.7 | 61.6 | 0 | 0 | 0 | 0 | 109 | A39 C55 E59 V60 N78 | A39-T57 HydrophobicContact CB-CG2 3.72Å; C55-T57 PolarHBondContact O-N 3.48Å; C55-T57 WeakPolarHBondContact SG-CG2 3.39Å; T57-E59 PolarHBondContact O-N 3.21Å; T57-V60 PolarHBondContact O-N 1.98Å; T57-V60 PolarHBondContact OG1-N 2.89Å; T57-V60 PolarHBondContact OG1-O 3.34Å; T57-N78 HydrophobicContact CG2-CB 3.65Å | ||
| 58 | S | 51.2 | Low | 50.4 | Low | 124 Ų | 124 | 72.4 Ų | 72.4 | 87% | 0.867 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -52.6 | -16.7 | -175.8 | -41.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 59 | E | 46.5 | Very low | 49.8 | Very low | 123 Ų | 123 | 72.1 Ų | 72.1 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -129.6 | -24.1 | -172 | -71.2 | 172.7 | 170.8 | 0 | 0 | 114.7 | T57 | T57-E59 PolarHBondContact O-N 3.21Š|
| 60 | V | 46.2 | Very low | 49.6 | Very low | 74 Ų | 74 | 70.1 Ų | 70.1 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -145.7 | 120.4 | -177.4 | -171.3 | 0 | 0 | 0 | 0 | 112 | T57 Q62 | T57-V60 PolarHBondContact O-N 1.98Å; T57-V60 PolarHBondContact OG1-N 2.89Å; T57-V60 PolarHBondContact OG1-O 3.34Å; V60-Q62 HydrophobicContact CG1-CG 3.99Å; V60-Q62 PolarHBondContact O-N 3.32Å; V60-Q62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | D | 45.8 | Very low | 49.6 | Very low | 113 Ų | 113 | 71.3 Ų | 71.3 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 97 | 165.2 | -73.4 | -42.6 | 0 | 0 | 0 | 109.2 | C55 | C55-D61 WeakPolarHBondContact O-CA 3.25Å |
| 62 | Q | 46.2 | Very low | 49.5 | Very low | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 117.8 | 171.3 | -68 | -173.4 | -9 | 0 | 0 | 109.8 | C55 V60 | C55-Q62 HydrophobicContact CB-CB 3.93Å; C55-Q62 PolarHBondContact N-O 3.16Å; C55-Q62 PolarHBondContact O-N 2.92Å; V60-Q62 HydrophobicContact CG1-CG 3.99Å; V60-Q62 PolarHBondContact O-N 3.32Å; V60-Q62 VanDerWaalsContact O-N 3.16Å |
| 63 | V | 48.2 | Very low | 49.1 | Very low | 92 Ų | 92 | 75.4 Ų | 75.4 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.3 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | I52 C53 I54 | I52-V63 HydrophobicContact CG2-CG1 3.75Å; C53-V63 WeakPolarHBondContact O-CA 3.2Å; I54-V63 HydrophobicContact CD1-CG2 4.37Å; I54-V63 HydrophobicContact CG1-CG2 4.22Å |
| 64 | Q | 49.6 | Very low | 49.2 | Very low | 93 Ų | 93 | 77.3 Ų | 77.3 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.4 | 173 | -160.2 | 173.1 | 22.7 | 0 | 0 | 110 | M41 C53 L66 | M41-Q64 HydrophobicContact CE-CB 4.44Å; C53-Q64 PolarHBondContact N-O 2.96Å; C53-Q64 PolarHBondContact O-N 3.34Å; Q64-L66 HydrophobicContact CB-CD1 4.12Å; Q64-L66 HydrophobicContact CG-CD1 3.91Å |
| 65 | T | 45.2 | Very low | 48.9 | Very low | 77 Ų | 77 | 82.4 Ų | 82.4 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115.3 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 108.4 | N50 | N50-T65 HydrophobicContact CB-CG2 3.71Å |
| 66 | L | 50 | Low | 48.7 | Very low | 13 Ų | 13 | 82.5 Ų | 82.5 | 7% | 0.068 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128 | 177.5 | -75.4 | 81 | 0 | 0 | 0 | 109.9 | L51 C53 Q64 L70 P74 | L51-L66 PolarHBondContact N-O 2.77Å; L51-L66 PolarHBondContact O-N 2.91Å; C53-L66 HydrophobicContact CB-CD1 4.44Å; Q64-L66 HydrophobicContact CB-CD1 4.12Å; Q64-L66 HydrophobicContact CG-CD1 3.91Å; L66-L70 HydrophobicContact CB-CB 4.13Å; L66-L70 HydrophobicContact CB-CD1 4.36Å; L66-L70 HydrophobicContact CD2-CB 3.77Å; L66-L70 HydrophobicContact CD2-CD1 3.72Å; L66-L70 HydrophobicContact CD2-CG 4.19Å; L66-L70 HydrophobicContact CG-CD1 4.34Å; L66-P74 HydrophobicContact CD2-CG 4.23Å |
| 67 | P | 44.4 | Very low | 48.5 | Very low | 80 Ų | 80 | 77.4 Ų | 77.4 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 152.8 | 169 | 30.4 | -32.4 | 0 | 0 | 0 | 110.7 | L70 | P67-L70 PolarHBondContact O-N 3.12Š|
| 68 | P | 45.1 | Very low | 48 | Very low | 89 Ų | 89 | 77.6 Ų | 77.6 | 58% | 0.578 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 148 | 173.2 | 23 | -33.9 | 0 | 0 | 0 | 110.9 | N49 | N49-P68 WeakPolarHBondContact O-CD 3.49Š|
| 69 | P | 47 | Very low | 47.6 | Very low | 124 Ų | 124 | 77.1 Ų | 77.1 | 81% | 0.805 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.8 | 16 | 17.6 | 37.4 | -36.1 | 0 | 0 | 0 | 115.2 | S71 | P69-S71 PolarHBondContact O-N 3.24Š|
| 70 | L | 49.9 | Very low | 47.3 | Very low | 72 Ų | 72 | 77.5 Ų | 77.5 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | trans | -67.4 | 101.7 | 179.8 | -67.4 | 157.7 | 0 | 0 | 0 | 109.6 | L66 P67 I72 | L66-L70 HydrophobicContact CB-CB 4.13Å; L66-L70 HydrophobicContact CB-CD1 4.36Å; L66-L70 HydrophobicContact CD2-CB 3.77Å; L66-L70 HydrophobicContact CD2-CD1 3.72Å; L66-L70 HydrophobicContact CD2-CG 4.19Å; L66-L70 HydrophobicContact CG-CD1 4.34Å; P67-L70 PolarHBondContact O-N 3.12Å; L70-I72 VanDerWaalsContact C-N 3.31Å | ||
| 71 | S | 50.9 | Low | 46.8 | Very low | 90 Ų | 90 | 84.2 Ų | 84.2 | 63% | 0.629 | 44% | 0.442 | S | S | * | . | trans | -90.1 | 5.1 | 178.4 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | L51 P69 | L51-S71 WeakPolarHBondContact CD1-O 3.41Å; P69-S71 PolarHBondContact O-N 3.24Å | ||
| 72 | I | 50.1 | Low | 46.1 | Very low | 124 Ų | 124 | 85.7 Ų | 85.7 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -134.2 | 137.3 | -172 | -53.4 | 174.8 | 0 | 0 | 0 | 108.9 | L70 | L70-I72 VanDerWaalsContact C-N 3.31Š|
| 73 | C | 49.2 | Very low | 45.3 | Very low | 15 Ų | 15 | 89.5 Ų | 89.5 | 10% | 0.101 | 47% | 0.466 | C | S | . | . | trans | -75 | 126.6 | 168.1 | -71.5 | 0 | 0 | 0 | 0 | 111 | M41 V43 L51 C53 | M41-C73 HydrophobicContact CB-CB 3.78Å; V43-C73 HydrophobicContact CG2-CB 4.37Å; V43-C73 VanDerWaalsContact CG2-SG 3.51Å; L51-C73 HydrophobicContact CD2-CB 4.48Å; L51-C73 WeakPolarHBondContact CD2-SG 2.92Å; C53-C73 WeakPolarHBondContact CA-SG 2.83Å; C53-C73 HydrophobicContact CB-CB 3.7Å; C53-C73 WeakPolarHBondContact CB-SG 3.24Å; C53-C73 WeakPolarHBondContact SG-CA 2.98Å; C53-C73 WeakPolarHBondContact SG-CB 3.06Å; C53-C73 CovalentContact SG-SG 2.02Å; C53-C73 PolarHBondContact SG-SG 2.84Å | ||
| 74 | P | 55.1 | Low | 44.7 | Very low | 41 Ų | 41 | 93.4 Ų | 93.4 | 27% | 0.266 | 50% | 0.497 | S | S | . | . | trans | -68.8 | 175.6 | 172.4 | 29.9 | -33.9 | 0 | 0 | 0 | 111.3 | M41 L66 | M41-P74 WeakPolarHBondContact CB-O 3.25Å; M41-P74 HydrophobicContact CE-CG 4.47Å; M41-P74 WeakPolarHBondContact CG-O 3.42Å; M41-P74 HydrophobicContact SD-CG 4.07Å; L66-P74 HydrophobicContact CD2-CG 4.23Å | ||
| 75 | F | 49.9 | Very low | 44.4 | Very low | 151 Ų | 151 | 93.4 Ų | 93.4 | 66% | 0.662 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 156.4 | 170.9 | -58.6 | -90 | 0 | 0 | 0 | 110.7 | V38 P40 | V38-F75 HydrophobicContact CG1-CB 3.84Å; V38-F75 HydrophobicContact CG1-CD1 4.19Å; V38-F75 HydrophobicContact CG1-CG 4.22Å; P40-F75 HydrophobicContact CB-CD1 4.49Å |
| 76 | C | 50.2 | Low | 44.4 | Very low | 3 Ų | 3 | 94.3 Ų | 94.3 | 2% | 0.02 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 151.5 | 168.7 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | A39 M41 C55 | A39-C76 PolarHBondContact N-O 2.99Å; A39-C76 PolarHBondContact O-N 3.15Å; A39-C76 PolarHBondContact O-SG 3Å; M41-C76 HydrophobicContact CE-CB 3.56Å; M41-C76 HydrophobicContact CG-CB 3.89Å; C55-C76 HydrophobicContact CB-CB 3.38Å; C55-C76 WeakPolarHBondContact CB-SG 3.4Å; C55-C76 WeakPolarHBondContact SG-CB 3.45Å; C55-C76 CovalentContact SG-SG 1.98Å; C55-C76 PolarHBondContact SG-SG 2.65Å |
| 77 | V | 45.7 | Very low | 44.1 | Very low | 20 Ų | 20 | 98.8 Ų | 98.8 | 12% | 0.121 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.3 | 175.6 | 178 | 0 | 0 | 0 | 0 | 108.6 | F29 Q36 V38 I79 | F29-V77 HydrophobicContact CD1-CG2 4.34Å; F29-V77 HydrophobicContact CD2-CG2 4.22Å; F29-V77 HydrophobicContact CE1-CB 4.09Å; F29-V77 HydrophobicContact CE1-CG1 4.27Å; F29-V77 HydrophobicContact CE1-CG2 3.63Å; F29-V77 HydrophobicContact CE2-CG2 3.48Å; F29-V77 VanDerWaalsContact CE2-CG2 3.48Å; F29-V77 HydrophobicContact CZ-CB 4.02Å; F29-V77 HydrophobicContact CZ-CG2 3.16Å; Q36-V77 HydrophobicContact CB-CG1 3.93Å; Q36-V77 HydrophobicContact CG-CG1 4.14Å; V38-V77 HydrophobicContact CG2-CG2 4.28Å; V77-I79 HydrophobicContact CG1-CG1 4.32Å; V77-I79 PolarHBondContact O-N 2.77Å |
| 78 | N | 42.4 | Very low | 44.1 | Very low | 17 Ų | 17 | 99.9 Ų | 99.9 | 9% | 0.091 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 101.6 | 166.5 | -163.8 | 1 | 0 | 0 | 0 | 107.7 | T37 T57 R80 | T37-N78 PolarHBondContact O-N 2.75Å; T37-N78 VanDerWaalsContact O-N 3.12Å; T57-N78 HydrophobicContact CG2-CB 3.65Å; N78-R80 PolarHBondContact O-N 3.39Å; N78-R80 VanDerWaalsContact O-N 3.15Å |
| 79 | I | 42.4 | Very low | 44 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 100 | 162.9 | -55.2 | 171.1 | 0 | 0 | 0 | 104 | V77 R81 | V77-I79 HydrophobicContact CG1-CG1 4.32Å; V77-I79 PolarHBondContact O-N 2.77Å; I79-R81 PolarHBondContact O-N 2.83Å |
| 80 | R | 40 | Very low | 43.8 | Very low | 132 Ų | 132 | 99 Ų | 99 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | trans | -52.7 | 104 | 157.3 | -88.8 | -172.7 | 175.6 | 179.7 | 1.7 | 104.9 | E35 N78 I82 | E35-R80 WeakPolarHBondContact OE2-CD 3.46Å; E35-R80 IonicContact OE2-CZ 3.96Å; E35-R80 IonicContact OE2-NH1 2.98Å; E35-R80 PolarHBondContact OE2-NH1 2.81Å; N78-R80 PolarHBondContact O-N 3.39Å; N78-R80 VanDerWaalsContact O-N 3.15Å; R80-I82 VanDerWaalsContact C-N 3.29Å; R80-I82 PolarHBondContact O-N 3.49Å | ||
| 81 | R | 35.6 | Very low | 43.4 | Very low | 214 Ų | 214 | 100.9 Ų | 100.9 | 81% | 0.808 | 51% | 0.513 | S | S | * | . | trans | -60.5 | 107.8 | 171.4 | -145.9 | 179.7 | -164.6 | 173.6 | 3.7 | 102.2 | I79 Q83 | I79-R81 PolarHBondContact O-N 2.83Å; R81-Q83 PolarHBondContact O-N 2.84Å | ||
| 82 | I | 30.4 | Very low | 42.8 | Very low | 145 Ų | 145 | 101.8 Ų | 101.8 | 74% | 0.744 | 50% | 0.504 | S | S | * | . | trans | -59.7 | 86.7 | 168.6 | -59 | 168 | 0 | 0 | 0 | 103.9 | R80 S84 | R80-I82 VanDerWaalsContact C-N 3.29Å; R80-I82 PolarHBondContact O-N 3.49Å; I82-S84 PolarHBondContact O-N 2.98Å | ||
| 83 | Q | 30.3 | Very low | 42.2 | Very low | 175 Ų | 175 | 99.9 Ų | 99.9 | 82% | 0.818 | 49% | 0.493 | S | S | * | . | trans | -71.3 | 88 | 157.3 | -77.7 | -168.6 | -22.6 | 0 | 0 | 103.3 | R81 | R81-Q83 PolarHBondContact O-N 2.84Š| ||
| 84 | S | 34.8 | Very low | 41.5 | Very low | 173 Ų | 173 | 107.6 Ų | 107.6 | 100% | 1.21 | 53% | 0.529 | S | S | * | . | trans | -55.2 | 0 | 155.6 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | I82 | I82-S84 PolarHBondContact O-N 2.98Š|
Retrieved 84 of 84 residues in 104 ms
(Link to these results)