| 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 | 61.3 | Low | 66.7 | Low | 222 Ų | 222 | 128.7 Ų | 128.7 | 100% | 1.094 | 68% | 0.677 | S | S | * | * | 0 | -21.6 | 0 | -56.2 | -162.3 | -164.7 | 0 | 0 | 114.9 | A3 L4 | M1-A3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 3.1Å | |||
| 2 | K | 61.9 | Low | 65.9 | Low | 191 Ų | 191 | 120.9 Ų | 120.9 | 83% | 0.83 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.7 | -24.6 | -176.4 | -65.3 | -177.7 | -179.5 | 179.4 | 0 | 116.4 | S5 | K2-S5 PolarHBondContact O-OG 3.04Å |
| 3 | A | 70.3 | Confident | 65.1 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 72% | 0.719 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.7 | -31.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1 L6 L7 | M1-A3 PolarHBondContact O-N 2.91Å; A3-L6 PolarHBondContact O-N 2.64Å; A3-L7 PolarHBondContact O-N 3.28Å |
| 4 | L | 67.6 | Low | 64.2 | Low | 112 Ų | 112 | 113.9 Ų | 113.9 | 59% | 0.586 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.1 | -39 | -178.7 | -111.4 | 150.2 | 0 | 0 | 0 | 112 | M1 L6 L7 F8 | M1-L4 PolarHBondContact O-N 3.1Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 2.97Å; L4-L7 PolarHBondContact O-N 3.12Å; L4-F8 HydrophobicContact CD2-CD2 4.27Å; L4-F8 HydrophobicContact CD2-CE2 3.82Å; L4-F8 WeakPolarHBondContact O-CD2 3.09Å; L4-F8 PolarHBondContact O-N 2.87Å; L4-F8 VanDerWaalsContact O-N 3.14Å |
| 5 | S | 67.9 | Low | 63.4 | Low | 78 Ų | 78 | 112.6 Ų | 112.6 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.9 | -33 | 177 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | K2 L9 | K2-S5 PolarHBondContact O-OG 3.04Å; S5-L9 PolarHBondContact O-N 3.21Å |
| 6 | L | 72.9 | Confident | 62.7 | Low | 113 Ų | 113 | 111.6 Ų | 111.6 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73 | -35 | 179.1 | -143.6 | 124 | 0 | 0 | 0 | 111.3 | A3 L4 L9 L10 | A3-L6 PolarHBondContact O-N 2.64Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 2.97Å; L6-L9 PolarHBondContact O-N 2.74Å; L6-L10 HydrophobicContact CD2-CD1 4.16Å; L6-L10 PolarHBondContact O-N 2.82Å |
| 7 | L | 69.4 | Low | 62.2 | Low | 108 Ų | 108 | 111.2 Ų | 111.2 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -41.8 | 175.1 | -156.5 | 106.5 | 0 | 0 | 0 | 111.8 | A3 L4 L9 L10 L11 | A3-L7 PolarHBondContact O-N 3.28Å; L4-L7 PolarHBondContact O-N 3.12Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.93Å; L7-L11 HydrophobicContact CD2-CD1 3.92Å; L7-L11 HydrophobicContact CG-CD1 4.11Å; L7-L11 PolarHBondContact O-N 2.91Å |
| 8 | F | 66.7 | Low | 61.6 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 66% | 0.662 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.3 | -38.5 | 174 | -87.1 | -73 | 0 | 0 | 0 | 112.3 | L4 G12 | L4-F8 HydrophobicContact CD2-CD2 4.27Å; L4-F8 HydrophobicContact CD2-CE2 3.82Å; L4-F8 WeakPolarHBondContact O-CD2 3.09Å; L4-F8 PolarHBondContact O-N 2.87Å; L4-F8 VanDerWaalsContact O-N 3.14Å; F8-G12 PolarHBondContact O-N 2.93Å |
| 9 | L | 66.9 | Low | 61.1 | Low | 137 Ų | 137 | 110 Ų | 110 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.6 | -41.4 | 176.3 | -158.8 | 105.1 | 0 | 0 | 0 | 111.7 | S5 L6 L7 A13 | S5-L9 PolarHBondContact O-N 3.21Å; L6-L9 PolarHBondContact O-N 2.74Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.94Å; L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 2.74Å |
| 10 | L | 64.5 | Low | 60.8 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -42.7 | 178.9 | -103.1 | 148.7 | 0 | 0 | 0 | 113 | L6 L7 G12 A13 T14 | L6-L10 HydrophobicContact CD2-CD1 4.16Å; L6-L10 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-A13 PolarHBondContact O-N 3.5Å; L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.17Å |
| 11 | L | 63.8 | Low | 60.7 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 57% | 0.571 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.6 | -37.1 | 173.7 | -104 | 103.3 | 0 | 0 | 0 | 111.8 | L7 T14 | L7-L11 HydrophobicContact CD2-CD1 3.92Å; L7-L11 HydrophobicContact CG-CD1 4.11Å; L7-L11 PolarHBondContact O-N 2.91Å; L11-T14 PolarHBondContact O-OG1 2.62Å; L11-T14 VanDerWaalsContact O-OG1 3.06Å |
| 12 | G | 57.2 | Low | 60.5 | Low | 35 Ų | 35 | 106.7 Ų | 106.7 | 36% | 0.361 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.5 | -45.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F8 L10 T14 T15 | F8-G12 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact C-N 3.31Å; G12-T14 PolarHBondContact O-N 2.61Å; G12-T15 PolarHBondContact O-N 3.32Å; G12-T15 PolarHBondContact O-OG1 3.4Å |
| 13 | A | 56.2 | Low | 60 | Low | 60 Ų | 60 | 104.5 Ų | 104.5 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.8 | -37.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L9 L10 T15 V16 | L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 2.74Å; L10-A13 PolarHBondContact O-N 3.5Å; A13-T15 VanDerWaalsContact C-N 3.34Å; A13-T15 PolarHBondContact O-N 2.63Å; A13-V16 PolarHBondContact O-N 2.88Å |
| 14 | T | 52.2 | Low | 59 | Low | 84 Ų | 84 | 102.2 Ų | 102.2 | 52% | 0.515 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.6 | -34.3 | 179.3 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | L10 L11 G12 V16 S17 | L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.17Å; L11-T14 PolarHBondContact O-OG1 2.62Å; L11-T14 VanDerWaalsContact O-OG1 3.06Å; G12-T14 PolarHBondContact O-N 2.61Å; T14-V16 PolarHBondContact O-N 3.4Å; T14-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-OG 2.77Å |
| 15 | T | 52.2 | Low | 58.1 | Low | 94 Ų | 94 | 101.2 Ų | 101.2 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.5 | -18.8 | 175 | 63.1 | 0 | 0 | 0 | 0 | 114 | G12 A13 | G12-T15 PolarHBondContact O-N 3.32Å; G12-T15 PolarHBondContact O-OG1 3.4Å; A13-T15 VanDerWaalsContact C-N 3.34Å; A13-T15 PolarHBondContact O-N 2.63Å |
| 16 | V | 53 | Low | 56.9 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 58% | 0.582 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82.8 | -22.3 | 177 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | A13 T14 S18 F19 | A13-V16 PolarHBondContact O-N 2.88Å; T14-V16 PolarHBondContact O-N 3.4Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.07Å; V16-F19 WeakPolarHBondContact O-CB 2.95Å; V16-F19 PolarHBondContact O-N 2.94Å; V16-F19 VanDerWaalsContact O-N 3.14Å |
| 17 | S | 53.3 | Low | 55.8 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 74% | 0.741 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.1 | -21.1 | -175.7 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | T14 | T14-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-OG 2.77Å |
| 18 | S | 51.8 | Low | 54.8 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 73% | 0.727 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.5 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | V16 D20 | V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.07Å; S18-D20 PolarHBondContact O-N 2.88Å; S18-D20 VanDerWaalsContact O-N 3.09Å |
| 19 | F | 52.3 | Low | 54 | Low | 95 Ų | 95 | 99.4 Ų | 99.4 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | trans | -75.6 | 102.2 | -179.2 | -144.1 | -91.8 | 0 | 0 | 0 | 109.8 | V16 I21 V24 L27 | V16-F19 WeakPolarHBondContact O-CB 2.95Å; V16-F19 PolarHBondContact O-N 2.94Å; V16-F19 VanDerWaalsContact O-N 3.14Å; F19-I21 PolarHBondContact O-N 3.03Å; F19-V24 HydrophobicContact CD1-CG2 3.61Å; F19-V24 HydrophobicContact CE1-CG2 4.1Å; F19-L27 HydrophobicContact CE1-CD1 3.5Å; F19-L27 VanDerWaalsContact CE1-CD1 3.5Å; F19-L27 HydrophobicContact CE2-CD1 4.5Å; F19-L27 HydrophobicContact CZ-CD1 3.26Å | ||
| 20 | D | 54.3 | Low | 53.3 | Low | 58 Ų | 58 | 97.3 Ų | 97.3 | 31% | 0.31 | 53% | 0.532 | S | S | . | . | trans | -54.8 | 122.3 | 173.7 | -179.2 | -14.4 | 0 | 0 | 0 | 109 | S18 R22 Y23 | S18-D20 PolarHBondContact O-N 2.88Å; S18-D20 VanDerWaalsContact O-N 3.09Å; D20-R22 PolarHBondContact O-N 3.19Å; D20-R22 WeakPolarHBondContact OD1-CB 3.32Å; D20-R22 WeakPolarHBondContact OD1-CG 3.42Å; D20-R22 PolarHBondContact OD1-N 2.97Å; D20-R22 IonicContact OD1-NE 3Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.14Å; D20-R22 IonicContact OD2-CZ 3.81Å; D20-R22 VanDerWaalsContact OD2-CZ 3.27Å; D20-R22 IonicContact OD2-NE 2.73Å; D20-R22 PolarHBondContact OD2-NE 2.94Å; D20-R22 IonicContact OD2-NH2 3.27Å; D20-R22 PolarHBondContact OD2-NH2 2.94Å; D20-Y23 HydrophobicContact CB-CD2 3.83Å; D20-Y23 HydrophobicContact CB-CE2 4.03Å; D20-Y23 PolarHBondContact O-N 3.33Å | ||
| 21 | I | 59 | Low | 52.4 | Low | 131 Ų | 131 | 93.6 Ų | 93.6 | 67% | 0.672 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -54.3 | -21.6 | -177.6 | -114.1 | 165.8 | 0 | 0 | 0 | 112.2 | F19 Y23 V24 | F19-I21 PolarHBondContact O-N 3.03Å; I21-Y23 PolarHBondContact O-N 2.92Å; I21-V24 HydrophobicContact CG1-CB 4.47Å; I21-V24 HydrophobicContact CG1-CG2 4.27Å; I21-V24 VanDerWaalsContact O-CB 3.26Å; I21-V24 WeakPolarHBondContact O-CB 3.02Å; I21-V24 PolarHBondContact O-N 2.88Å |
| 22 | R | 57.2 | Low | 51.6 | Low | 183 Ų | 183 | 95.4 Ų | 95.4 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.2 | -22.2 | 175.2 | -66.6 | -179.6 | -74.2 | -174.3 | -1.2 | 113.8 | D20 T25 P26 | D20-R22 PolarHBondContact O-N 3.19Å; D20-R22 WeakPolarHBondContact OD1-CB 3.32Å; D20-R22 WeakPolarHBondContact OD1-CG 3.42Å; D20-R22 PolarHBondContact OD1-N 2.97Å; D20-R22 IonicContact OD1-NE 3Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.14Å; D20-R22 IonicContact OD2-CZ 3.81Å; D20-R22 VanDerWaalsContact OD2-CZ 3.27Å; D20-R22 IonicContact OD2-NE 2.73Å; D20-R22 PolarHBondContact OD2-NE 2.94Å; D20-R22 IonicContact OD2-NH2 3.27Å; D20-R22 PolarHBondContact OD2-NH2 2.94Å; R22-T25 PolarHBondContact O-OG1 2.87Å; R22-P26 WeakPolarHBondContact O-CD 3.25Å |
| 23 | Y | 51.2 | Low | 51.2 | Low | 146 Ų | 146 | 96.9 Ų | 96.9 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -88.5 | -16.6 | 170.8 | -61.3 | -74 | 0 | 0 | 0 | 112.6 | D20 I21 P26 L27 | D20-Y23 HydrophobicContact CB-CD2 3.83Å; D20-Y23 HydrophobicContact CB-CE2 4.03Å; D20-Y23 PolarHBondContact O-N 3.33Å; I21-Y23 PolarHBondContact O-N 2.92Å; Y23-P26 WeakPolarHBondContact O-CD 3Å; Y23-P26 WeakPolarHBondContact O-CG 3.32Å; Y23-L27 WeakPolarHBondContact O-CB 3.38Å; Y23-L27 WeakPolarHBondContact O-CD1 3.27Å; Y23-L27 WeakPolarHBondContact O-CG 3.41Å; Y23-L27 PolarHBondContact O-N 2.92Å |
| 24 | V | 49.1 | Very low | 50.8 | Low | 38 Ų | 38 | 100.4 Ų | 100.4 | 23% | 0.23 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -70.1 | -36.7 | 179.8 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | F19 I21 L27 F28 | F19-V24 HydrophobicContact CD1-CG2 3.61Å; F19-V24 HydrophobicContact CE1-CG2 4.1Å; I21-V24 HydrophobicContact CG1-CB 4.47Å; I21-V24 HydrophobicContact CG1-CG2 4.27Å; I21-V24 VanDerWaalsContact O-CB 3.26Å; I21-V24 WeakPolarHBondContact O-CB 3.02Å; I21-V24 PolarHBondContact O-N 2.88Å; V24-L27 PolarHBondContact O-N 3.39Å; V24-F28 HydrophobicContact CB-CD2 4.47Å; V24-F28 HydrophobicContact CG1-CD2 3.24Å; V24-F28 HydrophobicContact CG1-CE2 3.13Å; V24-F28 HydrophobicContact CG1-CZ 4.4Å; V24-F28 WeakPolarHBondContact O-CB 2.91Å; V24-F28 VanDerWaalsContact O-CD2 3.24Å; V24-F28 WeakPolarHBondContact O-CD2 2.99Å; V24-F28 PolarHBondContact O-N 3.22Å |
| 25 | T | 48.6 | Very low | 50.6 | Low | 92 Ų | 92 | 98.4 Ų | 98.4 | 56% | 0.564 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -47.1 | 178.7 | 38.3 | 0 | 0 | 0 | 0 | 114.3 | R22 I29 | R22-T25 PolarHBondContact O-OG1 2.87Å; T25-I29 WeakPolarHBondContact O-CG1 3.04Å; T25-I29 PolarHBondContact O-N 2.83Å |
| 26 | P | 43.7 | Very low | 50.6 | Low | 59 Ų | 59 | 101.4 Ų | 101.4 | 38% | 0.383 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 173.2 | 24.9 | -32.1 | 0 | 0 | 0 | 112.7 | R22 Y23 I29 I30 | R22-P26 WeakPolarHBondContact O-CD 3.25Å; Y23-P26 WeakPolarHBondContact O-CD 3Å; Y23-P26 WeakPolarHBondContact O-CG 3.32Å; P26-I29 PolarHBondContact O-N 3.46Å; P26-I30 WeakPolarHBondContact O-CG1 3.25Å; P26-I30 PolarHBondContact O-N 3.47Å |
| 27 | L | 50.2 | Low | 50.6 | Low | 89 Ų | 89 | 98.5 Ų | 98.5 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.3 | -27.5 | 177.1 | -81.3 | 161.3 | 0 | 0 | 0 | 113.6 | F19 Y23 V24 I29 G31 | F19-L27 HydrophobicContact CE1-CD1 3.5Å; F19-L27 VanDerWaalsContact CE1-CD1 3.5Å; F19-L27 HydrophobicContact CE2-CD1 4.5Å; F19-L27 HydrophobicContact CZ-CD1 3.26Å; Y23-L27 WeakPolarHBondContact O-CB 3.38Å; Y23-L27 WeakPolarHBondContact O-CD1 3.27Å; Y23-L27 WeakPolarHBondContact O-CG 3.41Å; Y23-L27 PolarHBondContact O-N 2.92Å; V24-L27 PolarHBondContact O-N 3.39Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-G31 WeakPolarHBondContact O-CA 2.88Å; L27-G31 PolarHBondContact O-N 3.19Å |
| 28 | F | 48 | Very low | 50.6 | Low | 134 Ų | 134 | 99.6 Ų | 99.6 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71 | -30.6 | 169.5 | -91.4 | -66.2 | 0 | 0 | 0 | 112.2 | V24 K32 | V24-F28 HydrophobicContact CB-CD2 4.47Å; V24-F28 HydrophobicContact CG1-CD2 3.24Å; V24-F28 HydrophobicContact CG1-CE2 3.13Å; V24-F28 HydrophobicContact CG1-CZ 4.4Å; V24-F28 WeakPolarHBondContact O-CB 2.91Å; V24-F28 VanDerWaalsContact O-CD2 3.24Å; V24-F28 WeakPolarHBondContact O-CD2 2.99Å; V24-F28 PolarHBondContact O-N 3.22Å; F28-K32 VanDerWaalsContact O-CB 3.22Å; F28-K32 WeakPolarHBondContact O-CB 3.34Å; F28-K32 VanDerWaalsContact O-CG 3.25Å; F28-K32 WeakPolarHBondContact O-CG 3.39Å; F28-K32 PolarHBondContact O-N 2.93Å |
| 29 | I | 50 | Low | 50.7 | Low | 130 Ų | 130 | 100.3 Ų | 100.3 | 67% | 0.667 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.1 | -47.7 | 177.2 | -65 | 168.8 | 0 | 0 | 0 | 110.1 | T25 P26 L27 A33 | T25-I29 WeakPolarHBondContact O-CG1 3.04Å; T25-I29 PolarHBondContact O-N 2.83Å; P26-I29 PolarHBondContact O-N 3.46Å; L27-I29 VanDerWaalsContact C-N 3.33Å; I29-A33 PolarHBondContact O-N 3.47Å |
| 30 | I | 51.6 | Low | 50.8 | Low | 92 Ų | 92 | 97.6 Ų | 97.6 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -44.9 | 176.9 | -62.2 | 169.4 | 0 | 0 | 0 | 110.1 | P26 K32 A33 E34 | P26-I30 WeakPolarHBondContact O-CG1 3.25Å; P26-I30 PolarHBondContact O-N 3.47Å; I30-K32 VanDerWaalsContact C-N 3.32Å; I30-K32 PolarHBondContact O-N 2.81Å; I30-A33 WeakPolarHBondContact O-CB 3.28Å; I30-A33 PolarHBondContact O-N 3.28Å; I30-E34 HydrophobicContact CG2-CG 4.4Å; I30-E34 PolarHBondContact O-N 3.38Å |
| 31 | G | 46.3 | Very low | 51 | Low | 31 Ų | 31 | 100 Ų | 100 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -27.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L27 A35 | L27-G31 WeakPolarHBondContact O-CA 2.88Å; L27-G31 PolarHBondContact O-N 3.19Å; G31-A35 WeakPolarHBondContact O-CA 3.44Å; G31-A35 WeakPolarHBondContact O-CB 3.32Å; G31-A35 PolarHBondContact O-N 2.72Å |
| 32 | K | 45.7 | Very low | 50.7 | Low | 147 Ų | 147 | 97 Ų | 97 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.2 | -36.9 | 168.7 | -83.2 | -175.5 | 171.8 | -175.6 | 0 | 112.5 | F28 I30 Q36 | F28-K32 VanDerWaalsContact O-CB 3.22Å; F28-K32 WeakPolarHBondContact O-CB 3.34Å; F28-K32 VanDerWaalsContact O-CG 3.25Å; F28-K32 WeakPolarHBondContact O-CG 3.39Å; F28-K32 PolarHBondContact O-N 2.93Å; I30-K32 VanDerWaalsContact C-N 3.32Å; I30-K32 PolarHBondContact O-N 2.81Å; K32-Q36 WeakPolarHBondContact O-CB 3.15Å; K32-Q36 WeakPolarHBondContact O-CG 3.45Å; K32-Q36 PolarHBondContact O-N 3.31Å |
| 33 | A | 49.3 | Very low | 50.4 | Low | 65 Ų | 65 | 90.6 Ų | 90.6 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I29 I30 Q36 G37 | I29-A33 PolarHBondContact O-N 3.47Å; I30-A33 WeakPolarHBondContact O-CB 3.28Å; I30-A33 PolarHBondContact O-N 3.28Å; A33-Q36 PolarHBondContact O-N 3.4Å; A33-G37 PolarHBondContact O-N 3.27Å |
| 34 | E | 47.3 | Very low | 50.7 | Low | 134 Ų | 134 | 88.3 Ų | 88.3 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.5 | -34.3 | 175.6 | -72.2 | -172.2 | 167.2 | 0 | 0 | 112.2 | I30 G37 F38 | I30-E34 HydrophobicContact CG2-CG 4.4Å; I30-E34 PolarHBondContact O-N 3.38Å; E34-G37 PolarHBondContact O-N 3.06Å; E34-F38 WeakPolarHBondContact O-CA 3.21Å; E34-F38 WeakPolarHBondContact O-CB 3.35Å; E34-F38 PolarHBondContact O-N 2.93Å |
| 35 | A | 49.8 | Very low | 50.8 | Low | 43 Ų | 43 | 93 Ų | 93 | 36% | 0.355 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G31 L39 | G31-A35 WeakPolarHBondContact O-CA 3.44Å; G31-A35 WeakPolarHBondContact O-CB 3.32Å; G31-A35 PolarHBondContact O-N 2.72Å; A35-L39 WeakPolarHBondContact O-CA 3.41Å; A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 WeakPolarHBondContact O-CD1 3.32Å; A35-L39 WeakPolarHBondContact O-CG 3.47Å; A35-L39 PolarHBondContact O-N 2.82Å |
| 36 | Q | 51.4 | Low | 50.6 | Low | 156 Ų | 156 | 96.1 Ų | 96.1 | 73% | 0.729 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.4 | -42.2 | 172.1 | -79.3 | -177.4 | -25 | 0 | 0 | 111.8 | K32 A33 G40 | K32-Q36 WeakPolarHBondContact O-CB 3.15Å; K32-Q36 WeakPolarHBondContact O-CG 3.45Å; K32-Q36 PolarHBondContact O-N 3.31Å; A33-Q36 PolarHBondContact O-N 3.4Å; Q36-G40 PolarHBondContact O-N 3.06Å |
| 37 | G | 52.2 | Low | 50.6 | Low | 36 Ų | 36 | 95.7 Ų | 95.7 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A33 E34 G40 I41 | A33-G37 PolarHBondContact O-N 3.27Å; E34-G37 PolarHBondContact O-N 3.06Å; G37-G40 PolarHBondContact O-N 3.35Å; G37-I41 WeakPolarHBondContact O-CB 3.43Å; G37-I41 WeakPolarHBondContact O-CD1 3.28Å; G37-I41 WeakPolarHBondContact O-CG1 3.4Å; G37-I41 PolarHBondContact O-N 2.93Å |
| 38 | F | 54.6 | Low | 50.1 | Low | 129 Ų | 129 | 95 Ų | 95 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.5 | -40.8 | -179.5 | -169.8 | -101.4 | 0 | 0 | 0 | 111.6 | E34 G40 I41 L42 | E34-F38 WeakPolarHBondContact O-CA 3.21Å; E34-F38 WeakPolarHBondContact O-CB 3.35Å; E34-F38 PolarHBondContact O-N 2.93Å; F38-G40 VanDerWaalsContact C-N 3.33Å; F38-I41 PolarHBondContact O-N 3.32Å; F38-L42 HydrophobicContact CD1-CD1 4.43Å; F38-L42 HydrophobicContact CE1-CD1 3.72Å; F38-L42 HydrophobicContact CE1-CD2 4.45Å; F38-L42 HydrophobicContact CE2-CD1 4.35Å; F38-L42 HydrophobicContact CZ-CD1 3.67Å; F38-L42 WeakPolarHBondContact O-CA 3.38Å; F38-L42 WeakPolarHBondContact O-CB 3.49Å; F38-L42 PolarHBondContact O-N 3.47Å |
| 39 | L | 53.9 | Low | 49.7 | Very low | 118 Ų | 118 | 92.3 Ų | 92.3 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.2 | -33.3 | 171.7 | -73.8 | 168 | 0 | 0 | 0 | 112 | A35 G43 | A35-L39 WeakPolarHBondContact O-CA 3.41Å; A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 WeakPolarHBondContact O-CD1 3.32Å; A35-L39 WeakPolarHBondContact O-CG 3.47Å; A35-L39 PolarHBondContact O-N 2.82Å; L39-G43 WeakPolarHBondContact O-CA 3.49Å; L39-G43 PolarHBondContact O-N 2.71Å |
| 40 | G | 54.3 | Low | 49 | Very low | 39 Ų | 39 | 89 Ų | 89 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.1 | -42.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q36 G37 F38 S44 | Q36-G40 PolarHBondContact O-N 3.06Å; G37-G40 PolarHBondContact O-N 3.35Å; F38-G40 VanDerWaalsContact C-N 3.33Å; G40-S44 WeakPolarHBondContact O-CB 3.44Å; G40-S44 PolarHBondContact O-N 2.75Å; G40-S44 PolarHBondContact O-OG 3.43Å |
| 41 | I | 58 | Low | 48.6 | Very low | 109 Ų | 109 | 90.7 Ų | 90.7 | 56% | 0.559 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71 | -44.3 | 176.5 | -67.5 | 162.6 | 0 | 0 | 0 | 110.8 | G37 F38 S44 L45 | G37-I41 WeakPolarHBondContact O-CB 3.43Å; G37-I41 WeakPolarHBondContact O-CD1 3.28Å; G37-I41 WeakPolarHBondContact O-CG1 3.4Å; G37-I41 PolarHBondContact O-N 2.93Å; F38-I41 PolarHBondContact O-N 3.32Å; I41-S44 CarbonylContact O-C 3.54Å; I41-S44 PolarHBondContact O-N 3.34Å; I41-S44 VanDerWaalsContact O-N 3.16Å; I41-L45 WeakPolarHBondContact O-CB 3.13Å; I41-L45 PolarHBondContact O-N 2.97Å |
| 42 | L | 52 | Low | 48.2 | Very low | 67 Ų | 67 | 93.3 Ų | 93.3 | 35% | 0.351 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 176.7 | -141.8 | 85.3 | 0 | 0 | 0 | 110.3 | F38 S44 L45 M46 | F38-L42 HydrophobicContact CD1-CD1 4.43Å; F38-L42 HydrophobicContact CE1-CD1 3.72Å; F38-L42 HydrophobicContact CE1-CD2 4.45Å; F38-L42 HydrophobicContact CE2-CD1 4.35Å; F38-L42 HydrophobicContact CZ-CD1 3.67Å; F38-L42 WeakPolarHBondContact O-CA 3.38Å; F38-L42 WeakPolarHBondContact O-CB 3.49Å; F38-L42 PolarHBondContact O-N 3.47Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 2.76Å; L42-M46 WeakPolarHBondContact O-CA 3.09Å; L42-M46 WeakPolarHBondContact O-CB 3.45Å; L42-M46 PolarHBondContact O-N 2.69Å |
| 43 | G | 52.5 | Low | 47.7 | Very low | 48 Ų | 48 | 88.2 Ų | 88.2 | 50% | 0.495 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.9 | -38.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L39 G47 | L39-G43 WeakPolarHBondContact O-CA 3.49Å; L39-G43 PolarHBondContact O-N 2.71Å; G43-G47 VanDerWaalsContact O-CA 3.28Å; G43-G47 WeakPolarHBondContact O-CA 3.48Å; G43-G47 PolarHBondContact O-N 2.98Å |
| 44 | S | 56.8 | Low | 47.2 | Very low | 98 Ų | 98 | 88.5 Ų | 88.5 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.7 | -34.8 | 176.7 | -57 | 0 | 0 | 0 | 0 | 113.1 | G40 I41 L42 | G40-S44 WeakPolarHBondContact O-CB 3.44Å; G40-S44 PolarHBondContact O-N 2.75Å; G40-S44 PolarHBondContact O-OG 3.43Å; I41-S44 CarbonylContact O-C 3.54Å; I41-S44 PolarHBondContact O-N 3.34Å; I41-S44 VanDerWaalsContact O-N 3.16Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.16Å |
| 45 | L | 50.4 | Low | 47.3 | Very low | 137 Ų | 137 | 89 Ų | 89 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.5 | -41.7 | -176.2 | -165.9 | 76.7 | 0 | 0 | 0 | 111.8 | I41 L42 | I41-L45 WeakPolarHBondContact O-CB 3.13Å; I41-L45 PolarHBondContact O-N 2.97Å; L42-L45 PolarHBondContact O-N 2.76Å |
| 46 | M | 45.6 | Very low | 46.8 | Very low | 157 Ų | 157 | 89.1 Ų | 89.1 | 77% | 0.773 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -82.7 | -19.2 | 176.7 | -131.9 | -170.4 | 78.9 | 0 | 0 | 112 | L42 G48 | L42-M46 WeakPolarHBondContact O-CA 3.09Å; L42-M46 WeakPolarHBondContact O-CB 3.45Å; L42-M46 PolarHBondContact O-N 2.69Å; M46-G48 PolarHBondContact O-N 2.85Å |
| 47 | G | 43.4 | Very low | 46.7 | Very low | 51 Ų | 51 | 86.6 Ų | 86.6 | 53% | 0.526 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | 1.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G43 G49 | G43-G47 VanDerWaalsContact O-CA 3.28Å; G43-G47 WeakPolarHBondContact O-CA 3.48Å; G43-G47 PolarHBondContact O-N 2.98Å; G47-G49 PolarHBondContact O-N 3.34Å |
| 48 | G | 39.8 | Very low | 46.8 | Very low | 73 Ų | 73 | 92 Ų | 92 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M46 | M46-G48 PolarHBondContact O-N 2.85Š|
| 49 | G | 40.1 | Very low | 46.5 | Very low | 78 Ų | 78 | 93.8 Ų | 93.8 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 7.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | G47 | G47-G49 PolarHBondContact O-N 3.34Š|
| 50 | G | 34.8 | Very low | 45.8 | Very low | 60 Ų | 60 | 91.2 Ų | 91.2 | 62% | 0.619 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -132 | 93.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G52 | G50-G52 PolarHBondContact O-N 3.35Š|
| 51 | S | 43 | Very low | 45.1 | Very low | 129 Ų | 129 | 92.6 Ų | 92.6 | 90% | 0.902 | 68% | 0.675 | S | S | * | * | trans | -6.3 | 115.7 | 161.7 | 53.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 52 | G | 36.8 | Very low | 44.4 | Very low | 86 Ų | 86 | 91.9 Ų | 91.9 | 89% | 0.887 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 119.2 | 104.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G50 | G50-G52 PolarHBondContact O-N 3.35Š|
| 53 | G | 35.7 | Very low | 43.9 | Very low | 40 Ų | 40 | 92.3 Ų | 92.3 | 41% | 0.412 | 72% | 0.715 | S | S | . | * | trans | 127.8 | -6.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | L55 G56 S57 | G53-L55 PolarHBondContact O-N 2.93Å; G53-G56 PolarHBondContact O-N 2.77Å; G53-S57 PolarHBondContact O-N 3.07Å; G53-S57 PolarHBondContact O-OG 3.49Å | ||
| 54 | G | 39.7 | Very low | 43.3 | Very low | 70 Ų | 70 | 92.7 Ų | 92.7 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -12.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 55 | L | 48.1 | Very low | 42.8 | Very low | 144 Ų | 144 | 94.3 Ų | 94.3 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | -13 | 173.8 | -63.1 | 172.6 | 0 | 0 | 0 | 113.3 | G53 L59 | G53-L55 PolarHBondContact O-N 2.93Å; L55-L59 PolarHBondContact O-N 3.01Å |
| 56 | G | 39.9 | Very low | 42.7 | Very low | 46 Ų | 46 | 96.4 Ų | 96.4 | 47% | 0.474 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -73.8 | -34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G53 L58 L59 G60 | G53-G56 PolarHBondContact O-N 2.77Å; G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 3.38Å; G56-L59 PolarHBondContact O-N 2.68Å; G56-G60 WeakPolarHBondContact O-CA 3.18Å; G56-G60 PolarHBondContact O-N 2.79Å |
| 57 | S | 50.2 | Low | 42.5 | Very low | 104 Ų | 104 | 91.6 Ų | 91.6 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -75.9 | -20.1 | -179.9 | -49 | 0 | 0 | 0 | 0 | 113.5 | G53 | G53-S57 PolarHBondContact O-N 3.07Å; G53-S57 PolarHBondContact O-OG 3.49Å |
| 58 | L | 54.4 | Low | 42.7 | Very low | 150 Ų | 150 | 95.7 Ų | 95.7 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -88.4 | -22 | 176.3 | -68.8 | 170.4 | 0 | 0 | 0 | 112.5 | G56 | G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 3.38Å |
| 59 | L | 47.4 | Very low | 42.9 | Very low | 165 Ų | 165 | 100 Ų | 100 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -120.2 | -19.7 | -172.9 | -153.9 | 69.8 | 0 | 0 | 0 | 115 | L55 G56 | L55-L59 PolarHBondContact O-N 3.01Å; G56-L59 PolarHBondContact O-N 2.68Å |
| 60 | G | 38.4 | Very low | 42.8 | Very low | 64 Ų | 64 | 97 Ų | 97 | 66% | 0.66 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -112.9 | -2.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | G56 | G56-G60 WeakPolarHBondContact O-CA 3.18Å; G56-G60 PolarHBondContact O-N 2.79Å |
| 61 | G | 40.4 | Very low | 43.2 | Very low | 68 Ų | 68 | 97.8 Ų | 97.8 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | -102.1 | 72.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | G63 | G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 2.98Å | ||
| 62 | G | 42.5 | Very low | 43.4 | Very low | 94 Ų | 94 | 95.1 Ų | 95.1 | 97% | 0.969 | 69% | 0.694 | S | S | * | * | trans | -69.8 | 65.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 63 | G | 41.4 | Very low | 43.9 | Very low | 76 Ų | 76 | 92.2 Ų | 92.2 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -171.5 | 81.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G61 | G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 2.98Å |
| 64 | G | 41.4 | Very low | 44.7 | Very low | 57 Ų | 57 | 96.3 Ų | 96.3 | 59% | 0.588 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 169.4 | -18.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | L66 G67 | G64-L66 PolarHBondContact O-N 3.19Å; G64-G67 PolarHBondContact O-N 3.41Å |
| 65 | L | 45.6 | Very low | 44.9 | Very low | 132 Ų | 132 | 98.8 Ų | 98.8 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -2.8 | 165.5 | -83.5 | 160.6 | 0 | 0 | 0 | 113.5 | ||
| 66 | L | 47.9 | Very low | 44.7 | Very low | 180 Ų | 180 | 94.3 Ų | 94.3 | 94% | 0.942 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -7.5 | 178.3 | -133.2 | 76.7 | 0 | 0 | 0 | 114.8 | G64 | G64-L66 PolarHBondContact O-N 3.19Š|
| 67 | G | 41.8 | Very low | 44.9 | Very low | 56 Ų | 56 | 95.3 Ų | 95.3 | 58% | 0.577 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -32.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G64 | G64-G67 PolarHBondContact O-N 3.41Š|
| 68 | N | 47.1 | Very low | 44.6 | Very low | 138 Ų | 138 | 97.1 Ų | 97.1 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -130.6 | 14.1 | -172.9 | -102.9 | -35.4 | 0 | 0 | 0 | 114.7 | G70 | N68-G70 PolarHBondContact O-N 2.69Š|
| 69 | R | 44.7 | Very low | 44.2 | Very low | 164 Ų | 164 | 96.9 Ų | 96.9 | 62% | 0.619 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -89.3 | 65.1 | 147.6 | -101.3 | -175.8 | -168.2 | 176.1 | 4.3 | 107.1 | G73 L74 | R69-G73 CarbonylContact C-O 2.88Å; R69-G73 WeakPolarHBondContact CA-O 3.01Å; R69-G73 VanDerWaalsContact CB-O 3.25Å; R69-G73 WeakPolarHBondContact CB-O 3.41Å; R69-G73 WeakPolarHBondContact CG-O 2.96Å; R69-G73 CarbonylContact O-C 3.4Å; R69-L74 HydrophobicContact CB-CD1 4.35Å; R69-L74 HydrophobicContact CB-CG 4.05Å; R69-L74 WeakPolarHBondContact O-CB 3.44Å; R69-L74 WeakPolarHBondContact O-CD1 3.25Å; R69-L74 WeakPolarHBondContact O-CG 3.22Å; R69-L74 PolarHBondContact O-N 3.34Å |
| 70 | G | 38.4 | Very low | 44.1 | Very low | 14 Ų | 14 | 93.8 Ų | 93.8 | 14% | 0.144 | 66% | 0.661 | C | S | . | * | S | Bend | trans | -153.5 | -84 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N68 G72 G73 L74 L75 G76 | N68-G70 PolarHBondContact O-N 2.69Å; G70-G72 PolarHBondContact O-N 2.81Å; G70-G73 VanDerWaalsContact C-N 3.29Å; G70-G73 VanDerWaalsContact N-CA 3.25Å; G70-G73 PolarHBondContact N-O 3.2Å; G70-G73 PolarHBondContact O-N 3.41Å; G70-G73 VanDerWaalsContact O-N 3.07Å; G70-L74 PolarHBondContact O-N 3.05Å; G70-L75 WeakPolarHBondContact O-CA 3.4Å; G70-L75 WeakPolarHBondContact O-CB 3.14Å; G70-L75 PolarHBondContact O-N 3.33Å; G70-G76 PolarHBondContact O-N 2.89Å |
| 71 | G | 41.8 | Very low | 44.3 | Very low | 77 Ų | 77 | 97.7 Ų | 97.7 | 79% | 0.794 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 36.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 72 | G | 48.9 | Very low | 44.5 | Very low | 72 Ų | 72 | 103.5 Ų | 103.5 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.1 | 10.4 | -143.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G70 | G70-G72 PolarHBondContact O-N 2.81Š|
| 73 | G | 45.8 | Very low | 44.4 | Very low | 25 Ų | 25 | 109.5 Ų | 109.5 | 26% | 0.258 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -173.4 | 16.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | R69 G70 | R69-G73 CarbonylContact C-O 2.88Å; R69-G73 WeakPolarHBondContact CA-O 3.01Å; R69-G73 VanDerWaalsContact CB-O 3.25Å; R69-G73 WeakPolarHBondContact CB-O 3.41Å; R69-G73 WeakPolarHBondContact CG-O 2.96Å; R69-G73 CarbonylContact O-C 3.4Å; G70-G73 VanDerWaalsContact C-N 3.29Å; G70-G73 VanDerWaalsContact N-CA 3.25Å; G70-G73 PolarHBondContact N-O 3.2Å; G70-G73 PolarHBondContact O-N 3.41Å; G70-G73 VanDerWaalsContact O-N 3.07Å |
| 74 | L | 53.2 | Low | 44.6 | Very low | 126 Ų | 126 | 108.2 Ų | 108.2 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.9 | -22.3 | 156.7 | -78.1 | 179.9 | 0 | 0 | 0 | 110.9 | R69 G70 G76 | R69-L74 HydrophobicContact CB-CD1 4.35Å; R69-L74 HydrophobicContact CB-CG 4.05Å; R69-L74 WeakPolarHBondContact O-CB 3.44Å; R69-L74 WeakPolarHBondContact O-CD1 3.25Å; R69-L74 WeakPolarHBondContact O-CG 3.22Å; R69-L74 PolarHBondContact O-N 3.34Å; G70-L74 PolarHBondContact O-N 3.05Å; L74-G76 VanDerWaalsContact C-N 3.31Å |
| 75 | L | 44.1 | Very low | 44.6 | Very low | 122 Ų | 122 | 110.7 Ų | 110.7 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -77.1 | -18.5 | 163.3 | -66 | 170.7 | 0 | 0 | 0 | 112.3 | G70 G77 L78 | G70-L75 WeakPolarHBondContact O-CA 3.4Å; G70-L75 WeakPolarHBondContact O-CB 3.14Å; G70-L75 PolarHBondContact O-N 3.33Å; L75-G77 PolarHBondContact O-N 2.73Å; L75-L78 PolarHBondContact O-N 3Å |
| 76 | G | 44.2 | Very low | 44.6 | Very low | 50 Ų | 50 | 111.3 Ų | 111.3 | 52% | 0.515 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -66.9 | -17.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.7 | G70 L74 L78 | G70-G76 PolarHBondContact O-N 2.89Å; L74-G76 VanDerWaalsContact C-N 3.31Å; G76-L78 VanDerWaalsContact C-N 3.3Å |
| 77 | G | 43.3 | Very low | 44.4 | Very low | 68 Ų | 68 | 106.2 Ų | 106.2 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -78.5 | -11.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L75 | L75-G77 PolarHBondContact O-N 2.73Š|
| 78 | L | 44.7 | Very low | 44.7 | Very low | 142 Ų | 142 | 110 Ų | 110 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -115.6 | 15.3 | 180 | -84.9 | 158.4 | 0 | 0 | 0 | 113.1 | L75 G76 P80 | L75-L78 PolarHBondContact O-N 3Å; G76-L78 VanDerWaalsContact C-N 3.3Å; L78-P80 WeakPolarHBondContact O-CD 3.33Å |
| 79 | L | 45.5 | Very low | 44.4 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 75% | 0.754 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -86.2 | 93.9 | 150.1 | -90.2 | 79.9 | 0 | 0 | 0 | 107.2 | N81 | L79-N81 PolarHBondContact O-N 3.14Š|
| 80 | P | 45.3 | Very low | 44.5 | Very low | 101 Ų | 101 | 109.5 Ų | 109.5 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | trans | -64.5 | 127.3 | 166.7 | 28.4 | -32.7 | 0 | 0 | 0 | 108.1 | L78 | L78-P80 WeakPolarHBondContact O-CD 3.33Š| ||
| 81 | N | 43.1 | Very low | 44.8 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | trans | 61.8 | 104.8 | 150.3 | -64.8 | -42.4 | 0 | 0 | 0 | 117.6 | L79 | L79-N81 PolarHBondContact O-N 3.14Š| ||
| 82 | R | 44.2 | Very low | 44.8 | Very low | 191 Ų | 191 | 120.6 Ų | 120.6 | 72% | 0.721 | 67% | 0.669 | S | S | * | * | 171.3 | 93 | 107.1 | -93.9 | 177.8 | -164.4 | -175.3 | 3.8 | 110.7 | G84 I85 | R82-G84 PolarHBondContact O-N 2.87Å; R82-I85 HydrophobicContact CB-CG1 4.27Å; R82-I85 HydrophobicContact CG-CG1 4.49Å | |||
| 83 | Q | 39.6 | Very low | 44.6 | Very low | 219 Ų | 219 | 124.3 Ų | 124.3 | 100% | 1.023 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 46.5 | 139.8 | -80.7 | 171.2 | -27.6 | 0 | 0 | 111 | ||
| 84 | G | 45 | Very low | 45 | Very low | 49 Ų | 49 | 127.7 Ų | 127.7 | 51% | 0.505 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -160.6 | 22.1 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R82 | R82-G84 PolarHBondContact O-N 2.87Š|
| 85 | I | 42.9 | Very low | 44.8 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 56% | 0.564 | 70% | 0.698 | S | S | * | * | trans | -113.4 | 61.1 | 161 | -48.2 | -177.9 | 0 | 0 | 0 | 107.6 | R82 S87 | R82-I85 HydrophobicContact CB-CG1 4.27Å; R82-I85 HydrophobicContact CG-CG1 4.49Å; I85-S87 WeakPolarHBondContact CG2-OG 3.24Å; I85-S87 PolarHBondContact O-N 3.33Å | ||
| 86 | N | 44 | Very low | 45 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | trans | -63 | 66.2 | 140 | -88.9 | -20.6 | 0 | 0 | 0 | 107.2 | N88 | N86-N88 PolarHBondContact O-N 2.94Š| ||
| 87 | S | 44.1 | Very low | 45 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 51% | 0.51 | 71% | 0.711 | S | S | . | * | trans | -77.6 | 74.8 | 160.4 | -85.3 | 0 | 0 | 0 | 0 | 106.7 | I85 Y89 | I85-S87 WeakPolarHBondContact CG2-OG 3.24Å; I85-S87 PolarHBondContact O-N 3.33Å; S87-Y89 PolarHBondContact O-N 2.75Å | ||
| 88 | N | 48 | Very low | 45 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -67.7 | 14 | 151.4 | -84.6 | -13.4 | 0 | 0 | 0 | 111.5 | N86 | N86-N88 PolarHBondContact O-N 2.94Š| ||
| 89 | Y | 42.2 | Very low | 44.9 | Very low | 191 Ų | 191 | 142 Ų | 142 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | -134.4 | 95.3 | 175.5 | -59.1 | -77 | 0 | 0 | 0 | 106 | S87 | S87-Y89 PolarHBondContact O-N 2.75Š| ||
| 90 | D | 46.9 | Very low | 44.9 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 54% | 0.535 | 71% | 0.711 | S | S | . | * | trans | -167 | 43.5 | 141.8 | -81.4 | -22.1 | 0 | 0 | 0 | 107.4 | Y92 | D90-Y92 HydrophobicContact CB-CD2 3.83Å; D90-Y92 HydrophobicContact CB-CE2 3.5Å; D90-Y92 PolarHBondContact O-N 3.18Å; D90-Y92 WeakPolarHBondContact OD1-CE2 3.32Å; D90-Y92 PolarHBondContact OD1-OH 3.14Å | ||
| 91 | N | 44.6 | Very low | 44.8 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | trans | -71.4 | 79.6 | 147 | -80.9 | -14.4 | 0 | 0 | 0 | 104.7 | D93 | N91-D93 PolarHBondContact O-N 3.03Å; N91-D93 VanDerWaalsContact O-N 3.12Å | ||
| 92 | Y | 40.7 | Very low | 44.9 | Very low | 166 Ų | 166 | 142 Ų | 142 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | trans | -62.3 | 112.3 | 159 | -69.8 | -80.6 | 0 | 0 | 0 | 105.3 | D90 D94 | D90-Y92 HydrophobicContact CB-CD2 3.83Å; D90-Y92 HydrophobicContact CB-CE2 3.5Å; D90-Y92 PolarHBondContact O-N 3.18Å; D90-Y92 WeakPolarHBondContact OD1-CE2 3.32Å; D90-Y92 PolarHBondContact OD1-OH 3.14Å; Y92-D94 PolarHBondContact O-N 3.09Å | ||
| 93 | D | 45.7 | Very low | 44.9 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -61.9 | 93.1 | 159.3 | -74.2 | -38.6 | 0 | 0 | 0 | 105.7 | N91 Y95 | N91-D93 PolarHBondContact O-N 3.03Å; N91-D93 VanDerWaalsContact O-N 3.12Å; D93-Y95 PolarHBondContact O-N 2.97Å; D93-Y95 VanDerWaalsContact O-N 3.1Å | ||
| 94 | D | 53.1 | Low | 45.4 | Very low | 96 Ų | 96 | 137 Ų | 137 | 51% | 0.513 | 70% | 0.702 | S | S | . | * | trans | -55.6 | 123.4 | 167.1 | -72.1 | -31.9 | 0 | 0 | 0 | 106.1 | Y92 N96 G97 | Y92-D94 PolarHBondContact O-N 3.09Å; D94-N96 PolarHBondContact O-N 3.29Å; D94-G97 PolarHBondContact O-N 3.2Å | ||
| 95 | Y | 49.5 | Very low | 45.7 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 95% | 0.949 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | 2.1 | -170.3 | -84.7 | -89.6 | 0 | 0 | 0 | 116.8 | D93 | D93-Y95 PolarHBondContact O-N 2.97Å; D93-Y95 VanDerWaalsContact O-N 3.1Å |
| 96 | N | 49.2 | Very low | 46.2 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 8.4 | 177.9 | -109.3 | -8.3 | 0 | 0 | 0 | 114.7 | D94 M98 | D94-N96 PolarHBondContact O-N 3.29Å; N96-M98 PolarHBondContact O-N 3.02Å |
| 97 | G | 44 | Very low | 47.1 | Very low | 69 Ų | 69 | 145.8 Ų | 145.8 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | 62.8 | 4.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D94 R99 | D94-G97 PolarHBondContact O-N 3.2Å; G97-R99 PolarHBondContact O-N 3.25Å | ||
| 98 | M | 41.9 | Very low | 48.4 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | trans | -73.6 | 91.7 | 166.4 | -64.2 | -173.2 | -171.1 | 0 | 0 | 104.5 | N96 T100 | N96-M98 PolarHBondContact O-N 3.02Å; M98-T100 PolarHBondContact O-N 2.74Å | ||
| 99 | R | 43 | Very low | 49.6 | Very low | 228 Ų | 228 | 143.4 Ų | 143.4 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -47.3 | 105.7 | 151.8 | -61.3 | 179.3 | -158.8 | 179.8 | 5 | 103.1 | G97 R101 | G97-R99 PolarHBondContact O-N 3.25Å; R99-R101 PolarHBondContact O-N 3.47Å | ||
| 100 | T | 44.7 | Very low | 51.4 | Low | 109 Ų | 109 | 141 Ų | 141 | 67% | 0.669 | 68% | 0.679 | S | S | * | * | trans | -62.7 | 87.7 | 163.4 | -49.8 | 0 | 0 | 0 | 0 | 101 | M98 G102 | M98-T100 PolarHBondContact O-N 2.74Å; T100-G102 PolarHBondContact O-N 3.42Å | ||
| 101 | R | 45 | Very low | 53.1 | Low | 219 Ų | 219 | 137.5 Ų | 137.5 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | trans | -55.9 | 91.1 | 164.7 | -87.5 | -177 | -169.9 | 161.9 | 4 | 99.1 | R99 R103 | R99-R101 PolarHBondContact O-N 3.47Å; R101-R103 PolarHBondContact O-N 3.32Å | ||
| 102 | G | 44.1 | Very low | 54.9 | Low | 61 Ų | 61 | 140.5 Ų | 140.5 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | trans | -43.4 | 113.7 | 159 | 0 | 0 | 0 | 0 | 0 | 100.5 | T100 G104 | T100-G102 PolarHBondContact O-N 3.42Å; G102-G104 PolarHBondContact O-N 3.35Å | ||
| 103 | R | 44.8 | Very low | 57 | Low | 247 Ų | 247 | 142 Ų | 142 | 93% | 0.932 | 67% | 0.67 | S | S | * | * | trans | -65.1 | 57.8 | 164.3 | -63 | -176.9 | -176.3 | 179.3 | 1.2 | 104.5 | R101 R105 | R101-R103 PolarHBondContact O-N 3.32Å; R103-R105 PolarHBondContact O-N 3.06Å | ||
| 104 | G | 49 | Very low | 58.8 | Low | 59 Ų | 59 | 139.8 Ų | 139.8 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | trans | -76.4 | 88.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 100.3 | G102 G106 | G102-G104 PolarHBondContact O-N 3.35Å; G104-G106 PolarHBondContact O-N 3.18Å | ||
| 105 | R | 51.9 | Low | 60.3 | Low | 232 Ų | 232 | 140.7 Ų | 140.7 | 88% | 0.875 | 66% | 0.663 | S | S | * | * | trans | -0 | 102.1 | 158.7 | -61.2 | -179.8 | 179.1 | -173.2 | -0.9 | 108 | R103 R107 | R103-R105 PolarHBondContact O-N 3.06Å; R105-R107 PolarHBondContact O-N 2.74Å | ||
| 106 | G | 54.4 | Low | 61.8 | Low | 36 Ų | 36 | 135.1 Ų | 135.1 | 37% | 0.371 | 65% | 0.646 | S | S | . | * | trans | -38.4 | 129.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G104 G108 | G104-G106 PolarHBondContact O-N 3.18Å; G106-G108 PolarHBondContact O-N 3.3Å | ||
| 107 | R | 63.2 | Low | 63.2 | Low | 220 Ų | 220 | 134.7 Ų | 134.7 | 83% | 0.83 | 64% | 0.635 | S | S | * | * | trans | -47.8 | 122.3 | -179.4 | -68.8 | -177.1 | -177.7 | -163.2 | 0.5 | 105.5 | R105 Y120 | R105-R107 PolarHBondContact O-N 2.74Å; R107-Y120 HydrophobicContact CB-CD2 3.95Å; R107-Y120 WeakPolarHBondContact O-CB 3.26Å; R107-Y120 WeakPolarHBondContact O-CD2 3.19Å; R107-Y120 PolarHBondContact O-N 3.29Å | ||
| 108 | G | 71.6 | Confident | 64.7 | Low | 20 Ų | 20 | 134.4 Ų | 134.4 | 21% | 0.206 | 62% | 0.615 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.3 | 148.3 | -177 | 0 | 0 | 0 | 0 | 0 | 108.9 | G106 Y117 E118 | G106-G108 PolarHBondContact O-N 3.3Å; G108-Y117 VanDerWaalsContact C-CZ 3.49Å; G108-Y117 WeakPolarHBondContact CA-OH 3.44Å; G108-Y117 PolarHBondContact O-OH 3.07Å; G108-E118 CarbonylContact C-O 3.33Å; G108-E118 WeakPolarHBondContact CA-O 3.34Å |
| 109 | R | 72.3 | Confident | 66.5 | Low | 139 Ų | 139 | 133.2 Ų | 133.2 | 53% | 0.525 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.7 | 174.5 | 63.8 | 165.9 | 174 | -156.6 | 5.1 | 109.4 | N111 E118 Y120 | R109-N111 PolarHBondContact O-N 2.87Å; R109-E118 PolarHBondContact N-O 3.17Å; R109-E118 IonicContact NE-OE2 3.14Å; R109-E118 PolarHBondContact O-N 3.36Å; R109-Y120 WeakPolarHBondContact CD-OH 3.47Å; R109-Y120 HydrophobicContact CG-CE1 4.35Å; R109-Y120 HydrophobicContact CG-CE2 4.48Å; R109-Y120 VanDerWaalsContact CG-OH 3.25Å; R109-Y120 WeakPolarHBondContact CG-OH 3.33Å; R109-Y120 PolarHBondContact NE-OH 2.9Å |
| 110 | W | 79.9 | Confident | 67.7 | Low | 142 Ų | 142 | 131.5 Ų | 131.5 | 54% | 0.538 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 113.7 | 167.9 | -170.8 | -92.1 | 0 | 0 | 0 | 109.3 | R112 N115 Y117 | W110-R112 PolarHBondContact O-N 3.4Å; W110-N115 VanDerWaalsContact CZ2-OD1 3.28Å; W110-N115 WeakPolarHBondContact CZ2-OD1 3.39Å; W110-Y117 HydrophobicContact CB-CD2 4.32Å; W110-Y117 AromaticContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CG 4.41Å |
| 111 | N | 81.8 | Confident | 68.8 | Low | 26 Ų | 26 | 132.6 Ų | 132.6 | 14% | 0.139 | 60% | 0.603 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 106.2 | 172 | -172.2 | -13.1 | 0 | 0 | 0 | 109.2 | R109 F113 N115 Q116 E118 | R109-N111 PolarHBondContact O-N 2.87Å; N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.27Å; N111-F113 WeakPolarHBondContact OD1-CB 3.4Å; N111-F113 WeakPolarHBondContact OD1-CD2 3.4Å; N111-F113 PolarHBondContact OD1-N 3.37Å; N111-N115 VanDerWaalsContact O-CA 3.32Å; N111-N115 WeakPolarHBondContact O-CA 3.38Å; N111-N115 PolarHBondContact O-N 3.35Å; N111-Q116 PolarHBondContact N-O 3.31Å; N111-Q116 PolarHBondContact O-N 3.18Å; N111-E118 HydrophobicContact CB-CG 4.06Å; N111-E118 WeakPolarHBondContact CB-OE1 3.48Å; N111-E118 PolarHBondContact ND2-OE1 3.14Å |
| 112 | R | 82.7 | Confident | 70.1 | Confident | 220 Ų | 220 | 128.1 Ų | 128.1 | 83% | 0.83 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -24.2 | 178.3 | -72.7 | -173.6 | -83.8 | -176.8 | -5.1 | 113.5 | W110 | W110-R112 PolarHBondContact O-N 3.4Š|
| 113 | F | 84.4 | Confident | 71.5 | Confident | 197 Ų | 197 | 131.8 Ų | 131.8 | 86% | 0.864 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -42.6 | -179.7 | -67.9 | -80.3 | 0 | 0 | 0 | 111.7 | N111 | N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.27Å; N111-F113 WeakPolarHBondContact OD1-CB 3.4Å; N111-F113 WeakPolarHBondContact OD1-CD2 3.4Å; N111-F113 PolarHBondContact OD1-N 3.37Å |
| 114 | N | 85 | Confident | 73.1 | Confident | 103 Ų | 103 | 125 Ų | 125 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -0.4 | 179 | -65.4 | -21.5 | 0 | 0 | 0 | 113 | Q116 | N114-Q116 WeakPolarHBondContact O-CG 3.43Å; N114-Q116 PolarHBondContact O-N 3.47Å |
| 115 | N | 83.7 | Confident | 74.6 | Confident | 115 Ų | 115 | 129.1 Ų | 129.1 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.2 | 41.3 | -173.7 | -160.5 | 42.3 | 0 | 0 | 0 | 113.4 | W110 N111 | W110-N115 VanDerWaalsContact CZ2-OD1 3.28Å; W110-N115 WeakPolarHBondContact CZ2-OD1 3.39Å; N111-N115 VanDerWaalsContact O-CA 3.32Å; N111-N115 WeakPolarHBondContact O-CA 3.38Å; N111-N115 PolarHBondContact O-N 3.35Å |
| 116 | Q | 80.5 | Confident | 76.1 | Confident | 126 Ų | 126 | 122.3 Ų | 122.3 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147.9 | -175.6 | -76.3 | 177.7 | -12.6 | 0 | 0 | 110.8 | N111 N114 | N111-Q116 PolarHBondContact N-O 3.31Å; N111-Q116 PolarHBondContact O-N 3.18Å; N114-Q116 WeakPolarHBondContact O-CG 3.43Å; N114-Q116 PolarHBondContact O-N 3.47Å |
| 117 | Y | 79.2 | Confident | 77.7 | Confident | 124 Ų | 124 | 128.4 Ų | 128.4 | 49% | 0.486 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.8 | 174.3 | -167.3 | -103.7 | 0 | 0 | 0 | 109.9 | G108 W110 N119 | G108-Y117 VanDerWaalsContact C-CZ 3.49Å; G108-Y117 WeakPolarHBondContact CA-OH 3.44Å; G108-Y117 PolarHBondContact O-OH 3.07Å; W110-Y117 HydrophobicContact CB-CD2 4.32Å; W110-Y117 AromaticContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CG 4.41Å; Y117-N119 VanDerWaalsContact CE1-OD1 3.27Å; Y117-N119 WeakPolarHBondContact CE1-OD1 3.08Å |
| 118 | E | 76.4 | Confident | 78.8 | Confident | 63 Ų | 63 | 121.4 Ų | 121.4 | 29% | 0.294 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.5 | 178.6 | -68.7 | 175.3 | 177.9 | 0 | 0 | 109.6 | G108 R109 N111 | G108-E118 CarbonylContact C-O 3.33Å; G108-E118 WeakPolarHBondContact CA-O 3.34Å; R109-E118 PolarHBondContact N-O 3.17Å; R109-E118 IonicContact NE-OE2 3.14Å; R109-E118 PolarHBondContact O-N 3.36Å; N111-E118 HydrophobicContact CB-CG 4.06Å; N111-E118 WeakPolarHBondContact CB-OE1 3.48Å; N111-E118 PolarHBondContact ND2-OE1 3.14Å |
| 119 | N | 79.9 | Confident | 79.4 | Confident | 112 Ų | 112 | 129.8 Ų | 129.8 | 60% | 0.599 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.1 | 170 | -58.9 | -49.8 | 0 | 0 | 0 | 109.2 | Y117 | Y117-N119 VanDerWaalsContact CE1-OD1 3.27Å; Y117-N119 WeakPolarHBondContact CE1-OD1 3.08Å |
| 120 | Y | 66.8 | Low | 80 | Confident | 191 Ų | 191 | 129 Ų | 129 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | trans | -79.2 | 0 | 171.4 | -59.9 | -58.2 | 0 | 0 | 0 | 112.4 | R107 R109 | R107-Y120 HydrophobicContact CB-CD2 3.95Å; R107-Y120 WeakPolarHBondContact O-CB 3.26Å; R107-Y120 WeakPolarHBondContact O-CD2 3.19Å; R107-Y120 PolarHBondContact O-N 3.29Å; R109-Y120 WeakPolarHBondContact CD-OH 3.47Å; R109-Y120 HydrophobicContact CG-CE1 4.35Å; R109-Y120 HydrophobicContact CG-CE2 4.48Å; R109-Y120 VanDerWaalsContact CG-OH 3.25Å; R109-Y120 WeakPolarHBondContact CG-OH 3.33Å; R109-Y120 PolarHBondContact NE-OH 2.9Å |
Retrieved 120 of 120 residues in 43.4 ms
(Link to these results)