| 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 | 39.2 | Very low | 40.3 | Very low | 239 Ų | 239 | 126.1 Ų | 126.1 | 100% | 1.177 | 80% | 0.802 | S | S | * | * | 0 | 132 | 0 | -75.7 | -103.1 | 161 | 0 | 0 | 106.9 | |||||
| 2 | P | 44.4 | Very low | 39.7 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | cis | -107.1 | 176.3 | -3.1 | 17.2 | 7.2 | 0 | 0 | 0 | 110.1 | ||||
| 3 | G | 38.3 | Very low | 39.5 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | 127.1 | 115.5 | 22.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | A | 47 | Very low | 38.8 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | 94 | 110.4 | 108.8 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 5 | G | 38.9 | Very low | 38.4 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | 129.4 | 146.5 | 94.9 | 0 | 0 | 0 | 0 | 0 | 105 | |||||
| 6 | D | 37.4 | Very low | 38.1 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | cis | -162.8 | 137.6 | 36.7 | -151.4 | -123.8 | 0 | 0 | 0 | 104.4 | ||||
| 7 | G | 36.5 | Very low | 37.8 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | 68.9 | 111.5 | 77.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 8 | V | 48.4 | Very low | 37.6 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 66% | 0.661 | 82% | 0.818 | S | S | * | * | 162.7 | 103.3 | 100 | 148.2 | 0 | 0 | 0 | 0 | 104.6 | |||||
| 9 | E | 40.1 | Very low | 38.1 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | 61.7 | 137.5 | 114.5 | 84.4 | -149.1 | 63.2 | 0 | 0 | 114.9 | |||||
| 10 | E | 35.3 | Very low | 38.5 | Very low | 184 Ų | 184 | 121.6 Ų | 121.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | -166.7 | 162.2 | 55 | -170.6 | 172.7 | 88.7 | 0 | 0 | 110.3 | |||||
| 11 | S | 38 | Very low | 38.1 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | trans | -94 | 168.7 | -168.9 | 179.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 12 | C | 33.2 | Very low | 38.1 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | 113.1 | 118.3 | 141.8 | -65 | 0 | 0 | 0 | 0 | 119 | ||||
| 13 | S | 37 | Very low | 37.5 | Very low | 123 Ų | 123 | 111.6 Ų | 111.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 78.8 | 115.1 | 132.7 | -70.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 14 | G | 29.8 | Very low | 37.4 | Very low | 83 Ų | 83 | 113.4 Ų | 113.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | 117.3 | 131.7 | 115.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 15 | G | 32.3 | Very low | 37.1 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 117.9 | 99.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 16 | E | 33.8 | Very low | 37.1 | Very low | 202 Ų | 202 | 117.8 Ų | 117.8 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | trans | -24.6 | 144.8 | 153.3 | -84.7 | 158.8 | 68.9 | 0 | 0 | 117.8 | ||||
| 17 | G | 33.8 | Very low | 36.9 | Very low | 76 Ų | 76 | 113.8 Ų | 113.8 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | 110.2 | 134.2 | 123.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 18 | A | 34.3 | Very low | 36.9 | Very low | 105 Ų | 105 | 115.1 Ų | 115.1 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | 93.7 | 92.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 19 | V | 45.7 | Very low | 36.5 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -75.5 | 149.4 | 135 | -150.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 20 | P | 46.1 | Very low | 36.5 | Very low | 127 Ų | 127 | 113 Ų | 113 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | cis | -147.4 | 173.3 | 35.7 | 38.3 | -15.6 | 0 | 0 | 0 | 117.1 | ||||
| 21 | G | 31.7 | Very low | 36.3 | Very low | 59 Ų | 59 | 106.9 Ų | 106.9 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | 159.6 | 80.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 22 | T | 38.6 | Very low | 36.3 | Very low | 153 Ų | 153 | 112.4 Ų | 112.4 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | 72.2 | 100.2 | 104.9 | 58 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 23 | G | 31.8 | Very low | 36.9 | Very low | 71 Ų | 71 | 114.8 Ų | 114.8 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | -156.6 | 92.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 24 | S | 36.5 | Very low | 37.8 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | 58.3 | 91.4 | 105.5 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 25 | E | 40.3 | Very low | 39.5 | Very low | 179 Ų | 179 | 112.7 Ų | 112.7 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | 81.5 | 99.3 | 110.5 | -85.1 | -172.3 | 94.1 | 0 | 0 | 113.6 | |||||
| 26 | A | 37.8 | Very low | 42 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | -140 | 75.8 | 128.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | A28 | A26-A28 PolarHBondContact O-N 3.02Š| |||
| 27 | G | 33 | Very low | 44.9 | Very low | 66 Ų | 66 | 105.4 Ų | 105.4 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | trans | -59.5 | 92 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | V29 | G27-V29 PolarHBondContact O-N 3.36Š| ||
| 28 | A | 36.5 | Very low | 47.8 | Very low | 91 Ų | 91 | 101.8 Ų | 101.8 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | trans | -60.6 | 92.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 105 | A26 A30 | A26-A28 PolarHBondContact O-N 3.02Å; A28-A30 PolarHBondContact O-N 3.1Å | ||
| 29 | V | 39.9 | Very low | 50.7 | Low | 139 Ų | 139 | 96.8 Ų | 96.8 | 84% | 0.842 | 62% | 0.62 | S | S | * | * | trans | -60.1 | 85.7 | 153 | -172.3 | 0 | 0 | 0 | 0 | 102.9 | G27 G31 | G27-V29 PolarHBondContact O-N 3.36Å; V29-G31 PolarHBondContact O-N 3.3Å | ||
| 30 | A | 41.4 | Very low | 53.1 | Low | 84 Ų | 84 | 91.4 Ų | 91.4 | 69% | 0.694 | 59% | 0.585 | S | S | * | * | trans | -57.7 | 93.9 | 161 | 0 | 0 | 0 | 0 | 0 | 103 | A28 R32 | A28-A30 PolarHBondContact O-N 3.1Å; A30-R32 PolarHBondContact O-N 3.31Å | ||
| 31 | G | 31.7 | Very low | 55.6 | Low | 57 Ų | 57 | 85.5 Ų | 85.5 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | trans | -47 | 107.2 | 161 | 0 | 0 | 0 | 0 | 0 | 103.5 | V29 E33 | V29-G31 PolarHBondContact O-N 3.3Å; G31-E33 PolarHBondContact O-N 2.9Å | ||
| 32 | R | 37.7 | Very low | 58.6 | Low | 211 Ų | 211 | 85.5 Ų | 85.5 | 80% | 0.796 | 53% | 0.531 | S | S | * | . | trans | -67.5 | 90.1 | -178 | -178.3 | -178.7 | -179.2 | -165.1 | 0.1 | 103.8 | A30 P34 | A30-R32 PolarHBondContact O-N 3.31Å; R32-P34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | E | 45.7 | Very low | 61.4 | Low | 159 Ų | 159 | 79.4 Ų | 79.4 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | trans | -45 | 124.2 | 164.4 | -77.2 | -65.4 | 121.3 | 0 | 0 | 105 | G31 S35 | G31-E33 PolarHBondContact O-N 2.9Å; E33-S35 PolarHBondContact O-N 3.01Å | ||
| 34 | P | 54.4 | Low | 64.4 | Low | 92 Ų | 92 | 77.5 Ų | 77.5 | 60% | 0.597 | 46% | 0.464 | S | S | * | . | trans | -53.5 | 115.3 | -176.3 | 20.6 | -30.7 | 0 | 0 | 0 | 106.5 | R32 R36 | R32-P34 VanDerWaalsContact O-N 3.1Å; P34-R36 PolarHBondContact O-N 3.03Å | ||
| 35 | S | 66.9 | Low | 67 | Low | 71 Ų | 71 | 74 Ų | 74 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | trans | -51.3 | 120.5 | -170.8 | -55 | 0 | 0 | 0 | 0 | 107.9 | E33 L37 | E33-S35 PolarHBondContact O-N 3.01Å; S35-L37 PolarHBondContact O-N 3Å | ||
| 36 | R | 85 | Confident | 69.3 | Low | 126 Ų | 126 | 67.9 Ų | 67.9 | 48% | 0.475 | 43% | 0.425 | S | S | . | . | trans | -55.2 | 126.5 | -168.4 | -174.9 | -175.3 | -167.7 | -166.3 | 10.9 | 110 | P34 C38 | P34-R36 PolarHBondContact O-N 3.03Å; R36-C38 PolarHBondContact O-N 3.36Å; R36-C38 PolarHBondContact O-SG 2.84Å; R36-C38 VanDerWaalsContact O-SG 3.32Å | ||
| 37 | L | 94.3 | Very high | 71.7 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 43% | 0.425 | C | S | . | . | trans | -66.6 | 101.1 | 175.3 | 178 | 67.5 | 0 | 0 | 0 | 109.3 | S35 F60 Y129 W130 E133 L134 V199 | S35-L37 PolarHBondContact O-N 3Å; L37-F60 HydrophobicContact CB-CB 3.86Å; L37-F60 HydrophobicContact CD2-CB 4.14Å; L37-F60 HydrophobicContact CD2-CG 4.43Å; L37-F60 HydrophobicContact CG-CB 4.27Å; L37-F60 WeakPolarHBondContact O-CB 3.24Å; L37-F60 PolarHBondContact O-N 2.94Å; L37-Y129 HydrophobicContact CD1-CE1 3.69Å; L37-W130 HydrophobicContact CD1-CD2 4.26Å; L37-W130 HydrophobicContact CD1-CE3 3.85Å; L37-W130 HydrophobicContact CD1-CH2 4.1Å; L37-W130 HydrophobicContact CD1-CZ2 4.49Å; L37-W130 HydrophobicContact CD1-CZ3 3.77Å; L37-W130 HydrophobicContact CD2-CE3 3.92Å; L37-W130 HydrophobicContact CD2-CZ3 3.71Å; L37-W130 HydrophobicContact CG-CE3 3.96Å; L37-W130 HydrophobicContact CG-CH2 3.98Å; L37-W130 HydrophobicContact CG-CZ3 3.48Å; L37-W130 VanDerWaalsContact CG-CZ3 3.48Å; L37-E133 HydrophobicContact CD1-CB 3.86Å; L37-E133 HydrophobicContact CD1-CG 4.07Å; L37-E133 HydrophobicContact CD2-CB 3.77Å; L37-E133 HydrophobicContact CG-CB 4.4Å; L37-L134 HydrophobicContact CD2-CD2 3.76Å; L37-L134 HydrophobicContact CD2-CG 4.15Å; L37-V199 HydrophobicContact CD1-CG1 4.08Å | ||
| 38 | C | 94.9 | Very high | 74.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.7 | 178.2 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | R36 W57 F58 V59 V199 G200 | R36-C38 PolarHBondContact O-N 3.36Å; R36-C38 PolarHBondContact O-SG 2.84Å; R36-C38 VanDerWaalsContact O-SG 3.32Å; C38-W57 HydrophobicContact CB-CH2 4.36Å; C38-W57 HydrophobicContact CB-CZ2 3.73Å; C38-F58 CarbonylContact C-O 3.51Å; C38-F58 WeakPolarHBondContact CA-O 3.38Å; C38-F58 VanDerWaalsContact CB-O 3.26Å; C38-F58 WeakPolarHBondContact CB-O 3.21Å; C38-V59 HydrophobicContact CB-CB 4.39Å; C38-V59 HydrophobicContact CB-CG1 4.29Å; C38-V59 HydrophobicContact CB-CG2 4.14Å; C38-V199 CarbonylContact O-C 3.51Å; C38-V199 WeakPolarHBondContact O-CA 3.39Å; C38-V199 WeakPolarHBondContact O-CG1 3.48Å; C38-G200 PolarHBondContact O-N 2.88Å; C38-G200 VanDerWaalsContact SG-CA 3.51Å |
| 39 | G | 95.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 169.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F58 | G39-F58 PolarHBondContact N-O 2.88Å; G39-F58 PolarHBondContact O-N 2.81Å |
| 40 | Y | 96.2 | Very high | 79 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 10% | 0.102 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.8 | 174.4 | -72.9 | -78.7 | 0 | 0 | 0 | 111.7 | S55 R56 W57 P73 Q206 A208 | Y40-S55 WeakPolarHBondContact CD1-OG 3.42Å; Y40-R56 WeakPolarHBondContact CA-O 3.34Å; Y40-W57 HydrophobicContact CD1-CB 4.28Å; Y40-W57 HydrophobicContact CD1-CE3 4.13Å; Y40-W57 AromaticContact CD2-CE3 3.57Å; Y40-W57 HydrophobicContact CD2-CE3 3.57Å; Y40-W57 AromaticContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CE1-CB 4.01Å; Y40-W57 HydrophobicContact CE1-CE3 4.12Å; Y40-W57 AromaticContact CE2-CE3 3.55Å; Y40-W57 HydrophobicContact CE2-CE3 3.55Å; Y40-W57 AromaticContact CE2-CZ3 3.82Å; Y40-W57 HydrophobicContact CE2-CZ3 3.82Å; Y40-W57 AromaticContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CZ3 4.41Å; Y40-W57 AromaticContact CZ-CE3 3.86Å; Y40-P73 WeakPolarHBondContact OH-CD 3.49Å; Y40-P73 WeakPolarHBondContact OH-CG 3.39Å; Y40-Q206 WeakPolarHBondContact CE2-O 3.44Å; Y40-A208 HydrophobicContact CD1-CB 4.11Å; Y40-A208 HydrophobicContact CE1-CB 3.8Å |
| 41 | L | 96.8 | Very high | 81.5 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.4 | 166 | -66.3 | 172.2 | 0 | 0 | 0 | 109.9 | K43 R56 F58 F108 L119 A121 W130 | L41-K43 PolarHBondContact O-N 2.94Å; L41-R56 PolarHBondContact N-O 3.24Å; L41-R56 PolarHBondContact O-N 3.11Å; L41-F58 HydrophobicContact CB-CD2 3.64Å; L41-F58 HydrophobicContact CB-CE2 3.61Å; L41-F58 HydrophobicContact CD1-CD2 4.22Å; L41-F58 HydrophobicContact CD1-CG 4.44Å; L41-F58 HydrophobicContact CG-CD2 4.21Å; L41-F108 HydrophobicContact CD1-CE1 4.39Å; L41-F108 HydrophobicContact CD1-CZ 4.06Å; L41-L119 HydrophobicContact CD1-CD1 4.1Å; L41-A121 HydrophobicContact CD2-CB 3.91Å; L41-W130 HydrophobicContact CD1-CD2 3.81Å; L41-W130 HydrophobicContact CD1-CE3 4.26Å; L41-W130 HydrophobicContact CD1-CG 4.07Å; L41-W130 HydrophobicContact CD1-CZ2 4.17Å; L41-W130 HydrophobicContact CD2-CG 4.4Å; L41-W130 HydrophobicContact CG-CD2 4.49Å; L41-W130 HydrophobicContact CG-CZ2 4.32Å |
| 42 | Q | 96.4 | Very high | 84.4 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 28% | 0.28 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110 | 173.7 | -70.2 | -167.9 | -32.3 | 0 | 0 | 109.8 | Y53 R54 L119 K120 | Q42-Y53 HydrophobicContact CB-CD1 3.84Å; Q42-Y53 HydrophobicContact CB-CG 4.3Å; Q42-Y53 WeakPolarHBondContact O-CD1 3.18Å; Q42-R54 CarbonylContact C-O 3.55Å; Q42-R54 WeakPolarHBondContact CA-O 3.19Å; Q42-L119 CarbonylContact O-C 3.52Å; Q42-L119 WeakPolarHBondContact O-CA 3.32Å; Q42-K120 HydrophobicContact CB-CB 4.03Å; Q42-K120 WeakPolarHBondContact CB-O 3.41Å; Q42-K120 PolarHBondContact N-O 3.4Å; Q42-K120 PolarHBondContact O-N 2.95Å |
| 43 | K | 96.4 | Very high | 87.2 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 10% | 0.104 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.7 | 175.4 | -173.3 | 176.8 | 178.1 | -64.2 | 0 | 110.5 | L41 S45 R54 R56 F58 Y69 T117 L119 | L41-K43 PolarHBondContact O-N 2.94Å; K43-S45 PolarHBondContact NZ-OG 2.8Å; K43-S45 PolarHBondContact O-N 2.91Å; K43-R54 PolarHBondContact N-O 2.82Å; K43-R54 PolarHBondContact O-N 3.04Å; K43-R56 HydrophobicContact CB-CG 4.15Å; K43-F58 HydrophobicContact CB-CE2 4.48Å; K43-F58 HydrophobicContact CB-CZ 4.06Å; K43-F58 HydrophobicContact CD-CZ 4.22Å; K43-F58 HydrophobicContact CG-CZ 4.48Å; K43-Y69 HydrophobicContact CD-CD2 4.29Å; K43-Y69 HydrophobicContact CD-CE2 4.15Å; K43-T117 HydrophobicContact CD-CG2 4.17Å; K43-T117 HydrophobicContact CG-CG2 3.97Å; K43-L119 HydrophobicContact CB-CD2 3.83Å; K43-L119 HydrophobicContact CG-CD2 3.82Å |
| 44 | L | 95 | Very high | 89.5 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120 | 170 | -165.9 | 60.4 | 0 | 0 | 0 | 109 | R51 Y53 V118 | L44-R51 HydrophobicContact CD1-CG 4.07Å; L44-R51 HydrophobicContact CG-CG 4.23Å; L44-Y53 HydrophobicContact CB-CD1 4.2Å; L44-Y53 HydrophobicContact CB-CE1 3.93Å; L44-Y53 HydrophobicContact CD1-CD1 4.34Å; L44-Y53 HydrophobicContact CD1-CD2 4.13Å; L44-Y53 HydrophobicContact CD1-CE1 4.29Å; L44-Y53 HydrophobicContact CD1-CE2 4.08Å; L44-Y53 HydrophobicContact CD1-CG 4.27Å; L44-V118 HydrophobicContact CB-CB 3.87Å; L44-V118 HydrophobicContact CD2-CB 3.91Å; L44-V118 HydrophobicContact CD2-CG1 4.36Å; L44-V118 HydrophobicContact CD2-CG2 4.04Å; L44-V118 PolarHBondContact N-O 3.26Å |
| 45 | S | 91.3 | Very high | 91.5 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 163.9 | -176.9 | -68 | 0 | 0 | 0 | 0 | 110.8 | K43 R51 G52 | K43-S45 PolarHBondContact NZ-OG 2.8Å; K43-S45 PolarHBondContact O-N 2.91Å; S45-R51 WeakPolarHBondContact O-CA 3.41Å; S45-G52 PolarHBondContact N-O 3.33Å; S45-G52 PolarHBondContact O-N 3Å; S45-G52 VanDerWaalsContact O-O 3.04Å |
| 46 | G | 88.3 | Confident | 92.9 | Very high | 50 Ų | 50 | 64.7 Ų | 64.7 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | trans | 93.2 | 164.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 47 | K | 87.9 | Confident | 93.4 | Very high | 194 Ų | 194 | 59.3 Ų | 59.3 | 84% | 0.843 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -121.6 | 150.3 | 177.1 | -64.4 | -173.6 | 179 | -175.9 | 0 | 109.3 | L50 | K47-L50 PolarHBondContact O-N 2.67Š|
| 48 | G | 86.6 | Confident | 93.6 | Very high | 58 Ų | 58 | 59.1 Ų | 59.1 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | 58.5 | -139.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L50 R51 | G48-L50 PolarHBondContact O-N 3.38Å; G48-L50 VanDerWaalsContact O-N 3.1Å; G48-R51 WeakPolarHBondContact O-CB 3.35Å; G48-R51 PolarHBondContact O-N 3.36Å |
| 49 | P | 87.9 | Confident | 93.6 | Very high | 140 Ų | 140 | 59.2 Ų | 59.2 | 91% | 0.909 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60.1 | -20.8 | -178.5 | -24 | 33.7 | 0 | 0 | 0 | 114.9 | R51 | P49-R51 VanDerWaalsContact C-N 3.29Š|
| 50 | L | 89.6 | Confident | 93.7 | Very high | 137 Ų | 137 | 59.8 Ų | 59.8 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -87.8 | 3 | 179 | -60.8 | 177.4 | 0 | 0 | 0 | 112.9 | K47 G48 G52 | K47-L50 PolarHBondContact O-N 2.67Å; G48-L50 PolarHBondContact O-N 3.38Å; G48-L50 VanDerWaalsContact O-N 3.1Å; L50-G52 PolarHBondContact O-N 3.23Å |
| 51 | R | 92.8 | Very high | 93.6 | Very high | 160 Ų | 160 | 60.6 Ų | 60.6 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | trans | -66.1 | 121.1 | 177 | -173.5 | -178.9 | -177.8 | -155.8 | 2.6 | 109.5 | L44 S45 G48 P49 | L44-R51 HydrophobicContact CD1-CG 4.07Å; L44-R51 HydrophobicContact CG-CG 4.23Å; S45-R51 WeakPolarHBondContact O-CA 3.41Å; G48-R51 WeakPolarHBondContact O-CB 3.35Å; G48-R51 PolarHBondContact O-N 3.36Å; P49-R51 VanDerWaalsContact C-N 3.29Å | ||
| 52 | G | 93.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 165.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S45 L50 | S45-G52 PolarHBondContact N-O 3.33Å; S45-G52 PolarHBondContact O-N 3Å; S45-G52 VanDerWaalsContact O-O 3.04Å; L50-G52 PolarHBondContact O-N 3.23Å |
| 53 | Y | 95 | Very high | 93.1 | Very high | 77 Ų | 77 | 71.8 Ų | 71.8 | 30% | 0.302 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.8 | 175.8 | -76.3 | -74.8 | 0 | 0 | 0 | 110.7 | Q42 L44 V118 K120 | Q42-Y53 HydrophobicContact CB-CD1 3.84Å; Q42-Y53 HydrophobicContact CB-CG 4.3Å; Q42-Y53 WeakPolarHBondContact O-CD1 3.18Å; L44-Y53 HydrophobicContact CB-CD1 4.2Å; L44-Y53 HydrophobicContact CB-CE1 3.93Å; L44-Y53 HydrophobicContact CD1-CD1 4.34Å; L44-Y53 HydrophobicContact CD1-CD2 4.13Å; L44-Y53 HydrophobicContact CD1-CE1 4.29Å; L44-Y53 HydrophobicContact CD1-CE2 4.08Å; L44-Y53 HydrophobicContact CD1-CG 4.27Å; Y53-V118 HydrophobicContact CE1-CG1 4.45Å; Y53-K120 HydrophobicContact CD1-CB 3.98Å; Y53-K120 HydrophobicContact CE1-CB 3.56Å; Y53-K120 HydrophobicContact CE2-CD 4.45Å |
| 54 | R | 94.8 | Very high | 92.9 | Very high | 134 Ų | 134 | 76.9 Ų | 76.9 | 51% | 0.506 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.4 | 174.8 | -65.2 | -65.9 | -178.7 | -94.9 | 2.1 | 108.8 | Q42 K43 R56 | Q42-R54 CarbonylContact C-O 3.55Å; Q42-R54 WeakPolarHBondContact CA-O 3.19Å; K43-R54 PolarHBondContact N-O 2.82Å; K43-R54 PolarHBondContact O-N 3.04Å; R54-R56 PolarHBondContact O-N 2.83Å |
| 55 | S | 95.6 | Very high | 92.9 | Very high | 32 Ų | 32 | 75.4 Ų | 75.4 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 129.3 | 173 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | Y40 | Y40-S55 WeakPolarHBondContact CD1-OG 3.42Å |
| 56 | R | 96.9 | Very high | 93.1 | Very high | 55 Ų | 55 | 75.9 Ų | 75.9 | 21% | 0.208 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.2 | 178 | -63.5 | -62.6 | -174.4 | -170.6 | 6.3 | 108.8 | Y40 L41 K43 R54 F58 Y69 F70 L79 | Y40-R56 WeakPolarHBondContact CA-O 3.34Å; L41-R56 PolarHBondContact N-O 3.24Å; L41-R56 PolarHBondContact O-N 3.11Å; K43-R56 HydrophobicContact CB-CG 4.15Å; R54-R56 PolarHBondContact O-N 2.83Å; R56-F58 HydrophobicContact CB-CD2 4.23Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 4.21Å; R56-F58 VanDerWaalsContact O-CD2 3.24Å; R56-F58 WeakPolarHBondContact O-CD2 3.25Å; R56-Y69 HydrophobicContact CG-CD2 4.47Å; R56-F70 WeakPolarHBondContact CA-O 3.46Å; R56-F70 WeakPolarHBondContact CD-O 3.38Å; R56-L79 VanDerWaalsContact NH1-CD1 3.28Å |
| 57 | W | 96.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 5% | 0.045 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 118.2 | 174.6 | 178.7 | -107.7 | 0 | 0 | 0 | 108.9 | C38 Y40 V59 Y69 F70 P73 A203 A204 | C38-W57 HydrophobicContact CB-CH2 4.36Å; C38-W57 HydrophobicContact CB-CZ2 3.73Å; Y40-W57 HydrophobicContact CD1-CB 4.28Å; Y40-W57 HydrophobicContact CD1-CE3 4.13Å; Y40-W57 AromaticContact CD2-CE3 3.57Å; Y40-W57 HydrophobicContact CD2-CE3 3.57Å; Y40-W57 AromaticContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CD2-CZ3 3.75Å; Y40-W57 HydrophobicContact CE1-CB 4.01Å; Y40-W57 HydrophobicContact CE1-CE3 4.12Å; Y40-W57 AromaticContact CE2-CE3 3.55Å; Y40-W57 HydrophobicContact CE2-CE3 3.55Å; Y40-W57 AromaticContact CE2-CZ3 3.82Å; Y40-W57 HydrophobicContact CE2-CZ3 3.82Å; Y40-W57 AromaticContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CE3 3.88Å; Y40-W57 HydrophobicContact CG-CZ3 4.41Å; Y40-W57 AromaticContact CZ-CE3 3.86Å; W57-V59 HydrophobicContact CG-CG2 4.33Å; W57-Y69 CarbonylContact O-C 3.58Å; W57-Y69 VanDerWaalsContact O-CA 3.25Å; W57-Y69 WeakPolarHBondContact O-CA 3.44Å; W57-F70 HydrophobicContact CB-CB 4.39Å; W57-F70 PolarHBondContact N-O 2.79Å; W57-F70 VanDerWaalsContact N-O 3.11Å; W57-F70 PolarHBondContact O-N 3.49Å; W57-P73 HydrophobicContact CD2-CB 3.78Å; W57-P73 HydrophobicContact CD2-CG 4.28Å; W57-P73 HydrophobicContact CE3-CB 4.4Å; W57-P73 HydrophobicContact CE3-CG 4.48Å; W57-P73 HydrophobicContact CG-CB 3.84Å; W57-P73 HydrophobicContact CG-CG 4.41Å; W57-P73 HydrophobicContact CZ2-CB 4.37Å; W57-A203 HydrophobicContact CH2-CB 3.94Å; W57-A203 HydrophobicContact CZ3-CB 3.94Å; W57-A204 HydrophobicContact CH2-CB 3.78Å; W57-A204 VanDerWaalsContact CH2-N 3.28Å; W57-A204 HydrophobicContact CZ2-CB 3.75Å; W57-A204 HydrophobicContact CZ3-CB 4.43Å |
| 58 | F | 97 | Very high | 94 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 143.8 | -179 | -74.5 | -95.5 | 0 | 0 | 0 | 110.8 | C38 G39 L41 K43 R56 L67 Y68 Y69 L82 L119 W130 | C38-F58 CarbonylContact C-O 3.51Å; C38-F58 WeakPolarHBondContact CA-O 3.38Å; C38-F58 VanDerWaalsContact CB-O 3.26Å; C38-F58 WeakPolarHBondContact CB-O 3.21Å; G39-F58 PolarHBondContact N-O 2.88Å; G39-F58 PolarHBondContact O-N 2.81Å; L41-F58 HydrophobicContact CB-CD2 3.64Å; L41-F58 HydrophobicContact CB-CE2 3.61Å; L41-F58 HydrophobicContact CD1-CD2 4.22Å; L41-F58 HydrophobicContact CD1-CG 4.44Å; L41-F58 HydrophobicContact CG-CD2 4.21Å; K43-F58 HydrophobicContact CB-CE2 4.48Å; K43-F58 HydrophobicContact CB-CZ 4.06Å; K43-F58 HydrophobicContact CD-CZ 4.22Å; K43-F58 HydrophobicContact CG-CZ 4.48Å; R56-F58 HydrophobicContact CB-CD2 4.23Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 4.21Å; R56-F58 VanDerWaalsContact O-CD2 3.24Å; R56-F58 WeakPolarHBondContact O-CD2 3.25Å; F58-L67 HydrophobicContact CB-CD1 4.26Å; F58-L67 HydrophobicContact CB-CG 4.49Å; F58-L67 HydrophobicContact CD1-CD2 3.78Å; F58-L67 HydrophobicContact CD1-CG 3.91Å; F58-L67 HydrophobicContact CE1-CD2 4.43Å; F58-Y68 CarbonylContact C-O 3.59Å; F58-Y68 WeakPolarHBondContact CA-O 3.2Å; F58-Y69 HydrophobicContact CE1-CD1 4.22Å; F58-Y69 HydrophobicContact CE1-CG 4.1Å; F58-Y69 HydrophobicContact CZ-CG 4.42Å; F58-L82 HydrophobicContact CE1-CD1 4.06Å; F58-L119 HydrophobicContact CE1-CD1 4.24Å; F58-L119 HydrophobicContact CE1-CD2 4.08Å; F58-L119 HydrophobicContact CE2-CD2 4.24Å; F58-L119 HydrophobicContact CZ-CD1 4.33Å; F58-L119 HydrophobicContact CZ-CD2 3.5Å; F58-L119 VanDerWaalsContact CZ-CD2 3.5Å; F58-W130 HydrophobicContact CB-CH2 3.86Å; F58-W130 HydrophobicContact CB-CZ2 4.44Å; F58-W130 HydrophobicContact CB-CZ3 4.49Å |
| 59 | V | 96.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 120.3 | -173.9 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | C38 W57 Y68 F70 | C38-V59 HydrophobicContact CB-CB 4.39Å; C38-V59 HydrophobicContact CB-CG1 4.29Å; C38-V59 HydrophobicContact CB-CG2 4.14Å; W57-V59 HydrophobicContact CG-CG2 4.33Å; V59-Y68 PolarHBondContact N-O 2.82Å; V59-Y68 PolarHBondContact O-N 2.88Å; V59-F70 HydrophobicContact CB-CE2 4.05Å; V59-F70 HydrophobicContact CG2-CD2 4.02Å; V59-F70 HydrophobicContact CG2-CE2 3.84Å |
| 60 | F | 96.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 140.6 | 178.1 | -172.7 | -102.3 | 0 | 0 | 0 | 111.7 | L37 S62 L67 I84 L134 K137 | L37-F60 HydrophobicContact CB-CB 3.86Å; L37-F60 HydrophobicContact CD2-CB 4.14Å; L37-F60 HydrophobicContact CD2-CG 4.43Å; L37-F60 HydrophobicContact CG-CB 4.27Å; L37-F60 WeakPolarHBondContact O-CB 3.24Å; L37-F60 PolarHBondContact O-N 2.94Å; F60-S62 VanDerWaalsContact CE1-CA 3.47Å; F60-L67 HydrophobicContact CB-CD1 3.98Å; F60-L67 HydrophobicContact CD2-CD1 4.38Å; F60-I84 HydrophobicContact CD2-CG1 4.41Å; F60-I84 HydrophobicContact CE2-CB 4.18Å; F60-I84 HydrophobicContact CE2-CG1 4.07Å; F60-I84 HydrophobicContact CE2-CG2 4.34Å; F60-L134 HydrophobicContact CD2-CD2 4.31Å; F60-K137 HydrophobicContact CD1-CD 4.09Å; F60-K137 HydrophobicContact CD1-CG 4.08Å; F60-K137 HydrophobicContact CE1-CB 3.73Å; F60-K137 HydrophobicContact CE1-CD 3.61Å; F60-K137 HydrophobicContact CE1-CG 3.68Å; F60-K137 HydrophobicContact CE2-CB 4.08Å; F60-K137 HydrophobicContact CZ-CB 3.49Å; F60-K137 VanDerWaalsContact CZ-CB 3.49Å; F60-K137 HydrophobicContact CZ-CD 4.28Å; F60-K137 HydrophobicContact CZ-CG 3.98Å |
| 61 | D | 94.6 | Very high | 95.1 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 111.3 | 171.8 | -178.4 | -10.7 | 0 | 0 | 0 | 109.2 | R63 C65 Y66 Y68 | D61-R63 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 2.92Å; D61-R63 WeakPolarHBondContact OD1-CB 3.35Å; D61-R63 PolarHBondContact OD1-N 3.42Å; D61-C65 WeakPolarHBondContact O-CA 3.49Å; D61-C65 PolarHBondContact O-N 3.3Å; D61-Y66 PolarHBondContact N-O 3.25Å; D61-Y66 PolarHBondContact O-N 3.21Å; D61-Y66 VanDerWaalsContact O-N 3.14Å; D61-Y68 HydrophobicContact CB-CD2 4.05Å; D61-Y68 HydrophobicContact CB-CE2 3.63Å |
| 62 | S | 91.7 | Very high | 95.1 | Very high | 80 Ų | 80 | 53.9 Ų | 53.9 | 56% | 0.559 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.5 | -178.6 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | F60 | F60-S62 VanDerWaalsContact CE1-CA 3.47Š|
| 63 | R | 90.4 | Very high | 95 | Very high | 216 Ų | 216 | 54.5 Ų | 54.5 | 82% | 0.815 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -35.8 | -176 | -62.6 | 177.8 | 62.8 | -167.4 | -0.5 | 112 | D61 | D61-R63 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 2.92Å; D61-R63 WeakPolarHBondContact OD1-CB 3.35Å; D61-R63 PolarHBondContact OD1-N 3.42Å |
| 64 | R | 92.1 | Very high | 94.8 | Very high | 132 Ų | 132 | 57.3 Ų | 57.3 | 50% | 0.498 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -5.7 | -179.5 | -58.9 | -173.7 | 70.6 | 171.7 | 4.6 | 113 | Y66 | R64-Y66 HydrophobicContact CB-CD1 4.27Å; R64-Y66 HydrophobicContact CB-CD2 3.83Å; R64-Y66 HydrophobicContact CB-CE2 4.2Å; R64-Y66 HydrophobicContact CB-CG 3.86Å; R64-Y66 WeakPolarHBondContact O-CD1 3.46Å; R64-Y66 WeakPolarHBondContact O-CE1 3.47Å; R64-Y66 PolarHBondContact O-N 3.38Å |
| 65 | C | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40.3 | -168 | -150.8 | 0 | 0 | 0 | 0 | 112.2 | D61 I84 A85 Y141 | D61-C65 WeakPolarHBondContact O-CA 3.49Å; D61-C65 PolarHBondContact O-N 3.3Å; C65-I84 WeakPolarHBondContact O-CA 3.11Å; C65-I84 VanDerWaalsContact O-CB 3.24Å; C65-I84 WeakPolarHBondContact O-CB 3.38Å; C65-I84 PolarHBondContact O-N 2.99Å; C65-A85 HydrophobicContact CB-CB 4.07Å; C65-Y141 HydrophobicContact CB-CD1 3.58Å; C65-Y141 HydrophobicContact CB-CD2 3.69Å; C65-Y141 HydrophobicContact CB-CE1 3.79Å; C65-Y141 HydrophobicContact CB-CE2 3.91Å; C65-Y141 HydrophobicContact CB-CG 3.51Å |
| 66 | Y | 96.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.9 | -178.4 | -73.4 | -5.9 | 0 | 0 | 0 | 111 | D61 R64 Y68 H81 L82 D83 | D61-Y66 PolarHBondContact N-O 3.25Å; D61-Y66 PolarHBondContact O-N 3.21Å; D61-Y66 VanDerWaalsContact O-N 3.14Å; R64-Y66 HydrophobicContact CB-CD1 4.27Å; R64-Y66 HydrophobicContact CB-CD2 3.83Å; R64-Y66 HydrophobicContact CB-CE2 4.2Å; R64-Y66 HydrophobicContact CB-CG 3.86Å; R64-Y66 WeakPolarHBondContact O-CD1 3.46Å; R64-Y66 WeakPolarHBondContact O-CE1 3.47Å; R64-Y66 PolarHBondContact O-N 3.38Å; Y66-Y68 HydrophobicContact CD2-CE1 4.32Å; Y66-Y68 AromaticContact CD2-CZ 3.96Å; Y66-H81 HydrophobicContact CD2-CB 4.49Å; Y66-H81 AromaticContact CD2-CD2 3.71Å; Y66-H81 AromaticContact CE2-CD2 3.75Å; Y66-H81 AromaticContact CE2-NE2 3.92Å; Y66-H81 AromaticContact CG-CD2 3.99Å; Y66-L82 WeakPolarHBondContact CA-O 3.4Å; Y66-D83 HydrophobicContact CD1-CB 4.22Å; Y66-D83 HydrophobicContact CE1-CB 3.9Å |
| 67 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 99.8 | 168.1 | -173.3 | 69.6 | 0 | 0 | 0 | 109 | F58 F60 H81 L82 I84 W130 L134 | F58-L67 HydrophobicContact CB-CD1 4.26Å; F58-L67 HydrophobicContact CB-CG 4.49Å; F58-L67 HydrophobicContact CD1-CD2 3.78Å; F58-L67 HydrophobicContact CD1-CG 3.91Å; F58-L67 HydrophobicContact CE1-CD2 4.43Å; F60-L67 HydrophobicContact CB-CD1 3.98Å; F60-L67 HydrophobicContact CD2-CD1 4.38Å; L67-H81 CarbonylContact O-C 3.48Å; L67-H81 WeakPolarHBondContact O-CA 3.45Å; L67-L82 HydrophobicContact CB-CB 4.31Å; L67-L82 HydrophobicContact CB-CD1 4.48Å; L67-L82 HydrophobicContact CD2-CD1 3.99Å; L67-L82 HydrophobicContact CG-CD1 4.5Å; L67-L82 PolarHBondContact N-O 2.87Å; L67-L82 PolarHBondContact O-N 3.14Å; L67-I84 HydrophobicContact CB-CD1 3.8Å; L67-I84 HydrophobicContact CB-CG1 3.77Å; L67-I84 HydrophobicContact CD2-CD1 4.47Å; L67-W130 HydrophobicContact CD1-CH2 4.44Å; L67-W130 HydrophobicContact CD1-CZ3 3.88Å; L67-W130 HydrophobicContact CD2-CZ3 4.43Å; L67-L134 HydrophobicContact CD1-CD2 4.32Å; L67-L134 HydrophobicContact CD2-CD1 4.29Å; L67-L134 HydrophobicContact CD2-CD2 4.07Å |
| 68 | Y | 96.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 63.1 Ų | 63.1 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 151.8 | 176.3 | -64.3 | -76.9 | 0 | 0 | 0 | 111 | F58 V59 D61 Y66 P78 H81 | F58-Y68 CarbonylContact C-O 3.59Å; F58-Y68 WeakPolarHBondContact CA-O 3.2Å; V59-Y68 PolarHBondContact N-O 2.82Å; V59-Y68 PolarHBondContact O-N 2.88Å; D61-Y68 HydrophobicContact CB-CD2 4.05Å; D61-Y68 HydrophobicContact CB-CE2 3.63Å; Y66-Y68 HydrophobicContact CD2-CE1 4.32Å; Y66-Y68 AromaticContact CD2-CZ 3.96Å; Y68-P78 HydrophobicContact CD1-CB 3.94Å; Y68-P78 HydrophobicContact CD1-CG 4.07Å; Y68-P78 HydrophobicContact CG-CB 4.48Å; Y68-H81 HydrophobicContact CD1-CB 3.65Å; Y68-H81 HydrophobicContact CE1-CB 3.85Å; Y68-H81 HydrophobicContact CG-CB 4.43Å |
| 69 | Y | 96.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.7 | 171.7 | 64.3 | -87.9 | 0 | 0 | 0 | 112.9 | K43 R56 W57 F58 L79 G80 | K43-Y69 HydrophobicContact CD-CD2 4.29Å; K43-Y69 HydrophobicContact CD-CE2 4.15Å; R56-Y69 HydrophobicContact CG-CD2 4.47Å; W57-Y69 CarbonylContact O-C 3.58Å; W57-Y69 VanDerWaalsContact O-CA 3.25Å; W57-Y69 WeakPolarHBondContact O-CA 3.44Å; F58-Y69 HydrophobicContact CE1-CD1 4.22Å; F58-Y69 HydrophobicContact CE1-CG 4.1Å; F58-Y69 HydrophobicContact CZ-CG 4.42Å; Y69-L79 HydrophobicContact CD2-CB 3.78Å; Y69-L79 HydrophobicContact CD2-CD1 4.25Å; Y69-L79 HydrophobicContact CE2-CB 3.53Å; Y69-L79 HydrophobicContact CE2-CD1 4.41Å; Y69-L79 WeakPolarHBondContact O-CB 3.45Å; Y69-L79 PolarHBondContact O-N 3.34Å; Y69-G80 WeakPolarHBondContact CD1-O 3.2Å; Y69-G80 PolarHBondContact N-O 3.39Å |
| 70 | F | 96.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 68 Ų | 68 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 165.1 | -173 | -56.7 | -99.9 | 0 | 0 | 0 | 110.2 | R56 W57 V59 S72 D75 L77 P78 | R56-F70 WeakPolarHBondContact CA-O 3.46Å; R56-F70 WeakPolarHBondContact CD-O 3.38Å; W57-F70 HydrophobicContact CB-CB 4.39Å; W57-F70 PolarHBondContact N-O 2.79Å; W57-F70 VanDerWaalsContact N-O 3.11Å; W57-F70 PolarHBondContact O-N 3.49Å; V59-F70 HydrophobicContact CB-CE2 4.05Å; V59-F70 HydrophobicContact CG2-CD2 4.02Å; V59-F70 HydrophobicContact CG2-CE2 3.84Å; F70-S72 VanDerWaalsContact CB-O 3.24Å; F70-S72 WeakPolarHBondContact CB-O 3.45Å; F70-D75 HydrophobicContact CB-CB 4.28Å; F70-D75 HydrophobicContact CD1-CB 4.11Å; F70-L77 WeakPolarHBondContact CD1-O 3.29Å; F70-P78 HydrophobicContact CD1-CB 4.18Å; F70-P78 VanDerWaalsContact CE1-CA 3.43Å; F70-P78 HydrophobicContact CE1-CB 3.67Å; F70-P78 HydrophobicContact CE1-CG 4.29Å; F70-P78 VanDerWaalsContact CE1-N 3.3Å; F70-P78 HydrophobicContact CE2-CB 4.39Å; F70-P78 HydrophobicContact CZ-CB 3.78Å; F70-P78 HydrophobicContact CZ-CG 4.47Å |
| 71 | K | 95.1 | Very high | 94.1 | Very high | 146 Ų | 146 | 72.1 Ų | 72.1 | 64% | 0.635 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -74.9 | -40.2 | 171.3 | 177.2 | -174.6 | 177.7 | -170.9 | 0 | 109.6 | D75 L79 | K71-D75 WeakPolarHBondContact CA-OD2 3.39Å; K71-D75 WeakPolarHBondContact CB-OD2 3.47Å; K71-D75 PolarHBondContact N-OD2 2.83Å; K71-L79 HydrophobicContact CB-CD1 4.14Å |
| 72 | S | 91.7 | Very high | 94.1 | Very high | 26 Ų | 26 | 70.5 Ų | 70.5 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -137.8 | 158.9 | 176 | 85.6 | 0 | 0 | 0 | 0 | 111 | F70 Q74 D75 | F70-S72 VanDerWaalsContact CB-O 3.24Å; F70-S72 WeakPolarHBondContact CB-O 3.45Å; S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 PolarHBondContact OG-N 2.86Å; S72-Q74 PolarHBondContact OG-OE1 3.11Å; S72-D75 PolarHBondContact N-OD2 2.85Å; S72-D75 WeakPolarHBondContact O-CB 3.19Å; S72-D75 PolarHBondContact O-N 2.84Å; S72-D75 PolarHBondContact OG-N 2.83Å; S72-D75 PolarHBondContact OG-OD1 2.74Å |
| 73 | P | 91.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 68.7 Ų | 68.7 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.2 | 174.6 | 18.5 | -25.2 | 0 | 0 | 0 | 113.8 | Y40 W57 D75 A204 | Y40-P73 WeakPolarHBondContact OH-CD 3.49Å; Y40-P73 WeakPolarHBondContact OH-CG 3.39Å; W57-P73 HydrophobicContact CD2-CB 3.78Å; W57-P73 HydrophobicContact CD2-CG 4.28Å; W57-P73 HydrophobicContact CE3-CB 4.4Å; W57-P73 HydrophobicContact CE3-CG 4.48Å; W57-P73 HydrophobicContact CG-CB 3.84Å; W57-P73 HydrophobicContact CG-CG 4.41Å; W57-P73 HydrophobicContact CZ2-CB 4.37Å; P73-D75 VanDerWaalsContact C-N 3.3Å; P73-A204 HydrophobicContact CB-CB 3.7Å; P73-A204 HydrophobicContact CG-CB 4.1Å; P73-A204 WeakPolarHBondContact CG-O 3.5Å |
| 74 | Q | 90.9 | Very high | 94.6 | Very high | 137 Ų | 137 | 58.4 Ų | 58.4 | 64% | 0.64 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -9.5 | 176.9 | -61.9 | 78.4 | 24.3 | 0 | 0 | 112.8 | S72 | S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 PolarHBondContact OG-N 2.86Å; S72-Q74 PolarHBondContact OG-OE1 3.11Å |
| 75 | D | 92.8 | Very high | 94.7 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | trans | -72.1 | 131.8 | -177.7 | -62.4 | -15.8 | 0 | 0 | 0 | 111.1 | F70 K71 S72 P73 | F70-D75 HydrophobicContact CB-CB 4.28Å; F70-D75 HydrophobicContact CD1-CB 4.11Å; K71-D75 WeakPolarHBondContact CA-OD2 3.39Å; K71-D75 WeakPolarHBondContact CB-OD2 3.47Å; K71-D75 PolarHBondContact N-OD2 2.83Å; S72-D75 PolarHBondContact N-OD2 2.85Å; S72-D75 WeakPolarHBondContact O-CB 3.19Å; S72-D75 PolarHBondContact O-N 2.84Å; S72-D75 PolarHBondContact OG-N 2.83Å; S72-D75 PolarHBondContact OG-OD1 2.74Å; P73-D75 VanDerWaalsContact C-N 3.3Å | ||
| 76 | A | 89.1 | Confident | 94.6 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -77.6 | -24.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 77 | L | 94.7 | Very high | 94.5 | Very high | 142 Ų | 142 | 54.7 Ų | 54.7 | 74% | 0.743 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -111.2 | 123.9 | -173.7 | -70.6 | 172.4 | 0 | 0 | 0 | 111.6 | F70 | F70-L77 WeakPolarHBondContact CD1-O 3.29Š|
| 78 | P | 96.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | trans | -69.5 | 142.8 | 175 | 28.4 | -32.8 | 0 | 0 | 0 | 110.6 | Y68 F70 | Y68-P78 HydrophobicContact CD1-CB 3.94Å; Y68-P78 HydrophobicContact CD1-CG 4.07Å; Y68-P78 HydrophobicContact CG-CB 4.48Å; F70-P78 HydrophobicContact CD1-CB 4.18Å; F70-P78 VanDerWaalsContact CE1-CA 3.43Å; F70-P78 HydrophobicContact CE1-CB 3.67Å; F70-P78 HydrophobicContact CE1-CG 4.29Å; F70-P78 VanDerWaalsContact CE1-N 3.3Å; F70-P78 HydrophobicContact CE2-CB 4.39Å; F70-P78 HydrophobicContact CZ-CB 3.78Å; F70-P78 HydrophobicContact CZ-CG 4.47Å | ||
| 79 | L | 95.4 | Very high | 94.4 | Very high | 88 Ų | 88 | 58.2 Ų | 58.2 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -73.1 | -24.1 | 171.1 | -62 | 172.1 | 0 | 0 | 0 | 111.6 | R56 Y69 K71 | R56-L79 VanDerWaalsContact NH1-CD1 3.28Å; Y69-L79 HydrophobicContact CD2-CB 3.78Å; Y69-L79 HydrophobicContact CD2-CD1 4.25Å; Y69-L79 HydrophobicContact CE2-CB 3.53Å; Y69-L79 HydrophobicContact CE2-CD1 4.41Å; Y69-L79 WeakPolarHBondContact O-CB 3.45Å; Y69-L79 PolarHBondContact O-N 3.34Å; K71-L79 HydrophobicContact CB-CD1 4.14Å |
| 80 | G | 95.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | -173.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y69 | Y69-G80 WeakPolarHBondContact CD1-O 3.2Å; Y69-G80 PolarHBondContact N-O 3.39Å |
| 81 | H | 95.8 | Very high | 94 | Very high | 98 Ų | 98 | 63.9 Ų | 63.9 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 164.1 | 177.4 | 63.4 | -77.8 | 0 | 0 | 0 | 110.7 | Y66 L67 Y68 | Y66-H81 HydrophobicContact CD2-CB 4.49Å; Y66-H81 AromaticContact CD2-CD2 3.71Å; Y66-H81 AromaticContact CE2-CD2 3.75Å; Y66-H81 AromaticContact CE2-NE2 3.92Å; Y66-H81 AromaticContact CG-CD2 3.99Å; L67-H81 CarbonylContact O-C 3.48Å; L67-H81 WeakPolarHBondContact O-CA 3.45Å; Y68-H81 HydrophobicContact CD1-CB 3.65Å; Y68-H81 HydrophobicContact CE1-CB 3.85Å; Y68-H81 HydrophobicContact CG-CB 4.43Å |
| 82 | L | 96.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.1 | 168.3 | -62.1 | 147.6 | 0 | 0 | 0 | 106.6 | F58 Y66 L67 I84 V110 T117 | F58-L82 HydrophobicContact CE1-CD1 4.06Å; Y66-L82 WeakPolarHBondContact CA-O 3.4Å; L67-L82 HydrophobicContact CB-CB 4.31Å; L67-L82 HydrophobicContact CB-CD1 4.48Å; L67-L82 HydrophobicContact CD2-CD1 3.99Å; L67-L82 HydrophobicContact CG-CD1 4.5Å; L67-L82 PolarHBondContact N-O 2.87Å; L67-L82 PolarHBondContact O-N 3.14Å; L82-I84 HydrophobicContact CB-CD1 4.09Å; L82-I84 PolarHBondContact O-N 3.41Å; L82-V110 HydrophobicContact CD2-CG1 4.35Å; L82-T117 HydrophobicContact CD2-CG2 4.12Å; L82-T117 WeakPolarHBondContact CD2-OG1 3.45Å |
| 83 | D | 95.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 22% | 0.219 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 112.6 | 173.6 | -171.6 | -20.2 | 0 | 0 | 0 | 108.3 | Y66 A85 D86 A87 S112 | Y66-D83 HydrophobicContact CD1-CB 4.22Å; Y66-D83 HydrophobicContact CE1-CB 3.9Å; D83-A85 WeakPolarHBondContact OD1-CB 3.25Å; D83-A85 PolarHBondContact OD1-N 2.88Å; D83-D86 WeakPolarHBondContact CB-OD1 3.33Å; D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.01Å; D83-A87 PolarHBondContact O-N 2.85Å; D83-S112 WeakPolarHBondContact CB-OG 3.4Å; D83-S112 PolarHBondContact N-OG 3.05Å; D83-S112 WeakPolarHBondContact O-CB 3.42Å; D83-S112 PolarHBondContact O-OG 3.37Å |
| 84 | I | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -87 | -19.9 | -176.2 | -56 | -56 | 0 | 0 | 0 | 111.3 | F60 C65 L67 L82 D86 A87 F89 L134 R138 | F60-I84 HydrophobicContact CD2-CG1 4.41Å; F60-I84 HydrophobicContact CE2-CB 4.18Å; F60-I84 HydrophobicContact CE2-CG1 4.07Å; F60-I84 HydrophobicContact CE2-CG2 4.34Å; C65-I84 WeakPolarHBondContact O-CA 3.11Å; C65-I84 VanDerWaalsContact O-CB 3.24Å; C65-I84 WeakPolarHBondContact O-CB 3.38Å; C65-I84 PolarHBondContact O-N 2.99Å; L67-I84 HydrophobicContact CB-CD1 3.8Å; L67-I84 HydrophobicContact CB-CG1 3.77Å; L67-I84 HydrophobicContact CD2-CD1 4.47Å; L82-I84 HydrophobicContact CB-CD1 4.09Å; L82-I84 PolarHBondContact O-N 3.41Å; I84-D86 VanDerWaalsContact C-N 3.32Å; I84-D86 PolarHBondContact O-N 3.48Å; I84-A87 HydrophobicContact CD1-CB 4.43Å; I84-A87 PolarHBondContact O-N 2.94Å; I84-F89 HydrophobicContact CD1-CZ 4.31Å; I84-F89 HydrophobicContact CG2-CZ 4.11Å; I84-L134 HydrophobicContact CD1-CD2 4.23Å; I84-L134 HydrophobicContact CG1-CD2 4.31Å; I84-L134 HydrophobicContact CG2-CD2 4.47Å; I84-R138 HydrophobicContact CG2-CB 4.11Å; I84-R138 VanDerWaalsContact O-CD 3.29Å; I84-R138 WeakPolarHBondContact O-CD 3.49Å; I84-R138 VanDerWaalsContact O-CG 3.31Å; I84-R138 WeakPolarHBondContact O-CG 3.24Å |
| 85 | A | 94.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 68.5 Ų | 68.5 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -64.5 | -40 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | C65 D83 R138 Y141 | C65-A85 HydrophobicContact CB-CB 4.07Å; D83-A85 WeakPolarHBondContact OD1-CB 3.25Å; D83-A85 PolarHBondContact OD1-N 2.88Å; A85-R138 PolarHBondContact O-NE 2.89Å; A85-R138 PolarHBondContact O-NH2 3.4Å; A85-Y141 HydrophobicContact CB-CD1 3.78Å; A85-Y141 HydrophobicContact CB-CE1 3.75Å |
| 86 | D | 92 | Very high | 89 | Confident | 73 Ų | 73 | 75 Ų | 75 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -94.9 | -8.5 | 177.6 | 80.2 | -18 | 0 | 0 | 0 | 114 | D83 I84 S112 A113 | D83-D86 WeakPolarHBondContact CB-OD1 3.33Å; I84-D86 VanDerWaalsContact C-N 3.32Å; I84-D86 PolarHBondContact O-N 3.48Å; D86-S112 PolarHBondContact OD1-OG 3.14Å; D86-A113 PolarHBondContact OD2-N 2.84Å |
| 87 | A | 96.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -68.1 | 136.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D83 I84 F89 V110 H111 R138 | D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.01Å; D83-A87 PolarHBondContact O-N 2.85Å; I84-A87 HydrophobicContact CD1-CB 4.43Å; I84-A87 PolarHBondContact O-N 2.94Å; A87-F89 HydrophobicContact CB-CE1 4.47Å; A87-F89 HydrophobicContact CB-CE2 4.35Å; A87-F89 HydrophobicContact CB-CZ 3.99Å; A87-V110 HydrophobicContact CB-CG1 3.89Å; A87-H111 CarbonylContact C-O 3.52Å; A87-H111 WeakPolarHBondContact CA-O 3.36Å; A87-R138 PolarHBondContact O-NH1 2.93Å | ||
| 88 | C | 94.9 | Very high | 86.4 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.6 | 164 | -68.7 | 0 | 0 | 0 | 0 | 111 | H111 | C88-H111 HydrophobicContact CB-CB 4.28Å; C88-H111 PolarHBondContact N-O 2.99Å; C88-H111 PolarHBondContact O-N 3.49Å |
| 89 | F | 95.9 | Very high | 85.1 | Confident | 40 Ų | 40 | 74.4 Ų | 74.4 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.1 | -179.5 | -56.3 | -79.7 | 0 | 0 | 0 | 110.6 | I84 A87 Q109 V110 L131 L134 Q135 | I84-F89 HydrophobicContact CD1-CZ 4.31Å; I84-F89 HydrophobicContact CG2-CZ 4.11Å; A87-F89 HydrophobicContact CB-CE1 4.47Å; A87-F89 HydrophobicContact CB-CE2 4.35Å; A87-F89 HydrophobicContact CB-CZ 3.99Å; F89-Q109 WeakPolarHBondContact CA-O 3.35Å; F89-V110 HydrophobicContact CD1-CB 4.45Å; F89-V110 HydrophobicContact CD1-CG1 4.27Å; F89-V110 HydrophobicContact CD1-CG2 3.92Å; F89-V110 HydrophobicContact CE1-CB 4.36Å; F89-V110 HydrophobicContact CE1-CG1 3.8Å; F89-V110 HydrophobicContact CE1-CG2 3.86Å; F89-L131 HydrophobicContact CB-CD2 3.75Å; F89-L131 HydrophobicContact CD1-CD2 4.18Å; F89-L131 HydrophobicContact CG-CD2 4.15Å; F89-L134 HydrophobicContact CE1-CB 3.97Å; F89-L134 HydrophobicContact CE1-CD1 3.77Å; F89-L134 HydrophobicContact CE1-CG 4.47Å; F89-L134 HydrophobicContact CE2-CB 4.17Å; F89-L134 HydrophobicContact CZ-CB 3.59Å; F89-L134 HydrophobicContact CZ-CD1 4.21Å; F89-L134 HydrophobicContact CZ-CG 4.45Å; F89-Q135 HydrophobicContact CD2-CG 3.81Å; F89-Q135 HydrophobicContact CE2-CG 4.19Å |
| 90 | S | 94 | Very high | 83.6 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.6 | 172.1 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | F108 Q109 H111 | S90-F108 CarbonylContact O-C 3.58Å; S90-F108 WeakPolarHBondContact O-CA 3.24Å; S90-Q109 PolarHBondContact N-O 3.12Å; S90-Q109 PolarHBondContact O-N 2.81Å; S90-Q109 WeakPolarHBondContact OG-CB 3.31Å; S90-H111 PolarHBondContact OG-NE2 3.45Å |
| 91 | Y | 91.8 | Very high | 82.3 | Confident | 142 Ų | 142 | 79.6 Ų | 79.6 | 56% | 0.557 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.1 | 174.4 | 68 | -82.9 | 0 | 0 | 0 | 108.7 | G93 M127 L131 | Y91-G93 PolarHBondContact O-N 2.8Å; Y91-M127 HydrophobicContact CD2-CE 4.18Å; Y91-L131 HydrophobicContact CD1-CD1 3.72Å; Y91-L131 HydrophobicContact CE1-CD1 4.24Å; Y91-L131 HydrophobicContact CG-CD1 4.07Å |
| 92 | Q | 84.6 | Confident | 81 | Confident | 121 Ų | 121 | 77.9 Ų | 77.9 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | trans | -79.7 | 123.7 | 174.2 | -165.6 | 153.1 | -8.3 | 0 | 0 | 108.4 | P105 | Q92-P105 HydrophobicContact CB-CB 4.48Å; Q92-P105 HydrophobicContact CB-CG 4.4Å; Q92-P105 WeakPolarHBondContact O-CG 3.44Å | ||
| 93 | G | 71.8 | Confident | 79.8 | Confident | 41 Ų | 41 | 84.7 Ų | 84.7 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | trans | -60 | 163.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y91 D95 | Y91-G93 PolarHBondContact O-N 2.8Å; G93-D95 PolarHBondContact O-N 3.39Å | ||
| 94 | R | 68.4 | Low | 78.9 | Confident | 184 Ų | 184 | 85.2 Ų | 85.2 | 69% | 0.694 | 49% | 0.492 | S | S | * | . | trans | -57.5 | 114.6 | 167.9 | -175.4 | -179.3 | -165.6 | 168.4 | 5.2 | 106.7 | E96 | R94-E96 PolarHBondContact O-N 3.04Š| ||
| 95 | D | 66 | Low | 78.2 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | trans | -72.6 | 114.5 | 176.4 | -170.3 | -6.2 | 0 | 0 | 0 | 107.3 | G93 A97 A98 | G93-D95 PolarHBondContact O-N 3.39Å; D95-A97 PolarHBondContact O-N 3.43Å; D95-A97 WeakPolarHBondContact OD1-CB 3.41Å; D95-A97 PolarHBondContact OD1-N 2.87Å; D95-A98 HydrophobicContact CB-CB 3.85Å; D95-A98 WeakPolarHBondContact O-CB 3.08Å; D95-A98 PolarHBondContact O-N 3.35Å; D95-A98 VanDerWaalsContact O-N 3.14Å | ||
| 96 | E | 65.4 | Low | 78.1 | Confident | 195 Ų | 195 | 86.8 Ų | 86.8 | 91% | 0.911 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -16.7 | 178.2 | -60.5 | -156.9 | 156.9 | 0 | 0 | 111.8 | R94 | R94-E96 PolarHBondContact O-N 3.04Š|
| 97 | A | 64.8 | Low | 78.2 | Confident | 84 Ų | 84 | 86 Ų | 86 | 69% | 0.694 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D95 | D95-A97 PolarHBondContact O-N 3.43Å; D95-A97 WeakPolarHBondContact OD1-CB 3.41Å; D95-A97 PolarHBondContact OD1-N 2.87Å |
| 98 | A | 64 | Low | 78.2 | Confident | 45 Ų | 45 | 86 Ų | 86 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -71.7 | 140.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | D95 A102 | D95-A98 HydrophobicContact CB-CB 3.85Å; D95-A98 WeakPolarHBondContact O-CB 3.08Å; D95-A98 PolarHBondContact O-N 3.35Å; D95-A98 VanDerWaalsContact O-N 3.14Å; A98-A102 HydrophobicContact CB-CB 4.38Å |
| 99 | E | 69.7 | Low | 78.3 | Confident | 156 Ų | 156 | 85.7 Ų | 85.7 | 73% | 0.729 | 49% | 0.485 | S | S | * | . | trans | -46.9 | 132.4 | 179.5 | -65.8 | -65.9 | 116.8 | 0 | 0 | 111.3 | G101 A102 | E99-G101 PolarHBondContact O-N 2.68Å; E99-A102 PolarHBondContact O-N 3Å | ||
| 100 | P | 63 | Low | 78.4 | Confident | 135 Ų | 135 | 83.8 Ų | 83.8 | 88% | 0.877 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 101.1 | 176.4 | 23 | -30.4 | 0 | 0 | 0 | 109.5 | ||
| 101 | G | 68.1 | Low | 78.5 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 81% | 0.814 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129 | -9.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E99 D103 | E99-G101 PolarHBondContact O-N 2.68Å; G101-D103 PolarHBondContact O-N 3.1Å |
| 102 | A | 68.4 | Low | 78.6 | Confident | 61 Ų | 61 | 78.6 Ų | 78.6 | 50% | 0.504 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 130 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A98 E99 | A98-A102 HydrophobicContact CB-CB 4.38Å; E99-A102 PolarHBondContact O-N 3Å |
| 103 | D | 70.8 | Confident | 78.8 | Confident | 153 Ų | 153 | 76.8 Ų | 76.8 | 82% | 0.818 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 131.9 | 174.9 | -75.9 | -41.4 | 0 | 0 | 0 | 109.8 | G101 | G101-D103 PolarHBondContact O-N 3.1Š|
| 104 | P | 76.7 | Confident | 79.5 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 34% | 0.338 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 147.5 | 179.6 | 25.9 | -33.7 | 0 | 0 | 0 | 110.3 | T106 R124 | P104-T106 WeakPolarHBondContact O-CG2 3.29Å; P104-T106 PolarHBondContact O-N 3.41Å; P104-T106 VanDerWaalsContact O-N 3.12Å; P104-R124 HydrophobicContact CG-CB 4.4Å |
| 105 | P | 82 | Confident | 80.6 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 21% | 0.214 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -60 | 122.3 | 177.3 | 24.1 | -32.3 | 0 | 0 | 0 | 109.9 | Q92 | Q92-P105 HydrophobicContact CB-CB 4.48Å; Q92-P105 HydrophobicContact CB-CG 4.4Å; Q92-P105 WeakPolarHBondContact O-CG 3.44Å |
| 106 | T | 91.8 | Very high | 82 | Confident | 23 Ų | 23 | 72.8 Ų | 72.8 | 14% | 0.141 | 47% | 0.474 | C | S | . | . | trans | -105 | 18.8 | 176.9 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | P104 K120 A121 | P104-T106 WeakPolarHBondContact O-CG2 3.29Å; P104-T106 PolarHBondContact O-N 3.41Å; P104-T106 VanDerWaalsContact O-N 3.12Å; T106-K120 WeakPolarHBondContact O-CA 3.32Å; T106-K120 VanDerWaalsContact OG1-CE 3.29Å; T106-K120 WeakPolarHBondContact OG1-CE 3.26Å; T106-A121 WeakPolarHBondContact CB-O 3.17Å; T106-A121 PolarHBondContact O-N 3.4Å; T106-A121 PolarHBondContact OG1-O 3.34Å; T106-A121 VanDerWaalsContact OG1-O 3.1Å | ||
| 107 | H | 94.1 | Very high | 83.5 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 26% | 0.264 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 148.7 | -178.4 | 73 | -80.2 | 0 | 0 | 0 | 111.9 | L119 K120 | H107-L119 CarbonylContact C-O 3.52Å; H107-L119 WeakPolarHBondContact CA-O 3.39Å; H107-L119 WeakPolarHBondContact CB-O 3.37Å; H107-K120 HydrophobicContact CB-CB 3.95Å; H107-K120 HydrophobicContact CB-CG 4.29Å |
| 108 | F | 95.9 | Very high | 85 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 162.5 | 179.3 | 66 | -79 | 0 | 0 | 0 | 109.7 | L41 S90 V110 L119 M127 W130 L131 L134 | L41-F108 HydrophobicContact CD1-CE1 4.39Å; L41-F108 HydrophobicContact CD1-CZ 4.06Å; S90-F108 CarbonylContact O-C 3.58Å; S90-F108 WeakPolarHBondContact O-CA 3.24Å; F108-V110 HydrophobicContact CD2-CG2 4.01Å; F108-V110 HydrophobicContact CE2-CG2 3.73Å; F108-L119 HydrophobicContact CD1-CB 4.14Å; F108-L119 WeakPolarHBondContact CD1-O 3.35Å; F108-L119 HydrophobicContact CD2-CB 4.48Å; F108-L119 HydrophobicContact CE1-CB 3.67Å; F108-L119 HydrophobicContact CE2-CB 4.03Å; F108-L119 HydrophobicContact CE2-CD1 3.8Å; F108-L119 HydrophobicContact CE2-CG 4.37Å; F108-L119 HydrophobicContact CZ-CB 3.62Å; F108-L119 HydrophobicContact CZ-CD1 3.66Å; F108-L119 HydrophobicContact CZ-CG 4.22Å; F108-L119 PolarHBondContact N-O 3.25Å; F108-L119 PolarHBondContact O-N 3.29Å; F108-L119 VanDerWaalsContact O-O 3.07Å; F108-M127 HydrophobicContact CB-CG 4.43Å; F108-M127 HydrophobicContact CD1-CG 3.76Å; F108-M127 HydrophobicContact CE1-CG 4.45Å; F108-M127 HydrophobicContact CG-CG 4.44Å; F108-W130 HydrophobicContact CZ-CB 4.25Å; F108-L131 HydrophobicContact CB-CD1 4.29Å; F108-L131 HydrophobicContact CB-CD2 4.06Å; F108-L131 HydrophobicContact CB-CG 4.43Å; F108-L131 HydrophobicContact CD2-CD2 3.7Å; F108-L131 HydrophobicContact CD2-CG 4.35Å; F108-L131 HydrophobicContact CE2-CD2 4.33Å; F108-L131 HydrophobicContact CG-CD2 4Å; F108-L131 HydrophobicContact CG-CG 4.31Å; F108-L134 HydrophobicContact CE2-CD1 4.41Å |
| 109 | Q | 96.9 | Very high | 86.5 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.8 | -179.8 | -48.4 | -178.4 | 2.9 | 0 | 0 | 109.4 | F89 S90 H111 V116 T117 V118 | F89-Q109 WeakPolarHBondContact CA-O 3.35Å; S90-Q109 PolarHBondContact N-O 3.12Å; S90-Q109 PolarHBondContact O-N 2.81Å; S90-Q109 WeakPolarHBondContact OG-CB 3.31Å; Q109-H111 PolarHBondContact OE1-NE2 2.96Å; Q109-H111 VanDerWaalsContact OE1-NE2 3.11Å; Q109-V116 HydrophobicContact CB-CG1 4.04Å; Q109-T117 CarbonylContact C-O 3.56Å; Q109-T117 WeakPolarHBondContact CA-O 3.14Å; Q109-V118 HydrophobicContact CG-CG2 4.25Å |
| 110 | V | 97.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116.1 | 172.9 | -172 | 0 | 0 | 0 | 0 | 107.2 | L82 A87 F89 F108 T117 L119 | L82-V110 HydrophobicContact CD2-CG1 4.35Å; A87-V110 HydrophobicContact CB-CG1 3.89Å; F89-V110 HydrophobicContact CD1-CB 4.45Å; F89-V110 HydrophobicContact CD1-CG1 4.27Å; F89-V110 HydrophobicContact CD1-CG2 3.92Å; F89-V110 HydrophobicContact CE1-CB 4.36Å; F89-V110 HydrophobicContact CE1-CG1 3.8Å; F89-V110 HydrophobicContact CE1-CG2 3.86Å; F108-V110 HydrophobicContact CD2-CG2 4.01Å; F108-V110 HydrophobicContact CE2-CG2 3.73Å; V110-T117 PolarHBondContact N-O 3.15Å; V110-T117 PolarHBondContact O-N 3.32Å; V110-L119 HydrophobicContact CG2-CD1 3.96Å; V110-L119 HydrophobicContact CG2-CG 4.48Å |
| 111 | H | 96.8 | Very high | 89.3 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 107.9 | 178.2 | -64.1 | -109.3 | 0 | 0 | 0 | 107.6 | A87 C88 S90 Q109 A115 V116 | A87-H111 CarbonylContact C-O 3.52Å; A87-H111 WeakPolarHBondContact CA-O 3.36Å; C88-H111 HydrophobicContact CB-CB 4.28Å; C88-H111 PolarHBondContact N-O 2.99Å; C88-H111 PolarHBondContact O-N 3.49Å; S90-H111 PolarHBondContact OG-NE2 3.45Å; Q109-H111 PolarHBondContact OE1-NE2 2.96Å; Q109-H111 VanDerWaalsContact OE1-NE2 3.11Å; H111-A115 WeakPolarHBondContact CA-O 3.36Å; H111-V116 VanDerWaalsContact ND1-CG2 3.32Å; H111-V116 WeakPolarHBondContact ND1-CG2 3.42Å |
| 112 | S | 94.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 144.8 | -176.2 | 168.9 | 0 | 0 | 0 | 0 | 109.8 | D83 D86 G114 A115 | D83-S112 WeakPolarHBondContact CB-OG 3.4Å; D83-S112 PolarHBondContact N-OG 3.05Å; D83-S112 WeakPolarHBondContact O-CB 3.42Å; D83-S112 PolarHBondContact O-OG 3.37Å; D86-S112 PolarHBondContact OD1-OG 3.14Å; S112-G114 PolarHBondContact O-N 3Å; S112-A115 PolarHBondContact N-O 2.85Å; S112-A115 PolarHBondContact O-N 3.41Å; S112-A115 VanDerWaalsContact O-O 3.11Å |
| 113 | A | 88.9 | Confident | 91.4 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 69% | 0.686 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 34 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D86 A115 | D86-A113 PolarHBondContact OD2-N 2.84Å; A113-A115 VanDerWaalsContact C-N 3.28Å; A113-A115 PolarHBondContact O-N 2.93Å |
| 114 | G | 86.2 | Confident | 92.3 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 95% | 0.948 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 8.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S112 | S112-G114 PolarHBondContact O-N 3Š|
| 115 | A | 91.3 | Very high | 93 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H111 S112 A113 | H111-A115 WeakPolarHBondContact CA-O 3.36Å; S112-A115 PolarHBondContact N-O 2.85Å; S112-A115 PolarHBondContact O-N 3.41Å; S112-A115 VanDerWaalsContact O-O 3.11Å; A113-A115 VanDerWaalsContact C-N 3.28Å; A113-A115 PolarHBondContact O-N 2.93Å |
| 116 | V | 95.3 | Very high | 93.5 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.8 | 176.4 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | Q109 H111 | Q109-V116 HydrophobicContact CB-CG1 4.04Å; H111-V116 VanDerWaalsContact ND1-CG2 3.32Å; H111-V116 WeakPolarHBondContact ND1-CG2 3.42Å |
| 117 | T | 95.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.7 | 173.9 | -65.7 | 0 | 0 | 0 | 0 | 110 | K43 L82 Q109 V110 L119 | K43-T117 HydrophobicContact CD-CG2 4.17Å; K43-T117 HydrophobicContact CG-CG2 3.97Å; L82-T117 HydrophobicContact CD2-CG2 4.12Å; L82-T117 WeakPolarHBondContact CD2-OG1 3.45Å; Q109-T117 CarbonylContact C-O 3.56Å; Q109-T117 WeakPolarHBondContact CA-O 3.14Å; V110-T117 PolarHBondContact N-O 3.15Å; V110-T117 PolarHBondContact O-N 3.32Å; T117-L119 HydrophobicContact CG2-CD2 3.7Å; T117-L119 HydrophobicContact CG2-CG 4.09Å |
| 118 | V | 96.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.8 | 175.6 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | L44 Y53 Q109 | L44-V118 HydrophobicContact CB-CB 3.87Å; L44-V118 HydrophobicContact CD2-CB 3.91Å; L44-V118 HydrophobicContact CD2-CG1 4.36Å; L44-V118 HydrophobicContact CD2-CG2 4.04Å; L44-V118 PolarHBondContact N-O 3.26Å; Y53-V118 HydrophobicContact CE1-CG1 4.45Å; Q109-V118 HydrophobicContact CG-CG2 4.25Å |
| 119 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.2 | 178.9 | -59.3 | -176.8 | 0 | 0 | 0 | 109.7 | L41 Q42 K43 F58 H107 F108 V110 T117 | L41-L119 HydrophobicContact CD1-CD1 4.1Å; Q42-L119 CarbonylContact O-C 3.52Å; Q42-L119 WeakPolarHBondContact O-CA 3.32Å; K43-L119 HydrophobicContact CB-CD2 3.83Å; K43-L119 HydrophobicContact CG-CD2 3.82Å; F58-L119 HydrophobicContact CE1-CD1 4.24Å; F58-L119 HydrophobicContact CE1-CD2 4.08Å; F58-L119 HydrophobicContact CE2-CD2 4.24Å; F58-L119 HydrophobicContact CZ-CD1 4.33Å; F58-L119 HydrophobicContact CZ-CD2 3.5Å; F58-L119 VanDerWaalsContact CZ-CD2 3.5Å; H107-L119 CarbonylContact C-O 3.52Å; H107-L119 WeakPolarHBondContact CA-O 3.39Å; H107-L119 WeakPolarHBondContact CB-O 3.37Å; F108-L119 HydrophobicContact CD1-CB 4.14Å; F108-L119 WeakPolarHBondContact CD1-O 3.35Å; F108-L119 HydrophobicContact CD2-CB 4.48Å; F108-L119 HydrophobicContact CE1-CB 3.67Å; F108-L119 HydrophobicContact CE2-CB 4.03Å; F108-L119 HydrophobicContact CE2-CD1 3.8Å; F108-L119 HydrophobicContact CE2-CG 4.37Å; F108-L119 HydrophobicContact CZ-CB 3.62Å; F108-L119 HydrophobicContact CZ-CD1 3.66Å; F108-L119 HydrophobicContact CZ-CG 4.22Å; F108-L119 PolarHBondContact N-O 3.25Å; F108-L119 PolarHBondContact O-N 3.29Å; F108-L119 VanDerWaalsContact O-O 3.07Å; V110-L119 HydrophobicContact CG2-CD1 3.96Å; V110-L119 HydrophobicContact CG2-CG 4.48Å; T117-L119 HydrophobicContact CG2-CD2 3.7Å; T117-L119 HydrophobicContact CG2-CG 4.09Å |
| 120 | K | 95.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130 | 175.8 | 176.5 | 178.8 | 179.2 | -175 | 0 | 109.7 | Q42 Y53 T106 H107 | Q42-K120 HydrophobicContact CB-CB 4.03Å; Q42-K120 WeakPolarHBondContact CB-O 3.41Å; Q42-K120 PolarHBondContact N-O 3.4Å; Q42-K120 PolarHBondContact O-N 2.95Å; Y53-K120 HydrophobicContact CD1-CB 3.98Å; Y53-K120 HydrophobicContact CE1-CB 3.56Å; Y53-K120 HydrophobicContact CE2-CD 4.45Å; T106-K120 WeakPolarHBondContact O-CA 3.32Å; T106-K120 VanDerWaalsContact OG1-CE 3.29Å; T106-K120 WeakPolarHBondContact OG1-CE 3.26Å; H107-K120 HydrophobicContact CB-CB 3.95Å; H107-K120 HydrophobicContact CB-CG 4.29Å |
| 121 | A | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | trans | -92.8 | 158.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L41 T106 N123 L126 M127 | L41-A121 HydrophobicContact CD2-CB 3.91Å; T106-A121 WeakPolarHBondContact CB-O 3.17Å; T106-A121 PolarHBondContact O-N 3.4Å; T106-A121 PolarHBondContact OG1-O 3.34Å; T106-A121 VanDerWaalsContact OG1-O 3.1Å; A121-N123 VanDerWaalsContact C-N 3.28Å; A121-N123 PolarHBondContact O-N 3.39Å; A121-L126 HydrophobicContact CB-CB 4.18Å; A121-L126 HydrophobicContact CB-CD2 4.41Å; A121-M127 HydrophobicContact CB-CB 3.81Å | ||
| 122 | P | 90.6 | Very high | 93.3 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -60.5 | -35.9 | 175.7 | -21.8 | 34.8 | 0 | 0 | 0 | 113.1 | L126 | P122-L126 HydrophobicContact CG-CD2 3.91Š|
| 123 | N | 90.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -143.6 | 171.3 | 179.1 | 64 | 30.6 | 0 | 0 | 0 | 111 | A121 E125 L126 M127 | A121-N123 VanDerWaalsContact C-N 3.28Å; A121-N123 PolarHBondContact O-N 3.39Å; N123-E125 PolarHBondContact OD1-N 2.82Å; N123-L126 WeakPolarHBondContact OD1-CB 3.12Å; N123-L126 PolarHBondContact OD1-N 2.97Å; N123-M127 PolarHBondContact O-N 3.36Å |
| 124 | R | 90.1 | Very high | 93.7 | Very high | 113 Ų | 113 | 46.6 Ų | 46.6 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | -178.3 | -177.4 | -178.8 | 173.2 | -172.6 | -3.6 | 112.7 | P104 M127 T128 | P104-R124 HydrophobicContact CG-CB 4.4Å; R124-M127 HydrophobicContact CG-CE 4.34Å; R124-M127 WeakPolarHBondContact O-CB 3.4Å; R124-M127 PolarHBondContact O-N 3.1Å; R124-T128 WeakPolarHBondContact O-CB 3.36Å; R124-T128 PolarHBondContact O-N 3.48Å; R124-T128 PolarHBondContact O-OG1 3.39Å |
| 125 | E | 91.8 | Very high | 94.2 | Very high | 134 Ų | 134 | 47.2 Ų | 47.2 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.4 | -49.5 | 178.7 | -67.3 | 169.6 | -173.4 | 0 | 0 | 110.5 | N123 M127 T128 Y129 | N123-E125 PolarHBondContact OD1-N 2.82Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.94Å; E125-T128 PolarHBondContact O-N 2.84Å; E125-T128 VanDerWaalsContact O-N 3.15Å; E125-Y129 WeakPolarHBondContact O-CB 3.38Å; E125-Y129 PolarHBondContact O-N 3.26Å |
| 126 | L | 92.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.7 | -158.3 | 78.4 | 0 | 0 | 0 | 111.4 | A121 P122 N123 T128 Y129 W130 P195 L198 V199 | A121-L126 HydrophobicContact CB-CB 4.18Å; A121-L126 HydrophobicContact CB-CD2 4.41Å; P122-L126 HydrophobicContact CG-CD2 3.91Å; N123-L126 WeakPolarHBondContact OD1-CB 3.12Å; N123-L126 PolarHBondContact OD1-N 2.97Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.03Å; L126-Y129 PolarHBondContact O-N 3.45Å; L126-W130 PolarHBondContact O-N 3.38Å; L126-P195 HydrophobicContact CD1-CB 4.42Å; L126-P195 HydrophobicContact CD1-CG 4.4Å; L126-L198 HydrophobicContact CD1-CB 3.67Å; L126-L198 HydrophobicContact CD1-CD1 4.44Å; L126-L198 HydrophobicContact CD2-CB 4.43Å; L126-V199 HydrophobicContact CD1-CG2 3.33Å; L126-V199 HydrophobicContact CG-CG2 4.35Å |
| 127 | M | 94.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -48.9 | 173.4 | -178.4 | -171.3 | 78 | 0 | 0 | 111.1 | Y91 F108 A121 N123 R124 E125 W130 L131 | Y91-M127 HydrophobicContact CD2-CE 4.18Å; F108-M127 HydrophobicContact CB-CG 4.43Å; F108-M127 HydrophobicContact CD1-CG 3.76Å; F108-M127 HydrophobicContact CE1-CG 4.45Å; F108-M127 HydrophobicContact CG-CG 4.44Å; A121-M127 HydrophobicContact CB-CB 3.81Å; N123-M127 PolarHBondContact O-N 3.36Å; R124-M127 HydrophobicContact CG-CE 4.34Å; R124-M127 WeakPolarHBondContact O-CB 3.4Å; R124-M127 PolarHBondContact O-N 3.1Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.94Å; M127-W130 PolarHBondContact O-N 2.95Å; M127-L131 HydrophobicContact CE-CD1 4.45Å; M127-L131 HydrophobicContact CG-CD1 4.13Å; M127-L131 WeakPolarHBondContact O-CG 3.15Å; M127-L131 PolarHBondContact O-N 3.15Å |
| 128 | T | 93.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.8 | -42.3 | -177.4 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | R124 E125 L126 L131 Q132 | R124-T128 WeakPolarHBondContact O-CB 3.36Å; R124-T128 PolarHBondContact O-N 3.48Å; R124-T128 PolarHBondContact O-OG1 3.39Å; E125-T128 PolarHBondContact O-N 2.84Å; E125-T128 VanDerWaalsContact O-N 3.15Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.03Å; T128-L131 PolarHBondContact O-N 2.94Å; T128-Q132 HydrophobicContact CG2-CG 4.44Å; T128-Q132 WeakPolarHBondContact O-CB 3.3Å; T128-Q132 VanDerWaalsContact O-CG 3.3Å; T128-Q132 WeakPolarHBondContact O-CG 3.21Å; T128-Q132 PolarHBondContact O-N 3.43Å |
| 129 | Y | 94.6 | Very high | 94 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 15% | 0.153 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -49.4 | 174.6 | 172.3 | -90.1 | 0 | 0 | 0 | 111.9 | L37 E125 L126 L131 Q132 E133 A194 V199 | L37-Y129 HydrophobicContact CD1-CE1 3.69Å; E125-Y129 WeakPolarHBondContact O-CB 3.38Å; E125-Y129 PolarHBondContact O-N 3.26Å; L126-Y129 PolarHBondContact O-N 3.45Å; Y129-L131 VanDerWaalsContact C-N 3.32Å; Y129-L131 PolarHBondContact O-N 3.44Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Y129-E133 HydrophobicContact CD1-CG 4.4Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.85Å; Y129-E133 HydrophobicContact CE2-CG 3.77Å; Y129-E133 WeakPolarHBondContact O-CB 3.38Å; Y129-E133 WeakPolarHBondContact O-CG 3.35Å; Y129-E133 PolarHBondContact O-N 3.17Å; Y129-A194 HydrophobicContact CE2-CB 4.37Å; Y129-V199 HydrophobicContact CD1-CG1 4.46Å; Y129-V199 HydrophobicContact CD1-CG2 3.86Å; Y129-V199 HydrophobicContact CE1-CB 4Å; Y129-V199 HydrophobicContact CE1-CG1 3.52Å; Y129-V199 HydrophobicContact CE1-CG2 3.69Å |
| 130 | W | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.5 | -87 | 102.4 | 0 | 0 | 0 | 112.1 | L37 L41 F58 L67 F108 L126 M127 L134 | L37-W130 HydrophobicContact CD1-CD2 4.26Å; L37-W130 HydrophobicContact CD1-CE3 3.85Å; L37-W130 HydrophobicContact CD1-CH2 4.1Å; L37-W130 HydrophobicContact CD1-CZ2 4.49Å; L37-W130 HydrophobicContact CD1-CZ3 3.77Å; L37-W130 HydrophobicContact CD2-CE3 3.92Å; L37-W130 HydrophobicContact CD2-CZ3 3.71Å; L37-W130 HydrophobicContact CG-CE3 3.96Å; L37-W130 HydrophobicContact CG-CH2 3.98Å; L37-W130 HydrophobicContact CG-CZ3 3.48Å; L37-W130 VanDerWaalsContact CG-CZ3 3.48Å; L41-W130 HydrophobicContact CD1-CD2 3.81Å; L41-W130 HydrophobicContact CD1-CE3 4.26Å; L41-W130 HydrophobicContact CD1-CG 4.07Å; L41-W130 HydrophobicContact CD1-CZ2 4.17Å; L41-W130 HydrophobicContact CD2-CG 4.4Å; L41-W130 HydrophobicContact CG-CD2 4.49Å; L41-W130 HydrophobicContact CG-CZ2 4.32Å; F58-W130 HydrophobicContact CB-CH2 3.86Å; F58-W130 HydrophobicContact CB-CZ2 4.44Å; F58-W130 HydrophobicContact CB-CZ3 4.49Å; L67-W130 HydrophobicContact CD1-CH2 4.44Å; L67-W130 HydrophobicContact CD1-CZ3 3.88Å; L67-W130 HydrophobicContact CD2-CZ3 4.43Å; F108-W130 HydrophobicContact CZ-CB 4.25Å; L126-W130 PolarHBondContact O-N 3.38Å; M127-W130 PolarHBondContact O-N 2.95Å; W130-L134 HydrophobicContact CE3-CD1 4.16Å; W130-L134 HydrophobicContact CE3-CG 4.25Å; W130-L134 VanDerWaalsContact O-CB 3.3Å; W130-L134 WeakPolarHBondContact O-CB 3.15Å; W130-L134 WeakPolarHBondContact O-CD1 3.45Å; W130-L134 WeakPolarHBondContact O-CG 3.45Å; W130-L134 PolarHBondContact O-N 3.39Å |
| 131 | L | 95.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 177.5 | -74.5 | 168.6 | 0 | 0 | 0 | 111.7 | F89 Y91 F108 M127 T128 Y129 Q135 | F89-L131 HydrophobicContact CB-CD2 3.75Å; F89-L131 HydrophobicContact CD1-CD2 4.18Å; F89-L131 HydrophobicContact CG-CD2 4.15Å; Y91-L131 HydrophobicContact CD1-CD1 3.72Å; Y91-L131 HydrophobicContact CE1-CD1 4.24Å; Y91-L131 HydrophobicContact CG-CD1 4.07Å; F108-L131 HydrophobicContact CB-CD1 4.29Å; F108-L131 HydrophobicContact CB-CD2 4.06Å; F108-L131 HydrophobicContact CB-CG 4.43Å; F108-L131 HydrophobicContact CD2-CD2 3.7Å; F108-L131 HydrophobicContact CD2-CG 4.35Å; F108-L131 HydrophobicContact CE2-CD2 4.33Å; F108-L131 HydrophobicContact CG-CD2 4Å; F108-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 HydrophobicContact CE-CD1 4.45Å; M127-L131 HydrophobicContact CG-CD1 4.13Å; M127-L131 WeakPolarHBondContact O-CG 3.15Å; M127-L131 PolarHBondContact O-N 3.15Å; T128-L131 PolarHBondContact O-N 2.94Å; Y129-L131 VanDerWaalsContact C-N 3.32Å; Y129-L131 PolarHBondContact O-N 3.44Å; L131-Q135 WeakPolarHBondContact O-CB 3.5Å; L131-Q135 WeakPolarHBondContact O-CG 3.38Å; L131-Q135 PolarHBondContact O-N 2.77Å; L131-Q135 VanDerWaalsContact O-N 3.1Å; L131-Q135 PolarHBondContact O-NE2 3.05Å |
| 132 | Q | 95.3 | Very high | 93.4 | Very high | 110 Ų | 110 | 60.7 Ų | 60.7 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 178.8 | -73.9 | 173 | 0.1 | 0 | 0 | 110.8 | T128 Y129 L134 Q135 Q136 | T128-Q132 HydrophobicContact CG2-CG 4.44Å; T128-Q132 WeakPolarHBondContact O-CB 3.3Å; T128-Q132 VanDerWaalsContact O-CG 3.3Å; T128-Q132 WeakPolarHBondContact O-CG 3.21Å; T128-Q132 PolarHBondContact O-N 3.43Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Q132-L134 PolarHBondContact O-N 2.78Å; Q132-Q135 PolarHBondContact O-N 3.25Å; Q132-Q136 VanDerWaalsContact O-CB 3.29Å; Q132-Q136 WeakPolarHBondContact O-CB 3.35Å; Q132-Q136 PolarHBondContact O-N 3.43Å |
| 133 | E | 95.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 60.6 Ų | 60.6 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | -179.3 | -75.9 | -68.5 | 114.5 | 0 | 0 | 112.3 | L37 Y129 Q135 Q136 K137 | L37-E133 HydrophobicContact CD1-CB 3.86Å; L37-E133 HydrophobicContact CD1-CG 4.07Å; L37-E133 HydrophobicContact CD2-CB 3.77Å; L37-E133 HydrophobicContact CG-CB 4.4Å; Y129-E133 HydrophobicContact CD1-CG 4.4Å; Y129-E133 HydrophobicContact CD2-CG 4.3Å; Y129-E133 HydrophobicContact CE1-CG 3.85Å; Y129-E133 HydrophobicContact CE2-CG 3.77Å; Y129-E133 WeakPolarHBondContact O-CB 3.38Å; Y129-E133 WeakPolarHBondContact O-CG 3.35Å; Y129-E133 PolarHBondContact O-N 3.17Å; E133-Q135 PolarHBondContact O-N 3.41Å; E133-Q136 PolarHBondContact O-N 3.24Å; E133-K137 WeakPolarHBondContact O-CB 3.5Å; E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 2.9Å |
| 134 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 179.6 | -69.2 | 171.4 | 0 | 0 | 0 | 112.1 | L37 F60 L67 I84 F89 F108 W130 Q132 R138 | L37-L134 HydrophobicContact CD2-CD2 3.76Å; L37-L134 HydrophobicContact CD2-CG 4.15Å; F60-L134 HydrophobicContact CD2-CD2 4.31Å; L67-L134 HydrophobicContact CD1-CD2 4.32Å; L67-L134 HydrophobicContact CD2-CD1 4.29Å; L67-L134 HydrophobicContact CD2-CD2 4.07Å; I84-L134 HydrophobicContact CD1-CD2 4.23Å; I84-L134 HydrophobicContact CG1-CD2 4.31Å; I84-L134 HydrophobicContact CG2-CD2 4.47Å; F89-L134 HydrophobicContact CE1-CB 3.97Å; F89-L134 HydrophobicContact CE1-CD1 3.77Å; F89-L134 HydrophobicContact CE1-CG 4.47Å; F89-L134 HydrophobicContact CE2-CB 4.17Å; F89-L134 HydrophobicContact CZ-CB 3.59Å; F89-L134 HydrophobicContact CZ-CD1 4.21Å; F89-L134 HydrophobicContact CZ-CG 4.45Å; F108-L134 HydrophobicContact CE2-CD1 4.41Å; W130-L134 HydrophobicContact CE3-CD1 4.16Å; W130-L134 HydrophobicContact CE3-CG 4.25Å; W130-L134 VanDerWaalsContact O-CB 3.3Å; W130-L134 WeakPolarHBondContact O-CB 3.15Å; W130-L134 WeakPolarHBondContact O-CD1 3.45Å; W130-L134 WeakPolarHBondContact O-CG 3.45Å; W130-L134 PolarHBondContact O-N 3.39Å; Q132-L134 PolarHBondContact O-N 2.78Å; L134-R138 WeakPolarHBondContact O-CB 3.37Å; L134-R138 PolarHBondContact O-N 3.4Å |
| 135 | Q | 95.7 | Very high | 92.6 | Very high | 105 Ų | 105 | 59.7 Ų | 59.7 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.5 | -74.5 | 172.6 | 94 | 0 | 0 | 111.3 | F89 L131 Q132 E133 R138 W139 | F89-Q135 HydrophobicContact CD2-CG 3.81Å; F89-Q135 HydrophobicContact CE2-CG 4.19Å; L131-Q135 WeakPolarHBondContact O-CB 3.5Å; L131-Q135 WeakPolarHBondContact O-CG 3.38Å; L131-Q135 PolarHBondContact O-N 2.77Å; L131-Q135 VanDerWaalsContact O-N 3.1Å; L131-Q135 PolarHBondContact O-NE2 3.05Å; Q132-Q135 PolarHBondContact O-N 3.25Å; E133-Q135 PolarHBondContact O-N 3.41Å; Q135-R138 PolarHBondContact O-N 3.02Å; Q135-W139 PolarHBondContact O-N 2.94Å |
| 136 | Q | 93.9 | Very high | 91.3 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.7 | -178.6 | 59.4 | 43.2 | 0 | 0 | 110.8 | Q132 E133 R138 W139 E140 | Q132-Q136 VanDerWaalsContact O-CB 3.29Å; Q132-Q136 WeakPolarHBondContact O-CB 3.35Å; Q132-Q136 PolarHBondContact O-N 3.43Å; E133-Q136 PolarHBondContact O-N 3.24Å; Q136-R138 PolarHBondContact O-N 3.22Å; Q136-W139 PolarHBondContact O-N 2.81Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.49Å; Q136-E140 PolarHBondContact NE2-OE1 3.03Å; Q136-E140 WeakPolarHBondContact O-CG 3.35Å; Q136-E140 PolarHBondContact O-N 2.93Å |
| 137 | K | 94.1 | Very high | 89.8 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 178.2 | -68 | -67.3 | 158.5 | -148.9 | 0 | 113 | F60 E133 E140 Y141 | F60-K137 HydrophobicContact CD1-CD 4.09Å; F60-K137 HydrophobicContact CD1-CG 4.08Å; F60-K137 HydrophobicContact CE1-CB 3.73Å; F60-K137 HydrophobicContact CE1-CD 3.61Å; F60-K137 HydrophobicContact CE1-CG 3.68Å; F60-K137 HydrophobicContact CE2-CB 4.08Å; F60-K137 HydrophobicContact CZ-CB 3.49Å; F60-K137 VanDerWaalsContact CZ-CB 3.49Å; F60-K137 HydrophobicContact CZ-CD 4.28Å; F60-K137 HydrophobicContact CZ-CG 3.98Å; E133-K137 WeakPolarHBondContact O-CB 3.5Å; E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 2.9Å; K137-E140 WeakPolarHBondContact CD-OE2 3.28Å; K137-E140 IonicContact NZ-OE1 3.94Å; K137-E140 IonicContact NZ-OE2 2.79Å; K137-E140 PolarHBondContact NZ-OE2 3.39Å; K137-Y141 WeakPolarHBondContact O-CB 3.2Å; K137-Y141 PolarHBondContact O-N 3.08Å |
| 138 | R | 95 | Very high | 88 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 171.9 | -177.9 | 179.9 | -176.4 | -160.7 | -2 | 111 | I84 A85 A87 L134 Q135 Q136 Y141 C142 | I84-R138 HydrophobicContact CG2-CB 4.11Å; I84-R138 VanDerWaalsContact O-CD 3.29Å; I84-R138 WeakPolarHBondContact O-CD 3.49Å; I84-R138 VanDerWaalsContact O-CG 3.31Å; I84-R138 WeakPolarHBondContact O-CG 3.24Å; A85-R138 PolarHBondContact O-NE 2.89Å; A85-R138 PolarHBondContact O-NH2 3.4Å; A87-R138 PolarHBondContact O-NH1 2.93Å; L134-R138 WeakPolarHBondContact O-CB 3.37Å; L134-R138 PolarHBondContact O-N 3.4Å; Q135-R138 PolarHBondContact O-N 3.02Å; Q136-R138 PolarHBondContact O-N 3.22Å; R138-Y141 PolarHBondContact O-N 3.37Å; R138-C142 PolarHBondContact O-N 2.74Å; R138-C142 PolarHBondContact O-SG 3.27Å; R138-C142 VanDerWaalsContact O-SG 3.39Å |
| 139 | W | 92.4 | Very high | 86.2 | Confident | 155 Ų | 155 | 72.9 Ų | 72.9 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 179.3 | 176.9 | 83.2 | 0 | 0 | 0 | 111.8 | Q135 Q136 Y141 C142 N143 | Q135-W139 PolarHBondContact O-N 2.94Å; Q136-W139 PolarHBondContact O-N 2.81Å; W139-Y141 VanDerWaalsContact C-N 3.33Å; W139-Y141 PolarHBondContact O-N 2.92Å; W139-C142 PolarHBondContact O-N 3.22Å; W139-N143 WeakPolarHBondContact O-CB 3.39Å; W139-N143 PolarHBondContact O-N 3.4Å |
| 140 | E | 93.4 | Very high | 83.9 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 34% | 0.341 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 175.9 | -74.1 | 169.6 | -173.2 | 0 | 0 | 111.9 | Q136 K137 S144 | Q136-E140 WeakPolarHBondContact CG-OE1 3.49Å; Q136-E140 PolarHBondContact NE2-OE1 3.03Å; Q136-E140 WeakPolarHBondContact O-CG 3.35Å; Q136-E140 PolarHBondContact O-N 2.93Å; K137-E140 WeakPolarHBondContact CD-OE2 3.28Å; K137-E140 IonicContact NZ-OE1 3.94Å; K137-E140 IonicContact NZ-OE2 2.79Å; K137-E140 PolarHBondContact NZ-OE2 3.39Å; E140-S144 VanDerWaalsContact O-CB 3.28Å; E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.4Å; E140-S144 PolarHBondContact O-OG 3.36Å |
| 141 | Y | 92.4 | Very high | 81.8 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66 | -49.3 | 179.3 | -174.9 | -101.5 | 0 | 0 | 0 | 112.1 | C65 A85 K137 R138 W139 N143 S144 L145 | C65-Y141 HydrophobicContact CB-CD1 3.58Å; C65-Y141 HydrophobicContact CB-CD2 3.69Å; C65-Y141 HydrophobicContact CB-CE1 3.79Å; C65-Y141 HydrophobicContact CB-CE2 3.91Å; C65-Y141 HydrophobicContact CB-CG 3.51Å; A85-Y141 HydrophobicContact CB-CD1 3.78Å; A85-Y141 HydrophobicContact CB-CE1 3.75Å; K137-Y141 WeakPolarHBondContact O-CB 3.2Å; K137-Y141 PolarHBondContact O-N 3.08Å; R138-Y141 PolarHBondContact O-N 3.37Å; W139-Y141 VanDerWaalsContact C-N 3.33Å; W139-Y141 PolarHBondContact O-N 2.92Å; Y141-N143 VanDerWaalsContact C-N 3.32Å; Y141-N143 PolarHBondContact O-N 2.91Å; Y141-S144 WeakPolarHBondContact CA-OG 3.49Å; Y141-S144 PolarHBondContact O-N 2.9Å; Y141-S144 PolarHBondContact O-OG 3.4Å; Y141-L145 HydrophobicContact CD1-CD1 3.84Å; Y141-L145 HydrophobicContact CD1-CG 4.45Å; Y141-L145 HydrophobicContact CE1-CD1 3.37Å; Y141-L145 HydrophobicContact CE1-CG 4.19Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å; Y141-L145 PolarHBondContact O-N 3.01Å |
| 142 | C | 88.8 | Confident | 79.7 | Confident | 60 Ų | 60 | 88.2 Ų | 88.2 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.6 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | R138 W139 D146 | R138-C142 PolarHBondContact O-N 2.74Å; R138-C142 PolarHBondContact O-SG 3.27Å; R138-C142 VanDerWaalsContact O-SG 3.39Å; W139-C142 PolarHBondContact O-N 3.22Å; C142-D146 PolarHBondContact O-N 2.88Å |
| 143 | N | 88.6 | Confident | 77.6 | Confident | 73 Ų | 73 | 92.1 Ų | 92.1 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 179.9 | -167.7 | 39 | 0 | 0 | 0 | 112 | W139 Y141 D146 M147 | W139-N143 WeakPolarHBondContact O-CB 3.39Å; W139-N143 PolarHBondContact O-N 3.4Å; Y141-N143 VanDerWaalsContact C-N 3.32Å; Y141-N143 PolarHBondContact O-N 2.91Å; N143-D146 PolarHBondContact O-N 2.79Å; N143-M147 PolarHBondContact O-N 2.94Å; N143-M147 VanDerWaalsContact O-N 3.13Å |
| 144 | S | 86.1 | Confident | 75.6 | Confident | 57 Ų | 57 | 95 Ų | 95 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | E140 Y141 D146 M147 M148 | E140-S144 VanDerWaalsContact O-CB 3.28Å; E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.4Å; E140-S144 PolarHBondContact O-OG 3.36Å; Y141-S144 WeakPolarHBondContact CA-OG 3.49Å; Y141-S144 PolarHBondContact O-N 2.9Å; Y141-S144 PolarHBondContact O-OG 3.4Å; S144-D146 VanDerWaalsContact C-N 3.35Å; S144-M147 PolarHBondContact O-N 2.98Å; S144-M148 WeakPolarHBondContact O-CG 3.3Å; S144-M148 PolarHBondContact O-N 3.41Å |
| 145 | L | 78.9 | Confident | 73.1 | Confident | 88 Ų | 88 | 99.7 Ų | 99.7 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 172.3 | -74.3 | -179.7 | 0 | 0 | 0 | 112.8 | Y141 K149 | Y141-L145 HydrophobicContact CD1-CD1 3.84Å; Y141-L145 HydrophobicContact CD1-CG 4.45Å; Y141-L145 HydrophobicContact CE1-CD1 3.37Å; Y141-L145 HydrophobicContact CE1-CG 4.19Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å; Y141-L145 PolarHBondContact O-N 3.01Å; L145-K149 PolarHBondContact O-N 3.45Å |
| 146 | D | 65.5 | Low | 70.9 | Confident | 75 Ų | 75 | 100.3 Ų | 100.3 | 40% | 0.401 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 176.7 | -151 | -16.1 | 0 | 0 | 0 | 111.6 | C142 N143 S144 M148 K149 W150 | C142-D146 PolarHBondContact O-N 2.88Å; N143-D146 PolarHBondContact O-N 2.79Å; S144-D146 VanDerWaalsContact C-N 3.35Å; D146-M148 VanDerWaalsContact C-N 3.32Å; D146-M148 PolarHBondContact O-N 3.22Å; D146-K149 WeakPolarHBondContact O-CB 3.49Å; D146-K149 PolarHBondContact O-N 3.34Å; D146-K149 IonicContact OD1-NZ 2.74Å; D146-K149 PolarHBondContact OD1-NZ 3.31Å; D146-K149 IonicContact OD2-NZ 3.92Å; D146-W150 PolarHBondContact O-N 3.2Å |
| 147 | M | 59.2 | Low | 68.7 | Low | 135 Ų | 135 | 102.3 Ų | 102.3 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -39.5 | 174.8 | -76.2 | -176.1 | 66.3 | 0 | 0 | 113 | N143 S144 K149 W150 | N143-M147 PolarHBondContact O-N 2.94Å; N143-M147 VanDerWaalsContact O-N 3.13Å; S144-M147 PolarHBondContact O-N 2.98Å; M147-K149 PolarHBondContact O-N 2.82Å; M147-W150 PolarHBondContact O-N 2.88Å |
| 148 | M | 58.3 | Low | 66.6 | Low | 141 Ų | 141 | 107 Ų | 107 | 70% | 0.695 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.6 | -7 | 175.7 | -63.9 | -93.5 | 172 | 0 | 0 | 113.9 | S144 D146 D151 S152 | S144-M148 WeakPolarHBondContact O-CG 3.3Å; S144-M148 PolarHBondContact O-N 3.41Å; D146-M148 VanDerWaalsContact C-N 3.32Å; D146-M148 PolarHBondContact O-N 3.22Å; M148-D151 WeakPolarHBondContact CA-OD1 3.18Å; M148-S152 PolarHBondContact O-OG 3.34Å |
| 149 | K | 55.2 | Low | 64.3 | Low | 114 Ų | 114 | 106.1 Ų | 106.1 | 50% | 0.496 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -99 | -29.2 | 172.3 | 166.8 | 177.4 | 135.9 | -85.1 | 0 | 111.2 | L145 D146 M147 D151 S152 | L145-K149 PolarHBondContact O-N 3.45Å; D146-K149 WeakPolarHBondContact O-CB 3.49Å; D146-K149 PolarHBondContact O-N 3.34Å; D146-K149 IonicContact OD1-NZ 2.74Å; D146-K149 PolarHBondContact OD1-NZ 3.31Å; D146-K149 IonicContact OD2-NZ 3.92Å; M147-K149 PolarHBondContact O-N 2.82Å; K149-D151 PolarHBondContact N-OD1 3.45Å; K149-S152 WeakPolarHBondContact O-CB 3.48Å; K149-S152 PolarHBondContact O-N 3.43Å |
| 150 | W | 46.9 | Very low | 61.9 | Low | 186 Ų | 186 | 106.3 Ų | 106.3 | 71% | 0.705 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.4 | -37.9 | -175.2 | -169 | -94.5 | 0 | 0 | 0 | 112.9 | D146 M147 S152 R153 | D146-W150 PolarHBondContact O-N 3.2Å; M147-W150 PolarHBondContact O-N 2.88Å; W150-S152 VanDerWaalsContact C-N 3.31Å; W150-R153 PolarHBondContact O-N 3.25Å |
| 151 | D | 50.3 | Low | 59.9 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 44% | 0.444 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -64.4 | -29.9 | 169.8 | 51.1 | -1.9 | 0 | 0 | 0 | 113.3 | M148 K149 R153 T154 | M148-D151 WeakPolarHBondContact CA-OD1 3.18Å; K149-D151 PolarHBondContact N-OD1 3.45Å; D151-R153 PolarHBondContact O-N 2.92Å; D151-T154 WeakPolarHBondContact O-CG2 3.4Å; D151-T154 PolarHBondContact O-N 2.89Å; D151-T154 PolarHBondContact O-OG1 2.84Å |
| 152 | S | 52.4 | Low | 57.9 | Low | 101 Ų | 101 | 115.6 Ų | 115.6 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -70.1 | -13.2 | 173.8 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | M148 K149 W150 T154 | M148-S152 PolarHBondContact O-OG 3.34Å; K149-S152 WeakPolarHBondContact O-CB 3.48Å; K149-S152 PolarHBondContact O-N 3.43Å; W150-S152 VanDerWaalsContact C-N 3.31Å; S152-T154 VanDerWaalsContact C-N 3.34Å |
| 153 | R | 50.8 | Low | 56.3 | Low | 191 Ų | 191 | 122.8 Ų | 122.8 | 72% | 0.721 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -98.8 | 39.5 | 169.9 | -160 | -176.5 | -75.8 | -171.7 | -4.8 | 111.2 | W150 D151 S155 | W150-R153 PolarHBondContact O-N 3.25Å; D151-R153 PolarHBondContact O-N 2.92Å; R153-S155 PolarHBondContact O-N 3.08Å |
| 154 | T | 53.3 | Low | 54.5 | Low | 112 Ų | 112 | 122.7 Ų | 122.7 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | trans | -94.7 | 73.9 | 165.8 | 50.6 | 0 | 0 | 0 | 0 | 110.1 | D151 S152 | D151-T154 WeakPolarHBondContact O-CG2 3.4Å; D151-T154 PolarHBondContact O-N 2.89Å; D151-T154 PolarHBondContact O-OG1 2.84Å; S152-T154 VanDerWaalsContact C-N 3.34Å | ||
| 155 | S | 43.7 | Very low | 52.8 | Low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | trans | -176.2 | 97.5 | 145.7 | -80.4 | 0 | 0 | 0 | 0 | 107.8 | R153 T157 | R153-S155 PolarHBondContact O-N 3.08Å; S155-T157 VanDerWaalsContact C-N 3.32Å; S155-T157 PolarHBondContact O-N 3.36Å; S155-T157 VanDerWaalsContact O-N 3.08Å | ||
| 156 | P | 50 | Low | 51.9 | Low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | trans | -67.8 | 102.6 | 153.3 | 29 | -25.4 | 0 | 0 | 0 | 105.5 | P158 | P156-P158 WeakPolarHBondContact O-CD 3.37Š| ||
| 157 | T | 47.5 | Very low | 51.2 | Low | 121 Ų | 121 | 132.2 Ų | 132.2 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -58.5 | 119.1 | 158 | -52.4 | 0 | 0 | 0 | 0 | 106.1 | S155 G159 | S155-T157 VanDerWaalsContact C-N 3.32Å; S155-T157 PolarHBondContact O-N 3.36Å; S155-T157 VanDerWaalsContact O-N 3.08Å; T157-G159 VanDerWaalsContact C-N 3.29Å; T157-G159 PolarHBondContact O-N 2.76Å | ||
| 158 | P | 50.1 | Low | 50.5 | Low | 132 Ų | 132 | 137.3 Ų | 137.3 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -70.7 | 93.4 | 171.1 | -9.9 | 27.3 | 0 | 0 | 0 | 106.6 | P156 | P156-P158 WeakPolarHBondContact O-CD 3.37Š| ||
| 159 | G | 46.3 | Very low | 50 | Low | 61 Ų | 61 | 137.9 Ų | 137.9 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -136.4 | 92.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T157 | T157-G159 VanDerWaalsContact C-N 3.29Å; T157-G159 PolarHBondContact O-N 2.76Å | ||
| 160 | D | 42.7 | Very low | 49.3 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 52.4 | 94.3 | 164.3 | -75.1 | -30.5 | 0 | 0 | 0 | 119.4 | ||||
| 161 | F | 50.5 | Low | 49.4 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 129.8 | 152.3 | -67 | -93.1 | 0 | 0 | 0 | 110.7 | ||
| 162 | P | 51.9 | Low | 48.8 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 124.5 | 152.4 | 29.3 | -27.6 | 0 | 0 | 0 | 109.2 | ||
| 163 | K | 53.5 | Low | 48.5 | Very low | 211 Ų | 211 | 139 Ų | 139 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140.2 | 175.7 | -73.6 | 161 | 174.5 | 171.2 | 0 | 113.2 | ||
| 164 | G | 51 | Low | 48 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 127.9 | 126.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 165 | L | 51 | Low | 47.4 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | cis | -143.3 | 141.9 | 12.4 | -92.7 | 141.3 | 0 | 0 | 0 | 108.4 | ||||
| 166 | V | 60.1 | Low | 47.2 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | trans | -49.9 | 132 | 176.7 | -91.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 167 | A | 49.9 | Very low | 47.1 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -135.9 | 135.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 168 | R | 45.4 | Very low | 47 | Very low | 242 Ų | 242 | 141.5 Ų | 141.5 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 152.8 | -155.9 | -71.4 | 177 | 163.3 | 173.1 | -4.6 | 115.2 | T170 | R168-T170 PolarHBondContact O-N 3.24Š| ||
| 169 | D | 47.9 | Very low | 47 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -42.3 | 120.6 | 156.5 | -89.9 | -61.5 | 0 | 0 | 0 | 111.7 | ||||
| 170 | T | 40.8 | Very low | 47.3 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | -136.9 | 102.9 | 145.4 | -57.2 | 0 | 0 | 0 | 0 | 107.5 | R168 D172 | R168-T170 PolarHBondContact O-N 3.24Å; T170-D172 WeakPolarHBondContact CG2-OD2 3.21Å; T170-D172 PolarHBondContact O-N 3.27Å; T170-D172 VanDerWaalsContact O-N 3.08Å | ||
| 171 | T | 47.6 | Very low | 47.7 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -58.8 | 99.8 | 163.1 | -43.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 172 | D | 39.3 | Very low | 47.7 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -137.2 | 108.1 | 158.6 | -85.7 | -53.6 | 0 | 0 | 0 | 109.4 | T170 I174 | T170-D172 WeakPolarHBondContact CG2-OD2 3.21Å; T170-D172 PolarHBondContact O-N 3.27Å; T170-D172 VanDerWaalsContact O-N 3.08Å; D172-I174 PolarHBondContact O-N 3.29Å | ||
| 173 | I | 44.8 | Very low | 47.6 | Very low | 143 Ų | 143 | 133 Ų | 133 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -55.8 | 100.5 | 168.6 | -64.7 | 164.3 | 0 | 0 | 0 | 106.7 | S175 | I173-S175 PolarHBondContact O-N 3.41Š| ||
| 174 | I | 41 | Very low | 47.3 | Very low | 149 Ų | 149 | 131 Ų | 131 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -72.6 | 85.7 | 163.6 | -57 | 177.4 | 0 | 0 | 0 | 106 | D172 Q176 | D172-I174 PolarHBondContact O-N 3.29Å; I174-Q176 VanDerWaalsContact C-N 3.28Å; I174-Q176 PolarHBondContact O-N 3.25Å | ||
| 175 | S | 41.2 | Very low | 47 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | trans | -54.8 | 97.6 | 159.2 | -62.9 | 0 | 0 | 0 | 0 | 107 | I173 H177 | I173-S175 PolarHBondContact O-N 3.41Å; S175-H177 PolarHBondContact O-N 2.9Å | ||
| 176 | Q | 38.7 | Very low | 47.1 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | trans | -64.2 | 91.3 | 165.7 | -74.6 | -177.1 | -21.7 | 0 | 0 | 107 | I174 | I174-Q176 VanDerWaalsContact C-N 3.28Å; I174-Q176 PolarHBondContact O-N 3.25Å | ||
| 177 | H | 47.8 | Very low | 46.6 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 73% | 0.731 | 71% | 0.713 | S | S | * | * | trans | -53.7 | 121.1 | 176.2 | -178.6 | -84.2 | 0 | 0 | 0 | 109.3 | S175 N179 | S175-H177 PolarHBondContact O-N 2.9Å; H177-N179 PolarHBondContact O-N 3.43Å; H177-N179 VanDerWaalsContact O-N 3.1Å | ||
| 178 | P | 45.7 | Very low | 46.4 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | trans | -66.4 | 114.7 | 178.6 | 26.2 | -30.9 | 0 | 0 | 0 | 108.2 | P180 | P178-P180 WeakPolarHBondContact O-CD 3.34Š| ||
| 179 | N | 50.1 | Low | 46.2 | Very low | 101 Ų | 101 | 129 Ų | 129 | 54% | 0.54 | 71% | 0.706 | S | S | . | * | trans | -78.5 | 109.6 | 176.4 | -177.9 | -5.8 | 0 | 0 | 0 | 108.9 | H177 S181 A182 | H177-N179 PolarHBondContact O-N 3.43Å; H177-N179 VanDerWaalsContact O-N 3.1Å; N179-S181 PolarHBondContact O-N 3.13Å; N179-S181 VanDerWaalsContact O-N 3.12Å; N179-S181 WeakPolarHBondContact OD1-CB 3.39Å; N179-S181 PolarHBondContact OD1-N 2.86Å; N179-A182 PolarHBondContact O-N 2.89Å; N179-A182 VanDerWaalsContact O-N 3.1Å | ||
| 180 | P | 52.7 | Low | 46.3 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -66.6 | -14.2 | -178.6 | 29 | -36 | 0 | 0 | 0 | 113 | P178 A182 | P178-P180 WeakPolarHBondContact O-CD 3.34Å; P180-A182 VanDerWaalsContact C-N 3.35Å |
| 181 | S | 50.8 | Low | 46.7 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.8 | -32.2 | 174.1 | -173 | 0 | 0 | 0 | 0 | 112.3 | N179 E183 | N179-S181 PolarHBondContact O-N 3.13Å; N179-S181 VanDerWaalsContact O-N 3.12Å; N179-S181 WeakPolarHBondContact OD1-CB 3.39Å; N179-S181 PolarHBondContact OD1-N 2.86Å; S181-E183 VanDerWaalsContact C-N 3.31Å; S181-E183 PolarHBondContact O-N 3.29Å |
| 182 | A | 51.4 | Low | 46.7 | Very low | 57 Ų | 57 | 129.8 Ų | 129.8 | 47% | 0.471 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -72.4 | -24.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N179 P180 | N179-A182 PolarHBondContact O-N 2.89Å; N179-A182 VanDerWaalsContact O-N 3.1Å; P180-A182 VanDerWaalsContact C-N 3.35Å |
| 183 | E | 49.9 | Very low | 47.2 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.1 | -34.5 | 179.5 | -150.9 | 174.4 | 106.4 | 0 | 0 | 111.8 | S181 A185 R186 | S181-E183 VanDerWaalsContact C-N 3.31Å; S181-E183 PolarHBondContact O-N 3.29Å; E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 2.8Å; E183-R186 PolarHBondContact O-N 2.72Å |
| 184 | K | 46.3 | Very low | 47.5 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -69.6 | -24.2 | 179 | -164.3 | 174.4 | -179.3 | -177 | 0 | 113.7 | R186 | K184-R186 VanDerWaalsContact C-N 3.31Å |
| 185 | A | 45.5 | Very low | 48 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -76.4 | -16.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E183 T187 | E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 2.8Å; A185-T187 VanDerWaalsContact C-N 3.32Å |
| 186 | R | 52 | Low | 48.7 | Very low | 214 Ų | 214 | 116.7 Ų | 116.7 | 81% | 0.808 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -78.7 | -17 | -180 | -66.1 | 179.9 | 169.5 | -118.1 | -1.4 | 113.1 | E183 K184 | E183-R186 PolarHBondContact O-N 2.72Å; K184-R186 VanDerWaalsContact C-N 3.31Å |
| 187 | T | 49.2 | Very low | 49.6 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 69% | 0.693 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -88.7 | -8.9 | -173.3 | -51.3 | 0 | 0 | 0 | 0 | 114.1 | A185 | A185-T187 VanDerWaalsContact C-N 3.32Š|
| 188 | V | 46.1 | Very low | 50.1 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -97 | -4.1 | -169.8 | -172.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 189 | L | 41.5 | Very low | 50.9 | Low | 170 Ų | 170 | 106.4 Ų | 106.4 | 89% | 0.89 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -116.7 | 39.5 | 178.7 | -65.5 | 174.6 | 0 | 0 | 0 | 112.7 | ||
| 190 | A | 49.3 | Very low | 52.2 | Low | 81 Ų | 81 | 102.1 Ų | 102.1 | 67% | 0.669 | 60% | 0.601 | S | S | * | * | trans | -120.2 | 74 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 191 | V | 49.6 | Very low | 53 | Low | 138 Ų | 138 | 101.8 Ų | 101.8 | 84% | 0.836 | 59% | 0.593 | S | S | * | * | trans | 174.9 | 89.9 | 150.3 | 146.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 192 | E | 47.8 | Very low | 53.8 | Low | 184 Ų | 184 | 107.9 Ų | 107.9 | 86% | 0.86 | 60% | 0.603 | S | S | * | * | trans | -124 | 103.7 | 147.7 | -94.5 | -92.2 | 102.5 | 0 | 0 | 103 | A194 | E192-A194 PolarHBondContact O-N 2.74Š| ||
| 193 | A | 50 | Low | 54.8 | Low | 87 Ų | 87 | 105.3 Ų | 105.3 | 72% | 0.719 | 58% | 0.582 | S | S | * | * | trans | -59.9 | 127.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 194 | A | 51.4 | Low | 55.7 | Low | 62 Ų | 62 | 98.9 Ų | 98.9 | 51% | 0.512 | 56% | 0.555 | S | S | . | * | trans | -45.3 | 130.8 | 169 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y129 E192 G196 | Y129-A194 HydrophobicContact CE2-CB 4.37Å; E192-A194 PolarHBondContact O-N 2.74Å; A194-G196 PolarHBondContact O-N 2.8Å | ||
| 195 | P | 50.7 | Low | 56.7 | Low | 29 Ų | 29 | 98.7 Ų | 98.7 | 19% | 0.188 | 56% | 0.556 | C | S | . | * | trans | -56.2 | 105.7 | -178.4 | -21.7 | 31.4 | 0 | 0 | 0 | 108.6 | L126 E197 L198 | L126-P195 HydrophobicContact CD1-CB 4.42Å; L126-P195 HydrophobicContact CD1-CG 4.4Å; P195-E197 PolarHBondContact O-N 2.74Å; P195-L198 PolarHBondContact O-N 3.32Å | ||
| 196 | G | 56.3 | Low | 57.8 | Low | 65 Ų | 65 | 99.9 Ų | 99.9 | 67% | 0.67 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 131.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A194 L198 | A194-G196 PolarHBondContact O-N 2.8Å; G196-L198 PolarHBondContact O-N 3.23Å |
| 197 | E | 58.3 | Low | 58.1 | Low | 137 Ų | 137 | 94.6 Ų | 94.6 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -16.6 | 178.3 | -66.8 | -169.3 | 107.1 | 0 | 0 | 119.5 | P195 | P195-E197 PolarHBondContact O-N 2.74Š|
| 198 | L | 58 | Low | 58.8 | Low | 72 Ų | 72 | 90.2 Ų | 90.2 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -10.9 | -173.1 | -62.2 | 177.5 | 0 | 0 | 0 | 114.8 | L126 P195 G196 | L126-L198 HydrophobicContact CD1-CB 3.67Å; L126-L198 HydrophobicContact CD1-CD1 4.44Å; L126-L198 HydrophobicContact CD2-CB 4.43Å; P195-L198 PolarHBondContact O-N 3.32Å; G196-L198 PolarHBondContact O-N 3.23Å |
| 199 | V | 62.8 | Low | 59.6 | Low | 24 Ų | 24 | 87.4 Ų | 87.4 | 15% | 0.145 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -137.7 | 146.3 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | L37 C38 L126 Y129 | L37-V199 HydrophobicContact CD1-CG1 4.08Å; C38-V199 CarbonylContact O-C 3.51Å; C38-V199 WeakPolarHBondContact O-CA 3.39Å; C38-V199 WeakPolarHBondContact O-CG1 3.48Å; L126-V199 HydrophobicContact CD1-CG2 3.33Å; L126-V199 HydrophobicContact CG-CG2 4.35Å; Y129-V199 HydrophobicContact CD1-CG1 4.46Å; Y129-V199 HydrophobicContact CD1-CG2 3.86Å; Y129-V199 HydrophobicContact CE1-CB 4Å; Y129-V199 HydrophobicContact CE1-CG1 3.52Å; Y129-V199 HydrophobicContact CE1-CG2 3.69Å |
| 200 | G | 77.5 | Confident | 60.2 | Low | 10 Ų | 10 | 82.8 Ų | 82.8 | 10% | 0.103 | 50% | 0.496 | C | S | . | . | S | Bend | trans | 102.7 | 178.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C38 R202 A203 | C38-G200 PolarHBondContact O-N 2.88Å; C38-G200 VanDerWaalsContact SG-CA 3.51Å; G200-R202 PolarHBondContact O-N 3.08Å; G200-R202 VanDerWaalsContact O-N 3.08Å; G200-A203 WeakPolarHBondContact O-CB 3.49Å; G200-A203 PolarHBondContact O-N 2.8Å |
| 201 | D | 68.2 | Low | 60 | Low | 92 Ų | 92 | 85.7 Ų | 85.7 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -58.6 | -29.3 | -171.9 | -58.5 | -74.3 | 0 | 0 | 0 | 113.2 | A203 A204 | D201-A203 VanDerWaalsContact C-N 3.29Å; D201-A203 PolarHBondContact O-N 2.76Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; D201-A204 PolarHBondContact O-N 2.99Å; D201-A204 VanDerWaalsContact O-N 3.15Å |
| 202 | R | 67.8 | Low | 59.7 | Low | 215 Ų | 215 | 84.2 Ų | 84.2 | 81% | 0.811 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -62.7 | -31.9 | 174.7 | -79.8 | 179.7 | 145.8 | -179.4 | -7.4 | 113.5 | G200 A204 H205 | G200-R202 PolarHBondContact O-N 3.08Å; G200-R202 VanDerWaalsContact O-N 3.08Å; R202-A204 PolarHBondContact O-N 2.89Å; R202-H205 PolarHBondContact O-N 2.87Å |
| 203 | A | 73.4 | Confident | 59.1 | Low | 4 Ų | 4 | 82.3 Ų | 82.3 | 3% | 0.033 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -69.8 | -16.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W57 G200 D201 H205 Q206 | W57-A203 HydrophobicContact CH2-CB 3.94Å; W57-A203 HydrophobicContact CZ3-CB 3.94Å; G200-A203 WeakPolarHBondContact O-CB 3.49Å; G200-A203 PolarHBondContact O-N 2.8Å; D201-A203 VanDerWaalsContact C-N 3.29Å; D201-A203 PolarHBondContact O-N 2.76Å; A203-H205 PolarHBondContact O-N 2.81Å; A203-Q206 PolarHBondContact O-N 3.1Å |
| 204 | A | 68.4 | Low | 58.9 | Low | 17 Ų | 17 | 83.6 Ų | 83.6 | 14% | 0.14 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -66.2 | -26.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W57 P73 D201 R202 | W57-A204 HydrophobicContact CH2-CB 3.78Å; W57-A204 VanDerWaalsContact CH2-N 3.28Å; W57-A204 HydrophobicContact CZ2-CB 3.75Å; W57-A204 HydrophobicContact CZ3-CB 4.43Å; P73-A204 HydrophobicContact CB-CB 3.7Å; P73-A204 HydrophobicContact CG-CB 4.1Å; P73-A204 WeakPolarHBondContact CG-O 3.5Å; D201-A204 WeakPolarHBondContact O-CB 3.13Å; D201-A204 PolarHBondContact O-N 2.99Å; D201-A204 VanDerWaalsContact O-N 3.15Å; R202-A204 PolarHBondContact O-N 2.89Å |
| 205 | H | 67 | Low | 58.9 | Low | 165 Ų | 165 | 87.4 Ų | 87.4 | 76% | 0.764 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -87.5 | -11.2 | 179.3 | -62.3 | -73.1 | 0 | 0 | 0 | 113.1 | R202 A203 | R202-H205 PolarHBondContact O-N 2.87Å; A203-H205 PolarHBondContact O-N 2.81Å |
| 206 | Q | 67.8 | Low | 58.4 | Low | 98 Ų | 98 | 93 Ų | 93 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -83.2 | 140.8 | 177.1 | -66.7 | -70.4 | -6.2 | 0 | 0 | 110.3 | Y40 A203 | Y40-Q206 WeakPolarHBondContact CE2-O 3.44Å; A203-Q206 PolarHBondContact O-N 3.1Å |
| 207 | P | 58.5 | Low | 57.8 | Low | 104 Ų | 104 | 99.5 Ų | 99.5 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -64 | 145.3 | 174.7 | 26 | -31.9 | 0 | 0 | 0 | 110.8 | ||
| 208 | A | 63.6 | Low | 57 | Low | 20 Ų | 20 | 103.5 Ų | 103.5 | 17% | 0.165 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -56 | 130.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y40 G210 H211 | Y40-A208 HydrophobicContact CD1-CB 4.11Å; Y40-A208 HydrophobicContact CE1-CB 3.8Å; A208-G210 PolarHBondContact O-N 3.45Å; A208-H211 PolarHBondContact O-N 3.1Å |
| 209 | P | 62.7 | Low | 56.3 | Low | 62 Ų | 62 | 105.2 Ų | 105.2 | 40% | 0.403 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.6 | 123.1 | 177.4 | -22.5 | 31.4 | 0 | 0 | 0 | 111.2 | ||
| 210 | G | 55.8 | Low | 55.6 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 75% | 0.753 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | 17.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | A208 P212 | A208-G210 PolarHBondContact O-N 3.45Å; G210-P212 WeakPolarHBondContact O-CD 3.19Å |
| 211 | H | 44.8 | Very low | 54.4 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | trans | -78.1 | 111.8 | 164.7 | -133.1 | -76.8 | 0 | 0 | 0 | 109.3 | A208 N213 | A208-H211 PolarHBondContact O-N 3.1Å; H211-N213 PolarHBondContact O-N 3.12Å | ||
| 212 | P | 42.1 | Very low | 53.6 | Low | 107 Ų | 107 | 125 Ų | 125 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | trans | -64.8 | 130.4 | 162.5 | 27.7 | -30.9 | 0 | 0 | 0 | 107.4 | G210 | G210-P212 WeakPolarHBondContact O-CD 3.19Š| ||
| 213 | N | 36.7 | Very low | 52.5 | Low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | trans | -51 | 132.7 | 171.2 | -75.2 | -37.2 | 0 | 0 | 0 | 109.7 | H211 I215 | H211-N213 PolarHBondContact O-N 3.12Å; N213-I215 PolarHBondContact O-N 3.35Å | ||
| 214 | P | 45.1 | Very low | 51.5 | Low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -83 | 53.8 | 171.8 | 35.9 | -34.3 | 0 | 0 | 0 | 110.1 | ||
| 215 | I | 51.6 | Low | 50.5 | Low | 141 Ų | 141 | 137 Ų | 137 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | trans | -144.2 | 80.6 | 171.8 | -50.7 | 178.3 | 0 | 0 | 0 | 109.1 | N213 | N213-I215 PolarHBondContact O-N 3.35Š| ||
| 216 | N | 40.8 | Very low | 49.3 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 176.8 | 77.1 | 140.3 | -95.8 | -22.5 | 0 | 0 | 0 | 109.3 | Y218 | N216-Y218 VanDerWaalsContact C-N 3.29Š| ||
| 217 | F | 43 | Very low | 48.2 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | trans | -90.4 | 15.4 | 174.3 | -112.6 | -88.8 | 0 | 0 | 0 | 113.4 | ||||
| 218 | Y | 42.3 | Very low | 47.5 | Very low | 222 Ų | 222 | 150.6 Ų | 150.6 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -127.9 | 76.8 | 175.1 | -67.9 | -77.2 | 0 | 0 | 0 | 111.3 | N216 | N216-Y218 VanDerWaalsContact C-N 3.29Š| ||
| 219 | S | 41.7 | Very low | 46.7 | Very low | 107 Ų | 107 | 157.1 Ų | 157.1 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -155.4 | 55.3 | 152.4 | -151.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 220 | L | 47.9 | Very low | 45.8 | Very low | 170 Ų | 170 | 162.1 Ų | 162.1 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -122.6 | 55.1 | 166.6 | -170.7 | 82.9 | 0 | 0 | 0 | 109.2 | ||||
| 221 | K | 52.4 | Low | 45.3 | Very low | 201 Ų | 201 | 167.1 Ų | 167.1 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -159.3 | 91.5 | 164.5 | -67.8 | -164.1 | 179.2 | -177.2 | 0 | 109.5 | ||||
| 222 | Q | 51.2 | Low | 45.3 | Very low | 170 Ų | 170 | 168.5 Ų | 168.5 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | -169.1 | 8.5 | 149.3 | 57 | -179.3 | -8 | 0 | 0 | 117 | G224 | Q222-G224 PolarHBondContact O-N 3.01Š| ||
| 223 | W | 45.2 | Very low | 45.5 | Very low | 271 Ų | 271 | 172.4 Ų | 172.4 | 100% | 1.027 | 85% | 0.85 | S | S | * | * | trans | -94.8 | 81.9 | 169.1 | -85.2 | 10.9 | 0 | 0 | 0 | 111.2 | ||||
| 224 | G | 52.4 | Low | 46.1 | Very low | 55 Ų | 55 | 174.3 Ų | 174.3 | 57% | 0.567 | 86% | 0.856 | S | S | * | * | trans | -170.3 | 98.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q222 | Q222-G224 PolarHBondContact O-N 3.01Š| ||
| 225 | N | 48.3 | Very low | 46.2 | Very low | 164 Ų | 164 | 178.6 Ų | 178.6 | 88% | 0.877 | 86% | 0.864 | S | S | * | * | trans | 136.6 | 114.1 | 173.4 | -69.9 | -23.7 | 0 | 0 | 0 | 105.2 | ||||
| 226 | E | 41.6 | Very low | 45.8 | Very low | 194 Ų | 194 | 181.5 Ų | 181.5 | 91% | 0.907 | 88% | 0.875 | S | S | * | * | -150.3 | 135.9 | 52.8 | -58.4 | -165.8 | 116.2 | 0 | 0 | 111.8 | |||||
| 227 | L | 45.2 | Very low | 46.2 | Very low | 184 Ų | 184 | 184.3 Ų | 184.3 | 96% | 0.963 | 88% | 0.882 | S | S | * | * | trans | -111.2 | 112.2 | 157.8 | -88.7 | 160.7 | 0 | 0 | 0 | 106.5 | ||||
| 228 | K | 43.1 | Very low | 46.5 | Very low | 273 Ų | 273 | 182.8 Ų | 182.8 | 100% | 1.187 | 88% | 0.882 | S | S | * | * | trans | -159.2 | 0 | 146.5 | -157.8 | 178.8 | 174.2 | 74.9 | 0 | 110.9 |
Retrieved 228 of 228 residues in 325.2 ms
(Link to these results)