| 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 | 42.6 | Very low | 59.3 | Low | 240 Ų | 240 | 133.5 Ų | 133.5 | 100% | 1.182 | 70% | 0.696 | S | S | * | * | 0 | 123.2 | 0 | -64.2 | 177.5 | 135.9 | 0 | 0 | 105.9 | |||||
| 2 | S | 54.2 | Low | 60.8 | Low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | cis | 176.6 | 94.5 | -0.5 | 25.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 3 | E | 50.9 | Low | 62.4 | Low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 68% | 0.677 | S | S | * | * | trans | -151.1 | 59.7 | -178.1 | -74.9 | -64.5 | 157.8 | 0 | 0 | 111.2 | ||||
| 4 | L | 53 | Low | 63.9 | Low | 149 Ų | 149 | 130.2 Ų | 130.2 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | trans | -130.4 | 12.1 | 177.5 | -75.4 | 177 | 0 | 0 | 0 | 114.9 | ||||
| 5 | F | 54 | Low | 65.1 | Low | 178 Ų | 178 | 127.7 Ų | 127.7 | 78% | 0.781 | 66% | 0.657 | S | S | * | * | trans | -118.5 | 2.9 | -168.5 | -66 | -73 | 0 | 0 | 0 | 119.7 | ||||
| 6 | P | 56.5 | Low | 66 | Low | 82 Ų | 82 | 130.1 Ų | 130.1 | 53% | 0.532 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -82.9 | -22.1 | 173.7 | 31.2 | -31.2 | 0 | 0 | 0 | 113.4 | S8 | P6-S8 PolarHBondContact O-N 3.46Š|
| 7 | V | 59.5 | Low | 66.9 | Low | 107 Ų | 107 | 128.7 Ų | 128.7 | 65% | 0.648 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.4 | -32.3 | -172.3 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | S11 | V7-S11 VanDerWaalsContact O-CB 3.22Å; V7-S11 WeakPolarHBondContact O-CB 3.08Å; V7-S11 PolarHBondContact O-N 3Å |
| 8 | S | 65.9 | Low | 67.6 | Low | 62 Ų | 62 | 128.2 Ų | 128.2 | 43% | 0.434 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.9 | -48.3 | -175.9 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | P6 L10 S11 F12 | P6-S8 PolarHBondContact O-N 3.46Å; S8-L10 PolarHBondContact O-N 2.94Å; S8-S11 PolarHBondContact O-N 2.94Å; S8-F12 WeakPolarHBondContact O-CD2 3.42Å; S8-F12 PolarHBondContact O-N 2.93Å; S8-F12 WeakPolarHBondContact OG-CE2 3.3Å |
| 9 | R | 64 | Low | 68.1 | Low | 204 Ų | 204 | 126.2 Ų | 126.2 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.3 | -41.2 | -176.8 | -68.7 | -170.7 | 176.3 | -153 | -0.4 | 113 | S11 F12 L13 | R9-S11 VanDerWaalsContact C-N 3.35Å; R9-F12 PolarHBondContact O-N 3.02Å; R9-L13 WeakPolarHBondContact O-CG 3.41Å; R9-L13 PolarHBondContact O-N 2.73Å; R9-L13 VanDerWaalsContact O-N 3.13Å |
| 10 | L | 73.3 | Confident | 68.4 | Low | 122 Ų | 122 | 123.8 Ų | 123.8 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.1 | -35.5 | 177 | -70.5 | 172 | 0 | 0 | 0 | 111.6 | S8 L13 L14 | S8-L10 PolarHBondContact O-N 2.94Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 PolarHBondContact O-N 2.93Å |
| 11 | S | 78.5 | Confident | 68.4 | Low | 57 Ų | 57 | 121.6 Ų | 121.6 | 40% | 0.399 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.2 | -45 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | V7 S8 R9 L13 L14 I15 | V7-S11 VanDerWaalsContact O-CB 3.22Å; V7-S11 WeakPolarHBondContact O-CB 3.08Å; V7-S11 PolarHBondContact O-N 3Å; S8-S11 PolarHBondContact O-N 2.94Å; R9-S11 VanDerWaalsContact C-N 3.35Å; S11-L13 PolarHBondContact O-N 3.49Å; S11-L14 PolarHBondContact O-N 2.87Å; S11-I15 WeakPolarHBondContact O-CD1 3.36Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.23Å; S11-I15 PolarHBondContact O-N 2.9Å |
| 12 | F | 77.1 | Confident | 69.4 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 61% | 0.614 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.3 | -42.5 | 175.5 | -79.9 | -67.7 | 0 | 0 | 0 | 112.6 | S8 R9 I15 W16 | S8-F12 WeakPolarHBondContact O-CD2 3.42Å; S8-F12 PolarHBondContact O-N 2.93Å; S8-F12 WeakPolarHBondContact OG-CE2 3.3Å; R9-F12 PolarHBondContact O-N 3.02Å; F12-I15 PolarHBondContact O-N 2.84Å; F12-W16 WeakPolarHBondContact O-CB 3.11Å; F12-W16 PolarHBondContact O-N 2.9Å |
| 13 | L | 82.1 | Confident | 69.4 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 176.5 | -69.5 | 171.5 | 0 | 0 | 0 | 111.9 | R9 L10 S11 W16 L17 | R9-L13 WeakPolarHBondContact O-CG 3.41Å; R9-L13 PolarHBondContact O-N 2.73Å; R9-L13 VanDerWaalsContact O-N 3.13Å; L10-L13 PolarHBondContact O-N 2.89Å; S11-L13 PolarHBondContact O-N 3.49Å; L13-W16 PolarHBondContact O-N 3.33Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.47Å |
| 14 | L | 82.6 | Confident | 69.3 | Low | 112 Ų | 112 | 109.9 Ų | 109.9 | 59% | 0.586 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -44.4 | 177.4 | -158.6 | 97.9 | 0 | 0 | 0 | 111.5 | L10 S11 W16 L17 L18 | L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 PolarHBondContact O-N 2.93Å; S11-L14 PolarHBondContact O-N 2.87Å; L14-W16 VanDerWaalsContact C-N 3.33Å; L14-W16 PolarHBondContact O-N 3Å; L14-L17 PolarHBondContact O-N 3.18Å; L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 PolarHBondContact O-N 2.96Å |
| 15 | I | 82 | Confident | 69.2 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 47% | 0.472 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.6 | -42.6 | 176.6 | -67.5 | 161.9 | 0 | 0 | 0 | 110.2 | S11 F12 L18 V19 | S11-I15 WeakPolarHBondContact O-CD1 3.36Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.23Å; S11-I15 PolarHBondContact O-N 2.9Å; F12-I15 PolarHBondContact O-N 2.84Å; I15-L18 PolarHBondContact O-N 2.88Å; I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.27Å; I15-V19 PolarHBondContact O-N 2.72Å |
| 16 | W | 79.2 | Confident | 68.9 | Low | 167 Ų | 167 | 107.5 Ų | 107.5 | 63% | 0.633 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.3 | -41.6 | -179.8 | -155.4 | 71.9 | 0 | 0 | 0 | 112.3 | F12 L13 L14 V19 L20 | F12-W16 WeakPolarHBondContact O-CB 3.11Å; F12-W16 PolarHBondContact O-N 2.9Å; L13-W16 PolarHBondContact O-N 3.33Å; L14-W16 VanDerWaalsContact C-N 3.33Å; L14-W16 PolarHBondContact O-N 3Å; W16-V19 PolarHBondContact O-N 3.5Å; W16-L20 HydrophobicContact CD2-CD1 3.93Å; W16-L20 HydrophobicContact CE3-CD1 4.11Å; W16-L20 HydrophobicContact CE3-CD2 4.34Å; W16-L20 HydrophobicContact CH2-CD1 4.21Å; W16-L20 HydrophobicContact CH2-CD2 4.18Å; W16-L20 HydrophobicContact CZ2-CD1 4.04Å; W16-L20 HydrophobicContact CZ3-CD1 4.24Å; W16-L20 HydrophobicContact CZ3-CD2 3.93Å; W16-L20 WeakPolarHBondContact O-CD1 3.39Å; W16-L20 PolarHBondContact O-N 3.24Å |
| 17 | L | 82 | Confident | 68.6 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 56% | 0.555 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.3 | -42.7 | 173.9 | -72.1 | 169.9 | 0 | 0 | 0 | 111.8 | L13 L14 V19 L20 S21 | L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.18Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 3.05Å; L17-L20 PolarHBondContact O-N 3.42Å; L17-S21 WeakPolarHBondContact O-CB 3.36Å; L17-S21 PolarHBondContact O-N 3.5Å; L17-S21 PolarHBondContact O-OG 2.93Å; L17-S21 VanDerWaalsContact O-OG 3.09Å |
| 18 | L | 79.4 | Confident | 67.8 | Low | 120 Ų | 120 | 112 Ų | 112 | 63% | 0.628 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.1 | -41.5 | 176.8 | -122.2 | 115.9 | 0 | 0 | 0 | 112.1 | L14 I15 S21 S22 | L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 PolarHBondContact O-N 2.96Å; I15-L18 PolarHBondContact O-N 2.88Å; L18-S21 PolarHBondContact O-N 3.35Å; L18-S22 WeakPolarHBondContact O-CB 3.4Å; L18-S22 PolarHBondContact O-N 2.97Å |
| 19 | V | 77.7 | Confident | 67.2 | Low | 90 Ų | 90 | 120 Ų | 120 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.7 | -43.8 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | I15 W16 L17 S21 S22 S23 | I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.27Å; I15-V19 PolarHBondContact O-N 2.72Å; W16-V19 PolarHBondContact O-N 3.5Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 3.05Å; V19-S21 PolarHBondContact O-N 3.25Å; V19-S22 PolarHBondContact O-N 3.44Å; V19-S23 PolarHBondContact O-N 3.38Å |
| 20 | L | 73.1 | Confident | 66.8 | Low | 77 Ų | 77 | 117.8 Ų | 117.8 | 40% | 0.403 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.4 | -44.8 | 175.3 | -101.9 | 72 | 0 | 0 | 0 | 111.4 | W16 L17 S22 S23 A24 | W16-L20 HydrophobicContact CD2-CD1 3.93Å; W16-L20 HydrophobicContact CE3-CD1 4.11Å; W16-L20 HydrophobicContact CE3-CD2 4.34Å; W16-L20 HydrophobicContact CH2-CD1 4.21Å; W16-L20 HydrophobicContact CH2-CD2 4.18Å; W16-L20 HydrophobicContact CZ2-CD1 4.04Å; W16-L20 HydrophobicContact CZ3-CD1 4.24Å; W16-L20 HydrophobicContact CZ3-CD2 3.93Å; W16-L20 WeakPolarHBondContact O-CD1 3.39Å; W16-L20 PolarHBondContact O-N 3.24Å; L17-L20 PolarHBondContact O-N 3.42Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 3.25Å; L20-S23 PolarHBondContact O-N 2.86Å; L20-S23 PolarHBondContact O-OG 3.46Å; L20-A24 PolarHBondContact O-N 2.79Å |
| 21 | S | 68.9 | Low | 65.7 | Low | 79 Ų | 79 | 117.6 Ų | 117.6 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.1 | -32.6 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | L17 L18 V19 | L17-S21 WeakPolarHBondContact O-CB 3.36Å; L17-S21 PolarHBondContact O-N 3.5Å; L17-S21 PolarHBondContact O-OG 2.93Å; L17-S21 VanDerWaalsContact O-OG 3.09Å; L18-S21 PolarHBondContact O-N 3.35Å; V19-S21 PolarHBondContact O-N 3.25Å |
| 22 | S | 62.8 | Low | 64.1 | Low | 90 Ų | 90 | 122.9 Ų | 122.9 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.5 | -25.3 | 176 | -171.9 | 0 | 0 | 0 | 0 | 113.3 | L18 V19 L20 A24 | L18-S22 WeakPolarHBondContact O-CB 3.4Å; L18-S22 PolarHBondContact O-N 2.97Å; V19-S22 PolarHBondContact O-N 3.44Å; L20-S22 VanDerWaalsContact C-N 3.3Å; L20-S22 PolarHBondContact O-N 3.25Å; S22-A24 VanDerWaalsContact C-N 3.34Å |
| 23 | S | 54.5 | Low | 62.3 | Low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.4 | -15.1 | 177.2 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | V19 L20 F25 | V19-S23 PolarHBondContact O-N 3.38Å; L20-S23 PolarHBondContact O-N 2.86Å; L20-S23 PolarHBondContact O-OG 3.46Å; S23-F25 VanDerWaalsContact C-N 3.32Å |
| 24 | A | 49.8 | Very low | 60.4 | Low | 79 Ų | 79 | 129 Ų | 129 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -4.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L20 S22 | L20-A24 PolarHBondContact O-N 2.79Å; S22-A24 VanDerWaalsContact C-N 3.34Å |
| 25 | F | 51 | Low | 58.7 | Low | 162 Ų | 162 | 127.8 Ų | 127.8 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -91.1 | 121.7 | 172 | -87.4 | -90.1 | 0 | 0 | 0 | 109.8 | S23 Q27 | S23-F25 VanDerWaalsContact C-N 3.32Å; F25-Q27 PolarHBondContact O-N 3.22Å |
| 26 | P | 46.5 | Very low | 56.6 | Low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -62.4 | 110.8 | 167.9 | 27 | -30.3 | 0 | 0 | 0 | 106.6 | P28 | P26-P28 VanDerWaalsContact O-CD 3.23Å; P26-P28 WeakPolarHBondContact O-CD 3.29Å; P26-P28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | Q | 50.3 | Low | 54.4 | Low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | -53.6 | 118.2 | 172 | -77.2 | 177 | -40.4 | 0 | 0 | 107.9 | F25 R29 | F25-Q27 PolarHBondContact O-N 3.22Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 3.07Å | ||
| 28 | P | 44.1 | Very low | 53 | Low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | -66.8 | 101 | 164.1 | 6.8 | 5.9 | 0 | 0 | 0 | 105 | P26 L30 | P26-P28 VanDerWaalsContact O-CD 3.23Å; P26-P28 WeakPolarHBondContact O-CD 3.29Å; P26-P28 VanDerWaalsContact O-N 3.08Å; P28-L30 VanDerWaalsContact C-N 3.29Å; P28-L30 PolarHBondContact O-N 3.44Å | ||
| 29 | R | 51.3 | Low | 51.1 | Low | 230 Ų | 230 | 130.6 Ų | 130.6 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | trans | -62.5 | 99 | 171.8 | -69 | -173.3 | -179.3 | -178.5 | 1.1 | 106.6 | Q27 P31 | Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 3.07Å; R29-P31 WeakPolarHBondContact O-CD 3.39Å | ||
| 30 | L | 56.6 | Low | 49.5 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | trans | -57.8 | 122.5 | 166.7 | -71.2 | 168.3 | 0 | 0 | 0 | 107 | P28 L32 | P28-L30 VanDerWaalsContact C-N 3.29Å; P28-L30 PolarHBondContact O-N 3.44Å; L30-L32 PolarHBondContact O-N 3.47Å | ||
| 31 | P | 49.9 | Very low | 48.2 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -68.3 | 107.7 | 171.8 | 25.9 | -28.5 | 0 | 0 | 0 | 107.2 | R29 R33 | R29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-R33 VanDerWaalsContact C-N 3.34Å; P31-R33 PolarHBondContact O-N 2.98Å | ||
| 32 | L | 45.1 | Very low | 47.1 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | trans | -59.8 | 102.2 | 165.7 | -170 | 75.5 | 0 | 0 | 0 | 106.6 | L30 N34 | L30-L32 PolarHBondContact O-N 3.47Å; L32-N34 PolarHBondContact O-N 3.42Å | ||
| 33 | R | 39.8 | Very low | 46.3 | Very low | 230 Ų | 230 | 147.1 Ų | 147.1 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -61.7 | 99.5 | 177.5 | 179.8 | 165.3 | -177.6 | 155.6 | -0.2 | 108.6 | P31 | P31-R33 VanDerWaalsContact C-N 3.34Å; P31-R33 PolarHBondContact O-N 2.98Å | ||
| 34 | N | 40.8 | Very low | 45.8 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -83.7 | 115.7 | 165.3 | -169.3 | -2.7 | 0 | 0 | 0 | 107.8 | L32 E36 | L32-N34 PolarHBondContact O-N 3.42Å; N34-E36 PolarHBondContact O-N 3.46Å | ||
| 35 | P | 48.2 | Very low | 45.8 | Very low | 87 Ų | 87 | 150.6 Ų | 150.6 | 57% | 0.565 | 77% | 0.772 | S | S | * | * | trans | -89.6 | 97.7 | 172.8 | 32.9 | -21.5 | 0 | 0 | 0 | 107 | ||||
| 36 | E | 37.3 | Very low | 45.9 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | 172.9 | 124 | 141.7 | -83.3 | -24.9 | 135.4 | 0 | 0 | 109.6 | N34 | N34-E36 PolarHBondContact O-N 3.46Š| ||
| 37 | G | 34.2 | Very low | 46.1 | Very low | 64 Ų | 64 | 153.7 Ų | 153.7 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | 131.6 | 110.4 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 38 | P | 51.7 | Low | 46.5 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -87.8 | 111.3 | 175 | 32.8 | -25.4 | 0 | 0 | 0 | 108.9 | ||||
| 39 | Q | 39.8 | Very low | 47 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -158.3 | 108.5 | 157.1 | -118.5 | 172.5 | 77 | 0 | 0 | 112.4 | ||||
| 40 | E | 44.4 | Very low | 46.9 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 52.3 | 77.1 | 140.6 | -61.1 | -178.6 | -172.7 | 0 | 0 | 116.8 | K42 | E40-K42 VanDerWaalsContact C-N 3.27Å; E40-K42 PolarHBondContact O-N 2.94Å | ||
| 41 | A | 46.2 | Very low | 47 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -69.1 | 88 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | R43 | A41-R43 PolarHBondContact O-N 3.27Š| ||
| 42 | K | 45 | Very low | 47.2 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | -55.6 | 100.7 | 147.9 | -108.2 | -163.7 | 175.8 | -172.6 | 0 | 105.9 | E40 D44 | E40-K42 VanDerWaalsContact C-N 3.27Å; E40-K42 PolarHBondContact O-N 2.94Å; K42-D44 PolarHBondContact O-N 3.32Å | ||
| 43 | R | 46.7 | Very low | 47.8 | Very low | 235 Ų | 235 | 145.5 Ų | 145.5 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | -65.8 | 87.7 | 165.5 | -74.3 | -178.3 | 175 | -172.4 | -1.3 | 105.6 | A41 D45 | A41-R43 PolarHBondContact O-N 3.27Å; R43-D45 VanDerWaalsContact C-N 3.33Å; R43-D45 PolarHBondContact O-N 3.31Å | ||
| 44 | D | 43.8 | Very low | 48.4 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | -64.6 | 108 | 162.3 | -77.1 | -41.5 | 0 | 0 | 0 | 106.2 | K42 W46 | K42-D44 PolarHBondContact O-N 3.32Å; D44-W46 VanDerWaalsContact C-N 3.3Å; D44-W46 VanDerWaalsContact O-CD1 3.22Å; D44-W46 PolarHBondContact O-N 2.89Å | ||
| 45 | D | 48.3 | Very low | 48.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | trans | -53.9 | 89.5 | 173.2 | -163.8 | 30.3 | 0 | 0 | 0 | 108.4 | R43 D47 | R43-D45 VanDerWaalsContact C-N 3.33Å; R43-D45 PolarHBondContact O-N 3.31Å; D45-D47 PolarHBondContact O-N 3.38Å | ||
| 46 | W | 53.5 | Low | 49.1 | Very low | 222 Ų | 222 | 140.1 Ų | 140.1 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | trans | -73.5 | 78 | 165 | -67.6 | 97.4 | 0 | 0 | 0 | 106.9 | D44 V48 | D44-W46 VanDerWaalsContact C-N 3.3Å; D44-W46 VanDerWaalsContact O-CD1 3.22Å; D44-W46 PolarHBondContact O-N 2.89Å; W46-V48 HydrophobicContact CB-CG2 4.02Å; W46-V48 PolarHBondContact O-N 3.45Å | ||
| 47 | D | 51.7 | Low | 50 | Low | 120 Ų | 120 | 137.7 Ų | 137.7 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | trans | -63.7 | 65.2 | 158.5 | -89.1 | -24.4 | 0 | 0 | 0 | 108.2 | D45 L49 | D45-D47 PolarHBondContact O-N 3.38Å; D47-L49 PolarHBondContact O-N 3.03Å | ||
| 48 | V | 57.3 | Low | 50.9 | Low | 77 Ų | 77 | 141.9 Ų | 141.9 | 47% | 0.467 | 72% | 0.719 | S | S | . | * | trans | -70.1 | 89.3 | 162 | -172.5 | 0 | 0 | 0 | 0 | 103.9 | W46 F50 | W46-V48 HydrophobicContact CB-CG2 4.02Å; W46-V48 PolarHBondContact O-N 3.45Å; V48-F50 HydrophobicContact CB-CD2 4.21Å; V48-F50 HydrophobicContact CB-CE2 3.81Å; V48-F50 HydrophobicContact CB-CZ 4.06Å; V48-F50 HydrophobicContact CG1-CD1 4.06Å; V48-F50 HydrophobicContact CG1-CD2 4.05Å; V48-F50 HydrophobicContact CG1-CE1 3.81Å; V48-F50 HydrophobicContact CG1-CE2 3.8Å; V48-F50 HydrophobicContact CG1-CG 4.18Å; V48-F50 HydrophobicContact CG1-CZ 3.68Å; V48-F50 WeakPolarHBondContact O-CD2 3.04Å; V48-F50 PolarHBondContact O-N 2.92Å | ||
| 49 | L | 55.9 | Low | 50.7 | Low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | trans | -59.8 | 83.8 | 162.3 | -71.4 | 168.9 | 0 | 0 | 0 | 106.5 | D47 P51 | D47-L49 PolarHBondContact O-N 3.03Å; L49-P51 VanDerWaalsContact O-CD 3.29Å; L49-P51 WeakPolarHBondContact O-CD 3.22Å | ||
| 50 | F | 48.7 | Very low | 51.3 | Low | 163 Ų | 163 | 139.3 Ų | 139.3 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | trans | -58.5 | 122 | 166.8 | -69 | -80.6 | 0 | 0 | 0 | 105.8 | V48 S52 | V48-F50 HydrophobicContact CB-CD2 4.21Å; V48-F50 HydrophobicContact CB-CE2 3.81Å; V48-F50 HydrophobicContact CB-CZ 4.06Å; V48-F50 HydrophobicContact CG1-CD1 4.06Å; V48-F50 HydrophobicContact CG1-CD2 4.05Å; V48-F50 HydrophobicContact CG1-CE1 3.81Å; V48-F50 HydrophobicContact CG1-CE2 3.8Å; V48-F50 HydrophobicContact CG1-CG 4.18Å; V48-F50 HydrophobicContact CG1-CZ 3.68Å; V48-F50 WeakPolarHBondContact O-CD2 3.04Å; V48-F50 PolarHBondContact O-N 2.92Å; F50-S52 PolarHBondContact O-N 3.38Å | ||
| 51 | P | 58.7 | Low | 51.5 | Low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -59.1 | 106.7 | 169.5 | -17.6 | 30.3 | 0 | 0 | 0 | 106.5 | L49 I53 | L49-P51 VanDerWaalsContact O-CD 3.29Å; L49-P51 WeakPolarHBondContact O-CD 3.22Å; P51-I53 PolarHBondContact O-N 3.45Å | ||
| 52 | S | 53.2 | Low | 51.7 | Low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | trans | -71.9 | 86.5 | 174 | 56.1 | 0 | 0 | 0 | 0 | 106.9 | F50 S54 | F50-S52 PolarHBondContact O-N 3.38Å; S52-S54 PolarHBondContact O-N 2.84Å | ||
| 53 | I | 57.8 | Low | 51.8 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | -63.4 | 104.5 | 169.6 | -172.1 | 97.3 | 0 | 0 | 0 | 106.6 | P51 | P51-I53 PolarHBondContact O-N 3.45Š| ||
| 54 | S | 52.5 | Low | 51.9 | Low | 49 Ų | 49 | 134 Ų | 134 | 34% | 0.343 | 69% | 0.692 | S | S | . | * | trans | -74 | 139.7 | 179.2 | 88.3 | 0 | 0 | 0 | 0 | 108.6 | S52 H56 D57 | S52-S54 PolarHBondContact O-N 2.84Å; S54-H56 PolarHBondContact O-N 3.39Å; S54-H56 PolarHBondContact OG-N 2.94Å; S54-D57 PolarHBondContact O-N 3.13Å; S54-D57 VanDerWaalsContact OG-CG 3.27Å; S54-D57 PolarHBondContact OG-N 3.42Å; S54-D57 PolarHBondContact OG-OD2 3.01Å | ||
| 55 | L | 52.5 | Low | 51.9 | Low | 133 Ų | 133 | 132.5 Ų | 132.5 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 12.6 | 174.2 | -147.2 | 144.1 | 0 | 0 | 0 | 111.3 | W58 | L55-W58 HydrophobicContact CD2-CZ2 3.41Å; L55-W58 VanDerWaalsContact CD2-CZ2 3.41Å; L55-W58 HydrophobicContact CG-CZ2 4.17Å; L55-W58 PolarHBondContact O-NE1 3.49Å |
| 56 | H | 51.9 | Low | 51.5 | Low | 162 Ų | 162 | 132 Ų | 132 | 75% | 0.75 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -24.4 | 174.2 | -80.7 | 32 | 0 | 0 | 0 | 112.4 | S54 W58 N59 | S54-H56 PolarHBondContact O-N 3.39Å; S54-H56 PolarHBondContact OG-N 2.94Å; H56-W58 VanDerWaalsContact C-N 3.28Å; H56-W58 PolarHBondContact O-N 3.26Å; H56-N59 PolarHBondContact O-N 3.46Å |
| 57 | D | 55.3 | Low | 51.1 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -17.4 | -178 | -61 | -45.6 | 0 | 0 | 0 | 112.9 | S54 N59 | S54-D57 PolarHBondContact O-N 3.13Å; S54-D57 VanDerWaalsContact OG-CG 3.27Å; S54-D57 PolarHBondContact OG-N 3.42Å; S54-D57 PolarHBondContact OG-OD2 3.01Å; D57-N59 VanDerWaalsContact C-N 3.29Å; D57-N59 PolarHBondContact O-N 2.93Å |
| 58 | W | 53.6 | Low | 50.5 | Low | 153 Ų | 153 | 127.1 Ų | 127.1 | 58% | 0.58 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 22.3 | 174.5 | 73.5 | -76.4 | 0 | 0 | 0 | 112.9 | L55 H56 I60 | L55-W58 HydrophobicContact CD2-CZ2 3.41Å; L55-W58 VanDerWaalsContact CD2-CZ2 3.41Å; L55-W58 HydrophobicContact CG-CZ2 4.17Å; L55-W58 PolarHBondContact O-NE1 3.49Å; H56-W58 VanDerWaalsContact C-N 3.28Å; H56-W58 PolarHBondContact O-N 3.26Å; W58-I60 PolarHBondContact O-N 3.33Å |
| 59 | N | 47 | Very low | 49.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | -61.1 | 81.1 | 176 | -173 | -1.7 | 0 | 0 | 0 | 111 | H56 D57 Q61 | H56-N59 PolarHBondContact O-N 3.46Å; D57-N59 VanDerWaalsContact C-N 3.29Å; D57-N59 PolarHBondContact O-N 2.93Å; N59-Q61 VanDerWaalsContact C-N 3.25Å; N59-Q61 PolarHBondContact O-N 3.3Å; N59-Q61 VanDerWaalsContact O-N 3.07Å; N59-Q61 PolarHBondContact OD1-N 3.5Å | ||
| 60 | I | 53.4 | Low | 48.8 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | trans | -75.7 | 92.2 | 162.5 | -59.1 | 172.8 | 0 | 0 | 0 | 102.6 | W58 M62 | W58-I60 PolarHBondContact O-N 3.33Å; I60-M62 PolarHBondContact O-N 3.44Å | ||
| 61 | Q | 47.4 | Very low | 48.1 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | trans | -56.1 | 93 | 156.7 | -85.3 | 178.8 | 23.2 | 0 | 0 | 106 | N59 L63 | N59-Q61 VanDerWaalsContact C-N 3.25Å; N59-Q61 PolarHBondContact O-N 3.3Å; N59-Q61 VanDerWaalsContact O-N 3.07Å; N59-Q61 PolarHBondContact OD1-N 3.5Å; Q61-L63 PolarHBondContact O-N 2.97Å | ||
| 62 | M | 51.1 | Low | 47.3 | Very low | 162 Ų | 162 | 130 Ų | 130 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -56.2 | 106.5 | 152 | -74.5 | -171.8 | -64.3 | 0 | 0 | 103.3 | I60 S64 | I60-M62 PolarHBondContact O-N 3.44Å; M62-S64 PolarHBondContact O-N 3.09Å | ||
| 63 | L | 47.1 | Very low | 46.9 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -53.4 | 98.8 | 162.9 | -69.2 | 171 | 0 | 0 | 0 | 104.5 | Q61 A65 | Q61-L63 PolarHBondContact O-N 2.97Å; L63-A65 PolarHBondContact O-N 2.94Å; L63-A65 VanDerWaalsContact O-N 3.1Å | ||
| 64 | S | 48.1 | Very low | 45.9 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -44.7 | 123.4 | 169.8 | 19.5 | 0 | 0 | 0 | 0 | 105.7 | M62 P66 | M62-S64 PolarHBondContact O-N 3.09Å; S64-P66 VanDerWaalsContact O-N 3.16Å | ||
| 65 | A | 45.4 | Very low | 45.5 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | -41.2 | 128.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | L63 G67 | L63-A65 PolarHBondContact O-N 2.94Å; L63-A65 VanDerWaalsContact O-N 3.1Å; A65-G67 PolarHBondContact O-N 2.9Å | ||
| 66 | P | 38.4 | Very low | 45 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -48.5 | 115.9 | 179.9 | -26.9 | 33.4 | 0 | 0 | 0 | 107.2 | S64 L68 | S64-P66 VanDerWaalsContact O-N 3.16Å; P66-L68 PolarHBondContact O-N 3.48Å | ||
| 67 | G | 45.3 | Very low | 44.9 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -60.5 | 93.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | A65 R69 | A65-G67 PolarHBondContact O-N 2.9Å; G67-R69 PolarHBondContact O-N 3.05Å | ||
| 68 | L | 38.9 | Very low | 44.4 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -71.3 | 82.5 | 164.3 | -90.5 | 158.1 | 0 | 0 | 0 | 105.4 | P66 A70 | P66-L68 PolarHBondContact O-N 3.48Å; L68-A70 PolarHBondContact O-N 3.49Å | ||
| 69 | R | 34.5 | Very low | 44.2 | Very low | 223 Ų | 223 | 128.5 Ų | 128.5 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -28.7 | 126.6 | 144.2 | -79.5 | -92.3 | 169.9 | 170.4 | -5.4 | 108.2 | G67 A71 | G67-R69 PolarHBondContact O-N 3.05Å; R69-A71 PolarHBondContact O-N 3.42Å | ||
| 70 | A | 43.1 | Very low | 44.5 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -26.8 | 110.8 | 165 | 0 | 0 | 0 | 0 | 0 | 111.8 | L68 | L68-A70 PolarHBondContact O-N 3.49Š| ||
| 71 | A | 34.5 | Very low | 44.1 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -149.1 | 114.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | R69 | R69-A71 PolarHBondContact O-N 3.42Š| ||
| 72 | D | 41.7 | Very low | 43.7 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -45.9 | 158 | 174.4 | -131.7 | -30.3 | 0 | 0 | 0 | 114.1 | ||||
| 73 | S | 45.2 | Very low | 43.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 80.8 | 123.6 | 156.9 | 79 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 74 | K | 37.1 | Very low | 43.3 | Very low | 201 Ų | 201 | 135.1 Ų | 135.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 94.2 | 93.4 | 140 | -145.6 | 170.6 | -176.4 | 178.1 | 0 | 118 | ||||
| 75 | A | 43.2 | Very low | 42.9 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -13 | 136.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 76 | G | 42 | Very low | 42.6 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 123.4 | 123.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 77 | L | 50.4 | Low | 42.9 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | 71.1 | 105.4 | 154.1 | -71 | 151.1 | 0 | 0 | 0 | 117.3 | ||||
| 78 | V | 45.3 | Very low | 42.6 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 161.1 | 98.3 | 118.6 | 159.9 | 0 | 0 | 0 | 0 | 107 | |||||
| 79 | G | 49 | Very low | 43.1 | Very low | 65 Ų | 65 | 140.9 Ų | 140.9 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -136.6 | 11.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 80 | D | 53.7 | Low | 43.6 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -118.3 | 92 | -173.4 | -65.6 | -21.4 | 0 | 0 | 0 | 110.8 | ||||
| 81 | A | 44.7 | Very low | 43.9 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -158.9 | 57.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 82 | W | 39.9 | Very low | 44.6 | Very low | 249 Ų | 249 | 138.4 Ų | 138.4 | 94% | 0.943 | 76% | 0.763 | S | S | * | * | trans | -84.8 | 114.2 | 159.7 | -74.3 | 99.4 | 0 | 0 | 0 | 108.6 | F84 | W82-F84 PolarHBondContact O-N 3.29Š| ||
| 83 | L | 48.8 | Very low | 45.2 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -74.2 | 73.3 | -167.9 | -68.9 | 162.6 | 0 | 0 | 0 | 113.7 | ||
| 84 | F | 40.9 | Very low | 45.5 | Very low | 202 Ų | 202 | 137 Ų | 137 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -150.3 | 93.5 | 160.7 | -66.5 | -71.7 | 0 | 0 | 0 | 111.2 | W82 | W82-F84 PolarHBondContact O-N 3.29Š| ||
| 85 | A | 38.5 | Very low | 46 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -129.8 | 117.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 86 | P | 38.8 | Very low | 46.4 | Very low | 133 Ų | 133 | 136 Ų | 136 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -84 | 114.1 | 155.5 | -5.5 | 24.1 | 0 | 0 | 0 | 108.7 | ||||
| 87 | E | 44.9 | Very low | 47.1 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -65.5 | 133.2 | 176.1 | -75.9 | -76.5 | 167.8 | 0 | 0 | 112.7 | ||||
| 88 | R | 39.6 | Very low | 47.6 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -163.1 | 151 | 134.2 | -99 | -159.2 | -170.5 | 138.9 | 6.7 | 112.1 | ||||
| 89 | P | 50.3 | Low | 48.3 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 47% | 0.474 | 69% | 0.694 | S | S | . | * | trans | -104.2 | 14.4 | -136.7 | 0.4 | 19.7 | 0 | 0 | 0 | 120.1 | ||||
| 90 | E | 44.6 | Very low | 48.8 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 62% | 0.621 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -133.8 | 137.5 | -174.1 | 35.9 | -74.9 | 160.9 | 0 | 0 | 112.5 | ||
| 91 | D | 49.1 | Very low | 48.8 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 65% | 0.652 | 68% | 0.675 | S | S | * | * | trans | 91.2 | 34.2 | 179.6 | -46.6 | -22.6 | 0 | 0 | 0 | 117.1 | T93 | D91-T93 PolarHBondContact O-N 2.91Š| ||
| 92 | K | 49.6 | Very low | 49.4 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 51% | 0.509 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -70.8 | -15.7 | -173.3 | -65.2 | -178.9 | -179.8 | -178.6 | 0 | 116.4 | M96 | K92-M96 WeakPolarHBondContact O-CB 3.35Å |
| 93 | T | 53.8 | Low | 50.3 | Low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -89.8 | -40.1 | -176.4 | 12.3 | 0 | 0 | 0 | 0 | 113.5 | D91 S97 | D91-T93 PolarHBondContact O-N 2.91Å; T93-S97 PolarHBondContact O-N 2.99Å |
| 94 | S | 51.7 | Low | 50.6 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.7 | -37.9 | -175 | -158.9 | 0 | 0 | 0 | 0 | 112.4 | L98 | S94-L98 PolarHBondContact O-N 2.88Å |
| 95 | R | 47.6 | Very low | 51.3 | Low | 168 Ų | 168 | 118 Ų | 118 | 63% | 0.634 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.3 | -32 | 175.9 | -76.6 | 176.7 | 67 | 174.2 | 0.3 | 113.5 | S97 L98 I99 | R95-S97 VanDerWaalsContact C-N 3.31Å; R95-L98 PolarHBondContact O-N 3.28Å; R95-I99 WeakPolarHBondContact O-CB 3.22Å; R95-I99 WeakPolarHBondContact O-CD1 3.43Å; R95-I99 WeakPolarHBondContact O-CG1 3.47Å; R95-I99 PolarHBondContact O-N 2.92Å |
| 96 | M | 50.9 | Low | 52 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.2 | -39.1 | 175.2 | -166.2 | 85.5 | 82.3 | 0 | 0 | 110.6 | K92 I99 V100 | K92-M96 WeakPolarHBondContact O-CB 3.35Å; M96-I99 PolarHBondContact O-N 3.38Å; M96-V100 HydrophobicContact CG-CG2 4.39Å; M96-V100 VanDerWaalsContact O-CB 3.27Å; M96-V100 WeakPolarHBondContact O-CB 3.46Å; M96-V100 WeakPolarHBondContact O-CG2 3.45Å; M96-V100 PolarHBondContact O-N 3.49Å |
| 97 | S | 57.2 | Low | 52.4 | Low | 73 Ų | 73 | 118.9 Ų | 118.9 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.2 | -44 | 172.1 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | T93 R95 V100 H101 | T93-S97 PolarHBondContact O-N 2.99Å; R95-S97 VanDerWaalsContact C-N 3.31Å; S97-V100 PolarHBondContact O-N 3.46Å; S97-H101 WeakPolarHBondContact O-CB 3.45Å; S97-H101 PolarHBondContact O-N 3.37Å |
| 98 | L | 60.3 | Low | 52.5 | Low | 124 Ų | 124 | 114.4 Ų | 114.4 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.5 | -41 | 176.9 | -164.4 | 79.2 | 0 | 0 | 0 | 112.6 | S94 R95 H101 F102 | S94-L98 PolarHBondContact O-N 2.88Å; R95-L98 PolarHBondContact O-N 3.28Å; L98-H101 PolarHBondContact O-N 3.4Å; L98-F102 WeakPolarHBondContact O-CB 3.34Å; L98-F102 PolarHBondContact O-N 2.91Å |
| 99 | I | 60.5 | Low | 53.2 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.3 | -40.5 | 178.2 | -67.2 | 164.1 | 0 | 0 | 0 | 110.4 | R95 M96 F102 V103 | R95-I99 WeakPolarHBondContact O-CB 3.22Å; R95-I99 WeakPolarHBondContact O-CD1 3.43Å; R95-I99 WeakPolarHBondContact O-CG1 3.47Å; R95-I99 PolarHBondContact O-N 2.92Å; M96-I99 PolarHBondContact O-N 3.38Å; I99-F102 PolarHBondContact O-N 3.34Å; I99-V103 HydrophobicContact CG2-CG2 4.23Å; I99-V103 VanDerWaalsContact O-CB 3.3Å; I99-V103 WeakPolarHBondContact O-CB 3.47Å; I99-V103 WeakPolarHBondContact O-CG2 3.29Å; I99-V103 PolarHBondContact O-N 2.85Å |
| 100 | V | 59.8 | Low | 53 | Low | 84 Ų | 84 | 111.6 Ų | 111.6 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.2 | -38.7 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | M96 S97 S104 | M96-V100 HydrophobicContact CG-CG2 4.39Å; M96-V100 VanDerWaalsContact O-CB 3.27Å; M96-V100 WeakPolarHBondContact O-CB 3.46Å; M96-V100 WeakPolarHBondContact O-CG2 3.45Å; M96-V100 PolarHBondContact O-N 3.49Å; S97-V100 PolarHBondContact O-N 3.46Å; V100-S104 VanDerWaalsContact O-CB 3.26Å; V100-S104 WeakPolarHBondContact O-CB 3.36Å; V100-S104 PolarHBondContact O-N 3.01Å; V100-S104 PolarHBondContact O-OG 3.43Å |
| 101 | H | 54.2 | Low | 53.2 | Low | 138 Ų | 138 | 112.6 Ų | 112.6 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.3 | -39 | 174.8 | -126 | -88.1 | 0 | 0 | 0 | 112.1 | S97 L98 S104 S105 | S97-H101 WeakPolarHBondContact O-CB 3.45Å; S97-H101 PolarHBondContact O-N 3.37Å; L98-H101 PolarHBondContact O-N 3.4Å; H101-S104 PolarHBondContact O-N 2.97Å; H101-S105 WeakPolarHBondContact O-CB 3.48Å; H101-S105 PolarHBondContact O-N 2.98Å |
| 102 | F | 56.6 | Low | 53.3 | Low | 144 Ų | 144 | 109.3 Ų | 109.3 | 63% | 0.632 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.6 | -42.7 | 177.8 | -163.3 | -99.3 | 0 | 0 | 0 | 111.2 | L98 I99 S105 V106 | L98-F102 WeakPolarHBondContact O-CB 3.34Å; L98-F102 PolarHBondContact O-N 2.91Å; I99-F102 PolarHBondContact O-N 3.34Å; F102-S105 PolarHBondContact O-N 2.92Å; F102-V106 HydrophobicContact CD1-CG2 3.79Å; F102-V106 HydrophobicContact CD2-CG2 4.44Å; F102-V106 HydrophobicContact CE1-CG2 3.59Å; F102-V106 HydrophobicContact CE2-CG2 4.26Å; F102-V106 HydrophobicContact CG-CG2 4.22Å; F102-V106 HydrophobicContact CZ-CG2 3.85Å; F102-V106 WeakPolarHBondContact O-CB 3.38Å; F102-V106 WeakPolarHBondContact O-CG2 3.22Å; F102-V106 PolarHBondContact O-N 2.69Å |
| 103 | V | 58.8 | Low | 53.5 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.3 | -38 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | I99 W107 | I99-V103 HydrophobicContact CG2-CG2 4.23Å; I99-V103 VanDerWaalsContact O-CB 3.3Å; I99-V103 WeakPolarHBondContact O-CB 3.47Å; I99-V103 WeakPolarHBondContact O-CG2 3.29Å; I99-V103 PolarHBondContact O-N 2.85Å; V103-W107 VanDerWaalsContact O-CB 3.3Å; V103-W107 WeakPolarHBondContact O-CB 3.44Å; V103-W107 PolarHBondContact O-N 3.42Å; V103-W107 VanDerWaalsContact O-N 3.11Å |
| 104 | S | 55 | Low | 53.2 | Low | 86 Ų | 86 | 105.2 Ų | 105.2 | 60% | 0.601 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.6 | -30 | 173.5 | -68.5 | 0 | 0 | 0 | 0 | 113.5 | V100 H101 | V100-S104 VanDerWaalsContact O-CB 3.26Å; V100-S104 WeakPolarHBondContact O-CB 3.36Å; V100-S104 PolarHBondContact O-N 3.01Å; V100-S104 PolarHBondContact O-OG 3.43Å; H101-S104 PolarHBondContact O-N 2.97Å |
| 105 | S | 55.4 | Low | 53.1 | Low | 96 Ų | 96 | 101.3 Ų | 101.3 | 67% | 0.671 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -85.3 | -28.4 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 113.1 | H101 F102 | H101-S105 WeakPolarHBondContact O-CB 3.48Å; H101-S105 PolarHBondContact O-N 2.98Å; F102-S105 PolarHBondContact O-N 2.92Å |
| 106 | V | 53.4 | Low | 53.2 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -86.7 | -18.7 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | F102 P108 | F102-V106 HydrophobicContact CD1-CG2 3.79Å; F102-V106 HydrophobicContact CD2-CG2 4.44Å; F102-V106 HydrophobicContact CE1-CG2 3.59Å; F102-V106 HydrophobicContact CE2-CG2 4.26Å; F102-V106 HydrophobicContact CG-CG2 4.22Å; F102-V106 HydrophobicContact CZ-CG2 3.85Å; F102-V106 WeakPolarHBondContact O-CB 3.38Å; F102-V106 WeakPolarHBondContact O-CG2 3.22Å; F102-V106 PolarHBondContact O-N 2.69Å; V106-P108 VanDerWaalsContact O-CD 3.31Å; V106-P108 WeakPolarHBondContact O-CD 3.34Å |
| 107 | W | 46.6 | Very low | 53.1 | Low | 147 Ų | 147 | 102 Ų | 102 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -96.2 | 102.3 | 169.9 | -160.5 | -100.4 | 0 | 0 | 0 | 110.1 | V103 A109 W111 | V103-W107 VanDerWaalsContact O-CB 3.3Å; V103-W107 WeakPolarHBondContact O-CB 3.44Å; V103-W107 PolarHBondContact O-N 3.42Å; V103-W107 VanDerWaalsContact O-N 3.11Å; W107-A109 PolarHBondContact O-N 3.21Å; W107-W111 HydrophobicContact CZ2-CB 4.43Å |
| 108 | P | 46.8 | Very low | 52.7 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | trans | -65.6 | 129.5 | 178.9 | -14.7 | 30.6 | 0 | 0 | 0 | 108.1 | V106 Q110 W111 | V106-P108 VanDerWaalsContact O-CD 3.31Å; V106-P108 WeakPolarHBondContact O-CD 3.34Å; P108-Q110 PolarHBondContact O-N 2.94Å; P108-W111 HydrophobicContact CB-CG 4.33Å; P108-W111 HydrophobicContact CG-CD2 4.44Å; P108-W111 HydrophobicContact CG-CG 4.16Å; P108-W111 WeakPolarHBondContact O-CB 3.35Å; P108-W111 PolarHBondContact O-N 3.43Å | ||
| 109 | A | 54.9 | Low | 52.3 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 71% | 0.711 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -52.9 | -23.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W107 W111 A112 | W107-A109 PolarHBondContact O-N 3.21Å; A109-W111 VanDerWaalsContact C-N 3.27Å; A109-W111 PolarHBondContact O-N 3.47Å; A109-A112 PolarHBondContact O-N 2.85Å |
| 110 | Q | 45.5 | Very low | 52 | Low | 154 Ų | 154 | 104.3 Ų | 104.3 | 72% | 0.72 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.5 | -30.1 | 171.3 | -177 | 130.9 | 25.9 | 0 | 0 | 113.9 | P108 E114 | P108-Q110 PolarHBondContact O-N 2.94Å; Q110-E114 VanDerWaalsContact O-CB 3.29Å; Q110-E114 WeakPolarHBondContact O-CB 3.46Å; Q110-E114 PolarHBondContact O-N 3.19Å; Q110-E114 VanDerWaalsContact O-N 3.09Å |
| 111 | W | 49.6 | Very low | 51.7 | Low | 155 Ų | 155 | 106.1 Ų | 106.1 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -83.6 | -22.1 | -178.3 | -67.3 | 41.1 | 0 | 0 | 0 | 112.4 | W107 P108 A109 G115 | W107-W111 HydrophobicContact CZ2-CB 4.43Å; P108-W111 HydrophobicContact CB-CG 4.33Å; P108-W111 HydrophobicContact CG-CD2 4.44Å; P108-W111 HydrophobicContact CG-CG 4.16Å; P108-W111 WeakPolarHBondContact O-CB 3.35Å; P108-W111 PolarHBondContact O-N 3.43Å; A109-W111 VanDerWaalsContact C-N 3.27Å; A109-W111 PolarHBondContact O-N 3.47Å; W111-G115 WeakPolarHBondContact O-CA 3.3Å; W111-G115 PolarHBondContact O-N 2.85Å |
| 112 | A | 51 | Low | 51.8 | Low | 53 Ų | 53 | 103.8 Ų | 103.8 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.7 | -38.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A109 T116 | A109-A112 PolarHBondContact O-N 2.85Å; A112-T116 PolarHBondContact O-OG1 3.45Å |
| 113 | S | 53.7 | Low | 51.8 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -75.9 | -44 | 177.7 | 163.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 114 | E | 46.6 | Very low | 51.9 | Low | 67 Ų | 67 | 102.5 Ų | 102.5 | 31% | 0.313 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -79.3 | -28.8 | 178.8 | -171.2 | 55.5 | -144.8 | 0 | 0 | 111 | Q110 T116 R117 M118 R121 | Q110-E114 VanDerWaalsContact O-CB 3.29Å; Q110-E114 WeakPolarHBondContact O-CB 3.46Å; Q110-E114 PolarHBondContact O-N 3.19Å; Q110-E114 VanDerWaalsContact O-N 3.09Å; E114-T116 PolarHBondContact O-N 3.17Å; E114-R117 CarbonylContact O-C 3.51Å; E114-R117 PolarHBondContact O-N 3.02Å; E114-R117 VanDerWaalsContact O-N 3.09Å; E114-M118 HydrophobicContact CB-CE 4.22Å; E114-M118 HydrophobicContact CB-CG 4.5Å; E114-M118 HydrophobicContact CG-CE 3.44Å; E114-M118 VanDerWaalsContact CG-CE 3.44Å; E114-M118 HydrophobicContact CG-CG 3.7Å; E114-M118 HydrophobicContact CG-SD 4.13Å; E114-M118 WeakPolarHBondContact O-CB 3.37Å; E114-M118 WeakPolarHBondContact O-CG 3.44Å; E114-M118 PolarHBondContact O-N 2.9Å; E114-R121 IonicContact OE1-CZ 3.87Å; E114-R121 IonicContact OE1-NH2 2.76Å; E114-R121 PolarHBondContact OE1-NH2 2.88Å |
| 115 | G | 50.2 | Low | 52.1 | Low | 19 Ų | 19 | 102.5 Ų | 102.5 | 20% | 0.196 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | W111 R117 M118 V119 | W111-G115 WeakPolarHBondContact O-CA 3.3Å; W111-G115 PolarHBondContact O-N 2.85Å; G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 2.98Å; G115-M118 PolarHBondContact O-N 3.25Å; G115-V119 WeakPolarHBondContact O-CB 3.49Å; G115-V119 WeakPolarHBondContact O-CG2 3.41Å; G115-V119 PolarHBondContact O-N 3.36Å |
| 116 | T | 50.1 | Low | 52.6 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 66% | 0.663 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.2 | -32.6 | 175.3 | -42.2 | 0 | 0 | 0 | 0 | 111.9 | A112 E114 | A112-T116 PolarHBondContact O-OG1 3.45Å; E114-T116 PolarHBondContact O-N 3.17Å |
| 117 | R | 49.6 | Very low | 53.3 | Low | 186 Ų | 186 | 101.5 Ų | 101.5 | 70% | 0.702 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -81.6 | -31.5 | 174.8 | -159.5 | 178.3 | -169.2 | 163.8 | 3.2 | 112.4 | E114 G115 R121 | E114-R117 CarbonylContact O-C 3.51Å; E114-R117 PolarHBondContact O-N 3.02Å; E114-R117 VanDerWaalsContact O-N 3.09Å; G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 2.98Å; R117-R121 WeakPolarHBondContact O-CD 3.32Å; R117-R121 VanDerWaalsContact O-CG 3.29Å; R117-R121 WeakPolarHBondContact O-CG 3.31Å; R117-R121 PolarHBondContact O-NE 3.2Å |
| 118 | M | 47.3 | Very low | 54.8 | Low | 67 Ų | 67 | 98.1 Ų | 98.1 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.8 | -41.6 | 176.7 | -57.2 | -126.3 | -130.8 | 0 | 0 | 113.2 | E114 G115 K120 R121 N122 | E114-M118 HydrophobicContact CB-CE 4.22Å; E114-M118 HydrophobicContact CB-CG 4.5Å; E114-M118 HydrophobicContact CG-CE 3.44Å; E114-M118 VanDerWaalsContact CG-CE 3.44Å; E114-M118 HydrophobicContact CG-CG 3.7Å; E114-M118 HydrophobicContact CG-SD 4.13Å; E114-M118 WeakPolarHBondContact O-CB 3.37Å; E114-M118 WeakPolarHBondContact O-CG 3.44Å; E114-M118 PolarHBondContact O-N 2.9Å; G115-M118 PolarHBondContact O-N 3.25Å; M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 2.96Å; M118-R121 CarbonylContact O-C 3.52Å; M118-R121 WeakPolarHBondContact O-CG 3.13Å; M118-R121 PolarHBondContact O-N 3.03Å; M118-R121 VanDerWaalsContact O-N 3.09Å; M118-R121 VanDerWaalsContact SD-CZ 3.59Å; M118-R121 PolarHBondContact SD-NH2 2.69Å; M118-N122 WeakPolarHBondContact O-CB 3.43Å; M118-N122 PolarHBondContact O-N 3.47Å |
| 119 | V | 52 | Low | 56.4 | Low | 95 Ų | 95 | 97.9 Ų | 97.9 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 179.1 | 167.4 | 0 | 0 | 0 | 0 | 110.2 | G115 R121 N122 M123 | G115-V119 WeakPolarHBondContact O-CB 3.49Å; G115-V119 WeakPolarHBondContact O-CG2 3.41Å; G115-V119 PolarHBondContact O-N 3.36Å; V119-R121 PolarHBondContact O-N 2.7Å; V119-N122 PolarHBondContact O-N 2.99Å; V119-M123 WeakPolarHBondContact O-CB 3.38Å; V119-M123 PolarHBondContact O-N 3.36Å; V119-M123 VanDerWaalsContact O-N 3.08Å |
| 120 | K | 55.5 | Low | 57.5 | Low | 175 Ų | 175 | 96.8 Ų | 96.8 | 76% | 0.761 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -26 | 174.4 | -168.6 | 173.8 | -179.1 | 178.5 | 0 | 113.4 | M118 | M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 2.96Å |
| 121 | R | 52.9 | Low | 58.9 | Low | 122 Ų | 122 | 96.4 Ų | 96.4 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -102 | -12.6 | 178.8 | 60.6 | -171.8 | 164.6 | 86.4 | -14 | 114.9 | E114 R117 M118 V119 | E114-R121 IonicContact OE1-CZ 3.87Å; E114-R121 IonicContact OE1-NH2 2.76Å; E114-R121 PolarHBondContact OE1-NH2 2.88Å; R117-R121 WeakPolarHBondContact O-CD 3.32Å; R117-R121 VanDerWaalsContact O-CG 3.29Å; R117-R121 WeakPolarHBondContact O-CG 3.31Å; R117-R121 PolarHBondContact O-NE 3.2Å; M118-R121 CarbonylContact O-C 3.52Å; M118-R121 WeakPolarHBondContact O-CG 3.13Å; M118-R121 PolarHBondContact O-N 3.03Å; M118-R121 VanDerWaalsContact O-N 3.09Å; M118-R121 VanDerWaalsContact SD-CZ 3.59Å; M118-R121 PolarHBondContact SD-NH2 2.69Å; V119-R121 PolarHBondContact O-N 2.7Å |
| 122 | N | 56.2 | Low | 60.8 | Low | 89 Ų | 89 | 96.5 Ų | 96.5 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -103 | -18.1 | 178.5 | -86 | -12.8 | 0 | 0 | 0 | 114.1 | M118 V119 V125 A126 | M118-N122 WeakPolarHBondContact O-CB 3.43Å; M118-N122 PolarHBondContact O-N 3.47Å; V119-N122 PolarHBondContact O-N 2.99Å; N122-V125 PolarHBondContact O-N 3.41Å; N122-A126 WeakPolarHBondContact O-CB 3.36Å; N122-A126 PolarHBondContact O-N 3.36Å |
| 123 | M | 56.9 | Low | 62.5 | Low | 118 Ų | 118 | 99 Ų | 99 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.9 | -45.6 | 176.6 | -172.9 | 174.7 | 72.5 | 0 | 0 | 111.8 | V119 V125 A126 D127 | V119-M123 WeakPolarHBondContact O-CB 3.38Å; V119-M123 PolarHBondContact O-N 3.36Å; V119-M123 VanDerWaalsContact O-N 3.08Å; M123-V125 PolarHBondContact O-N 3.47Å; M123-A126 PolarHBondContact O-N 2.97Å; M123-D127 PolarHBondContact O-N 2.96Å |
| 124 | V | 59.6 | Low | 64.1 | Low | 89 Ų | 89 | 101 Ų | 101 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | D128 | V124-D128 VanDerWaalsContact O-CB 3.31Å; V124-D128 WeakPolarHBondContact O-CB 3.18Å; V124-D128 PolarHBondContact O-N 3.3Å |
| 125 | V | 60.5 | Low | 66 | Low | 87 Ų | 87 | 100 Ų | 100 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.4 | -35.4 | -180 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | N122 M123 A129 | N122-V125 PolarHBondContact O-N 3.41Å; M123-V125 PolarHBondContact O-N 3.47Å; V125-A129 PolarHBondContact O-N 2.97Å |
| 126 | A | 66 | Low | 68.1 | Low | 59 Ų | 59 | 104.9 Ų | 104.9 | 49% | 0.488 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N122 M123 A129 A130 | N122-A126 WeakPolarHBondContact O-CB 3.36Å; N122-A126 PolarHBondContact O-N 3.36Å; M123-A126 PolarHBondContact O-N 2.97Å; A126-A129 PolarHBondContact O-N 3.44Å; A126-A130 PolarHBondContact O-N 3.4Å; A126-A130 VanDerWaalsContact O-N 3.08Å |
| 127 | D | 68.6 | Low | 70.2 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.6 | -37.8 | 175 | -73 | -20.8 | 0 | 0 | 0 | 111.5 | M123 A129 A130 F131 | M123-D127 PolarHBondContact O-N 2.96Å; D127-A129 PolarHBondContact O-N 3.03Å; D127-A130 PolarHBondContact O-N 2.65Å; D127-F131 WeakPolarHBondContact O-CB 3.5Å; D127-F131 PolarHBondContact O-N 3.41Å |
| 128 | D | 76.6 | Confident | 72.3 | Confident | 77 Ų | 77 | 100.3 Ų | 100.3 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 173 | -91.3 | 9.7 | 0 | 0 | 0 | 112.4 | V124 R132 | V124-D128 VanDerWaalsContact O-CB 3.31Å; V124-D128 WeakPolarHBondContact O-CB 3.18Å; V124-D128 PolarHBondContact O-N 3.3Å; D128-R132 VanDerWaalsContact O-CB 3.32Å; D128-R132 WeakPolarHBondContact O-CB 3.29Å; D128-R132 WeakPolarHBondContact O-CD 3.46Å; D128-R132 WeakPolarHBondContact O-CG 3.33Å; D128-R132 PolarHBondContact O-N 3.44Å |
| 129 | A | 80.1 | Confident | 74.6 | Confident | 51 Ų | 51 | 101.5 Ų | 101.5 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V125 A126 D127 F131 R132 E133 | V125-A129 PolarHBondContact O-N 2.97Å; A126-A129 PolarHBondContact O-N 3.44Å; D127-A129 PolarHBondContact O-N 3.03Å; A129-F131 PolarHBondContact O-N 3.4Å; A129-R132 PolarHBondContact O-N 3.39Å; A129-E133 WeakPolarHBondContact O-CG 3.43Å; A129-E133 PolarHBondContact O-N 3.29Å |
| 130 | A | 79.6 | Confident | 76.5 | Confident | 62 Ų | 62 | 99.9 Ų | 99.9 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A126 D127 E133 K134 | A126-A130 PolarHBondContact O-N 3.4Å; A126-A130 VanDerWaalsContact O-N 3.08Å; D127-A130 PolarHBondContact O-N 2.65Å; A130-E133 PolarHBondContact O-N 3.31Å; A130-K134 PolarHBondContact O-N 3.01Å |
| 131 | F | 74.4 | Confident | 78.5 | Confident | 147 Ų | 147 | 95.6 Ų | 95.6 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 177.1 | -171 | -98 | 0 | 0 | 0 | 112.4 | D127 A129 K134 S135 | D127-F131 WeakPolarHBondContact O-CB 3.5Å; D127-F131 PolarHBondContact O-N 3.41Å; A129-F131 PolarHBondContact O-N 3.4Å; F131-K134 PolarHBondContact O-N 3.01Å; F131-S135 WeakPolarHBondContact O-CB 3.43Å; F131-S135 PolarHBondContact O-N 3.08Å; F131-S135 PolarHBondContact O-OG 3.44Å |
| 132 | R | 88.8 | Confident | 80.5 | Confident | 156 Ų | 156 | 96 Ų | 96 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 173.4 | -74.5 | 170.9 | -171.7 | -134.4 | 5 | 112.1 | D128 A129 S135 K136 | D128-R132 VanDerWaalsContact O-CB 3.32Å; D128-R132 WeakPolarHBondContact O-CB 3.29Å; D128-R132 WeakPolarHBondContact O-CD 3.46Å; D128-R132 WeakPolarHBondContact O-CG 3.33Å; D128-R132 PolarHBondContact O-N 3.44Å; A129-R132 PolarHBondContact O-N 3.39Å; R132-S135 VanDerWaalsContact CA-OG 3.3Å; R132-S135 WeakPolarHBondContact CA-OG 3.29Å; R132-S135 PolarHBondContact O-OG 2.91Å; R132-K136 WeakPolarHBondContact O-CG 3.19Å; R132-K136 PolarHBondContact O-N 3.34Å |
| 133 | E | 88.1 | Confident | 82.3 | Confident | 106 Ų | 106 | 101.1 Ų | 101.1 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 176.1 | -65.7 | -47.8 | 132.4 | 0 | 0 | 112.2 | A129 A130 S135 K136 L137 | A129-E133 WeakPolarHBondContact O-CG 3.43Å; A129-E133 PolarHBondContact O-N 3.29Å; A130-E133 PolarHBondContact O-N 3.31Å; E133-S135 PolarHBondContact O-N 3.04Å; E133-K136 PolarHBondContact O-N 3.46Å; E133-K136 IonicContact OE1-NZ 2.69Å; E133-K136 PolarHBondContact OE1-NZ 3.36Å; E133-K136 IonicContact OE2-NZ 3.65Å; E133-L137 PolarHBondContact O-N 3.07Å |
| 134 | K | 87 | Confident | 84.2 | Confident | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 175.4 | -175.4 | -178.5 | 177.3 | -177.5 | 0 | 112.1 | A130 F131 L137 L138 | A130-K134 PolarHBondContact O-N 3.01Å; F131-K134 PolarHBondContact O-N 3.01Å; K134-L137 PolarHBondContact O-N 2.76Å; K134-L138 HydrophobicContact CG-CD1 4.35Å; K134-L138 WeakPolarHBondContact O-CG 2.96Å; K134-L138 PolarHBondContact O-N 3.47Å |
| 135 | S | 86.1 | Confident | 85.9 | Confident | 48 Ų | 48 | 104 Ų | 104 | 34% | 0.336 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 112 | F131 R132 E133 L137 L138 T139 | F131-S135 WeakPolarHBondContact O-CB 3.43Å; F131-S135 PolarHBondContact O-N 3.08Å; F131-S135 PolarHBondContact O-OG 3.44Å; R132-S135 VanDerWaalsContact CA-OG 3.3Å; R132-S135 WeakPolarHBondContact CA-OG 3.29Å; R132-S135 PolarHBondContact O-OG 2.91Å; E133-S135 PolarHBondContact O-N 3.04Å; S135-L137 VanDerWaalsContact C-N 3.34Å; S135-L137 PolarHBondContact O-N 3.08Å; S135-L138 PolarHBondContact O-N 3.24Å; S135-T139 PolarHBondContact O-N 2.98Å; S135-T139 PolarHBondContact O-OG1 2.74Å |
| 136 | K | 93.4 | Very high | 87.6 | Confident | 120 Ų | 120 | 107.9 Ų | 107.9 | 52% | 0.522 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.4 | -46.4 | 172.2 | -74.1 | 169.6 | -173.7 | 175.3 | 0 | 112.2 | R132 E133 T139 S140 | R132-K136 WeakPolarHBondContact O-CG 3.19Å; R132-K136 PolarHBondContact O-N 3.34Å; E133-K136 PolarHBondContact O-N 3.46Å; E133-K136 IonicContact OE1-NZ 2.69Å; E133-K136 PolarHBondContact OE1-NZ 3.36Å; E133-K136 IonicContact OE2-NZ 3.65Å; K136-T139 PolarHBondContact O-N 2.6Å; K136-S140 WeakPolarHBondContact O-CB 3.4Å; K136-S140 PolarHBondContact O-N 2.91Å; K136-S140 PolarHBondContact O-OG 3.42Å |
| 137 | L | 94.9 | Very high | 89 | Confident | 114 Ų | 114 | 109.4 Ų | 109.4 | 60% | 0.597 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -48.3 | 177.8 | 179.6 | 67.1 | 0 | 0 | 0 | 111 | E133 K134 S135 T139 S140 M141 | E133-L137 PolarHBondContact O-N 3.07Å; K134-L137 PolarHBondContact O-N 2.76Å; S135-L137 VanDerWaalsContact C-N 3.34Å; S135-L137 PolarHBondContact O-N 3.08Å; L137-T139 PolarHBondContact O-N 3.4Å; L137-S140 PolarHBondContact O-N 2.84Å; L137-S140 PolarHBondContact O-OG 2.75Å; L137-M141 WeakPolarHBondContact O-CB 3.11Å; L137-M141 PolarHBondContact O-N 3.09Å |
| 138 | L | 94.2 | Very high | 90.2 | Very high | 84 Ų | 84 | 108.5 Ų | 108.5 | 44% | 0.44 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 179.8 | -70.2 | 173.3 | 0 | 0 | 0 | 112.3 | K134 S135 S140 M141 E142 | K134-L138 HydrophobicContact CG-CD1 4.35Å; K134-L138 WeakPolarHBondContact O-CG 2.96Å; K134-L138 PolarHBondContact O-N 3.47Å; S135-L138 PolarHBondContact O-N 3.24Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.09Å; L138-M141 WeakPolarHBondContact O-CB 3.19Å; L138-M141 PolarHBondContact O-N 3.09Å; L138-E142 WeakPolarHBondContact O-CG 3.19Å; L138-E142 PolarHBondContact O-N 2.83Å |
| 139 | T | 94.4 | Very high | 91 | Very high | 92 Ų | 92 | 107.4 Ų | 107.4 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | S135 K136 L137 M141 E142 R143 | S135-T139 PolarHBondContact O-N 2.98Å; S135-T139 PolarHBondContact O-OG1 2.74Å; K136-T139 PolarHBondContact O-N 2.6Å; L137-T139 PolarHBondContact O-N 3.4Å; T139-M141 VanDerWaalsContact C-N 3.32Å; T139-M141 PolarHBondContact O-N 3.36Å; T139-E142 PolarHBondContact O-N 3.25Å; T139-R143 WeakPolarHBondContact O-CB 3.11Å; T139-R143 PolarHBondContact O-N 3.08Å |
| 140 | S | 92.9 | Very high | 91.7 | Very high | 62 Ų | 62 | 110.8 Ų | 110.8 | 43% | 0.434 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 175.9 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | K136 L137 L138 R143 Q144 | K136-S140 WeakPolarHBondContact O-CB 3.4Å; K136-S140 PolarHBondContact O-N 2.91Å; K136-S140 PolarHBondContact O-OG 3.42Å; L137-S140 PolarHBondContact O-N 2.84Å; L137-S140 PolarHBondContact O-OG 2.75Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.09Å; S140-R143 PolarHBondContact O-N 3.35Å; S140-Q144 WeakPolarHBondContact O-CB 3.3Å; S140-Q144 PolarHBondContact O-N 2.77Å |
| 141 | M | 96.6 | Very high | 92.5 | Very high | 84 Ų | 84 | 112.5 Ų | 112.5 | 41% | 0.414 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 178.4 | -178.2 | -175.4 | -176.6 | 0 | 0 | 111.5 | L137 L138 T139 R143 Q144 K145 | L137-M141 WeakPolarHBondContact O-CB 3.11Å; L137-M141 PolarHBondContact O-N 3.09Å; L138-M141 WeakPolarHBondContact O-CB 3.19Å; L138-M141 PolarHBondContact O-N 3.09Å; T139-M141 VanDerWaalsContact C-N 3.32Å; T139-M141 PolarHBondContact O-N 3.36Å; M141-R143 VanDerWaalsContact C-N 3.34Å; M141-Q144 PolarHBondContact O-N 3.36Å; M141-K145 VanDerWaalsContact CE-CE 3.5Å; M141-K145 WeakPolarHBondContact O-CG 3.31Å; M141-K145 PolarHBondContact O-N 3.36Å |
| 142 | E | 94.9 | Very high | 93.2 | Very high | 131 Ų | 131 | 110.8 Ų | 110.8 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 174.4 | -72.7 | 173.8 | -179.4 | 0 | 0 | 111.5 | L138 T139 Q144 K145 W146 | L138-E142 WeakPolarHBondContact O-CG 3.19Å; L138-E142 PolarHBondContact O-N 2.83Å; T139-E142 PolarHBondContact O-N 3.25Å; E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.92Å; E142-K145 PolarHBondContact O-N 2.75Å; E142-W146 WeakPolarHBondContact O-CB 3.17Å; E142-W146 PolarHBondContact O-N 3.26Å |
| 143 | R | 95.8 | Very high | 93.2 | Very high | 196 Ų | 196 | 109.9 Ų | 109.9 | 74% | 0.74 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.8 | -42.2 | 175 | -172.5 | 177.3 | -176.8 | 133.4 | 1.2 | 112 | T139 S140 M141 W146 L147 | T139-R143 WeakPolarHBondContact O-CB 3.11Å; T139-R143 PolarHBondContact O-N 3.08Å; S140-R143 PolarHBondContact O-N 3.35Å; M141-R143 VanDerWaalsContact C-N 3.34Å; R143-W146 PolarHBondContact O-N 2.71Å; R143-L147 WeakPolarHBondContact O-CB 3.2Å; R143-L147 PolarHBondContact O-N 3.1Å |
| 144 | Q | 94.9 | Very high | 93.1 | Very high | 137 Ų | 137 | 109.4 Ų | 109.4 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 177.1 | -174.6 | -179.5 | 0 | 0 | 0 | 111.9 | S140 M141 E142 W146 L147 N148 | S140-Q144 WeakPolarHBondContact O-CB 3.3Å; S140-Q144 PolarHBondContact O-N 2.77Å; M141-Q144 PolarHBondContact O-N 3.36Å; E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.92Å; Q144-W146 VanDerWaalsContact C-N 3.33Å; Q144-W146 PolarHBondContact O-N 2.85Å; Q144-L147 PolarHBondContact O-N 3.33Å; Q144-N148 WeakPolarHBondContact O-CB 3.37Å; Q144-N148 PolarHBondContact O-N 3.24Å |
| 145 | K | 96.6 | Very high | 92.8 | Very high | 130 Ų | 130 | 108.9 Ų | 108.9 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 175.5 | -74.9 | 178 | 178.1 | -178.6 | 0 | 111.6 | M141 E142 N148 S149 | M141-K145 VanDerWaalsContact CE-CE 3.5Å; M141-K145 WeakPolarHBondContact O-CG 3.31Å; M141-K145 PolarHBondContact O-N 3.36Å; E142-K145 PolarHBondContact O-N 2.75Å; K145-N148 PolarHBondContact O-N 2.84Å; K145-S149 PolarHBondContact O-N 3.19Å |
| 146 | W | 95.4 | Very high | 92.1 | Very high | 170 Ų | 170 | 112 Ų | 112 | 64% | 0.644 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.7 | -48.5 | 177.5 | 178.9 | 84.4 | 0 | 0 | 0 | 111.4 | E142 R143 Q144 N148 S149 Y150 | E142-W146 WeakPolarHBondContact O-CB 3.17Å; E142-W146 PolarHBondContact O-N 3.26Å; R143-W146 PolarHBondContact O-N 2.71Å; Q144-W146 VanDerWaalsContact C-N 3.33Å; Q144-W146 PolarHBondContact O-N 2.85Å; W146-N148 PolarHBondContact O-N 3.26Å; W146-S149 PolarHBondContact O-N 3.11Å; W146-Y150 WeakPolarHBondContact O-CB 3.2Å; W146-Y150 PolarHBondContact O-N 2.81Å |
| 147 | L | 96.6 | Very high | 90.8 | Very high | 90 Ų | 90 | 112 Ų | 112 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -43 | 178.3 | -171.8 | 123.2 | 0 | 0 | 0 | 112 | R143 Q144 Y150 M151 | R143-L147 WeakPolarHBondContact O-CB 3.2Å; R143-L147 PolarHBondContact O-N 3.1Å; Q144-L147 PolarHBondContact O-N 3.33Å; L147-Y150 PolarHBondContact O-N 2.72Å; L147-M151 HydrophobicContact CD2-CG 4.38Å; L147-M151 HydrophobicContact CD2-SD 3.71Å; L147-M151 HydrophobicContact CG-SD 4.48Å; L147-M151 WeakPolarHBondContact O-CG 3.26Å; L147-M151 PolarHBondContact O-N 2.79Å |
| 148 | N | 92.8 | Very high | 89 | Confident | 85 Ų | 85 | 114 Ų | 114 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.2 | -47.5 | 178.7 | -168.3 | -17.3 | 0 | 0 | 0 | 111.3 | Q144 K145 W146 Y150 M151 Q152 | Q144-N148 WeakPolarHBondContact O-CB 3.37Å; Q144-N148 PolarHBondContact O-N 3.24Å; K145-N148 PolarHBondContact O-N 2.84Å; W146-N148 PolarHBondContact O-N 3.26Å; N148-Y150 VanDerWaalsContact C-N 3.31Å; N148-Y150 PolarHBondContact O-N 2.81Å; N148-M151 PolarHBondContact O-N 2.98Å; N148-Q152 WeakPolarHBondContact O-CG 3.41Å; N148-Q152 PolarHBondContact O-N 3.06Å; N148-Q152 PolarHBondContact OD1-NE2 3.47Å |
| 149 | S | 93.9 | Very high | 87.1 | Confident | 55 Ų | 55 | 117.8 Ų | 117.8 | 39% | 0.385 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.6 | -40.6 | 175 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | K145 W146 Q152 K153 | K145-S149 PolarHBondContact O-N 3.19Å; W146-S149 PolarHBondContact O-N 3.11Å; S149-Q152 PolarHBondContact O-N 2.83Å; S149-K153 WeakPolarHBondContact O-CG 3.27Å; S149-K153 PolarHBondContact O-N 2.82Å |
| 150 | Y | 95.2 | Very high | 86.8 | Confident | 122 Ų | 122 | 119.1 Ų | 119.1 | 48% | 0.478 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.5 | -45.2 | 177.7 | -175.8 | -101.7 | 0 | 0 | 0 | 112.3 | W146 L147 N148 Q152 K153 L154 | W146-Y150 WeakPolarHBondContact O-CB 3.2Å; W146-Y150 PolarHBondContact O-N 2.81Å; L147-Y150 PolarHBondContact O-N 2.72Å; N148-Y150 VanDerWaalsContact C-N 3.31Å; N148-Y150 PolarHBondContact O-N 2.81Å; Y150-Q152 PolarHBondContact O-N 3.36Å; Y150-K153 PolarHBondContact O-N 3.47Å; Y150-L154 HydrophobicContact CD1-CD1 3.94Å; Y150-L154 HydrophobicContact CE1-CD1 3.42Å; Y150-L154 VanDerWaalsContact CE1-CD1 3.42Å; Y150-L154 HydrophobicContact CE1-CG 4.17Å; Y150-L154 PolarHBondContact O-N 3.41Å |
| 151 | M | 94.8 | Very high | 86.5 | Confident | 98 Ų | 98 | 122.1 Ų | 122.1 | 48% | 0.483 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.9 | -44.4 | 175 | -74.8 | -176.3 | 65.4 | 0 | 0 | 111.9 | L147 N148 K153 L154 L155 | L147-M151 HydrophobicContact CD2-CG 4.38Å; L147-M151 HydrophobicContact CD2-SD 3.71Å; L147-M151 HydrophobicContact CG-SD 4.48Å; L147-M151 WeakPolarHBondContact O-CG 3.26Å; L147-M151 PolarHBondContact O-N 2.79Å; N148-M151 PolarHBondContact O-N 2.98Å; M151-K153 VanDerWaalsContact C-N 3.34Å; M151-K153 PolarHBondContact O-N 2.94Å; M151-L154 PolarHBondContact O-N 2.85Å; M151-L155 WeakPolarHBondContact O-CG 3.11Å; M151-L155 PolarHBondContact O-N 3.02Å |
| 152 | Q | 89.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 124.2 Ų | 124.2 | 51% | 0.514 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.2 | -42.5 | 177.1 | -73.3 | 177.4 | -9.7 | 0 | 0 | 111.8 | N148 S149 Y150 L154 L155 V156 | N148-Q152 WeakPolarHBondContact O-CG 3.41Å; N148-Q152 PolarHBondContact O-N 3.06Å; N148-Q152 PolarHBondContact OD1-NE2 3.47Å; S149-Q152 PolarHBondContact O-N 2.83Å; Y150-Q152 PolarHBondContact O-N 3.36Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 3.25Å; Q152-L155 PolarHBondContact O-N 3.23Å; Q152-V156 WeakPolarHBondContact O-CB 3.2Å; Q152-V156 VanDerWaalsContact O-CG2 3.27Å; Q152-V156 WeakPolarHBondContact O-CG2 3.3Å; Q152-V156 PolarHBondContact O-N 2.89Å |
| 153 | K | 89.3 | Confident | 85.4 | Confident | 138 Ų | 138 | 123.8 Ų | 123.8 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.2 | -42.4 | 175.2 | -73.7 | -178.8 | -178.7 | -173.6 | 0 | 111.9 | S149 Y150 M151 V157 | S149-K153 WeakPolarHBondContact O-CG 3.27Å; S149-K153 PolarHBondContact O-N 2.82Å; Y150-K153 PolarHBondContact O-N 3.47Å; M151-K153 VanDerWaalsContact C-N 3.34Å; M151-K153 PolarHBondContact O-N 2.94Å; K153-V157 VanDerWaalsContact O-CB 3.3Å; K153-V157 WeakPolarHBondContact O-CB 2.99Å; K153-V157 WeakPolarHBondContact O-CG2 3.49Å; K153-V157 PolarHBondContact O-N 3.41Å |
| 154 | L | 86.9 | Confident | 84.7 | Confident | 95 Ų | 95 | 119.3 Ų | 119.3 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.4 | -41.2 | 177.3 | -71.3 | 176.8 | 0 | 0 | 0 | 112.6 | Y150 M151 Q152 | Y150-L154 HydrophobicContact CD1-CD1 3.94Å; Y150-L154 HydrophobicContact CE1-CD1 3.42Å; Y150-L154 VanDerWaalsContact CE1-CD1 3.42Å; Y150-L154 HydrophobicContact CE1-CG 4.17Å; Y150-L154 PolarHBondContact O-N 3.41Å; M151-L154 PolarHBondContact O-N 2.85Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 3.25Å |
| 155 | L | 78.9 | Confident | 84 | Confident | 126 Ų | 126 | 118.1 Ų | 118.1 | 66% | 0.66 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.6 | -39.2 | -179 | -70.3 | 171.1 | 0 | 0 | 0 | 112.6 | M151 Q152 N158 | M151-L155 WeakPolarHBondContact O-CG 3.11Å; M151-L155 PolarHBondContact O-N 3.02Å; Q152-L155 PolarHBondContact O-N 3.23Å; L155-N158 PolarHBondContact O-N 3.5Å |
| 156 | V | 73.1 | Confident | 83.1 | Confident | 112 Ų | 112 | 117.2 Ų | 117.2 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71 | -31.7 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 112 | Q152 N158 | Q152-V156 WeakPolarHBondContact O-CB 3.2Å; Q152-V156 VanDerWaalsContact O-CG2 3.27Å; Q152-V156 WeakPolarHBondContact O-CG2 3.3Å; Q152-V156 PolarHBondContact O-N 2.89Å; V156-N158 VanDerWaalsContact C-N 3.28Å; V156-N158 PolarHBondContact O-N 3.36Å |
| 157 | V | 64.8 | Low | 82.2 | Confident | 121 Ų | 121 | 113.2 Ų | 113.2 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.6 | -14 | -179.5 | 171.3 | 0 | 0 | 0 | 0 | 112.8 | K153 | K153-V157 VanDerWaalsContact O-CB 3.3Å; K153-V157 WeakPolarHBondContact O-CB 2.99Å; K153-V157 WeakPolarHBondContact O-CG2 3.49Å; K153-V157 PolarHBondContact O-N 3.41Å |
| 158 | N | 57.3 | Low | 81 | Confident | 156 Ų | 156 | 115.1 Ų | 115.1 | 83% | 0.834 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 17.3 | -177.9 | -131.5 | -3.2 | 0 | 0 | 0 | 113.6 | L155 V156 | L155-N158 PolarHBondContact O-N 3.5Å; V156-N158 VanDerWaalsContact C-N 3.28Å; V156-N158 PolarHBondContact O-N 3.36Å |
| 159 | S | 55.3 | Low | 79.9 | Confident | 163 Ų | 163 | 117.8 Ų | 117.8 | 100% | 1.14 | 64% | 0.637 | S | S | * | * | trans | -114 | 0 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 159 of 159 residues in 227.3 ms
(Link to these results)