| 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 | 71.9 | Confident | 80.1 | Confident | 229 Ų | 229 | 120.5 Ų | 120.5 | 100% | 1.128 | 58% | 0.583 | S | S | * | * | 0 | 98.7 | 0 | -94.3 | 175.8 | 139.4 | 0 | 0 | 103.1 | |||||
| 2 | P | 64.2 | Low | 80.5 | Confident | 67 Ų | 67 | 121.8 Ų | 121.8 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | trans | -56.8 | 143.2 | 169 | 2.3 | 11.1 | 0 | 0 | 0 | 107.3 | E6 E7 | P2-E6 VanDerWaalsContact CA-OE2 3.25Å; P2-E6 WeakPolarHBondContact CA-OE2 3.22Å; P2-E6 HydrophobicContact CB-CB 4.13Å; P2-E7 HydrophobicContact CB-CG 3.86Å; P2-E7 HydrophobicContact CG-CG 4.18Å | ||
| 3 | T | 78.9 | Confident | 80.8 | Confident | 78 Ų | 78 | 122.6 Ų | 122.6 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | trans | -74.7 | 152.2 | 172.4 | 65 | 0 | 0 | 0 | 0 | 108.4 | F5 E6 E7 | T3-F5 PolarHBondContact O-N 2.95Å; T3-E6 PolarHBondContact N-OE2 2.86Å; T3-E6 WeakPolarHBondContact O-CA 3.2Å; T3-E6 WeakPolarHBondContact O-CB 3.31Å; T3-E6 PolarHBondContact O-N 3.47Å; T3-E6 WeakPolarHBondContact OG1-CG 3.31Å; T3-E6 PolarHBondContact OG1-OE2 2.89Å; T3-E7 PolarHBondContact O-N 2.94Å; T3-E7 VanDerWaalsContact O-N 3.07Å | ||
| 4 | F | 84.5 | Confident | 81 | Confident | 133 Ų | 133 | 123.7 Ų | 123.7 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -48.9 | -33.4 | 178.2 | 178.2 | -95.2 | 0 | 0 | 0 | 113.4 | E7 E8 | F4-E7 PolarHBondContact O-N 2.99Å; F4-E8 HydrophobicContact CE1-CG 4.04Å; F4-E8 VanDerWaalsContact CE1-OE1 3.26Å; F4-E8 WeakPolarHBondContact CE1-OE1 3.46Å; F4-E8 WeakPolarHBondContact CE1-OE2 3.35Å; F4-E8 HydrophobicContact CZ-CG 4.12Å; F4-E8 VanDerWaalsContact CZ-OE1 3.29Å; F4-E8 WeakPolarHBondContact CZ-OE1 3.45Å; F4-E8 PolarHBondContact O-N 3.16Å |
| 5 | F | 82.8 | Confident | 81.1 | Confident | 153 Ų | 153 | 124.7 Ų | 124.7 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70 | -35.5 | 174.4 | -79.5 | -80.6 | 0 | 0 | 0 | 114 | T3 E7 E9 | T3-F5 PolarHBondContact O-N 2.95Å; F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E9 PolarHBondContact O-N 2.86Å |
| 6 | E | 85 | Confident | 81.1 | Confident | 98 Ų | 98 | 125.7 Ų | 125.7 | 46% | 0.458 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.7 | -32.4 | 174.9 | -68.4 | 168.9 | 150.9 | 0 | 0 | 110.7 | P2 T3 E10 | P2-E6 VanDerWaalsContact CA-OE2 3.25Å; P2-E6 WeakPolarHBondContact CA-OE2 3.22Å; P2-E6 HydrophobicContact CB-CB 4.13Å; T3-E6 PolarHBondContact N-OE2 2.86Å; T3-E6 WeakPolarHBondContact O-CA 3.2Å; T3-E6 WeakPolarHBondContact O-CB 3.31Å; T3-E6 PolarHBondContact O-N 3.47Å; T3-E6 WeakPolarHBondContact OG1-CG 3.31Å; T3-E6 PolarHBondContact OG1-OE2 2.89Å; E6-E10 WeakPolarHBondContact O-CG 3.43Å; E6-E10 PolarHBondContact O-N 2.82Å; E6-E10 VanDerWaalsContact O-N 3.14Å |
| 7 | E | 81 | Confident | 81.1 | Confident | 92 Ų | 92 | 126.5 Ų | 126.5 | 43% | 0.43 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.5 | -39.7 | 174.3 | -60.9 | -178.7 | 161.5 | 0 | 0 | 111.7 | P2 T3 F4 F5 E11 | P2-E7 HydrophobicContact CB-CG 3.86Å; P2-E7 HydrophobicContact CG-CG 4.18Å; T3-E7 PolarHBondContact O-N 2.94Å; T3-E7 VanDerWaalsContact O-N 3.07Å; F4-E7 PolarHBondContact O-N 2.99Å; F5-E7 VanDerWaalsContact C-N 3.32Å; E7-E11 PolarHBondContact O-N 3.33Å; E7-E11 VanDerWaalsContact O-N 3.08Å |
| 8 | E | 83 | Confident | 80.8 | Confident | 88 Ų | 88 | 127.3 Ų | 127.3 | 41% | 0.411 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.5 | -40.4 | 174.1 | -85 | -176.1 | 158.2 | 0 | 0 | 112.7 | F4 E11 E12 | F4-E8 HydrophobicContact CE1-CG 4.04Å; F4-E8 VanDerWaalsContact CE1-OE1 3.26Å; F4-E8 WeakPolarHBondContact CE1-OE1 3.46Å; F4-E8 WeakPolarHBondContact CE1-OE2 3.35Å; F4-E8 HydrophobicContact CZ-CG 4.12Å; F4-E8 VanDerWaalsContact CZ-OE1 3.29Å; F4-E8 WeakPolarHBondContact CZ-OE1 3.45Å; F4-E8 PolarHBondContact O-N 3.16Å; E8-E11 PolarHBondContact O-N 2.92Å; E8-E12 PolarHBondContact O-N 3.02Å |
| 9 | E | 85.3 | Confident | 80.5 | Confident | 130 Ų | 130 | 127.9 Ų | 127.9 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.7 | -41.5 | 175.5 | -96.7 | -179.4 | 159.7 | 0 | 0 | 111.9 | F5 E12 E13 | F5-E9 PolarHBondContact O-N 2.86Å; E9-E12 PolarHBondContact O-N 2.83Å; E9-E13 WeakPolarHBondContact O-CG 3.41Å; E9-E13 PolarHBondContact O-N 2.94Å |
| 10 | E | 82.7 | Confident | 80.2 | Confident | 124 Ų | 124 | 128.8 Ų | 128.8 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.3 | -38.4 | 175.7 | -78.9 | -178.1 | 170.5 | 0 | 0 | 111.9 | E6 E13 E14 | E6-E10 WeakPolarHBondContact O-CG 3.43Å; E6-E10 PolarHBondContact O-N 2.82Å; E6-E10 VanDerWaalsContact O-N 3.14Å; E10-E13 PolarHBondContact O-N 3.49Å; E10-E14 PolarHBondContact O-N 2.9Å |
| 11 | E | 82.2 | Confident | 79.7 | Confident | 134 Ų | 134 | 129.5 Ų | 129.5 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.5 | -39.6 | 175.5 | -77.2 | -175.5 | 172.2 | 0 | 0 | 112.5 | E7 E8 E14 E15 | E7-E11 PolarHBondContact O-N 3.33Å; E7-E11 VanDerWaalsContact O-N 3.08Å; E8-E11 PolarHBondContact O-N 2.92Å; E11-E14 PolarHBondContact O-N 3.02Å; E11-E15 PolarHBondContact O-N 2.86Å |
| 12 | E | 85 | Confident | 79.4 | Confident | 135 Ų | 135 | 125.8 Ų | 125.8 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.9 | -39.2 | 174.9 | -77.2 | -172.6 | 168 | 0 | 0 | 111.9 | E8 E9 E15 E16 | E8-E12 PolarHBondContact O-N 3.02Å; E9-E12 PolarHBondContact O-N 2.83Å; E12-E15 PolarHBondContact O-N 2.88Å; E12-E16 PolarHBondContact O-N 3.24Å |
| 13 | E | 84.6 | Confident | 79.4 | Confident | 133 Ų | 133 | 129.8 Ų | 129.8 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.1 | -39.5 | 175.4 | -75.1 | -173.5 | 171.4 | 0 | 0 | 112.1 | E9 E10 E16 E17 | E9-E13 WeakPolarHBondContact O-CG 3.41Å; E9-E13 PolarHBondContact O-N 2.94Å; E10-E13 PolarHBondContact O-N 3.49Å; E13-E16 PolarHBondContact O-N 3.25Å; E13-E17 PolarHBondContact O-N 3.19Å |
| 14 | E | 83.5 | Confident | 78.5 | Confident | 138 Ų | 138 | 133.6 Ų | 133.6 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66 | -39.1 | 175.1 | -75.4 | -172.5 | 172 | 0 | 0 | 112.2 | E10 E11 E17 E18 | E10-E14 PolarHBondContact O-N 2.9Å; E11-E14 PolarHBondContact O-N 3.02Å; E14-E17 PolarHBondContact O-N 3.47Å; E14-E18 PolarHBondContact O-N 3.37Å |
| 15 | E | 82.7 | Confident | 77.3 | Confident | 139 Ų | 139 | 135 Ų | 135 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66 | -40 | 175.2 | -76.2 | -170 | 168 | 0 | 0 | 112.2 | E11 E12 E18 E19 | E11-E15 PolarHBondContact O-N 2.86Å; E12-E15 PolarHBondContact O-N 2.88Å; E15-E18 PolarHBondContact O-N 3.22Å; E15-E19 PolarHBondContact O-N 3.2Å |
| 16 | E | 81.2 | Confident | 76.1 | Confident | 140 Ų | 140 | 136.4 Ų | 136.4 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.9 | -39.1 | 175.2 | -75.1 | -168.8 | 167.1 | 0 | 0 | 112.1 | E12 E13 E19 E20 | E12-E16 PolarHBondContact O-N 3.24Å; E13-E16 PolarHBondContact O-N 3.25Å; E16-E19 PolarHBondContact O-N 3.13Å; E16-E20 PolarHBondContact O-N 2.81Å |
| 17 | E | 79.6 | Confident | 74.8 | Confident | 139 Ų | 139 | 135.3 Ų | 135.3 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.4 | -40 | 174.7 | -76.5 | -168.7 | 166.3 | 0 | 0 | 112.1 | E13 E14 E20 E21 | E13-E17 PolarHBondContact O-N 3.19Å; E14-E17 PolarHBondContact O-N 3.47Å; E17-E20 PolarHBondContact O-N 2.76Å; E17-E21 PolarHBondContact O-N 3.15Å |
| 18 | E | 76 | Confident | 73.6 | Confident | 141 Ų | 141 | 138.3 Ų | 138.3 | 66% | 0.659 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 175.1 | -76.8 | -167.2 | 165.8 | 0 | 0 | 112.3 | E14 E15 E21 E22 | E14-E18 PolarHBondContact O-N 3.37Å; E15-E18 PolarHBondContact O-N 3.22Å; E18-E21 PolarHBondContact O-N 3.41Å; E18-E22 PolarHBondContact O-N 3.48Å; E18-E22 VanDerWaalsContact O-N 3.07Å |
| 19 | E | 75.8 | Confident | 72.6 | Confident | 139 Ų | 139 | 140.9 Ų | 140.9 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | 175.5 | -75.7 | -166 | 164.8 | 0 | 0 | 112.2 | E15 E16 E22 E23 | E15-E19 PolarHBondContact O-N 3.2Å; E16-E19 PolarHBondContact O-N 3.13Å; E19-E22 PolarHBondContact O-N 3.38Å; E19-E23 PolarHBondContact O-N 3.02Å |
| 20 | E | 74 | Confident | 71.6 | Confident | 146 Ų | 146 | 139.9 Ų | 139.9 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.4 | -39.1 | 175.3 | -76.7 | -164 | 161.9 | 0 | 0 | 112.3 | E16 E17 E23 E24 | E16-E20 PolarHBondContact O-N 2.81Å; E17-E20 PolarHBondContact O-N 2.76Å; E20-E23 PolarHBondContact O-N 3.34Å; E20-E24 PolarHBondContact O-N 3.15Å |
| 21 | E | 70.2 | Confident | 70.6 | Confident | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.673 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.4 | -38.3 | 175.1 | -74.6 | -164.9 | 164.8 | 0 | 0 | 112.2 | E17 E18 E24 E25 | E17-E21 PolarHBondContact O-N 3.15Å; E18-E21 PolarHBondContact O-N 3.41Å; E21-E24 PolarHBondContact O-N 3.07Å; E21-E25 PolarHBondContact O-N 3.02Å |
| 22 | E | 64.4 | Low | 69.6 | Low | 150 Ų | 150 | 143.5 Ų | 143.5 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -66.8 | -40 | 174.5 | -77.3 | -162.5 | 160 | 0 | 0 | 112.4 | E18 E19 E25 E26 | E18-E22 PolarHBondContact O-N 3.48Å; E18-E22 VanDerWaalsContact O-N 3.07Å; E19-E22 PolarHBondContact O-N 3.38Å; E22-E25 PolarHBondContact O-N 3.41Å; E22-E26 PolarHBondContact O-N 3.17Å; E22-E26 VanDerWaalsContact O-N 3.15Å |
| 23 | E | 64.2 | Low | 68.8 | Low | 152 Ų | 152 | 142.1 Ų | 142.1 | 71% | 0.71 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -66.5 | -35.6 | 176 | -74.3 | -161 | 164.5 | 0 | 0 | 112.4 | E19 E20 E26 | E19-E23 PolarHBondContact O-N 3.02Å; E20-E23 PolarHBondContact O-N 3.34Å; E23-E26 PolarHBondContact O-N 3.04Å |
| 24 | E | 60.6 | Low | 68.1 | Low | 158 Ų | 158 | 140.5 Ų | 140.5 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 173.8 | -82.6 | -159.1 | 155.2 | 0 | 0 | 112 | E20 E21 S27 | E20-E24 PolarHBondContact O-N 3.15Å; E21-E24 PolarHBondContact O-N 3.07Å; E24-S27 PolarHBondContact O-N 3.45Å; E24-S27 PolarHBondContact O-OG 3.05Å |
| 25 | E | 59.5 | Low | 67.6 | Low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.7 | -30.2 | 177.2 | -74.4 | -147.9 | 153.8 | 0 | 0 | 113.5 | E21 E22 S27 | E21-E25 PolarHBondContact O-N 3.02Å; E22-E25 PolarHBondContact O-N 3.41Å; E25-S27 VanDerWaalsContact C-N 3.26Å; E25-S27 PolarHBondContact O-N 3.39Å |
| 26 | E | 57.5 | Low | 67.1 | Low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.4 | -17.1 | 177.6 | -89.6 | -159.2 | 152.3 | 0 | 0 | 113.7 | E22 E23 L28 | E22-E26 PolarHBondContact O-N 3.17Å; E22-E26 VanDerWaalsContact O-N 3.15Å; E23-E26 PolarHBondContact O-N 3.04Å; E26-L28 PolarHBondContact O-N 3.43Å |
| 27 | S | 57.1 | Low | 66.8 | Low | 75 Ų | 75 | 139.4 Ų | 139.4 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.3 | 39.9 | -179.3 | 74.9 | 0 | 0 | 0 | 0 | 114.3 | E24 E25 D29 | E24-S27 PolarHBondContact O-N 3.45Å; E24-S27 PolarHBondContact O-OG 3.05Å; E25-S27 VanDerWaalsContact C-N 3.26Å; E25-S27 PolarHBondContact O-N 3.39Å; S27-D29 PolarHBondContact O-N 3.46Å |
| 28 | L | 56.4 | Low | 66.4 | Low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | -71.5 | 72.6 | 164.3 | -74.1 | 170.4 | 0 | 0 | 0 | 110.4 | E26 C30 | E26-L28 PolarHBondContact O-N 3.43Å; L28-C30 PolarHBondContact O-N 3.05Å | ||
| 29 | D | 62.1 | Low | 66.2 | Low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | -56.5 | 124 | 170.3 | -88.7 | -32.3 | 0 | 0 | 0 | 108.7 | S27 E31 | S27-D29 PolarHBondContact O-N 3.46Å; D29-E31 VanDerWaalsContact C-N 3.33Å; D29-E31 PolarHBondContact O-N 3.03Å | ||
| 30 | C | 63.9 | Low | 66.2 | Low | 109 Ų | 109 | 133.8 Ų | 133.8 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | trans | -67 | 92.8 | 175.6 | -72.2 | 0 | 0 | 0 | 0 | 109.4 | L28 N32 | L28-C30 PolarHBondContact O-N 3.05Å; C30-N32 PolarHBondContact O-N 3.47Å; C30-N32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | E | 62.4 | Low | 66.2 | Low | 177 Ų | 177 | 134.3 Ų | 134.3 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | trans | -63 | 116.6 | 174 | -71.1 | -166.6 | 152.9 | 0 | 0 | 110.1 | D29 I33 | D29-E31 VanDerWaalsContact C-N 3.33Å; D29-E31 PolarHBondContact O-N 3.03Å; E31-I33 PolarHBondContact O-N 3.03Å | ||
| 32 | N | 62.1 | Low | 66.5 | Low | 158 Ų | 158 | 131.3 Ų | 131.3 | 85% | 0.845 | 67% | 0.674 | S | S | * | * | trans | 13.1 | 87.4 | 169.3 | -69.8 | -60.1 | 0 | 0 | 0 | 116.1 | C30 V34 | C30-N32 PolarHBondContact O-N 3.47Å; C30-N32 VanDerWaalsContact O-N 3.13Å; N32-V34 PolarHBondContact O-N 3.41Å | ||
| 33 | I | 66.9 | Low | 66.8 | Low | 106 Ų | 106 | 127.7 Ų | 127.7 | 54% | 0.544 | 66% | 0.656 | S | S | . | * | trans | -76.4 | 111.2 | 178 | -59 | 173.5 | 0 | 0 | 0 | 110.1 | E31 L35 | E31-I33 PolarHBondContact O-N 3.03Å; I33-L35 HydrophobicContact CG2-CD2 4.01Å; I33-L35 HydrophobicContact CG2-CG 4.02Å | ||
| 34 | V | 71.2 | Confident | 66.9 | Low | 99 Ų | 99 | 124.6 Ų | 124.6 | 60% | 0.6 | 65% | 0.65 | S | S | * | * | trans | -98.4 | 117.4 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | N32 Y36 | N32-V34 PolarHBondContact O-N 3.41Å; V34-Y36 HydrophobicContact CB-CE2 4.49Å; V34-Y36 HydrophobicContact CG1-CD2 4.36Å; V34-Y36 HydrophobicContact CG1-CE1 4.47Å; V34-Y36 HydrophobicContact CG1-CE2 3.65Å | ||
| 35 | L | 71.7 | Confident | 67.3 | Low | 85 Ų | 85 | 119.8 Ų | 119.8 | 45% | 0.445 | 63% | 0.634 | S | S | . | * | trans | -109.1 | 133.4 | 176.2 | -60.3 | 176.4 | 0 | 0 | 0 | 111.7 | I33 F37 W50 L59 | I33-L35 HydrophobicContact CG2-CD2 4.01Å; I33-L35 HydrophobicContact CG2-CG 4.02Å; L35-F37 HydrophobicContact CB-CE1 4.15Å; L35-F37 HydrophobicContact CB-CE2 3.6Å; L35-F37 HydrophobicContact CB-CZ 3.24Å; L35-F37 HydrophobicContact CD1-CZ 3.76Å; L35-F37 HydrophobicContact CG-CZ 4.1Å; L35-W50 HydrophobicContact CD1-CH2 3.75Å; L35-W50 HydrophobicContact CD1-CZ3 4.14Å; L35-W50 HydrophobicContact CG-CH2 4.47Å; L35-L59 HydrophobicContact CD1-CD2 4.3Å | ||
| 36 | Y | 73 | Confident | 68 | Low | 206 Ų | 206 | 114.6 Ų | 114.6 | 81% | 0.808 | 62% | 0.616 | S | S | * | * | trans | -108.4 | 131.9 | 175.9 | -63.1 | -87.6 | 0 | 0 | 0 | 110.6 | V34 | V34-Y36 HydrophobicContact CB-CE2 4.49Å; V34-Y36 HydrophobicContact CG1-CD2 4.36Å; V34-Y36 HydrophobicContact CG1-CE1 4.47Å; V34-Y36 HydrophobicContact CG1-CE2 3.65Å | ||
| 37 | F | 73.4 | Confident | 68.7 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 45% | 0.452 | 61% | 0.61 | S | S | . | * | trans | -125.6 | 134.5 | 176.7 | -47.2 | -78.4 | 0 | 0 | 0 | 110.1 | L35 L59 | L35-F37 HydrophobicContact CB-CE1 4.15Å; L35-F37 HydrophobicContact CB-CE2 3.6Å; L35-F37 HydrophobicContact CB-CZ 3.24Å; L35-F37 HydrophobicContact CD1-CZ 3.76Å; L35-F37 HydrophobicContact CG-CZ 4.1Å; F37-L59 HydrophobicContact CD2-CD2 4.42Å; F37-L59 HydrophobicContact CE1-CD2 3.58Å; F37-L59 HydrophobicContact CE2-CD2 3.44Å; F37-L59 VanDerWaalsContact CE2-CD2 3.44Å; F37-L59 HydrophobicContact CZ-CD2 2.93Å; F37-L59 HydrophobicContact CZ-CG 4.44Å | ||
| 38 | T | 71.5 | Confident | 69.6 | Low | 149 Ų | 149 | 114.5 Ų | 114.5 | 91% | 0.914 | 61% | 0.607 | S | S | * | * | trans | -103.7 | 137.5 | 171.7 | 53.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 39 | C | 72.7 | Confident | 70.6 | Confident | 58 Ų | 58 | 111.9 Ų | 111.9 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | trans | -115.7 | 135.4 | 178.8 | -163.4 | 0 | 0 | 0 | 0 | 109.4 | F43 L63 | C39-F43 WeakPolarHBondContact SG-CB 3.49Å; C39-L63 WeakPolarHBondContact SG-CD2 3.43Å | ||
| 40 | N | 75 | Confident | 71.3 | Confident | 94 Ų | 94 | 111.4 Ų | 111.4 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | trans | -66.8 | 141.2 | 176.7 | -175.5 | -61.8 | 0 | 0 | 0 | 109.7 | N42 F43 | N40-N42 PolarHBondContact O-N 3.44Å; N40-N42 PolarHBondContact OD1-N 3.06Å; N40-N42 VanDerWaalsContact OD1-N 3.16Å; N40-N42 PolarHBondContact OD1-ND2 3.44Å; N40-F43 HydrophobicContact CB-CD2 3.91Å; N40-F43 HydrophobicContact CB-CE2 4.13Å; N40-F43 PolarHBondContact O-N 3.07Å | ||
| 41 | I | 73.9 | Confident | 71.8 | Confident | 156 Ų | 156 | 109.3 Ų | 109.3 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -21.9 | -175.1 | -160.3 | 163 | 0 | 0 | 0 | 114.2 | F43 | I41-F43 PolarHBondContact O-N 3.45Š|
| 42 | N | 77 | Confident | 72.5 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | -12.1 | 175.4 | -67.3 | -48 | 0 | 0 | 0 | 114.2 | N40 R65 S66 | N40-N42 PolarHBondContact O-N 3.44Å; N40-N42 PolarHBondContact OD1-N 3.06Å; N40-N42 VanDerWaalsContact OD1-N 3.16Å; N40-N42 PolarHBondContact OD1-ND2 3.44Å; N42-R65 WeakPolarHBondContact O-CG 3.46Å; N42-S66 PolarHBondContact O-N 3.42Å |
| 43 | F | 70.2 | Confident | 72.9 | Confident | 73 Ų | 73 | 103.3 Ų | 103.3 | 32% | 0.32 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.3 | 176.7 | -60.1 | -87.6 | 0 | 0 | 0 | 108.8 | C39 N40 I41 L63 R64 R65 | C39-F43 WeakPolarHBondContact SG-CB 3.49Å; N40-F43 HydrophobicContact CB-CD2 3.91Å; N40-F43 HydrophobicContact CB-CE2 4.13Å; N40-F43 PolarHBondContact O-N 3.07Å; I41-F43 PolarHBondContact O-N 3.45Å; F43-L63 HydrophobicContact CD1-CB 3.7Å; F43-L63 HydrophobicContact CE1-CB 4.13Å; F43-L63 HydrophobicContact CG-CB 4.17Å; F43-L63 HydrophobicContact CG-CD1 4.49Å; F43-R64 CarbonylContact C-O 3.5Å; F43-R64 VanDerWaalsContact CA-O 3.31Å; F43-R64 WeakPolarHBondContact CA-O 3.44Å; F43-R65 HydrophobicContact CD1-CB 4.13Å; F43-R65 HydrophobicContact CD1-CG 4.28Å; F43-R65 HydrophobicContact CE1-CB 4.28Å; F43-R65 HydrophobicContact CE1-CG 4.3Å |
| 44 | C | 66.3 | Low | 73.3 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -9 | -173.6 | -102.9 | 0 | 0 | 0 | 0 | 114.4 | R64 S66 | C44-R64 PolarHBondContact N-O 3.07Å; C44-S66 WeakPolarHBondContact CB-OG 3.25Å; C44-S66 WeakPolarHBondContact SG-CB 3.45Å; C44-S66 PolarHBondContact SG-OG 2.78Å |
| 45 | S | 69.9 | Low | 73.6 | Confident | 57 Ų | 57 | 103.5 Ų | 103.5 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -153.4 | 137.4 | 176.4 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | R64 | S45-R64 PolarHBondContact O-N 3.45Å; S45-R64 VanDerWaalsContact OG-CB 3.31Å; S45-R64 WeakPolarHBondContact OG-CB 3.38Å |
| 46 | S | 73 | Confident | 73.5 | Confident | 53 Ų | 53 | 103 Ų | 103 | 37% | 0.371 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.7 | 164.1 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | H48 G62 | S46-H48 WeakPolarHBondContact CB-NE2 3.29Å; S46-H48 PolarHBondContact OG-NE2 3.5Å; S46-G62 CarbonylContact C-O 3.57Å; S46-G62 WeakPolarHBondContact CA-O 3.49Å |
| 47 | Q | 72.2 | Confident | 73.6 | Confident | 159 Ų | 159 | 97.3 Ų | 97.3 | 74% | 0.743 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.3 | 164.4 | -83.9 | -177.6 | -18.6 | 0 | 0 | 108.3 | V61 G62 | Q47-V61 CarbonylContact O-C 3.59Å; Q47-V61 WeakPolarHBondContact O-CA 3.26Å; Q47-G62 PolarHBondContact N-O 3.04Å; Q47-G62 PolarHBondContact O-N 2.99Å |
| 48 | H | 76.5 | Confident | 73.7 | Confident | 97 Ų | 97 | 98.6 Ų | 98.6 | 45% | 0.449 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.7 | -173.3 | -53.7 | -128.3 | 0 | 0 | 0 | 106.9 | S46 | S46-H48 WeakPolarHBondContact CB-NE2 3.29Å; S46-H48 PolarHBondContact OG-NE2 3.5Å |
| 49 | L | 77 | Confident | 74.1 | Confident | 100 Ų | 100 | 93.6 Ų | 93.6 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124 | 174.7 | -176.6 | 67.5 | 0 | 0 | 0 | 109.1 | I51 M60 | L49-I51 HydrophobicContact CD2-CD1 4.35Å; L49-I51 HydrophobicContact CD2-CG1 4.29Å; L49-I51 HydrophobicContact CG-CG1 4.3Å; L49-M60 HydrophobicContact CD2-CE 3.78Å; L49-M60 PolarHBondContact N-O 3.02Å; L49-M60 PolarHBondContact O-N 3.04Å |
| 50 | W | 77.4 | Confident | 74.3 | Confident | 132 Ų | 132 | 95.5 Ų | 95.5 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.5 | 172.7 | -63 | 92.6 | 0 | 0 | 0 | 109.2 | L35 I57 L59 | L35-W50 HydrophobicContact CD1-CH2 3.75Å; L35-W50 HydrophobicContact CD1-CZ3 4.14Å; L35-W50 HydrophobicContact CG-CH2 4.47Å; W50-I57 HydrophobicContact CE3-CG2 3.44Å; W50-I57 VanDerWaalsContact CE3-CG2 3.44Å; W50-I57 HydrophobicContact CZ3-CG2 3.61Å; W50-L59 HydrophobicContact CD2-CD1 3.59Å; W50-L59 HydrophobicContact CE3-CB 4.14Å; W50-L59 HydrophobicContact CE3-CD1 3.91Å; W50-L59 HydrophobicContact CG-CD1 4.09Å; W50-L59 HydrophobicContact CH2-CD1 4.2Å; W50-L59 HydrophobicContact CH2-CD2 4.42Å; W50-L59 HydrophobicContact CZ2-CD1 3.85Å; W50-L59 HydrophobicContact CZ3-CB 4.11Å; W50-L59 HydrophobicContact CZ3-CD1 4.2Å |
| 51 | I | 75.5 | Confident | 74.5 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 33% | 0.328 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.5 | 172.7 | -59.8 | -178.1 | 0 | 0 | 0 | 107.2 | L49 T53 K58 M60 | L49-I51 HydrophobicContact CD2-CD1 4.35Å; L49-I51 HydrophobicContact CD2-CG1 4.29Å; L49-I51 HydrophobicContact CG-CG1 4.3Å; I51-T53 HydrophobicContact CG2-CG2 3.97Å; I51-K58 HydrophobicContact CB-CB 4.3Å; I51-K58 PolarHBondContact N-O 3.02Å; I51-K58 PolarHBondContact O-N 3.41Å; I51-M60 HydrophobicContact CD1-CE 3.35Å; I51-M60 HydrophobicContact CD1-SD 4.44Å; I51-M60 HydrophobicContact CG1-CE 4.27Å |
| 52 | L | 75.2 | Confident | 74.7 | Confident | 131 Ų | 131 | 88.5 Ų | 88.5 | 69% | 0.686 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.1 | 173.8 | -59.5 | 173.1 | 0 | 0 | 0 | 108 | I57 | L52-I57 HydrophobicContact CD2-CB 4.23Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CD2-CG1 3.63Å; L52-I57 HydrophobicContact CD2-CG2 4.05Å |
| 53 | T | 71 | Confident | 74.7 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 93 | 175.4 | 42.9 | 0 | 0 | 0 | 0 | 109.3 | I51 V56 | I51-T53 HydrophobicContact CG2-CG2 3.97Å; T53-V56 PolarHBondContact N-O 3.02Å; T53-V56 PolarHBondContact O-N 3.14Å; T53-V56 PolarHBondContact OG1-O 3.08Å |
| 54 | G | 76.3 | Confident | 75 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 76% | 0.763 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -131.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V56 | G54-V56 PolarHBondContact O-N 3.41Š|
| 55 | P | 76.9 | Confident | 75.5 | Confident | 136 Ų | 136 | 98.5 Ų | 98.5 | 88% | 0.883 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 0.1 | 179.4 | 32.7 | -35.5 | 0 | 0 | 0 | 113.3 | ||
| 56 | V | 69.4 | Low | 75.4 | Confident | 74 Ų | 74 | 97.6 Ų | 97.6 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.5 | -174.2 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | T53 G54 K58 | T53-V56 PolarHBondContact N-O 3.02Å; T53-V56 PolarHBondContact O-N 3.14Å; T53-V56 PolarHBondContact OG1-O 3.08Å; G54-V56 PolarHBondContact O-N 3.41Å; V56-K58 HydrophobicContact CG1-CG 4.42Å |
| 57 | I | 75.7 | Confident | 75.1 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.2 | 169.6 | -54.1 | -172.9 | 0 | 0 | 0 | 108.8 | W50 L52 | W50-I57 HydrophobicContact CE3-CG2 3.44Å; W50-I57 VanDerWaalsContact CE3-CG2 3.44Å; W50-I57 HydrophobicContact CZ3-CG2 3.61Å; L52-I57 HydrophobicContact CD2-CB 4.23Å; L52-I57 HydrophobicContact CD2-CD1 4.01Å; L52-I57 HydrophobicContact CD2-CG1 3.63Å; L52-I57 HydrophobicContact CD2-CG2 4.05Å |
| 58 | K | 75.2 | Confident | 74.5 | Confident | 130 Ų | 130 | 106.2 Ų | 106.2 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.4 | 170.1 | -86 | -179.7 | 178.5 | 170.5 | 0 | 110.4 | I51 V56 | I51-K58 HydrophobicContact CB-CB 4.3Å; I51-K58 PolarHBondContact N-O 3.02Å; I51-K58 PolarHBondContact O-N 3.41Å; V56-K58 HydrophobicContact CG1-CG 4.42Å |
| 59 | L | 79.5 | Confident | 74.4 | Confident | 43 Ų | 43 | 106.7 Ų | 106.7 | 23% | 0.225 | 56% | 0.559 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.9 | 168.1 | -179.1 | 72.2 | 0 | 0 | 0 | 110.2 | L35 F37 W50 V61 | L35-L59 HydrophobicContact CD1-CD2 4.3Å; F37-L59 HydrophobicContact CD2-CD2 4.42Å; F37-L59 HydrophobicContact CE1-CD2 3.58Å; F37-L59 HydrophobicContact CE2-CD2 3.44Å; F37-L59 VanDerWaalsContact CE2-CD2 3.44Å; F37-L59 HydrophobicContact CZ-CD2 2.93Å; F37-L59 HydrophobicContact CZ-CG 4.44Å; W50-L59 HydrophobicContact CD2-CD1 3.59Å; W50-L59 HydrophobicContact CE3-CB 4.14Å; W50-L59 HydrophobicContact CE3-CD1 3.91Å; W50-L59 HydrophobicContact CG-CD1 4.09Å; W50-L59 HydrophobicContact CH2-CD1 4.2Å; W50-L59 HydrophobicContact CH2-CD2 4.42Å; W50-L59 HydrophobicContact CZ2-CD1 3.85Å; W50-L59 HydrophobicContact CZ3-CB 4.11Å; W50-L59 HydrophobicContact CZ3-CD1 4.2Å; L59-V61 HydrophobicContact CD2-CG2 3.79Å; L59-V61 HydrophobicContact CG-CG2 3.94Å |
| 60 | M | 78.3 | Confident | 74.2 | Confident | 99 Ų | 99 | 107.1 Ų | 107.1 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.3 | 167.2 | -69.8 | -167.5 | -59.7 | 0 | 0 | 110.3 | L49 I51 | L49-M60 HydrophobicContact CD2-CE 3.78Å; L49-M60 PolarHBondContact N-O 3.02Å; L49-M60 PolarHBondContact O-N 3.04Å; I51-M60 HydrophobicContact CD1-CE 3.35Å; I51-M60 HydrophobicContact CD1-SD 4.44Å; I51-M60 HydrophobicContact CG1-CE 4.27Å |
| 61 | V | 78.2 | Confident | 74.1 | Confident | 60 Ų | 60 | 105.7 Ų | 105.7 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 107.6 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 109 | Q47 L59 L63 | Q47-V61 CarbonylContact O-C 3.59Å; Q47-V61 WeakPolarHBondContact O-CA 3.26Å; L59-V61 HydrophobicContact CD2-CG2 3.79Å; L59-V61 HydrophobicContact CG-CG2 3.94Å; V61-L63 HydrophobicContact CG1-CD2 3.88Å; V61-L63 HydrophobicContact CG1-CG 4.39Å |
| 62 | G | 78.7 | Confident | 74 | Confident | 42 Ų | 42 | 108.1 Ų | 108.1 | 43% | 0.433 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 117.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S46 Q47 | S46-G62 CarbonylContact C-O 3.57Å; S46-G62 WeakPolarHBondContact CA-O 3.49Å; Q47-G62 PolarHBondContact N-O 3.04Å; Q47-G62 PolarHBondContact O-N 2.99Å |
| 63 | L | 76.9 | Confident | 73.9 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 44% | 0.44 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100 | 127.3 | 175.9 | -61.8 | -177 | 0 | 0 | 0 | 110.7 | C39 F43 V61 | C39-L63 WeakPolarHBondContact SG-CD2 3.43Å; F43-L63 HydrophobicContact CD1-CB 3.7Å; F43-L63 HydrophobicContact CE1-CB 4.13Å; F43-L63 HydrophobicContact CG-CB 4.17Å; F43-L63 HydrophobicContact CG-CD1 4.49Å; V61-L63 HydrophobicContact CG1-CD2 3.88Å; V61-L63 HydrophobicContact CG1-CG 4.39Å |
| 64 | R | 77.1 | Confident | 74.1 | Confident | 194 Ų | 194 | 108.6 Ų | 108.6 | 73% | 0.732 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.6 | 174.9 | -139.6 | 177.6 | -173 | -174.4 | 1.9 | 110.4 | F43 C44 S45 | F43-R64 CarbonylContact C-O 3.5Å; F43-R64 VanDerWaalsContact CA-O 3.31Å; F43-R64 WeakPolarHBondContact CA-O 3.44Å; C44-R64 PolarHBondContact N-O 3.07Å; S45-R64 PolarHBondContact O-N 3.45Å; S45-R64 VanDerWaalsContact OG-CB 3.31Å; S45-R64 WeakPolarHBondContact OG-CB 3.38Å |
| 65 | R | 76.2 | Confident | 74 | Confident | 175 Ų | 175 | 111.1 Ų | 111.1 | 66% | 0.66 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.8 | 135 | -179.7 | -150.5 | 177.6 | -173.3 | -175.4 | 1.6 | 109.9 | N42 F43 T67 | N42-R65 WeakPolarHBondContact O-CG 3.46Å; F43-R65 HydrophobicContact CD1-CB 4.13Å; F43-R65 HydrophobicContact CD1-CG 4.28Å; F43-R65 HydrophobicContact CE1-CB 4.28Å; F43-R65 HydrophobicContact CE1-CG 4.3Å; R65-T67 PolarHBondContact O-N 2.79Å |
| 66 | S | 67.2 | Low | 73.7 | Confident | 38 Ų | 38 | 109.2 Ų | 109.2 | 27% | 0.266 | 54% | 0.54 | S | S | . | . | trans | -77.5 | 119.3 | 170.5 | -157.7 | 0 | 0 | 0 | 0 | 109.4 | N42 C44 | N42-S66 PolarHBondContact O-N 3.42Å; C44-S66 WeakPolarHBondContact CB-OG 3.25Å; C44-S66 WeakPolarHBondContact SG-CB 3.45Å; C44-S66 PolarHBondContact SG-OG 2.78Å | ||
| 67 | T | 67.4 | Low | 74.1 | Confident | 136 Ų | 136 | 112.1 Ų | 112.1 | 83% | 0.834 | 55% | 0.548 | S | S | * | . | trans | -97.2 | 79 | 162.2 | 55.1 | 0 | 0 | 0 | 0 | 106.9 | R65 | R65-T67 PolarHBondContact O-N 2.79Š| ||
| 68 | K | 58.8 | Low | 74 | Confident | 257 Ų | 257 | 114.4 Ų | 114.4 | 100% | 1.117 | 56% | 0.557 | S | S | * | * | trans | -88.4 | 0 | 159.3 | -92 | -173.3 | 175.9 | 177.5 | 0 | 108.8 |
Retrieved 68 of 68 residues in 36.9 ms
(Link to these results)