| 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 | 28.5 | Very low | 26.9 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | 0 | 126.9 | 0 | -138.3 | 162.9 | 167.3 | 0 | 0 | 107.7 | Y3 | M1-Y3 HydrophobicContact CB-CE2 3.97Å; M1-Y3 WeakPolarHBondContact CE-OH 3.43Å; M1-Y3 HydrophobicContact CG-CE2 4.28Å; M1-Y3 WeakPolarHBondContact CG-OH 3.31Å; M1-Y3 PolarHBondContact SD-OH 3.09Å | |||
| 2 | P | 32.6 | Very low | 26.7 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -79.3 | 150.5 | -179.9 | 34.3 | -32.4 | 0 | 0 | 0 | 110.4 | ||||
| 3 | Y | 28.3 | Very low | 26.5 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -150.5 | 126.4 | 162.4 | -61.1 | -71.4 | 0 | 0 | 0 | 113.1 | M1 | M1-Y3 HydrophobicContact CB-CE2 3.97Å; M1-Y3 WeakPolarHBondContact CE-OH 3.43Å; M1-Y3 HydrophobicContact CG-CE2 4.28Å; M1-Y3 WeakPolarHBondContact CG-OH 3.31Å; M1-Y3 PolarHBondContact SD-OH 3.09Å | ||
| 4 | L | 27.2 | Very low | 26.7 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 67.7 | 96.2 | 133.9 | -69.8 | 158.5 | 0 | 0 | 0 | 119.1 | ||||
| 5 | T | 30.6 | Very low | 27 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | trans | -64.7 | 122.4 | 152.1 | 39.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | G | 24.9 | Very low | 27 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | trans | -158.8 | 123 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 7 | F | 25.1 | Very low | 27.3 | Very low | 213 Ų | 213 | 129.2 Ų | 129.2 | 93% | 0.934 | 77% | 0.769 | S | S | * | * | trans | 27.1 | 118.2 | 140.9 | -67.6 | -90.9 | 0 | 0 | 0 | 120.3 | ||||
| 8 | G | 25.6 | Very low | 27.4 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 73.6 | 175 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 9 | V | 24.7 | Very low | 27.7 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | 86.4 | 101.7 | 167 | -149.3 | 0 | 0 | 0 | 0 | 117.1 | S11 | V9-S11 PolarHBondContact O-N 3.2Å; V9-S11 VanDerWaalsContact O-N 3.16Å; V9-S11 PolarHBondContact O-OG 2.84Å | ||
| 10 | N | 23.6 | Very low | 27.8 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | 3.8 | 99.2 | 131.3 | -73.9 | -36.4 | 0 | 0 | 0 | 114.3 | ||||
| 11 | S | 24.7 | Very low | 28.2 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -147.3 | 105.2 | 174.9 | 34.4 | 0 | 0 | 0 | 0 | 111.5 | V9 A13 | V9-S11 PolarHBondContact O-N 3.2Å; V9-S11 VanDerWaalsContact O-N 3.16Å; V9-S11 PolarHBondContact O-OG 2.84Å; S11-A13 PolarHBondContact O-N 3.35Å; S11-A13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | C | 24.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 93% | 0.932 | 71% | 0.713 | S | S | * | * | trans | -49.4 | 110.3 | 158.4 | -66 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | A | 23.6 | Very low | 28.3 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | trans | -145.2 | 92.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S11 | S11-A13 PolarHBondContact O-N 3.35Å; S11-A13 VanDerWaalsContact O-N 3.13Å | ||
| 14 | P | 29.4 | Very low | 28.6 | Very low | 68 Ų | 68 | 122.9 Ų | 122.9 | 44% | 0.442 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -126.7 | 126 | 139.3 | 34.8 | -22.9 | 0 | 0 | 0 | 109 | ||
| 15 | F | 31.5 | Very low | 28.7 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | trans | 72 | 90.6 | 172 | -53.1 | -73.1 | 0 | 0 | 0 | 116.2 | F17 | F15-F17 HydrophobicContact CB-CD2 3.96Å; F15-F17 AromaticContact CD1-CD2 3.98Å; F15-F17 HydrophobicContact CD1-CD2 3.98Å; F15-F17 AromaticContact CD1-CE2 3.87Å; F15-F17 HydrophobicContact CD1-CE2 3.87Å; F15-F17 HydrophobicContact CG-CD2 4.38Å; F15-F17 PolarHBondContact O-N 2.9Å | ||
| 16 | G | 27.7 | Very low | 28.7 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 88% | 0.876 | 67% | 0.674 | S | S | * | * | trans | -70 | 34 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 17 | F | 30.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 57% | 0.57 | 68% | 0.68 | S | S | * | * | trans | -79.9 | 119.7 | 167.9 | -71.8 | -65.9 | 0 | 0 | 0 | 107.8 | F15 A19 E21 | F15-F17 HydrophobicContact CB-CD2 3.96Å; F15-F17 AromaticContact CD1-CD2 3.98Å; F15-F17 HydrophobicContact CD1-CD2 3.98Å; F15-F17 AromaticContact CD1-CE2 3.87Å; F15-F17 HydrophobicContact CD1-CE2 3.87Å; F15-F17 HydrophobicContact CG-CD2 4.38Å; F15-F17 PolarHBondContact O-N 2.9Å; F17-A19 PolarHBondContact O-N 3.19Å; F17-E21 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 18 | R | 30.1 | Very low | 29.1 | Very low | 191 Ų | 191 | 112.4 Ų | 112.4 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | trans | -63.9 | 132.6 | 167.1 | -77.3 | -178.7 | 165.6 | -177 | -3.1 | 106.1 | R20 E21 | R18-R20 HydrophobicContact CB-CB 4.38Å; R18-R20 PolarHBondContact O-N 3.28Å; R18-E21 HydrophobicContact CB-CG 4.37Å; R18-E21 PolarHBondContact N-OE2 3.35Å; R18-E21 VanDerWaalsContact N-OE2 3.13Å; R18-E21 WeakPolarHBondContact O-CB 3.33Å; R18-E21 PolarHBondContact O-N 3.43Å | ||
| 19 | A | 32.5 | Very low | 29.3 | Very low | 65 Ų | 65 | 113.1 Ų | 113.1 | 54% | 0.537 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -46.7 | -30.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F17 E21 L22 F23 | F17-A19 PolarHBondContact O-N 3.19Å; A19-E21 VanDerWaalsContact C-N 3.35Å; A19-E21 PolarHBondContact O-N 2.64Å; A19-L22 PolarHBondContact O-N 2.99Å; A19-F23 HydrophobicContact CB-CE2 4.5Å; A19-F23 WeakPolarHBondContact O-CD2 3.3Å; A19-F23 PolarHBondContact O-N 3.49Å |
| 20 | R | 30.5 | Very low | 29.6 | Very low | 193 Ų | 193 | 110.3 Ų | 110.3 | 73% | 0.728 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.6 | -40.5 | 172.6 | -148.2 | 173.7 | -165 | 170.9 | 3.7 | 114.4 | R18 F23 D24 | R18-R20 HydrophobicContact CB-CB 4.38Å; R18-R20 PolarHBondContact O-N 3.28Å; R20-F23 PolarHBondContact O-N 3.47Å; R20-D24 PolarHBondContact O-N 3.22Å |
| 21 | E | 34.8 | Very low | 30.2 | Very low | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.481 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.4 | -30 | -178.4 | -64.8 | 166.5 | 164.5 | 0 | 0 | 112.6 | F17 R18 A19 F23 | F17-E21 WeakPolarHBondContact CA-OE2 3.45Å; R18-E21 HydrophobicContact CB-CG 4.37Å; R18-E21 PolarHBondContact N-OE2 3.35Å; R18-E21 VanDerWaalsContact N-OE2 3.13Å; R18-E21 WeakPolarHBondContact O-CB 3.33Å; R18-E21 PolarHBondContact O-N 3.43Å; A19-E21 VanDerWaalsContact C-N 3.35Å; A19-E21 PolarHBondContact O-N 2.64Å; E21-F23 VanDerWaalsContact C-N 3.26Å; E21-F23 PolarHBondContact O-N 3.18Å |
| 22 | L | 30.7 | Very low | 31 | Very low | 77 Ų | 77 | 108.9 Ų | 108.9 | 40% | 0.403 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.9 | -24.7 | 174 | -109.8 | 145.6 | 0 | 0 | 0 | 112.3 | A19 | A19-L22 PolarHBondContact O-N 2.99Å |
| 23 | F | 34 | Very low | 31.9 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 49% | 0.491 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -100.8 | -20.7 | 178.3 | -63.6 | -67.7 | 0 | 0 | 0 | 113.4 | A19 R20 E21 G25 I26 | A19-F23 HydrophobicContact CB-CE2 4.5Å; A19-F23 WeakPolarHBondContact O-CD2 3.3Å; A19-F23 PolarHBondContact O-N 3.49Å; R20-F23 PolarHBondContact O-N 3.47Å; E21-F23 VanDerWaalsContact C-N 3.26Å; E21-F23 PolarHBondContact O-N 3.18Å; F23-G25 VanDerWaalsContact C-N 3.28Å; F23-G25 PolarHBondContact O-N 3.44Å; F23-I26 HydrophobicContact CD1-CD1 4.32Å; F23-I26 CarbonylContact O-C 3.48Å; F23-I26 PolarHBondContact O-N 3.25Å; F23-I26 VanDerWaalsContact O-N 3.11Å |
| 24 | D | 33.4 | Very low | 32.4 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 65% | 0.647 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.2 | -26.1 | 175.7 | -76.1 | -23 | 0 | 0 | 0 | 112.5 | R20 I26 | R20-D24 PolarHBondContact O-N 3.22Å; D24-I26 VanDerWaalsContact C-N 3.34Å |
| 25 | G | 30.9 | Very low | 32.7 | Very low | 73 Ų | 73 | 112.4 Ų | 112.4 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -13.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F23 S27 | F23-G25 VanDerWaalsContact C-N 3.28Å; F23-G25 PolarHBondContact O-N 3.44Å; G25-S27 PolarHBondContact O-N 3.02Å |
| 26 | I | 30 | Very low | 33.1 | Very low | 83 Ų | 83 | 115.4 Ų | 115.4 | 43% | 0.426 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -98 | 89.9 | 173.3 | -52.1 | 177.1 | 0 | 0 | 0 | 106.1 | F23 D24 V28 | F23-I26 HydrophobicContact CD1-CD1 4.32Å; F23-I26 CarbonylContact O-C 3.48Å; F23-I26 PolarHBondContact O-N 3.25Å; F23-I26 VanDerWaalsContact O-N 3.11Å; D24-I26 VanDerWaalsContact C-N 3.34Å; I26-V28 HydrophobicContact CG2-CG2 3.6Å; I26-V28 PolarHBondContact O-N 2.85Å |
| 27 | S | 29.5 | Very low | 33.9 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | trans | -62.9 | 76.7 | 164.4 | 173.1 | 0 | 0 | 0 | 0 | 109 | G25 C29 | G25-S27 PolarHBondContact O-N 3.02Å; S27-C29 PolarHBondContact O-N 2.82Å | ||
| 28 | V | 29.2 | Very low | 34.9 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 60% | 0.6 | 65% | 0.652 | S | S | * | * | trans | -70.6 | 108.5 | 159.2 | -174.2 | 0 | 0 | 0 | 0 | 103.8 | I26 S30 | I26-V28 HydrophobicContact CG2-CG2 3.6Å; I26-V28 PolarHBondContact O-N 2.85Å; V28-S30 PolarHBondContact O-N 2.94Å | ||
| 29 | C | 28.8 | Very low | 35.9 | Very low | 90 Ų | 90 | 122.1 Ų | 122.1 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | trans | -48 | 112.4 | 173.1 | -64.4 | 0 | 0 | 0 | 0 | 108.1 | S27 | S27-C29 PolarHBondContact O-N 2.82Š| ||
| 30 | S | 32.2 | Very low | 36.7 | Very low | 57 Ų | 57 | 124 Ų | 124 | 40% | 0.399 | 67% | 0.669 | S | S | . | * | trans | -48 | 130 | 173.8 | 161.5 | 0 | 0 | 0 | 0 | 108.2 | V28 N32 T33 | V28-S30 PolarHBondContact O-N 2.94Å; S30-N32 PolarHBondContact O-N 3.49Å; S30-N32 PolarHBondContact OG-N 3.45Å; S30-N32 VanDerWaalsContact OG-N 3.17Å; S30-T33 WeakPolarHBondContact CB-OG1 3.22Å; S30-T33 PolarHBondContact O-N 3.47Å; S30-T33 PolarHBondContact O-OG1 2.98Å | ||
| 31 | P | 36.2 | Very low | 37.7 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -57.7 | -15.3 | 174.6 | -21.6 | 31.3 | 0 | 0 | 0 | 113 | ||
| 32 | N | 41.1 | Very low | 38.6 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -95.6 | 4.4 | -175.6 | -70.2 | -12.6 | 0 | 0 | 0 | 114.5 | S30 | S30-N32 PolarHBondContact O-N 3.49Å; S30-N32 PolarHBondContact OG-N 3.45Å; S30-N32 VanDerWaalsContact OG-N 3.17Å |
| 33 | T | 43.8 | Very low | 39.4 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -91.2 | -7.1 | 176.9 | -3.1 | 0 | 0 | 0 | 0 | 113.9 | S30 G35 | S30-T33 WeakPolarHBondContact CB-OG1 3.22Å; S30-T33 PolarHBondContact O-N 3.47Å; S30-T33 PolarHBondContact O-OG1 2.98Å; T33-G35 PolarHBondContact O-N 2.94Å; T33-G35 VanDerWaalsContact O-N 3.1Å |
| 34 | Y | 33.8 | Very low | 40.3 | Very low | 211 Ų | 211 | 123.3 Ų | 123.3 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -79.3 | 93.1 | 163.4 | -78.5 | -82.4 | 0 | 0 | 0 | 108.1 | ||
| 35 | G | 36.3 | Very low | 41.1 | Very low | 59 Ų | 59 | 128.6 Ų | 128.6 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | trans | -48.7 | 144.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T33 R37 | T33-G35 PolarHBondContact O-N 2.94Å; T33-G35 VanDerWaalsContact O-N 3.1Å; G35-R37 PolarHBondContact O-N 3.24Å | ||
| 36 | K | 39 | Very low | 41.8 | Very low | 218 Ų | 218 | 130.8 Ų | 130.8 | 95% | 0.948 | 72% | 0.72 | S | S | * | * | trans | -43.8 | 86.6 | 161.3 | -63.3 | 175.4 | 178 | -179.7 | 0 | 109.9 | ||||
| 37 | R | 45.3 | Very low | 42.6 | Very low | 239 Ų | 239 | 129.9 Ų | 129.9 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -107.3 | 114.7 | 161.2 | -91.4 | -173.4 | 174 | -168.1 | -1.5 | 105.5 | G35 | G35-R37 PolarHBondContact O-N 3.24Š| ||
| 38 | E | 50 | Low | 43.3 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -47.6 | 142.3 | 173.9 | -66.1 | -162 | 141.6 | 0 | 0 | 110.4 | S40 | E38-S40 PolarHBondContact O-N 3.04Š| ||
| 39 | P | 51.4 | Low | 44 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | trans | -71.1 | 86.1 | 177.5 | 29.9 | -31.7 | 0 | 0 | 0 | 108.4 | S41 | P39-S41 PolarHBondContact O-N 3.48Š| ||
| 40 | S | 50 | Low | 44.7 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -69.7 | 119.8 | 164.1 | 55.1 | 0 | 0 | 0 | 0 | 108.2 | E38 G42 | E38-S40 PolarHBondContact O-N 3.04Å; S40-G42 PolarHBondContact O-N 2.83Å | ||
| 41 | S | 50.8 | Low | 45.2 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -33.2 | 112.9 | 171.9 | 52 | 0 | 0 | 0 | 0 | 113.3 | P39 | P39-S41 PolarHBondContact O-N 3.48Š|
| 42 | G | 54.5 | Low | 45.3 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | 158 | 6.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | S40 | S40-G42 PolarHBondContact O-N 2.83Š| ||
| 43 | S | 48.2 | Very low | 46 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 53% | 0.531 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -97.7 | 18.8 | -161.7 | 68.3 | 0 | 0 | 0 | 0 | 118 | R45 L46 | S43-R45 PolarHBondContact O-N 2.87Å; S43-L46 PolarHBondContact O-N 2.89Å; S43-L46 VanDerWaalsContact O-N 3.09Å |
| 44 | E | 51.1 | Low | 46.4 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -66.4 | -19.7 | 178.3 | -74.9 | -173 | 158.5 | 0 | 0 | 113.9 | ||
| 45 | R | 50.3 | Low | 47.1 | Very low | 232 Ų | 232 | 128.2 Ų | 128.2 | 88% | 0.875 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -91.8 | -5.4 | 172.7 | -83.9 | -178.2 | 159.6 | 177.8 | -4.8 | 115.1 | S43 | S43-R45 PolarHBondContact O-N 2.87Š|
| 46 | L | 46.8 | Very low | 48.2 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 62% | 0.623 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -15.4 | 179.1 | -80.9 | 161.7 | 0 | 0 | 0 | 113.1 | S43 S49 G50 | S43-L46 PolarHBondContact O-N 2.89Å; S43-L46 VanDerWaalsContact O-N 3.09Å; L46-S49 PolarHBondContact O-N 3.43Å; L46-G50 PolarHBondContact O-N 3.33Å |
| 47 | A | 46.8 | Very low | 48.7 | Very low | 65 Ų | 65 | 125 Ų | 125 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.6 | -34.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S49 G50 L51 | A47-S49 VanDerWaalsContact C-N 3.34Å; A47-G50 PolarHBondContact O-N 3.49Å; A47-L51 PolarHBondContact O-N 3.14Å |
| 48 | E | 43.1 | Very low | 49.1 | Very low | 152 Ų | 152 | 117.6 Ų | 117.6 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.7 | -33.1 | 173.4 | -80.6 | -175 | 148.2 | 0 | 0 | 112.6 | G50 L51 L52 | E48-G50 VanDerWaalsContact C-N 3.3Å; E48-G50 PolarHBondContact O-N 2.8Å; E48-L51 PolarHBondContact O-N 2.86Å; E48-L52 PolarHBondContact O-N 3.26Å |
| 49 | S | 44.5 | Very low | 49.4 | Very low | 72 Ų | 72 | 113 Ų | 113 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.6 | -28.1 | 172 | -83.3 | 0 | 0 | 0 | 0 | 112.8 | L46 A47 T53 | L46-S49 PolarHBondContact O-N 3.43Å; A47-S49 VanDerWaalsContact C-N 3.34Å; S49-T53 WeakPolarHBondContact O-CG2 3.2Å; S49-T53 PolarHBondContact O-N 2.84Å |
| 50 | G | 44.4 | Very low | 49.7 | Very low | 33 Ų | 33 | 109.9 Ų | 109.9 | 34% | 0.34 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75.1 | -26.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L46 A47 E48 T53 N54 | L46-G50 PolarHBondContact O-N 3.33Å; A47-G50 PolarHBondContact O-N 3.49Å; E48-G50 VanDerWaalsContact C-N 3.3Å; E48-G50 PolarHBondContact O-N 2.8Å; G50-T53 WeakPolarHBondContact CA-OG1 3.32Å; G50-T53 PolarHBondContact O-OG1 3.46Å; G50-N54 PolarHBondContact O-N 3.47Å |
| 51 | L | 41.1 | Very low | 49.9 | Very low | 127 Ų | 127 | 108 Ų | 108 | 67% | 0.665 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.2 | -35 | 176.4 | -83.7 | 155.2 | 0 | 0 | 0 | 112.1 | A47 E48 R55 | A47-L51 PolarHBondContact O-N 3.14Å; E48-L51 PolarHBondContact O-N 2.86Å; L51-R55 PolarHBondContact O-N 3.33Å |
| 52 | L | 40 | Very low | 50.3 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.1 | -35.7 | 173.4 | -79.5 | 162.1 | 0 | 0 | 0 | 112 | E48 T56 | E48-L52 PolarHBondContact O-N 3.26Å; L52-T56 VanDerWaalsContact O-CB 3.31Å; L52-T56 WeakPolarHBondContact O-CB 3.41Å; L52-T56 PolarHBondContact O-N 3.15Å; L52-T56 PolarHBondContact O-OG1 3.36Å |
| 53 | T | 54.2 | Low | 50.5 | Low | 86 Ų | 86 | 112.6 Ų | 112.6 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.3 | -36.8 | 179.3 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | S49 G50 T56 R57 | S49-T53 WeakPolarHBondContact O-CG2 3.2Å; S49-T53 PolarHBondContact O-N 2.84Å; G50-T53 WeakPolarHBondContact CA-OG1 3.32Å; G50-T53 PolarHBondContact O-OG1 3.46Å; T53-T56 PolarHBondContact O-N 3.18Å; T53-R57 VanDerWaalsContact O-CB 3.22Å; T53-R57 WeakPolarHBondContact O-CB 3.44Å; T53-R57 PolarHBondContact O-N 2.94Å |
| 54 | N | 51.8 | Low | 50.9 | Low | 93 Ų | 93 | 112.5 Ų | 112.5 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.3 | -43.8 | 175.8 | -85.6 | -16.9 | 0 | 0 | 0 | 112.7 | G50 T56 R57 Q58 | G50-N54 PolarHBondContact O-N 3.47Å; N54-T56 VanDerWaalsContact C-N 3.34Å; N54-T56 PolarHBondContact O-N 3.33Å; N54-R57 PolarHBondContact O-N 3.39Å; N54-Q58 PolarHBondContact O-N 3.18Å |
| 55 | R | 49.9 | Very low | 51.4 | Low | 198 Ų | 198 | 105.4 Ų | 105.4 | 75% | 0.747 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 176.5 | -166 | 175.5 | -177.2 | 177 | 1 | 111.7 | L51 R57 Q58 E59 | L51-R55 PolarHBondContact O-N 3.33Å; R55-R57 VanDerWaalsContact C-N 3.31Å; R55-R57 PolarHBondContact O-N 3.43Å; R55-Q58 PolarHBondContact O-N 3.04Å; R55-E59 WeakPolarHBondContact O-CB 3.29Å; R55-E59 PolarHBondContact O-N 2.88Å |
| 56 | T | 58.3 | Low | 52 | Low | 92 Ų | 92 | 98.8 Ų | 98.8 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -35.2 | 176.2 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | L52 T53 N54 S60 | L52-T56 VanDerWaalsContact O-CB 3.31Å; L52-T56 WeakPolarHBondContact O-CB 3.41Å; L52-T56 PolarHBondContact O-N 3.15Å; L52-T56 PolarHBondContact O-OG1 3.36Å; T53-T56 PolarHBondContact O-N 3.18Å; N54-T56 VanDerWaalsContact C-N 3.34Å; N54-T56 PolarHBondContact O-N 3.33Å; T56-S60 VanDerWaalsContact O-CB 3.3Å; T56-S60 WeakPolarHBondContact O-CB 3.47Å; T56-S60 PolarHBondContact O-N 2.76Å |
| 57 | R | 51.1 | Low | 52.7 | Low | 118 Ų | 118 | 98.1 Ų | 98.1 | 45% | 0.445 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 176 | -172.1 | 177.9 | -180 | -168.2 | -2.7 | 111.9 | T53 N54 R55 E59 S60 V61 | T53-R57 VanDerWaalsContact O-CB 3.22Å; T53-R57 WeakPolarHBondContact O-CB 3.44Å; T53-R57 PolarHBondContact O-N 2.94Å; N54-R57 PolarHBondContact O-N 3.39Å; R55-R57 VanDerWaalsContact C-N 3.31Å; R55-R57 PolarHBondContact O-N 3.43Å; R57-E59 VanDerWaalsContact C-N 3.34Å; R57-E59 PolarHBondContact O-N 3.35Å; R57-S60 PolarHBondContact O-N 3.36Å; R57-V61 VanDerWaalsContact O-CG2 3.3Å; R57-V61 WeakPolarHBondContact O-CG2 3.33Å; R57-V61 PolarHBondContact O-N 3.27Å |
| 58 | Q | 53.8 | Low | 53.5 | Low | 82 Ų | 82 | 98.7 Ų | 98.7 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.7 | -73.4 | -175.4 | -15 | 0 | 0 | 111.8 | N54 R55 V61 R62 | N54-Q58 PolarHBondContact O-N 3.18Å; R55-Q58 PolarHBondContact O-N 3.04Å; Q58-V61 PolarHBondContact O-N 3.41Å; Q58-R62 WeakPolarHBondContact O-CB 3.4Å; Q58-R62 VanDerWaalsContact O-CG 3.29Å; Q58-R62 WeakPolarHBondContact O-CG 3.3Å; Q58-R62 PolarHBondContact O-N 3.2Å |
| 59 | E | 56.1 | Low | 54.5 | Low | 79 Ų | 79 | 93.6 Ų | 93.6 | 37% | 0.369 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.1 | -178.3 | 61 | -164.3 | 0 | 0 | 111.9 | R55 R57 V61 R62 R63 | R55-E59 WeakPolarHBondContact O-CB 3.29Å; R55-E59 PolarHBondContact O-N 2.88Å; R57-E59 VanDerWaalsContact C-N 3.34Å; R57-E59 PolarHBondContact O-N 3.35Å; E59-V61 PolarHBondContact O-N 3.47Å; E59-R62 PolarHBondContact O-N 2.92Å; E59-R63 WeakPolarHBondContact O-CG 3.21Å; E59-R63 PolarHBondContact O-N 2.92Å; E59-R63 IonicContact OE1-CZ 3.37Å; E59-R63 IonicContact OE1-NE 2.83Å; E59-R63 PolarHBondContact OE1-NE 3.1Å; E59-R63 IonicContact OE1-NH2 3.04Å; E59-R63 PolarHBondContact OE1-NH2 2.9Å |
| 60 | S | 56.5 | Low | 55.6 | Low | 67 Ų | 67 | 97 Ų | 97 | 47% | 0.469 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 112 | T56 R57 R63 T64 | T56-S60 VanDerWaalsContact O-CB 3.3Å; T56-S60 WeakPolarHBondContact O-CB 3.47Å; T56-S60 PolarHBondContact O-N 2.76Å; R57-S60 PolarHBondContact O-N 3.36Å; S60-R63 PolarHBondContact O-N 3.4Å; S60-T64 WeakPolarHBondContact O-CB 3.45Å; S60-T64 PolarHBondContact O-N 3.18Å; S60-T64 PolarHBondContact O-OG1 2.86Å |
| 61 | V | 55 | Low | 56.5 | Low | 64 Ų | 64 | 99.1 Ų | 99.1 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 175.5 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | R57 Q58 E59 R63 T64 I65 V106 | R57-V61 VanDerWaalsContact O-CG2 3.3Å; R57-V61 WeakPolarHBondContact O-CG2 3.33Å; R57-V61 PolarHBondContact O-N 3.27Å; Q58-V61 PolarHBondContact O-N 3.41Å; E59-V61 PolarHBondContact O-N 3.47Å; V61-R63 PolarHBondContact O-N 3.49Å; V61-T64 PolarHBondContact O-N 2.92Å; V61-I65 HydrophobicContact CG1-CD1 3.75Å; V61-I65 HydrophobicContact CG1-CG1 4.41Å; V61-I65 WeakPolarHBondContact O-CD1 3.49Å; V61-I65 WeakPolarHBondContact O-CG1 3.41Å; V61-I65 PolarHBondContact O-N 3.35Å; V61-V106 HydrophobicContact CG1-CG1 4.08Å |
| 62 | R | 59.6 | Low | 57.7 | Low | 145 Ų | 145 | 94.5 Ų | 94.5 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57 | -46.1 | 176 | -75.1 | 175.3 | -179.1 | -167.1 | -2.4 | 112.3 | Q58 E59 I65 F66 | Q58-R62 WeakPolarHBondContact O-CB 3.4Å; Q58-R62 VanDerWaalsContact O-CG 3.29Å; Q58-R62 WeakPolarHBondContact O-CG 3.3Å; Q58-R62 PolarHBondContact O-N 3.2Å; E59-R62 PolarHBondContact O-N 2.92Å; R62-I65 PolarHBondContact O-N 3.18Å; R62-F66 WeakPolarHBondContact O-CB 3.46Å; R62-F66 PolarHBondContact O-N 3.44Å |
| 63 | R | 57.4 | Low | 58.7 | Low | 152 Ų | 152 | 90.8 Ų | 90.8 | 57% | 0.574 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 176.5 | -72.5 | 177.9 | -172.6 | -165.3 | 0.8 | 112.1 | E59 S60 V61 I65 F66 H67 | E59-R63 WeakPolarHBondContact O-CG 3.21Å; E59-R63 PolarHBondContact O-N 2.92Å; E59-R63 IonicContact OE1-CZ 3.37Å; E59-R63 IonicContact OE1-NE 2.83Å; E59-R63 PolarHBondContact OE1-NE 3.1Å; E59-R63 IonicContact OE1-NH2 3.04Å; E59-R63 PolarHBondContact OE1-NH2 2.9Å; S60-R63 PolarHBondContact O-N 3.4Å; V61-R63 PolarHBondContact O-N 3.49Å; R63-I65 VanDerWaalsContact C-N 3.34Å; R63-I65 PolarHBondContact O-N 2.94Å; R63-F66 PolarHBondContact O-N 2.77Å; R63-H67 WeakPolarHBondContact O-CB 3.48Å; R63-H67 PolarHBondContact O-CD2 2.71Å; R63-H67 PolarHBondContact O-N 3.3Å |
| 64 | T | 58 | Low | 59.1 | Low | 75 Ų | 75 | 91.1 Ų | 91.1 | 46% | 0.46 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 179 | -57.8 | 0 | 0 | 0 | 0 | 111 | S60 V61 H67 F68 | S60-T64 WeakPolarHBondContact O-CB 3.45Å; S60-T64 PolarHBondContact O-N 3.18Å; S60-T64 PolarHBondContact O-OG1 2.86Å; V61-T64 PolarHBondContact O-N 2.92Å; T64-H67 PolarHBondContact O-N 3.49Å; T64-F68 WeakPolarHBondContact O-CB 2.99Å; T64-F68 PolarHBondContact O-N 2.74Å |
| 65 | I | 60.7 | Low | 59.5 | Low | 45 Ų | 45 | 91.3 Ų | 91.3 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 175.4 | -64.5 | 160.6 | 0 | 0 | 0 | 111 | V61 R62 R63 H67 F68 F69 V106 | V61-I65 HydrophobicContact CG1-CD1 3.75Å; V61-I65 HydrophobicContact CG1-CG1 4.41Å; V61-I65 WeakPolarHBondContact O-CD1 3.49Å; V61-I65 WeakPolarHBondContact O-CG1 3.41Å; V61-I65 PolarHBondContact O-N 3.35Å; R62-I65 PolarHBondContact O-N 3.18Å; R63-I65 VanDerWaalsContact C-N 3.34Å; R63-I65 PolarHBondContact O-N 2.94Å; I65-H67 PolarHBondContact O-N 3.49Å; I65-F68 WeakPolarHBondContact O-CB 3.4Å; I65-F68 PolarHBondContact O-N 2.93Å; I65-F69 HydrophobicContact CG2-CD2 3.51Å; I65-F69 HydrophobicContact CG2-CE2 3.22Å; I65-F69 HydrophobicContact CG2-CZ 4.3Å; I65-F69 VanDerWaalsContact O-CD2 3.25Å; I65-F69 WeakPolarHBondContact O-CD2 3.16Å; I65-F69 PolarHBondContact O-N 2.9Å; I65-V106 HydrophobicContact CD1-CB 4.1Å; I65-V106 HydrophobicContact CD1-CG1 3.21Å; I65-V106 HydrophobicContact CD1-CG2 4.4Å; I65-V106 HydrophobicContact CG1-CG1 4.05Å; I65-V106 HydrophobicContact CG1-CG2 4.41Å |
| 66 | F | 62.1 | Low | 60 | Low | 93 Ų | 93 | 82.8 Ų | 82.8 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 178.1 | -179 | -95.4 | 0 | 0 | 0 | 111.6 | R62 R63 F68 F69 R70 V144 | R62-F66 WeakPolarHBondContact O-CB 3.46Å; R62-F66 PolarHBondContact O-N 3.44Å; R63-F66 PolarHBondContact O-N 2.77Å; F66-F68 VanDerWaalsContact C-N 3.35Å; F66-F68 PolarHBondContact O-N 2.91Å; F66-F69 PolarHBondContact O-N 3.29Å; F66-R70 VanDerWaalsContact O-CB 3.23Å; F66-R70 WeakPolarHBondContact O-CB 3.46Å; F66-R70 PolarHBondContact O-N 2.89Å; F66-V144 HydrophobicContact CD2-CG2 4.24Å |
| 67 | H | 61.9 | Low | 59.9 | Low | 106 Ų | 106 | 86.3 Ų | 86.3 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.2 | -84.9 | -71.4 | 0 | 0 | 0 | 112.3 | R63 T64 I65 R70 T71 | R63-H67 WeakPolarHBondContact O-CB 3.48Å; R63-H67 PolarHBondContact O-CD2 2.71Å; R63-H67 PolarHBondContact O-N 3.3Å; T64-H67 PolarHBondContact O-N 3.49Å; I65-H67 PolarHBondContact O-N 3.49Å; H67-R70 PolarHBondContact O-N 3.34Å; H67-T71 WeakPolarHBondContact O-CB 3.4Å; H67-T71 PolarHBondContact O-N 3.38Å; H67-T71 PolarHBondContact O-OG1 3.26Å |
| 68 | F | 64.6 | Low | 60.2 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.5 | -50.9 | 175.3 | 179.3 | -94.6 | 0 | 0 | 0 | 111.3 | T64 I65 F66 R70 T71 L72 F98 | T64-F68 WeakPolarHBondContact O-CB 2.99Å; T64-F68 PolarHBondContact O-N 2.74Å; I65-F68 WeakPolarHBondContact O-CB 3.4Å; I65-F68 PolarHBondContact O-N 2.93Å; F66-F68 VanDerWaalsContact C-N 3.35Å; F66-F68 PolarHBondContact O-N 2.91Å; F68-R70 VanDerWaalsContact C-N 3.35Å; F68-R70 PolarHBondContact O-N 3.41Å; F68-T71 PolarHBondContact O-N 3.42Å; F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 WeakPolarHBondContact O-CB 3.21Å; F68-L72 PolarHBondContact O-N 3.46Å; F68-F98 AromaticContact CZ-CE1 4Å; F68-F98 HydrophobicContact CZ-CE1 4Å |
| 69 | F | 63.7 | Low | 60.2 | Low | 45 Ų | 45 | 85.3 Ų | 85.3 | 20% | 0.197 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 178.3 | -73 | -51.6 | 0 | 0 | 0 | 113 | I65 F66 L72 A73 T99 T103 | I65-F69 HydrophobicContact CG2-CD2 3.51Å; I65-F69 HydrophobicContact CG2-CE2 3.22Å; I65-F69 HydrophobicContact CG2-CZ 4.3Å; I65-F69 VanDerWaalsContact O-CD2 3.25Å; I65-F69 WeakPolarHBondContact O-CD2 3.16Å; I65-F69 PolarHBondContact O-N 2.9Å; F66-F69 PolarHBondContact O-N 3.29Å; F69-L72 PolarHBondContact O-N 3.23Å; F69-A73 VanDerWaalsContact O-CB 3.29Å; F69-A73 WeakPolarHBondContact O-CB 3.28Å; F69-A73 PolarHBondContact O-N 3.34Å; F69-T99 HydrophobicContact CD1-CG2 3.64Å; F69-T99 HydrophobicContact CE1-CG2 3.2Å; F69-T99 HydrophobicContact CZ-CG2 4.15Å; F69-T103 WeakPolarHBondContact CZ-OG1 3.43Å |
| 70 | R | 67.6 | Low | 60 | Low | 145 Ų | 145 | 86 Ų | 86 | 55% | 0.547 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 173.7 | -178.1 | 177.3 | 177.7 | 177.1 | 0.4 | 111.1 | F66 H67 F68 L72 A73 L74 | F66-R70 VanDerWaalsContact O-CB 3.23Å; F66-R70 WeakPolarHBondContact O-CB 3.46Å; F66-R70 PolarHBondContact O-N 2.89Å; H67-R70 PolarHBondContact O-N 3.34Å; F68-R70 VanDerWaalsContact C-N 3.35Å; F68-R70 PolarHBondContact O-N 3.41Å; R70-L72 VanDerWaalsContact C-N 3.35Å; R70-A73 PolarHBondContact O-N 2.97Å; R70-L74 HydrophobicContact CG-CD1 4.25Å; R70-L74 WeakPolarHBondContact O-CB 3.35Å; R70-L74 VanDerWaalsContact O-CG 3.28Å; R70-L74 WeakPolarHBondContact O-CG 3.23Å; R70-L74 PolarHBondContact O-N 3.17Å |
| 71 | T | 63.5 | Low | 59.9 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 47% | 0.466 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.9 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | H67 F68 A73 L74 L75 | H67-T71 WeakPolarHBondContact O-CB 3.4Å; H67-T71 PolarHBondContact O-N 3.38Å; H67-T71 PolarHBondContact O-OG1 3.26Å; F68-T71 PolarHBondContact O-N 3.42Å; T71-A73 PolarHBondContact O-N 2.84Å; T71-L74 PolarHBondContact O-N 2.94Å; T71-L75 HydrophobicContact CG2-CD1 4.13Å; T71-L75 HydrophobicContact CG2-CG 4.46Å; T71-L75 WeakPolarHBondContact O-CB 3.46Å; T71-L75 WeakPolarHBondContact O-CG 3.5Å; T71-L75 PolarHBondContact O-N 2.9Å |
| 72 | L | 65.6 | Low | 59.9 | Low | 31 Ų | 31 | 91 Ų | 91 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 177.2 | -169.9 | 65.4 | 0 | 0 | 0 | 111.8 | F68 F69 R70 L74 L75 V76 I95 T99 | F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 WeakPolarHBondContact O-CB 3.21Å; F68-L72 PolarHBondContact O-N 3.46Å; F69-L72 PolarHBondContact O-N 3.23Å; R70-L72 VanDerWaalsContact C-N 3.35Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 3.37Å; L72-L75 PolarHBondContact O-N 3.41Å; L72-V76 WeakPolarHBondContact O-CB 3.36Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.17Å; L72-V76 PolarHBondContact O-N 3.01Å; L72-I95 HydrophobicContact CD1-CG2 4.03Å; L72-I95 HydrophobicContact CD2-CG2 3.97Å; L72-I95 HydrophobicContact CG-CG2 4.08Å; L72-T99 WeakPolarHBondContact CD2-OG1 3.42Å |
| 73 | A | 61.2 | Low | 59.4 | Low | 38 Ų | 38 | 91.5 Ų | 91.5 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F69 R70 T71 R77 F151 | F69-A73 VanDerWaalsContact O-CB 3.29Å; F69-A73 WeakPolarHBondContact O-CB 3.28Å; F69-A73 PolarHBondContact O-N 3.34Å; R70-A73 PolarHBondContact O-N 2.97Å; T71-A73 PolarHBondContact O-N 2.84Å; A73-R77 VanDerWaalsContact O-CB 3.3Å; A73-R77 WeakPolarHBondContact O-CB 3.41Å; A73-R77 PolarHBondContact O-N 3.3Å; A73-F151 HydrophobicContact CB-CE2 4.43Å; A73-F151 HydrophobicContact CB-CZ 4.45Å |
| 74 | L | 62.7 | Low | 58.7 | Low | 94 Ų | 94 | 86.5 Ų | 86.5 | 49% | 0.492 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 174.5 | -71.1 | 173.2 | 0 | 0 | 0 | 112 | R70 T71 L72 R77 S78 | R70-L74 HydrophobicContact CG-CD1 4.25Å; R70-L74 WeakPolarHBondContact O-CB 3.35Å; R70-L74 VanDerWaalsContact O-CG 3.28Å; R70-L74 WeakPolarHBondContact O-CG 3.23Å; R70-L74 PolarHBondContact O-N 3.17Å; T71-L74 PolarHBondContact O-N 2.94Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 3.37Å; L74-R77 PolarHBondContact O-N 3.28Å; L74-S78 WeakPolarHBondContact O-CB 3.5Å; L74-S78 PolarHBondContact O-N 2.86Å |
| 75 | L | 61.3 | Low | 58.2 | Low | 97 Ų | 97 | 87 Ų | 87 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 174.1 | -76.4 | 169.4 | 0 | 0 | 0 | 110.9 | T71 L72 R77 S78 Q79 | T71-L75 HydrophobicContact CG2-CD1 4.13Å; T71-L75 HydrophobicContact CG2-CG 4.46Å; T71-L75 WeakPolarHBondContact O-CB 3.46Å; T71-L75 WeakPolarHBondContact O-CG 3.5Å; T71-L75 PolarHBondContact O-N 2.9Å; L72-L75 PolarHBondContact O-N 3.41Å; L75-R77 VanDerWaalsContact C-N 3.31Å; L75-R77 PolarHBondContact O-N 3.44Å; L75-S78 PolarHBondContact O-N 3.46Å; L75-Q79 WeakPolarHBondContact O-CB 3.47Å; L75-Q79 VanDerWaalsContact O-CG 3.24Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 2.94Å |
| 76 | V | 58.8 | Low | 57.5 | Low | 19 Ų | 19 | 96.7 Ų | 96.7 | 12% | 0.115 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L72 Q79 L80 I95 F151 | L72-V76 WeakPolarHBondContact O-CB 3.36Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.17Å; L72-V76 PolarHBondContact O-N 3.01Å; V76-Q79 PolarHBondContact O-N 2.9Å; V76-L80 HydrophobicContact CG1-CD1 3.77Å; V76-L80 HydrophobicContact CG1-CG 4.34Å; V76-L80 WeakPolarHBondContact O-CB 3.02Å; V76-L80 VanDerWaalsContact O-CG 3.27Å; V76-L80 WeakPolarHBondContact O-CG 3.19Å; V76-L80 PolarHBondContact O-N 3.5Å; V76-I95 HydrophobicContact CG2-CD1 4.15Å; V76-I95 HydrophobicContact CG2-CG2 4.06Å; V76-F151 HydrophobicContact CG1-CE1 4.48Å |
| 77 | R | 56.3 | Low | 56.6 | Low | 165 Ų | 165 | 95.3 Ų | 95.3 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 175.6 | -176.4 | 178.7 | 177.9 | 179.1 | -0.4 | 112.6 | A73 L74 L75 Q79 L80 N81 | A73-R77 VanDerWaalsContact O-CB 3.3Å; A73-R77 WeakPolarHBondContact O-CB 3.41Å; A73-R77 PolarHBondContact O-N 3.3Å; L74-R77 PolarHBondContact O-N 3.28Å; L75-R77 VanDerWaalsContact C-N 3.31Å; L75-R77 PolarHBondContact O-N 3.44Å; R77-Q79 VanDerWaalsContact C-N 3.35Å; R77-L80 PolarHBondContact O-N 3.23Å; R77-N81 PolarHBondContact O-N 3.48Å |
| 78 | S | 58.6 | Low | 56 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 43% | 0.427 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 110.4 | L74 L75 L80 N81 D82 | L74-S78 WeakPolarHBondContact O-CB 3.5Å; L74-S78 PolarHBondContact O-N 2.86Å; L75-S78 PolarHBondContact O-N 3.46Å; S78-L80 PolarHBondContact O-N 2.85Å; S78-N81 PolarHBondContact O-N 3.39Å; S78-D82 PolarHBondContact O-N 3.22Å; S78-D82 VanDerWaalsContact O-N 3.13Å |
| 79 | Q | 52.4 | Low | 55 | Low | 118 Ų | 118 | 95.2 Ų | 95.2 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 176 | -65.6 | -71.2 | -45.3 | 0 | 0 | 110.6 | L75 V76 R77 N81 D82 I84 | L75-Q79 WeakPolarHBondContact O-CB 3.47Å; L75-Q79 VanDerWaalsContact O-CG 3.24Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 2.94Å; V76-Q79 PolarHBondContact O-N 2.9Å; R77-Q79 VanDerWaalsContact C-N 3.35Å; Q79-N81 VanDerWaalsContact C-N 3.27Å; Q79-N81 PolarHBondContact O-N 2.91Å; Q79-D82 CarbonylContact O-C 3.53Å; Q79-D82 PolarHBondContact O-N 3.41Å; Q79-D82 VanDerWaalsContact O-O 3.06Å; Q79-I84 VanDerWaalsContact C-CG1 3.45Å; Q79-I84 HydrophobicContact CB-CD1 3.95Å; Q79-I84 HydrophobicContact CB-CG1 4.42Å; Q79-I84 WeakPolarHBondContact O-CG1 3.28Å |
| 80 | L | 51.8 | Low | 54.3 | Low | 95 Ų | 95 | 97.1 Ų | 97.1 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -28.9 | 178.6 | -79 | 167.1 | 0 | 0 | 0 | 113.8 | V76 R77 S78 I84 I92 | V76-L80 HydrophobicContact CG1-CD1 3.77Å; V76-L80 HydrophobicContact CG1-CG 4.34Å; V76-L80 WeakPolarHBondContact O-CB 3.02Å; V76-L80 VanDerWaalsContact O-CG 3.27Å; V76-L80 WeakPolarHBondContact O-CG 3.19Å; V76-L80 PolarHBondContact O-N 3.5Å; R77-L80 PolarHBondContact O-N 3.23Å; S78-L80 PolarHBondContact O-N 2.85Å; L80-I84 HydrophobicContact CB-CD1 4.43Å; L80-I84 HydrophobicContact CD2-CD1 3.78Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I92 HydrophobicContact CD2-CD1 4.32Å |
| 81 | N | 55.2 | Low | 53.5 | Low | 121 Ų | 121 | 91.8 Ų | 91.8 | 65% | 0.647 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -81.1 | -28.6 | 176.8 | -83.3 | -12.6 | 0 | 0 | 0 | 112.8 | R77 S78 Q79 D83 | R77-N81 PolarHBondContact O-N 3.48Å; S78-N81 PolarHBondContact O-N 3.39Å; Q79-N81 VanDerWaalsContact C-N 3.27Å; Q79-N81 PolarHBondContact O-N 2.91Å; N81-D83 PolarHBondContact O-N 2.94Å |
| 82 | D | 55.1 | Low | 53 | Low | 114 Ų | 114 | 90.5 Ų | 90.5 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -91 | 80 | 174.1 | -68.8 | -29.7 | 0 | 0 | 0 | 108.9 | S78 Q79 I84 | S78-D82 PolarHBondContact O-N 3.22Å; S78-D82 VanDerWaalsContact O-N 3.13Å; Q79-D82 CarbonylContact O-C 3.53Å; Q79-D82 PolarHBondContact O-N 3.41Å; Q79-D82 VanDerWaalsContact O-O 3.06Å; D82-I84 PolarHBondContact O-N 2.86Å |
| 83 | D | 48.6 | Very low | 52.3 | Low | 156 Ų | 156 | 90.9 Ų | 90.9 | 83% | 0.834 | 49% | 0.493 | S | S | * | . | trans | 20.9 | 68.3 | 169.5 | -81 | -33.7 | 0 | 0 | 0 | 114.5 | N81 P85 | N81-D83 PolarHBondContact O-N 2.94Å; D83-P85 WeakPolarHBondContact O-CD 3.47Å | ||
| 84 | I | 43.6 | Very low | 52 | Low | 46 Ų | 46 | 91.3 Ų | 91.3 | 24% | 0.236 | 50% | 0.497 | C | S | . | . | trans | -62.1 | 114.7 | 172.2 | -57.6 | -169.3 | 0 | 0 | 0 | 106.3 | Q79 L80 D82 R86 H88 | Q79-I84 VanDerWaalsContact C-CG1 3.45Å; Q79-I84 HydrophobicContact CB-CD1 3.95Å; Q79-I84 HydrophobicContact CB-CG1 4.42Å; Q79-I84 WeakPolarHBondContact O-CG1 3.28Å; L80-I84 HydrophobicContact CB-CD1 4.43Å; L80-I84 HydrophobicContact CD2-CD1 3.78Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; D82-I84 PolarHBondContact O-N 2.86Å; I84-R86 PolarHBondContact O-N 2.98Å; I84-H88 HydrophobicContact CG2-CB 3.55Å | ||
| 85 | P | 46.1 | Very low | 51.5 | Low | 85 Ų | 85 | 89.2 Ų | 89.2 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | trans | -59.3 | 132.1 | 173.4 | 20.5 | -25.1 | 0 | 0 | 0 | 107 | D83 G87 H88 | D83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-G87 PolarHBondContact O-N 3.17Å; P85-H88 PolarHBondContact O-CD2 3.22Å; P85-H88 PolarHBondContact O-N 2.92Å | ||
| 86 | R | 46.1 | Very low | 51.2 | Low | 250 Ų | 250 | 86.9 Ų | 86.9 | 94% | 0.943 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 3.2 | -171.2 | -69.4 | 179.5 | 171.9 | -179.9 | -3.1 | 116 | I84 | I84-R86 PolarHBondContact O-N 2.98Š|
| 87 | G | 44.9 | Very low | 51 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117 | P85 | P85-G87 PolarHBondContact O-N 3.17Š|
| 88 | H | 48.7 | Very low | 51 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 40% | 0.398 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 18.2 | -178.5 | -71.2 | -78.2 | 0 | 0 | 0 | 115.5 | I84 P85 S90 T91 I92 | I84-H88 HydrophobicContact CG2-CB 3.55Å; P85-H88 PolarHBondContact O-CD2 3.22Å; P85-H88 PolarHBondContact O-N 2.92Å; H88-S90 PolarHBondContact O-N 3.42Å; H88-S90 VanDerWaalsContact O-N 3.09Å; H88-T91 PolarHBondContact ND1-OG1 2.83Å; H88-T91 WeakPolarHBondContact O-CA 3.24Å; H88-T91 WeakPolarHBondContact O-CB 3.25Å; H88-T91 PolarHBondContact O-N 3.35Å; H88-I92 PolarHBondContact O-N 3.47Å |
| 89 | C | 43.7 | Very low | 50.9 | Low | 93 Ų | 93 | 88.2 Ų | 88.2 | 63% | 0.628 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -54.9 | -29.3 | 173.4 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | T91 I92 S93 | C89-T91 VanDerWaalsContact C-N 3.34Å; C89-T91 PolarHBondContact O-N 2.97Å; C89-I92 PolarHBondContact O-N 3.45Å; C89-S93 WeakPolarHBondContact O-CB 3.29Å; C89-S93 PolarHBondContact O-N 3.05Å |
| 90 | S | 49.4 | Very low | 51.2 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64 | -36.3 | 172.6 | 61.9 | 0 | 0 | 0 | 0 | 112.9 | H88 A94 | H88-S90 PolarHBondContact O-N 3.42Å; H88-S90 VanDerWaalsContact O-N 3.09Å; S90-A94 VanDerWaalsContact O-CB 3.23Å; S90-A94 WeakPolarHBondContact O-CB 3.41Å; S90-A94 PolarHBondContact O-N 2.92Å |
| 91 | T | 50.7 | Low | 51.5 | Low | 32 Ų | 32 | 92.1 Ų | 92.1 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.6 | -43.8 | 177.9 | -50.7 | 0 | 0 | 0 | 0 | 111 | H88 C89 A94 I95 | H88-T91 PolarHBondContact ND1-OG1 2.83Å; H88-T91 WeakPolarHBondContact O-CA 3.24Å; H88-T91 WeakPolarHBondContact O-CB 3.25Å; H88-T91 PolarHBondContact O-N 3.35Å; C89-T91 VanDerWaalsContact C-N 3.34Å; C89-T91 PolarHBondContact O-N 2.97Å; T91-A94 PolarHBondContact O-N 3.42Å; T91-I95 HydrophobicContact CG2-CD1 4.03Å; T91-I95 WeakPolarHBondContact O-CB 2.97Å; T91-I95 VanDerWaalsContact O-CG1 3.23Å; T91-I95 WeakPolarHBondContact O-CG1 3.38Å; T91-I95 PolarHBondContact O-N 2.9Å |
| 92 | I | 51.7 | Low | 51.5 | Low | 50 Ų | 50 | 87.6 Ų | 87.6 | 26% | 0.256 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.6 | -62.3 | 176.2 | 0 | 0 | 0 | 110 | L80 H88 C89 A94 I95 Q96 | L80-I92 HydrophobicContact CD2-CD1 4.32Å; H88-I92 PolarHBondContact O-N 3.47Å; C89-I92 PolarHBondContact O-N 3.45Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.45Å; I92-I95 PolarHBondContact O-N 3.49Å; I92-Q96 WeakPolarHBondContact O-CG 3.29Å; I92-Q96 PolarHBondContact O-N 3.46Å |
| 93 | S | 52.4 | Low | 51.5 | Low | 38 Ų | 38 | 83.1 Ų | 83.1 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 176.1 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | C89 Q96 R97 | C89-S93 WeakPolarHBondContact O-CB 3.29Å; C89-S93 PolarHBondContact O-N 3.05Å; S93-Q96 PolarHBondContact O-N 2.67Å; S93-R97 VanDerWaalsContact O-CG 3.32Å; S93-R97 WeakPolarHBondContact O-CG 3.36Å; S93-R97 PolarHBondContact O-N 3.33Å |
| 94 | A | 53 | Low | 52 | Low | 48 Ų | 48 | 78.5 Ų | 78.5 | 40% | 0.397 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | S90 T91 I92 Q96 R97 F98 | S90-A94 VanDerWaalsContact O-CB 3.23Å; S90-A94 WeakPolarHBondContact O-CB 3.41Å; S90-A94 PolarHBondContact O-N 2.92Å; T91-A94 PolarHBondContact O-N 3.42Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.45Å; A94-Q96 VanDerWaalsContact C-N 3.34Å; A94-Q96 PolarHBondContact O-N 2.91Å; A94-R97 PolarHBondContact O-N 3Å; A94-F98 WeakPolarHBondContact O-CB 3.25Å; A94-F98 PolarHBondContact O-N 3.38Å |
| 95 | I | 53.4 | Low | 52.6 | Low | 49 Ų | 49 | 81.6 Ų | 81.6 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.2 | -68.9 | 166.4 | 0 | 0 | 0 | 110.3 | L72 V76 T91 I92 F98 T99 | L72-I95 HydrophobicContact CD1-CG2 4.03Å; L72-I95 HydrophobicContact CD2-CG2 3.97Å; L72-I95 HydrophobicContact CG-CG2 4.08Å; V76-I95 HydrophobicContact CG2-CD1 4.15Å; V76-I95 HydrophobicContact CG2-CG2 4.06Å; T91-I95 HydrophobicContact CG2-CD1 4.03Å; T91-I95 WeakPolarHBondContact O-CB 2.97Å; T91-I95 VanDerWaalsContact O-CG1 3.23Å; T91-I95 WeakPolarHBondContact O-CG1 3.38Å; T91-I95 PolarHBondContact O-N 2.9Å; I92-I95 PolarHBondContact O-N 3.49Å; I95-F98 PolarHBondContact O-N 2.88Å; I95-T99 VanDerWaalsContact O-CB 3.27Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 PolarHBondContact O-N 3.34Å; I95-T99 PolarHBondContact O-OG1 2.88Å |
| 96 | Q | 54.7 | Low | 52.9 | Low | 48 Ų | 48 | 79.2 Ų | 79.2 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 175.5 | -74.4 | 176.1 | -27.7 | 0 | 0 | 112.3 | I92 S93 A94 F98 T99 L100 C155 | I92-Q96 WeakPolarHBondContact O-CG 3.29Å; I92-Q96 PolarHBondContact O-N 3.46Å; S93-Q96 PolarHBondContact O-N 2.67Å; A94-Q96 VanDerWaalsContact C-N 3.34Å; A94-Q96 PolarHBondContact O-N 2.91Å; Q96-F98 VanDerWaalsContact C-N 3.31Å; Q96-F98 PolarHBondContact O-N 3.41Å; Q96-T99 WeakPolarHBondContact O-CB 3.33Å; Q96-T99 PolarHBondContact O-N 2.9Å; Q96-L100 WeakPolarHBondContact O-CB 3.3Å; Q96-L100 WeakPolarHBondContact O-CG 3.29Å; Q96-L100 PolarHBondContact O-N 3.19Å; Q96-C155 PolarHBondContact NE2-SG 2.96Å |
| 97 | R | 54.5 | Low | 53.4 | Low | 163 Ų | 163 | 73.4 Ų | 73.4 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 178.1 | -71.5 | 175.6 | -171.2 | -172.4 | 2.2 | 111.5 | S93 A94 R101 | S93-R97 VanDerWaalsContact O-CG 3.32Å; S93-R97 WeakPolarHBondContact O-CG 3.36Å; S93-R97 PolarHBondContact O-N 3.33Å; A94-R97 PolarHBondContact O-N 3Å; R97-R101 WeakPolarHBondContact O-CB 3.22Å; R97-R101 VanDerWaalsContact O-CG 3.23Å; R97-R101 WeakPolarHBondContact O-CG 3.49Å; R97-R101 PolarHBondContact O-N 2.85Å |
| 98 | F | 55.9 | Low | 54 | Low | 90 Ų | 90 | 78.5 Ų | 78.5 | 40% | 0.395 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175.6 | -177 | -95.9 | 0 | 0 | 0 | 111.3 | F68 A94 I95 Q96 R101 S102 | F68-F98 AromaticContact CZ-CE1 4Å; F68-F98 HydrophobicContact CZ-CE1 4Å; A94-F98 WeakPolarHBondContact O-CB 3.25Å; A94-F98 PolarHBondContact O-N 3.38Å; I95-F98 PolarHBondContact O-N 2.88Å; Q96-F98 VanDerWaalsContact C-N 3.31Å; Q96-F98 PolarHBondContact O-N 3.41Å; F98-R101 PolarHBondContact O-N 2.87Å; F98-S102 WeakPolarHBondContact O-CB 3.47Å; F98-S102 PolarHBondContact O-N 2.88Å; F98-S102 PolarHBondContact O-OG 3.49Å |
| 99 | T | 57.8 | Low | 54.2 | Low | 20 Ų | 20 | 79.1 Ų | 79.1 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.2 | -52 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | F69 L72 I95 Q96 R101 S102 T103 | F69-T99 HydrophobicContact CD1-CG2 3.64Å; F69-T99 HydrophobicContact CE1-CG2 3.2Å; F69-T99 HydrophobicContact CZ-CG2 4.15Å; L72-T99 WeakPolarHBondContact CD2-OG1 3.42Å; I95-T99 VanDerWaalsContact O-CB 3.27Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 PolarHBondContact O-N 3.34Å; I95-T99 PolarHBondContact O-OG1 2.88Å; Q96-T99 WeakPolarHBondContact O-CB 3.33Å; Q96-T99 PolarHBondContact O-N 2.9Å; T99-R101 PolarHBondContact O-N 3.31Å; T99-S102 PolarHBondContact O-N 3.25Å; T99-T103 WeakPolarHBondContact O-CB 3.33Å; T99-T103 PolarHBondContact O-N 2.83Å; T99-T103 PolarHBondContact O-OG1 2.89Å |
| 100 | L | 58.2 | Low | 54.6 | Low | 104 Ų | 104 | 76.7 Ų | 76.7 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 179.6 | -73.5 | 171.3 | 0 | 0 | 0 | 111.9 | Q96 T103 A104 | Q96-L100 WeakPolarHBondContact O-CB 3.3Å; Q96-L100 WeakPolarHBondContact O-CG 3.29Å; Q96-L100 PolarHBondContact O-N 3.19Å; L100-T103 PolarHBondContact O-N 3.49Å; L100-A104 WeakPolarHBondContact O-CB 3.48Å; L100-A104 PolarHBondContact O-N 2.7Å |
| 101 | R | 58.1 | Low | 54.8 | Low | 191 Ų | 191 | 80 Ų | 80 | 72% | 0.721 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 177.9 | -75.4 | 177 | 178.8 | -170.8 | -0.3 | 112.2 | R97 F98 T99 A104 F105 | R97-R101 WeakPolarHBondContact O-CB 3.22Å; R97-R101 VanDerWaalsContact O-CG 3.23Å; R97-R101 WeakPolarHBondContact O-CG 3.49Å; R97-R101 PolarHBondContact O-N 2.85Å; F98-R101 PolarHBondContact O-N 2.87Å; T99-R101 PolarHBondContact O-N 3.31Å; R101-A104 PolarHBondContact O-N 3.49Å; R101-F105 WeakPolarHBondContact O-CB 3.42Å; R101-F105 PolarHBondContact O-N 3.15Å |
| 102 | S | 54.2 | Low | 54.8 | Low | 27 Ų | 27 | 82.3 Ų | 82.3 | 19% | 0.189 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | F98 T99 F105 V106 | F98-S102 WeakPolarHBondContact O-CB 3.47Å; F98-S102 PolarHBondContact O-N 2.88Å; F98-S102 PolarHBondContact O-OG 3.49Å; T99-S102 PolarHBondContact O-N 3.25Å; S102-F105 PolarHBondContact O-N 3.45Å; S102-V106 WeakPolarHBondContact O-CG2 3.45Å; S102-V106 PolarHBondContact O-N 3.37Å |
| 103 | T | 56.4 | Low | 54.6 | Low | 20 Ų | 20 | 84.1 Ų | 84.1 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -51.2 | 174.2 | -52.2 | 0 | 0 | 0 | 0 | 111 | F69 T99 L100 F105 V106 F107 | F69-T103 WeakPolarHBondContact CZ-OG1 3.43Å; T99-T103 WeakPolarHBondContact O-CB 3.33Å; T99-T103 PolarHBondContact O-N 2.83Å; T99-T103 PolarHBondContact O-OG1 2.89Å; L100-T103 PolarHBondContact O-N 3.49Å; T103-F105 VanDerWaalsContact C-N 3.31Å; T103-F105 PolarHBondContact O-N 2.88Å; T103-V106 PolarHBondContact O-N 3.41Å; T103-F107 HydrophobicContact CG2-CD2 3.56Å; T103-F107 HydrophobicContact CG2-CE2 3.37Å; T103-F107 WeakPolarHBondContact O-CD2 3.34Å; T103-F107 PolarHBondContact O-N 2.98Å |
| 104 | A | 58.7 | Low | 54.3 | Low | 59 Ų | 59 | 88.8 Ų | 88.8 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L100 R101 R108 | L100-A104 WeakPolarHBondContact O-CB 3.48Å; L100-A104 PolarHBondContact O-N 2.7Å; R101-A104 PolarHBondContact O-N 3.49Å; A104-R108 VanDerWaalsContact O-CB 3.29Å; A104-R108 WeakPolarHBondContact O-CB 3.38Å; A104-R108 PolarHBondContact O-N 3.42Å |
| 105 | F | 54.9 | Low | 54 | Low | 111 Ų | 111 | 90.8 Ų | 90.8 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.1 | 179 | -97.9 | 0 | 0 | 0 | 111.7 | R101 S102 T103 R108 Q109 | R101-F105 WeakPolarHBondContact O-CB 3.42Å; R101-F105 PolarHBondContact O-N 3.15Å; S102-F105 PolarHBondContact O-N 3.45Å; T103-F105 VanDerWaalsContact C-N 3.31Å; T103-F105 PolarHBondContact O-N 2.88Å; F105-R108 PolarHBondContact O-N 3Å; F105-Q109 VanDerWaalsContact CE1-CD 3.47Å; F105-Q109 HydrophobicContact CE1-CG 4.17Å; F105-Q109 HydrophobicContact CZ-CG 4.28Å; F105-Q109 PolarHBondContact O-N 3.43Å |
| 106 | V | 52.4 | Low | 53.8 | Low | 35 Ų | 35 | 92.9 Ų | 92.9 | 21% | 0.212 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | V61 I65 S102 T103 R108 Q109 A110 | V61-V106 HydrophobicContact CG1-CG1 4.08Å; I65-V106 HydrophobicContact CD1-CB 4.1Å; I65-V106 HydrophobicContact CD1-CG1 3.21Å; I65-V106 HydrophobicContact CD1-CG2 4.4Å; I65-V106 HydrophobicContact CG1-CG1 4.05Å; I65-V106 HydrophobicContact CG1-CG2 4.41Å; S102-V106 WeakPolarHBondContact O-CG2 3.45Å; S102-V106 PolarHBondContact O-N 3.37Å; T103-V106 PolarHBondContact O-N 3.41Å; V106-R108 VanDerWaalsContact C-N 3.28Å; V106-R108 PolarHBondContact O-N 3.36Å; V106-Q109 PolarHBondContact O-N 3.33Å; V106-A110 PolarHBondContact O-N 3.26Å |
| 107 | F | 56.8 | Low | 53.2 | Low | 128 Ų | 128 | 95.8 Ų | 95.8 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63 | -36.7 | 173.7 | -82.2 | -67.4 | 0 | 0 | 0 | 112.4 | T103 A110 R111 | T103-F107 HydrophobicContact CG2-CD2 3.56Å; T103-F107 HydrophobicContact CG2-CE2 3.37Å; T103-F107 WeakPolarHBondContact O-CD2 3.34Å; T103-F107 PolarHBondContact O-N 2.98Å; F107-A110 PolarHBondContact O-N 2.86Å; F107-R111 WeakPolarHBondContact O-CB 3.35Å; F107-R111 PolarHBondContact O-N 3.47Å |
| 108 | R | 58.4 | Low | 52.7 | Low | 171 Ų | 171 | 92.8 Ų | 92.8 | 65% | 0.645 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 173.7 | -175.1 | 176.7 | 176.5 | 172.4 | 1.8 | 111.5 | A104 F105 V106 A110 R111 D112 | A104-R108 VanDerWaalsContact O-CB 3.29Å; A104-R108 WeakPolarHBondContact O-CB 3.38Å; A104-R108 PolarHBondContact O-N 3.42Å; F105-R108 PolarHBondContact O-N 3Å; V106-R108 VanDerWaalsContact C-N 3.28Å; V106-R108 PolarHBondContact O-N 3.36Å; R108-A110 VanDerWaalsContact C-N 3.34Å; R108-A110 PolarHBondContact O-N 2.98Å; R108-R111 PolarHBondContact O-N 3.36Å; R108-D112 IonicContact NE-OD2 3.89Å; R108-D112 VanDerWaalsContact O-CG 3.3Å; R108-D112 PolarHBondContact O-N 2.85Å |
| 109 | Q | 52.6 | Low | 51.8 | Low | 98 Ų | 98 | 93.9 Ų | 93.9 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.2 | -75.9 | -169.3 | -20.1 | 0 | 0 | 112.3 | F105 V106 R111 D112 D113 | F105-Q109 VanDerWaalsContact CE1-CD 3.47Å; F105-Q109 HydrophobicContact CE1-CG 4.17Å; F105-Q109 HydrophobicContact CZ-CG 4.28Å; F105-Q109 PolarHBondContact O-N 3.43Å; V106-Q109 PolarHBondContact O-N 3.33Å; Q109-R111 VanDerWaalsContact C-N 3.27Å; Q109-R111 PolarHBondContact O-N 3.43Å; Q109-D112 PolarHBondContact O-N 3.38Å; Q109-D113 PolarHBondContact O-N 3.02Å |
| 110 | A | 52.4 | Low | 50.9 | Low | 43 Ų | 43 | 98.4 Ų | 98.4 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V106 F107 R108 E114 | V106-A110 PolarHBondContact O-N 3.26Å; F107-A110 PolarHBondContact O-N 2.86Å; R108-A110 VanDerWaalsContact C-N 3.34Å; R108-A110 PolarHBondContact O-N 2.98Å; A110-E114 PolarHBondContact O-N 3.28Å |
| 111 | R | 52.5 | Low | 49.9 | Very low | 155 Ų | 155 | 98.2 Ų | 98.2 | 59% | 0.585 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.1 | -41.7 | 176.5 | -175.1 | -179.9 | 176.4 | 177.7 | -0.4 | 112.8 | F107 R108 Q109 D113 E114 S115 | F107-R111 WeakPolarHBondContact O-CB 3.35Å; F107-R111 PolarHBondContact O-N 3.47Å; R108-R111 PolarHBondContact O-N 3.36Å; Q109-R111 VanDerWaalsContact C-N 3.27Å; Q109-R111 PolarHBondContact O-N 3.43Å; R111-D113 VanDerWaalsContact C-N 3.29Å; R111-D113 PolarHBondContact O-N 2.68Å; R111-E114 PolarHBondContact O-N 3.4Å; R111-S115 WeakPolarHBondContact O-CB 3.33Å; R111-S115 PolarHBondContact O-N 2.84Å |
| 112 | D | 50.8 | Low | 48.7 | Very low | 80 Ų | 80 | 94.2 Ų | 94.2 | 43% | 0.428 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 179.1 | -69.6 | -17.9 | 0 | 0 | 0 | 110.1 | R108 Q109 S115 S116 | R108-D112 IonicContact NE-OD2 3.89Å; R108-D112 VanDerWaalsContact O-CG 3.3Å; R108-D112 PolarHBondContact O-N 2.85Å; Q109-D112 PolarHBondContact O-N 3.38Å; D112-S115 WeakPolarHBondContact CA-OG 3.11Å; D112-S115 PolarHBondContact O-N 3.49Å; D112-S115 PolarHBondContact O-OG 2.82Å; D112-S116 PolarHBondContact O-N 3.42Å |
| 113 | D | 48.4 | Very low | 48 | Very low | 89 Ų | 89 | 101.9 Ų | 101.9 | 48% | 0.476 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.6 | -42.7 | 172.5 | -78.6 | -12.1 | 0 | 0 | 0 | 112.2 | Q109 R111 S115 S116 | Q109-D113 PolarHBondContact O-N 3.02Å; R111-D113 VanDerWaalsContact C-N 3.29Å; R111-D113 PolarHBondContact O-N 2.68Å; D113-S115 VanDerWaalsContact C-N 3.35Å; D113-S115 PolarHBondContact O-N 3.23Å; D113-S116 PolarHBondContact O-N 2.89Å; D113-S116 PolarHBondContact O-OG 3.31Å |
| 114 | E | 46.5 | Very low | 47 | Very low | 135 Ų | 135 | 109 Ų | 109 | 63% | 0.631 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.4 | -35.6 | 173.9 | -82.5 | -174 | 167.1 | 0 | 0 | 112.7 | A110 R111 S116 V117 | A110-E114 PolarHBondContact O-N 3.28Å; R111-E114 PolarHBondContact O-N 3.4Å; E114-S116 PolarHBondContact O-N 3.01Å; E114-V117 PolarHBondContact O-N 3.34Å; E114-V117 VanDerWaalsContact O-N 3.15Å |
| 115 | S | 46.8 | Very low | 46 | Very low | 91 Ų | 91 | 109.4 Ų | 109.4 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.9 | -18.1 | 179.6 | 75 | 0 | 0 | 0 | 0 | 113.9 | R111 D112 D113 | R111-S115 WeakPolarHBondContact O-CB 3.33Å; R111-S115 PolarHBondContact O-N 2.84Å; D112-S115 WeakPolarHBondContact CA-OG 3.11Å; D112-S115 PolarHBondContact O-N 3.49Å; D112-S115 PolarHBondContact O-OG 2.82Å; D113-S115 VanDerWaalsContact C-N 3.35Å; D113-S115 PolarHBondContact O-N 3.23Å |
| 116 | S | 48.3 | Very low | 45.1 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -9.2 | 175.2 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | D112 D113 E114 S118 | D112-S116 PolarHBondContact O-N 3.42Å; D113-S116 PolarHBondContact O-N 2.89Å; D113-S116 PolarHBondContact O-OG 3.31Å; E114-S116 PolarHBondContact O-N 3.01Å; S116-S118 PolarHBondContact O-N 3.35Å |
| 117 | V | 41.9 | Very low | 44 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -92.9 | 99.4 | 172.6 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | E114 S119 | E114-V117 PolarHBondContact O-N 3.34Å; E114-V117 VanDerWaalsContact O-N 3.15Å; V117-S119 PolarHBondContact O-N 3.43Å |
| 118 | S | 43.6 | Very low | 42.8 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | trans | -51.2 | 122 | -177.7 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | S116 | S116-S118 PolarHBondContact O-N 3.35Š| ||
| 119 | S | 38.3 | Very low | 41.4 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | 51.9 | 78.5 | 137.3 | 67.3 | 0 | 0 | 0 | 0 | 118.4 | V117 | V117-S119 PolarHBondContact O-N 3.43Š| ||
| 120 | S | 38.6 | Very low | 40.2 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -163.9 | 131.7 | 136.4 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 121 | S | 37.1 | Very low | 39.2 | Very low | 100 Ų | 100 | 119 Ų | 119 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | 69.4 | 87.1 | 177.4 | -171.2 | 0 | 0 | 0 | 0 | 116 | K123 | S121-K123 PolarHBondContact O-N 3.13Š| ||
| 122 | A | 32.4 | Very low | 38.4 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 88% | 0.884 | 70% | 0.699 | S | S | * | * | trans | -46 | 108.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 123 | K | 40.3 | Very low | 37.6 | Very low | 187 Ų | 187 | 120.7 Ų | 120.7 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | -114.2 | 122.1 | 158.1 | -80.5 | -176.2 | 176.2 | -179.9 | 0 | 106.7 | S121 | S121-K123 PolarHBondContact O-N 3.13Š| ||
| 124 | E | 35.9 | Very low | 36.9 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -56.1 | 145.2 | -174.3 | -65.7 | 174.1 | 142.9 | 0 | 0 | 111.3 | F126 | E124-F126 PolarHBondContact O-N 3.33Å; E124-F126 VanDerWaalsContact O-N 3.14Å | ||
| 125 | P | 37.5 | Very low | 36.4 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 44% | 0.435 | 73% | 0.733 | S | S | . | * | trans | -61.6 | 119.7 | 173.5 | 25.9 | -31.9 | 0 | 0 | 0 | 108.6 | F127 | P125-F127 WeakPolarHBondContact O-CD2 3.27Å; P125-F127 PolarHBondContact O-N 2.9Å | ||
| 126 | F | 35 | Very low | 35.8 | Very low | 197 Ų | 197 | 122.4 Ų | 122.4 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -50.7 | 105.8 | 177.1 | -90.6 | -98.3 | 0 | 0 | 0 | 110.6 | E124 I128 | E124-F126 PolarHBondContact O-N 3.33Å; E124-F126 VanDerWaalsContact O-N 3.14Å; F126-I128 PolarHBondContact O-N 3.44Å | ||
| 127 | F | 29.7 | Very low | 35.5 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -69.9 | 102.7 | 160.3 | -77.9 | -90.9 | 0 | 0 | 0 | 107 | P125 V129 | P125-F127 WeakPolarHBondContact O-CD2 3.27Å; P125-F127 PolarHBondContact O-N 2.9Å; F127-V129 PolarHBondContact O-N 3.47Å | ||
| 128 | I | 32.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 54% | 0.538 | 75% | 0.753 | S | S | . | * | trans | -77.6 | 75.3 | 170.6 | -57.4 | -179.6 | 0 | 0 | 0 | 107.3 | F126 H145 | F126-I128 PolarHBondContact O-N 3.44Å; I128-H145 WeakPolarHBondContact CG2-NE2 3.24Å | ||
| 129 | V | 29.5 | Very low | 35 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -139.4 | 105.2 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 107 | F127 | F127-V129 PolarHBondContact O-N 3.47Š| ||
| 130 | G | 26.5 | Very low | 35 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | 74.2 | 102.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 131 | S | 32.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | -171.7 | 105.3 | 135.2 | 34.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 132 | V | 34.6 | Very low | 35 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | 50.6 | 109.1 | 85.5 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 133 | D | 33.3 | Very low | 35.2 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 68% | 0.684 | 68% | 0.684 | S | S | * | * | trans | -56.3 | 120.4 | -171.1 | -141.4 | -21.7 | 0 | 0 | 0 | 112.5 | ||||
| 134 | D | 35.2 | Very low | 35.2 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | trans | -119.7 | 62.8 | 164.8 | -99.4 | -20.2 | 0 | 0 | 0 | 109.7 | T136 | D134-T136 VanDerWaalsContact C-N 3.34Å; D134-T136 PolarHBondContact O-N 3.23Å; D134-T136 PolarHBondContact O-OG1 3.29Å | ||
| 135 | G | 34.9 | Very low | 35.6 | Very low | 71 Ų | 71 | 114.5 Ų | 114.5 | 73% | 0.732 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 64.3 | 5.3 | 139.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||
| 136 | T | 35 | Very low | 35.6 | Very low | 126 Ų | 126 | 117 Ų | 117 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -145.5 | 123.2 | -177.1 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | D134 | D134-T136 VanDerWaalsContact C-N 3.34Å; D134-T136 PolarHBondContact O-N 3.23Å; D134-T136 PolarHBondContact O-OG1 3.29Å |
| 137 | K | 41 | Very low | 35.8 | Very low | 192 Ų | 192 | 111 Ų | 111 | 84% | 0.835 | 63% | 0.627 | S | S | * | * | trans | 58.3 | 98 | 173.7 | -63.3 | -177.1 | -178.5 | 178.8 | 0 | 115.7 | T139 | K137-T139 PolarHBondContact O-N 2.89Š| ||
| 138 | Q | 34 | Very low | 36.5 | Very low | 160 Ų | 160 | 105.7 Ų | 105.7 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | trans | -60 | 97.2 | 166.4 | -69.8 | -179.1 | 4 | 0 | 0 | 110.1 | ||||
| 139 | T | 41.3 | Very low | 36.8 | Very low | 80 Ų | 80 | 107.2 Ų | 107.2 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | trans | -81.1 | 148.3 | 165.3 | 51.3 | 0 | 0 | 0 | 0 | 108.9 | K137 E141 S142 | K137-T139 PolarHBondContact O-N 2.89Å; T139-E141 PolarHBondContact O-N 3.41Å; T139-S142 WeakPolarHBondContact O-CB 3.35Å; T139-S142 PolarHBondContact O-N 3.11Å; T139-S142 PolarHBondContact O-OG 3.38Å | ||
| 140 | D | 39.6 | Very low | 37.1 | Very low | 135 Ų | 135 | 105.7 Ų | 105.7 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -53.7 | -20.2 | 179.8 | -69.5 | -47.4 | 0 | 0 | 0 | 113.4 | S142 A143 V144 | D140-S142 VanDerWaalsContact C-N 3.3Å; D140-S142 PolarHBondContact O-N 2.94Å; D140-A143 PolarHBondContact O-N 2.98Å; D140-V144 PolarHBondContact O-N 3.41Å |
| 141 | E | 40 | Very low | 37.6 | Very low | 133 Ų | 133 | 106.6 Ų | 106.6 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.7 | -36.6 | 172.5 | -63.8 | 178.3 | 168.7 | 0 | 0 | 112.1 | T139 A143 V144 H145 | T139-E141 PolarHBondContact O-N 3.41Å; E141-A143 VanDerWaalsContact C-N 3.3Å; E141-A143 PolarHBondContact O-N 2.89Å; E141-V144 PolarHBondContact O-N 3.49Å; E141-H145 WeakPolarHBondContact O-CB 2.96Å; E141-H145 PolarHBondContact O-N 2.99Å |
| 142 | S | 35.5 | Very low | 37.7 | Very low | 37 Ų | 37 | 104.6 Ų | 104.6 | 26% | 0.259 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.1 | -30.3 | 175.5 | 72.6 | 0 | 0 | 0 | 0 | 112.9 | T139 D140 R146 | T139-S142 WeakPolarHBondContact O-CB 3.35Å; T139-S142 PolarHBondContact O-N 3.11Å; T139-S142 PolarHBondContact O-OG 3.38Å; D140-S142 VanDerWaalsContact C-N 3.3Å; D140-S142 PolarHBondContact O-N 2.94Å; S142-R146 VanDerWaalsContact O-CB 3.32Å; S142-R146 WeakPolarHBondContact O-CB 3.27Å; S142-R146 WeakPolarHBondContact O-CG 3.23Å; S142-R146 PolarHBondContact O-N 3.37Å |
| 143 | A | 35.9 | Very low | 37.7 | Very low | 41 Ų | 41 | 103.5 Ų | 103.5 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.5 | -41.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D140 E141 H145 R146 C147 | D140-A143 PolarHBondContact O-N 2.98Å; E141-A143 VanDerWaalsContact C-N 3.3Å; E141-A143 PolarHBondContact O-N 2.89Å; A143-H145 VanDerWaalsContact C-N 3.31Å; A143-R146 PolarHBondContact O-N 2.88Å; A143-C147 WeakPolarHBondContact O-CB 3.23Å; A143-C147 PolarHBondContact O-N 3.28Å; A143-C147 PolarHBondContact O-SG 3.23Å; A143-C147 VanDerWaalsContact O-SG 3.41Å |
| 144 | V | 41.4 | Very low | 37.8 | Very low | 58 Ų | 58 | 102.7 Ų | 102.7 | 35% | 0.352 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | F66 D140 E141 C147 L148 | F66-V144 HydrophobicContact CD2-CG2 4.24Å; D140-V144 PolarHBondContact O-N 3.41Å; E141-V144 PolarHBondContact O-N 3.49Å; V144-C147 PolarHBondContact O-N 3.49Å; V144-L148 HydrophobicContact CG1-CD1 3.97Å; V144-L148 WeakPolarHBondContact O-CB 3.34Å; V144-L148 WeakPolarHBondContact O-CG 3.5Å; V144-L148 PolarHBondContact O-N 2.9Å |
| 145 | H | 42.6 | Very low | 37.7 | Very low | 93 Ų | 93 | 97.2 Ų | 97.2 | 43% | 0.431 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 176.3 | -142.1 | -79.9 | 0 | 0 | 0 | 112.2 | I128 E141 A143 F149 | I128-H145 WeakPolarHBondContact CG2-NE2 3.24Å; E141-H145 WeakPolarHBondContact O-CB 2.96Å; E141-H145 PolarHBondContact O-N 2.99Å; A143-H145 VanDerWaalsContact C-N 3.31Å; H145-F149 WeakPolarHBondContact O-CB 3.34Å; H145-F149 PolarHBondContact O-N 3.2Å |
| 146 | R | 38.9 | Very low | 37.7 | Very low | 119 Ų | 119 | 100 Ų | 100 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 173.9 | -78.3 | 171.7 | 179.9 | 177.2 | 1 | 111.8 | S142 A143 F149 I150 | S142-R146 VanDerWaalsContact O-CB 3.32Å; S142-R146 WeakPolarHBondContact O-CB 3.27Å; S142-R146 WeakPolarHBondContact O-CG 3.23Å; S142-R146 PolarHBondContact O-N 3.37Å; A143-R146 PolarHBondContact O-N 2.88Å; R146-F149 PolarHBondContact O-N 3.22Å; R146-I150 WeakPolarHBondContact O-CB 3.32Å; R146-I150 WeakPolarHBondContact O-CD1 3.46Å; R146-I150 WeakPolarHBondContact O-CG1 3.45Å; R146-I150 PolarHBondContact O-N 2.78Å |
| 147 | C | 38.5 | Very low | 37.7 | Very low | 72 Ų | 72 | 98.8 Ų | 98.8 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 176.7 | -76.5 | 0 | 0 | 0 | 0 | 111.5 | A143 V144 F149 I150 F151 | A143-C147 WeakPolarHBondContact O-CB 3.23Å; A143-C147 PolarHBondContact O-N 3.28Å; A143-C147 PolarHBondContact O-SG 3.23Å; A143-C147 VanDerWaalsContact O-SG 3.41Å; V144-C147 PolarHBondContact O-N 3.49Å; C147-F149 VanDerWaalsContact C-N 3.35Å; C147-F149 PolarHBondContact O-N 3.38Å; C147-I150 PolarHBondContact O-N 2.86Å; C147-F151 VanDerWaalsContact O-CD2 3.24Å; C147-F151 WeakPolarHBondContact O-CD2 3.39Å; C147-F151 PolarHBondContact O-N 2.88Å |
| 148 | L | 44.4 | Very low | 37.5 | Very low | 69 Ų | 69 | 94 Ų | 94 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 177.6 | -73.6 | 167.7 | 0 | 0 | 0 | 112.1 | V144 F151 S152 | V144-L148 HydrophobicContact CG1-CD1 3.97Å; V144-L148 WeakPolarHBondContact O-CB 3.34Å; V144-L148 WeakPolarHBondContact O-CG 3.5Å; V144-L148 PolarHBondContact O-N 2.9Å; L148-F151 PolarHBondContact O-N 2.86Å; L148-S152 WeakPolarHBondContact O-CB 3.48Å; L148-S152 PolarHBondContact O-N 3.4Å; L148-S152 PolarHBondContact O-OG 2.91Å |
| 149 | F | 38 | Very low | 37.5 | Very low | 137 Ų | 137 | 92.4 Ų | 92.4 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 177.6 | -169.1 | -92.3 | 0 | 0 | 0 | 112.4 | H145 R146 C147 F151 S152 F153 | H145-F149 WeakPolarHBondContact O-CB 3.34Å; H145-F149 PolarHBondContact O-N 3.2Å; R146-F149 PolarHBondContact O-N 3.22Å; C147-F149 VanDerWaalsContact C-N 3.35Å; C147-F149 PolarHBondContact O-N 3.38Å; F149-F151 VanDerWaalsContact C-N 3.35Å; F149-F151 PolarHBondContact O-N 3.34Å; F149-S152 PolarHBondContact O-N 2.92Å; F149-F153 VanDerWaalsContact O-CB 3.28Å; F149-F153 WeakPolarHBondContact O-CB 3.45Å; F149-F153 PolarHBondContact O-N 3.26Å |
| 150 | I | 36.1 | Very low | 37.1 | Very low | 95 Ų | 95 | 96.2 Ų | 96.2 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 177.2 | -69.8 | 164.8 | 0 | 0 | 0 | 110.5 | R146 C147 F153 L154 | R146-I150 WeakPolarHBondContact O-CB 3.32Å; R146-I150 WeakPolarHBondContact O-CD1 3.46Å; R146-I150 WeakPolarHBondContact O-CG1 3.45Å; R146-I150 PolarHBondContact O-N 2.78Å; C147-I150 PolarHBondContact O-N 2.86Å; I150-F153 PolarHBondContact O-N 2.63Å; I150-L154 HydrophobicContact CG2-CD1 3.89Å; I150-L154 HydrophobicContact CG2-CG 4.45Å; I150-L154 WeakPolarHBondContact O-CB 2.92Å; I150-L154 VanDerWaalsContact O-CG 3.25Å; I150-L154 WeakPolarHBondContact O-CG 3.06Å; I150-L154 PolarHBondContact O-N 3.49Å |
| 151 | F | 36.9 | Very low | 36.8 | Very low | 83 Ų | 83 | 94.4 Ų | 94.4 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 177.4 | -86.8 | -72.9 | 0 | 0 | 0 | 113.1 | A73 V76 C147 L148 F149 C155 | A73-F151 HydrophobicContact CB-CE2 4.43Å; A73-F151 HydrophobicContact CB-CZ 4.45Å; V76-F151 HydrophobicContact CG1-CE1 4.48Å; C147-F151 VanDerWaalsContact O-CD2 3.24Å; C147-F151 WeakPolarHBondContact O-CD2 3.39Å; C147-F151 PolarHBondContact O-N 2.88Å; L148-F151 PolarHBondContact O-N 2.86Å; F149-F151 VanDerWaalsContact C-N 3.35Å; F149-F151 PolarHBondContact O-N 3.34Å; F151-C155 PolarHBondContact O-N 2.85Å |
| 152 | S | 34.8 | Very low | 36.2 | Very low | 70 Ų | 70 | 93.5 Ų | 93.5 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -37.6 | 173.2 | -78.9 | 0 | 0 | 0 | 0 | 112.7 | L148 F149 C155 N156 | L148-S152 WeakPolarHBondContact O-CB 3.48Å; L148-S152 PolarHBondContact O-N 3.4Å; L148-S152 PolarHBondContact O-OG 2.91Å; F149-S152 PolarHBondContact O-N 2.92Å; S152-C155 PolarHBondContact O-N 3.09Å; S152-N156 WeakPolarHBondContact O-CB 3.49Å; S152-N156 PolarHBondContact O-N 3.46Å |
| 153 | F | 34.4 | Very low | 35.8 | Very low | 120 Ų | 120 | 99.3 Ų | 99.3 | 53% | 0.526 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 177.5 | -172.5 | -93.5 | 0 | 0 | 0 | 112.3 | F149 I150 C155 N156 N157 | F149-F153 VanDerWaalsContact O-CB 3.28Å; F149-F153 WeakPolarHBondContact O-CB 3.45Å; F149-F153 PolarHBondContact O-N 3.26Å; I150-F153 PolarHBondContact O-N 2.63Å; F153-C155 PolarHBondContact O-N 3.19Å; F153-N156 PolarHBondContact O-N 3.37Å; F153-N157 WeakPolarHBondContact CE1-ND2 3.42Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.23Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.32Å; F153-N157 PolarHBondContact O-N 2.93Å; F153-N157 VanDerWaalsContact O-N 3.15Å; F153-N157 PolarHBondContact O-ND2 3.13Å |
| 154 | L | 35 | Very low | 35.4 | Very low | 110 Ų | 110 | 103.1 Ų | 103.1 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -25.5 | 175.7 | -73.5 | 170.5 | 0 | 0 | 0 | 112.8 | I150 | I150-L154 HydrophobicContact CG2-CD1 3.89Å; I150-L154 HydrophobicContact CG2-CG 4.45Å; I150-L154 WeakPolarHBondContact O-CB 2.92Å; I150-L154 VanDerWaalsContact O-CG 3.25Å; I150-L154 WeakPolarHBondContact O-CG 3.06Å; I150-L154 PolarHBondContact O-N 3.49Å |
| 155 | C | 33.9 | Very low | 34.7 | Very low | 40 Ų | 40 | 103.1 Ų | 103.1 | 27% | 0.27 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -93.3 | -26.8 | 174.6 | -86.1 | 0 | 0 | 0 | 0 | 114.7 | Q96 F151 S152 F153 T158 | Q96-C155 PolarHBondContact NE2-SG 2.96Å; F151-C155 PolarHBondContact O-N 2.85Å; S152-C155 PolarHBondContact O-N 3.09Å; F153-C155 PolarHBondContact O-N 3.19Å; C155-T158 PolarHBondContact O-OG1 3.49Å |
| 156 | N | 35.3 | Very low | 33.9 | Very low | 131 Ų | 131 | 105.4 Ų | 105.4 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81.9 | -13.9 | 175.6 | -98.6 | 5.8 | 0 | 0 | 0 | 113.9 | S152 F153 | S152-N156 WeakPolarHBondContact O-CB 3.49Å; S152-N156 PolarHBondContact O-N 3.46Å; F153-N156 PolarHBondContact O-N 3.37Å |
| 157 | N | 33.6 | Very low | 33.7 | Very low | 99 Ų | 99 | 108.8 Ų | 108.8 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.9 | 10.3 | 173.8 | -84.1 | -63.2 | 0 | 0 | 0 | 113.9 | F153 | F153-N157 WeakPolarHBondContact CE1-ND2 3.42Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.23Å; F153-N157 WeakPolarHBondContact CZ-ND2 3.32Å; F153-N157 PolarHBondContact O-N 2.93Å; F153-N157 VanDerWaalsContact O-N 3.15Å; F153-N157 PolarHBondContact O-ND2 3.13Å |
| 158 | T | 36.8 | Very low | 33.5 | Very low | 93 Ų | 93 | 110.7 Ų | 110.7 | 57% | 0.571 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -103.1 | 4 | 174.7 | 46.7 | 0 | 0 | 0 | 0 | 113.9 | C155 | C155-T158 PolarHBondContact O-OG1 3.49Š|
| 159 | D | 34.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 67% | 0.674 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -102.6 | 6.5 | -173 | -83.5 | -25.6 | 0 | 0 | 0 | 115.8 | ||
| 160 | D | 33.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 111.5 Ų | 111.5 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -138.6 | 14.4 | 179.7 | -83.6 | -42.4 | 0 | 0 | 0 | 116.6 | P162 | D160-P162 WeakPolarHBondContact O-CD 3.36Š|
| 161 | T | 33.6 | Very low | 32.4 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | trans | -110.3 | 104.1 | 169.9 | 39.7 | 0 | 0 | 0 | 0 | 111.9 | L163 | T161-L163 PolarHBondContact O-N 2.93Š| ||
| 162 | P | 27.2 | Very low | 32.1 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -72.9 | 84.9 | 161.2 | 32.1 | -28.9 | 0 | 0 | 0 | 106.8 | D160 C164 | D160-P162 WeakPolarHBondContact O-CD 3.36Å; P162-C164 PolarHBondContact O-N 3.13Å | ||
| 163 | L | 27 | Very low | 32 | Very low | 160 Ų | 160 | 117.3 Ų | 117.3 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | -76.7 | 68.3 | 161.8 | -76.1 | 171.4 | 0 | 0 | 0 | 108.2 | T161 G165 | T161-L163 PolarHBondContact O-N 2.93Å; L163-G165 PolarHBondContact O-N 3.16Å | ||
| 164 | C | 26.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | -57 | 119.6 | 149.1 | -66.6 | 0 | 0 | 0 | 0 | 108.1 | P162 | P162-C164 PolarHBondContact O-N 3.13Š| ||
| 165 | G | 28 | Very low | 31.5 | Very low | 58 Ų | 58 | 117.6 Ų | 117.6 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | trans | -150.6 | 122.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | L163 S167 | L163-G165 PolarHBondContact O-N 3.16Å; G165-S167 PolarHBondContact O-N 3.06Å | ||
| 166 | P | 25.4 | Very low | 31.3 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -71.9 | 133.6 | -169.4 | 30.2 | -32.6 | 0 | 0 | 0 | 110.5 | ||||
| 167 | S | 34.6 | Very low | 31 | Very low | 191 Ų | 191 | 123.5 Ų | 123.5 | 100% | 1.336 | 77% | 0.769 | S | S | * | * | trans | -149 | 0 | 152 | 63 | 0 | 0 | 0 | 0 | 108.5 | G165 | G165-S167 PolarHBondContact O-N 3.06Š|
Retrieved 167 of 167 residues in 131.6 ms
(Link to these results)