| 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 | 29.2 | Very low | 24.9 | Very low | 238 Ų | 238 | 159.5 Ų | 159.5 | 100% | 1.172 | 81% | 0.808 | S | S | * | * | 0 | 103.1 | 0 | -71.7 | 174 | 156.4 | 0 | 0 | 107.8 | |||||
| 2 | P | 30.4 | Very low | 25 | Very low | 135 Ų | 135 | 155.7 Ų | 155.7 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -84 | 118.6 | 180 | 7.5 | 10.2 | 0 | 0 | 0 | 109.6 | M4 | P2-M4 PolarHBondContact O-N 3.3Š| ||
| 3 | M | 25.5 | Very low | 24.9 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 93% | 0.931 | 78% | 0.778 | S | S | * | * | trans | -69.4 | 115.4 | 172.9 | -91.2 | 179.8 | 163.1 | 0 | 0 | 109.8 | K5 | M3-K5 PolarHBondContact O-N 3.18Š| ||
| 4 | M | 24.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -67.8 | 106.7 | 171.5 | -151.9 | 97.4 | 155.4 | 0 | 0 | 108.4 | P2 Y6 | P2-M4 PolarHBondContact O-N 3.3Å; M4-Y6 HydrophobicContact CB-CE2 4.41Å; M4-Y6 HydrophobicContact CG-CE2 4.22Å; M4-Y6 PolarHBondContact O-N 3.22Å | ||
| 5 | K | 24.1 | Very low | 24.8 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | trans | -83 | 98.4 | 178 | -165.8 | 179.2 | -175.8 | -176.8 | 0 | 108.4 | M3 I7 | M3-K5 PolarHBondContact O-N 3.18Å; K5-I7 PolarHBondContact O-N 2.9Å | ||
| 6 | Y | 22.6 | Very low | 24.8 | Very low | 205 Ų | 205 | 151.7 Ų | 151.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -69.2 | 114 | 171.4 | -82.6 | -93.9 | 0 | 0 | 0 | 108.7 | M4 | M4-Y6 HydrophobicContact CB-CE2 4.41Å; M4-Y6 HydrophobicContact CG-CE2 4.22Å; M4-Y6 PolarHBondContact O-N 3.22Å | ||
| 7 | I | 20.8 | Very low | 24.7 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | -94.6 | 98 | 172.1 | -59.2 | 175.3 | 0 | 0 | 0 | 106.1 | K5 N9 | K5-I7 PolarHBondContact O-N 2.9Å; I7-N9 VanDerWaalsContact C-N 3.27Å; I7-N9 HydrophobicContact CG2-CB 4.33Å; I7-N9 PolarHBondContact O-N 3.14Å | ||
| 8 | E | 24.6 | Very low | 24.7 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -76.3 | 78.8 | 176.3 | -162.9 | 173.4 | -149.1 | 0 | 0 | 108.7 | S10 | E8-S10 VanDerWaalsContact C-N 3.33Å; E8-S10 PolarHBondContact O-N 3.46Å; E8-S10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | N | 24 | Very low | 24.7 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -86.1 | 76.3 | -178.4 | -144.7 | 28.3 | 0 | 0 | 0 | 109.7 | I7 T11 | I7-N9 VanDerWaalsContact C-N 3.27Å; I7-N9 HydrophobicContact CG2-CB 4.33Å; I7-N9 PolarHBondContact O-N 3.14Å; N9-T11 PolarHBondContact O-N 2.92Å; N9-T11 PolarHBondContact O-OG1 3.21Å | ||
| 10 | S | 24 | Very low | 24.8 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -66.7 | 98.6 | 171.8 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | E8 | E8-S10 VanDerWaalsContact C-N 3.33Å; E8-S10 PolarHBondContact O-N 3.46Å; E8-S10 VanDerWaalsContact O-N 3.1Å | ||
| 11 | T | 24.3 | Very low | 24.8 | Very low | 85 Ų | 85 | 145.2 Ų | 145.2 | 52% | 0.521 | 76% | 0.762 | S | S | . | * | trans | -97.4 | 101.6 | 177.4 | -45.5 | 0 | 0 | 0 | 0 | 108.4 | N9 N13 | N9-T11 PolarHBondContact O-N 2.92Å; N9-T11 PolarHBondContact O-OG1 3.21Å; T11-N13 VanDerWaalsContact CG2-OD1 3.31Å; T11-N13 WeakPolarHBondContact CG2-OD1 3.31Å; T11-N13 PolarHBondContact O-N 3.39Å; T11-N13 VanDerWaalsContact O-N 3.08Å | ||
| 12 | T | 26.5 | Very low | 24.5 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | trans | -73 | 89.8 | 169.7 | 17.7 | 0 | 0 | 0 | 0 | 109.1 | F14 | T12-F14 PolarHBondContact O-N 2.81Š| ||
| 13 | N | 23.7 | Very low | 24.2 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 53% | 0.529 | 74% | 0.735 | S | S | . | * | trans | -77.5 | 103.1 | 174.8 | -72.2 | -29.4 | 0 | 0 | 0 | 109.6 | T11 I15 | T11-N13 VanDerWaalsContact CG2-OD1 3.31Å; T11-N13 WeakPolarHBondContact CG2-OD1 3.31Å; T11-N13 PolarHBondContact O-N 3.39Å; T11-N13 VanDerWaalsContact O-N 3.08Å; N13-I15 PolarHBondContact O-N 3.06Å; N13-I15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | F | 24.5 | Very low | 24.2 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | -68.3 | 104 | 164.4 | -75.4 | -91 | 0 | 0 | 0 | 108.1 | T12 N16 | T12-F14 PolarHBondContact O-N 2.81Å; F14-N16 VanDerWaalsContact C-N 3.33Å; F14-N16 PolarHBondContact O-N 3.13Å | ||
| 15 | I | 23.4 | Very low | 24.1 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | -73.1 | 87.7 | -177 | -55.7 | 171.6 | 0 | 0 | 0 | 108.3 | N13 I19 | N13-I15 PolarHBondContact O-N 3.06Å; N13-I15 VanDerWaalsContact O-N 3.14Å; I15-I19 HydrophobicContact CG2-CD1 4.4Å; I15-I19 HydrophobicContact CG2-CG1 4.45Å | ||
| 16 | N | 24.6 | Very low | 24 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | -114.2 | 102.4 | 169.3 | -126.4 | -2.8 | 0 | 0 | 0 | 108.7 | F14 | F14-N16 VanDerWaalsContact C-N 3.33Å; F14-N16 PolarHBondContact O-N 3.13Å | ||
| 17 | S | 23.7 | Very low | 24.1 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 47.9 | 95 | 159.5 | -153.8 | 0 | 0 | 0 | 0 | 117.8 | ||
| 18 | T | 24.3 | Very low | 24.2 | Very low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | trans | 145.8 | 74.7 | 144.5 | -54.3 | 0 | 0 | 0 | 0 | 108.4 | E20 | T18-E20 PolarHBondContact O-N 3.49Š| ||
| 19 | I | 25.5 | Very low | 24.2 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -66.1 | -13.3 | -173.4 | -73.2 | 173.2 | 0 | 0 | 0 | 113.3 | I15 S21 | I15-I19 HydrophobicContact CG2-CD1 4.4Å; I15-I19 HydrophobicContact CG2-CG1 4.45Å; I19-S21 PolarHBondContact O-N 3.22Å |
| 20 | E | 26.3 | Very low | 24.2 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -71.3 | -24.6 | -168.9 | -64.1 | -171.2 | 160.3 | 0 | 0 | 114.9 | T18 | T18-E20 PolarHBondContact O-N 3.49Š|
| 21 | S | 24.1 | Very low | 24.3 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -97.2 | -15.9 | -170.5 | -167.4 | 0 | 0 | 0 | 0 | 115.7 | I19 | I19-S21 PolarHBondContact O-N 3.22Š|
| 22 | M | 22.9 | Very low | 24.5 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -98.3 | -7.9 | -167.4 | -74.5 | -174.8 | 63.8 | 0 | 0 | 115.5 | ||
| 23 | L | 23.9 | Very low | 24.5 | Very low | 149 Ų | 149 | 137 Ų | 137 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -89.4 | -5.6 | -178.8 | -73.8 | 174.4 | 0 | 0 | 0 | 114.5 | ||
| 24 | N | 25.6 | Very low | 24.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -83.4 | -27.2 | -166.2 | -107.1 | 16.6 | 0 | 0 | 0 | 116.6 | ||
| 25 | D | 23.5 | Very low | 24.7 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -128.5 | 12.2 | -161.8 | -76.5 | -25.7 | 0 | 0 | 0 | 118.2 | ||
| 26 | T | 22.3 | Very low | 24.9 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | trans | -135.5 | 103.1 | 175.2 | -26.1 | 0 | 0 | 0 | 0 | 112.4 | M28 | T26-M28 HydrophobicContact CG2-CB 3.96Å; T26-M28 HydrophobicContact CG2-CG 4.03Å; T26-M28 HydrophobicContact CG2-SD 3.76Å; T26-M28 PolarHBondContact O-N 2.57Å | ||
| 27 | W | 23.1 | Very low | 24.9 | Very low | 278 Ų | 278 | 124.2 Ų | 124.2 | 100% | 1.053 | 68% | 0.68 | S | S | * | * | trans | -55.5 | 82.8 | 151.3 | -93.3 | -33.2 | 0 | 0 | 0 | 108.3 | ||||
| 28 | M | 23.3 | Very low | 25 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 53% | 0.527 | 67% | 0.665 | S | S | . | * | trans | -115.9 | 115.7 | -179.2 | -138.2 | 161.2 | 53.8 | 0 | 0 | 105.1 | T26 N30 | T26-M28 HydrophobicContact CG2-CB 3.96Å; T26-M28 HydrophobicContact CG2-CG 4.03Å; T26-M28 HydrophobicContact CG2-SD 3.76Å; T26-M28 PolarHBondContact O-N 2.57Å; M28-N30 VanDerWaalsContact CB-OD1 3.22Å; M28-N30 WeakPolarHBondContact CB-OD1 3.45Å; M28-N30 WeakPolarHBondContact CE-ND2 3.13Å; M28-N30 WeakPolarHBondContact CE-OD1 3.34Å; M28-N30 WeakPolarHBondContact CG-OD1 3.15Å; M28-N30 WeakPolarHBondContact O-CB 3.08Å; M28-N30 PolarHBondContact O-N 2.88Å | ||
| 29 | N | 24.5 | Very low | 25.1 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 95% | 0.947 | 66% | 0.66 | S | S | * | * | trans | -61.1 | 74.3 | 170.6 | -121.7 | 4.2 | 0 | 0 | 0 | 107.2 | T31 | N29-T31 PolarHBondContact O-N 3.08Š| ||
| 30 | N | 24.7 | Very low | 25.1 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 48% | 0.476 | 67% | 0.666 | S | S | . | * | trans | -97 | 98.9 | -167.2 | -93.1 | 16.8 | 0 | 0 | 0 | 109 | M28 T32 | M28-N30 VanDerWaalsContact CB-OD1 3.22Å; M28-N30 WeakPolarHBondContact CB-OD1 3.45Å; M28-N30 WeakPolarHBondContact CE-ND2 3.13Å; M28-N30 WeakPolarHBondContact CE-OD1 3.34Å; M28-N30 WeakPolarHBondContact CG-OD1 3.15Å; M28-N30 WeakPolarHBondContact O-CB 3.08Å; M28-N30 PolarHBondContact O-N 2.88Å; N30-T32 PolarHBondContact O-N 3Å; N30-T32 PolarHBondContact O-OG1 2.76Å | ||
| 31 | T | 26 | Very low | 25 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | trans | -51.8 | 96.7 | 150.6 | 1.5 | 0 | 0 | 0 | 0 | 107.5 | N29 T33 | N29-T31 PolarHBondContact O-N 3.08Å; T31-T33 PolarHBondContact O-N 3.42Å | ||
| 32 | T | 27.6 | Very low | 25.1 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | trans | -82.6 | 99.5 | -178.5 | -60.5 | 0 | 0 | 0 | 0 | 107.7 | N30 I34 | N30-T32 PolarHBondContact O-N 3Å; N30-T32 PolarHBondContact O-OG1 2.76Å; T32-I34 HydrophobicContact CG2-CD1 4.45Å; T32-I34 HydrophobicContact CG2-CG1 3.8Å; T32-I34 PolarHBondContact O-N 3.1Å | ||
| 33 | T | 26.7 | Very low | 25.3 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | trans | -76 | 97.9 | 171.7 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | T31 G35 | T31-T33 PolarHBondContact O-N 3.42Å; T33-G35 PolarHBondContact O-N 3.03Å | ||
| 34 | I | 26.5 | Very low | 25.4 | Very low | 83 Ų | 83 | 114.9 Ų | 114.9 | 43% | 0.426 | 63% | 0.628 | S | S | . | * | trans | -83.1 | 112.4 | 177.8 | -55.8 | 175.1 | 0 | 0 | 0 | 108.7 | T32 M36 N46 | T32-I34 HydrophobicContact CG2-CD1 4.45Å; T32-I34 HydrophobicContact CG2-CG1 3.8Å; T32-I34 PolarHBondContact O-N 3.1Å; I34-M36 PolarHBondContact O-N 3Å; I34-N46 HydrophobicContact CD1-CB 3.98Å | ||
| 35 | G | 25.8 | Very low | 25.5 | Very low | 60 Ų | 60 | 112.9 Ų | 112.9 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | trans | -72.6 | 116.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T33 | T33-G35 PolarHBondContact O-N 3.03Š| ||
| 36 | M | 27.1 | Very low | 25.9 | Very low | 63 Ų | 63 | 110.6 Ų | 110.6 | 31% | 0.31 | 60% | 0.603 | S | S | . | * | trans | -95.1 | 109.6 | -175.8 | -62.9 | 178.9 | -74.7 | 0 | 0 | 111.7 | I34 I38 T43 Y110 | I34-M36 PolarHBondContact O-N 3Å; M36-I38 HydrophobicContact CB-CG1 4.46Å; M36-I38 PolarHBondContact O-N 3.12Å; M36-T43 HydrophobicContact SD-CG2 4.26Å; M36-Y110 WeakPolarHBondContact O-CD1 3.21Å; M36-Y110 WeakPolarHBondContact O-CE1 3.17Å | ||
| 37 | N | 25.7 | Very low | 26.1 | Very low | 84 Ų | 84 | 111 Ų | 111 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | trans | -74.5 | 96 | 173.2 | -170.3 | -5.5 | 0 | 0 | 0 | 110.1 | T39 H108 Y110 | N37-T39 VanDerWaalsContact C-N 3.29Å; N37-T39 PolarHBondContact O-N 3.29Å; N37-T39 PolarHBondContact OD1-OG1 3.37Å; N37-H108 PolarHBondContact OD1-CD2 3.42Å; N37-Y110 HydrophobicContact CB-CE1 4.24Å | ||
| 38 | I | 25.3 | Very low | 26.3 | Very low | 86 Ų | 86 | 103.3 Ų | 103.3 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | trans | -81.6 | 74.4 | 179.5 | -45.8 | 172.2 | 0 | 0 | 0 | 108.6 | M36 | M36-I38 HydrophobicContact CB-CG1 4.46Å; M36-I38 PolarHBondContact O-N 3.12Å | ||
| 39 | T | 27.2 | Very low | 26.6 | Very low | 91 Ų | 91 | 102.8 Ų | 102.8 | 56% | 0.558 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -87 | -24.8 | 170.7 | -28 | 0 | 0 | 0 | 0 | 111.9 | N37 | N37-T39 VanDerWaalsContact C-N 3.29Å; N37-T39 PolarHBondContact O-N 3.29Å; N37-T39 PolarHBondContact OD1-OG1 3.37Å |
| 40 | N | 24.6 | Very low | 26.9 | Very low | 138 Ų | 138 | 101.6 Ų | 101.6 | 74% | 0.738 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -159.9 | 93.5 | 173.4 | -75.5 | -52.1 | 0 | 0 | 0 | 110 | T42 | N40-T42 PolarHBondContact O-N 2.76Å; N40-T42 PolarHBondContact O-OG1 3.29Å |
| 41 | N | 24.9 | Very low | 27 | Very low | 134 Ų | 134 | 104.4 Ų | 104.4 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 27.3 | 34 | 165.5 | -78.6 | 26.9 | 0 | 0 | 0 | 120.2 | ||
| 42 | T | 25.7 | Very low | 27.2 | Very low | 67 Ų | 67 | 101.5 Ų | 101.5 | 41% | 0.411 | 58% | 0.579 | S | S | . | * | trans | -112.9 | 94.5 | -179.7 | -56.9 | 0 | 0 | 0 | 0 | 108.4 | N40 I44 Y67 | N40-T42 PolarHBondContact O-N 2.76Å; N40-T42 PolarHBondContact O-OG1 3.29Å; T42-I44 HydrophobicContact CG2-CG1 4.1Å; T42-I44 PolarHBondContact O-N 3.21Å; T42-Y67 HydrophobicContact CG2-CD2 3.84Å; T42-Y67 HydrophobicContact CG2-CE2 3.55Å | ||
| 43 | T | 27.4 | Very low | 27.4 | Very low | 90 Ų | 90 | 101.3 Ų | 101.3 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | trans | -81.5 | 109.1 | 173.6 | -54.8 | 0 | 0 | 0 | 0 | 108.4 | M36 M45 | M36-T43 HydrophobicContact SD-CG2 4.26Å; T43-M45 HydrophobicContact CG2-CE 4.19Å | ||
| 44 | I | 25.9 | Very low | 27.6 | Very low | 115 Ų | 115 | 97.4 Ų | 97.4 | 59% | 0.59 | 55% | 0.554 | S | S | * | * | trans | -98.2 | 102.5 | 171.5 | -58.1 | 172.1 | 0 | 0 | 0 | 106.8 | T42 | T42-I44 HydrophobicContact CG2-CG1 4.1Å; T42-I44 PolarHBondContact O-N 3.21Å | ||
| 45 | M | 28.4 | Very low | 27.6 | Very low | 96 Ų | 96 | 98.1 Ų | 98.1 | 47% | 0.473 | 56% | 0.562 | S | S | . | * | trans | -91 | 110.9 | 173.3 | -120.3 | 178 | -64.9 | 0 | 0 | 108.7 | T43 E47 V54 Y56 | T43-M45 HydrophobicContact CG2-CE 4.19Å; M45-E47 PolarHBondContact O-N 3.16Å; M45-V54 HydrophobicContact CE-CB 4.41Å; M45-V54 HydrophobicContact CE-CG1 3.96Å; M45-V54 HydrophobicContact CE-CG2 3.8Å; M45-V54 HydrophobicContact SD-CG2 3.64Å; M45-Y56 WeakPolarHBondContact CE-OH 3.3Å | ||
| 46 | N | 30.2 | Very low | 27.7 | Very low | 107 Ų | 107 | 100.2 Ų | 100.2 | 57% | 0.572 | 55% | 0.552 | S | S | * | * | trans | -79.7 | 99.5 | 171.6 | -81.3 | -14.9 | 0 | 0 | 0 | 108.6 | I34 T48 | I34-N46 HydrophobicContact CD1-CB 3.98Å; N46-T48 VanDerWaalsContact C-N 3.31Å; N46-T48 PolarHBondContact O-N 3.21Å | ||
| 47 | E | 27.7 | Very low | 27.7 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | trans | -72.3 | 87.6 | 167.4 | -77.5 | -174.6 | -176.9 | 0 | 0 | 109.8 | M45 T52 | M45-E47 PolarHBondContact O-N 3.16Å; E47-T52 WeakPolarHBondContact OE1-CB 3.22Å | ||
| 48 | T | 26.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 109.4 Ų | 109.4 | 72% | 0.718 | 59% | 0.592 | S | S | * | * | trans | -79.7 | 114 | 157.9 | 18.5 | 0 | 0 | 0 | 0 | 108.6 | N46 | N46-T48 VanDerWaalsContact C-N 3.31Å; N46-T48 PolarHBondContact O-N 3.21Å | ||
| 49 | S | 29.5 | Very low | 28 | Very low | 97 Ų | 97 | 114.1 Ų | 114.1 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 75.6 | 111 | 168.2 | 67.1 | 0 | 0 | 0 | 0 | 118.1 | ||
| 50 | N | 30.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 117.3 Ų | 117.3 | 81% | 0.813 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 48 | 93.9 | 154.5 | -56.6 | -16.5 | 0 | 0 | 0 | 117.6 | ||
| 51 | N | 28.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 114.4 Ų | 114.4 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | trans | 65.2 | 57.2 | 155.9 | -62 | 18 | 0 | 0 | 0 | 115.8 | ||||
| 52 | T | 30.1 | Very low | 28.4 | Very low | 75 Ų | 75 | 112.5 Ų | 112.5 | 46% | 0.46 | 61% | 0.607 | S | S | . | * | trans | -84.4 | 137 | 157.8 | -56.8 | 0 | 0 | 0 | 0 | 107.8 | E47 V54 | E47-T52 WeakPolarHBondContact OE1-CB 3.22Å; T52-V54 HydrophobicContact CG2-CG2 4.26Å | ||
| 53 | T | 31.2 | Very low | 28.5 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | trans | -130.1 | 114.4 | 169.4 | -53.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 54 | V | 31 | Very low | 28.6 | Very low | 37 Ų | 37 | 114.7 Ų | 114.7 | 22% | 0.224 | 62% | 0.616 | C | S | . | * | P | Polyproline II helix | trans | -85.2 | 121.7 | -173.4 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | M45 T52 Y56 | M45-V54 HydrophobicContact CE-CB 4.41Å; M45-V54 HydrophobicContact CE-CG1 3.96Å; M45-V54 HydrophobicContact CE-CG2 3.8Å; M45-V54 HydrophobicContact SD-CG2 3.64Å; T52-V54 HydrophobicContact CG2-CG2 4.26Å; V54-Y56 HydrophobicContact CB-CE2 3.95Å; V54-Y56 HydrophobicContact CG1-CD1 4.47Å; V54-Y56 HydrophobicContact CG1-CD2 4.13Å; V54-Y56 HydrophobicContact CG1-CE1 3.95Å; V54-Y56 HydrophobicContact CG1-CE2 3.55Å; V54-Y56 VanDerWaalsContact CG1-CZ 3.45Å |
| 55 | V | 26.8 | Very low | 28.7 | Very low | 98 Ų | 98 | 113.5 Ų | 113.5 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 121.9 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 56 | Y | 27.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 41% | 0.408 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -101.6 | 140 | 179.6 | -64.6 | -85 | 0 | 0 | 0 | 111.5 | M45 V54 I64 | M45-Y56 WeakPolarHBondContact CE-OH 3.3Å; V54-Y56 HydrophobicContact CB-CE2 3.95Å; V54-Y56 HydrophobicContact CG1-CD1 4.47Å; V54-Y56 HydrophobicContact CG1-CD2 4.13Å; V54-Y56 HydrophobicContact CG1-CE1 3.95Å; V54-Y56 HydrophobicContact CG1-CE2 3.55Å; V54-Y56 VanDerWaalsContact CG1-CZ 3.45Å; Y56-I64 HydrophobicContact CD1-CD1 3.69Å; Y56-I64 HydrophobicContact CD2-CD1 4.06Å; Y56-I64 HydrophobicContact CE1-CD1 3.78Å; Y56-I64 HydrophobicContact CE2-CD1 4.14Å; Y56-I64 HydrophobicContact CG-CD1 3.83Å |
| 57 | H | 26.8 | Very low | 28.5 | Very low | 170 Ų | 170 | 114.4 Ų | 114.4 | 79% | 0.787 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -86 | 129.8 | 175.7 | -75.6 | -89.9 | 0 | 0 | 0 | 111.5 | E59 | H57-E59 VanDerWaalsContact C-N 3.28Å; H57-E59 PolarHBondContact O-N 2.97Å |
| 58 | Q | 28.6 | Very low | 28.5 | Very low | 171 Ų | 171 | 111.8 Ų | 111.8 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -62.3 | -24.8 | -166.3 | -168.6 | 166.7 | 7 | 0 | 0 | 115.4 | N60 | Q58-N60 VanDerWaalsContact C-N 3.34Å; Q58-N60 PolarHBondContact O-N 3.02Å |
| 59 | E | 29 | Very low | 28.7 | Very low | 184 Ų | 184 | 109.8 Ų | 109.8 | 86% | 0.86 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -76.8 | -12.4 | -162.2 | -61.1 | -169 | 169 | 0 | 0 | 115.6 | H57 | H57-E59 VanDerWaalsContact C-N 3.28Å; H57-E59 PolarHBondContact O-N 2.97Å |
| 60 | N | 28.2 | Very low | 28.5 | Very low | 158 Ų | 158 | 112 Ų | 112 | 85% | 0.845 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -134.6 | 24.6 | 179.6 | -80.5 | -42.4 | 0 | 0 | 0 | 114.4 | Q58 S62 | Q58-N60 VanDerWaalsContact C-N 3.34Å; Q58-N60 PolarHBondContact O-N 3.02Å; N60-S62 VanDerWaalsContact C-N 3.3Å; N60-S62 PolarHBondContact O-N 3.16Å |
| 61 | L | 29.8 | Very low | 28.4 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 41% | 0.408 | 57% | 0.572 | S | S | . | * | trans | -75.8 | 79.7 | 178.6 | -74.9 | 164.4 | 0 | 0 | 0 | 111.2 | T63 I64 | L61-T63 VanDerWaalsContact C-N 3.28Å; L61-T63 PolarHBondContact O-N 3.03Å; L61-I64 HydrophobicContact CD2-CD1 3.09Å; L61-I64 HydrophobicContact CD2-CG1 3.46Å; L61-I64 VanDerWaalsContact CD2-CG1 3.46Å | ||
| 62 | S | 27.4 | Very low | 28.4 | Very low | 94 Ų | 94 | 108.6 Ų | 108.6 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | trans | -62 | 98.7 | 152.2 | -76.9 | 0 | 0 | 0 | 0 | 107.8 | N60 I64 | N60-S62 VanDerWaalsContact C-N 3.3Å; N60-S62 PolarHBondContact O-N 3.16Å; S62-I64 PolarHBondContact O-N 3.47Å | ||
| 63 | T | 27.3 | Very low | 28.3 | Very low | 122 Ų | 122 | 112.9 Ų | 112.9 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | trans | 30.1 | 81.7 | 163.5 | -32 | 0 | 0 | 0 | 0 | 114.6 | L61 T65 | L61-T63 VanDerWaalsContact C-N 3.28Å; L61-T63 PolarHBondContact O-N 3.03Å; T63-T65 PolarHBondContact O-N 3.42Å; T63-T65 VanDerWaalsContact O-N 3.12Å | ||
| 64 | I | 29.8 | Very low | 28.3 | Very low | 80 Ų | 80 | 110.8 Ų | 110.8 | 41% | 0.41 | 58% | 0.58 | S | S | . | * | trans | -68.8 | 110.9 | 166.2 | -67.2 | -177.1 | 0 | 0 | 0 | 107.2 | Y56 L61 S62 P66 | Y56-I64 HydrophobicContact CD1-CD1 3.69Å; Y56-I64 HydrophobicContact CD2-CD1 4.06Å; Y56-I64 HydrophobicContact CE1-CD1 3.78Å; Y56-I64 HydrophobicContact CE2-CD1 4.14Å; Y56-I64 HydrophobicContact CG-CD1 3.83Å; L61-I64 HydrophobicContact CD2-CD1 3.09Å; L61-I64 HydrophobicContact CD2-CG1 3.46Å; L61-I64 VanDerWaalsContact CD2-CG1 3.46Å; S62-I64 PolarHBondContact O-N 3.47Å; I64-P66 WeakPolarHBondContact O-CD 3.28Å | ||
| 65 | T | 27.5 | Very low | 28.2 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | trans | -91.5 | 108.9 | 169 | -46.2 | 0 | 0 | 0 | 0 | 106.8 | T63 Y67 | T63-T65 PolarHBondContact O-N 3.42Å; T63-T65 VanDerWaalsContact O-N 3.12Å; T65-Y67 PolarHBondContact O-N 2.8Å | ||
| 66 | P | 29.1 | Very low | 28.2 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 117.5 | 177.7 | 29.6 | -37.4 | 0 | 0 | 0 | 109 | I64 I82 | I64-P66 WeakPolarHBondContact O-CD 3.28Å; P66-I82 HydrophobicContact CB-CD1 4.01Å; P66-I82 HydrophobicContact CG-CD1 3.54Å; P66-I82 HydrophobicContact CG-CG1 4.47Å |
| 67 | Y | 26.4 | Very low | 28.2 | Very low | 153 Ų | 153 | 118.1 Ų | 118.1 | 60% | 0.6 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 136.9 | 166.1 | -73.6 | -83.9 | 0 | 0 | 0 | 108.6 | T42 T65 T69 | T42-Y67 HydrophobicContact CG2-CD2 3.84Å; T42-Y67 HydrophobicContact CG2-CE2 3.55Å; T65-Y67 PolarHBondContact O-N 2.8Å; Y67-T69 PolarHBondContact O-N 3.45Å |
| 68 | P | 26.8 | Very low | 28.5 | Very low | 55 Ų | 55 | 114.5 Ų | 114.5 | 36% | 0.357 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 138.3 | -176.2 | 28.8 | -34.8 | 0 | 0 | 0 | 110.8 | T77 | P68-T77 HydrophobicContact CB-CG2 3.42Å; P68-T77 VanDerWaalsContact CB-CG2 3.42Å; P68-T77 HydrophobicContact CG-CG2 3.76Å |
| 69 | T | 30.7 | Very low | 28.7 | Very low | 76 Ų | 76 | 115.4 Ų | 115.4 | 47% | 0.466 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.3 | 127.3 | -179.4 | -31 | 0 | 0 | 0 | 0 | 109.3 | Y67 T78 | Y67-T69 PolarHBondContact O-N 3.45Å; T69-T78 PolarHBondContact O-N 3.42Å |
| 70 | F | 25.5 | Very low | 28.8 | Very low | 142 Ų | 142 | 109.3 Ų | 109.3 | 62% | 0.623 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 112 | 171.7 | -76.3 | -90.4 | 0 | 0 | 0 | 108.9 | I72 | F70-I72 PolarHBondContact O-N 3.18Å; F70-I72 VanDerWaalsContact O-N 3.16Å |
| 71 | N | 28.5 | Very low | 29 | Very low | 74 Ų | 74 | 106.5 Ų | 106.5 | 40% | 0.396 | 56% | 0.563 | S | S | . | * | trans | -74.3 | 104.3 | 164.9 | -178.5 | -19.1 | 0 | 0 | 0 | 107.8 | I73 S74 K75 E76 | N71-I73 PolarHBondContact O-N 3.2Å; N71-I73 WeakPolarHBondContact OD1-CB 3.43Å; N71-I73 PolarHBondContact OD1-N 2.86Å; N71-S74 VanDerWaalsContact CB-OG 3.28Å; N71-S74 WeakPolarHBondContact CB-OG 3.05Å; N71-S74 PolarHBondContact ND2-OG 2.99Å; N71-S74 PolarHBondContact O-N 3.21Å; N71-S74 PolarHBondContact OD1-N 3.45Å; N71-S74 VanDerWaalsContact OD1-N 3.16Å; N71-K75 VanDerWaalsContact O-CA 3.3Å; N71-K75 WeakPolarHBondContact O-CA 3.43Å; N71-K75 PolarHBondContact O-N 3.28Å; N71-E76 PolarHBondContact N-O 3.17Å | ||
| 72 | I | 27.3 | Very low | 29 | Very low | 154 Ų | 154 | 106.4 Ų | 106.4 | 79% | 0.79 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -28.9 | -176.4 | -56.8 | 175 | 0 | 0 | 0 | 111.2 | F70 | F70-I72 PolarHBondContact O-N 3.18Å; F70-I72 VanDerWaalsContact O-N 3.16Å |
| 73 | I | 28.5 | Very low | 29.3 | Very low | 165 Ų | 165 | 109.3 Ų | 109.3 | 85% | 0.846 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -45 | -179.8 | -58.3 | 174.8 | 0 | 0 | 0 | 110.7 | N71 | N71-I73 PolarHBondContact O-N 3.2Å; N71-I73 WeakPolarHBondContact OD1-CB 3.43Å; N71-I73 PolarHBondContact OD1-N 2.86Å |
| 74 | S | 31.8 | Very low | 29.5 | Very low | 52 Ų | 52 | 107.6 Ų | 107.6 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | -12.7 | -178.4 | 69.9 | 0 | 0 | 0 | 0 | 114.7 | N71 E76 | N71-S74 VanDerWaalsContact CB-OG 3.28Å; N71-S74 WeakPolarHBondContact CB-OG 3.05Å; N71-S74 PolarHBondContact ND2-OG 2.99Å; N71-S74 PolarHBondContact O-N 3.21Å; N71-S74 PolarHBondContact OD1-N 3.45Å; N71-S74 VanDerWaalsContact OD1-N 3.16Å; S74-E76 PolarHBondContact O-N 2.7Å; S74-E76 VanDerWaalsContact O-N 3.12Å; S74-E76 PolarHBondContact OG-N 3.3Å |
| 75 | K | 28.5 | Very low | 29.5 | Very low | 180 Ų | 180 | 110.3 Ų | 110.3 | 78% | 0.783 | 57% | 0.569 | S | S | * | * | trans | 55.7 | 16.3 | -169.8 | -56.8 | 179.8 | 179.4 | 178.1 | 0 | 114 | N71 | N71-K75 VanDerWaalsContact O-CA 3.3Å; N71-K75 WeakPolarHBondContact O-CA 3.43Å; N71-K75 PolarHBondContact O-N 3.28Å | ||
| 76 | E | 27.3 | Very low | 29.5 | Very low | 137 Ų | 137 | 111.6 Ų | 111.6 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | trans | -91.8 | 138.7 | 178.1 | -68.4 | -176.9 | 165.3 | 0 | 0 | 111 | N71 S74 | N71-E76 PolarHBondContact N-O 3.17Å; S74-E76 PolarHBondContact O-N 2.7Å; S74-E76 VanDerWaalsContact O-N 3.12Å; S74-E76 PolarHBondContact OG-N 3.3Å | ||
| 77 | T | 27.7 | Very low | 29.4 | Very low | 76 Ų | 76 | 113.8 Ų | 113.8 | 47% | 0.466 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 97.7 | 178 | -54.6 | 0 | 0 | 0 | 0 | 108.1 | P68 K79 | P68-T77 HydrophobicContact CB-CG2 3.42Å; P68-T77 VanDerWaalsContact CB-CG2 3.42Å; P68-T77 HydrophobicContact CG-CG2 3.76Å; T77-K79 PolarHBondContact O-N 3.5Å |
| 78 | T | 32.2 | Very low | 29.6 | Very low | 94 Ų | 94 | 111.9 Ų | 111.9 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.8 | 175.6 | -8.3 | 0 | 0 | 0 | 0 | 108.8 | T69 V80 | T69-T78 PolarHBondContact O-N 3.42Å; T78-V80 PolarHBondContact O-N 3.19Å |
| 79 | K | 33 | Very low | 29.7 | Very low | 190 Ų | 190 | 114.4 Ų | 114.4 | 83% | 0.826 | 63% | 0.627 | S | S | * | * | trans | -71.4 | 116.3 | 173.8 | -171.9 | 179.9 | 177.9 | -172.2 | 0 | 108.4 | T77 D81 | T77-K79 PolarHBondContact O-N 3.5Å; K79-D81 PolarHBondContact O-N 3.48Å | ||
| 80 | V | 32.1 | Very low | 29.6 | Very low | 57 Ų | 57 | 114.9 Ų | 114.9 | 35% | 0.345 | 63% | 0.633 | S | S | . | * | trans | -75.2 | 117.9 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | T78 I82 W85 | T78-V80 PolarHBondContact O-N 3.19Å; V80-I82 PolarHBondContact O-N 3.29Å; V80-W85 HydrophobicContact CG1-CZ2 3.85Å | ||
| 81 | D | 32.5 | Very low | 29.8 | Very low | 99 Ų | 99 | 114.2 Ų | 114.2 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | trans | -88.6 | 102 | 174.8 | -169 | -7.3 | 0 | 0 | 0 | 109.7 | K79 D83 S84 | K79-D81 PolarHBondContact O-N 3.48Å; D81-D83 PolarHBondContact O-N 2.97Å; D81-D83 PolarHBondContact OD1-N 2.62Å; D81-S84 PolarHBondContact O-N 3.48Å; D81-S84 PolarHBondContact O-OG 2.68Å | ||
| 82 | I | 29.1 | Very low | 30.1 | Very low | 76 Ų | 76 | 116.1 Ų | 116.1 | 39% | 0.39 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -64.1 | -26.8 | -176.4 | -72.8 | 175 | 0 | 0 | 0 | 111.9 | P66 V80 S84 W85 | P66-I82 HydrophobicContact CB-CD1 4.01Å; P66-I82 HydrophobicContact CG-CD1 3.54Å; P66-I82 HydrophobicContact CG-CG1 4.47Å; V80-I82 PolarHBondContact O-N 3.29Å; I82-S84 PolarHBondContact O-N 2.98Å; I82-W85 WeakPolarHBondContact O-CB 3.5Å; I82-W85 PolarHBondContact O-N 2.87Å |
| 83 | D | 33.9 | Very low | 30.4 | Very low | 154 Ų | 154 | 114.8 Ų | 114.8 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -66.8 | -13.1 | -177.5 | -65.6 | -23.5 | 0 | 0 | 0 | 112.1 | D81 | D81-D83 PolarHBondContact O-N 2.97Å; D81-D83 PolarHBondContact OD1-N 2.62Å |
| 84 | S | 32.4 | Very low | 30.9 | Very low | 86 Ų | 86 | 109.1 Ų | 109.1 | 60% | 0.601 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -84.9 | -6.4 | 175.3 | 70.9 | 0 | 0 | 0 | 0 | 114.9 | D81 I82 S86 | D81-S84 PolarHBondContact O-N 3.48Å; D81-S84 PolarHBondContact O-OG 2.68Å; I82-S84 PolarHBondContact O-N 2.98Å; S84-S86 PolarHBondContact O-N 2.95Å |
| 85 | W | 28.6 | Very low | 31.1 | Very low | 137 Ų | 137 | 112.5 Ų | 112.5 | 52% | 0.519 | 65% | 0.65 | S | S | . | * | trans | -85.4 | 107 | -176.3 | -73.5 | 7.3 | 0 | 0 | 0 | 112 | V80 I82 | V80-W85 HydrophobicContact CG1-CZ2 3.85Å; I82-W85 WeakPolarHBondContact O-CB 3.5Å; I82-W85 PolarHBondContact O-N 2.87Å | ||
| 86 | S | 27.7 | Very low | 31.5 | Very low | 118 Ų | 118 | 107.7 Ų | 107.7 | 83% | 0.825 | 64% | 0.638 | S | S | * | * | trans | -91.3 | 121.1 | 167.1 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | S84 | S84-S86 PolarHBondContact O-N 2.95Š| ||
| 87 | S | 27.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 108 Ų | 108 | 80% | 0.797 | 64% | 0.639 | S | S | * | * | trans | -78.1 | 119.8 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 88 | S | 30.1 | Very low | 32.2 | Very low | 114 Ų | 114 | 109 Ų | 109 | 80% | 0.797 | 64% | 0.641 | S | S | * | * | trans | -109.9 | 106 | 161.7 | 74.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 89 | S | 29.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 107.5 Ų | 107.5 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | trans | -87.1 | 116.7 | 178.4 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 90 | S | 27.8 | Very low | 32.7 | Very low | 85 Ų | 85 | 105.7 Ų | 105.7 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | trans | -116.8 | 112.6 | 156.3 | -78.5 | 0 | 0 | 0 | 0 | 108.6 | L92 | S90-L92 PolarHBondContact O-N 3.36Š| ||
| 91 | P | 30.6 | Very low | 33 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 83% | 0.831 | 63% | 0.629 | S | S | * | * | trans | -84.4 | 97.5 | -176.4 | 31.5 | -29.8 | 0 | 0 | 0 | 109.3 | ||||
| 92 | L | 33.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 108.7 Ų | 108.7 | 60% | 0.602 | 63% | 0.631 | S | S | * | * | trans | -107.8 | 109 | 173.8 | -85.2 | 156.2 | 0 | 0 | 0 | 110.5 | S90 S94 D118 | S90-L92 PolarHBondContact O-N 3.36Å; L92-S94 PolarHBondContact O-N 3.12Å; L92-S94 PolarHBondContact O-OG 3.42Å; L92-D118 WeakPolarHBondContact CB-OD2 3.15Å; L92-D118 HydrophobicContact CD1-CB 4.32Å; L92-D118 WeakPolarHBondContact CD1-OD2 3.04Å | ||
| 93 | S | 34.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 106.5 Ų | 106.5 | 87% | 0.874 | 62% | 0.62 | S | S | * | * | trans | -36.9 | 96.6 | 177.7 | 167.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 94 | S | 39.2 | Very low | 33.8 | Very low | 46 Ų | 46 | 104.8 Ų | 104.8 | 32% | 0.322 | 62% | 0.62 | S | S | . | * | trans | -148.3 | 112.9 | 157.2 | 45.9 | 0 | 0 | 0 | 0 | 107.9 | L92 P96 P116 | L92-S94 PolarHBondContact O-N 3.12Å; L92-S94 PolarHBondContact O-OG 3.42Å; S94-P96 VanDerWaalsContact O-CD 3.28Å; S94-P96 WeakPolarHBondContact O-CD 3.31Å; S94-P96 VanDerWaalsContact O-N 3.14Å; S94-P116 VanDerWaalsContact CB-CG 3.44Å; S94-P116 WeakPolarHBondContact OG-CB 3.28Å; S94-P116 WeakPolarHBondContact OG-CD 2.97Å; S94-P116 WeakPolarHBondContact OG-CG 3.13Å | ||
| 95 | T | 36.7 | Very low | 34.2 | Very low | 124 Ų | 124 | 109.3 Ų | 109.3 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 119.9 | -173 | -49.8 | 0 | 0 | 0 | 0 | 109.4 | Q97 | T95-Q97 PolarHBondContact O-N 3.31Š|
| 96 | P | 36.9 | Very low | 35.1 | Very low | 79 Ų | 79 | 105 Ų | 105 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 130.1 | 175 | -25.2 | 34.1 | 0 | 0 | 0 | 110.1 | S94 S114 A115 | S94-P96 VanDerWaalsContact O-CD 3.28Å; S94-P96 WeakPolarHBondContact O-CD 3.31Å; S94-P96 VanDerWaalsContact O-N 3.14Å; P96-S114 CarbonylContact C-O 3.54Å; P96-S114 WeakPolarHBondContact CA-O 3.37Å; P96-A115 HydrophobicContact CB-CB 4.13Å; P96-A115 HydrophobicContact CG-CB 4.18Å |
| 97 | Q | 32.4 | Very low | 35.8 | Very low | 142 Ų | 142 | 109.8 Ų | 109.8 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.5 | 175.5 | -66.3 | -166.2 | -42 | 0 | 0 | 109.6 | T95 S114 | T95-Q97 PolarHBondContact O-N 3.31Å; Q97-S114 PolarHBondContact N-O 3.5Å; Q97-S114 PolarHBondContact O-N 3.42Å |
| 98 | I | 35.5 | Very low | 36.4 | Very low | 99 Ų | 99 | 107.3 Ų | 107.3 | 51% | 0.508 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.6 | 176.4 | -52.4 | 175.4 | 0 | 0 | 0 | 107.4 | S112 F113 | I98-S112 WeakPolarHBondContact CA-O 3.33Å; I98-F113 HydrophobicContact CD1-CD1 4.09Å; I98-F113 HydrophobicContact CD1-CE1 3.66Å; I98-F113 HydrophobicContact CG1-CD1 3.7Å; I98-F113 HydrophobicContact CG1-CE1 3.75Å; I98-F113 HydrophobicContact CG2-CD1 4.39Å; I98-F113 HydrophobicContact CG2-CE1 4.08Å; I98-F113 HydrophobicContact CG2-CZ 4.4Å |
| 99 | S | 37.7 | Very low | 36.6 | Very low | 61 Ų | 61 | 104.5 Ų | 104.5 | 43% | 0.427 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.9 | 173 | -53.3 | 0 | 0 | 0 | 0 | 109.9 | R111 S112 | S99-R111 VanDerWaalsContact O-CA 3.31Å; S99-R111 WeakPolarHBondContact O-CA 3.35Å; S99-S112 WeakPolarHBondContact CB-OG 3.49Å; S99-S112 PolarHBondContact N-O 3.38Å; S99-S112 PolarHBondContact O-N 3.17Å |
| 100 | R | 38.3 | Very low | 37.2 | Very low | 152 Ų | 152 | 101.5 Ų | 101.5 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.7 | 176.5 | 179.8 | -174.9 | 178.9 | 174.6 | 2 | 108.4 | E102 V109 Y110 | R100-E102 IonicContact CZ-OE1 3.45Å; R100-E102 IonicContact NE-OE1 2.62Å; R100-E102 PolarHBondContact NE-OE1 2.92Å; R100-E102 IonicContact NH2-OE1 3.32Å; R100-E102 PolarHBondContact NH2-OE1 3.04Å; R100-V109 HydrophobicContact CG-CG1 3.65Å; R100-Y110 WeakPolarHBondContact CA-O 3.36Å |
| 101 | I | 39.5 | Very low | 37.7 | Very low | 98 Ų | 98 | 103.3 Ų | 103.3 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.9 | 173.2 | -59.1 | 168.7 | 0 | 0 | 0 | 107.1 | Y110 | I101-Y110 PolarHBondContact N-O 3.25Å; I101-Y110 PolarHBondContact O-N 3.05Å |
| 102 | E | 34 | Very low | 38.2 | Very low | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.4 | 175.1 | -103.2 | 171.4 | 179.8 | 0 | 0 | 109.3 | R100 V109 | R100-E102 IonicContact CZ-OE1 3.45Å; R100-E102 IonicContact NE-OE1 2.62Å; R100-E102 PolarHBondContact NE-OE1 2.92Å; R100-E102 IonicContact NH2-OE1 3.32Å; R100-E102 PolarHBondContact NH2-OE1 3.04Å; E102-V109 HydrophobicContact CG-CB 4.42Å; E102-V109 HydrophobicContact CG-CG1 4.31Å; E102-V109 HydrophobicContact CG-CG2 3.76Å |
| 103 | D | 38.6 | Very low | 38.5 | Very low | 29 Ų | 29 | 100.6 Ų | 100.6 | 16% | 0.155 | 52% | 0.519 | C | S | . | . | trans | -87.8 | 113.2 | 169 | 176.8 | -7 | 0 | 0 | 0 | 108 | E105 S106 R107 H108 Y110 | D103-E105 VanDerWaalsContact C-N 3.29Å; D103-E105 PolarHBondContact O-N 3.24Å; D103-E105 PolarHBondContact OD1-N 3.36Å; D103-S106 PolarHBondContact OD1-N 2.96Å; D103-S106 WeakPolarHBondContact OD2-CB 3.39Å; D103-S106 PolarHBondContact OD2-OG 2.89Å; D103-R107 WeakPolarHBondContact O-CA 3.43Å; D103-R107 PolarHBondContact O-N 3.5Å; D103-H108 PolarHBondContact N-O 3.31Å; D103-Y110 HydrophobicContact CB-CD2 4.44Å; D103-Y110 HydrophobicContact CB-CE2 3.74Å | ||
| 104 | S | 39.3 | Very low | 38.8 | Very low | 118 Ų | 118 | 98.3 Ų | 98.3 | 83% | 0.825 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -26.3 | -177.7 | 52 | 0 | 0 | 0 | 0 | 113.2 | ||
| 105 | E | 40.7 | Very low | 38.6 | Very low | 181 Ų | 181 | 98.8 Ų | 98.8 | 85% | 0.846 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -46.8 | -174.9 | -172.3 | 169.1 | -167.9 | 0 | 0 | 110.6 | D103 | D103-E105 VanDerWaalsContact C-N 3.29Å; D103-E105 PolarHBondContact O-N 3.24Å; D103-E105 PolarHBondContact OD1-N 3.36Å |
| 106 | S | 47.8 | Very low | 38.5 | Very low | 46 Ų | 46 | 96.8 Ų | 96.8 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -10.5 | 178.3 | 77.2 | 0 | 0 | 0 | 0 | 113.6 | D103 H108 | D103-S106 PolarHBondContact OD1-N 2.96Å; D103-S106 WeakPolarHBondContact OD2-CB 3.39Å; D103-S106 PolarHBondContact OD2-OG 2.89Å; S106-H108 WeakPolarHBondContact CB-ND1 3.39Å; S106-H108 PolarHBondContact O-CE1 3.04Å; S106-H108 PolarHBondContact O-N 2.67Å; S106-H108 PolarHBondContact O-ND1 2.85Å; S106-H108 PolarHBondContact OG-N 3.29Å; S106-H108 PolarHBondContact OG-ND1 3.29Å |
| 107 | R | 42.7 | Very low | 38.5 | Very low | 219 Ų | 219 | 97.5 Ų | 97.5 | 83% | 0.826 | 50% | 0.501 | S | S | * | . | trans | 58.2 | 20 | -173.4 | -53.7 | -172.8 | 72.7 | -170.6 | 2.9 | 114.1 | D103 | D103-R107 WeakPolarHBondContact O-CA 3.43Å; D103-R107 PolarHBondContact O-N 3.5Å | ||
| 108 | H | 38.1 | Very low | 38.3 | Very low | 63 Ų | 63 | 95.6 Ų | 95.6 | 29% | 0.292 | 50% | 0.496 | S | S | . | . | trans | -83.7 | 144 | 175.8 | -66.1 | 91.5 | 0 | 0 | 0 | 110.8 | N37 D103 S106 Y110 | N37-H108 PolarHBondContact OD1-CD2 3.42Å; D103-H108 PolarHBondContact N-O 3.31Å; S106-H108 WeakPolarHBondContact CB-ND1 3.39Å; S106-H108 PolarHBondContact O-CE1 3.04Å; S106-H108 PolarHBondContact O-N 2.67Å; S106-H108 PolarHBondContact O-ND1 2.85Å; S106-H108 PolarHBondContact OG-N 3.29Å; S106-H108 PolarHBondContact OG-ND1 3.29Å; H108-Y110 HydrophobicContact CB-CD2 4.44Å; H108-Y110 HydrophobicContact CB-CE1 4.45Å; H108-Y110 HydrophobicContact CB-CE2 3.57Å; H108-Y110 WeakPolarHBondContact CB-OH 3.49Å | ||
| 109 | V | 35.6 | Very low | 38.1 | Very low | 55 Ų | 55 | 96.1 Ų | 96.1 | 33% | 0.333 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.2 | 176.6 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | R100 E102 | R100-V109 HydrophobicContact CG-CG1 3.65Å; E102-V109 HydrophobicContact CG-CB 4.42Å; E102-V109 HydrophobicContact CG-CG1 4.31Å; E102-V109 HydrophobicContact CG-CG2 3.76Å |
| 110 | Y | 41.3 | Very low | 37.6 | Very low | 44 Ų | 44 | 98.6 Ų | 98.6 | 17% | 0.173 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.4 | 179.3 | -56.1 | -89.5 | 0 | 0 | 0 | 109 | M36 N37 R100 I101 D103 H108 | M36-Y110 WeakPolarHBondContact O-CD1 3.21Å; M36-Y110 WeakPolarHBondContact O-CE1 3.17Å; N37-Y110 HydrophobicContact CB-CE1 4.24Å; R100-Y110 WeakPolarHBondContact CA-O 3.36Å; I101-Y110 PolarHBondContact N-O 3.25Å; I101-Y110 PolarHBondContact O-N 3.05Å; D103-Y110 HydrophobicContact CB-CD2 4.44Å; D103-Y110 HydrophobicContact CB-CE2 3.74Å; H108-Y110 HydrophobicContact CB-CD2 4.44Å; H108-Y110 HydrophobicContact CB-CE1 4.45Å; H108-Y110 HydrophobicContact CB-CE2 3.57Å; H108-Y110 WeakPolarHBondContact CB-OH 3.49Å |
| 111 | R | 37.6 | Very low | 37.3 | Very low | 123 Ų | 123 | 99.2 Ų | 99.2 | 46% | 0.464 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.7 | 175 | -64.6 | 179.9 | -177.8 | -126.8 | 3.1 | 108.8 | S99 F113 | S99-R111 VanDerWaalsContact O-CA 3.31Å; S99-R111 WeakPolarHBondContact O-CA 3.35Å; R111-F113 HydrophobicContact CB-CE2 4.1Å |
| 112 | S | 42.8 | Very low | 36.7 | Very low | 48 Ų | 48 | 100.8 Ų | 100.8 | 34% | 0.336 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 143.1 | 168.1 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | I98 S99 | I98-S112 WeakPolarHBondContact CA-O 3.33Å; S99-S112 WeakPolarHBondContact CB-OG 3.49Å; S99-S112 PolarHBondContact N-O 3.38Å; S99-S112 PolarHBondContact O-N 3.17Å |
| 113 | F | 38.4 | Very low | 36.5 | Very low | 139 Ų | 139 | 102.9 Ų | 102.9 | 61% | 0.61 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.5 | 174.9 | -64.5 | -94.6 | 0 | 0 | 0 | 107.5 | I98 R111 | I98-F113 HydrophobicContact CD1-CD1 4.09Å; I98-F113 HydrophobicContact CD1-CE1 3.66Å; I98-F113 HydrophobicContact CG1-CD1 3.7Å; I98-F113 HydrophobicContact CG1-CE1 3.75Å; I98-F113 HydrophobicContact CG2-CD1 4.39Å; I98-F113 HydrophobicContact CG2-CE1 4.08Å; I98-F113 HydrophobicContact CG2-CZ 4.4Å; R111-F113 HydrophobicContact CB-CE2 4.1Å |
| 114 | S | 40.7 | Very low | 36.4 | Very low | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 114.4 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | P96 Q97 | P96-S114 CarbonylContact C-O 3.54Å; P96-S114 WeakPolarHBondContact CA-O 3.37Å; Q97-S114 PolarHBondContact N-O 3.5Å; Q97-S114 PolarHBondContact O-N 3.42Å |
| 115 | A | 36.7 | Very low | 36.4 | Very low | 57 Ų | 57 | 108.3 Ų | 108.3 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | trans | -123.6 | 130.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | P96 V117 | P96-A115 HydrophobicContact CB-CB 4.13Å; P96-A115 HydrophobicContact CG-CB 4.18Å; A115-V117 PolarHBondContact O-N 3.18Å | ||
| 116 | P | 34.6 | Very low | 36.2 | Very low | 82 Ų | 82 | 104.7 Ų | 104.7 | 53% | 0.532 | 60% | 0.601 | S | S | . | * | trans | -65.7 | 132.4 | 170 | -22.4 | 37.4 | 0 | 0 | 0 | 109.2 | S94 | S94-P116 VanDerWaalsContact CB-CG 3.44Å; S94-P116 WeakPolarHBondContact OG-CB 3.28Å; S94-P116 WeakPolarHBondContact OG-CD 2.97Å; S94-P116 WeakPolarHBondContact OG-CG 3.13Å | ||
| 117 | V | 35.6 | Very low | 35.5 | Very low | 93 Ų | 93 | 107.8 Ų | 107.8 | 56% | 0.564 | 62% | 0.616 | S | S | * | * | trans | -111.6 | 119.4 | 176 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | A115 I119 | A115-V117 PolarHBondContact O-N 3.18Å; V117-I119 HydrophobicContact CG1-CG1 4.12Å; V117-I119 PolarHBondContact O-N 3.45Å | ||
| 118 | D | 29.4 | Very low | 35.1 | Very low | 103 Ų | 103 | 101.6 Ų | 101.6 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | trans | -80.9 | 112 | 169 | -91.4 | -41.3 | 0 | 0 | 0 | 109.2 | L92 | L92-D118 WeakPolarHBondContact CB-OD2 3.15Å; L92-D118 HydrophobicContact CD1-CB 4.32Å; L92-D118 WeakPolarHBondContact CD1-OD2 3.04Å | ||
| 119 | I | 31.5 | Very low | 35 | Very low | 110 Ų | 110 | 103.9 Ų | 103.9 | 56% | 0.564 | 62% | 0.623 | S | S | * | * | trans | -95.9 | 106.7 | 178.7 | -55 | 173.7 | 0 | 0 | 0 | 107.5 | V117 H121 | V117-I119 HydrophobicContact CG1-CG1 4.12Å; V117-I119 PolarHBondContact O-N 3.45Å; I119-H121 WeakPolarHBondContact CG2-NE2 3.02Å | ||
| 120 | T | 27.2 | Very low | 34.9 | Very low | 113 Ų | 113 | 106.9 Ų | 106.9 | 69% | 0.693 | 64% | 0.641 | S | S | * | * | trans | -94.1 | 112.4 | 171.2 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | T122 | T120-T122 PolarHBondContact O-N 3.26Š| ||
| 121 | H | 31 | Very low | 34.5 | Very low | 165 Ų | 165 | 111.1 Ų | 111.1 | 76% | 0.764 | 67% | 0.672 | S | S | * | * | trans | -82.4 | 109.3 | 171.8 | -57.9 | 134.1 | 0 | 0 | 0 | 109.7 | I119 | I119-H121 WeakPolarHBondContact CG2-NE2 3.02Š| ||
| 122 | T | 27.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 80% | 0.798 | 69% | 0.687 | S | S | * | * | trans | -85.3 | 112.1 | 164.6 | 19.4 | 0 | 0 | 0 | 0 | 109.2 | T120 S124 | T120-T122 PolarHBondContact O-N 3.26Å; T122-S124 PolarHBondContact O-N 3.02Å | ||
| 123 | N | 30.1 | Very low | 33.6 | Very low | 167 Ų | 167 | 115.1 Ų | 115.1 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | trans | -80.8 | 94.8 | 175.2 | -146.3 | 8.3 | 0 | 0 | 0 | 108.1 | G125 | N123-G125 PolarHBondContact O-N 3.22Š| ||
| 124 | S | 36.5 | Very low | 33.2 | Very low | 115 Ų | 115 | 113.1 Ų | 113.1 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -78.5 | 97.1 | 170.2 | 49.8 | 0 | 0 | 0 | 0 | 108.8 | T122 | T122-S124 PolarHBondContact O-N 3.02Š| ||
| 125 | G | 38.3 | Very low | 32.6 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 100% | 1.505 | 74% | 0.74 | S | S | * | * | trans | -81.8 | 0 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112 | N123 | N123-G125 PolarHBondContact O-N 3.22Š|
Retrieved 125 of 125 residues in 25 ms
(Link to these results)