| 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 | 56.8 | Low | 57.6 | Low | 237 Ų | 237 | 126.3 Ų | 126.3 | 100% | 1.167 | 75% | 0.748 | S | S | * | * | 0 | 107.6 | 0 | -61.7 | -178.4 | -176.2 | 0 | 0 | 104.9 | |||||
| 2 | S | 56.4 | Low | 57.3 | Low | 128 Ų | 128 | 123.4 Ų | 123.4 | 90% | 0.895 | 74% | 0.739 | S | S | * | * | trans | -95 | 106 | -177.5 | -61.4 | 0 | 0 | 0 | 0 | 107.8 | G4 | S2-G4 PolarHBondContact O-N 2.93Š| ||
| 3 | E | 57.7 | Low | 57.1 | Low | 196 Ų | 196 | 121 Ų | 121 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | trans | -72.9 | 103.9 | 174 | -61.8 | 173.7 | 149.3 | 0 | 0 | 107.1 | S5 | E3-S5 PolarHBondContact O-N 2.93Š| ||
| 4 | G | 53.9 | Low | 56.7 | Low | 69 Ų | 69 | 124.6 Ų | 124.6 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -72.9 | 114.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S2 V6 | S2-G4 PolarHBondContact O-N 2.93Å; G4-V6 PolarHBondContact O-N 2.96Å | ||
| 5 | S | 60.1 | Low | 56.7 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -67.5 | 112.2 | 172.7 | -164.1 | 0 | 0 | 0 | 0 | 109 | E3 | E3-S5 PolarHBondContact O-N 2.93Š| ||
| 6 | V | 61.3 | Low | 56.1 | Low | 131 Ų | 131 | 124.6 Ų | 124.6 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | -78.7 | 124.5 | 167.6 | -69 | 0 | 0 | 0 | 0 | 108.2 | G4 | G4-V6 PolarHBondContact O-N 2.96Š| ||
| 7 | N | 60.5 | Low | 55.7 | Low | 86 Ų | 86 | 124.5 Ų | 124.5 | 46% | 0.46 | 74% | 0.737 | S | S | . | * | trans | -77 | 140.5 | 179.6 | -168 | 22.6 | 0 | 0 | 0 | 109.8 | E9 D10 | N7-E9 VanDerWaalsContact ND2-CD 3.3Å; N7-E9 PolarHBondContact ND2-OE1 2.93Å; N7-E9 PolarHBondContact O-N 2.73Å; N7-E9 PolarHBondContact OD1-OE2 3.13Å; N7-D10 WeakPolarHBondContact O-CB 3.26Å; N7-D10 PolarHBondContact O-N 2.95Å | ||
| 8 | A | 60.5 | Low | 55.1 | Low | 66 Ų | 66 | 124.9 Ų | 124.9 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | -22.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D10 V11 | A8-D10 VanDerWaalsContact C-N 3.29Å; A8-D10 PolarHBondContact O-N 3.33Å; A8-V11 WeakPolarHBondContact O-CG2 3.34Å; A8-V11 PolarHBondContact O-N 3.18Å |
| 9 | E | 57.4 | Low | 54.9 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 59% | 0.589 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -23 | 172.5 | -72.2 | 92.5 | 91.4 | 0 | 0 | 114.4 | N7 V11 S12 | N7-E9 VanDerWaalsContact ND2-CD 3.3Å; N7-E9 PolarHBondContact ND2-OE1 2.93Å; N7-E9 PolarHBondContact O-N 2.73Å; N7-E9 PolarHBondContact OD1-OE2 3.13Å; E9-V11 VanDerWaalsContact C-N 3.34Å; E9-S12 PolarHBondContact O-N 2.9Å |
| 10 | D | 55.3 | Low | 54.9 | Low | 121 Ų | 121 | 124 Ų | 124 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -33.1 | 177.6 | -126.9 | -76.7 | 0 | 0 | 0 | 111 | N7 A8 S12 | N7-D10 WeakPolarHBondContact O-CB 3.26Å; N7-D10 PolarHBondContact O-N 2.95Å; A8-D10 VanDerWaalsContact C-N 3.29Å; A8-D10 PolarHBondContact O-N 3.33Å; D10-S12 PolarHBondContact O-N 3.13Å |
| 11 | V | 53.8 | Low | 54.7 | Low | 106 Ų | 106 | 124.9 Ų | 124.9 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -16.9 | 178.6 | -141.7 | 0 | 0 | 0 | 0 | 112.7 | A8 E9 S13 | A8-V11 WeakPolarHBondContact O-CG2 3.34Å; A8-V11 PolarHBondContact O-N 3.18Å; E9-V11 VanDerWaalsContact C-N 3.34Å; V11-S13 VanDerWaalsContact C-N 3.33Å |
| 12 | S | 54.6 | Low | 54.6 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -8 | -176.3 | -63.9 | 0 | 0 | 0 | 0 | 113.8 | E9 D10 | E9-S12 PolarHBondContact O-N 2.9Å; D10-S12 PolarHBondContact O-N 3.13Å |
| 13 | S | 54.1 | Low | 54.6 | Low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -99.8 | -9 | -176.8 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | V11 | V11-S13 VanDerWaalsContact C-N 3.33Š|
| 14 | E | 51.8 | Low | 54.2 | Low | 172 Ų | 172 | 118.3 Ų | 118.3 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -97 | 7.1 | -174.7 | -78 | -164.8 | 93.8 | 0 | 0 | 115.7 | S16 | E14-S16 PolarHBondContact O-N 3.4Å; E14-S16 VanDerWaalsContact O-N 3.13Å | ||
| 15 | I | 55.8 | Low | 54.1 | Low | 153 Ų | 153 | 120.4 Ų | 120.4 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -88.3 | 59.7 | 166 | -168.7 | 145.1 | 0 | 0 | 0 | 111.3 | T17 | I15-T17 PolarHBondContact O-N 3.41Š| ||
| 16 | S | 47.8 | Very low | 53.6 | Low | 95 Ų | 95 | 121.6 Ų | 121.6 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | trans | -86.6 | 92.5 | 168.2 | -78.7 | 0 | 0 | 0 | 0 | 110.4 | E14 E18 | E14-S16 PolarHBondContact O-N 3.4Å; E14-S16 VanDerWaalsContact O-N 3.13Å; S16-E18 PolarHBondContact O-N 2.94Å | ||
| 17 | T | 49.1 | Very low | 53.1 | Low | 123 Ų | 123 | 121 Ų | 121 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 43.3 | 76.4 | 136.2 | 58.4 | 0 | 0 | 0 | 0 | 118.6 | I15 | I15-T17 PolarHBondContact O-N 3.41Š|
| 18 | E | 45.9 | Very low | 52.8 | Low | 133 Ų | 133 | 124.1 Ų | 124.1 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | trans | -149.7 | 28.7 | 141.2 | -146.2 | -171.4 | 67.1 | 0 | 0 | 113.9 | S16 S20 K21 | S16-E18 PolarHBondContact O-N 2.94Å; E18-S20 PolarHBondContact O-N 2.82Å; E18-K21 HydrophobicContact CG-CD 4.37Å; E18-K21 IonicContact OE2-NZ 2.75Å; E18-K21 PolarHBondContact OE2-NZ 3.45Å | ||
| 19 | S | 51.2 | Low | 52.5 | Low | 127 Ų | 127 | 125.9 Ų | 125.9 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 18.1 | 164.4 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 20 | S | 54.2 | Low | 52.3 | Low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 9.7 | -167.1 | -52 | 0 | 0 | 0 | 0 | 115 | E18 | E18-S20 PolarHBondContact O-N 2.82Š|
| 21 | K | 51.2 | Low | 52.2 | Low | 144 Ų | 144 | 121.5 Ų | 121.5 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -131.4 | 7.7 | -170 | -75.3 | 174.6 | -172.6 | 161.1 | 0 | 117.7 | E18 | E18-K21 HydrophobicContact CG-CD 4.37Å; E18-K21 IonicContact OE2-NZ 2.75Å; E18-K21 PolarHBondContact OE2-NZ 3.45Å |
| 22 | L | 55.1 | Low | 52.3 | Low | 169 Ų | 169 | 122.3 Ų | 122.3 | 89% | 0.885 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -121.6 | 22.5 | -174.5 | -78.8 | 171 | 0 | 0 | 0 | 116.3 | ||
| 23 | L | 55.2 | Low | 52.4 | Low | 170 Ų | 170 | 123.8 Ų | 123.8 | 89% | 0.89 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -123.4 | 2.8 | 169.5 | -62.7 | 176.4 | 0 | 0 | 0 | 114.2 | S25 | L23-S25 PolarHBondContact O-N 3.39Š|
| 24 | S | 49.2 | Very low | 52.6 | Low | 83 Ų | 83 | 123.8 Ų | 123.8 | 58% | 0.58 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 32 | -179.5 | -159.2 | 0 | 0 | 0 | 0 | 112.9 | E27 | S24-E27 VanDerWaalsContact C-CD 3.41Å; S24-E27 VanDerWaalsContact CA-OE1 3.27Å; S24-E27 WeakPolarHBondContact CA-OE1 3.34Å; S24-E27 WeakPolarHBondContact CB-OE1 3.48Å; S24-E27 PolarHBondContact OG-OE1 3.16Å |
| 25 | S | 52.4 | Low | 53 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 10.3 | 180 | -157.8 | 0 | 0 | 0 | 0 | 114.1 | L23 E27 | L23-S25 PolarHBondContact O-N 3.39Å; S25-E27 PolarHBondContact O-N 3.37Å |
| 26 | V | 50 | Low | 53.1 | Low | 149 Ų | 149 | 115.4 Ų | 115.4 | 90% | 0.903 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -94.8 | 59.1 | 158.9 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | ||
| 27 | E | 50.4 | Low | 53.6 | Low | 119 Ų | 119 | 119.2 Ų | 119.2 | 56% | 0.556 | 68% | 0.676 | S | S | * | * | trans | -106.5 | 120.3 | -172.7 | -55 | -170.4 | 156 | 0 | 0 | 107.9 | S24 S25 S29 | S24-E27 VanDerWaalsContact C-CD 3.41Å; S24-E27 VanDerWaalsContact CA-OE1 3.27Å; S24-E27 WeakPolarHBondContact CA-OE1 3.34Å; S24-E27 WeakPolarHBondContact CB-OE1 3.48Å; S24-E27 PolarHBondContact OG-OE1 3.16Å; S25-E27 PolarHBondContact O-N 3.37Å; E27-S29 PolarHBondContact O-N 3.33Å | ||
| 28 | E | 54 | Low | 54.1 | Low | 151 Ų | 151 | 117.1 Ų | 117.1 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 77.8 | -50.1 | 160.2 | -144.3 | 157.8 | 107.8 | 0 | 0 | 118.7 | G30 V31 | E28-G30 PolarHBondContact O-N 3.18Å; E28-V31 PolarHBondContact O-N 3.15Å |
| 29 | S | 53 | Low | 54.7 | Low | 103 Ų | 103 | 113.8 Ų | 113.8 | 72% | 0.72 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.9 | -24.4 | -166.1 | -173.9 | 0 | 0 | 0 | 0 | 115.9 | E27 | E27-S29 PolarHBondContact O-N 3.33Å |
| 30 | G | 53.2 | Low | 55 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 54% | 0.536 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -88.2 | -23.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E28 V34 | E28-G30 PolarHBondContact O-N 3.18Å; G30-V34 WeakPolarHBondContact O-CG2 3.38Å |
| 31 | V | 54 | Low | 55.1 | Low | 102 Ų | 102 | 108.3 Ų | 108.3 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -82.2 | -32.1 | -174.2 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | E28 S35 | E28-V31 PolarHBondContact O-N 3.15Å; V31-S35 WeakPolarHBondContact O-CB 3.45Å; V31-S35 PolarHBondContact O-N 3Å; V31-S35 PolarHBondContact O-OG 2.88Å |
| 32 | E | 55.1 | Low | 55.4 | Low | 123 Ų | 123 | 106.2 Ų | 106.2 | 58% | 0.575 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.9 | -34.9 | 173.9 | -81.8 | 179.8 | 89.8 | 0 | 0 | 112.8 | S36 | E32-S36 WeakPolarHBondContact O-CB 3.45Å; E32-S36 PolarHBondContact O-N 3.41Å; E32-S36 PolarHBondContact O-OG 3.15Å |
| 33 | E | 57.9 | Low | 55.6 | Low | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.6 | -43.3 | 178.2 | -169.1 | -178.4 | 101.1 | 0 | 0 | 111.5 | S36 R37 | E33-S36 PolarHBondContact O-N 3.37Å; E33-R37 WeakPolarHBondContact O-CG 3.36Å; E33-R37 PolarHBondContact O-N 3.14Å; E33-R37 VanDerWaalsContact O-N 3.15Å |
| 34 | V | 58.8 | Low | 55.8 | Low | 92 Ų | 92 | 104.9 Ų | 104.9 | 56% | 0.558 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.4 | -37.1 | 178 | 180 | 0 | 0 | 0 | 0 | 111.3 | G30 T38 | G30-V34 WeakPolarHBondContact O-CG2 3.38Å; V34-T38 WeakPolarHBondContact O-CB 3.46Å; V34-T38 PolarHBondContact O-N 3Å; V34-T38 VanDerWaalsContact O-N 3.1Å; V34-T38 PolarHBondContact O-OG1 2.78Å |
| 35 | S | 58.7 | Low | 55.9 | Low | 68 Ų | 68 | 102.1 Ų | 102.1 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.2 | -40.1 | 177 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | V31 T38 A39 | V31-S35 WeakPolarHBondContact O-CB 3.45Å; V31-S35 PolarHBondContact O-N 3Å; V31-S35 PolarHBondContact O-OG 2.88Å; S35-T38 PolarHBondContact O-N 2.97Å; S35-A39 WeakPolarHBondContact O-CB 3.47Å; S35-A39 PolarHBondContact O-N 3.44Å |
| 36 | S | 59.3 | Low | 56.3 | Low | 80 Ų | 80 | 103.3 Ų | 103.3 | 56% | 0.559 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | E32 E33 S40 | E32-S36 WeakPolarHBondContact O-CB 3.45Å; E32-S36 PolarHBondContact O-N 3.41Å; E32-S36 PolarHBondContact O-OG 3.15Å; E33-S36 PolarHBondContact O-N 3.37Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 3.1Å; S36-S40 VanDerWaalsContact O-N 3.14Å |
| 37 | R | 58.5 | Low | 56.8 | Low | 175 Ų | 175 | 103.5 Ų | 103.5 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | 175.4 | -69.3 | 176.1 | 88.1 | 160.9 | 4.2 | 112.1 | E33 N41 | E33-R37 WeakPolarHBondContact O-CG 3.36Å; E33-R37 PolarHBondContact O-N 3.14Å; E33-R37 VanDerWaalsContact O-N 3.15Å; R37-N41 PolarHBondContact O-N 2.8Å; R37-N41 PolarHBondContact O-OD1 3.05Å |
| 38 | T | 58.9 | Low | 57.2 | Low | 80 Ų | 80 | 106 Ų | 106 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.4 | -40.8 | 178.8 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | V34 S35 V42 | V34-T38 WeakPolarHBondContact O-CB 3.46Å; V34-T38 PolarHBondContact O-N 3Å; V34-T38 VanDerWaalsContact O-N 3.1Å; V34-T38 PolarHBondContact O-OG1 2.78Å; S35-T38 PolarHBondContact O-N 2.97Å; T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 2.74Å |
| 39 | A | 58.3 | Low | 57.7 | Low | 63 Ų | 63 | 106.4 Ų | 106.4 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.8 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S35 V42 Q43 | S35-A39 WeakPolarHBondContact O-CB 3.47Å; S35-A39 PolarHBondContact O-N 3.44Å; A39-V42 PolarHBondContact O-N 3Å; A39-Q43 PolarHBondContact O-N 3.36Å |
| 40 | S | 58.5 | Low | 58.1 | Low | 55 Ų | 55 | 107 Ų | 107 | 39% | 0.385 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.2 | -44.9 | 177.4 | -163.5 | 0 | 0 | 0 | 0 | 111.9 | S36 V42 Q43 E44 | S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 3.1Å; S36-S40 VanDerWaalsContact O-N 3.14Å; S40-V42 VanDerWaalsContact C-N 3.3Å; S40-V42 PolarHBondContact O-N 2.9Å; S40-Q43 PolarHBondContact O-N 3.18Å; S40-Q43 VanDerWaalsContact O-N 3.15Å; S40-E44 PolarHBondContact O-N 3Å |
| 41 | N | 56 | Low | 58.4 | Low | 60 Ų | 60 | 113.7 Ų | 113.7 | 32% | 0.321 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71 | -25.9 | -177 | -69.4 | 28.5 | 0 | 0 | 0 | 112.5 | R37 W47 | R37-N41 PolarHBondContact O-N 2.8Å; R37-N41 PolarHBondContact O-OD1 3.05Å; N41-W47 VanDerWaalsContact C-NE1 3.29Å; N41-W47 HydrophobicContact CB-CH2 4.03Å; N41-W47 HydrophobicContact CB-CZ2 3.39Å; N41-W47 PolarHBondContact O-NE1 3.33Å |
| 42 | V | 57.6 | Low | 58.5 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.8 | -34.1 | 172 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | T38 A39 S40 | T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 2.74Å; A39-V42 PolarHBondContact O-N 3Å; S40-V42 VanDerWaalsContact C-N 3.3Å; S40-V42 PolarHBondContact O-N 2.9Å |
| 43 | Q | 58.4 | Low | 58.5 | Low | 177 Ų | 177 | 116.8 Ų | 116.8 | 83% | 0.827 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.6 | -32.2 | -177.4 | -168.3 | 171.1 | 3.3 | 0 | 0 | 113.3 | A39 S40 G45 | A39-Q43 PolarHBondContact O-N 3.36Å; S40-Q43 PolarHBondContact O-N 3.18Å; S40-Q43 VanDerWaalsContact O-N 3.15Å; Q43-G45 VanDerWaalsContact C-N 3.27Å; Q43-G45 PolarHBondContact O-N 2.9Å |
| 44 | E | 58.7 | Low | 58.3 | Low | 135 Ų | 135 | 117.8 Ų | 117.8 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 1.3 | -178.6 | -67.4 | -159.8 | 164.1 | 0 | 0 | 114.3 | S40 E46 | S40-E44 PolarHBondContact O-N 3Å; E44-E46 HydrophobicContact CB-CG 3.88Å; E44-E46 PolarHBondContact O-N 3.44Å; E44-E46 VanDerWaalsContact O-N 3.13Å |
| 45 | G | 52.9 | Low | 58.2 | Low | 25 Ų | 25 | 120.7 Ų | 120.7 | 26% | 0.258 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.8 | 18.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q43 W47 Q48 | Q43-G45 VanDerWaalsContact C-N 3.27Å; Q43-G45 PolarHBondContact O-N 2.9Å; G45-W47 PolarHBondContact O-N 3.15Å; G45-Q48 WeakPolarHBondContact O-CB 3.36Å; G45-Q48 VanDerWaalsContact O-CG 3.26Å; G45-Q48 WeakPolarHBondContact O-CG 3.36Å; G45-Q48 PolarHBondContact O-N 3.07Å |
| 46 | E | 59.2 | Low | 57.9 | Low | 137 Ų | 137 | 124.5 Ų | 124.5 | 64% | 0.64 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -1.1 | -178.5 | -65.7 | -121.2 | 119.1 | 0 | 0 | 113.4 | E44 | E44-E46 HydrophobicContact CB-CG 3.88Å; E44-E46 PolarHBondContact O-N 3.44Å; E44-E46 VanDerWaalsContact O-N 3.13Å |
| 47 | W | 61.5 | Low | 57.5 | Low | 153 Ų | 153 | 126.4 Ų | 126.4 | 58% | 0.58 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 7.3 | 169.5 | -33.6 | 99.6 | 0 | 0 | 0 | 113.5 | N41 G45 L49 | N41-W47 VanDerWaalsContact C-NE1 3.29Å; N41-W47 HydrophobicContact CB-CH2 4.03Å; N41-W47 HydrophobicContact CB-CZ2 3.39Å; N41-W47 PolarHBondContact O-NE1 3.33Å; G45-W47 PolarHBondContact O-N 3.15Å; W47-L49 PolarHBondContact O-N 3.33Å |
| 48 | Q | 59.4 | Low | 57.1 | Low | 172 Ų | 172 | 121.7 Ų | 121.7 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | -70.2 | 67.4 | 170.7 | -71.8 | -175.5 | -40.5 | 0 | 0 | 109.5 | G45 S50 | G45-Q48 WeakPolarHBondContact O-CB 3.36Å; G45-Q48 VanDerWaalsContact O-CG 3.26Å; G45-Q48 WeakPolarHBondContact O-CG 3.36Å; G45-Q48 PolarHBondContact O-N 3.07Å; Q48-S50 PolarHBondContact O-N 3.18Å | ||
| 49 | L | 63.3 | Low | 56.5 | Low | 159 Ų | 159 | 125.9 Ų | 125.9 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | trans | -50.4 | 121.2 | 157.3 | -63.3 | 176.2 | 0 | 0 | 0 | 105.6 | W47 E51 | W47-L49 PolarHBondContact O-N 3.33Å; L49-E51 PolarHBondContact O-N 2.88Å; L49-E51 VanDerWaalsContact O-N 3.13Å | ||
| 50 | S | 61.4 | Low | 56.4 | Low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -44.7 | 123 | -175 | -51.8 | 0 | 0 | 0 | 0 | 109.4 | Q48 E52 | Q48-S50 PolarHBondContact O-N 3.18Å; S50-E52 PolarHBondContact O-N 3.22Å | ||
| 51 | E | 59.6 | Low | 55.7 | Low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | trans | -49.1 | 110.2 | 171.7 | -173.1 | 165.7 | 78.8 | 0 | 0 | 107.1 | L49 S53 | L49-E51 PolarHBondContact O-N 2.88Å; L49-E51 VanDerWaalsContact O-N 3.13Å; E51-S53 PolarHBondContact O-N 3.06Å | ||
| 52 | E | 56.3 | Low | 55.8 | Low | 183 Ų | 183 | 136.9 Ų | 136.9 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | trans | -58 | 109.5 | 175.9 | 175.5 | 156.1 | 68.3 | 0 | 0 | 106.2 | S50 D54 | S50-E52 PolarHBondContact O-N 3.22Å; E52-D54 PolarHBondContact O-N 3.38Å | ||
| 53 | S | 54.9 | Low | 55.6 | Low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -58.4 | 107.8 | -175.7 | -178.5 | 0 | 0 | 0 | 0 | 109 | E51 H55 | E51-S53 PolarHBondContact O-N 3.06Å; S53-H55 PolarHBondContact O-N 3.37Å | ||
| 54 | D | 54 | Low | 55.6 | Low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -55.2 | 98.5 | 171.1 | -140.7 | -67.2 | 0 | 0 | 0 | 109.2 | E52 | E52-D54 PolarHBondContact O-N 3.38Š| ||
| 55 | H | 56.6 | Low | 55.7 | Low | 153 Ų | 153 | 133.5 Ų | 133.5 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | trans | -131.1 | 88.9 | 163.1 | -157.6 | 60.7 | 0 | 0 | 0 | 108.2 | S53 D57 | S53-H55 PolarHBondContact O-N 3.37Å; H55-D57 VanDerWaalsContact C-N 3.34Å; H55-D57 PolarHBondContact O-N 3.47Å | ||
| 56 | D | 53 | Low | 55.6 | Low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -38.2 | 97.6 | 150.7 | -114.3 | -70.7 | 0 | 0 | 0 | 109.4 | ||||
| 57 | D | 50.8 | Low | 55.6 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | trans | -144.4 | 105.1 | 150.3 | -139.5 | -39.6 | 0 | 0 | 0 | 110.1 | H55 | H55-D57 VanDerWaalsContact C-N 3.34Å; H55-D57 PolarHBondContact O-N 3.47Å | ||
| 58 | S | 49 | Very low | 55.5 | Low | 76 Ų | 76 | 134.5 Ų | 134.5 | 53% | 0.531 | 77% | 0.768 | S | S | . | * | trans | 5.9 | 154.4 | 153.9 | 67.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 59 | E | 47.9 | Very low | 55.7 | Low | 168 Ų | 168 | 131.8 Ų | 131.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 72.3 | 83.6 | 160.6 | 83 | -159.7 | 82.7 | 0 | 0 | 118.3 | ||||
| 60 | T | 55.2 | Low | 55.8 | Low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -160.3 | 127.7 | 139.4 | 10.5 | 0 | 0 | 0 | 0 | 113.1 | T62 | T60-T62 PolarHBondContact O-N 3.23Š| ||
| 61 | V | 44.5 | Very low | 56.4 | Low | 148 Ų | 148 | 126.6 Ų | 126.6 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | trans | -62.3 | 114.4 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 62 | T | 58.2 | Low | 56.9 | Low | 122 Ų | 122 | 125 Ų | 125 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -108.6 | 125.9 | 169.9 | 47.4 | 0 | 0 | 0 | 0 | 110.4 | T60 S64 | T60-T62 PolarHBondContact O-N 3.23Å; T62-S64 PolarHBondContact O-N 2.93Å | ||
| 63 | P | 51.9 | Low | 58 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | -66.9 | 129.5 | 176.3 | 27.7 | -32 | 0 | 0 | 0 | 109 | P65 | P63-P65 WeakPolarHBondContact O-CD 3.3Å; P63-P65 VanDerWaalsContact O-N 3.13Å | ||
| 64 | S | 60.1 | Low | 59 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | trans | -55.1 | 119.6 | 174.9 | -59.5 | 0 | 0 | 0 | 0 | 109.5 | T62 T66 | T62-S64 PolarHBondContact O-N 2.93Å; S64-T66 PolarHBondContact O-N 3.21Å | ||
| 65 | P | 59.1 | Low | 60.1 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 74% | 0.74 | 67% | 0.674 | S | S | * | * | trans | -61.9 | 115.3 | 169 | 25.5 | -30.4 | 0 | 0 | 0 | 106.4 | P63 S67 | P63-P65 WeakPolarHBondContact O-CD 3.3Å; P63-P65 VanDerWaalsContact O-N 3.13Å; P65-S67 PolarHBondContact O-N 3.13Å | ||
| 66 | T | 51.4 | Low | 61.3 | Low | 138 Ų | 138 | 113 Ų | 113 | 85% | 0.847 | 66% | 0.656 | S | S | * | * | trans | -63.9 | 97.3 | 164.2 | -62.3 | 0 | 0 | 0 | 0 | 105.1 | S64 | S64-T66 PolarHBondContact O-N 3.21Š| ||
| 67 | S | 59.9 | Low | 62.5 | Low | 85 Ų | 85 | 113.8 Ų | 113.8 | 59% | 0.594 | 65% | 0.652 | S | S | * | * | trans | -50.6 | 124.8 | 177.2 | -62 | 0 | 0 | 0 | 0 | 108.5 | P65 S69 | P65-S67 PolarHBondContact O-N 3.13Å; S67-S69 PolarHBondContact O-N 3.36Å | ||
| 68 | P | 59.4 | Low | 63.9 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | -58.1 | 114.9 | 160.1 | 24.9 | -29.2 | 0 | 0 | 0 | 105.4 | Q70 | P68-Q70 PolarHBondContact O-N 3.1Š| ||
| 69 | S | 63.7 | Low | 64.8 | Low | 115 Ų | 115 | 114.8 Ų | 114.8 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | -69.6 | 12.5 | -175 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | S67 | S67-S69 PolarHBondContact O-N 3.36Š| ||
| 70 | Q | 65.1 | Low | 66.2 | Low | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 65% | 0.645 | S | S | . | * | trans | -85.6 | 118.7 | 177 | -62.4 | -155.8 | -77.4 | 0 | 0 | 108.7 | P68 E74 | P68-Q70 PolarHBondContact O-N 3.1Å; Q70-E74 HydrophobicContact CB-CB 4.04Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.2Å; Q70-E74 PolarHBondContact NE2-OE1 3.43Å | ||
| 71 | S | 73.9 | Confident | 67.3 | Low | 51 Ų | 51 | 110.3 Ų | 110.3 | 36% | 0.357 | 63% | 0.626 | S | S | . | * | trans | -63.1 | 156.4 | 171.1 | 73.7 | 0 | 0 | 0 | 0 | 109.8 | E73 E74 V75 | S71-E73 PolarHBondContact O-N 3.26Å; S71-E73 WeakPolarHBondContact OG-CB 3.48Å; S71-E73 PolarHBondContact OG-N 3.2Å; S71-E74 WeakPolarHBondContact O-CA 3.48Å; S71-E74 WeakPolarHBondContact O-CB 3.36Å; S71-E74 PolarHBondContact O-N 3.41Å; S71-E74 PolarHBondContact OG-N 3.16Å; S71-V75 PolarHBondContact O-N 2.7Å | ||
| 72 | F | 70.8 | Confident | 69.1 | Low | 157 Ų | 157 | 112 Ų | 112 | 69% | 0.689 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.5 | -30.9 | 170.5 | 178.1 | -109.8 | 0 | 0 | 0 | 112.1 | V75 L76 | F72-V75 PolarHBondContact O-N 2.95Å; F72-L76 HydrophobicContact CD1-CD1 3.89Å; F72-L76 HydrophobicContact CD1-CG 4.48Å; F72-L76 HydrophobicContact CE1-CD1 3.45Å; F72-L76 VanDerWaalsContact CE1-CD1 3.45Å; F72-L76 HydrophobicContact CE1-CG 4.15Å; F72-L76 HydrophobicContact CZ-CD1 3.87Å; F72-L76 HydrophobicContact CZ-CD2 4.24Å; F72-L76 HydrophobicContact CZ-CG 4.15Å; F72-L76 WeakPolarHBondContact O-CG 3.41Å; F72-L76 PolarHBondContact O-N 3.37Å; F72-L76 VanDerWaalsContact O-N 3.07Å |
| 73 | E | 79.1 | Confident | 69.8 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 58% | 0.584 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.5 | -32.9 | 175.4 | -55 | 176.1 | 157.2 | 0 | 0 | 113.3 | S71 K77 | S71-E73 PolarHBondContact O-N 3.26Å; S71-E73 WeakPolarHBondContact OG-CB 3.48Å; S71-E73 PolarHBondContact OG-N 3.2Å; E73-K77 WeakPolarHBondContact O-CB 3.27Å; E73-K77 WeakPolarHBondContact O-CD 3.47Å; E73-K77 WeakPolarHBondContact O-CG 3.5Å; E73-K77 PolarHBondContact O-N 3.46Å |
| 74 | E | 74.4 | Confident | 70.2 | Confident | 90 Ų | 90 | 116.2 Ų | 116.2 | 42% | 0.421 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.1 | -38.1 | 171.9 | -100 | 178.1 | 83.7 | 0 | 0 | 111.6 | Q70 S71 K77 S78 | Q70-E74 HydrophobicContact CB-CB 4.04Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.2Å; Q70-E74 PolarHBondContact NE2-OE1 3.43Å; S71-E74 WeakPolarHBondContact O-CA 3.48Å; S71-E74 WeakPolarHBondContact O-CB 3.36Å; S71-E74 PolarHBondContact O-N 3.41Å; S71-E74 PolarHBondContact OG-N 3.16Å; E74-K77 PolarHBondContact O-N 3.43Å; E74-S78 PolarHBondContact O-N 3.41Å; E74-S78 VanDerWaalsContact O-N 3.1Å |
| 75 | V | 78.7 | Confident | 70.7 | Confident | 60 Ų | 60 | 116.6 Ų | 116.6 | 36% | 0.364 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.2 | -44.6 | 176.2 | 179 | 0 | 0 | 0 | 0 | 110.7 | S71 F72 K77 S78 F81 | S71-V75 PolarHBondContact O-N 2.7Å; F72-V75 PolarHBondContact O-N 2.95Å; V75-K77 PolarHBondContact O-N 2.75Å; V75-S78 VanDerWaalsContact O-CB 3.3Å; V75-S78 WeakPolarHBondContact O-CB 3.47Å; V75-S78 PolarHBondContact O-N 3.13Å; V75-S78 VanDerWaalsContact O-N 3.15Å; V75-F81 HydrophobicContact CG1-CD2 4.36Å |
| 76 | L | 80.2 | Confident | 71.3 | Confident | 62 Ų | 62 | 116.7 Ų | 116.7 | 33% | 0.325 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.8 | -24.2 | 177.7 | -70.9 | 176.3 | 0 | 0 | 0 | 113.9 | F72 F81 W82 | F72-L76 HydrophobicContact CD1-CD1 3.89Å; F72-L76 HydrophobicContact CD1-CG 4.48Å; F72-L76 HydrophobicContact CE1-CD1 3.45Å; F72-L76 VanDerWaalsContact CE1-CD1 3.45Å; F72-L76 HydrophobicContact CE1-CG 4.15Å; F72-L76 HydrophobicContact CZ-CD1 3.87Å; F72-L76 HydrophobicContact CZ-CD2 4.24Å; F72-L76 HydrophobicContact CZ-CG 4.15Å; F72-L76 WeakPolarHBondContact O-CG 3.41Å; F72-L76 PolarHBondContact O-N 3.37Å; F72-L76 VanDerWaalsContact O-N 3.07Å; L76-F81 HydrophobicContact CD2-CD1 4.38Å; L76-F81 HydrophobicContact CD2-CE1 3.97Å; L76-F81 HydrophobicContact CD2-CZ 4.18Å; L76-W82 PolarHBondContact O-NE1 3.17Å; L76-W82 VanDerWaalsContact O-NE1 3.16Å |
| 77 | K | 79.2 | Confident | 72.4 | Confident | 163 Ų | 163 | 115.5 Ų | 115.5 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -88.9 | -8.2 | 176.1 | -71.5 | 168.9 | -171.5 | 167.5 | 0 | 113.1 | E73 E74 V75 E79 | E73-K77 WeakPolarHBondContact O-CB 3.27Å; E73-K77 WeakPolarHBondContact O-CD 3.47Å; E73-K77 WeakPolarHBondContact O-CG 3.5Å; E73-K77 PolarHBondContact O-N 3.46Å; E74-K77 PolarHBondContact O-N 3.43Å; V75-K77 PolarHBondContact O-N 2.75Å; K77-E79 PolarHBondContact O-N 3.3Å |
| 78 | S | 79.6 | Confident | 73.2 | Confident | 53 Ų | 53 | 117.3 Ų | 117.3 | 37% | 0.371 | 61% | 0.611 | S | S | . | * | trans | -69.6 | 122.4 | 174.2 | -173.6 | 0 | 0 | 0 | 0 | 109 | E74 V75 V80 F81 | E74-S78 PolarHBondContact O-N 3.41Å; E74-S78 VanDerWaalsContact O-N 3.1Å; V75-S78 VanDerWaalsContact O-CB 3.3Å; V75-S78 WeakPolarHBondContact O-CB 3.47Å; V75-S78 PolarHBondContact O-N 3.13Å; V75-S78 VanDerWaalsContact O-N 3.15Å; S78-V80 PolarHBondContact O-N 3.39Å; S78-V80 VanDerWaalsContact O-N 3.13Å; S78-F81 WeakPolarHBondContact O-CB 3.4Å; S78-F81 PolarHBondContact O-N 3.38Å | ||
| 79 | E | 69.5 | Low | 74 | Confident | 164 Ų | 164 | 117.6 Ų | 117.6 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -55.4 | -30.2 | 177.1 | -161.3 | 155.4 | 87.7 | 0 | 0 | 111.3 | K77 F81 W82 D83 | K77-E79 PolarHBondContact O-N 3.3Å; E79-F81 PolarHBondContact O-N 3.18Å; E79-W82 PolarHBondContact O-N 3.41Å; E79-D83 PolarHBondContact O-N 3.02Å |
| 80 | V | 76 | Confident | 74.7 | Confident | 110 Ų | 110 | 117.7 Ų | 117.7 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -60.6 | -27.7 | 175 | 179.8 | 0 | 0 | 0 | 0 | 113.3 | S78 W82 | S78-V80 PolarHBondContact O-N 3.39Å; S78-V80 VanDerWaalsContact O-N 3.13Å; V80-W82 VanDerWaalsContact C-N 3.29Å; V80-W82 PolarHBondContact O-N 3.26Å |
| 81 | F | 77.7 | Confident | 75.4 | Confident | 105 Ų | 105 | 117.8 Ų | 117.8 | 46% | 0.461 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -69.9 | -26.8 | -179.7 | -173.8 | -94.3 | 0 | 0 | 0 | 112.6 | V75 L76 S78 E79 | V75-F81 HydrophobicContact CG1-CD2 4.36Å; L76-F81 HydrophobicContact CD2-CD1 4.38Å; L76-F81 HydrophobicContact CD2-CE1 3.97Å; L76-F81 HydrophobicContact CD2-CZ 4.18Å; S78-F81 WeakPolarHBondContact O-CB 3.4Å; S78-F81 PolarHBondContact O-N 3.38Å; E79-F81 PolarHBondContact O-N 3.18Å |
| 82 | W | 83.7 | Confident | 75.5 | Confident | 183 Ų | 183 | 122.9 Ų | 122.9 | 69% | 0.693 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -5.5 | -176.3 | -59.8 | 105.5 | 0 | 0 | 0 | 114.1 | L76 E79 V80 T84 | L76-W82 PolarHBondContact O-NE1 3.17Å; L76-W82 VanDerWaalsContact O-NE1 3.16Å; E79-W82 PolarHBondContact O-N 3.41Å; V80-W82 VanDerWaalsContact C-N 3.29Å; V80-W82 PolarHBondContact O-N 3.26Å; W82-T84 VanDerWaalsContact C-N 3.35Å; W82-T84 PolarHBondContact O-N 2.85Å |
| 83 | D | 72.5 | Confident | 75.9 | Confident | 133 Ų | 133 | 120.1 Ų | 120.1 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | trans | -90.3 | 18.6 | -171.9 | -119 | -15.3 | 0 | 0 | 0 | 114.3 | E79 | E79-D83 PolarHBondContact O-N 3.02Š| ||
| 84 | T | 60.8 | Low | 75.7 | Confident | 193 Ų | 193 | 119.6 Ų | 119.6 | 100% | 1.184 | 61% | 0.606 | S | S | * | * | trans | -113.7 | 0 | 178.4 | -35.3 | 0 | 0 | 0 | 0 | 111.7 | W82 | W82-T84 VanDerWaalsContact C-N 3.35Å; W82-T84 PolarHBondContact O-N 2.85Å |
Retrieved 84 of 84 residues in 51.7 ms
(Link to these results)