| 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 | 39.5 | Very low | 40.9 | Very low | 246 Ų | 246 | 152.1 Ų | 152.1 | 100% | 1.212 | 77% | 0.766 | S | S | * | * | 0 | 105.1 | 0 | -134.7 | 174.8 | -171.9 | 0 | 0 | 107.5 | |||||
| 2 | T | 38.3 | Very low | 41.5 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -93.5 | 111.8 | -166.7 | -41.2 | 0 | 0 | 0 | 0 | 109.9 | V4 | T2-V4 PolarHBondContact O-N 3.41Š| ||
| 3 | R | 37.2 | Very low | 42.2 | Very low | 246 Ų | 246 | 152.3 Ų | 152.3 | 93% | 0.928 | 75% | 0.75 | S | S | * | * | trans | -77.1 | 104.5 | 173.1 | -87.3 | 178.9 | 155.2 | 155.9 | -5.5 | 109 | S5 | R3-S5 PolarHBondContact O-N 3.17Š| ||
| 4 | V | 37.5 | Very low | 42.7 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | -79.4 | 102.4 | 167.5 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | T2 I6 | T2-V4 PolarHBondContact O-N 3.41Å; V4-I6 HydrophobicContact CG1-CG1 3.98Å; V4-I6 PolarHBondContact O-N 2.99Å | ||
| 5 | S | 36.6 | Very low | 42.7 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -78.5 | 99.7 | 170.8 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | R3 D7 | R3-S5 PolarHBondContact O-N 3.17Å; S5-D7 PolarHBondContact O-N 3.1Å | ||
| 6 | I | 41.9 | Very low | 42.7 | Very low | 134 Ų | 134 | 146 Ų | 146 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | trans | -79.5 | 107.4 | 173.9 | -60.2 | 175.6 | 0 | 0 | 0 | 107.3 | V4 R8 | V4-I6 HydrophobicContact CG1-CG1 3.98Å; V4-I6 PolarHBondContact O-N 2.99Å; I6-R8 PolarHBondContact O-N 3.29Å; I6-R8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | D | 39.6 | Very low | 42.8 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 46% | 0.455 | 70% | 0.7 | S | S | . | * | trans | -60.3 | 110 | 175.5 | -163 | -23.2 | 0 | 0 | 0 | 109.8 | S5 N9 L10 | S5-D7 PolarHBondContact O-N 3.1Å; D7-N9 PolarHBondContact O-N 3.37Å; D7-N9 VanDerWaalsContact O-N 3.11Å; D7-N9 VanDerWaalsContact OD1-CB 3.31Å; D7-N9 WeakPolarHBondContact OD1-CB 3.48Å; D7-N9 PolarHBondContact OD1-N 3.44Å; D7-N9 VanDerWaalsContact OD1-N 3.07Å; D7-N9 PolarHBondContact OD1-ND2 3.15Å; D7-L10 HydrophobicContact CB-CD1 4.3Å; D7-L10 PolarHBondContact O-N 3.01Å | ||
| 8 | R | 47.2 | Very low | 42.9 | Very low | 226 Ų | 226 | 139.6 Ų | 139.6 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -64.7 | -10.5 | 178.7 | -68.3 | -174.8 | -173.4 | 172.5 | 2.7 | 112.5 | I6 | I6-R8 PolarHBondContact O-N 3.29Å; I6-R8 VanDerWaalsContact O-N 3.15Å |
| 9 | N | 44 | Very low | 42.8 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 56% | 0.556 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -81.9 | -7.4 | 177.8 | -72.3 | -52.5 | 0 | 0 | 0 | 114.7 | D7 | D7-N9 PolarHBondContact O-N 3.37Å; D7-N9 VanDerWaalsContact O-N 3.11Å; D7-N9 VanDerWaalsContact OD1-CB 3.31Å; D7-N9 WeakPolarHBondContact OD1-CB 3.48Å; D7-N9 PolarHBondContact OD1-N 3.44Å; D7-N9 VanDerWaalsContact OD1-N 3.07Å; D7-N9 PolarHBondContact OD1-ND2 3.15Å |
| 10 | L | 43.6 | Very low | 42.8 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 71% | 0.707 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -81.7 | -15.7 | 177.3 | -107.4 | 112.3 | 0 | 0 | 0 | 113.9 | D7 | D7-L10 HydrophobicContact CB-CD1 4.3Å; D7-L10 PolarHBondContact O-N 3.01Å |
| 11 | L | 44.6 | Very low | 42.7 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -85.5 | -20.4 | 179.5 | -97.1 | 97.5 | 0 | 0 | 0 | 114.5 | Y15 | L11-Y15 WeakPolarHBondContact O-CD2 3.27Š|
| 12 | D | 48 | Very low | 42.7 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -88 | -15.2 | -175.1 | -95.3 | -43.9 | 0 | 0 | 0 | 114.3 | ||
| 13 | R | 50.3 | Low | 43.2 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 74% | 0.74 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85.6 | -28.2 | -166.3 | -66.2 | -166 | -177.7 | -149 | 1.4 | 117.5 | T17 | R13-T17 PolarHBondContact O-OG1 3.39Å |
| 14 | P | 49.1 | Very low | 43.5 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 48% | 0.481 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -85.6 | -23.5 | 177.7 | 29.5 | -29.8 | 0 | 0 | 0 | 113.4 | T17 | P14-T17 PolarHBondContact O-OG1 2.88Å |
| 15 | Y | 43.8 | Very low | 43.9 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -79.5 | -28.5 | -174.3 | -73.1 | -80.4 | 0 | 0 | 0 | 113.7 | L11 | L11-Y15 WeakPolarHBondContact O-CD2 3.27Å |
| 16 | Q | 42.1 | Very low | 44.4 | Very low | 143 Ų | 143 | 127 Ų | 127 | 67% | 0.668 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.4 | -38.7 | -180 | -121.4 | 176.1 | -3.7 | 0 | 0 | 112.3 | T20 | Q16-T20 PolarHBondContact O-N 3.47Å; Q16-T20 PolarHBondContact O-OG1 3.14Å |
| 17 | T | 45 | Very low | 44.6 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 45% | 0.448 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.6 | -45.4 | -179.6 | 14.8 | 0 | 0 | 0 | 0 | 112.3 | R13 P14 L19 T20 Y21 | R13-T17 PolarHBondContact O-OG1 3.39Å; P14-T17 PolarHBondContact O-OG1 2.88Å; T17-L19 PolarHBondContact O-N 3.19Å; T17-T20 PolarHBondContact O-N 3.21Å; T17-Y21 HydrophobicContact CG2-CE2 4.45Å; T17-Y21 WeakPolarHBondContact O-CD2 3.5Å; T17-Y21 PolarHBondContact O-N 3.48Å; T17-Y21 VanDerWaalsContact O-N 3.11Å |
| 18 | N | 43.6 | Very low | 45.1 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.9 | -34.3 | -177.3 | -87.2 | -13.5 | 0 | 0 | 0 | 113.1 | M22 | N18-M22 WeakPolarHBondContact O-CB 3.19Å; N18-M22 WeakPolarHBondContact O-CE 3.4Å; N18-M22 VanDerWaalsContact O-CG 3.25Å; N18-M22 WeakPolarHBondContact O-CG 3.28Å; N18-M22 PolarHBondContact O-N 3.49Å; N18-M22 VanDerWaalsContact O-N 3.15Å |
| 19 | L | 40.5 | Very low | 44.7 | Very low | 111 Ų | 111 | 124 Ų | 124 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.3 | -38.4 | 174.7 | -104.3 | 105.5 | 0 | 0 | 0 | 112.6 | T17 M22 V23 | T17-L19 PolarHBondContact O-N 3.19Å; L19-M22 HydrophobicContact CD1-CE 4.46Å; L19-M22 HydrophobicContact CG-CE 4.09Å; L19-M22 PolarHBondContact O-N 3.22Å; L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 3.36Å |
| 20 | T | 43.9 | Very low | 44.9 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.8 | -36.1 | 179 | -49.8 | 0 | 0 | 0 | 0 | 112.1 | Q16 T17 H24 | Q16-T20 PolarHBondContact O-N 3.47Å; Q16-T20 PolarHBondContact O-OG1 3.14Å; T17-T20 PolarHBondContact O-N 3.21Å; T20-H24 PolarHBondContact O-N 3.45Å |
| 21 | Y | 39.4 | Very low | 45.3 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 66% | 0.659 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.2 | -33.4 | 172.9 | -81.8 | -78.9 | 0 | 0 | 0 | 112.7 | T17 | T17-Y21 HydrophobicContact CG2-CE2 4.45Å; T17-Y21 WeakPolarHBondContact O-CD2 3.5Å; T17-Y21 PolarHBondContact O-N 3.48Å; T17-Y21 VanDerWaalsContact O-N 3.11Å |
| 22 | M | 40.9 | Very low | 45.6 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 50% | 0.498 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -74.2 | -31.6 | -179.2 | -75.6 | -173.2 | -60.6 | 0 | 0 | 114.1 | N18 L19 | N18-M22 WeakPolarHBondContact O-CB 3.19Å; N18-M22 WeakPolarHBondContact O-CE 3.4Å; N18-M22 VanDerWaalsContact O-CG 3.25Å; N18-M22 WeakPolarHBondContact O-CG 3.28Å; N18-M22 PolarHBondContact O-N 3.49Å; N18-M22 VanDerWaalsContact O-N 3.15Å; L19-M22 HydrophobicContact CD1-CE 4.46Å; L19-M22 HydrophobicContact CG-CE 4.09Å; L19-M22 PolarHBondContact O-N 3.22Å |
| 23 | V | 48.1 | Very low | 45.8 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 62% | 0.618 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.2 | -30.5 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L19 H25 | L19-V23 WeakPolarHBondContact O-CG2 3.25Å; L19-V23 PolarHBondContact O-N 3.36Å; V23-H25 VanDerWaalsContact C-N 3.34Å; V23-H25 PolarHBondContact O-N 3.31Å |
| 24 | H | 44 | Very low | 45.8 | Very low | 154 Ų | 154 | 115.8 Ų | 115.8 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -81.4 | -10.3 | -174.5 | -136.1 | -65.4 | 0 | 0 | 0 | 114.7 | T20 | T20-H24 PolarHBondContact O-N 3.45Å |
| 25 | H | 46.5 | Very low | 45.9 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 2.1 | -179.3 | -123.8 | -68.1 | 0 | 0 | 0 | 114.2 | V23 S27 | V23-H25 VanDerWaalsContact C-N 3.34Å; V23-H25 PolarHBondContact O-N 3.31Å; H25-S27 VanDerWaalsContact C-N 3.26Å; H25-S27 PolarHBondContact O-N 3.34Å |
| 26 | Q | 45.9 | Very low | 46.6 | Very low | 151 Ų | 151 | 117.4 Ų | 117.4 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.5 | -179.5 | -72.9 | -173.5 | -18.1 | 0 | 0 | 114.5 | ||
| 27 | S | 46.2 | Very low | 47.1 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 76% | 0.762 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -6.5 | -178.1 | 51 | 0 | 0 | 0 | 0 | 114.5 | H25 | H25-S27 VanDerWaalsContact C-N 3.26Å; H25-S27 PolarHBondContact O-N 3.34Å |
| 28 | S | 49.9 | Very low | 47.7 | Very low | 73 Ų | 73 | 115.9 Ų | 115.9 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -114.8 | 101.2 | -179.5 | 63 | 0 | 0 | 0 | 0 | 112 | S30 | S28-S30 PolarHBondContact O-N 3.28Š|
| 29 | Q | 40 | Very low | 48.5 | Very low | 199 Ų | 199 | 115.8 Ų | 115.8 | 93% | 0.93 | 59% | 0.594 | S | S | * | * | trans | -41.2 | 118.4 | 174.7 | -67.2 | 161.3 | -26.9 | 0 | 0 | 114.1 | ||||
| 30 | S | 47.2 | Very low | 49.5 | Very low | 56 Ų | 56 | 115.9 Ų | 115.9 | 39% | 0.392 | 59% | 0.591 | S | S | . | * | trans | -165.5 | 124.9 | 157.6 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | S28 H32 S33 | S28-S30 PolarHBondContact O-N 3.28Å; S30-H32 PolarHBondContact O-N 3.41Å; S30-H32 VanDerWaalsContact O-N 3.1Å; S30-H32 WeakPolarHBondContact OG-CB 3.47Å; S30-H32 PolarHBondContact OG-N 3.11Å; S30-S33 VanDerWaalsContact O-CB 3.27Å; S30-S33 WeakPolarHBondContact O-CB 3.49Å; S30-S33 PolarHBondContact O-N 3.23Å | ||
| 31 | P | 52.7 | Low | 50.1 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 77% | 0.766 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.3 | -12.4 | 174.4 | 24.4 | -31.7 | 0 | 0 | 0 | 113.5 | ||
| 32 | H | 49.9 | Very low | 51.2 | Low | 142 Ų | 142 | 114.8 Ų | 114.8 | 66% | 0.657 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -76.7 | -27.9 | 171.2 | -66.4 | -39.6 | 0 | 0 | 0 | 113 | S30 Y34 R35 T36 | S30-H32 PolarHBondContact O-N 3.41Å; S30-H32 VanDerWaalsContact O-N 3.1Å; S30-H32 WeakPolarHBondContact OG-CB 3.47Å; S30-H32 PolarHBondContact OG-N 3.11Å; H32-Y34 VanDerWaalsContact C-N 3.28Å; H32-Y34 PolarHBondContact O-N 3.13Å; H32-R35 PolarHBondContact O-N 3.41Å; H32-T36 PolarHBondContact O-N 3.37Å; H32-T36 VanDerWaalsContact O-N 3.14Å; H32-T36 PolarHBondContact O-OG1 3.2Å |
| 33 | S | 52.2 | Low | 52.5 | Low | 65 Ų | 65 | 115.7 Ų | 115.7 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.9 | -36 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | S30 R35 T36 L37 | S30-S33 VanDerWaalsContact O-CB 3.27Å; S30-S33 WeakPolarHBondContact O-CB 3.49Å; S30-S33 PolarHBondContact O-N 3.23Å; S33-R35 PolarHBondContact O-N 3.2Å; S33-T36 PolarHBondContact O-N 3.11Å; S33-L37 VanDerWaalsContact O-CB 3.28Å; S33-L37 WeakPolarHBondContact O-CB 3.44Å; S33-L37 PolarHBondContact O-N 2.91Å |
| 34 | Y | 50 | Low | 53.1 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.9 | -37 | 177.9 | -164.3 | -93.7 | 0 | 0 | 0 | 112.6 | H32 L37 L38 I90 | H32-Y34 VanDerWaalsContact C-N 3.28Å; H32-Y34 PolarHBondContact O-N 3.13Å; Y34-L37 PolarHBondContact O-N 3.46Å; Y34-L38 HydrophobicContact CE1-CD1 3.92Å; Y34-L38 WeakPolarHBondContact O-CB 3.43Å; Y34-L38 PolarHBondContact O-N 2.89Å; Y34-I90 VanDerWaalsContact OH-CG2 3.29Å; Y34-I90 WeakPolarHBondContact OH-CG2 3.34Å |
| 35 | R | 52.3 | Low | 53.9 | Low | 172 Ų | 172 | 113.8 Ų | 113.8 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68 | -43.8 | 177.4 | -171.2 | 175.3 | -179.6 | 150.6 | -0.2 | 111 | H32 S33 L37 L38 E39 | H32-R35 PolarHBondContact O-N 3.41Å; S33-R35 PolarHBondContact O-N 3.2Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.5Å; R35-L38 PolarHBondContact O-N 3.17Å; R35-E39 IonicContact NE-OE1 3Å; R35-E39 PolarHBondContact NE-OE1 3.37Å; R35-E39 WeakPolarHBondContact O-CB 3.37Å; R35-E39 WeakPolarHBondContact O-CG 3.28Å; R35-E39 PolarHBondContact O-N 2.84Å |
| 36 | T | 57.5 | Low | 54.9 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -42.5 | 173.7 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | H32 S33 L38 E39 H40 | H32-T36 PolarHBondContact O-N 3.37Å; H32-T36 VanDerWaalsContact O-N 3.14Å; H32-T36 PolarHBondContact O-OG1 3.2Å; S33-T36 PolarHBondContact O-N 3.11Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.32Å; T36-E39 PolarHBondContact O-N 2.85Å; T36-H40 WeakPolarHBondContact O-CB 3.34Å; T36-H40 PolarHBondContact O-CD2 2.67Å; T36-H40 PolarHBondContact O-N 2.9Å |
| 37 | L | 53.8 | Low | 55.8 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 45% | 0.45 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 176.8 | -168.6 | 146.4 | 0 | 0 | 0 | 111.9 | S33 Y34 R35 S41 | S33-L37 VanDerWaalsContact O-CB 3.28Å; S33-L37 WeakPolarHBondContact O-CB 3.44Å; S33-L37 PolarHBondContact O-N 2.91Å; Y34-L37 PolarHBondContact O-N 3.46Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.5Å; L37-S41 VanDerWaalsContact O-CB 3.28Å; L37-S41 WeakPolarHBondContact O-CB 3.5Å; L37-S41 PolarHBondContact O-N 3.3Å; L37-S41 PolarHBondContact O-OG 3.33Å |
| 38 | L | 57.2 | Low | 56.5 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 178.2 | -161.1 | 142.9 | 0 | 0 | 0 | 112 | Y34 R35 T36 R42 | Y34-L38 HydrophobicContact CE1-CD1 3.92Å; Y34-L38 WeakPolarHBondContact O-CB 3.43Å; Y34-L38 PolarHBondContact O-N 2.89Å; R35-L38 PolarHBondContact O-N 3.17Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.32Å; L38-R42 WeakPolarHBondContact O-CB 3.39Å; L38-R42 PolarHBondContact O-N 2.74Å |
| 39 | E | 61 | Low | 57 | Low | 100 Ų | 100 | 108.5 Ų | 108.5 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 173.5 | -74.5 | 176.7 | -173.7 | 0 | 0 | 111.6 | R35 T36 R42 L43 | R35-E39 IonicContact NE-OE1 3Å; R35-E39 PolarHBondContact NE-OE1 3.37Å; R35-E39 WeakPolarHBondContact O-CB 3.37Å; R35-E39 WeakPolarHBondContact O-CG 3.28Å; R35-E39 PolarHBondContact O-N 2.84Å; T36-E39 PolarHBondContact O-N 2.85Å; E39-R42 WeakPolarHBondContact O-CB 3.41Å; E39-R42 PolarHBondContact O-N 3.42Å; E39-L43 WeakPolarHBondContact O-CG 3.35Å; E39-L43 PolarHBondContact O-N 3.47Å |
| 40 | H | 61 | Low | 58 | Low | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 173.3 | -93.1 | -86.9 | 0 | 0 | 0 | 112 | T36 R42 L43 E44 | T36-H40 WeakPolarHBondContact O-CB 3.34Å; T36-H40 PolarHBondContact O-CD2 2.67Å; T36-H40 PolarHBondContact O-N 2.9Å; H40-R42 PolarHBondContact O-N 3.46Å; H40-L43 PolarHBondContact O-N 3.25Å; H40-E44 PolarHBondContact O-N 2.9Å |
| 41 | S | 57.4 | Low | 58.6 | Low | 46 Ų | 46 | 111.7 Ų | 111.7 | 32% | 0.322 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111 | L37 E44 I45 | L37-S41 VanDerWaalsContact O-CB 3.28Å; L37-S41 WeakPolarHBondContact O-CB 3.5Å; L37-S41 PolarHBondContact O-N 3.3Å; L37-S41 PolarHBondContact O-OG 3.33Å; S41-E44 PolarHBondContact O-N 3.35Å; S41-I45 WeakPolarHBondContact O-CB 3.29Å; S41-I45 WeakPolarHBondContact O-CD1 3.4Å; S41-I45 WeakPolarHBondContact O-CG1 3.31Å; S41-I45 PolarHBondContact O-N 2.93Å |
| 42 | R | 61.5 | Low | 58.9 | Low | 192 Ų | 192 | 109.3 Ų | 109.3 | 73% | 0.725 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 177.3 | -173.2 | 178.8 | 177.8 | -171.4 | -1 | 112 | L38 E39 H40 I45 D46 | L38-R42 WeakPolarHBondContact O-CB 3.39Å; L38-R42 PolarHBondContact O-N 2.74Å; E39-R42 WeakPolarHBondContact O-CB 3.41Å; E39-R42 PolarHBondContact O-N 3.42Å; H40-R42 PolarHBondContact O-N 3.46Å; R42-I45 PolarHBondContact O-N 2.85Å; R42-D46 PolarHBondContact O-N 2.87Å |
| 43 | L | 67.5 | Low | 59.2 | Low | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 176 | -70.7 | 172.9 | 0 | 0 | 0 | 111.8 | E39 H40 D46 S47 | E39-L43 WeakPolarHBondContact O-CG 3.35Å; E39-L43 PolarHBondContact O-N 3.47Å; H40-L43 PolarHBondContact O-N 3.25Å; L43-D46 PolarHBondContact O-N 2.96Å; L43-S47 WeakPolarHBondContact O-CB 3.38Å; L43-S47 PolarHBondContact O-N 3.48Å |
| 44 | E | 62.2 | Low | 59.3 | Low | 104 Ų | 104 | 106.7 Ų | 106.7 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.5 | -74.3 | -168.1 | 167.8 | 0 | 0 | 111.5 | H40 S41 S47 L48 | H40-E44 PolarHBondContact O-N 2.9Å; S41-E44 PolarHBondContact O-N 3.35Å; E44-S47 PolarHBondContact O-N 3.45Å; E44-S47 PolarHBondContact O-OG 2.74Å; E44-L48 WeakPolarHBondContact O-CB 3.46Å; E44-L48 WeakPolarHBondContact O-CG 3.35Å; E44-L48 PolarHBondContact O-N 3.26Å |
| 45 | I | 60.8 | Low | 59.4 | Low | 113 Ų | 113 | 103.9 Ų | 103.9 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -45.4 | 175 | -69.3 | 163.5 | 0 | 0 | 0 | 110.8 | S41 R42 S47 L48 Y49 | S41-I45 WeakPolarHBondContact O-CB 3.29Å; S41-I45 WeakPolarHBondContact O-CD1 3.4Å; S41-I45 WeakPolarHBondContact O-CG1 3.31Å; S41-I45 PolarHBondContact O-N 2.93Å; R42-I45 PolarHBondContact O-N 2.85Å; I45-S47 VanDerWaalsContact C-N 3.32Å; I45-S47 PolarHBondContact O-N 3.27Å; I45-L48 PolarHBondContact O-N 3.46Å; I45-Y49 WeakPolarHBondContact O-CB 3.41Å; I45-Y49 PolarHBondContact O-N 2.89Å |
| 46 | D | 66.2 | Low | 59.3 | Low | 71 Ų | 71 | 100.8 Ų | 100.8 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 177.8 | -161 | 56.8 | 0 | 0 | 0 | 111.1 | R42 L43 Y49 R50 | R42-D46 PolarHBondContact O-N 2.87Å; L43-D46 PolarHBondContact O-N 2.96Å; D46-Y49 PolarHBondContact O-N 3.28Å; D46-R50 WeakPolarHBondContact O-CB 3.13Å; D46-R50 WeakPolarHBondContact O-CG 3.39Å; D46-R50 PolarHBondContact O-N 3.26Å; D46-R50 IonicContact OD2-CZ 3.5Å; D46-R50 IonicContact OD2-NE 3.16Å; D46-R50 PolarHBondContact OD2-NE 3.42Å; D46-R50 IonicContact OD2-NH2 3.53Å; D46-R50 PolarHBondContact OD2-NH2 2.88Å; D46-R50 VanDerWaalsContact OD2-NH2 3.16Å |
| 47 | S | 65.5 | Low | 58.7 | Low | 56 Ų | 56 | 101.4 Ų | 101.4 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 176.2 | 83.1 | 0 | 0 | 0 | 0 | 112.1 | L43 E44 I45 R51 | L43-S47 WeakPolarHBondContact O-CB 3.38Å; L43-S47 PolarHBondContact O-N 3.48Å; E44-S47 PolarHBondContact O-N 3.45Å; E44-S47 PolarHBondContact O-OG 2.74Å; I45-S47 VanDerWaalsContact C-N 3.32Å; I45-S47 PolarHBondContact O-N 3.27Å; S47-R51 VanDerWaalsContact O-CB 3.32Å; S47-R51 WeakPolarHBondContact O-CB 3.49Å; S47-R51 VanDerWaalsContact O-CG 3.23Å; S47-R51 WeakPolarHBondContact O-CG 3.17Å; S47-R51 PolarHBondContact O-N 2.93Å |
| 48 | L | 60.1 | Low | 58.3 | Low | 83 Ų | 83 | 104.5 Ų | 104.5 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 175.7 | -77.8 | 170.2 | 0 | 0 | 0 | 110.5 | E44 I45 R51 L52 | E44-L48 WeakPolarHBondContact O-CB 3.46Å; E44-L48 WeakPolarHBondContact O-CG 3.35Å; E44-L48 PolarHBondContact O-N 3.26Å; I45-L48 PolarHBondContact O-N 3.46Å; L48-R51 PolarHBondContact O-N 3.38Å; L48-L52 VanDerWaalsContact O-CB 3.3Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.95Å |
| 49 | Y | 60.6 | Low | 57.8 | Low | 149 Ų | 149 | 104.3 Ų | 104.3 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -49.1 | 176.7 | -167.4 | -91.6 | 0 | 0 | 0 | 111.2 | I45 D46 R51 L52 E53 | I45-Y49 WeakPolarHBondContact O-CB 3.41Å; I45-Y49 PolarHBondContact O-N 2.89Å; D46-Y49 PolarHBondContact O-N 3.28Å; Y49-R51 VanDerWaalsContact C-N 3.34Å; Y49-R51 PolarHBondContact O-N 3Å; Y49-L52 WeakPolarHBondContact O-CB 3.35Å; Y49-L52 PolarHBondContact O-N 3.4Å; Y49-E53 WeakPolarHBondContact O-CB 3.37Å; Y49-E53 PolarHBondContact O-N 3.07Å |
| 50 | R | 61.8 | Low | 57 | Low | 168 Ų | 168 | 105.1 Ų | 105.1 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -39.6 | 175.6 | -71 | -179.1 | -166.5 | -134.2 | 2.8 | 112.6 | D46 G54 | D46-R50 WeakPolarHBondContact O-CB 3.13Å; D46-R50 WeakPolarHBondContact O-CG 3.39Å; D46-R50 PolarHBondContact O-N 3.26Å; D46-R50 IonicContact OD2-CZ 3.5Å; D46-R50 IonicContact OD2-NE 3.16Å; D46-R50 PolarHBondContact OD2-NE 3.42Å; D46-R50 IonicContact OD2-NH2 3.53Å; D46-R50 PolarHBondContact OD2-NH2 2.88Å; D46-R50 VanDerWaalsContact OD2-NH2 3.16Å; R50-G54 PolarHBondContact O-N 2.84Å |
| 51 | R | 60.3 | Low | 56.4 | Low | 154 Ų | 154 | 108.5 Ų | 108.5 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 174.6 | -77.9 | 177.9 | 70 | -176.2 | 2.1 | 111 | S47 L48 Y49 G54 T55 | S47-R51 VanDerWaalsContact O-CB 3.32Å; S47-R51 WeakPolarHBondContact O-CB 3.49Å; S47-R51 VanDerWaalsContact O-CG 3.23Å; S47-R51 WeakPolarHBondContact O-CG 3.17Å; S47-R51 PolarHBondContact O-N 2.93Å; L48-R51 PolarHBondContact O-N 3.38Å; Y49-R51 VanDerWaalsContact C-N 3.34Å; Y49-R51 PolarHBondContact O-N 3Å; R51-G54 PolarHBondContact O-N 2.93Å; R51-T55 PolarHBondContact O-N 3.15Å; R51-T55 PolarHBondContact O-OG1 3.26Å |
| 52 | L | 58.5 | Low | 56 | Low | 69 Ų | 69 | 111.6 Ų | 111.6 | 36% | 0.361 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 176.5 | -76.6 | 169.4 | 0 | 0 | 0 | 110.7 | L48 Y49 G54 T55 F56 | L48-L52 VanDerWaalsContact O-CB 3.3Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 2.95Å; Y49-L52 WeakPolarHBondContact O-CB 3.35Å; Y49-L52 PolarHBondContact O-N 3.4Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 3.11Å; L52-T55 VanDerWaalsContact CA-OG1 3.28Å; L52-T55 WeakPolarHBondContact CA-OG1 3.38Å; L52-T55 CarbonylContact O-C 3.54Å; L52-T55 PolarHBondContact O-N 3.29Å; L52-T55 PolarHBondContact O-OG1 2.88Å; L52-F56 HydrophobicContact CB-CD2 4.43Å; L52-F56 WeakPolarHBondContact O-CB 3.32Å; L52-F56 WeakPolarHBondContact O-CD2 3.29Å; L52-F56 PolarHBondContact O-N 2.93Å |
| 53 | E | 55.9 | Low | 55.3 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 177 | -167.3 | 171.7 | -159.7 | 0 | 0 | 111.6 | Y49 F56 S57 | Y49-E53 WeakPolarHBondContact O-CB 3.37Å; Y49-E53 PolarHBondContact O-N 3.07Å; E53-F56 PolarHBondContact O-N 3.29Å; E53-S57 WeakPolarHBondContact O-CB 3.49Å; E53-S57 PolarHBondContact O-N 3.48Å |
| 54 | G | 53.5 | Low | 54.4 | Low | 36 Ų | 36 | 113.4 Ų | 113.4 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R50 R51 L52 Q58 | R50-G54 PolarHBondContact O-N 2.84Å; R51-G54 PolarHBondContact O-N 2.93Å; L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 3.11Å; G54-Q58 PolarHBondContact O-N 3.06Å |
| 55 | T | 53.6 | Low | 53.7 | Low | 60 Ų | 60 | 115.3 Ų | 115.3 | 37% | 0.368 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.1 | -34.2 | 174.5 | 38.3 | 0 | 0 | 0 | 0 | 112.8 | R51 L52 Q58 Q59 | R51-T55 PolarHBondContact O-N 3.15Å; R51-T55 PolarHBondContact O-OG1 3.26Å; L52-T55 VanDerWaalsContact CA-OG1 3.28Å; L52-T55 WeakPolarHBondContact CA-OG1 3.38Å; L52-T55 CarbonylContact O-C 3.54Å; L52-T55 PolarHBondContact O-N 3.29Å; L52-T55 PolarHBondContact O-OG1 2.88Å; T55-Q58 PolarHBondContact O-N 3.41Å; T55-Q59 WeakPolarHBondContact O-CB 3.32Å; T55-Q59 WeakPolarHBondContact O-CG 3.41Å; T55-Q59 PolarHBondContact O-N 3.33Å |
| 56 | F | 48.6 | Very low | 52.7 | Low | 107 Ų | 107 | 117.3 Ų | 117.3 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -39.1 | 176.1 | -92.2 | -72.2 | 0 | 0 | 0 | 110.9 | L52 E53 Q59 H60 | L52-F56 HydrophobicContact CB-CD2 4.43Å; L52-F56 WeakPolarHBondContact O-CB 3.32Å; L52-F56 WeakPolarHBondContact O-CD2 3.29Å; L52-F56 PolarHBondContact O-N 2.93Å; E53-F56 PolarHBondContact O-N 3.29Å; F56-Q59 PolarHBondContact O-N 3.48Å; F56-H60 PolarHBondContact O-N 3.31Å |
| 57 | S | 45.1 | Very low | 51.7 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.2 | -38.4 | 176.3 | -162.3 | 0 | 0 | 0 | 0 | 112.1 | E53 | E53-S57 WeakPolarHBondContact O-CB 3.49Å; E53-S57 PolarHBondContact O-N 3.48Å |
| 58 | Q | 47.2 | Very low | 50.8 | Low | 151 Ų | 151 | 124.3 Ų | 124.3 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.5 | -32.6 | 172.8 | -73.1 | -173.5 | -21.8 | 0 | 0 | 113.6 | G54 T55 H60 | G54-Q58 PolarHBondContact O-N 3.06Å; T55-Q58 PolarHBondContact O-N 3.41Å; Q58-H60 VanDerWaalsContact C-N 3.33Å |
| 59 | Q | 45.6 | Very low | 50.1 | Low | 95 Ų | 95 | 123 Ų | 123 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.1 | -19.2 | 178.1 | -76.8 | 179.4 | -38.1 | 0 | 0 | 113 | T55 F56 H61 H62 R63 | T55-Q59 WeakPolarHBondContact O-CB 3.32Å; T55-Q59 WeakPolarHBondContact O-CG 3.41Å; T55-Q59 PolarHBondContact O-N 3.33Å; F56-Q59 PolarHBondContact O-N 3.48Å; Q59-H61 VanDerWaalsContact C-N 3.34Å; Q59-H62 PolarHBondContact O-N 3.48Å; Q59-R63 PolarHBondContact O-N 2.91Å; Q59-R63 VanDerWaalsContact O-N 3.1Å |
| 60 | H | 45.4 | Very low | 49.2 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 55% | 0.546 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.6 | -26 | 175.1 | -127.6 | -82.3 | 0 | 0 | 0 | 113.1 | F56 Q58 R63 | F56-H60 PolarHBondContact O-N 3.31Å; Q58-H60 VanDerWaalsContact C-N 3.33Å; H60-R63 PolarHBondContact NE2-NH1 2.82Å |
| 61 | H | 47.8 | Very low | 48.3 | Very low | 184 Ų | 184 | 119.7 Ų | 119.7 | 85% | 0.852 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82.8 | -15.4 | 170.8 | -91.9 | 45.6 | 0 | 0 | 0 | 113.4 | Q59 | Q59-H61 VanDerWaalsContact C-N 3.34Å |
| 62 | H | 49.1 | Very low | 47.4 | Very low | 111 Ų | 111 | 120 Ų | 120 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -105.6 | 5.4 | 178.9 | -150.1 | 46.1 | 0 | 0 | 0 | 113.8 | Q59 Q64 Q65 | Q59-H62 PolarHBondContact O-N 3.48Å; H62-Q64 PolarHBondContact O-N 3.37Å; H62-Q65 PolarHBondContact CE1-OE1 3.3Å; H62-Q65 PolarHBondContact NE2-OE1 2.99Å; H62-Q65 PolarHBondContact O-N 2.92Å |
| 63 | R | 46.8 | Very low | 46.6 | Very low | 170 Ų | 170 | 119.4 Ų | 119.4 | 64% | 0.642 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 1.2 | -176.2 | -124.3 | -179.3 | 170.6 | 162.4 | -1.7 | 115.1 | Q59 H60 | Q59-R63 PolarHBondContact O-N 2.91Å; Q59-R63 VanDerWaalsContact O-N 3.1Å; H60-R63 PolarHBondContact NE2-NH1 2.82Å |
| 64 | Q | 48.7 | Very low | 45.8 | Very low | 180 Ų | 180 | 115.9 Ų | 115.9 | 84% | 0.841 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -11.1 | 164.9 | -73.6 | -173.7 | -23.4 | 0 | 0 | 113.4 | H62 H66 | H62-Q64 PolarHBondContact O-N 3.37Å; Q64-H66 VanDerWaalsContact C-N 3.27Å; Q64-H66 PolarHBondContact O-CD2 3.12Å; Q64-H66 PolarHBondContact O-N 3.16Å |
| 65 | Q | 46.8 | Very low | 45.3 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 67% | 0.668 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -94.7 | 63 | 169 | -69.1 | -163.6 | -8 | 0 | 0 | 111 | H62 | H62-Q65 PolarHBondContact CE1-OE1 3.3Å; H62-Q65 PolarHBondContact NE2-OE1 2.99Å; H62-Q65 PolarHBondContact O-N 2.92Å |
| 66 | H | 40.1 | Very low | 44.9 | Very low | 156 Ų | 156 | 121.7 Ų | 121.7 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -3.1 | 126 | 154.8 | -87.4 | -121.9 | 0 | 0 | 0 | 117.6 | Q64 L68 | Q64-H66 VanDerWaalsContact C-N 3.27Å; Q64-H66 PolarHBondContact O-CD2 3.12Å; Q64-H66 PolarHBondContact O-N 3.16Å; H66-L68 PolarHBondContact O-N 3Å |
| 67 | T | 45.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.8 | -21.8 | 141.8 | -42 | 0 | 0 | 0 | 0 | 119.3 | ||
| 68 | L | 45.6 | Very low | 45.2 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 81% | 0.806 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -86.7 | -17.2 | -179.3 | -77 | 167.1 | 0 | 0 | 0 | 115.8 | H66 F70 | H66-L68 PolarHBondContact O-N 3Å; L68-F70 PolarHBondContact O-N 3.3Å |
| 69 | A | 44.6 | Very low | 45.5 | Very low | 55 Ų | 55 | 120.8 Ų | 120.8 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.7 | -16.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A71 F72 C73 | A69-A71 PolarHBondContact O-N 2.91Å; A69-F72 PolarHBondContact O-N 2.82Å; A69-C73 PolarHBondContact O-N 3.47Å |
| 70 | F | 42 | Very low | 46 | Very low | 177 Ų | 177 | 120.2 Ų | 120.2 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70 | -32.5 | -178 | -112.7 | -89.5 | 0 | 0 | 0 | 113.1 | L68 C73 G74 | L68-F70 PolarHBondContact O-N 3.3Å; F70-C73 PolarHBondContact O-N 2.88Å; F70-G74 PolarHBondContact O-N 3.29Å; F70-G74 VanDerWaalsContact O-N 3.12Å |
| 71 | A | 43.2 | Very low | 46.5 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 59% | 0.587 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72 | -29.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A69 R75 | A69-A71 PolarHBondContact O-N 2.91Å; A71-R75 PolarHBondContact O-N 3.31Å |
| 72 | F | 42.5 | Very low | 46.9 | Very low | 159 Ų | 159 | 113 Ų | 113 | 70% | 0.697 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79.1 | -35.1 | 174.1 | -89.4 | -84.7 | 0 | 0 | 0 | 112.5 | A69 G74 R75 A76 | A69-F72 PolarHBondContact O-N 2.82Å; F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 3.3Å; F72-R75 PolarHBondContact O-N 2.88Å; F72-A76 WeakPolarHBondContact O-CB 3.23Å; F72-A76 PolarHBondContact O-N 3.13Å |
| 73 | C | 41.5 | Very low | 47.5 | Very low | 58 Ų | 58 | 114 Ų | 114 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61 | -38.2 | 170.7 | -109.9 | 0 | 0 | 0 | 0 | 112.1 | A69 F70 N77 | A69-C73 PolarHBondContact O-N 3.47Å; F70-C73 PolarHBondContact O-N 2.88Å; C73-N77 WeakPolarHBondContact O-CB 3.45Å; C73-N77 PolarHBondContact O-N 2.92Å |
| 74 | G | 38.6 | Very low | 48.5 | Very low | 41 Ų | 41 | 111.1 Ų | 111.1 | 42% | 0.423 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F70 F72 T78 | F70-G74 PolarHBondContact O-N 3.29Å; F70-G74 VanDerWaalsContact O-N 3.12Å; F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 3.3Å; G74-T78 PolarHBondContact O-N 2.87Å; G74-T78 PolarHBondContact O-OG1 3.42Å |
| 75 | R | 41.9 | Very low | 49.2 | Very low | 180 Ų | 180 | 105.8 Ų | 105.8 | 68% | 0.679 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.3 | -39.5 | 177.8 | -71.4 | -171.4 | -179.1 | -165.7 | 0.4 | 113.1 | A71 F72 N77 T78 F79 | A71-R75 PolarHBondContact O-N 3.31Å; F72-R75 PolarHBondContact O-N 2.88Å; R75-N77 VanDerWaalsContact C-N 3.35Å; R75-T78 VanDerWaalsContact CA-OG1 3.26Å; R75-T78 WeakPolarHBondContact CA-OG1 3.32Å; R75-T78 PolarHBondContact O-N 3.47Å; R75-T78 PolarHBondContact O-OG1 2.83Å; R75-T78 VanDerWaalsContact O-OG1 3.13Å; R75-F79 WeakPolarHBondContact O-CD2 3.36Å; R75-F79 PolarHBondContact O-N 3.29Å |
| 76 | A | 47.1 | Very low | 50.2 | Low | 38 Ų | 38 | 105 Ų | 105 | 31% | 0.314 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F72 T78 F79 I80 | F72-A76 WeakPolarHBondContact O-CB 3.23Å; F72-A76 PolarHBondContact O-N 3.13Å; A76-T78 VanDerWaalsContact C-N 3.35Å; A76-T78 PolarHBondContact O-N 2.69Å; A76-F79 PolarHBondContact O-N 3.3Å; A76-I80 WeakPolarHBondContact O-CB 3.22Å; A76-I80 WeakPolarHBondContact O-CD1 3.27Å; A76-I80 WeakPolarHBondContact O-CG1 3.3Å; A76-I80 PolarHBondContact O-N 2.91Å |
| 77 | N | 46.9 | Very low | 51.5 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.3 | -34.6 | 174.7 | -79.5 | -7.6 | 0 | 0 | 0 | 112.7 | C73 R75 S81 | C73-N77 WeakPolarHBondContact O-CB 3.45Å; C73-N77 PolarHBondContact O-N 2.92Å; R75-N77 VanDerWaalsContact C-N 3.35Å; N77-S81 WeakPolarHBondContact O-CB 3.47Å; N77-S81 PolarHBondContact O-N 3.17Å |
| 78 | T | 53.1 | Low | 52.6 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 173.4 | 12.2 | 0 | 0 | 0 | 0 | 111.4 | G74 R75 A76 S81 C82 | G74-T78 PolarHBondContact O-N 2.87Å; G74-T78 PolarHBondContact O-OG1 3.42Å; R75-T78 VanDerWaalsContact CA-OG1 3.26Å; R75-T78 WeakPolarHBondContact CA-OG1 3.32Å; R75-T78 PolarHBondContact O-N 3.47Å; R75-T78 PolarHBondContact O-OG1 2.83Å; R75-T78 VanDerWaalsContact O-OG1 3.13Å; A76-T78 VanDerWaalsContact C-N 3.35Å; A76-T78 PolarHBondContact O-N 2.69Å; T78-S81 PolarHBondContact O-N 2.84Å; T78-C82 WeakPolarHBondContact O-CB 3.43Å; T78-C82 PolarHBondContact O-N 3.24Å; T78-C82 PolarHBondContact O-SG 3.42Å |
| 79 | F | 53.1 | Low | 53.9 | Low | 137 Ų | 137 | 95.5 Ų | 95.5 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.9 | -49 | 174.6 | -97.2 | -82.3 | 0 | 0 | 0 | 111.9 | R75 A76 S81 C82 F83 | R75-F79 WeakPolarHBondContact O-CD2 3.36Å; R75-F79 PolarHBondContact O-N 3.29Å; A76-F79 PolarHBondContact O-N 3.3Å; F79-S81 VanDerWaalsContact C-N 3.33Å; F79-S81 PolarHBondContact O-N 3.4Å; F79-C82 PolarHBondContact O-N 2.77Å; F79-F83 HydrophobicContact CD1-CD2 4.36Å; F79-F83 AromaticContact CD1-CE2 3.89Å; F79-F83 HydrophobicContact CD1-CE2 3.89Å; F79-F83 WeakPolarHBondContact O-CB 3.26Å; F79-F83 WeakPolarHBondContact O-CD2 3.14Å; F79-F83 PolarHBondContact O-N 2.91Å |
| 80 | I | 56 | Low | 55.3 | Low | 83 Ų | 83 | 95.2 Ų | 95.2 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 178.1 | -65.2 | 162.8 | 0 | 0 | 0 | 110.6 | A76 F83 I84 | A76-I80 WeakPolarHBondContact O-CB 3.22Å; A76-I80 WeakPolarHBondContact O-CD1 3.27Å; A76-I80 WeakPolarHBondContact O-CG1 3.3Å; A76-I80 PolarHBondContact O-N 2.91Å; I80-F83 PolarHBondContact O-N 2.87Å; I80-I84 HydrophobicContact CG2-CD1 3.78Å; I80-I84 HydrophobicContact CG2-CG1 4.39Å; I80-I84 VanDerWaalsContact O-CG1 3.27Å; I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 2.8Å |
| 81 | S | 55.1 | Low | 56.8 | Low | 69 Ų | 69 | 96.6 Ų | 96.6 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | N77 T78 F79 I84 S85 | N77-S81 WeakPolarHBondContact O-CB 3.47Å; N77-S81 PolarHBondContact O-N 3.17Å; T78-S81 PolarHBondContact O-N 2.84Å; F79-S81 VanDerWaalsContact C-N 3.33Å; F79-S81 PolarHBondContact O-N 3.4Å; S81-I84 PolarHBondContact O-N 3.42Å; S81-S85 VanDerWaalsContact O-CB 3.31Å; S81-S85 WeakPolarHBondContact O-CB 3.35Å; S81-S85 PolarHBondContact O-N 3.37Å; S81-S85 PolarHBondContact O-OG 2.89Å |
| 82 | C | 56.3 | Low | 58.3 | Low | 80 Ų | 80 | 97.9 Ų | 97.9 | 54% | 0.541 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174 | -76.6 | 0 | 0 | 0 | 0 | 111.5 | T78 F79 S85 F86 | T78-C82 WeakPolarHBondContact O-CB 3.43Å; T78-C82 PolarHBondContact O-N 3.24Å; T78-C82 PolarHBondContact O-SG 3.42Å; F79-C82 PolarHBondContact O-N 2.77Å; C82-S85 PolarHBondContact O-N 2.85Å; C82-F86 VanDerWaalsContact O-CB 3.29Å; C82-F86 WeakPolarHBondContact O-CB 3.5Å; C82-F86 PolarHBondContact O-N 3.29Å |
| 83 | F | 61.4 | Low | 59.9 | Low | 133 Ų | 133 | 95.3 Ų | 95.3 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 177.5 | -88.9 | -70.8 | 0 | 0 | 0 | 112.4 | F79 I80 S85 F86 A87 | F79-F83 HydrophobicContact CD1-CD2 4.36Å; F79-F83 AromaticContact CD1-CE2 3.89Å; F79-F83 HydrophobicContact CD1-CE2 3.89Å; F79-F83 WeakPolarHBondContact O-CB 3.26Å; F79-F83 WeakPolarHBondContact O-CD2 3.14Å; F79-F83 PolarHBondContact O-N 2.91Å; I80-F83 PolarHBondContact O-N 2.87Å; F83-S85 VanDerWaalsContact C-N 3.33Å; F83-F86 PolarHBondContact O-N 2.79Å; F83-A87 WeakPolarHBondContact O-CB 3.31Å; F83-A87 PolarHBondContact O-N 3.18Å |
| 84 | I | 67.9 | Low | 61.4 | Low | 110 Ų | 110 | 96.1 Ų | 96.1 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 174.5 | -67.6 | 166.3 | 0 | 0 | 0 | 110.2 | I80 S81 F86 A87 S88 | I80-I84 HydrophobicContact CG2-CD1 3.78Å; I80-I84 HydrophobicContact CG2-CG1 4.39Å; I80-I84 VanDerWaalsContact O-CG1 3.27Å; I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 2.8Å; S81-I84 PolarHBondContact O-N 3.42Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 2.89Å; I84-A87 PolarHBondContact O-N 3.48Å; I84-S88 WeakPolarHBondContact O-CB 3.35Å; I84-S88 PolarHBondContact O-N 3.5Å; I84-S88 PolarHBondContact O-OG 3.36Å; I84-S88 VanDerWaalsContact O-OG 3.12Å |
| 85 | S | 63.1 | Low | 63.1 | Low | 67 Ų | 67 | 101.6 Ų | 101.6 | 47% | 0.469 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | S81 C82 F83 S88 L89 | S81-S85 VanDerWaalsContact O-CB 3.31Å; S81-S85 WeakPolarHBondContact O-CB 3.35Å; S81-S85 PolarHBondContact O-N 3.37Å; S81-S85 PolarHBondContact O-OG 2.89Å; C82-S85 PolarHBondContact O-N 2.85Å; F83-S85 VanDerWaalsContact C-N 3.33Å; S85-S88 WeakPolarHBondContact CA-OG 3.5Å; S85-S88 PolarHBondContact O-OG 3.4Å; S85-L89 VanDerWaalsContact O-CB 3.32Å; S85-L89 WeakPolarHBondContact O-CB 3.28Å; S85-L89 PolarHBondContact O-N 2.97Å |
| 86 | F | 67.5 | Low | 64.7 | Low | 128 Ų | 128 | 97.1 Ų | 97.1 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71 | -42.8 | 177.2 | -170.4 | -107.2 | 0 | 0 | 0 | 111.6 | C82 F83 I84 S88 L89 I90 | C82-F86 VanDerWaalsContact O-CB 3.29Å; C82-F86 WeakPolarHBondContact O-CB 3.5Å; C82-F86 PolarHBondContact O-N 3.29Å; F83-F86 PolarHBondContact O-N 2.79Å; I84-F86 VanDerWaalsContact C-N 3.33Å; I84-F86 PolarHBondContact O-N 2.89Å; F86-S88 PolarHBondContact O-N 3.03Å; F86-L89 WeakPolarHBondContact O-CB 3.45Å; F86-L89 PolarHBondContact O-N 2.89Å; F86-I90 HydrophobicContact CD1-CD1 3.61Å; F86-I90 HydrophobicContact CD1-CG1 4.47Å; F86-I90 HydrophobicContact CE1-CD1 3.28Å; F86-I90 HydrophobicContact CE1-CG1 4.25Å; F86-I90 HydrophobicContact CG-CD1 4.43Å; F86-I90 HydrophobicContact CZ-CD1 3.86Å; F86-I90 HydrophobicContact CZ-CG1 4.44Å; F86-I90 WeakPolarHBondContact O-CG1 3.45Å; F86-I90 PolarHBondContact O-N 3.06Å |
| 87 | A | 67.6 | Low | 65.9 | Low | 55 Ų | 55 | 100.4 Ų | 100.4 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F83 I84 R91 | F83-A87 WeakPolarHBondContact O-CB 3.31Å; F83-A87 PolarHBondContact O-N 3.18Å; I84-A87 PolarHBondContact O-N 3.48Å; A87-R91 PolarHBondContact O-N 3.31Å |
| 88 | S | 69.8 | Low | 67 | Low | 68 Ų | 68 | 105.1 Ų | 105.1 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69 | -39.2 | 174.7 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | I84 S85 F86 R91 L92 | I84-S88 WeakPolarHBondContact O-CB 3.35Å; I84-S88 PolarHBondContact O-N 3.5Å; I84-S88 PolarHBondContact O-OG 3.36Å; I84-S88 VanDerWaalsContact O-OG 3.12Å; S85-S88 WeakPolarHBondContact CA-OG 3.5Å; S85-S88 PolarHBondContact O-OG 3.4Å; F86-S88 PolarHBondContact O-N 3.03Å; S88-R91 PolarHBondContact O-N 3.06Å; S88-L92 WeakPolarHBondContact O-CB 3.45Å; S88-L92 PolarHBondContact O-N 3.44Å |
| 89 | L | 73.3 | Confident | 67.6 | Low | 107 Ų | 107 | 108.7 Ų | 108.7 | 56% | 0.56 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.3 | -46.1 | 173.2 | -167.1 | 86.7 | 0 | 0 | 0 | 111.6 | S85 F86 R91 L92 L93 | S85-L89 VanDerWaalsContact O-CB 3.32Å; S85-L89 WeakPolarHBondContact O-CB 3.28Å; S85-L89 PolarHBondContact O-N 2.97Å; F86-L89 WeakPolarHBondContact O-CB 3.45Å; F86-L89 PolarHBondContact O-N 2.89Å; L89-R91 PolarHBondContact O-N 3.42Å; L89-L92 PolarHBondContact O-N 3.26Å; L89-L93 WeakPolarHBondContact O-CB 3.34Å; L89-L93 PolarHBondContact O-N 3.37Å |
| 90 | I | 73.3 | Confident | 68.4 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 25% | 0.246 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.2 | -70.8 | 168.8 | 0 | 0 | 0 | 111 | Y34 F86 L92 L93 T94 | Y34-I90 VanDerWaalsContact OH-CG2 3.29Å; Y34-I90 WeakPolarHBondContact OH-CG2 3.34Å; F86-I90 HydrophobicContact CD1-CD1 3.61Å; F86-I90 HydrophobicContact CD1-CG1 4.47Å; F86-I90 HydrophobicContact CE1-CD1 3.28Å; F86-I90 HydrophobicContact CE1-CG1 4.25Å; F86-I90 HydrophobicContact CG-CD1 4.43Å; F86-I90 HydrophobicContact CZ-CD1 3.86Å; F86-I90 HydrophobicContact CZ-CG1 4.44Å; F86-I90 WeakPolarHBondContact O-CG1 3.45Å; F86-I90 PolarHBondContact O-N 3.06Å; I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 3.43Å; I90-L93 PolarHBondContact O-N 3.12Å; I90-T94 WeakPolarHBondContact O-CB 3.39Å; I90-T94 PolarHBondContact O-N 2.76Å; I90-T94 PolarHBondContact O-OG1 3.46Å |
| 91 | R | 72.9 | Confident | 68.3 | Low | 206 Ų | 206 | 116 Ų | 116 | 78% | 0.777 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.8 | -43.8 | 175.7 | -90.2 | -166.9 | 171.8 | 157.2 | -0.3 | 112 | A87 S88 L89 T94 Y95 | A87-R91 PolarHBondContact O-N 3.31Å; S88-R91 PolarHBondContact O-N 3.06Å; L89-R91 PolarHBondContact O-N 3.42Å; R91-T94 PolarHBondContact O-N 3.42Å; R91-Y95 WeakPolarHBondContact O-CB 3.21Å; R91-Y95 PolarHBondContact O-N 2.95Å |
| 92 | L | 75.1 | Confident | 68.9 | Low | 99 Ų | 99 | 118.3 Ų | 118.3 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -45.6 | 177.3 | -174.7 | 68.6 | 0 | 0 | 0 | 110.9 | S88 L89 I90 T94 Y95 L96 | S88-L92 WeakPolarHBondContact O-CB 3.45Å; S88-L92 PolarHBondContact O-N 3.44Å; L89-L92 PolarHBondContact O-N 3.26Å; I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 3.43Å; L92-T94 PolarHBondContact O-N 2.73Å; L92-Y95 PolarHBondContact O-N 3.45Å; L92-L96 HydrophobicContact CG-CD1 4.29Å; L92-L96 WeakPolarHBondContact O-CG 3.13Å; L92-L96 PolarHBondContact O-N 2.86Å |
| 93 | L | 75.6 | Confident | 69.6 | Low | 104 Ų | 104 | 120.3 Ų | 120.3 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.4 | -44.4 | 177.9 | -172.9 | 68.7 | 0 | 0 | 0 | 111.5 | L89 I90 Y95 L96 L97 | L89-L93 WeakPolarHBondContact O-CB 3.34Å; L89-L93 PolarHBondContact O-N 3.37Å; I90-L93 PolarHBondContact O-N 3.12Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; L93-Y95 PolarHBondContact O-N 3.48Å; L93-L96 PolarHBondContact O-N 3.11Å; L93-L97 HydrophobicContact CG-CD1 4.2Å; L93-L97 WeakPolarHBondContact O-CB 3.12Å; L93-L97 WeakPolarHBondContact O-CG 3.2Å; L93-L97 PolarHBondContact O-N 3.27Å |
| 94 | T | 74.3 | Confident | 70 | Confident | 76 Ų | 76 | 119.6 Ų | 119.6 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 177 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | I90 R91 L92 R98 | I90-T94 WeakPolarHBondContact O-CB 3.39Å; I90-T94 PolarHBondContact O-N 2.76Å; I90-T94 PolarHBondContact O-OG1 3.46Å; R91-T94 PolarHBondContact O-N 3.42Å; L92-T94 PolarHBondContact O-N 2.73Å; T94-R98 WeakPolarHBondContact O-CB 3.4Å; T94-R98 PolarHBondContact O-N 2.87Å; T94-R98 VanDerWaalsContact O-N 3.13Å |
| 95 | Y | 74.3 | Confident | 70.1 | Confident | 155 Ų | 155 | 120.2 Ų | 120.2 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.1 | -41.1 | 176.5 | 178.7 | -96.8 | 0 | 0 | 0 | 112.3 | R91 L92 L93 K99 | R91-Y95 WeakPolarHBondContact O-CB 3.21Å; R91-Y95 PolarHBondContact O-N 2.95Å; L92-Y95 PolarHBondContact O-N 3.45Å; L93-Y95 VanDerWaalsContact C-N 3.33Å; L93-Y95 PolarHBondContact O-N 3.48Å; Y95-K99 PolarHBondContact O-N 2.97Å |
| 96 | L | 74.4 | Confident | 70.6 | Confident | 86 Ų | 86 | 123.5 Ų | 123.5 | 45% | 0.45 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.1 | -44.1 | 177.4 | -71.6 | 173.8 | 0 | 0 | 0 | 112 | L92 L93 R98 K99 I100 | L92-L96 HydrophobicContact CG-CD1 4.29Å; L92-L96 WeakPolarHBondContact O-CG 3.13Å; L92-L96 PolarHBondContact O-N 2.86Å; L93-L96 PolarHBondContact O-N 3.11Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 3.25Å; L96-K99 PolarHBondContact O-N 2.93Å; L96-K99 VanDerWaalsContact O-N 3.11Å; L96-I100 PolarHBondContact O-N 3.1Å |
| 97 | L | 72.6 | Confident | 70.8 | Confident | 107 Ų | 107 | 123.2 Ų | 123.2 | 56% | 0.56 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.8 | -43.1 | 176.7 | -74.8 | 169.4 | 0 | 0 | 0 | 111.4 | L93 K99 I100 | L93-L97 HydrophobicContact CG-CD1 4.2Å; L93-L97 WeakPolarHBondContact O-CB 3.12Å; L93-L97 WeakPolarHBondContact O-CG 3.2Å; L93-L97 PolarHBondContact O-N 3.27Å; L97-K99 PolarHBondContact O-N 3.48Å; L97-I100 PolarHBondContact O-N 3.02Å |
| 98 | R | 69.8 | Low | 71 | Confident | 208 Ų | 208 | 128.1 Ų | 128.1 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -13.4 | 178.8 | -162.5 | 174.3 | -176.3 | -179.6 | 2 | 114.4 | T94 L96 | T94-R98 WeakPolarHBondContact O-CB 3.4Å; T94-R98 PolarHBondContact O-N 2.87Å; T94-R98 VanDerWaalsContact O-N 3.13Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 3.25Å |
| 99 | K | 66.7 | Low | 71.1 | Confident | 156 Ų | 156 | 132.7 Ų | 132.7 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -11.6 | 178 | -160 | -177.2 | 175.4 | -172.9 | 0 | 112.5 | Y95 L96 L97 | Y95-K99 PolarHBondContact O-N 2.97Å; L96-K99 PolarHBondContact O-N 2.93Å; L96-K99 VanDerWaalsContact O-N 3.11Å; L97-K99 PolarHBondContact O-N 3.48Å |
| 100 | I | 69.1 | Low | 70.9 | Confident | 148 Ų | 148 | 134.8 Ų | 134.8 | 76% | 0.759 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -25.1 | -179.6 | -65.5 | 168.4 | 0 | 0 | 0 | 111.3 | L96 L97 | L96-I100 PolarHBondContact O-N 3.1Å; L97-I100 PolarHBondContact O-N 3.02Å |
| 101 | E | 53.2 | Low | 70.7 | Confident | 225 Ų | 225 | 142.7 Ų | 142.7 | 100% | 1.051 | 65% | 0.654 | S | S | * | * | trans | -78.2 | 0 | 162.7 | -73.7 | -177.4 | 151.7 | 0 | 0 | 111.8 |
Retrieved 101 of 101 residues in 87.7 ms
(Link to these results)