| 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 | 48.5 | Very low | 53.9 | Low | 241 Ų | 241 | 143.8 Ų | 143.8 | 100% | 1.187 | 81% | 0.813 | S | S | * | * | 0 | 119.7 | 0 | -60.5 | -176.3 | 84.1 | 0 | 0 | 107.1 | |||||
| 2 | A | 55 | Low | 53.8 | Low | 104 Ų | 104 | 148.8 Ų | 148.8 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -81.9 | 118.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.32Š| ||
| 3 | T | 54.6 | Low | 53.9 | Low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 115.1 | 173.7 | 14.6 | 0 | 0 | 0 | 0 | 109 | V5 | T3-V5 PolarHBondContact O-N 3.02Š| ||
| 4 | P | 63.8 | Low | 53.7 | Low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -71.4 | 123.7 | 179.1 | 27.5 | -31.5 | 0 | 0 | 0 | 109.9 | A2 | A2-P4 WeakPolarHBondContact O-CD 3.32Š| ||
| 5 | V | 54.3 | Low | 53.9 | Low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -84 | 121.7 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | T3 V7 | T3-V5 PolarHBondContact O-N 3.02Å; V5-V7 PolarHBondContact O-N 2.82Å | ||
| 6 | P | 44.7 | Very low | 53.7 | Low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -69.6 | 115.5 | 178.6 | 26.8 | -31.7 | 0 | 0 | 0 | 109.9 | ||||
| 7 | V | 61.9 | Low | 53.7 | Low | 111 Ų | 111 | 135.3 Ų | 135.3 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | -99 | 109.1 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V5 R9 | V5-V7 PolarHBondContact O-N 2.82Å; V7-R9 HydrophobicContact CG1-CG 4.2Å; V7-R9 PolarHBondContact O-N 3.29Å | ||
| 8 | L | 52.7 | Low | 53.7 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -75.1 | 104.1 | 170.3 | -166.2 | 81.3 | 0 | 0 | 0 | 108.9 | L10 | L8-L10 PolarHBondContact O-N 3.13Š| ||
| 9 | R | 55.1 | Low | 53.6 | Low | 227 Ų | 227 | 131.9 Ų | 131.9 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | trans | -83 | 111.3 | 176.1 | -68.4 | -172.5 | 178.4 | 172.9 | -0.5 | 109.6 | V7 | V7-R9 HydrophobicContact CG1-CG 4.2Å; V7-R9 PolarHBondContact O-N 3.29Å | ||
| 10 | L | 52.8 | Low | 53.7 | Low | 131 Ų | 131 | 127.1 Ų | 127.1 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.7 | 172.1 | -66.9 | 175.1 | 0 | 0 | 0 | 110.8 | L8 K12 | L8-L10 PolarHBondContact O-N 3.13Å; L10-K12 PolarHBondContact O-N 3.19Å |
| 11 | P | 49.8 | Very low | 53.6 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 135.4 | -179.6 | 20.5 | -31.4 | 0 | 0 | 0 | 110.9 | G13 R19 | P11-G13 PolarHBondContact O-N 2.84Å; P11-R19 PolarHBondContact O-NH1 3.06Å |
| 12 | K | 52.3 | Low | 54.3 | Low | 203 Ų | 203 | 122 Ų | 122 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.3 | 175.7 | -67.8 | -178.3 | 177.3 | -179.7 | 0 | 108.4 | L10 | L10-K12 PolarHBondContact O-N 3.19Š|
| 13 | G | 54.9 | Low | 54.6 | Low | 13 Ų | 13 | 120.6 Ų | 120.6 | 13% | 0.134 | 66% | 0.663 | C | S | . | * | P | Polyproline II helix | trans | -63.1 | 159.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P11 D15 | P11-G13 PolarHBondContact O-N 2.84Å; G13-D15 PolarHBondContact O-N 2.88Å |
| 14 | P | 51.8 | Low | 55.1 | Low | 135 Ų | 135 | 120.4 Ų | 120.4 | 88% | 0.877 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -72.9 | 31.2 | -169.8 | 29.7 | -35.5 | 0 | 0 | 0 | 115.4 | ||
| 15 | D | 55.9 | Low | 55.3 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | trans | -142.4 | 132.8 | -177.9 | -109.1 | -37.6 | 0 | 0 | 0 | 111.4 | G13 N17 S18 | G13-D15 PolarHBondContact O-N 2.88Å; D15-N17 PolarHBondContact O-N 3.36Å; D15-S18 PolarHBondContact O-N 3.21Å | ||
| 16 | P | 51.2 | Low | 55.6 | Low | 128 Ų | 128 | 115 Ų | 115 | 83% | 0.831 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -18.6 | 172 | 26 | -32.3 | 0 | 0 | 0 | 112.6 | ||
| 17 | N | 53.2 | Low | 56.3 | Low | 137 Ų | 137 | 117 Ų | 117 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 0.9 | 176.2 | -72 | -10.8 | 0 | 0 | 0 | 113.8 | D15 | D15-N17 PolarHBondContact O-N 3.36Š|
| 18 | S | 54 | Low | 56.3 | Low | 54 Ų | 54 | 115.5 Ų | 115.5 | 38% | 0.378 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -99.8 | 110.5 | -174 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | D15 | D15-S18 PolarHBondContact O-N 3.21Š|
| 19 | R | 52.8 | Low | 56.7 | Low | 153 Ų | 153 | 112.5 Ų | 112.5 | 58% | 0.577 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 105.7 | 41.8 | 169.2 | -55.2 | 171.6 | 175.8 | -174.1 | 2.9 | 117.3 | P11 F21 | P11-R19 PolarHBondContact O-NH1 3.06Å; R19-F21 WeakPolarHBondContact O-CD2 3.46Å; R19-F21 PolarHBondContact O-N 2.97Å |
| 20 | G | 54.5 | Low | 56.8 | Low | 35 Ų | 35 | 105 Ų | 105 | 36% | 0.361 | 57% | 0.57 | S | S | . | * | S | Bend | 74.4 | 27.3 | 128 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||
| 21 | F | 52.1 | Low | 57 | Low | 194 Ų | 194 | 104 Ų | 104 | 85% | 0.851 | 57% | 0.565 | S | S | * | * | trans | -122.9 | 6.3 | 168.6 | -65.5 | -78.7 | 0 | 0 | 0 | 113.5 | R19 P23 | R19-F21 WeakPolarHBondContact O-CD2 3.46Å; R19-F21 PolarHBondContact O-N 2.97Å; F21-P23 VanDerWaalsContact O-CD 3.31Å; F21-P23 WeakPolarHBondContact O-CD 3.46Å | ||
| 22 | D | 63.3 | Low | 57 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 36% | 0.358 | 55% | 0.554 | S | S | . | * | trans | -75.5 | 116.1 | 171.5 | 172.1 | 16.5 | 0 | 0 | 0 | 109.2 | N24 S25 F28 | D22-N24 PolarHBondContact O-N 2.88Å; D22-N24 VanDerWaalsContact O-N 3.15Å; D22-N24 WeakPolarHBondContact OD1-CB 3.26Å; D22-N24 PolarHBondContact OD1-N 3.26Å; D22-S25 WeakPolarHBondContact O-CB 3.21Å; D22-S25 PolarHBondContact O-N 3.46Å; D22-S25 PolarHBondContact O-OG 3.4Å; D22-S25 PolarHBondContact OD2-N 2.76Å; D22-F28 WeakPolarHBondContact O-CB 3.46Å | ||
| 23 | P | 60.9 | Low | 56.8 | Low | 75 Ų | 75 | 102.7 Ų | 102.7 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -17.2 | 179.7 | 27 | -34.7 | 0 | 0 | 0 | 113.4 | F21 F28 | F21-P23 VanDerWaalsContact O-CD 3.31Å; F21-P23 WeakPolarHBondContact O-CD 3.46Å; P23-F28 VanDerWaalsContact CA-CD1 3.42Å; P23-F28 HydrophobicContact CB-CD1 4.26Å; P23-F28 HydrophobicContact CB-CE1 3.9Å; P23-F28 HydrophobicContact CB-CZ 4.14Å; P23-F28 WeakPolarHBondContact O-CD1 3.39Å |
| 24 | N | 65.6 | Low | 56.5 | Low | 127 Ų | 127 | 105.3 Ų | 105.3 | 68% | 0.679 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -1.7 | 177.2 | -60.9 | -45 | 0 | 0 | 0 | 113.3 | D22 I29 | D22-N24 PolarHBondContact O-N 2.88Å; D22-N24 VanDerWaalsContact O-N 3.15Å; D22-N24 WeakPolarHBondContact OD1-CB 3.26Å; D22-N24 PolarHBondContact OD1-N 3.26Å; N24-I29 WeakPolarHBondContact O-CD1 3.45Å |
| 25 | S | 68.6 | Low | 56.1 | Low | 17 Ų | 17 | 104.9 Ų | 104.9 | 12% | 0.119 | 56% | 0.564 | C | S | . | * | S | Bend | trans | -70.5 | 144.8 | -177.8 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | D22 R27 F28 I29 | D22-S25 WeakPolarHBondContact O-CB 3.21Å; D22-S25 PolarHBondContact O-N 3.46Å; D22-S25 PolarHBondContact O-OG 3.4Å; D22-S25 PolarHBondContact OD2-N 2.76Å; S25-R27 PolarHBondContact O-N 3.28Å; S25-R27 VanDerWaalsContact O-N 3.09Å; S25-F28 PolarHBondContact O-N 2.9Å; S25-F28 WeakPolarHBondContact OG-CB 3.43Å; S25-F28 PolarHBondContact OG-N 2.8Å; S25-F28 VanDerWaalsContact OG-N 3.13Å; S25-I29 WeakPolarHBondContact O-CG1 3.44Å; S25-I29 PolarHBondContact O-N 3.36Å |
| 26 | P | 59.9 | Low | 55.7 | Low | 112 Ų | 112 | 106 Ų | 106 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -54 | -33.7 | 175.4 | -27.4 | 34.3 | 0 | 0 | 0 | 113.1 | A30 | P26-A30 WeakPolarHBondContact O-CB 3.49Å; P26-A30 PolarHBondContact O-N 2.84Å |
| 27 | R | 60 | Low | 55.3 | Low | 169 Ų | 169 | 105.3 Ų | 105.3 | 64% | 0.638 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.2 | -46.2 | 176.4 | -177.3 | -178.4 | 170.7 | 92.6 | 3.7 | 112.2 | S25 I29 A30 L31 | S25-R27 PolarHBondContact O-N 3.28Å; S25-R27 VanDerWaalsContact O-N 3.09Å; R27-I29 VanDerWaalsContact C-N 3.33Å; R27-A30 PolarHBondContact O-N 3.2Å; R27-L31 HydrophobicContact CG-CD1 3.79Å; R27-L31 HydrophobicContact CG-CG 4.35Å; R27-L31 WeakPolarHBondContact O-CB 3.43Å; R27-L31 VanDerWaalsContact O-CG 3.31Å; R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 3.4Å |
| 28 | F | 60.9 | Low | 55.1 | Low | 79 Ų | 79 | 101.1 Ų | 101.1 | 35% | 0.346 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.3 | -177.5 | -88.5 | 0 | 0 | 0 | 110.3 | D22 P23 S25 A30 L31 C32 | D22-F28 WeakPolarHBondContact O-CB 3.46Å; P23-F28 VanDerWaalsContact CA-CD1 3.42Å; P23-F28 HydrophobicContact CB-CD1 4.26Å; P23-F28 HydrophobicContact CB-CE1 3.9Å; P23-F28 HydrophobicContact CB-CZ 4.14Å; P23-F28 WeakPolarHBondContact O-CD1 3.39Å; S25-F28 PolarHBondContact O-N 2.9Å; S25-F28 WeakPolarHBondContact OG-CB 3.43Å; S25-F28 PolarHBondContact OG-N 2.8Å; S25-F28 VanDerWaalsContact OG-N 3.13Å; F28-A30 VanDerWaalsContact C-N 3.34Å; F28-A30 PolarHBondContact O-N 3.24Å; F28-L31 PolarHBondContact O-N 2.97Å; F28-C32 HydrophobicContact CD1-CB 4.46Å; F28-C32 HydrophobicContact CE1-CB 4.39Å; F28-C32 VanDerWaalsContact CE1-SG 3.54Å; F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.41Å; F28-C32 PolarHBondContact O-N 2.94Å; F28-C32 PolarHBondContact O-SG 2.89Å |
| 29 | I | 61.5 | Low | 54.7 | Low | 96 Ų | 96 | 102.6 Ų | 102.6 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.8 | -41.9 | 177 | -63.9 | 165.9 | 0 | 0 | 0 | 111.6 | N24 S25 R27 R33 | N24-I29 WeakPolarHBondContact O-CD1 3.45Å; S25-I29 WeakPolarHBondContact O-CG1 3.44Å; S25-I29 PolarHBondContact O-N 3.36Å; R27-I29 VanDerWaalsContact C-N 3.33Å; I29-R33 PolarHBondContact O-N 2.9Å |
| 30 | A | 57.2 | Low | 54.6 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.1 | -38.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P26 R27 F28 | P26-A30 WeakPolarHBondContact O-CB 3.49Å; P26-A30 PolarHBondContact O-N 2.84Å; R27-A30 PolarHBondContact O-N 3.2Å; F28-A30 VanDerWaalsContact C-N 3.34Å; F28-A30 PolarHBondContact O-N 3.24Å |
| 31 | L | 56.9 | Low | 54.6 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -79.6 | -29.4 | 178.6 | -68.7 | 173 | 0 | 0 | 0 | 112.9 | R27 F28 R33 | R27-L31 HydrophobicContact CG-CD1 3.79Å; R27-L31 HydrophobicContact CG-CG 4.35Å; R27-L31 WeakPolarHBondContact O-CB 3.43Å; R27-L31 VanDerWaalsContact O-CG 3.31Å; R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 3.4Å; F28-L31 PolarHBondContact O-N 2.97Å; L31-R33 VanDerWaalsContact C-N 3.35Å |
| 32 | C | 48.7 | Very low | 54.4 | Low | 69 Ų | 69 | 97.8 Ų | 97.8 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -82 | -10.3 | 178.7 | -70.6 | 0 | 0 | 0 | 0 | 113.6 | F28 T34 | F28-C32 HydrophobicContact CD1-CB 4.46Å; F28-C32 HydrophobicContact CE1-CB 4.39Å; F28-C32 VanDerWaalsContact CE1-SG 3.54Å; F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.41Å; F28-C32 PolarHBondContact O-N 2.94Å; F28-C32 PolarHBondContact O-SG 2.89Å; C32-T34 PolarHBondContact O-N 3.43Å |
| 33 | R | 48.3 | Very low | 54 | Low | 214 Ų | 214 | 103.8 Ų | 103.8 | 81% | 0.808 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -70.6 | 84.3 | 159 | -92.1 | -171.9 | -175 | -178.3 | 2.3 | 108 | I29 L31 S35 | I29-R33 PolarHBondContact O-N 2.9Å; L31-R33 VanDerWaalsContact C-N 3.35Å; R33-S35 PolarHBondContact O-N 3.36Å |
| 34 | T | 48.5 | Very low | 54 | Low | 67 Ų | 67 | 102.8 Ų | 102.8 | 41% | 0.411 | 60% | 0.6 | S | S | . | * | trans | -49.6 | 130.7 | 159.9 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | C32 I36 | C32-T34 PolarHBondContact O-N 3.43Å; T34-I36 CarbonylContact O-C 3.51Å; T34-I36 PolarHBondContact O-N 2.8Å; T34-I36 PolarHBondContact OG1-O 2.79Å | ||
| 35 | S | 44.6 | Very low | 54.5 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 88% | 0.881 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -59.6 | -10.3 | 172.8 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | R33 | R33-S35 PolarHBondContact O-N 3.36Š|
| 36 | I | 47.7 | Very low | 55 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 64% | 0.641 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -84.8 | 117.2 | 167.1 | -53 | 175.4 | 0 | 0 | 0 | 107.1 | T34 T38 | T34-I36 CarbonylContact O-C 3.51Å; T34-I36 PolarHBondContact O-N 2.8Å; T34-I36 PolarHBondContact OG1-O 2.79Å; I36-T38 PolarHBondContact O-N 2.92Å |
| 37 | P | 43.3 | Very low | 55.9 | Low | 114 Ų | 114 | 104.9 Ų | 104.9 | 74% | 0.74 | 61% | 0.605 | S | S | * | * | trans | -58.4 | 109.3 | 171.8 | 24 | -31.1 | 0 | 0 | 0 | 108 | S39 | P37-S39 PolarHBondContact O-N 2.84Å; P37-S39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | T | 47.3 | Very low | 56.9 | Low | 49 Ų | 49 | 101.7 Ų | 101.7 | 30% | 0.301 | 60% | 0.598 | S | S | . | * | trans | -54.7 | 119.7 | 154.1 | -52.6 | 0 | 0 | 0 | 0 | 104.8 | I36 A40 R56 | I36-T38 PolarHBondContact O-N 2.92Å; T38-A40 PolarHBondContact O-N 2.85Å; T38-R56 PolarHBondContact OG1-NH2 3.33Å | ||
| 39 | S | 46.9 | Very low | 57.7 | Low | 85 Ų | 85 | 101 Ų | 101 | 59% | 0.594 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -34 | 111 | 175 | 27.5 | 0 | 0 | 0 | 0 | 110.1 | P37 A41 | P37-S39 PolarHBondContact O-N 2.84Å; P37-S39 VanDerWaalsContact O-N 3.14Å; S39-A41 PolarHBondContact O-N 3.29Å |
| 40 | A | 50.6 | Low | 58.7 | Low | 93 Ų | 93 | 103.1 Ų | 103.1 | 77% | 0.769 | 61% | 0.605 | S | S | * | * | trans | 27.1 | 88.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T38 A42 | T38-A40 PolarHBondContact O-N 2.85Å; A40-A42 PolarHBondContact O-N 2.87Å | ||
| 41 | A | 53.6 | Low | 60 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 98.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S39 | S39-A41 PolarHBondContact O-N 3.29Š|
| 42 | A | 47.4 | Very low | 61.2 | Low | 94 Ų | 94 | 103.7 Ų | 103.7 | 78% | 0.777 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.3 | -32 | 153.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A40 | A40-A42 PolarHBondContact O-N 2.87Š|
| 43 | E | 55.8 | Low | 62.9 | Low | 193 Ų | 193 | 105.3 Ų | 105.3 | 90% | 0.902 | 59% | 0.594 | S | S | * | * | trans | -149.6 | 46 | -175.6 | -62.4 | -163.6 | 177.8 | 0 | 0 | 114.1 | ||||
| 44 | S | 60.1 | Low | 64.7 | Low | 54 Ų | 54 | 101.2 Ų | 101.2 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | trans | -80.9 | 130.4 | 173.8 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 45 | D | 77 | Confident | 66.6 | Low | 65 Ų | 65 | 100.5 Ų | 100.5 | 35% | 0.348 | 58% | 0.584 | S | S | . | * | trans | -52.6 | 130 | 174.9 | 171.9 | 5.9 | 0 | 0 | 0 | 110.5 | Q47 Q48 L49 | D45-Q47 PolarHBondContact O-N 3.33Å; D45-Q47 VanDerWaalsContact O-N 3.11Å; D45-Q47 PolarHBondContact OD1-N 2.73Å; D45-Q48 HydrophobicContact CB-CB 4.29Å; D45-Q48 HydrophobicContact CB-CG 3.96Å; D45-Q48 WeakPolarHBondContact O-CB 3.2Å; D45-Q48 PolarHBondContact O-N 3.05Å; D45-L49 PolarHBondContact O-N 2.79Å | ||
| 46 | P | 78 | Confident | 68.8 | Low | 101 Ų | 101 | 98.8 Ų | 98.8 | 66% | 0.656 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -54.2 | -30.4 | 179.6 | 21.8 | -35.3 | 0 | 0 | 0 | 113.7 | Q50 | P46-Q50 PolarHBondContact O-N 3.01Å; P46-Q50 VanDerWaalsContact O-N 3.11Å |
| 47 | Q | 80.5 | Confident | 70.9 | Confident | 135 Ų | 135 | 96.4 Ų | 96.4 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.1 | -44.7 | 176.2 | -65.2 | -171 | -24.3 | 0 | 0 | 111.4 | D45 L49 Q50 E51 | D45-Q47 PolarHBondContact O-N 3.33Å; D45-Q47 VanDerWaalsContact O-N 3.11Å; D45-Q47 PolarHBondContact OD1-N 2.73Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 2.82Å; Q47-Q50 WeakPolarHBondContact O-CB 3.22Å; Q47-Q50 PolarHBondContact O-N 2.83Å; Q47-E51 WeakPolarHBondContact O-CG 3.42Å; Q47-E51 PolarHBondContact O-N 3.17Å |
| 48 | Q | 79.8 | Confident | 73.3 | Confident | 102 Ų | 102 | 93.2 Ų | 93.2 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.2 | -65 | 177.4 | 1.8 | 0 | 0 | 111.4 | D45 Q50 E51 E52 | D45-Q48 HydrophobicContact CB-CB 4.29Å; D45-Q48 HydrophobicContact CB-CG 3.96Å; D45-Q48 WeakPolarHBondContact O-CB 3.2Å; D45-Q48 PolarHBondContact O-N 3.05Å; Q48-Q50 VanDerWaalsContact C-N 3.31Å; Q48-Q50 PolarHBondContact O-N 3.04Å; Q48-E51 PolarHBondContact O-N 3.34Å; Q48-E52 WeakPolarHBondContact O-CG 3.42Å; Q48-E52 PolarHBondContact O-N 2.79Å |
| 49 | L | 78.9 | Confident | 75.6 | Confident | 65 Ų | 65 | 96.5 Ų | 96.5 | 34% | 0.34 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.2 | 179 | 63.9 | 0 | 0 | 0 | 111.8 | D45 Q47 E52 Q53 | D45-L49 PolarHBondContact O-N 2.79Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 2.82Å; L49-E52 PolarHBondContact O-N 3.09Å; L49-Q53 HydrophobicContact CD1-CG 4.37Å; L49-Q53 WeakPolarHBondContact O-CB 3.49Å; L49-Q53 VanDerWaalsContact O-CG 3.28Å; L49-Q53 WeakPolarHBondContact O-CG 3.46Å; L49-Q53 PolarHBondContact O-N 3.4Å |
| 50 | Q | 81.3 | Confident | 77.9 | Confident | 140 Ų | 140 | 96.5 Ų | 96.5 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 178.3 | -175 | 174.3 | 9.8 | 0 | 0 | 111.6 | P46 Q47 Q48 Q53 H54 | P46-Q50 PolarHBondContact O-N 3.01Å; P46-Q50 VanDerWaalsContact O-N 3.11Å; Q47-Q50 WeakPolarHBondContact O-CB 3.22Å; Q47-Q50 PolarHBondContact O-N 2.83Å; Q48-Q50 VanDerWaalsContact C-N 3.31Å; Q48-Q50 PolarHBondContact O-N 3.04Å; Q50-Q53 PolarHBondContact O-N 3.3Å; Q50-H54 PolarHBondContact O-N 2.95Å |
| 51 | E | 84.7 | Confident | 80 | Confident | 136 Ų | 136 | 96.5 Ų | 96.5 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 176.3 | -71 | 178.6 | 179.9 | 0 | 0 | 111.8 | Q47 Q48 Q53 H54 A55 | Q47-E51 WeakPolarHBondContact O-CG 3.42Å; Q47-E51 PolarHBondContact O-N 3.17Å; Q48-E51 PolarHBondContact O-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.22Å; E51-H54 PolarHBondContact O-N 3.03Å; E51-A55 WeakPolarHBondContact O-CB 3.37Å; E51-A55 PolarHBondContact O-N 3.13Å |
| 52 | E | 83.1 | Confident | 82.1 | Confident | 57 Ų | 57 | 100.3 Ų | 100.3 | 27% | 0.266 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.8 | -73.1 | -174.6 | -177 | 0 | 0 | 112.1 | Q48 L49 H54 A55 R56 | Q48-E52 WeakPolarHBondContact O-CG 3.42Å; Q48-E52 PolarHBondContact O-N 2.79Å; L49-E52 PolarHBondContact O-N 3.09Å; E52-H54 VanDerWaalsContact C-N 3.32Å; E52-H54 PolarHBondContact O-N 2.91Å; E52-A55 PolarHBondContact O-N 2.93Å; E52-R56 WeakPolarHBondContact O-CB 3.42Å; E52-R56 VanDerWaalsContact O-CG 3.28Å; E52-R56 WeakPolarHBondContact O-CG 3.23Å; E52-R56 PolarHBondContact O-N 3.34Å; E52-R56 IonicContact OE2-CZ 2.77Å; E52-R56 VanDerWaalsContact OE2-CZ 3.29Å; E52-R56 IonicContact OE2-NH1 3.29Å; E52-R56 PolarHBondContact OE2-NH1 3.2Å; E52-R56 IonicContact OE2-NH2 2.75Å; E52-R56 PolarHBondContact OE2-NH2 3.31Å |
| 53 | Q | 83.8 | Confident | 84.3 | Confident | 103 Ų | 103 | 99.6 Ų | 99.6 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 177.5 | -75.8 | -180 | 3 | 0 | 0 | 111.7 | L49 Q50 E51 S57 | L49-Q53 HydrophobicContact CD1-CG 4.37Å; L49-Q53 WeakPolarHBondContact O-CB 3.49Å; L49-Q53 VanDerWaalsContact O-CG 3.28Å; L49-Q53 WeakPolarHBondContact O-CG 3.46Å; L49-Q53 PolarHBondContact O-N 3.4Å; Q50-Q53 PolarHBondContact O-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.22Å; Q53-S57 WeakPolarHBondContact O-CB 3.43Å; Q53-S57 PolarHBondContact O-N 3.39Å; Q53-S57 PolarHBondContact O-OG 3.22Å |
| 54 | H | 86.1 | Confident | 86.2 | Confident | 128 Ų | 128 | 94.2 Ų | 94.2 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.9 | -48.4 | 173.7 | -177.4 | 27.9 | 0 | 0 | 0 | 111.1 | Q50 E51 E52 R56 S57 V58 | Q50-H54 PolarHBondContact O-N 2.95Å; E51-H54 PolarHBondContact O-N 3.03Å; E52-H54 VanDerWaalsContact C-N 3.32Å; E52-H54 PolarHBondContact O-N 2.91Å; H54-R56 PolarHBondContact O-N 3.27Å; H54-S57 WeakPolarHBondContact O-CB 3.47Å; H54-S57 PolarHBondContact O-N 3.1Å; H54-S57 VanDerWaalsContact O-N 3.11Å; H54-V58 WeakPolarHBondContact O-CG2 3.44Å; H54-V58 PolarHBondContact O-N 2.81Å |
| 55 | A | 88.7 | Confident | 87.8 | Confident | 52 Ų | 52 | 99.5 Ų | 99.5 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E51 E52 S57 V58 L59 | E51-A55 WeakPolarHBondContact O-CB 3.37Å; E51-A55 PolarHBondContact O-N 3.13Å; E52-A55 PolarHBondContact O-N 2.93Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 2.75Å; A55-V58 PolarHBondContact O-N 3.31Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.87Å |
| 56 | R | 89.6 | Confident | 88.7 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 174.2 | -74.9 | 178 | -173.4 | 111 | 7.1 | 111.5 | T38 E52 H54 L59 R60 | T38-R56 PolarHBondContact OG1-NH2 3.33Å; E52-R56 WeakPolarHBondContact O-CB 3.42Å; E52-R56 VanDerWaalsContact O-CG 3.28Å; E52-R56 WeakPolarHBondContact O-CG 3.23Å; E52-R56 PolarHBondContact O-N 3.34Å; E52-R56 IonicContact OE2-CZ 2.77Å; E52-R56 VanDerWaalsContact OE2-CZ 3.29Å; E52-R56 IonicContact OE2-NH1 3.29Å; E52-R56 PolarHBondContact OE2-NH1 3.2Å; E52-R56 IonicContact OE2-NH2 2.75Å; E52-R56 PolarHBondContact OE2-NH2 3.31Å; H54-R56 PolarHBondContact O-N 3.27Å; R56-L59 PolarHBondContact O-N 2.92Å; R56-R60 WeakPolarHBondContact O-CB 3.4Å; R56-R60 PolarHBondContact O-N 3.01Å |
| 57 | S | 91.6 | Very high | 89.4 | Confident | 75 Ų | 75 | 95 Ų | 95 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 179 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | Q53 H54 A55 R60 E61 | Q53-S57 WeakPolarHBondContact O-CB 3.43Å; Q53-S57 PolarHBondContact O-N 3.39Å; Q53-S57 PolarHBondContact O-OG 3.22Å; H54-S57 WeakPolarHBondContact O-CB 3.47Å; H54-S57 PolarHBondContact O-N 3.1Å; H54-S57 VanDerWaalsContact O-N 3.11Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 2.75Å; S57-R60 PolarHBondContact O-N 2.99Å; S57-E61 WeakPolarHBondContact O-CB 3.37Å; S57-E61 PolarHBondContact O-N 3.45Å |
| 58 | V | 95.4 | Very high | 90.1 | Very high | 47 Ų | 47 | 95.2 Ų | 95.2 | 29% | 0.285 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | H54 A55 R60 E61 R62 | H54-V58 WeakPolarHBondContact O-CG2 3.44Å; H54-V58 PolarHBondContact O-N 2.81Å; A55-V58 PolarHBondContact O-N 3.31Å; V58-R60 VanDerWaalsContact C-N 3.33Å; V58-E61 PolarHBondContact O-N 2.86Å; V58-R62 WeakPolarHBondContact O-CG 3.18Å; V58-R62 PolarHBondContact O-N 2.95Å; V58-R62 VanDerWaalsContact O-N 3.08Å |
| 59 | L | 95.4 | Very high | 90.8 | Very high | 117 Ų | 117 | 92.1 Ų | 92.1 | 61% | 0.613 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 176.3 | -71.4 | 173.3 | 0 | 0 | 0 | 111.3 | A55 R56 R62 F63 | A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.87Å; R56-L59 PolarHBondContact O-N 2.92Å; L59-R62 PolarHBondContact O-N 2.92Å; L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 PolarHBondContact O-N 2.99Å |
| 60 | R | 93.9 | Very high | 91.6 | Very high | 86 Ų | 86 | 89 Ų | 89 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 178.1 | -176.6 | 57.5 | 176.2 | -176.9 | -0.8 | 111.9 | R56 S57 V58 F63 L64 I94 | R56-R60 WeakPolarHBondContact O-CB 3.4Å; R56-R60 PolarHBondContact O-N 3.01Å; S57-R60 PolarHBondContact O-N 2.99Å; V58-R60 VanDerWaalsContact C-N 3.33Å; R60-F63 PolarHBondContact O-N 2.75Å; R60-L64 HydrophobicContact CG-CD1 4.12Å; R60-L64 HydrophobicContact CG-CG 4.41Å; R60-L64 WeakPolarHBondContact O-CB 3.09Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 2.9Å; R60-I94 PolarHBondContact NH2-O 3.39Å |
| 61 | E | 95.8 | Very high | 92.3 | Very high | 93 Ų | 93 | 85.4 Ų | 85.4 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 175.4 | -174.5 | -167.5 | 157.4 | 0 | 0 | 111.3 | S57 V58 F63 L64 R65 | S57-E61 WeakPolarHBondContact O-CB 3.37Å; S57-E61 PolarHBondContact O-N 3.45Å; V58-E61 PolarHBondContact O-N 2.86Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 2.89Å; E61-L64 PolarHBondContact O-N 3.48Å; E61-R65 WeakPolarHBondContact O-CG 3.15Å; E61-R65 PolarHBondContact O-N 3.18Å; E61-R65 IonicContact OE1-CZ 3.18Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.14Å; E61-R65 IonicContact OE1-NH2 2.7Å; E61-R65 PolarHBondContact OE1-NH2 2.83Å |
| 62 | R | 96.7 | Very high | 92.9 | Very high | 174 Ų | 174 | 85.2 Ų | 85.2 | 66% | 0.657 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 178.3 | -71.7 | 177.2 | 178.4 | -167.9 | -0.1 | 111.9 | V58 L59 R65 C66 | V58-R62 WeakPolarHBondContact O-CG 3.18Å; V58-R62 PolarHBondContact O-N 2.95Å; V58-R62 VanDerWaalsContact O-N 3.08Å; L59-R62 PolarHBondContact O-N 2.92Å; R62-R65 PolarHBondContact O-N 3.03Å; R62-C66 PolarHBondContact O-N 3.48Å |
| 63 | F | 94.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 85.1 Ų | 85.1 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 176.2 | 177.3 | -100.1 | 0 | 0 | 0 | 112.3 | L59 R60 E61 R65 C66 L67 V96 | L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 PolarHBondContact O-N 2.99Å; R60-F63 PolarHBondContact O-N 2.75Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 2.89Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 2.83Å; F63-C66 VanDerWaalsContact O-CB 3.26Å; F63-C66 WeakPolarHBondContact O-CB 3.34Å; F63-C66 PolarHBondContact O-N 3.44Å; F63-C66 VanDerWaalsContact O-N 3.13Å; F63-L67 HydrophobicContact CD1-CD1 4.25Å; F63-L67 HydrophobicContact CE1-CD1 3.65Å; F63-L67 HydrophobicContact CE1-CG 4.14Å; F63-L67 HydrophobicContact CZ-CD1 4.1Å; F63-L67 HydrophobicContact CZ-CD2 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.27Å; F63-L67 PolarHBondContact O-N 3.28Å; F63-V96 HydrophobicContact CE1-CG2 3.53Å; F63-V96 HydrophobicContact CZ-CB 4.32Å; F63-V96 HydrophobicContact CZ-CG1 4.28Å; F63-V96 HydrophobicContact CZ-CG2 3.63Å |
| 64 | L | 94.4 | Very high | 94.2 | Very high | 79 Ų | 79 | 86.4 Ų | 86.4 | 41% | 0.414 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 177.4 | -69.6 | 175.3 | 0 | 0 | 0 | 112.3 | R60 E61 C66 L67 L68 | R60-L64 HydrophobicContact CG-CD1 4.12Å; R60-L64 HydrophobicContact CG-CG 4.41Å; R60-L64 WeakPolarHBondContact O-CB 3.09Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 2.9Å; E61-L64 PolarHBondContact O-N 3.48Å; L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 2.89Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L64-L67 PolarHBondContact O-N 2.84Å; L64-L68 PolarHBondContact O-N 3.06Å |
| 65 | R | 95.6 | Very high | 94.8 | Very high | 166 Ų | 166 | 80.3 Ų | 80.3 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.5 | -36 | 172.7 | -72.7 | 175.5 | -179 | -102.3 | 5.4 | 111.8 | E61 R62 F63 L68 A69 | E61-R65 WeakPolarHBondContact O-CG 3.15Å; E61-R65 PolarHBondContact O-N 3.18Å; E61-R65 IonicContact OE1-CZ 3.18Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.14Å; E61-R65 IonicContact OE1-NH2 2.7Å; E61-R65 PolarHBondContact OE1-NH2 2.83Å; R62-R65 PolarHBondContact O-N 3.03Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 2.83Å; R65-L68 PolarHBondContact O-N 3.41Å; R65-A69 WeakPolarHBondContact O-CB 3.48Å; R65-A69 PolarHBondContact O-N 2.8Å |
| 66 | C | 94.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 83.3 Ų | 83.3 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 173.8 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | R62 F63 L64 L68 A69 M70 | R62-C66 PolarHBondContact O-N 3.48Å; F63-C66 VanDerWaalsContact O-CB 3.26Å; F63-C66 WeakPolarHBondContact O-CB 3.34Å; F63-C66 PolarHBondContact O-N 3.44Å; F63-C66 VanDerWaalsContact O-N 3.13Å; L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 2.89Å; C66-L68 VanDerWaalsContact C-N 3.27Å; C66-L68 PolarHBondContact O-N 3.15Å; C66-A69 PolarHBondContact O-N 2.66Å; C66-A69 VanDerWaalsContact O-N 3.14Å; C66-M70 PolarHBondContact O-N 3.47Å |
| 67 | L | 93.6 | Very high | 95.7 | Very high | 20 Ų | 20 | 79 Ų | 79 | 11% | 0.105 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 175.5 | -65.6 | -179 | 0 | 0 | 0 | 111.9 | F63 L64 M70 S71 V96 | F63-L67 HydrophobicContact CD1-CD1 4.25Å; F63-L67 HydrophobicContact CE1-CD1 3.65Å; F63-L67 HydrophobicContact CE1-CG 4.14Å; F63-L67 HydrophobicContact CZ-CD1 4.1Å; F63-L67 HydrophobicContact CZ-CD2 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.27Å; F63-L67 PolarHBondContact O-N 3.28Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L64-L67 PolarHBondContact O-N 2.84Å; L67-M70 HydrophobicContact CD2-CE 3.85Å; L67-M70 WeakPolarHBondContact O-CB 3.5Å; L67-M70 PolarHBondContact O-N 3.03Å; L67-S71 PolarHBondContact O-N 2.77Å; L67-V96 HydrophobicContact CD1-CG2 4Å |
| 68 | L | 94.4 | Very high | 96 | Very high | 138 Ų | 138 | 78.6 Ų | 78.6 | 72% | 0.723 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 176.8 | -172.7 | 139 | 0 | 0 | 0 | 112 | L64 R65 C66 M70 S71 | L64-L68 PolarHBondContact O-N 3.06Å; R65-L68 PolarHBondContact O-N 3.41Å; C66-L68 VanDerWaalsContact C-N 3.27Å; C66-L68 PolarHBondContact O-N 3.15Å; L68-M70 PolarHBondContact O-N 3.42Å; L68-S71 WeakPolarHBondContact O-CB 3.42Å; L68-S71 PolarHBondContact O-N 3.35Å |
| 69 | A | 95.6 | Very high | 96 | Very high | 38 Ų | 38 | 78.1 Ų | 78.1 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -22.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R65 C66 K73 | R65-A69 WeakPolarHBondContact O-CB 3.48Å; R65-A69 PolarHBondContact O-N 2.8Å; C66-A69 PolarHBondContact O-N 2.66Å; C66-A69 VanDerWaalsContact O-N 3.14Å; A69-K73 WeakPolarHBondContact O-CD 3.46Å; A69-K73 WeakPolarHBondContact O-CE 3.48Å; A69-K73 PolarHBondContact O-NZ 2.96Å |
| 70 | M | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -81.6 | -17.9 | 176.2 | -170.4 | 171.8 | 58.8 | 0 | 0 | 112.8 | C66 L67 L68 N72 K73 V75 F89 F124 F126 | C66-M70 PolarHBondContact O-N 3.47Å; L67-M70 HydrophobicContact CD2-CE 3.85Å; L67-M70 WeakPolarHBondContact O-CB 3.5Å; L67-M70 PolarHBondContact O-N 3.03Å; L68-M70 PolarHBondContact O-N 3.42Å; M70-N72 PolarHBondContact O-N 3.2Å; M70-K73 VanDerWaalsContact O-CB 3.31Å; M70-K73 WeakPolarHBondContact O-CB 3.42Å; M70-K73 PolarHBondContact O-N 3.27Å; M70-K73 VanDerWaalsContact O-N 3.09Å; M70-V75 HydrophobicContact CG-CG2 3.46Å; M70-V75 VanDerWaalsContact CG-CG2 3.46Å; M70-V75 HydrophobicContact SD-CG1 4.09Å; M70-V75 HydrophobicContact SD-CG2 3.69Å; M70-F89 HydrophobicContact CB-CD1 4.02Å; M70-F89 HydrophobicContact CB-CE1 4.34Å; M70-F89 HydrophobicContact CE-CD1 3.77Å; M70-F89 HydrophobicContact CE-CD2 3.59Å; M70-F89 HydrophobicContact CE-CE1 3.68Å; M70-F89 HydrophobicContact CE-CE2 3.52Å; M70-F89 HydrophobicContact CE-CG 3.72Å; M70-F89 HydrophobicContact CE-CZ 3.54Å; M70-F89 HydrophobicContact CG-CB 4.02Å; M70-F89 HydrophobicContact CG-CD1 3.78Å; M70-F89 HydrophobicContact CG-CE1 4.43Å; M70-F89 HydrophobicContact CG-CG 3.88Å; M70-F89 WeakPolarHBondContact O-CD1 3.4Å; M70-F89 HydrophobicContact SD-CD1 4.49Å; M70-F89 HydrophobicContact SD-CD2 4.45Å; M70-F89 HydrophobicContact SD-CG 4.25Å; M70-F124 HydrophobicContact CE-CE2 3.93Å; M70-F124 HydrophobicContact CE-CZ 4.28Å; M70-F124 HydrophobicContact SD-CD2 3.65Å; M70-F124 HydrophobicContact SD-CE2 3.4Å; M70-F124 WeakPolarHBondContact SD-CE2 3.35Å; M70-F124 HydrophobicContact SD-CZ 4.31Å; M70-F126 HydrophobicContact CB-CD1 4.35Å; M70-F126 HydrophobicContact CB-CD2 4.23Å; M70-F126 HydrophobicContact CB-CE1 4.18Å; M70-F126 HydrophobicContact CB-CE2 4.04Å; M70-F126 HydrophobicContact CB-CG 4.37Å; M70-F126 HydrophobicContact CB-CZ 4.02Å; M70-F126 HydrophobicContact CG-CB 4.38Å; M70-F126 HydrophobicContact CG-CD1 3.97Å; M70-F126 HydrophobicContact CG-CD2 4.2Å; M70-F126 HydrophobicContact CG-CE1 4.27Å; M70-F126 HydrophobicContact CG-CE2 4.48Å; M70-F126 HydrophobicContact CG-CG 3.93Å; M70-F126 HydrophobicContact SD-CD1 3.84Å; M70-F126 HydrophobicContact SD-CE1 4.17Å; M70-F126 HydrophobicContact SD-CG 4.34Å |
| 71 | S | 95.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 81.9 Ų | 81.9 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 130.8 | -179.3 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | L67 L68 K73 | L67-S71 PolarHBondContact O-N 2.77Å; L68-S71 WeakPolarHBondContact O-CB 3.42Å; L68-S71 PolarHBondContact O-N 3.35Å; S71-K73 PolarHBondContact O-N 2.78Å |
| 72 | N | 96.8 | Very high | 95.7 | Very high | 132 Ų | 132 | 86.8 Ų | 86.8 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 24.7 | -179.8 | -161 | 41.9 | 0 | 0 | 0 | 114.3 | M70 F89 | M70-N72 PolarHBondContact O-N 3.2Å; N72-F89 WeakPolarHBondContact CA-O 3.31Å; N72-F89 PolarHBondContact N-O 2.97Å |
| 73 | K | 97.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 81 Ų | 81 | 24% | 0.235 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -105.7 | 156.1 | 173.7 | -63 | -169.4 | 171.4 | 177.6 | 0 | 111.3 | A69 M70 S71 V75 T88 F89 F126 D127 V128 | A69-K73 WeakPolarHBondContact O-CD 3.46Å; A69-K73 WeakPolarHBondContact O-CE 3.48Å; A69-K73 PolarHBondContact O-NZ 2.96Å; M70-K73 VanDerWaalsContact O-CB 3.31Å; M70-K73 WeakPolarHBondContact O-CB 3.42Å; M70-K73 PolarHBondContact O-N 3.27Å; M70-K73 VanDerWaalsContact O-N 3.09Å; S71-K73 PolarHBondContact O-N 2.78Å; K73-V75 PolarHBondContact O-N 3.37Å; K73-T88 WeakPolarHBondContact O-CA 3.33Å; K73-F89 PolarHBondContact O-N 3.37Å; K73-F126 HydrophobicContact CD-CD2 3.9Å; K73-F126 HydrophobicContact CD-CE2 4.39Å; K73-D127 VanDerWaalsContact CD-O 3.28Å; K73-D127 WeakPolarHBondContact CD-O 3.35Å; K73-D127 PolarHBondContact NZ-O 3.35Å; K73-V128 VanDerWaalsContact NZ-C 3.32Å; K73-V128 PolarHBondContact NZ-OXT 3.09Å |
| 74 | K | 98.1 | Very high | 95.7 | Very high | 131 Ų | 131 | 82.1 Ų | 82.1 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.2 | 166.9 | -73.2 | -174.5 | 159.7 | -143.4 | 0 | 109.8 | E86 A87 | K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 WeakPolarHBondContact CE-OE1 3.46Å; K74-E86 IonicContact NZ-OE1 3.86Å; K74-E86 PolarHBondContact NZ-OE1 3.26Å; K74-A87 WeakPolarHBondContact CA-O 3.48Å |
| 75 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.5 | -179.8 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | M70 K73 F77 E86 A87 F89 F124 T125 F126 | M70-V75 HydrophobicContact CG-CG2 3.46Å; M70-V75 VanDerWaalsContact CG-CG2 3.46Å; M70-V75 HydrophobicContact SD-CG1 4.09Å; M70-V75 HydrophobicContact SD-CG2 3.69Å; K73-V75 PolarHBondContact O-N 3.37Å; V75-F77 HydrophobicContact CB-CD2 4.44Å; V75-F77 HydrophobicContact CB-CE2 3.74Å; V75-F77 HydrophobicContact CB-CZ 3.99Å; V75-F77 HydrophobicContact CG1-CD2 4.17Å; V75-F77 HydrophobicContact CG1-CE1 4.09Å; V75-F77 HydrophobicContact CG1-CE2 3.7Å; V75-F77 HydrophobicContact CG1-CZ 3.65Å; V75-E86 WeakPolarHBondContact O-CA 3.49Å; V75-A87 PolarHBondContact N-O 3.38Å; V75-A87 PolarHBondContact O-N 2.86Å; V75-F89 HydrophobicContact CB-CB 4.4Å; V75-F89 HydrophobicContact CG2-CB 3.48Å; V75-F89 VanDerWaalsContact CG2-CB 3.48Å; V75-F89 HydrophobicContact CG2-CG 4.42Å; V75-F124 HydrophobicContact CG1-CB 3.76Å; V75-F124 HydrophobicContact CG1-CD2 3.97Å; V75-F124 HydrophobicContact CG1-CG 4.21Å; V75-T125 WeakPolarHBondContact CA-O 3.17Å; V75-F126 HydrophobicContact CG2-CB 3.95Å |
| 76 | R | 98.3 | Very high | 96 | Very high | 115 Ų | 115 | 73.6 Ų | 73.6 | 43% | 0.434 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.9 | 170.9 | -69.4 | -173.8 | -62.7 | -92.1 | -3.9 | 109.3 | V85 E86 F124 T125 | R76-V85 CarbonylContact C-O 3.56Å; R76-V85 WeakPolarHBondContact CA-O 3.12Å; R76-E86 HydrophobicContact CG-CG 4.45Å; R76-F124 CarbonylContact O-C 3.5Å; R76-F124 WeakPolarHBondContact O-CA 3.43Å; R76-T125 PolarHBondContact N-O 3.39Å; R76-T125 PolarHBondContact O-N 3.19Å |
| 77 | F | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.2 | 175.1 | -59.2 | -94.3 | 0 | 0 | 0 | 109.6 | V75 M79 N84 V85 A87 F99 V101 I116 V121 F124 | V75-F77 HydrophobicContact CB-CD2 4.44Å; V75-F77 HydrophobicContact CB-CE2 3.74Å; V75-F77 HydrophobicContact CB-CZ 3.99Å; V75-F77 HydrophobicContact CG1-CD2 4.17Å; V75-F77 HydrophobicContact CG1-CE1 4.09Å; V75-F77 HydrophobicContact CG1-CE2 3.7Å; V75-F77 HydrophobicContact CG1-CZ 3.65Å; F77-M79 HydrophobicContact CB-CG 4.47Å; F77-N84 WeakPolarHBondContact O-CA 3.2Å; F77-V85 HydrophobicContact CB-CG2 3.77Å; F77-V85 HydrophobicContact CD2-CG2 4.34Å; F77-V85 HydrophobicContact CG-CG2 4.45Å; F77-V85 PolarHBondContact N-O 3.41Å; F77-V85 PolarHBondContact O-N 2.93Å; F77-A87 HydrophobicContact CE2-CB 4.28Å; F77-F99 HydrophobicContact CE1-CB 4.46Å; F77-F99 HydrophobicContact CE1-CD2 4.08Å; F77-F99 HydrophobicContact CE1-CG 4.19Å; F77-V101 HydrophobicContact CE2-CG1 4.05Å; F77-V101 HydrophobicContact CZ-CG1 3.96Å; F77-I116 HydrophobicContact CD1-CD1 4.49Å; F77-I116 HydrophobicContact CD2-CD1 4.03Å; F77-I116 HydrophobicContact CE2-CD1 4.12Å; F77-I116 HydrophobicContact CG-CD1 4.23Å; F77-I116 HydrophobicContact CZ-CD1 4.4Å; F77-V121 HydrophobicContact CD1-CG1 4.04Å; F77-V121 HydrophobicContact CD1-CG2 4.01Å; F77-F124 HydrophobicContact CD1-CB 3.69Å; F77-F124 HydrophobicContact CD1-CG 4.45Å; F77-F124 HydrophobicContact CE1-CB 3.98Å; F77-F124 HydrophobicContact CE1-CG 4.35Å; F77-F124 HydrophobicContact CG-CB 4.3Å |
| 78 | H | 97.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 71.4 Ų | 71.4 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.6 | 170.9 | -59.4 | 82.7 | 0 | 0 | 0 | 107.5 | N84 I122 S123 | H78-N84 PolarHBondContact CD2-OD1 2.99Å; H78-I122 WeakPolarHBondContact O-CB 3.41Å; H78-I122 PolarHBondContact O-N 3.08Å; H78-S123 PolarHBondContact N-O 3.32Å; H78-S123 PolarHBondContact ND1-OG 2.82Å; H78-S123 PolarHBondContact O-N 2.7Å |
| 79 | M | 96.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 65 Ų | 65 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 176 | -174 | -56.5 | -175.9 | 76.6 | 0 | 0 | 110.8 | F77 V83 V85 I116 D120 I122 | F77-M79 HydrophobicContact CB-CG 4.47Å; M79-V83 HydrophobicContact CB-CB 4.24Å; M79-V83 WeakPolarHBondContact CB-O 3.22Å; M79-V83 PolarHBondContact N-O 3.11Å; M79-V85 HydrophobicContact CG-CG2 4.34Å; M79-V85 HydrophobicContact SD-CG1 4.22Å; M79-V85 HydrophobicContact SD-CG2 3.65Å; M79-I116 HydrophobicContact CE-CG2 4.14Å; M79-D120 VanDerWaalsContact CA-O 3.26Å; M79-D120 WeakPolarHBondContact CA-O 3.48Å; M79-D120 WeakPolarHBondContact CB-O 3.46Å; M79-D120 HydrophobicContact CE-CB 3.51Å; M79-I122 WeakPolarHBondContact O-CD1 3.05Å |
| 80 | H | 94.8 | Very high | 96.7 | Very high | 107 Ų | 107 | 64.6 Ų | 64.6 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -57.6 | 161.6 | 169.7 | -71.1 | -79.6 | 0 | 0 | 0 | 112 | K82 V83 Q119 | H80-K82 PolarHBondContact O-N 3.49Å; H80-V83 PolarHBondContact O-N 2.84Å; H80-Q119 PolarHBondContact NE2-O 2.96Å |
| 81 | E | 93.4 | Very high | 96.7 | Very high | 175 Ų | 175 | 66.8 Ų | 66.8 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | 59.1 | 26.3 | -178.3 | -54.1 | -54.1 | 140.3 | 0 | 0 | 114.9 | V83 | E81-V83 HydrophobicContact CB-CG2 4.34Å; E81-V83 PolarHBondContact O-N 3.38Å |
| 82 | K | 91.2 | Very high | 96.7 | Very high | 196 Ų | 196 | 65.3 Ų | 65.3 | 85% | 0.852 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | 58.4 | 26.1 | -179.1 | -54.1 | 177.1 | -178.9 | 175.8 | 0 | 113.3 | H80 | H80-K82 PolarHBondContact O-N 3.49Š|
| 83 | V | 94.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 61.6 Ų | 61.6 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | trans | -79.8 | 124.3 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | M79 H80 E81 V85 | M79-V83 HydrophobicContact CB-CB 4.24Å; M79-V83 WeakPolarHBondContact CB-O 3.22Å; M79-V83 PolarHBondContact N-O 3.11Å; H80-V83 PolarHBondContact O-N 2.84Å; E81-V83 HydrophobicContact CB-CG2 4.34Å; E81-V83 PolarHBondContact O-N 3.38Å; V83-V85 HydrophobicContact CG1-CG1 3.88Å | ||
| 84 | N | 96.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.1 | 174.6 | -58.5 | -45.1 | 0 | 0 | 0 | 108.4 | F77 H78 | F77-N84 WeakPolarHBondContact O-CA 3.2Å; H78-N84 PolarHBondContact CD2-OD1 2.99Å |
| 85 | V | 97.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.3 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | R76 F77 M79 V83 L104 H105 | R76-V85 CarbonylContact C-O 3.56Å; R76-V85 WeakPolarHBondContact CA-O 3.12Å; F77-V85 HydrophobicContact CB-CG2 3.77Å; F77-V85 HydrophobicContact CD2-CG2 4.34Å; F77-V85 HydrophobicContact CG-CG2 4.45Å; F77-V85 PolarHBondContact N-O 3.41Å; F77-V85 PolarHBondContact O-N 2.93Å; M79-V85 HydrophobicContact CG-CG2 4.34Å; M79-V85 HydrophobicContact SD-CG1 4.22Å; M79-V85 HydrophobicContact SD-CG2 3.65Å; V83-V85 HydrophobicContact CG1-CG1 3.88Å; V85-L104 HydrophobicContact CB-CD1 3.68Å; V85-L104 HydrophobicContact CG1-CD1 4.4Å; V85-L104 HydrophobicContact CG2-CD1 3.65Å; V85-H105 WeakPolarHBondContact CB-O 3.4Å |
| 86 | E | 98.3 | Very high | 94.5 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.2 | 173.6 | -175.8 | 176.4 | 112.9 | 0 | 0 | 108.8 | K74 V75 R76 H105 | K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 WeakPolarHBondContact CE-OE1 3.46Å; K74-E86 IonicContact NZ-OE1 3.86Å; K74-E86 PolarHBondContact NZ-OE1 3.26Å; V75-E86 WeakPolarHBondContact O-CA 3.49Å; R76-E86 HydrophobicContact CG-CG 4.45Å; E86-H105 WeakPolarHBondContact O-CB 3.45Å; E86-H105 PolarHBondContact O-N 3.44Å |
| 87 | A | 98.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 162.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | K74 V75 F77 V101 L104 | K74-A87 WeakPolarHBondContact CA-O 3.48Å; V75-A87 PolarHBondContact N-O 3.38Å; V75-A87 PolarHBondContact O-N 2.86Å; F77-A87 HydrophobicContact CE2-CB 4.28Å; A87-V101 HydrophobicContact CB-CB 3.64Å; A87-V101 HydrophobicContact CB-CG1 4.15Å; A87-V101 HydrophobicContact CB-CG2 3.74Å; A87-L104 HydrophobicContact CB-CB 4.11Å; A87-L104 HydrophobicContact CB-CD1 3.81Å |
| 88 | T | 98.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.9 | 167.8 | -58.7 | 0 | 0 | 0 | 0 | 108.4 | K73 G90 V101 S102 | K73-T88 WeakPolarHBondContact O-CA 3.33Å; T88-G90 PolarHBondContact O-N 3.46Å; T88-V101 CarbonylContact O-C 3.58Å; T88-V101 VanDerWaalsContact O-CA 3.23Å; T88-V101 WeakPolarHBondContact O-CA 3.28Å; T88-V101 WeakPolarHBondContact O-CB 3.41Å; T88-S102 WeakPolarHBondContact CB-OG 3.19Å; T88-S102 PolarHBondContact N-O 2.91Å; T88-S102 PolarHBondContact O-N 3.46Å |
| 89 | F | 98.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.8 | 177.9 | 175.7 | -97.1 | 0 | 0 | 0 | 110.8 | M70 N72 K73 V75 A91 F99 | M70-F89 HydrophobicContact CB-CD1 4.02Å; M70-F89 HydrophobicContact CB-CE1 4.34Å; M70-F89 HydrophobicContact CE-CD1 3.77Å; M70-F89 HydrophobicContact CE-CD2 3.59Å; M70-F89 HydrophobicContact CE-CE1 3.68Å; M70-F89 HydrophobicContact CE-CE2 3.52Å; M70-F89 HydrophobicContact CE-CG 3.72Å; M70-F89 HydrophobicContact CE-CZ 3.54Å; M70-F89 HydrophobicContact CG-CB 4.02Å; M70-F89 HydrophobicContact CG-CD1 3.78Å; M70-F89 HydrophobicContact CG-CE1 4.43Å; M70-F89 HydrophobicContact CG-CG 3.88Å; M70-F89 WeakPolarHBondContact O-CD1 3.4Å; M70-F89 HydrophobicContact SD-CD1 4.49Å; M70-F89 HydrophobicContact SD-CD2 4.45Å; M70-F89 HydrophobicContact SD-CG 4.25Å; N72-F89 WeakPolarHBondContact CA-O 3.31Å; N72-F89 PolarHBondContact N-O 2.97Å; K73-F89 PolarHBondContact O-N 3.37Å; V75-F89 HydrophobicContact CB-CB 4.4Å; V75-F89 HydrophobicContact CG2-CB 3.48Å; V75-F89 VanDerWaalsContact CG2-CB 3.48Å; V75-F89 HydrophobicContact CG2-CG 4.42Å; F89-A91 VanDerWaalsContact CE2-O 3.32Å; F89-A91 WeakPolarHBondContact CE2-O 3.4Å; F89-F99 HydrophobicContact CE2-CB 4.33Å; F89-F99 AromaticContact CE2-CD1 3.84Å; F89-F99 HydrophobicContact CE2-CD1 3.84Å |
| 90 | G | 97.4 | Very high | 94 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -61.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T88 Q100 | T88-G90 PolarHBondContact O-N 3.46Å; G90-Q100 VanDerWaalsContact CA-OE1 3.26Å; G90-Q100 PolarHBondContact N-O 3.43Å |
| 91 | A | 96.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 163.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F89 F99 Q100 | F89-A91 VanDerWaalsContact CE2-O 3.32Å; F89-A91 WeakPolarHBondContact CE2-O 3.4Å; A91-F99 CarbonylContact O-C 3.59Å; A91-F99 WeakPolarHBondContact O-CA 3.31Å; A91-Q100 PolarHBondContact N-O 2.9Å; A91-Q100 PolarHBondContact O-N 2.93Å |
| 92 | S | 95.3 | Very high | 94.4 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 151.4 | 167.8 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | V96 N98 | S92-V96 WeakPolarHBondContact OG-CA 3.29Å; S92-N98 WeakPolarHBondContact CA-O 3.39Å; S92-N98 PolarHBondContact OG-O 3.45Å |
| 93 | D | 89.6 | Confident | 94.8 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | trans | -66.4 | 164.8 | 161.4 | 58.9 | 2.4 | 0 | 0 | 0 | 111.1 | D95 V96 L97 N98 | D93-D95 PolarHBondContact O-N 3.4Å; D93-V96 PolarHBondContact O-N 2.87Å; D93-V96 WeakPolarHBondContact OD1-CA 3.28Å; D93-V96 PolarHBondContact OD1-N 3.31Å; D93-L97 PolarHBondContact OD1-N 3.27Å; D93-L97 WeakPolarHBondContact OD2-CB 3.49Å; D93-N98 PolarHBondContact N-O 3.13Å; D93-N98 PolarHBondContact OD1-N 3.32Å; D93-N98 VanDerWaalsContact OD1-N 3.1Å; D93-N98 PolarHBondContact OD2-N 3.41Å; D93-N98 PolarHBondContact OD2-ND2 3Å | ||
| 94 | I | 81.4 | Confident | 94.9 | Very high | 123 Ų | 123 | 44.9 Ų | 44.9 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -35.2 | -176.3 | -167.7 | 168.5 | 0 | 0 | 0 | 111.5 | R60 V96 | R60-I94 PolarHBondContact NH2-O 3.39Å; I94-V96 VanDerWaalsContact C-N 3.31Å |
| 95 | D | 83.7 | Confident | 95 | Very high | 114 Ų | 114 | 44 Ų | 44 | 61% | 0.61 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.5 | -177.4 | -59.8 | -40.7 | 0 | 0 | 0 | 112.9 | D93 L97 | D93-D95 PolarHBondContact O-N 3.4Å; D95-L97 VanDerWaalsContact C-N 3.27Å; D95-L97 HydrophobicContact CB-CD1 4.2Å; D95-L97 HydrophobicContact CB-CG 3.96Å; D95-L97 PolarHBondContact O-N 3.06Å |
| 96 | V | 88.8 | Confident | 94.9 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 55.6 | 45.5 | -179.2 | -162.8 | 0 | 0 | 0 | 0 | 111.5 | F63 L67 S92 D93 I94 F99 S118 | F63-V96 HydrophobicContact CE1-CG2 3.53Å; F63-V96 HydrophobicContact CZ-CB 4.32Å; F63-V96 HydrophobicContact CZ-CG1 4.28Å; F63-V96 HydrophobicContact CZ-CG2 3.63Å; L67-V96 HydrophobicContact CD1-CG2 4Å; S92-V96 WeakPolarHBondContact OG-CA 3.29Å; D93-V96 PolarHBondContact O-N 2.87Å; D93-V96 WeakPolarHBondContact OD1-CA 3.28Å; D93-V96 PolarHBondContact OD1-N 3.31Å; I94-V96 VanDerWaalsContact C-N 3.31Å; V96-F99 HydrophobicContact CG1-CD1 4.48Å; V96-F99 HydrophobicContact CG1-CE1 3.46Å; V96-F99 VanDerWaalsContact CG1-CE1 3.46Å; V96-F99 HydrophobicContact CG1-CZ 3.6Å; V96-S118 VanDerWaalsContact O-CB 3.22Å; V96-S118 WeakPolarHBondContact O-CB 3.39Å; V96-S118 PolarHBondContact O-OG 3.47Å |
| 97 | L | 90.2 | Very high | 94.5 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 48% | 0.482 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -89.8 | -21.8 | 170.3 | -55.2 | 177.9 | 0 | 0 | 0 | 110.9 | D93 D95 R117 S118 | D93-L97 PolarHBondContact OD1-N 3.27Å; D93-L97 WeakPolarHBondContact OD2-CB 3.49Å; D95-L97 VanDerWaalsContact C-N 3.27Å; D95-L97 HydrophobicContact CB-CD1 4.2Å; D95-L97 HydrophobicContact CB-CG 3.96Å; D95-L97 PolarHBondContact O-N 3.06Å; L97-R117 CarbonylContact O-C 3.59Å; L97-R117 WeakPolarHBondContact O-CA 3.44Å; L97-S118 WeakPolarHBondContact CA-OG 3.43Å; L97-S118 PolarHBondContact O-N 3.39Å; L97-S118 PolarHBondContact O-OG 2.89Å |
| 98 | N | 94 | Very high | 94.2 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.1 | -175.9 | -52.9 | -81.6 | 0 | 0 | 0 | 112.4 | S92 D93 L115 I116 | S92-N98 WeakPolarHBondContact CA-O 3.39Å; S92-N98 PolarHBondContact OG-O 3.45Å; D93-N98 PolarHBondContact N-O 3.13Å; D93-N98 PolarHBondContact OD1-N 3.32Å; D93-N98 VanDerWaalsContact OD1-N 3.1Å; D93-N98 PolarHBondContact OD2-N 3.41Å; D93-N98 PolarHBondContact OD2-ND2 3Å; N98-L115 HydrophobicContact CB-CD1 3.77Å; N98-L115 HydrophobicContact CB-CD2 4.23Å; N98-L115 HydrophobicContact CB-CG 4Å; N98-I116 CarbonylContact C-O 3.58Å; N98-I116 WeakPolarHBondContact CA-O 3.48Å |
| 99 | F | 97.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.022 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.5 | 173.3 | -52.1 | -73 | 0 | 0 | 0 | 109.4 | F77 F89 A91 V96 V101 L115 I116 V121 F124 | F77-F99 HydrophobicContact CE1-CB 4.46Å; F77-F99 HydrophobicContact CE1-CD2 4.08Å; F77-F99 HydrophobicContact CE1-CG 4.19Å; F89-F99 HydrophobicContact CE2-CB 4.33Å; F89-F99 AromaticContact CE2-CD1 3.84Å; F89-F99 HydrophobicContact CE2-CD1 3.84Å; A91-F99 CarbonylContact O-C 3.59Å; A91-F99 WeakPolarHBondContact O-CA 3.31Å; V96-F99 HydrophobicContact CG1-CD1 4.48Å; V96-F99 HydrophobicContact CG1-CE1 3.46Å; V96-F99 VanDerWaalsContact CG1-CE1 3.46Å; V96-F99 HydrophobicContact CG1-CZ 3.6Å; F99-V101 HydrophobicContact CB-CG1 4.32Å; F99-L115 WeakPolarHBondContact O-CA 3.28Å; F99-I116 HydrophobicContact CB-CB 4.41Å; F99-I116 PolarHBondContact N-O 3.29Å; F99-I116 PolarHBondContact O-N 2.91Å; F99-V121 HydrophobicContact CD2-CG2 4.43Å; F99-V121 HydrophobicContact CE2-CG2 4.32Å; F99-F124 HydrophobicContact CE1-CE1 4.29Å; F99-F124 HydrophobicContact CZ-CD1 4.3Å; F99-F124 AromaticContact CZ-CE1 3.98Å; F99-F124 HydrophobicContact CZ-CE1 3.98Å |
| 100 | Q | 98.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.1 | 165.9 | -178.8 | -85.1 | -25.6 | 0 | 0 | 108.6 | G90 A91 E113 L115 | G90-Q100 VanDerWaalsContact CA-OE1 3.26Å; G90-Q100 PolarHBondContact N-O 3.43Å; A91-Q100 PolarHBondContact N-O 2.9Å; A91-Q100 PolarHBondContact O-N 2.93Å; Q100-E113 PolarHBondContact NE2-OE2 3.04Å; Q100-L115 HydrophobicContact CB-CD1 4.22Å |
| 101 | V | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.6 | -178.4 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | F77 A87 T88 F99 L104 A114 I116 | F77-V101 HydrophobicContact CE2-CG1 4.05Å; F77-V101 HydrophobicContact CZ-CG1 3.96Å; A87-V101 HydrophobicContact CB-CB 3.64Å; A87-V101 HydrophobicContact CB-CG1 4.15Å; A87-V101 HydrophobicContact CB-CG2 3.74Å; T88-V101 CarbonylContact O-C 3.58Å; T88-V101 VanDerWaalsContact O-CA 3.23Å; T88-V101 WeakPolarHBondContact O-CA 3.28Å; T88-V101 WeakPolarHBondContact O-CB 3.41Å; F99-V101 HydrophobicContact CB-CG1 4.32Å; V101-L104 HydrophobicContact CG2-CB 4.13Å; V101-A114 HydrophobicContact CG2-CB 3.95Å; V101-A114 PolarHBondContact N-O 3.43Å; V101-A114 PolarHBondContact O-N 3.02Å; V101-I116 HydrophobicContact CG1-CD1 4.2Å; V101-I116 HydrophobicContact CG2-CD1 3.89Å; V101-I116 HydrophobicContact CG2-CG1 4.1Å |
| 102 | S | 98.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 71.1 Ų | 71.1 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 160 | 168.5 | 74.6 | 0 | 0 | 0 | 0 | 110.7 | T88 L104 K112 | T88-S102 WeakPolarHBondContact CB-OG 3.19Å; T88-S102 PolarHBondContact N-O 2.91Å; T88-S102 PolarHBondContact O-N 3.46Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3Å; S102-K112 CarbonylContact C-O 3.52Å; S102-K112 WeakPolarHBondContact CA-O 3.03Å; S102-K112 WeakPolarHBondContact CB-O 3.21Å |
| 103 | D | 98.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 75 Ų | 75 | 40% | 0.401 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 48.6 | 177.6 | -53.4 | -61.2 | 0 | 0 | 0 | 112.6 | H105 V110 Q111 K112 | D103-H105 PolarHBondContact O-CE1 3.2Å; D103-H105 PolarHBondContact O-N 3.34Å; D103-H105 PolarHBondContact O-ND1 3.02Å; D103-V110 HydrophobicContact CB-CG1 4.42Å; D103-Q111 CarbonylContact C-O 3.55Å; D103-K112 PolarHBondContact N-O 3.05Å |
| 104 | L | 98.4 | Very high | 94.7 | Very high | 18 Ų | 18 | 73.4 Ų | 73.4 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 110.1 | 178.5 | 174.1 | 64.6 | 0 | 0 | 0 | 110.1 | V85 A87 V101 S102 T106 V110 Q111 A114 I116 | V85-L104 HydrophobicContact CB-CD1 3.68Å; V85-L104 HydrophobicContact CG1-CD1 4.4Å; V85-L104 HydrophobicContact CG2-CD1 3.65Å; A87-L104 HydrophobicContact CB-CB 4.11Å; A87-L104 HydrophobicContact CB-CD1 3.81Å; V101-L104 HydrophobicContact CG2-CB 4.13Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3Å; L104-T106 HydrophobicContact CD2-CG2 4.24Å; L104-T106 HydrophobicContact CG-CG2 4.01Å; L104-T106 PolarHBondContact O-N 3.14Å; L104-V110 WeakPolarHBondContact O-CA 3.26Å; L104-Q111 HydrophobicContact CB-CB 4.26Å; L104-Q111 PolarHBondContact N-O 2.77Å; L104-Q111 PolarHBondContact O-N 3.18Å; L104-A114 HydrophobicContact CB-CB 4.18Å; L104-A114 HydrophobicContact CD2-CB 3.57Å; L104-I116 HydrophobicContact CD1-CD1 4.04Å; L104-I116 HydrophobicContact CD2-CD1 4.43Å; L104-I116 HydrophobicContact CD2-CG1 4.42Å |
| 105 | H | 97.9 | Very high | 95.4 | Very high | 86 Ų | 86 | 73 Ų | 73 | 40% | 0.398 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 107.8 | 177.5 | -68 | 64.7 | 0 | 0 | 0 | 109.5 | V85 E86 D103 | V85-H105 WeakPolarHBondContact CB-O 3.4Å; E86-H105 WeakPolarHBondContact O-CB 3.45Å; E86-H105 PolarHBondContact O-N 3.44Å; D103-H105 PolarHBondContact O-CE1 3.2Å; D103-H105 PolarHBondContact O-N 3.34Å; D103-H105 PolarHBondContact O-ND1 3.02Å |
| 106 | T | 94.5 | Very high | 96.1 | Very high | 55 Ų | 55 | 68 Ų | 68 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 163 | 172.1 | 73.7 | 0 | 0 | 0 | 0 | 109.9 | L104 I108 G109 | L104-T106 HydrophobicContact CD2-CG2 4.24Å; L104-T106 HydrophobicContact CG-CG2 4.01Å; L104-T106 PolarHBondContact O-N 3.14Å; T106-I108 PolarHBondContact O-N 2.85Å; T106-I108 PolarHBondContact OG1-N 3.34Å; T106-G109 WeakPolarHBondContact CA-O 3.4Å; T106-G109 PolarHBondContact N-O 3.11Å; T106-G109 PolarHBondContact O-N 2.62Å; T106-G109 VanDerWaalsContact O-N 3.13Å; T106-G109 VanDerWaalsContact O-O 3.13Å; T106-G109 PolarHBondContact OG1-N 3.21Å; T106-G109 PolarHBondContact OG1-O 3.4Å |
| 107 | P | 89.8 | Confident | 96.5 | Very high | 120 Ų | 120 | 72.8 Ų | 72.8 | 78% | 0.779 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.7 | 176 | -27.2 | 36.1 | 0 | 0 | 0 | 114.8 | ||
| 108 | I | 93.3 | Very high | 96.7 | Very high | 172 Ų | 172 | 70 Ų | 70 | 88% | 0.882 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -19.6 | -176.1 | -51.8 | 175.1 | 0 | 0 | 0 | 111 | T106 | T106-I108 PolarHBondContact O-N 2.85Å; T106-I108 PolarHBondContact OG1-N 3.34Å |
| 109 | G | 95.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 74.9 Ų | 74.9 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.9 | -172 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T106 | T106-G109 WeakPolarHBondContact CA-O 3.4Å; T106-G109 PolarHBondContact N-O 3.11Å; T106-G109 PolarHBondContact O-N 2.62Å; T106-G109 VanDerWaalsContact O-N 3.13Å; T106-G109 VanDerWaalsContact O-O 3.13Å; T106-G109 PolarHBondContact OG1-N 3.21Å; T106-G109 PolarHBondContact OG1-O 3.4Å |
| 110 | V | 98 | Very high | 96.8 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.6 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 110 | D103 L104 | D103-V110 HydrophobicContact CB-CG1 4.42Å; L104-V110 WeakPolarHBondContact O-CA 3.26Å |
| 111 | Q | 97.8 | Very high | 96.7 | Very high | 113 Ų | 113 | 74.7 Ų | 74.7 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.2 | 172.2 | -177.4 | 71.7 | -4.9 | 0 | 0 | 108.9 | D103 L104 E113 A114 | D103-Q111 CarbonylContact C-O 3.55Å; L104-Q111 HydrophobicContact CB-CB 4.26Å; L104-Q111 PolarHBondContact N-O 2.77Å; L104-Q111 PolarHBondContact O-N 3.18Å; Q111-E113 VanDerWaalsContact C-N 3.34Å; Q111-E113 WeakPolarHBondContact CG-O 3.22Å; Q111-E113 PolarHBondContact O-N 3.11Å; Q111-A114 HydrophobicContact CG-CB 4.16Å |
| 112 | K | 97.8 | Very high | 96.6 | Very high | 167 Ų | 167 | 80.1 Ų | 80.1 | 73% | 0.726 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.5 | -43.8 | -174.5 | -72.2 | -172.4 | 175.9 | -176.4 | 0 | 113.2 | S102 D103 | S102-K112 CarbonylContact C-O 3.52Å; S102-K112 WeakPolarHBondContact CA-O 3.03Å; S102-K112 WeakPolarHBondContact CB-O 3.21Å; D103-K112 PolarHBondContact N-O 3.05Å |
| 113 | E | 98.1 | Very high | 96.6 | Very high | 112 Ų | 112 | 81.6 Ų | 81.6 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.4 | 180 | -66.4 | -62.8 | 153.8 | 0 | 0 | 109 | Q100 Q111 | Q100-E113 PolarHBondContact NE2-OE2 3.04Å; Q111-E113 VanDerWaalsContact C-N 3.34Å; Q111-E113 WeakPolarHBondContact CG-O 3.22Å; Q111-E113 PolarHBondContact O-N 3.11Å |
| 114 | A | 97.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 81 Ų | 81 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V101 L104 Q111 | V101-A114 HydrophobicContact CG2-CB 3.95Å; V101-A114 PolarHBondContact N-O 3.43Å; V101-A114 PolarHBondContact O-N 3.02Å; L104-A114 HydrophobicContact CB-CB 4.18Å; L104-A114 HydrophobicContact CD2-CB 3.57Å; Q111-A114 HydrophobicContact CG-CB 4.16Å |
| 115 | L | 97.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 82.9 Ų | 82.9 | 60% | 0.597 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 112.1 | 169 | -169.5 | 73.2 | 0 | 0 | 0 | 108 | N98 F99 Q100 | N98-L115 HydrophobicContact CB-CD1 3.77Å; N98-L115 HydrophobicContact CB-CD2 4.23Å; N98-L115 HydrophobicContact CB-CG 4Å; F99-L115 WeakPolarHBondContact O-CA 3.28Å; Q100-L115 HydrophobicContact CB-CD1 4.22Å |
| 116 | I | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 80.4 Ų | 80.4 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.7 | 176.7 | -56.1 | 174.9 | 0 | 0 | 0 | 108.1 | F77 M79 N98 F99 V101 L104 V121 | F77-I116 HydrophobicContact CD1-CD1 4.49Å; F77-I116 HydrophobicContact CD2-CD1 4.03Å; F77-I116 HydrophobicContact CE2-CD1 4.12Å; F77-I116 HydrophobicContact CG-CD1 4.23Å; F77-I116 HydrophobicContact CZ-CD1 4.4Å; M79-I116 HydrophobicContact CE-CG2 4.14Å; N98-I116 CarbonylContact C-O 3.58Å; N98-I116 WeakPolarHBondContact CA-O 3.48Å; F99-I116 HydrophobicContact CB-CB 4.41Å; F99-I116 PolarHBondContact N-O 3.29Å; F99-I116 PolarHBondContact O-N 2.91Å; V101-I116 HydrophobicContact CG1-CD1 4.2Å; V101-I116 HydrophobicContact CG2-CD1 3.89Å; V101-I116 HydrophobicContact CG2-CG1 4.1Å; L104-I116 HydrophobicContact CD1-CD1 4.04Å; L104-I116 HydrophobicContact CD2-CD1 4.43Å; L104-I116 HydrophobicContact CD2-CG1 4.42Å; I116-V121 HydrophobicContact CG2-CG2 3.38Å |
| 117 | R | 97.3 | Very high | 96.5 | Very high | 125 Ų | 125 | 83.7 Ų | 83.7 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 142.6 | 174.4 | -56.1 | 173.8 | -63.2 | 170.2 | 5.7 | 109.3 | L97 Q119 D120 | L97-R117 CarbonylContact O-C 3.59Å; L97-R117 WeakPolarHBondContact O-CA 3.44Å; R117-Q119 PolarHBondContact O-N 3.26Å; R117-D120 WeakPolarHBondContact CB-OD2 3.38Å; R117-D120 IonicContact CZ-OD1 3.69Å; R117-D120 IonicContact CZ-OD2 3.36Å; R117-D120 IonicContact NE-OD1 2.84Å; R117-D120 IonicContact NE-OD2 2.93Å; R117-D120 PolarHBondContact NE-OD2 3Å; R117-D120 VanDerWaalsContact NH2-CG 3.34Å; R117-D120 IonicContact NH2-OD1 2.82Å; R117-D120 PolarHBondContact NH2-OD1 3.03Å; R117-D120 IonicContact NH2-OD2 3.02Å; R117-D120 PolarHBondContact NH2-OD2 3.46Å; R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 2.95Å |
| 118 | S | 94.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 85.9 Ų | 85.9 | 24% | 0.238 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -62 | -28.6 | 178.4 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | V96 L97 D120 V121 | V96-S118 VanDerWaalsContact O-CB 3.22Å; V96-S118 WeakPolarHBondContact O-CB 3.39Å; V96-S118 PolarHBondContact O-OG 3.47Å; L97-S118 WeakPolarHBondContact CA-OG 3.43Å; L97-S118 PolarHBondContact O-N 3.39Å; L97-S118 PolarHBondContact O-OG 2.89Å; S118-D120 PolarHBondContact O-N 3.26Å; S118-V121 PolarHBondContact O-N 2.95Å |
| 119 | Q | 96.3 | Very high | 96.4 | Very high | 145 Ų | 145 | 81.6 Ų | 81.6 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -62.5 | -24.1 | 173.8 | -65.4 | 177.9 | -1.6 | 0 | 0 | 113.5 | H80 R117 V121 | H80-Q119 PolarHBondContact NE2-O 2.96Å; R117-Q119 PolarHBondContact O-N 3.26Å; Q119-V121 VanDerWaalsContact C-N 3.33Å |
| 120 | D | 96.2 | Very high | 96.5 | Very high | 46 Ų | 46 | 84.1 Ų | 84.1 | 25% | 0.246 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -87.5 | -8.5 | 178.1 | -56.8 | -44 | 0 | 0 | 0 | 111.6 | M79 R117 S118 | M79-D120 VanDerWaalsContact CA-O 3.26Å; M79-D120 WeakPolarHBondContact CA-O 3.48Å; M79-D120 WeakPolarHBondContact CB-O 3.46Å; M79-D120 HydrophobicContact CE-CB 3.51Å; R117-D120 WeakPolarHBondContact CB-OD2 3.38Å; R117-D120 IonicContact CZ-OD1 3.69Å; R117-D120 IonicContact CZ-OD2 3.36Å; R117-D120 IonicContact NE-OD1 2.84Å; R117-D120 IonicContact NE-OD2 2.93Å; R117-D120 PolarHBondContact NE-OD2 3Å; R117-D120 VanDerWaalsContact NH2-CG 3.34Å; R117-D120 IonicContact NH2-OD1 2.82Å; R117-D120 PolarHBondContact NH2-OD1 3.03Å; R117-D120 IonicContact NH2-OD2 3.02Å; R117-D120 PolarHBondContact NH2-OD2 3.46Å; R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 2.95Å; S118-D120 PolarHBondContact O-N 3.26Å |
| 121 | V | 96.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 84.3 Ų | 84.3 | 12% | 0.121 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.3 | -173.2 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | F77 F99 I116 S118 Q119 S123 | F77-V121 HydrophobicContact CD1-CG1 4.04Å; F77-V121 HydrophobicContact CD1-CG2 4.01Å; F99-V121 HydrophobicContact CD2-CG2 4.43Å; F99-V121 HydrophobicContact CE2-CG2 4.32Å; I116-V121 HydrophobicContact CG2-CG2 3.38Å; S118-V121 PolarHBondContact O-N 2.95Å; Q119-V121 VanDerWaalsContact C-N 3.33Å; V121-S123 WeakPolarHBondContact CG1-O 3.47Å |
| 122 | I | 97.1 | Very high | 96.3 | Very high | 113 Ų | 113 | 82.6 Ų | 82.6 | 58% | 0.579 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -44.7 | 172.7 | -59.1 | 173.1 | 0 | 0 | 0 | 109.9 | H78 M79 | H78-I122 WeakPolarHBondContact O-CB 3.41Å; H78-I122 PolarHBondContact O-N 3.08Å; M79-I122 WeakPolarHBondContact O-CD1 3.05Å |
| 123 | S | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 77.3 Ų | 77.3 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 164.1 | 178.5 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | H78 V121 | H78-S123 PolarHBondContact N-O 3.32Å; H78-S123 PolarHBondContact ND1-OG 2.82Å; H78-S123 PolarHBondContact O-N 2.7Å; V121-S123 WeakPolarHBondContact CG1-O 3.47Å |
| 124 | F | 96.7 | Very high | 96.1 | Very high | 62 Ų | 62 | 75 Ų | 75 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.6 | 170.7 | 63 | -94 | 0 | 0 | 0 | 111.3 | M70 V75 R76 F77 F99 F126 | M70-F124 HydrophobicContact CE-CE2 3.93Å; M70-F124 HydrophobicContact CE-CZ 4.28Å; M70-F124 HydrophobicContact SD-CD2 3.65Å; M70-F124 HydrophobicContact SD-CE2 3.4Å; M70-F124 WeakPolarHBondContact SD-CE2 3.35Å; M70-F124 HydrophobicContact SD-CZ 4.31Å; V75-F124 HydrophobicContact CG1-CB 3.76Å; V75-F124 HydrophobicContact CG1-CD2 3.97Å; V75-F124 HydrophobicContact CG1-CG 4.21Å; R76-F124 CarbonylContact O-C 3.5Å; R76-F124 WeakPolarHBondContact O-CA 3.43Å; F77-F124 HydrophobicContact CD1-CB 3.69Å; F77-F124 HydrophobicContact CD1-CG 4.45Å; F77-F124 HydrophobicContact CE1-CB 3.98Å; F77-F124 HydrophobicContact CE1-CG 4.35Å; F77-F124 HydrophobicContact CG-CB 4.3Å; F99-F124 HydrophobicContact CE1-CE1 4.29Å; F99-F124 HydrophobicContact CZ-CD1 4.3Å; F99-F124 AromaticContact CZ-CE1 3.98Å; F99-F124 HydrophobicContact CZ-CE1 3.98Å; F124-F126 HydrophobicContact CE2-CD1 4.46Å |
| 125 | T | 97.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 78.8 Ų | 78.8 | 36% | 0.356 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.9 | -179 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | V75 R76 | V75-T125 WeakPolarHBondContact CA-O 3.17Å; R76-T125 PolarHBondContact N-O 3.39Å; R76-T125 PolarHBondContact O-N 3.19Å |
| 126 | F | 97.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 76.1 Ų | 76.1 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 156.2 | 178.6 | 74.1 | -81.3 | 0 | 0 | 0 | 110 | M70 K73 V75 F124 V128 | M70-F126 HydrophobicContact CB-CD1 4.35Å; M70-F126 HydrophobicContact CB-CD2 4.23Å; M70-F126 HydrophobicContact CB-CE1 4.18Å; M70-F126 HydrophobicContact CB-CE2 4.04Å; M70-F126 HydrophobicContact CB-CG 4.37Å; M70-F126 HydrophobicContact CB-CZ 4.02Å; M70-F126 HydrophobicContact CG-CB 4.38Å; M70-F126 HydrophobicContact CG-CD1 3.97Å; M70-F126 HydrophobicContact CG-CD2 4.2Å; M70-F126 HydrophobicContact CG-CE1 4.27Å; M70-F126 HydrophobicContact CG-CE2 4.48Å; M70-F126 HydrophobicContact CG-CG 3.93Å; M70-F126 HydrophobicContact SD-CD1 3.84Å; M70-F126 HydrophobicContact SD-CE1 4.17Å; M70-F126 HydrophobicContact SD-CG 4.34Å; K73-F126 HydrophobicContact CD-CD2 3.9Å; K73-F126 HydrophobicContact CD-CE2 4.39Å; V75-F126 HydrophobicContact CG2-CB 3.95Å; F124-F126 HydrophobicContact CE2-CD1 4.46Å; F126-V128 HydrophobicContact CE2-CG2 3.87Å; F126-V128 HydrophobicContact CZ-CG2 4.16Å |
| 127 | D | 95.4 | Very high | 95.6 | Very high | 123 Ų | 123 | 81.8 Ų | 81.8 | 66% | 0.658 | 43% | 0.43 | S | S | * | . | trans | -87.4 | 129.7 | 177.6 | -60 | -40.2 | 0 | 0 | 0 | 110 | K73 | K73-D127 VanDerWaalsContact CD-O 3.28Å; K73-D127 WeakPolarHBondContact CD-O 3.35Å; K73-D127 PolarHBondContact NZ-O 3.35Å | ||
| 128 | V | 85.2 | Confident | 95.5 | Very high | 166 Ų | 166 | 77.8 Ų | 77.8 | 100% | 1.006 | 43% | 0.426 | S | S | * | . | trans | -81.9 | 0 | -177.6 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | K73 F126 | K73-V128 VanDerWaalsContact NZ-C 3.32Å; K73-V128 PolarHBondContact NZ-OXT 3.09Å; F126-V128 HydrophobicContact CE2-CG2 3.87Å; F126-V128 HydrophobicContact CZ-CG2 4.16Å |
Retrieved 128 of 128 residues in 22.4 ms
(Link to these results)