| 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 | 50.5 | Low | 55.7 | Low | 243 Ų | 243 | 154.3 Ų | 154.3 | 100% | 1.197 | 84% | 0.837 | S | S | * | * | 0 | 128.6 | 0 | -73.2 | 170.4 | 160.9 | 0 | 0 | 107.7 | |||||
| 2 | K | 51 | Low | 55.9 | Low | 204 Ų | 204 | 153.2 Ų | 153.2 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -80.4 | 123.7 | -175.3 | -64.9 | 172.9 | 177.8 | 176 | 0 | 108.5 | ||||
| 3 | L | 59.9 | Low | 55.6 | Low | 176 Ų | 176 | 145.7 Ų | 145.7 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -95.1 | 114 | 166.2 | -66.5 | 177.4 | 0 | 0 | 0 | 108 | ||||
| 4 | T | 62.3 | Low | 55.6 | Low | 120 Ų | 120 | 142.9 Ų | 142.9 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -77.2 | 126.8 | 179.7 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | G | 53.5 | Low | 56.2 | Low | 75 Ų | 75 | 143.9 Ų | 143.9 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -73.1 | 125 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 6 | N | 54.3 | Low | 56.6 | Low | 147 Ų | 147 | 144.3 Ų | 144.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 104.3 | 170.5 | -65.9 | -23.2 | 0 | 0 | 0 | 108.4 | T8 | N6-T8 PolarHBondContact O-N 3.47Š| ||
| 7 | R | 54.4 | Low | 56.8 | Low | 237 Ų | 237 | 142.5 Ų | 142.5 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -81.9 | 102.9 | 164.7 | -88.9 | -177.8 | -102.2 | -146.8 | -5.9 | 107.9 | T9 | R7-T9 PolarHBondContact O-N 3.31Š| ||
| 8 | T | 59.3 | Low | 57.1 | Low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 100.6 | 160.8 | 43.3 | 0 | 0 | 0 | 0 | 107.6 | N6 D10 | N6-T8 PolarHBondContact O-N 3.47Å; T8-D10 VanDerWaalsContact C-N 3.32Å; T8-D10 PolarHBondContact O-N 3.29Å | ||
| 9 | T | 59.6 | Low | 57 | Low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 90 | 163.8 | 51.8 | 0 | 0 | 0 | 0 | 107.3 | R7 S11 | R7-T9 PolarHBondContact O-N 3.31Å; T9-S11 PolarHBondContact O-N 3.43Å | ||
| 10 | D | 53.3 | Low | 57.1 | Low | 145 Ų | 145 | 150.1 Ų | 150.1 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -71.6 | 92.4 | 164.7 | -70.4 | -30.1 | 0 | 0 | 0 | 107.3 | T8 V12 | T8-D10 VanDerWaalsContact C-N 3.32Å; T8-D10 PolarHBondContact O-N 3.29Å; D10-V12 PolarHBondContact O-N 3.47Å | ||
| 11 | S | 54.4 | Low | 57 | Low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 14.8 | 88.5 | 143.2 | 172 | 0 | 0 | 0 | 0 | 113.1 | T9 G13 | T9-S11 PolarHBondContact O-N 3.43Å; S11-G13 VanDerWaalsContact C-N 3.26Å; S11-G13 PolarHBondContact O-N 3.37Å | ||
| 12 | V | 58.9 | Low | 57.3 | Low | 141 Ų | 141 | 144.1 Ų | 144.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -58.1 | 99.3 | 158.3 | -80.4 | 0 | 0 | 0 | 0 | 106.7 | D10 S14 | D10-V12 PolarHBondContact O-N 3.47Å; V12-S14 PolarHBondContact O-N 3.41Å | ||
| 13 | G | 51.8 | Low | 57.3 | Low | 56 Ų | 56 | 141.9 Ų | 141.9 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | trans | -48.8 | 118.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | S11 I15 | S11-G13 VanDerWaalsContact C-N 3.26Å; S11-G13 PolarHBondContact O-N 3.37Å; G13-I15 VanDerWaalsContact C-N 3.28Å; G13-I15 PolarHBondContact O-N 3.32Å | ||
| 14 | S | 55 | Low | 57 | Low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -61.2 | 94.9 | 177.1 | -163.7 | 0 | 0 | 0 | 0 | 107.2 | V12 Q16 | V12-S14 PolarHBondContact O-N 3.41Å; S14-Q16 VanDerWaalsContact C-N 3.25Å; S14-Q16 PolarHBondContact O-N 3.5Å | ||
| 15 | I | 65.1 | Low | 56.6 | Low | 158 Ų | 158 | 137.1 Ų | 137.1 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -67.6 | 97.4 | 168.4 | -62.6 | 177.7 | 0 | 0 | 0 | 104.7 | G13 | G13-I15 VanDerWaalsContact C-N 3.28Å; G13-I15 PolarHBondContact O-N 3.32Å | ||
| 16 | Q | 63 | Low | 56.9 | Low | 149 Ų | 149 | 139.6 Ų | 139.6 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | trans | -50.5 | 126.2 | 166.9 | -67.3 | -82.2 | 2.5 | 0 | 0 | 107.3 | S14 I18 | S14-Q16 VanDerWaalsContact C-N 3.25Å; S14-Q16 PolarHBondContact O-N 3.5Å; Q16-I18 PolarHBondContact O-N 3.09Å; Q16-I18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | P | 59.9 | Low | 56.7 | Low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -61.1 | 121 | 173 | 24 | -30.3 | 0 | 0 | 0 | 107.5 | R19 | P17-R19 PolarHBondContact O-N 3.17Š| ||
| 18 | I | 62.1 | Low | 57 | Low | 156 Ų | 156 | 134.5 Ų | 134.5 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -54.2 | 111.3 | 169.4 | -63.2 | 172.1 | 0 | 0 | 0 | 105.6 | Q16 K20 | Q16-I18 PolarHBondContact O-N 3.09Å; Q16-I18 VanDerWaalsContact O-N 3.09Å; I18-K20 VanDerWaalsContact C-N 3.27Å; I18-K20 PolarHBondContact O-N 2.89Å | ||
| 19 | R | 54.2 | Low | 56.7 | Low | 229 Ų | 229 | 135.3 Ų | 135.3 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -53.4 | 100 | 165.8 | -94.9 | -176 | 175.7 | 179.1 | -0.7 | 105.8 | P17 Q21 | P17-R19 PolarHBondContact O-N 3.17Å; R19-Q21 VanDerWaalsContact C-N 3.3Å; R19-Q21 PolarHBondContact O-N 3.1Å | ||
| 20 | K | 60.2 | Low | 56.3 | Low | 194 Ų | 194 | 136.2 Ų | 136.2 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -59.3 | 105.6 | 160.3 | -71.9 | -167.1 | 177.9 | -170.1 | 0 | 104.7 | I18 | I18-K20 VanDerWaalsContact C-N 3.27Å; I18-K20 PolarHBondContact O-N 2.89Å | ||
| 21 | Q | 53.8 | Low | 56.5 | Low | 155 Ų | 155 | 134.4 Ų | 134.4 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -48.9 | 128 | 161.9 | -67.9 | -75.3 | -20.5 | 0 | 0 | 105.6 | R19 D23 | R19-Q21 VanDerWaalsContact C-N 3.3Å; R19-Q21 PolarHBondContact O-N 3.1Å; Q21-D23 PolarHBondContact O-N 3Å | ||
| 22 | P | 56.5 | Low | 56.5 | Low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | trans | -59.8 | 115 | 170.2 | 24.7 | -30 | 0 | 0 | 0 | 106.1 | A24 | P22-A24 PolarHBondContact O-N 3.46Š| ||
| 23 | D | 51.7 | Low | 55.8 | Low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -50.4 | 114 | 168.1 | -72.8 | -48.4 | 0 | 0 | 0 | 105.7 | Q21 D25 | Q21-D23 PolarHBondContact O-N 3Å; D23-D25 PolarHBondContact O-N 3.2Å | ||
| 24 | A | 54.7 | Low | 56.2 | Low | 85 Ų | 85 | 139.4 Ų | 139.4 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | -50.9 | 115 | -177 | 0 | 0 | 0 | 0 | 0 | 107.3 | P22 V26 | P22-A24 PolarHBondContact O-N 3.46Å; A24-V26 PolarHBondContact O-N 3Å | ||
| 25 | D | 52.3 | Low | 56.1 | Low | 111 Ų | 111 | 139.9 Ų | 139.9 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | trans | -63.4 | 91.1 | 168.9 | -152.9 | -19 | 0 | 0 | 0 | 104.7 | D23 N27 K28 | D23-D25 PolarHBondContact O-N 3.2Å; D25-N27 PolarHBondContact O-N 3.12Å; D25-K28 WeakPolarHBondContact OD1-CE 3.02Å; D25-K28 IonicContact OD1-NZ 3.95Å; D25-K28 PolarHBondContact OD1-NZ 3.42Å; D25-K28 IonicContact OD2-NZ 2.88Å; D25-K28 PolarHBondContact OD2-NZ 2.85Å | ||
| 26 | V | 59.8 | Low | 55.7 | Low | 126 Ų | 126 | 138.2 Ų | 138.2 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | -66.6 | 89.4 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 105.7 | A24 K28 | A24-V26 PolarHBondContact O-N 3Å; V26-K28 PolarHBondContact O-N 3.07Å | ||
| 27 | N | 50.9 | Low | 55.7 | Low | 135 Ų | 135 | 135.7 Ų | 135.7 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | 30.6 | 78.1 | 155.1 | -158.1 | -22 | 0 | 0 | 0 | 113.2 | D25 N29 | D25-N27 PolarHBondContact O-N 3.12Å; N27-N29 PolarHBondContact O-N 3.42Å | ||
| 28 | K | 61 | Low | 55.8 | Low | 143 Ų | 143 | 136.4 Ų | 136.4 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | trans | -65.6 | 118.3 | 165.3 | -65.7 | 172.2 | -175.9 | 130 | 0 | 107.8 | D25 V26 | D25-K28 WeakPolarHBondContact OD1-CE 3.02Å; D25-K28 IonicContact OD1-NZ 3.95Å; D25-K28 PolarHBondContact OD1-NZ 3.42Å; D25-K28 IonicContact OD2-NZ 2.88Å; D25-K28 PolarHBondContact OD2-NZ 2.85Å; V26-K28 PolarHBondContact O-N 3.07Å | ||
| 29 | N | 52 | Low | 55 | Low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | 83.3 | 79.9 | 161.8 | -55.4 | -21.6 | 0 | 0 | 0 | 116.9 | N27 V31 | N27-N29 PolarHBondContact O-N 3.42Å; N29-V31 VanDerWaalsContact C-N 3.26Å; N29-V31 HydrophobicContact CB-CG2 4.27Å; N29-V31 PolarHBondContact O-N 3.37Å | ||
| 30 | L | 52.8 | Low | 55.2 | Low | 146 Ų | 146 | 128 Ų | 128 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -83.3 | 84.8 | 131.1 | -170.6 | 65 | 0 | 0 | 0 | 107.7 | I32 | L30-I32 HydrophobicContact CD2-CD1 3.99Å; L30-I32 HydrophobicContact CD2-CG1 3.67Å; L30-I32 HydrophobicContact CG-CG1 3.66Å; L30-I32 PolarHBondContact O-N 3.03Å | ||
| 31 | V | 56.3 | Low | 54.4 | Low | 106 Ų | 106 | 124.7 Ų | 124.7 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | trans | -65.9 | 92.8 | 155.5 | 170.4 | 0 | 0 | 0 | 0 | 104.6 | N29 Q33 | N29-V31 VanDerWaalsContact C-N 3.26Å; N29-V31 HydrophobicContact CB-CG2 4.27Å; N29-V31 PolarHBondContact O-N 3.37Å; V31-Q33 VanDerWaalsContact C-N 3.26Å; V31-Q33 PolarHBondContact O-N 3.04Å | ||
| 32 | I | 54.7 | Low | 54.4 | Low | 116 Ų | 116 | 129.4 Ų | 129.4 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | trans | -62.8 | 104 | 161.8 | -59.5 | -172.5 | 0 | 0 | 0 | 104.1 | L30 T34 | L30-I32 HydrophobicContact CD2-CD1 3.99Å; L30-I32 HydrophobicContact CD2-CG1 3.67Å; L30-I32 HydrophobicContact CG-CG1 3.66Å; L30-I32 PolarHBondContact O-N 3.03Å; I32-T34 PolarHBondContact O-N 3.27Å; I32-T34 PolarHBondContact O-OG1 3.12Å | ||
| 33 | Q | 44.4 | Very low | 54.3 | Low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -62.8 | 91.2 | 164.9 | -125.2 | 177.3 | 44 | 0 | 0 | 105.2 | V31 V35 | V31-Q33 VanDerWaalsContact C-N 3.26Å; V31-Q33 PolarHBondContact O-N 3.04Å; Q33-V35 VanDerWaalsContact C-N 3.34Å; Q33-V35 PolarHBondContact O-N 3.06Å | ||
| 34 | T | 59.3 | Low | 53.9 | Low | 120 Ų | 120 | 123.9 Ų | 123.9 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -68.9 | 101.3 | 172.5 | -34.3 | 0 | 0 | 0 | 0 | 105.9 | I32 | I32-T34 PolarHBondContact O-N 3.27Å; I32-T34 PolarHBondContact O-OG1 3.12Å | ||
| 35 | V | 53.8 | Low | 53.9 | Low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | -57.4 | 126.5 | 167.6 | -73.7 | 0 | 0 | 0 | 0 | 107.6 | Q33 S37 | Q33-V35 VanDerWaalsContact C-N 3.34Å; Q33-V35 PolarHBondContact O-N 3.06Å; V35-S37 PolarHBondContact O-N 2.82Å; V35-S37 VanDerWaalsContact O-N 3.07Å | ||
| 36 | P | 56.2 | Low | 53.6 | Low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -67.1 | 113.9 | 177.4 | 25.9 | -30.3 | 0 | 0 | 0 | 107.8 | P38 | P36-P38 WeakPolarHBondContact O-CD 3.48Š| ||
| 37 | S | 62.7 | Low | 53.2 | Low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -63.9 | 119.4 | 171.1 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | V35 C39 | V35-S37 PolarHBondContact O-N 2.82Å; V35-S37 VanDerWaalsContact O-N 3.07Å; S37-C39 VanDerWaalsContact C-N 3.27Å; S37-C39 PolarHBondContact O-N 3.37Å | ||
| 38 | P | 61.4 | Low | 53.5 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -80.2 | 81.8 | -179.3 | 32.7 | -30.5 | 0 | 0 | 0 | 108.4 | P36 | P36-P38 WeakPolarHBondContact O-CD 3.48Š| ||
| 39 | C | 45.9 | Very low | 53.9 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | trans | -113.7 | 90.5 | 165.4 | -61 | 0 | 0 | 0 | 0 | 107.4 | S37 C41 | S37-C39 VanDerWaalsContact C-N 3.27Å; S37-C39 PolarHBondContact O-N 3.37Å; C39-C41 PolarHBondContact O-N 3.42Å | ||
| 40 | A | 58.7 | Low | 55.1 | Low | 104 Ų | 104 | 123.7 Ų | 123.7 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -66.5 | 108.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 41 | C | 43.8 | Very low | 56.6 | Low | 125 Ų | 125 | 120.6 Ų | 120.6 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -121.9 | 119.2 | 156.3 | -68.8 | 0 | 0 | 0 | 0 | 108.5 | C39 | C39-C41 PolarHBondContact O-N 3.42Š| ||
| 42 | R | 53.6 | Low | 58.1 | Low | 254 Ų | 254 | 121.2 Ų | 121.2 | 96% | 0.958 | 74% | 0.735 | S | S | * | * | trans | -57.3 | 142.1 | -179 | -76.1 | 165.3 | 169.9 | -113.6 | -2.1 | 112.1 | ||||
| 43 | G | 55.2 | Low | 59.7 | Low | 83 Ų | 83 | 121.7 Ų | 121.7 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | trans | 77.5 | 116.1 | 136.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 44 | G | 42.9 | Very low | 61.7 | Low | 71 Ų | 71 | 117.5 Ų | 117.5 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | trans | 137.8 | 111.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G46 | G44-G46 PolarHBondContact O-N 2.92Š| ||
| 45 | S | 53.4 | Low | 63.1 | Low | 137 Ų | 137 | 116.6 Ų | 116.6 | 96% | 0.958 | 70% | 0.701 | S | S | * | * | trans | -63.8 | 58.8 | 158.6 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 46 | G | 46.1 | Very low | 65 | Low | 54 Ų | 54 | 114.6 Ų | 114.6 | 56% | 0.557 | 69% | 0.689 | S | S | * | * | trans | -92.7 | 133 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | G44 E48 | G44-G46 PolarHBondContact O-N 2.92Å; G46-E48 PolarHBondContact O-N 3.36Å | ||
| 47 | M | 51.2 | Low | 66.7 | Low | 179 Ų | 179 | 113.6 Ų | 113.6 | 88% | 0.882 | 68% | 0.677 | S | S | * | * | trans | -40.6 | 108.2 | 170.5 | -63.3 | 165.9 | 67.8 | 0 | 0 | 108.1 | T49 | M47-T49 PolarHBondContact O-N 3.22Š| ||
| 48 | E | 58.6 | Low | 68.1 | Low | 171 Ų | 171 | 111.8 Ų | 111.8 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | trans | -67.2 | 90.6 | -173.6 | -156.2 | -166.4 | -143 | 0 | 0 | 106 | G46 K50 | G46-E48 PolarHBondContact O-N 3.36Å; E48-K50 PolarHBondContact O-N 3.02Å | ||
| 49 | T | 67.9 | Low | 69.6 | Low | 120 Ų | 120 | 107.6 Ų | 107.6 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | trans | -72.2 | 90.5 | 179.8 | 47 | 0 | 0 | 0 | 0 | 105.5 | M47 | M47-T49 PolarHBondContact O-N 3.22Š| ||
| 50 | K | 77.5 | Confident | 71.9 | Confident | 69 Ų | 69 | 111.1 Ų | 111.1 | 30% | 0.3 | 63% | 0.63 | S | S | . | * | trans | -46.7 | 138.1 | 174.6 | -66.9 | -179.3 | -177.7 | -172.7 | 0 | 108.6 | E48 Q54 R55 E58 | E48-K50 PolarHBondContact O-N 3.02Å; K50-Q54 HydrophobicContact CB-CB 4.4Å; K50-Q54 HydrophobicContact CB-CG 4.37Å; K50-Q54 HydrophobicContact CD-CG 4.3Å; K50-R55 HydrophobicContact CB-CG 3.63Å; K50-R55 WeakPolarHBondContact O-CD 3.4Å; K50-R55 WeakPolarHBondContact O-CG 3.35Å; K50-R55 PolarHBondContact O-NH1 2.68Å; K50-E58 WeakPolarHBondContact CD-OE1 3.32Å; K50-E58 VanDerWaalsContact CD-OE2 3.26Å; K50-E58 WeakPolarHBondContact CD-OE2 3.4Å; K50-E58 IonicContact NZ-OE1 3.9Å; K50-E58 PolarHBondContact NZ-OE1 2.87Å; K50-E58 IonicContact NZ-OE2 3.39Å; K50-E58 PolarHBondContact NZ-OE2 3.28Å | ||
| 51 | P | 85.9 | Confident | 73.6 | Confident | 82 Ų | 82 | 113 Ų | 113 | 53% | 0.532 | 62% | 0.619 | S | S | . | * | trans | -55.9 | 151.3 | 179.2 | 23.4 | -32.6 | 0 | 0 | 0 | 110.2 | L53 Q54 R55 | P51-L53 VanDerWaalsContact C-N 3.26Å; P51-L53 PolarHBondContact O-N 3.44Å; P51-L53 VanDerWaalsContact O-N 3.16Å; P51-Q54 HydrophobicContact CG-CB 3.82Å; P51-Q54 WeakPolarHBondContact O-CB 3.45Å; P51-Q54 PolarHBondContact O-N 3.32Å; P51-R55 PolarHBondContact O-N 2.79Å | ||
| 52 | E | 87.1 | Confident | 76 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -46.7 | -50.5 | -174.3 | -168.4 | 66.1 | -133.5 | 0 | 0 | 112.3 | Q54 R55 V56 | E52-Q54 VanDerWaalsContact C-N 3.32Å; E52-Q54 PolarHBondContact O-N 3.09Å; E52-R55 PolarHBondContact O-N 2.9Å; E52-R55 VanDerWaalsContact O-N 3.16Å; E52-R55 IonicContact OE1-CZ 2.67Å; E52-R55 IonicContact OE1-NH2 3.59Å; E52-R55 PolarHBondContact OE1-NH2 3.38Å; E52-R55 IonicContact OE2-CZ 3.86Å; E52-R55 IonicContact OE2-NH1 2.72Å; E52-R55 PolarHBondContact OE2-NH1 3.16Å; E52-R55 IonicContact OE2-NH2 3.71Å; E52-R55 PolarHBondContact OE2-NH2 3.21Å; E52-V56 HydrophobicContact CG-CG2 4.49Å; E52-V56 WeakPolarHBondContact O-CG2 3.27Å; E52-V56 PolarHBondContact O-N 3.02Å |
| 53 | L | 87.9 | Confident | 78 | Confident | 126 Ų | 126 | 104.7 Ų | 104.7 | 66% | 0.66 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.8 | -42.4 | -179.4 | -179.1 | 60 | 0 | 0 | 0 | 112.2 | P51 V56 L57 | P51-L53 VanDerWaalsContact C-N 3.26Å; P51-L53 PolarHBondContact O-N 3.44Å; P51-L53 VanDerWaalsContact O-N 3.16Å; L53-V56 PolarHBondContact O-N 3.41Å; L53-L57 HydrophobicContact CD1-CD1 4.25Å; L53-L57 HydrophobicContact CD1-CG 4.27Å; L53-L57 HydrophobicContact CG-CD1 4.12Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 VanDerWaalsContact O-CG 3.22Å; L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 3.23Å |
| 54 | Q | 87.3 | Confident | 79.8 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 39% | 0.393 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68 | -40.4 | 178.6 | -175.4 | 175.4 | -7.7 | 0 | 0 | 111.3 | K50 P51 E52 V56 L57 E58 | K50-Q54 HydrophobicContact CB-CB 4.4Å; K50-Q54 HydrophobicContact CB-CG 4.37Å; K50-Q54 HydrophobicContact CD-CG 4.3Å; P51-Q54 HydrophobicContact CG-CB 3.82Å; P51-Q54 WeakPolarHBondContact O-CB 3.45Å; P51-Q54 PolarHBondContact O-N 3.32Å; E52-Q54 VanDerWaalsContact C-N 3.32Å; E52-Q54 PolarHBondContact O-N 3.09Å; Q54-V56 PolarHBondContact O-N 2.9Å; Q54-L57 PolarHBondContact O-N 3.09Å; Q54-E58 HydrophobicContact CG-CG 4.43Å; Q54-E58 PolarHBondContact NE2-OE1 3.26Å; Q54-E58 WeakPolarHBondContact O-CB 3.47Å; Q54-E58 VanDerWaalsContact O-CG 3.25Å; Q54-E58 WeakPolarHBondContact O-CG 3.4Å; Q54-E58 PolarHBondContact O-N 3.48Å |
| 55 | R | 89.1 | Confident | 82.3 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 38% | 0.381 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.7 | -63.4 | -164 | -37.9 | -88.9 | 1.9 | 112 | K50 P51 E52 E58 S59 | K50-R55 HydrophobicContact CB-CG 3.63Å; K50-R55 WeakPolarHBondContact O-CD 3.4Å; K50-R55 WeakPolarHBondContact O-CG 3.35Å; K50-R55 PolarHBondContact O-NH1 2.68Å; P51-R55 PolarHBondContact O-N 2.79Å; E52-R55 PolarHBondContact O-N 2.9Å; E52-R55 VanDerWaalsContact O-N 3.16Å; E52-R55 IonicContact OE1-CZ 2.67Å; E52-R55 IonicContact OE1-NH2 3.59Å; E52-R55 PolarHBondContact OE1-NH2 3.38Å; E52-R55 IonicContact OE2-CZ 3.86Å; E52-R55 IonicContact OE2-NH1 2.72Å; E52-R55 PolarHBondContact OE2-NH1 3.16Å; E52-R55 IonicContact OE2-NH2 3.71Å; E52-R55 PolarHBondContact OE2-NH2 3.21Å; R55-E58 PolarHBondContact O-N 2.65Å; R55-S59 VanDerWaalsContact O-CB 3.3Å; R55-S59 WeakPolarHBondContact O-CB 3.36Å; R55-S59 PolarHBondContact O-N 3.41Å |
| 56 | V | 92.6 | Very high | 84.1 | Confident | 76 Ų | 76 | 104.2 Ų | 104.2 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | E52 L53 Q54 S59 R60 | E52-V56 HydrophobicContact CG-CG2 4.49Å; E52-V56 WeakPolarHBondContact O-CG2 3.27Å; E52-V56 PolarHBondContact O-N 3.02Å; L53-V56 PolarHBondContact O-N 3.41Å; Q54-V56 PolarHBondContact O-N 2.9Å; V56-S59 PolarHBondContact O-N 3.32Å; V56-R60 WeakPolarHBondContact O-CB 3.42Å; V56-R60 PolarHBondContact O-N 2.92Å |
| 57 | L | 92.6 | Very high | 86.3 | Confident | 100 Ų | 100 | 108.8 Ų | 108.8 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 177.1 | -71.9 | 174.3 | 0 | 0 | 0 | 112 | L53 Q54 R60 K61 | L53-L57 HydrophobicContact CD1-CD1 4.25Å; L53-L57 HydrophobicContact CD1-CG 4.27Å; L53-L57 HydrophobicContact CG-CD1 4.12Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 VanDerWaalsContact O-CG 3.22Å; L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 3.23Å; Q54-L57 PolarHBondContact O-N 3.09Å; L57-R60 PolarHBondContact O-N 2.91Å; L57-K61 WeakPolarHBondContact O-CB 3.42Å; L57-K61 PolarHBondContact O-N 3.25Å |
| 58 | E | 91.5 | Very high | 88.1 | Confident | 60 Ų | 60 | 105.5 Ų | 105.5 | 28% | 0.28 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176 | -73.4 | 178.8 | -174.6 | 0 | 0 | 112.4 | K50 Q54 R55 K61 R62 | K50-E58 WeakPolarHBondContact CD-OE1 3.32Å; K50-E58 VanDerWaalsContact CD-OE2 3.26Å; K50-E58 WeakPolarHBondContact CD-OE2 3.4Å; K50-E58 IonicContact NZ-OE1 3.9Å; K50-E58 PolarHBondContact NZ-OE1 2.87Å; K50-E58 IonicContact NZ-OE2 3.39Å; K50-E58 PolarHBondContact NZ-OE2 3.28Å; Q54-E58 HydrophobicContact CG-CG 4.43Å; Q54-E58 PolarHBondContact NE2-OE1 3.26Å; Q54-E58 WeakPolarHBondContact O-CB 3.47Å; Q54-E58 VanDerWaalsContact O-CG 3.25Å; Q54-E58 WeakPolarHBondContact O-CG 3.4Å; Q54-E58 PolarHBondContact O-N 3.48Å; R55-E58 PolarHBondContact O-N 2.65Å; E58-K61 PolarHBondContact O-N 2.91Å; E58-R62 PolarHBondContact O-N 3.44Å |
| 59 | S | 91.9 | Very high | 89.4 | Confident | 40 Ų | 40 | 105.3 Ų | 105.3 | 28% | 0.28 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 174.5 | -162.7 | 0 | 0 | 0 | 0 | 110.7 | R55 V56 K61 R62 D63 | R55-S59 VanDerWaalsContact O-CB 3.3Å; R55-S59 WeakPolarHBondContact O-CB 3.36Å; R55-S59 PolarHBondContact O-N 3.41Å; V56-S59 PolarHBondContact O-N 3.32Å; S59-K61 VanDerWaalsContact C-N 3.27Å; S59-K61 PolarHBondContact O-N 3.37Å; S59-R62 PolarHBondContact O-N 2.88Å; S59-R62 VanDerWaalsContact O-N 3.1Å; S59-D63 WeakPolarHBondContact O-CB 3.42Å; S59-D63 PolarHBondContact O-N 3.33Å |
| 60 | R | 94.8 | Very high | 90.2 | Very high | 179 Ų | 179 | 106 Ų | 106 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.4 | -41.6 | 177.6 | -171.6 | -179.2 | -174.6 | -152.6 | 2.2 | 111.8 | V56 L57 D63 Q64 | V56-R60 WeakPolarHBondContact O-CB 3.42Å; V56-R60 PolarHBondContact O-N 2.92Å; L57-R60 PolarHBondContact O-N 2.91Å; R60-D63 PolarHBondContact O-N 2.78Å; R60-Q64 WeakPolarHBondContact O-CB 3.47Å; R60-Q64 PolarHBondContact O-N 3.49Å |
| 61 | K | 94.8 | Very high | 90.4 | Very high | 144 Ų | 144 | 109 Ų | 109 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -48.7 | 175.4 | -171.5 | 177.3 | -178.7 | 179.1 | 0 | 111 | L57 E58 S59 D63 Q64 L65 | L57-K61 WeakPolarHBondContact O-CB 3.42Å; L57-K61 PolarHBondContact O-N 3.25Å; E58-K61 PolarHBondContact O-N 2.91Å; S59-K61 VanDerWaalsContact C-N 3.27Å; S59-K61 PolarHBondContact O-N 3.37Å; K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 PolarHBondContact O-N 2.96Å; K61-Q64 PolarHBondContact O-N 3.35Å; K61-L65 HydrophobicContact CG-CD1 3.86Å; K61-L65 WeakPolarHBondContact O-CD1 3.22Å; K61-L65 PolarHBondContact O-N 2.97Å |
| 62 | R | 95.3 | Very high | 90.1 | Very high | 137 Ų | 137 | 108.8 Ų | 108.8 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 175.5 | -79.8 | -171.4 | -78.7 | 103.4 | -3 | 111.7 | E58 S59 Q64 L65 I66 | E58-R62 PolarHBondContact O-N 3.44Å; S59-R62 PolarHBondContact O-N 2.88Å; S59-R62 VanDerWaalsContact O-N 3.1Å; R62-Q64 VanDerWaalsContact C-N 3.28Å; R62-Q64 PolarHBondContact O-N 2.96Å; R62-L65 PolarHBondContact O-N 3.28Å; R62-I66 WeakPolarHBondContact O-CB 3.47Å; R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.41Å; R62-I66 PolarHBondContact O-N 3.21Å |
| 63 | D | 94.4 | Very high | 89.7 | Confident | 67 Ų | 67 | 107.1 Ų | 107.1 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -32.3 | -179.3 | -63.8 | -25.6 | 0 | 0 | 0 | 112.6 | S59 R60 K61 R67 | S59-D63 WeakPolarHBondContact O-CB 3.42Å; S59-D63 PolarHBondContact O-N 3.33Å; R60-D63 PolarHBondContact O-N 2.78Å; K61-D63 VanDerWaalsContact C-N 3.34Å; K61-D63 PolarHBondContact O-N 2.96Å; D63-R67 WeakPolarHBondContact O-CB 2.96Å; D63-R67 WeakPolarHBondContact O-CG 3.38Å; D63-R67 PolarHBondContact O-N 3.12Å; D63-R67 PolarHBondContact O-NE 2.96Å; D63-R67 VanDerWaalsContact O-NE 3.14Å |
| 64 | Q | 93.6 | Very high | 89.1 | Confident | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.4 | -47 | 173.2 | -170.4 | 176.9 | 19.6 | 0 | 0 | 111.3 | R60 K61 R62 I66 R67 Q68 | R60-Q64 WeakPolarHBondContact O-CB 3.47Å; R60-Q64 PolarHBondContact O-N 3.49Å; K61-Q64 PolarHBondContact O-N 3.35Å; R62-Q64 VanDerWaalsContact C-N 3.28Å; R62-Q64 PolarHBondContact O-N 2.96Å; Q64-I66 VanDerWaalsContact C-N 3.34Å; Q64-I66 PolarHBondContact O-N 3.17Å; Q64-R67 PolarHBondContact O-N 2.91Å; Q64-Q68 WeakPolarHBondContact O-CG 3.38Å; Q64-Q68 PolarHBondContact O-N 3.11Å |
| 65 | L | 94.3 | Very high | 88.4 | Confident | 90 Ų | 90 | 105.6 Ų | 105.6 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 176 | -86.7 | 93 | 0 | 0 | 0 | 111.6 | K61 R62 R67 Q68 R69 | K61-L65 HydrophobicContact CG-CD1 3.86Å; K61-L65 WeakPolarHBondContact O-CD1 3.22Å; K61-L65 PolarHBondContact O-N 2.97Å; R62-L65 PolarHBondContact O-N 3.28Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.38Å; L65-Q68 PolarHBondContact O-N 3.16Å; L65-R69 WeakPolarHBondContact O-CB 3.38Å; L65-R69 WeakPolarHBondContact O-CG 3.5Å; L65-R69 PolarHBondContact O-N 3.28Å |
| 66 | I | 92.1 | Very high | 87.2 | Confident | 82 Ų | 82 | 109.8 Ų | 109.8 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.6 | -69.7 | 165.5 | 0 | 0 | 0 | 110.4 | R62 Q64 R69 K70 | R62-I66 WeakPolarHBondContact O-CB 3.47Å; R62-I66 VanDerWaalsContact O-CG1 3.26Å; R62-I66 WeakPolarHBondContact O-CG1 3.41Å; R62-I66 PolarHBondContact O-N 3.21Å; Q64-I66 VanDerWaalsContact C-N 3.34Å; Q64-I66 PolarHBondContact O-N 3.17Å; I66-R69 PolarHBondContact O-N 3Å; I66-K70 HydrophobicContact CG2-CD 4.05Å; I66-K70 HydrophobicContact CG2-CG 4.41Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 VanDerWaalsContact O-CG 3.3Å; I66-K70 WeakPolarHBondContact O-CG 3.46Å; I66-K70 PolarHBondContact O-N 3.48Å |
| 67 | R | 91.2 | Very high | 85.9 | Confident | 151 Ų | 151 | 114.8 Ų | 114.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 177.1 | -79.7 | -178.5 | -77.5 | -160.4 | -2.9 | 112.4 | D63 Q64 L65 K70 Q71 | D63-R67 WeakPolarHBondContact O-CB 2.96Å; D63-R67 WeakPolarHBondContact O-CG 3.38Å; D63-R67 PolarHBondContact O-N 3.12Å; D63-R67 PolarHBondContact O-NE 2.96Å; D63-R67 VanDerWaalsContact O-NE 3.14Å; Q64-R67 PolarHBondContact O-N 2.91Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.38Å; R67-K70 PolarHBondContact O-N 2.88Å; R67-Q71 WeakPolarHBondContact O-CG 3.5Å; R67-Q71 PolarHBondContact O-N 2.88Å |
| 68 | Q | 89.1 | Confident | 85 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 176.7 | -74.3 | 178.4 | -3.9 | 0 | 0 | 111.8 | Q64 L65 K70 Q71 E72 | Q64-Q68 WeakPolarHBondContact O-CG 3.38Å; Q64-Q68 PolarHBondContact O-N 3.11Å; L65-Q68 PolarHBondContact O-N 3.16Å; Q68-K70 PolarHBondContact O-N 3.45Å; Q68-Q71 PolarHBondContact O-N 3.31Å; Q68-E72 PolarHBondContact O-N 3.09Å |
| 69 | R | 86.3 | Confident | 83.9 | Confident | 166 Ų | 166 | 117.9 Ų | 117.9 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 176.8 | -73.3 | -64.2 | -169 | -174.7 | 5.2 | 112.2 | L65 I66 E72 E73 | L65-R69 WeakPolarHBondContact O-CB 3.38Å; L65-R69 WeakPolarHBondContact O-CG 3.5Å; L65-R69 PolarHBondContact O-N 3.28Å; I66-R69 PolarHBondContact O-N 3Å; R69-E72 IonicContact NH1-OE2 2.67Å; R69-E72 PolarHBondContact NH1-OE2 2.93Å; R69-E72 PolarHBondContact O-N 3.35Å; R69-E73 WeakPolarHBondContact O-CB 3.31Å; R69-E73 PolarHBondContact O-N 3.44Å |
| 70 | K | 84.5 | Confident | 83.5 | Confident | 135 Ų | 135 | 118.8 Ų | 118.8 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 176 | -77.8 | -179.1 | 176.7 | -174.3 | 0 | 112.3 | I66 R67 Q68 E73 E74 | I66-K70 HydrophobicContact CG2-CD 4.05Å; I66-K70 HydrophobicContact CG2-CG 4.41Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 VanDerWaalsContact O-CG 3.3Å; I66-K70 WeakPolarHBondContact O-CG 3.46Å; I66-K70 PolarHBondContact O-N 3.48Å; R67-K70 PolarHBondContact O-N 2.88Å; Q68-K70 PolarHBondContact O-N 3.45Å; K70-E73 PolarHBondContact O-N 3.34Å; K70-E74 VanDerWaalsContact O-CB 3.25Å; K70-E74 WeakPolarHBondContact O-CB 3.46Å; K70-E74 PolarHBondContact O-N 3.38Å |
| 71 | Q | 82.6 | Confident | 83.1 | Confident | 133 Ų | 133 | 115.8 Ų | 115.8 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 177.4 | -73.7 | 173.5 | -15.1 | 0 | 0 | 111.9 | R67 Q68 E73 E74 A75 | R67-Q71 WeakPolarHBondContact O-CG 3.5Å; R67-Q71 PolarHBondContact O-N 2.88Å; Q68-Q71 PolarHBondContact O-N 3.31Å; Q71-E73 VanDerWaalsContact C-N 3.35Å; Q71-E74 PolarHBondContact O-N 2.9Å; Q71-A75 WeakPolarHBondContact O-CB 3.27Å; Q71-A75 PolarHBondContact O-N 3.46Å |
| 72 | E | 79.9 | Confident | 82.8 | Confident | 77 Ų | 77 | 114.5 Ų | 114.5 | 36% | 0.36 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 175 | -170.4 | -168 | 169.7 | 0 | 0 | 111 | Q68 R69 A75 R76 | Q68-E72 PolarHBondContact O-N 3.09Å; R69-E72 IonicContact NH1-OE2 2.67Å; R69-E72 PolarHBondContact NH1-OE2 2.93Å; R69-E72 PolarHBondContact O-N 3.35Å; E72-A75 PolarHBondContact O-N 3.19Å; E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.3Å; E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 PolarHBondContact O-N 3.19Å; E72-R76 IonicContact OE1-CZ 2.59Å; E72-R76 IonicContact OE1-NE 2.69Å; E72-R76 PolarHBondContact OE1-NE 2.69Å; E72-R76 IonicContact OE1-NH2 3.26Å; E72-R76 PolarHBondContact OE1-NH2 2.98Å |
| 73 | E | 78.3 | Confident | 82.5 | Confident | 84 Ų | 84 | 113.2 Ų | 113.2 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 178.6 | -179.5 | 170.3 | -143.7 | 0 | 0 | 112.1 | R69 K70 Q71 A75 R76 R77 | R69-E73 WeakPolarHBondContact O-CB 3.31Å; R69-E73 PolarHBondContact O-N 3.44Å; K70-E73 PolarHBondContact O-N 3.34Å; Q71-E73 VanDerWaalsContact C-N 3.35Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.89Å; E73-R76 CarbonylContact O-C 3.58Å; E73-R76 PolarHBondContact O-N 3.11Å; E73-R77 VanDerWaalsContact CD-NE 3.28Å; E73-R77 HydrophobicContact CG-CG 3.92Å; E73-R77 VanDerWaalsContact CG-NE 3.25Å; E73-R77 WeakPolarHBondContact O-CB 3.41Å; E73-R77 WeakPolarHBondContact O-CG 3.45Å; E73-R77 PolarHBondContact O-N 2.93Å; E73-R77 IonicContact OE1-CZ 3.03Å; E73-R77 IonicContact OE1-NE 3.47Å; E73-R77 PolarHBondContact OE1-NE 2.9Å; E73-R77 IonicContact OE1-NH2 2.71Å; E73-R77 PolarHBondContact OE1-NH2 3.13Å |
| 74 | E | 75.3 | Confident | 82.3 | Confident | 102 Ų | 102 | 112.4 Ų | 112.4 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 175.4 | -163.9 | -172.8 | 153.6 | 0 | 0 | 111.2 | K70 Q71 R76 K78 | K70-E74 VanDerWaalsContact O-CB 3.25Å; K70-E74 WeakPolarHBondContact O-CB 3.46Å; K70-E74 PolarHBondContact O-N 3.38Å; Q71-E74 PolarHBondContact O-N 2.9Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-K78 HydrophobicContact CG-CD 4.44Å; E74-K78 WeakPolarHBondContact O-CB 3.41Å; E74-K78 VanDerWaalsContact O-CG 3.24Å; E74-K78 WeakPolarHBondContact O-CG 3.29Å; E74-K78 PolarHBondContact O-N 3.48Å; E74-K78 WeakPolarHBondContact OE1-CE 3.46Å; E74-K78 IonicContact OE1-NZ 2.65Å; E74-K78 PolarHBondContact OE1-NZ 3.02Å |
| 75 | A | 71.3 | Confident | 82.4 | Confident | 75 Ų | 75 | 111 Ų | 111 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66 | -35.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q71 E72 E73 | Q71-A75 WeakPolarHBondContact O-CB 3.27Å; Q71-A75 PolarHBondContact O-N 3.46Å; E72-A75 PolarHBondContact O-N 3.19Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.89Å |
| 76 | R | 65.3 | Low | 82.5 | Confident | 190 Ų | 190 | 111.4 Ų | 111.4 | 72% | 0.717 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.9 | -34.1 | 176.4 | -73.4 | 174.4 | 179.6 | -105.1 | 6 | 113.4 | E72 E73 E74 | E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.3Å; E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 PolarHBondContact O-N 3.19Å; E72-R76 IonicContact OE1-CZ 2.59Å; E72-R76 IonicContact OE1-NE 2.69Å; E72-R76 PolarHBondContact OE1-NE 2.69Å; E72-R76 IonicContact OE1-NH2 3.26Å; E72-R76 PolarHBondContact OE1-NH2 2.98Å; E73-R76 CarbonylContact O-C 3.58Å; E73-R76 PolarHBondContact O-N 3.11Å; E74-R76 VanDerWaalsContact C-N 3.34Å |
| 77 | R | 65.7 | Low | 82.6 | Confident | 180 Ų | 180 | 112.1 Ų | 112.1 | 68% | 0.679 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -83.1 | -23.8 | -176.8 | -74.9 | -176.5 | 179.7 | -153 | 1.9 | 112.9 | E73 I79 | E73-R77 VanDerWaalsContact CD-NE 3.28Å; E73-R77 HydrophobicContact CG-CG 3.92Å; E73-R77 VanDerWaalsContact CG-NE 3.25Å; E73-R77 WeakPolarHBondContact O-CB 3.41Å; E73-R77 WeakPolarHBondContact O-CG 3.45Å; E73-R77 PolarHBondContact O-N 2.93Å; E73-R77 IonicContact OE1-CZ 3.03Å; E73-R77 IonicContact OE1-NE 3.47Å; E73-R77 PolarHBondContact OE1-NE 2.9Å; E73-R77 IonicContact OE1-NH2 2.71Å; E73-R77 PolarHBondContact OE1-NH2 3.13Å; R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.29Å |
| 78 | K | 72.6 | Confident | 82.9 | Confident | 131 Ų | 131 | 111.5 Ų | 111.5 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -67.8 | 98.4 | 169.1 | -77.2 | 176.5 | -177.4 | 168.8 | 0 | 107.7 | E74 S80 | E74-K78 HydrophobicContact CG-CD 4.44Å; E74-K78 WeakPolarHBondContact O-CB 3.41Å; E74-K78 VanDerWaalsContact O-CG 3.24Å; E74-K78 WeakPolarHBondContact O-CG 3.29Å; E74-K78 PolarHBondContact O-N 3.48Å; E74-K78 WeakPolarHBondContact OE1-CE 3.46Å; E74-K78 IonicContact OE1-NZ 2.65Å; E74-K78 PolarHBondContact OE1-NZ 3.02Å; K78-S80 PolarHBondContact O-N 2.87Å; K78-S80 VanDerWaalsContact O-N 3.16Å |
| 79 | I | 67.9 | Low | 83.3 | Confident | 94 Ų | 94 | 113.4 Ų | 113.4 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | trans | -42.6 | 124.3 | 161.1 | -64.8 | 174 | 0 | 0 | 0 | 106.3 | R77 E83 A84 | R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.29Å; I79-E83 HydrophobicContact CG2-CB 3.6Å; I79-E83 HydrophobicContact CG2-CG 3.66Å; I79-A84 HydrophobicContact CG2-CB 3.93Å; I79-A84 VanDerWaalsContact CG2-N 3.35Å | ||
| 80 | S | 83.9 | Confident | 83.8 | Confident | 59 Ų | 59 | 111.4 Ų | 111.4 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | trans | -54.9 | 141.8 | 180 | 174.4 | 0 | 0 | 0 | 0 | 108.8 | K78 L82 E83 A84 | K78-S80 PolarHBondContact O-N 2.87Å; K78-S80 VanDerWaalsContact O-N 3.16Å; S80-L82 CarbonylContact O-C 3.58Å; S80-L82 PolarHBondContact O-N 2.93Å; S80-E83 PolarHBondContact N-OE2 3.05Å; S80-E83 WeakPolarHBondContact O-CA 3.16Å; S80-E83 WeakPolarHBondContact O-CB 3.3Å; S80-E83 PolarHBondContact O-N 3.03Å; S80-A84 PolarHBondContact O-N 3.44Å | ||
| 81 | P | 86.4 | Confident | 84.4 | Confident | 117 Ų | 117 | 110.5 Ų | 110.5 | 76% | 0.76 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -48.6 | -33.4 | 176.5 | -29.3 | 35 | 0 | 0 | 0 | 113.4 | E85 | P81-E85 PolarHBondContact O-N 3.47Å |
| 82 | L | 89.3 | Confident | 85.2 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69 | -43 | 173.6 | 177.9 | 61.2 | 0 | 0 | 0 | 113.1 | S80 A84 E85 L86 | S80-L82 CarbonylContact O-C 3.58Å; S80-L82 PolarHBondContact O-N 2.93Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 2.88Å; L82-E85 PolarHBondContact O-N 2.72Å; L82-L86 HydrophobicContact CD1-CG 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.35Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 2.8Å |
| 83 | E | 87.6 | Confident | 86 | Confident | 110 Ų | 110 | 112.1 Ų | 112.1 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | -179.2 | -174.7 | -175.5 | -176.2 | 0 | 0 | 111.3 | I79 S80 L86 L87 | I79-E83 HydrophobicContact CG2-CB 3.6Å; I79-E83 HydrophobicContact CG2-CG 3.66Å; S80-E83 PolarHBondContact N-OE2 3.05Å; S80-E83 WeakPolarHBondContact O-CA 3.16Å; S80-E83 WeakPolarHBondContact O-CB 3.3Å; S80-E83 PolarHBondContact O-N 3.03Å; E83-L86 PolarHBondContact O-N 2.98Å; E83-L87 PolarHBondContact O-N 2.94Å |
| 84 | A | 91.4 | Very high | 87 | Confident | 49 Ų | 49 | 113.5 Ų | 113.5 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I79 S80 L82 L87 K88 | I79-A84 HydrophobicContact CG2-CB 3.93Å; I79-A84 VanDerWaalsContact CG2-N 3.35Å; S80-A84 PolarHBondContact O-N 3.44Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 2.88Å; A84-L87 PolarHBondContact O-N 3.34Å; A84-K88 PolarHBondContact O-N 3.16Å |
| 85 | E | 95.3 | Very high | 88 | Confident | 79 Ų | 79 | 112 Ų | 112 | 37% | 0.369 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 176.5 | -175.7 | 60.3 | -153.7 | 0 | 0 | 111.8 | P81 L82 K88 R89 | P81-E85 PolarHBondContact O-N 3.47Å; L82-E85 PolarHBondContact O-N 2.72Å; E85-K88 PolarHBondContact O-N 2.96Å; E85-R89 WeakPolarHBondContact O-CG 3.48Å; E85-R89 PolarHBondContact O-N 2.96Å; E85-R89 IonicContact OE1-NE 3.37Å |
| 86 | L | 95.7 | Very high | 89.3 | Confident | 98 Ų | 98 | 112.5 Ų | 112.5 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 173.8 | -73.1 | 176.2 | 0 | 0 | 0 | 111.7 | L82 E83 K88 R89 H90 | L82-L86 HydrophobicContact CD1-CG 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.35Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 2.8Å; E83-L86 PolarHBondContact O-N 2.98Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 2.93Å; L86-R89 PolarHBondContact O-N 2.67Å; L86-H90 PolarHBondContact O-N 3.42Å |
| 87 | L | 95.4 | Very high | 90.8 | Very high | 97 Ų | 97 | 108.9 Ų | 108.9 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 176.3 | -179.3 | 61.6 | 0 | 0 | 0 | 111.1 | E83 A84 R89 H90 M91 | E83-L87 PolarHBondContact O-N 2.94Å; A84-L87 PolarHBondContact O-N 3.34Å; L87-R89 VanDerWaalsContact C-N 3.32Å; L87-R89 PolarHBondContact O-N 2.92Å; L87-H90 PolarHBondContact O-N 2.93Å; L87-H90 VanDerWaalsContact O-N 3.17Å; L87-M91 HydrophobicContact CD1-CG 4.46Å; L87-M91 WeakPolarHBondContact O-CG 3.33Å; L87-M91 PolarHBondContact O-N 3.19Å |
| 88 | K | 96.9 | Very high | 92.3 | Very high | 138 Ų | 138 | 106.2 Ų | 106.2 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.6 | -41.3 | 177.1 | -172.9 | -179.5 | -179.8 | -177 | 0 | 112.3 | A84 E85 L86 K92 | A84-K88 PolarHBondContact O-N 3.16Å; E85-K88 PolarHBondContact O-N 2.96Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 2.93Å; K88-K92 WeakPolarHBondContact O-CB 3.36Å; K88-K92 PolarHBondContact O-N 3.02Å; K88-K92 VanDerWaalsContact O-N 3.12Å |
| 89 | R | 97.8 | Very high | 93.5 | Very high | 151 Ų | 151 | 103.5 Ų | 103.5 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 175.4 | -72 | 178.7 | -174.1 | -171.3 | 0.3 | 111.7 | E85 L86 L87 K92 L93 | E85-R89 WeakPolarHBondContact O-CG 3.48Å; E85-R89 PolarHBondContact O-N 2.96Å; E85-R89 IonicContact OE1-NE 3.37Å; L86-R89 PolarHBondContact O-N 2.67Å; L87-R89 VanDerWaalsContact C-N 3.32Å; L87-R89 PolarHBondContact O-N 2.92Å; R89-K92 PolarHBondContact O-N 2.75Å; R89-L93 WeakPolarHBondContact O-CG 3.24Å; R89-L93 PolarHBondContact O-N 2.95Å |
| 90 | H | 97.6 | Very high | 94.8 | Very high | 123 Ų | 123 | 104.6 Ų | 104.6 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -48.9 | 178.6 | -166.9 | 65.6 | 0 | 0 | 0 | 111.5 | L86 L87 K92 L93 E94 | L86-H90 PolarHBondContact O-N 3.42Å; L87-H90 PolarHBondContact O-N 2.93Å; L87-H90 VanDerWaalsContact O-N 3.17Å; H90-K92 VanDerWaalsContact C-N 3.27Å; H90-K92 PolarHBondContact O-N 3.38Å; H90-L93 PolarHBondContact O-N 3.47Å; H90-L93 VanDerWaalsContact O-N 3.11Å; H90-E94 PolarHBondContact O-N 2.74Å |
| 91 | M | 97.3 | Very high | 95.4 | Very high | 117 Ų | 117 | 108 Ų | 108 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.6 | -37.2 | 176.4 | -65.3 | -158.6 | 81.4 | 0 | 0 | 112.7 | L87 E95 | L87-M91 HydrophobicContact CD1-CG 4.46Å; L87-M91 WeakPolarHBondContact O-CG 3.33Å; L87-M91 PolarHBondContact O-N 3.19Å; M91-E95 PolarHBondContact O-N 2.87Å; M91-E95 VanDerWaalsContact O-N 3.11Å |
| 92 | K | 98.1 | Very high | 95.8 | Very high | 145 Ų | 145 | 106.7 Ų | 106.7 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -38.3 | 176.9 | -174.4 | 174.9 | -179.9 | 179.4 | 0 | 112.2 | K88 R89 H90 L96 | K88-K92 WeakPolarHBondContact O-CB 3.36Å; K88-K92 PolarHBondContact O-N 3.02Å; K88-K92 VanDerWaalsContact O-N 3.12Å; R89-K92 PolarHBondContact O-N 2.75Å; H90-K92 VanDerWaalsContact C-N 3.27Å; H90-K92 PolarHBondContact O-N 3.38Å; K92-L96 HydrophobicContact CG-CD1 4.44Å; K92-L96 WeakPolarHBondContact O-CG 3.2Å; K92-L96 PolarHBondContact O-N 2.97Å; K92-L96 VanDerWaalsContact O-N 3.16Å |
| 93 | L | 98.1 | Very high | 96 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 176.7 | -72.9 | 171.1 | 0 | 0 | 0 | 110.9 | R89 H90 E95 L96 E97 | R89-L93 WeakPolarHBondContact O-CG 3.24Å; R89-L93 PolarHBondContact O-N 2.95Å; H90-L93 PolarHBondContact O-N 3.47Å; H90-L93 VanDerWaalsContact O-N 3.11Å; L93-E95 VanDerWaalsContact C-N 3.3Å; L93-E95 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 2.81Å; L93-L96 VanDerWaalsContact O-N 3.09Å; L93-E97 WeakPolarHBondContact O-CG 3.25Å; L93-E97 PolarHBondContact O-N 3.29Å |
| 94 | E | 97.6 | Very high | 96.2 | Very high | 113 Ų | 113 | 107 Ų | 107 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 177 | -173.8 | -179 | -169.3 | 0 | 0 | 111.9 | H90 E97 R98 | H90-E94 PolarHBondContact O-N 2.74Å; E94-E97 PolarHBondContact O-N 3.29Å; E94-R98 WeakPolarHBondContact O-CB 3.21Å; E94-R98 PolarHBondContact O-N 3.38Å |
| 95 | E | 97.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 111.2 Ų | 111.2 | 33% | 0.327 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -41 | 175.7 | -179.2 | 60.6 | -139.3 | 0 | 0 | 112.4 | M91 L93 R98 Q99 | M91-E95 PolarHBondContact O-N 2.87Å; M91-E95 VanDerWaalsContact O-N 3.11Å; L93-E95 VanDerWaalsContact C-N 3.3Å; L93-E95 PolarHBondContact O-N 3.46Å; E95-R98 PolarHBondContact O-N 2.91Å; E95-R98 IonicContact OE1-CZ 3.05Å; E95-R98 IonicContact OE1-NE 3.5Å; E95-R98 IonicContact OE1-NH2 2.61Å; E95-R98 PolarHBondContact OE1-NH2 2.74Å; E95-R98 IonicContact OE2-CZ 3.04Å; E95-R98 VanDerWaalsContact OE2-CZ 3.26Å; E95-R98 IonicContact OE2-NE 2.86Å; E95-R98 IonicContact OE2-NH1 3.38Å; E95-R98 IonicContact OE2-NH2 3.29Å; E95-R98 PolarHBondContact OE2-NH2 3.21Å; E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.15Å; E95-Q99 PolarHBondContact O-N 2.8Å; E95-Q99 PolarHBondContact OE1-NE2 2.99Å |
| 96 | L | 97.6 | Very high | 96.1 | Very high | 87 Ų | 87 | 113.8 Ų | 113.8 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.8 | -40.9 | 177.8 | -73.6 | 171.3 | 0 | 0 | 0 | 112 | K92 L93 Q99 Q100 | K92-L96 HydrophobicContact CG-CD1 4.44Å; K92-L96 WeakPolarHBondContact O-CG 3.2Å; K92-L96 PolarHBondContact O-N 2.97Å; K92-L96 VanDerWaalsContact O-N 3.16Å; L93-L96 PolarHBondContact O-N 2.81Å; L93-L96 VanDerWaalsContact O-N 3.09Å; L96-Q99 PolarHBondContact O-N 2.86Å; L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 PolarHBondContact O-N 3.04Å |
| 97 | E | 97.1 | Very high | 95.8 | Very high | 114 Ų | 114 | 112.2 Ų | 112.2 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 175 | -74.3 | 173.2 | 175.9 | 0 | 0 | 110.2 | L93 E94 Q99 Q100 E101 | L93-E97 WeakPolarHBondContact O-CG 3.25Å; L93-E97 PolarHBondContact O-N 3.29Å; E94-E97 PolarHBondContact O-N 3.29Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 2.98Å; E97-Q100 WeakPolarHBondContact O-CB 3.19Å; E97-Q100 PolarHBondContact O-N 3.47Å; E97-Q100 VanDerWaalsContact O-N 3.13Å; E97-E101 WeakPolarHBondContact O-CG 3.33Å; E97-E101 PolarHBondContact O-N 2.61Å |
| 98 | R | 97.4 | Very high | 95.6 | Very high | 123 Ų | 123 | 114.1 Ų | 114.1 | 46% | 0.464 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 176.2 | -167.3 | -173.1 | 71.6 | -167.8 | -3.5 | 112.5 | E94 E95 Q100 E101 Q102 | E94-R98 WeakPolarHBondContact O-CB 3.21Å; E94-R98 PolarHBondContact O-N 3.38Å; E95-R98 PolarHBondContact O-N 2.91Å; E95-R98 IonicContact OE1-CZ 3.05Å; E95-R98 IonicContact OE1-NE 3.5Å; E95-R98 IonicContact OE1-NH2 2.61Å; E95-R98 PolarHBondContact OE1-NH2 2.74Å; E95-R98 IonicContact OE2-CZ 3.04Å; E95-R98 VanDerWaalsContact OE2-CZ 3.26Å; E95-R98 IonicContact OE2-NE 2.86Å; E95-R98 IonicContact OE2-NH1 3.38Å; E95-R98 IonicContact OE2-NH2 3.29Å; E95-R98 PolarHBondContact OE2-NH2 3.21Å; R98-Q100 VanDerWaalsContact C-N 3.32Å; R98-E101 PolarHBondContact O-N 2.88Å; R98-Q102 VanDerWaalsContact O-CG 3.27Å; R98-Q102 WeakPolarHBondContact O-CG 3.3Å; R98-Q102 PolarHBondContact O-N 2.9Å |
| 99 | Q | 96.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 118.2 Ų | 118.2 | 35% | 0.35 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 176.9 | -74.8 | 175.4 | 16.3 | 0 | 0 | 112.2 | E95 L96 E97 Q102 Q103 | E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.15Å; E95-Q99 PolarHBondContact O-N 2.8Å; E95-Q99 PolarHBondContact OE1-NE2 2.99Å; L96-Q99 PolarHBondContact O-N 2.86Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 2.98Å; Q99-Q102 PolarHBondContact O-N 3.44Å; Q99-Q103 WeakPolarHBondContact O-CB 3.38Å; Q99-Q103 WeakPolarHBondContact O-CG 3.05Å; Q99-Q103 PolarHBondContact O-N 3.34Å |
| 100 | Q | 95.9 | Very high | 95.2 | Very high | 117 Ų | 117 | 112.1 Ų | 112.1 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 177 | -169.7 | -177.8 | 39.9 | 0 | 0 | 111.2 | L96 E97 R98 Q103 Q104 | L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 PolarHBondContact O-N 3.04Å; E97-Q100 WeakPolarHBondContact O-CB 3.19Å; E97-Q100 PolarHBondContact O-N 3.47Å; E97-Q100 VanDerWaalsContact O-N 3.13Å; R98-Q100 VanDerWaalsContact C-N 3.32Å; Q100-Q103 PolarHBondContact O-N 2.86Å; Q100-Q104 WeakPolarHBondContact O-CG 3.48Å; Q100-Q104 PolarHBondContact O-N 3.44Å |
| 101 | E | 96 | Very high | 95 | Very high | 130 Ų | 130 | 109.6 Ų | 109.6 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 174.2 | -72.6 | 177.6 | 172.4 | 0 | 0 | 111.4 | E97 R98 Q103 Q104 E105 | E97-E101 WeakPolarHBondContact O-CG 3.33Å; E97-E101 PolarHBondContact O-N 2.61Å; R98-E101 PolarHBondContact O-N 2.88Å; E101-Q103 PolarHBondContact O-N 3.14Å; E101-Q104 WeakPolarHBondContact O-CB 3.34Å; E101-Q104 PolarHBondContact O-N 3.06Å; E101-E105 PolarHBondContact O-N 3.27Å |
| 102 | Q | 95.4 | Very high | 94.8 | Very high | 89 Ų | 89 | 110.1 Ų | 110.1 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176 | -72.6 | 172.1 | 11.5 | 0 | 0 | 111.9 | R98 Q99 Q104 E105 E106 | R98-Q102 VanDerWaalsContact O-CG 3.27Å; R98-Q102 WeakPolarHBondContact O-CG 3.3Å; R98-Q102 PolarHBondContact O-N 2.9Å; Q99-Q102 PolarHBondContact O-N 3.44Å; Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.31Å; Q102-E105 PolarHBondContact O-N 3.43Å; Q102-E106 WeakPolarHBondContact O-CB 3.5Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.05Å |
| 103 | Q | 92.4 | Very high | 94.6 | Very high | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 176.1 | -80.1 | 173.3 | 29.5 | 0 | 0 | 112.5 | Q99 Q100 E101 N107 | Q99-Q103 WeakPolarHBondContact O-CB 3.38Å; Q99-Q103 WeakPolarHBondContact O-CG 3.05Å; Q99-Q103 PolarHBondContact O-N 3.34Å; Q100-Q103 PolarHBondContact O-N 2.86Å; E101-Q103 PolarHBondContact O-N 3.14Å; Q103-N107 WeakPolarHBondContact O-CB 3.47Å; Q103-N107 PolarHBondContact O-N 3.2Å |
| 104 | Q | 92.1 | Very high | 94.4 | Very high | 111 Ų | 111 | 107.3 Ų | 107.3 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 174.9 | -74.3 | 179.3 | 42.9 | 0 | 0 | 111 | Q100 E101 Q102 N107 L108 | Q100-Q104 WeakPolarHBondContact O-CG 3.48Å; Q100-Q104 PolarHBondContact O-N 3.44Å; E101-Q104 WeakPolarHBondContact O-CB 3.34Å; E101-Q104 PolarHBondContact O-N 3.06Å; Q102-Q104 VanDerWaalsContact C-N 3.33Å; Q102-Q104 PolarHBondContact O-N 3.31Å; Q104-N107 WeakPolarHBondContact O-CB 3.43Å; Q104-N107 PolarHBondContact O-N 3.46Å; Q104-L108 VanDerWaalsContact O-CG 3.31Å; Q104-L108 WeakPolarHBondContact O-CG 3.22Å; Q104-L108 PolarHBondContact O-N 3.25Å |
| 105 | E | 93.4 | Very high | 94.2 | Very high | 138 Ų | 138 | 103.9 Ų | 103.9 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | 177 | -173.5 | 178.7 | -176.7 | 0 | 0 | 111.6 | E101 Q102 N107 L108 R109 | E101-E105 PolarHBondContact O-N 3.27Å; Q102-E105 PolarHBondContact O-N 3.43Å; E105-N107 VanDerWaalsContact C-N 3.29Å; E105-N107 PolarHBondContact O-N 3.48Å; E105-L108 PolarHBondContact O-N 2.81Å; E105-R109 WeakPolarHBondContact O-CB 3.26Å; E105-R109 PolarHBondContact O-N 2.86Å |
| 106 | E | 92 | Very high | 94 | Very high | 134 Ų | 134 | 104.2 Ų | 104.2 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.1 | -39.9 | 174.3 | -74.1 | 179.2 | 177.1 | 0 | 0 | 111.8 | Q102 R109 A110 | Q102-E106 WeakPolarHBondContact O-CB 3.5Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.05Å; E106-R109 CarbonylContact O-C 3.59Å; E106-R109 PolarHBondContact O-N 3.47Å; E106-A110 WeakPolarHBondContact O-CB 3.41Å; E106-A110 PolarHBondContact O-N 3.01Å |
| 107 | N | 89.3 | Confident | 93.8 | Very high | 65 Ų | 65 | 106.5 Ų | 106.5 | 35% | 0.348 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.2 | -167.1 | -90 | 0 | 0 | 0 | 112.3 | Q103 Q104 E105 R109 A110 K115 | Q103-N107 WeakPolarHBondContact O-CB 3.47Å; Q103-N107 PolarHBondContact O-N 3.2Å; Q104-N107 WeakPolarHBondContact O-CB 3.43Å; Q104-N107 PolarHBondContact O-N 3.46Å; E105-N107 VanDerWaalsContact C-N 3.29Å; E105-N107 PolarHBondContact O-N 3.48Å; N107-R109 VanDerWaalsContact C-N 3.33Å; N107-A110 WeakPolarHBondContact O-CB 3.36Å; N107-A110 PolarHBondContact O-N 3.35Å; N107-K115 WeakPolarHBondContact O-CE 3.47Å |
| 108 | L | 90.2 | Very high | 93.5 | Very high | 136 Ų | 136 | 104.4 Ų | 104.4 | 71% | 0.712 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 174 | -69.3 | 174.5 | 0 | 0 | 0 | 111.5 | Q104 E105 A110 | Q104-L108 VanDerWaalsContact O-CG 3.31Å; Q104-L108 WeakPolarHBondContact O-CG 3.22Å; Q104-L108 PolarHBondContact O-N 3.25Å; E105-L108 PolarHBondContact O-N 2.81Å; L108-A110 VanDerWaalsContact C-N 3.3Å |
| 109 | R | 92.6 | Very high | 93.2 | Very high | 225 Ų | 225 | 102.8 Ų | 102.8 | 85% | 0.849 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.9 | -20.9 | 177 | -170.3 | 175.1 | 177.7 | -175.9 | -0.3 | 112.9 | E105 E106 N107 | E105-R109 WeakPolarHBondContact O-CB 3.26Å; E105-R109 PolarHBondContact O-N 2.86Å; E106-R109 CarbonylContact O-C 3.59Å; E106-R109 PolarHBondContact O-N 3.47Å; N107-R109 VanDerWaalsContact C-N 3.33Å |
| 110 | A | 93.9 | Very high | 93 | Very high | 22 Ų | 22 | 104.6 Ų | 104.6 | 18% | 0.182 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -66.7 | 144.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E106 N107 L108 K115 | E106-A110 WeakPolarHBondContact O-CB 3.41Å; E106-A110 PolarHBondContact O-N 3.01Å; N107-A110 WeakPolarHBondContact O-CB 3.36Å; N107-A110 PolarHBondContact O-N 3.35Å; L108-A110 VanDerWaalsContact C-N 3.3Å; A110-K115 WeakPolarHBondContact O-CE 3.25Å; A110-K115 PolarHBondContact O-NZ 3.42Å |
| 111 | P | 94.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 105.8 Ų | 105.8 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | trans | -61.2 | 151.2 | 171.7 | -23.4 | 33.8 | 0 | 0 | 0 | 112.9 | F113 V114 K115 | P111-F113 VanDerWaalsContact C-N 3.32Å; P111-F113 HydrophobicContact CB-CD1 3.66Å; P111-F113 HydrophobicContact CB-CE1 3.42Å; P111-F113 VanDerWaalsContact CB-CE1 3.42Å; P111-F113 HydrophobicContact CB-CZ 4.27Å; P111-F113 HydrophobicContact CG-CE1 3.95Å; P111-F113 HydrophobicContact CG-CZ 4.47Å; P111-F113 PolarHBondContact O-N 3.4Å; P111-V114 HydrophobicContact CB-CG2 4.45Å; P111-V114 WeakPolarHBondContact O-CB 3.33Å; P111-V114 PolarHBondContact O-N 2.94Å; P111-K115 PolarHBondContact O-N 3.29Å | ||
| 112 | E | 93 | Very high | 92.4 | Very high | 127 Ų | 127 | 106 Ų | 106 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -54 | -42 | -178.2 | -69.9 | -56.3 | 129.8 | 0 | 0 | 113.9 | V114 K115 V116 | E112-V114 PolarHBondContact O-N 2.93Å; E112-K115 PolarHBondContact O-N 3.4Å; E112-K115 VanDerWaalsContact O-N 3.16Å; E112-K115 WeakPolarHBondContact OE1-CE 3.26Å; E112-K115 IonicContact OE1-NZ 2.68Å; E112-K115 PolarHBondContact OE1-NZ 2.87Å; E112-V116 WeakPolarHBondContact O-CG2 3.34Å; E112-V116 PolarHBondContact O-N 3.1Å |
| 113 | F | 94.4 | Very high | 91.8 | Very high | 145 Ų | 145 | 106.1 Ų | 106.1 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -28.4 | -179 | 74 | -94.1 | 0 | 0 | 0 | 112.7 | P111 R117 | P111-F113 VanDerWaalsContact C-N 3.32Å; P111-F113 HydrophobicContact CB-CD1 3.66Å; P111-F113 HydrophobicContact CB-CE1 3.42Å; P111-F113 VanDerWaalsContact CB-CE1 3.42Å; P111-F113 HydrophobicContact CB-CZ 4.27Å; P111-F113 HydrophobicContact CG-CE1 3.95Å; P111-F113 HydrophobicContact CG-CZ 4.47Å; P111-F113 PolarHBondContact O-N 3.4Å; F113-R117 VanDerWaalsContact O-CB 3.27Å; F113-R117 WeakPolarHBondContact O-CB 3.3Å; F113-R117 PolarHBondContact O-N 3.36Å; F113-R117 VanDerWaalsContact O-N 3.09Å |
| 114 | V | 93.3 | Very high | 91.1 | Very high | 39 Ų | 39 | 103.2 Ų | 103.2 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -71.5 | -46.5 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | P111 E112 R117 E118 | P111-V114 HydrophobicContact CB-CG2 4.45Å; P111-V114 WeakPolarHBondContact O-CB 3.33Å; P111-V114 PolarHBondContact O-N 2.94Å; E112-V114 PolarHBondContact O-N 2.93Å; V114-R117 PolarHBondContact O-N 3.41Å; V114-E118 PolarHBondContact O-N 2.82Å |
| 115 | K | 93.1 | Very high | 89.9 | Confident | 41 Ų | 41 | 105 Ų | 105 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 175.8 | -72.9 | 179.7 | -108.4 | 177.5 | 0 | 111.8 | N107 A110 P111 E112 R117 E118 N119 | N107-K115 WeakPolarHBondContact O-CE 3.47Å; A110-K115 WeakPolarHBondContact O-CE 3.25Å; A110-K115 PolarHBondContact O-NZ 3.42Å; P111-K115 PolarHBondContact O-N 3.29Å; E112-K115 PolarHBondContact O-N 3.4Å; E112-K115 VanDerWaalsContact O-N 3.16Å; E112-K115 WeakPolarHBondContact OE1-CE 3.26Å; E112-K115 IonicContact OE1-NZ 2.68Å; E112-K115 PolarHBondContact OE1-NZ 2.87Å; K115-R117 VanDerWaalsContact C-N 3.33Å; K115-R117 PolarHBondContact O-N 2.98Å; K115-E118 PolarHBondContact O-N 2.92Å; K115-N119 VanDerWaalsContact O-CG 3.25Å; K115-N119 PolarHBondContact O-N 2.85Å; K115-N119 PolarHBondContact O-ND2 3.16Å |
| 116 | V | 93.7 | Very high | 88.3 | Confident | 77 Ų | 77 | 104.1 Ų | 104.1 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | E112 E118 N119 L120 | E112-V116 WeakPolarHBondContact O-CG2 3.34Å; E112-V116 PolarHBondContact O-N 3.1Å; V116-E118 VanDerWaalsContact C-N 3.34Å; V116-E118 PolarHBondContact O-N 2.92Å; V116-N119 PolarHBondContact O-N 3.48Å; V116-L120 HydrophobicContact CG1-CD1 4.22Å; V116-L120 WeakPolarHBondContact O-CG 3.39Å; V116-L120 PolarHBondContact O-N 2.93Å |
| 117 | R | 93.4 | Very high | 86.8 | Confident | 136 Ų | 136 | 100.9 Ų | 100.9 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.7 | -172.9 | -175.4 | 69.8 | 172.8 | 0.6 | 112.4 | F113 V114 K115 R121 | F113-R117 VanDerWaalsContact O-CB 3.27Å; F113-R117 WeakPolarHBondContact O-CB 3.3Å; F113-R117 PolarHBondContact O-N 3.36Å; F113-R117 VanDerWaalsContact O-N 3.09Å; V114-R117 PolarHBondContact O-N 3.41Å; K115-R117 VanDerWaalsContact C-N 3.33Å; K115-R117 PolarHBondContact O-N 2.98Å; R117-R121 WeakPolarHBondContact O-CG 3.32Å; R117-R121 PolarHBondContact O-N 2.67Å |
| 118 | E | 90.3 | Very high | 85.4 | Confident | 70 Ų | 70 | 103.8 Ų | 103.8 | 33% | 0.327 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 177.6 | -173 | 171.3 | 168.9 | 0 | 0 | 112.4 | V114 K115 V116 L120 R121 R122 | V114-E118 PolarHBondContact O-N 2.82Å; K115-E118 PolarHBondContact O-N 2.92Å; V116-E118 VanDerWaalsContact C-N 3.34Å; V116-E118 PolarHBondContact O-N 2.92Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.33Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.46Å; E118-R121 VanDerWaalsContact O-N 3.12Å; E118-R122 PolarHBondContact O-N 3.5Å; E118-R122 IonicContact OE1-CZ 3.99Å; E118-R122 VanDerWaalsContact OE1-CZ 3.27Å; E118-R122 IonicContact OE1-NE 3.29Å; E118-R122 PolarHBondContact OE1-NE 3.16Å; E118-R122 IonicContact OE1-NH2 3.27Å; E118-R122 PolarHBondContact OE1-NH2 2.59Å |
| 119 | N | 91.3 | Very high | 83.9 | Confident | 89 Ų | 89 | 104.3 Ų | 104.3 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.6 | -70.9 | -18.5 | 0 | 0 | 0 | 111.6 | K115 V116 R121 R122 T123 | K115-N119 VanDerWaalsContact O-CG 3.25Å; K115-N119 PolarHBondContact O-N 2.85Å; K115-N119 PolarHBondContact O-ND2 3.16Å; V116-N119 PolarHBondContact O-N 3.48Å; N119-R121 VanDerWaalsContact C-N 3.29Å; N119-R121 PolarHBondContact O-N 3.02Å; N119-R122 PolarHBondContact O-N 2.89Å; N119-T123 PolarHBondContact O-N 3.03Å; N119-T123 PolarHBondContact O-OG1 3.17Å; N119-T123 VanDerWaalsContact O-OG1 3.12Å |
| 120 | L | 92.6 | Very high | 82.3 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.5 | -37.3 | 176 | -71.1 | 174.3 | 0 | 0 | 0 | 112.5 | V116 E118 T123 S124 | V116-L120 HydrophobicContact CG1-CD1 4.22Å; V116-L120 WeakPolarHBondContact O-CG 3.39Å; V116-L120 PolarHBondContact O-N 2.93Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.33Å; L120-T123 WeakPolarHBondContact CA-OG1 3.4Å; L120-T123 PolarHBondContact O-OG1 2.71Å; L120-T123 VanDerWaalsContact O-OG1 3.07Å; L120-S124 PolarHBondContact O-N 2.89Å; L120-S124 VanDerWaalsContact O-N 3.09Å; L120-S124 PolarHBondContact O-OG 3.42Å |
| 121 | R | 90.8 | Very high | 80.4 | Confident | 143 Ų | 143 | 110.2 Ų | 110.2 | 54% | 0.54 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 174 | -71.7 | 175.1 | 174.8 | -173.7 | -3.8 | 111.6 | R117 E118 N119 T123 S124 F125 | R117-R121 WeakPolarHBondContact O-CG 3.32Å; R117-R121 PolarHBondContact O-N 2.67Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.46Å; E118-R121 VanDerWaalsContact O-N 3.12Å; N119-R121 VanDerWaalsContact C-N 3.29Å; N119-R121 PolarHBondContact O-N 3.02Å; R121-T123 VanDerWaalsContact C-N 3.35Å; R121-T123 PolarHBondContact O-N 2.97Å; R121-S124 PolarHBondContact O-N 3.47Å; R121-S124 PolarHBondContact O-OG 2.9Å; R121-F125 WeakPolarHBondContact O-CD2 3.38Å; R121-F125 PolarHBondContact O-N 3.07Å |
| 122 | R | 88.6 | Confident | 77.9 | Confident | 134 Ų | 134 | 116.6 Ų | 116.6 | 51% | 0.506 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.5 | -42.8 | -179.5 | -68.3 | 175.2 | 179.5 | -176.2 | -2.5 | 111.4 | E118 N119 S124 H126 | E118-R122 PolarHBondContact O-N 3.5Å; E118-R122 IonicContact OE1-CZ 3.99Å; E118-R122 VanDerWaalsContact OE1-CZ 3.27Å; E118-R122 IonicContact OE1-NE 3.29Å; E118-R122 PolarHBondContact OE1-NE 3.16Å; E118-R122 IonicContact OE1-NH2 3.27Å; E118-R122 PolarHBondContact OE1-NH2 2.59Å; N119-R122 PolarHBondContact O-N 2.89Å; R122-S124 PolarHBondContact O-N 2.8Å; R122-H126 PolarHBondContact O-CD2 2.82Å; R122-H126 PolarHBondContact O-N 2.71Å |
| 123 | T | 83.1 | Confident | 77.2 | Confident | 91 Ų | 91 | 116.1 Ų | 116.1 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.8 | -28.5 | 179 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | N119 L120 R121 A127 | N119-T123 PolarHBondContact O-N 3.03Å; N119-T123 PolarHBondContact O-OG1 3.17Å; N119-T123 VanDerWaalsContact O-OG1 3.12Å; L120-T123 WeakPolarHBondContact CA-OG1 3.4Å; L120-T123 PolarHBondContact O-OG1 2.71Å; L120-T123 VanDerWaalsContact O-OG1 3.07Å; R121-T123 VanDerWaalsContact C-N 3.35Å; R121-T123 PolarHBondContact O-N 2.97Å; T123-A127 PolarHBondContact O-N 2.9Å |
| 124 | S | 77.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 114.5 Ų | 114.5 | 43% | 0.434 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.9 | -36.7 | 177.1 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | L120 R121 R122 | L120-S124 PolarHBondContact O-N 2.89Å; L120-S124 VanDerWaalsContact O-N 3.09Å; L120-S124 PolarHBondContact O-OG 3.42Å; R121-S124 PolarHBondContact O-N 3.47Å; R121-S124 PolarHBondContact O-OG 2.9Å; R122-S124 PolarHBondContact O-N 2.8Å |
| 125 | F | 66.1 | Low | 75.3 | Confident | 147 Ų | 147 | 118.7 Ų | 118.7 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.3 | -32.6 | 178.5 | -70.9 | -69.9 | 0 | 0 | 0 | 113.4 | R121 A127 | R121-F125 WeakPolarHBondContact O-CD2 3.38Å; R121-F125 PolarHBondContact O-N 3.07Å; F125-A127 VanDerWaalsContact C-N 3.3Å; F125-A127 PolarHBondContact O-N 3.19Å |
| 126 | H | 61.1 | Low | 74.3 | Confident | 120 Ų | 120 | 123.3 Ų | 123.3 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -6.1 | 178.2 | -68.9 | -56 | 0 | 0 | 0 | 114.4 | R122 E129 | R122-H126 PolarHBondContact O-CD2 2.82Å; R122-H126 PolarHBondContact O-N 2.71Å; H126-E129 IonicContact CE1-OE2 2.87Å; H126-E129 IonicContact ND1-OE2 2.8Å; H126-E129 PolarHBondContact ND1-OE2 2.77Å |
| 127 | A | 59.9 | Low | 73 | Confident | 66 Ų | 66 | 126.2 Ų | 126.2 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -33.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | T123 F125 | T123-A127 PolarHBondContact O-N 2.9Å; F125-A127 VanDerWaalsContact C-N 3.3Å; F125-A127 PolarHBondContact O-N 3.19Å |
| 128 | D | 58.7 | Low | 71.7 | Confident | 126 Ų | 126 | 125.5 Ų | 125.5 | 67% | 0.674 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -82.1 | -19.4 | -174.8 | -60.3 | -38.5 | 0 | 0 | 0 | 113.5 | ||
| 129 | E | 59.8 | Low | 70.3 | Confident | 147 Ų | 147 | 129.5 Ų | 129.5 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -83.9 | -6.8 | -178.6 | -62.7 | -174.2 | 140 | 0 | 0 | 114 | H126 | H126-E129 IonicContact CE1-OE2 2.87Å; H126-E129 IonicContact ND1-OE2 2.8Å; H126-E129 PolarHBondContact ND1-OE2 2.77Å |
| 130 | K | 58.9 | Low | 68.7 | Low | 193 Ų | 193 | 132.6 Ų | 132.6 | 84% | 0.839 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -97 | 3.6 | -179.8 | -68.9 | -133.2 | -179.5 | -171.3 | 0 | 114.4 | ||
| 131 | E | 54.5 | Low | 66.7 | Low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -120.2 | 59.2 | 179.8 | -156 | -177 | -163.8 | 0 | 0 | 111.3 | ||||
| 132 | V | 41.8 | Very low | 64.6 | Low | 205 Ų | 205 | 133.5 Ų | 133.5 | 100% | 1.242 | 68% | 0.683 | S | S | * | * | trans | -144.2 | 0 | 165.4 | 176.3 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 132 of 132 residues in 37.3 ms
(Link to these results)