| 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 | 47 | Very low | 62.2 | Low | 223 Ų | 223 | 131.5 Ų | 131.5 | 100% | 1.099 | 66% | 0.664 | S | S | * | * | 0 | 99.6 | 0 | -78.8 | 73.8 | 162 | 0 | 0 | 108.5 | W3 | M1-W3 VanDerWaalsContact C-N 3.35Å; M1-W3 PolarHBondContact O-N 3.49Å | |||
| 2 | D | 48 | Very low | 62.8 | Low | 141 Ų | 141 | 126.8 Ų | 126.8 | 75% | 0.754 | 65% | 0.647 | S | S | * | * | trans | -78.5 | 80 | -166.9 | -59.9 | -91.9 | 0 | 0 | 0 | 112 | I4 G5 F6 | D2-I4 PolarHBondContact O-N 3.28Å; D2-I4 VanDerWaalsContact O-N 3.09Å; D2-G5 PolarHBondContact O-N 3.22Å; D2-F6 PolarHBondContact O-N 2.91Å | ||
| 3 | W | 56.8 | Low | 63.4 | Low | 231 Ų | 231 | 122.7 Ų | 122.7 | 88% | 0.875 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -49.7 | -32.5 | 174.2 | -166.3 | -99.2 | 0 | 0 | 0 | 112.8 | M1 G5 F6 G7 | M1-W3 VanDerWaalsContact C-N 3.35Å; M1-W3 PolarHBondContact O-N 3.49Å; W3-G5 VanDerWaalsContact C-N 3.34Å; W3-G5 PolarHBondContact O-N 2.79Å; W3-F6 PolarHBondContact O-N 2.87Å; W3-G7 PolarHBondContact O-N 2.86Å; W3-G7 VanDerWaalsContact O-N 3.15Å |
| 4 | I | 63.7 | Low | 64 | Low | 137 Ų | 137 | 117.1 Ų | 117.1 | 70% | 0.703 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.6 | -35.4 | 177.8 | -60.8 | 173.7 | 0 | 0 | 0 | 111.6 | D2 Y8 | D2-I4 PolarHBondContact O-N 3.28Å; D2-I4 VanDerWaalsContact O-N 3.09Å; I4-Y8 WeakPolarHBondContact O-CB 3.31Å; I4-Y8 PolarHBondContact O-N 3.41Å; I4-Y8 VanDerWaalsContact O-N 3.07Å |
| 5 | G | 62.8 | Low | 63.9 | Low | 42 Ų | 42 | 112.3 Ų | 112.3 | 43% | 0.433 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D2 W3 Y8 A9 | D2-G5 PolarHBondContact O-N 3.22Å; W3-G5 VanDerWaalsContact C-N 3.34Å; W3-G5 PolarHBondContact O-N 2.79Å; G5-Y8 PolarHBondContact O-N 3.09Å; G5-A9 WeakPolarHBondContact O-CB 3.2Å; G5-A9 PolarHBondContact O-N 2.95Å |
| 6 | F | 65.9 | Low | 63.5 | Low | 162 Ų | 162 | 108.1 Ų | 108.1 | 71% | 0.711 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.7 | -42 | 177.9 | -129.1 | -90.2 | 0 | 0 | 0 | 111.8 | D2 W3 Y8 A9 L10 | D2-F6 PolarHBondContact O-N 2.91Å; W3-F6 PolarHBondContact O-N 2.87Å; F6-Y8 VanDerWaalsContact C-N 3.33Å; F6-Y8 PolarHBondContact O-N 2.81Å; F6-A9 PolarHBondContact O-N 3.18Å; F6-L10 WeakPolarHBondContact O-CB 3.49Å; F6-L10 PolarHBondContact O-N 3.47Å |
| 7 | G | 76.1 | Confident | 63.3 | Low | 44 Ų | 44 | 107.8 Ų | 107.8 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.4 | -40.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W3 F11 | W3-G7 PolarHBondContact O-N 2.86Å; W3-G7 VanDerWaalsContact O-N 3.15Å; G7-F11 VanDerWaalsContact O-CB 3.31Å; G7-F11 WeakPolarHBondContact O-CB 3.22Å; G7-F11 PolarHBondContact O-N 3.45Å |
| 8 | Y | 52.3 | Low | 63 | Low | 132 Ų | 132 | 107.8 Ų | 107.8 | 52% | 0.518 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.5 | -41.7 | 175.9 | -170 | -108.3 | 0 | 0 | 0 | 112.3 | I4 G5 F6 F11 V12 K93 | I4-Y8 WeakPolarHBondContact O-CB 3.31Å; I4-Y8 PolarHBondContact O-N 3.41Å; I4-Y8 VanDerWaalsContact O-N 3.07Å; G5-Y8 PolarHBondContact O-N 3.09Å; F6-Y8 VanDerWaalsContact C-N 3.33Å; F6-Y8 PolarHBondContact O-N 2.81Å; Y8-F11 PolarHBondContact O-N 2.73Å; Y8-V12 HydrophobicContact CD1-CG2 4.09Å; Y8-V12 HydrophobicContact CD2-CG2 4.44Å; Y8-V12 HydrophobicContact CE1-CG2 3.77Å; Y8-V12 HydrophobicContact CE2-CG2 4.14Å; Y8-V12 HydrophobicContact CG-CG2 4.42Å; Y8-V12 VanDerWaalsContact O-CB 3.28Å; Y8-V12 WeakPolarHBondContact O-CB 3.36Å; Y8-V12 VanDerWaalsContact O-CG2 3.25Å; Y8-V12 WeakPolarHBondContact O-CG2 3.15Å; Y8-V12 PolarHBondContact O-N 2.91Å; Y8-K93 PolarHBondContact OH-NZ 3.39Å |
| 9 | A | 60.1 | Low | 62.4 | Low | 50 Ų | 50 | 104.1 Ų | 104.1 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.5 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G5 F6 S13 | G5-A9 WeakPolarHBondContact O-CB 3.2Å; G5-A9 PolarHBondContact O-N 2.95Å; F6-A9 PolarHBondContact O-N 3.18Å; A9-S13 WeakPolarHBondContact O-CB 3.4Å; A9-S13 PolarHBondContact O-N 3.16Å; A9-S13 PolarHBondContact O-OG 2.85Å |
| 10 | L | 77.7 | Confident | 61.7 | Low | 121 Ų | 121 | 109 Ų | 109 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.3 | -40.3 | 177.9 | -148.8 | 102.6 | 0 | 0 | 0 | 111.3 | F6 S13 A14 | F6-L10 WeakPolarHBondContact O-CB 3.49Å; F6-L10 PolarHBondContact O-N 3.47Å; L10-S13 PolarHBondContact O-N 2.99Å; L10-A14 VanDerWaalsContact O-CB 3.23Å; L10-A14 WeakPolarHBondContact O-CB 3.26Å; L10-A14 PolarHBondContact O-N 3.38Å |
| 11 | F | 74.3 | Confident | 61.1 | Low | 163 Ų | 163 | 108.1 Ų | 108.1 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70 | -40.7 | 178 | -167.1 | -96.9 | 0 | 0 | 0 | 112.3 | G7 Y8 G15 | G7-F11 VanDerWaalsContact O-CB 3.31Å; G7-F11 WeakPolarHBondContact O-CB 3.22Å; G7-F11 PolarHBondContact O-N 3.45Å; Y8-F11 PolarHBondContact O-N 2.73Å; F11-G15 PolarHBondContact O-N 2.84Å |
| 12 | V | 69.2 | Low | 61 | Low | 76 Ų | 76 | 105.7 Ų | 105.7 | 46% | 0.461 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.8 | -41.2 | 173 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | Y8 G16 | Y8-V12 HydrophobicContact CD1-CG2 4.09Å; Y8-V12 HydrophobicContact CD2-CG2 4.44Å; Y8-V12 HydrophobicContact CE1-CG2 3.77Å; Y8-V12 HydrophobicContact CE2-CG2 4.14Å; Y8-V12 HydrophobicContact CG-CG2 4.42Å; Y8-V12 VanDerWaalsContact O-CB 3.28Å; Y8-V12 WeakPolarHBondContact O-CB 3.36Å; Y8-V12 VanDerWaalsContact O-CG2 3.25Å; Y8-V12 WeakPolarHBondContact O-CG2 3.15Å; Y8-V12 PolarHBondContact O-N 2.91Å; V12-G16 PolarHBondContact O-N 2.79Å |
| 13 | S | 70.8 | Confident | 61 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 51% | 0.51 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.1 | -43 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | A9 L10 G16 V17 | A9-S13 WeakPolarHBondContact O-CB 3.4Å; A9-S13 PolarHBondContact O-N 3.16Å; A9-S13 PolarHBondContact O-OG 2.85Å; L10-S13 PolarHBondContact O-N 2.99Å; S13-G16 PolarHBondContact O-N 3.33Å; S13-V17 VanDerWaalsContact O-CG2 3.28Å; S13-V17 WeakPolarHBondContact O-CG2 3.18Å; S13-V17 PolarHBondContact O-N 2.8Å |
| 14 | A | 71.1 | Confident | 60.6 | Low | 45 Ų | 45 | 95.4 Ų | 95.4 | 37% | 0.372 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.2 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L10 G16 V17 I18 | L10-A14 VanDerWaalsContact O-CB 3.23Å; L10-A14 WeakPolarHBondContact O-CB 3.26Å; L10-A14 PolarHBondContact O-N 3.38Å; A14-G16 VanDerWaalsContact C-N 3.31Å; A14-G16 PolarHBondContact O-N 2.8Å; A14-V17 PolarHBondContact O-N 3.4Å; A14-I18 WeakPolarHBondContact O-CB 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.32Å; A14-I18 WeakPolarHBondContact O-CG1 3.5Å; A14-I18 PolarHBondContact O-N 2.84Å |
| 15 | G | 63.3 | Low | 60 | Low | 44 Ų | 44 | 92.1 Ų | 92.1 | 45% | 0.454 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | F11 G19 | F11-G15 PolarHBondContact O-N 2.84Å; G15-G19 PolarHBondContact O-N 2.75Å |
| 16 | G | 56.8 | Low | 59.4 | Low | 45 Ų | 45 | 95.4 Ų | 95.4 | 46% | 0.464 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.6 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | V12 S13 A14 G19 Y20 | V12-G16 PolarHBondContact O-N 2.79Å; S13-G16 PolarHBondContact O-N 3.33Å; A14-G16 VanDerWaalsContact C-N 3.31Å; A14-G16 PolarHBondContact O-N 2.8Å; G16-G19 PolarHBondContact O-N 3.42Å; G16-Y20 WeakPolarHBondContact O-CB 3.45Å; G16-Y20 PolarHBondContact O-N 3.03Å |
| 17 | V | 60.4 | Low | 58.5 | Low | 104 Ų | 104 | 92.5 Ų | 92.5 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.5 | -42 | 178.4 | 174 | 0 | 0 | 0 | 0 | 111.2 | S13 A14 G19 Y20 A21 | S13-V17 VanDerWaalsContact O-CG2 3.28Å; S13-V17 WeakPolarHBondContact O-CG2 3.18Å; S13-V17 PolarHBondContact O-N 2.8Å; A14-V17 PolarHBondContact O-N 3.4Å; V17-G19 VanDerWaalsContact C-N 3.33Å; V17-Y20 PolarHBondContact O-N 3.22Å; V17-A21 WeakPolarHBondContact O-CB 3.29Å; V17-A21 PolarHBondContact O-N 2.99Å |
| 18 | I | 57.1 | Low | 57.1 | Low | 107 Ų | 107 | 94.7 Ų | 94.7 | 55% | 0.549 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -35.4 | 175.4 | -64.8 | 166.2 | 0 | 0 | 0 | 111 | A14 K22 | A14-I18 WeakPolarHBondContact O-CB 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.32Å; A14-I18 WeakPolarHBondContact O-CG1 3.5Å; A14-I18 PolarHBondContact O-N 2.84Å; I18-K22 WeakPolarHBondContact O-CB 3.43Å; I18-K22 PolarHBondContact O-N 3.25Å |
| 19 | G | 52.6 | Low | 57.1 | Low | 37 Ų | 37 | 94.2 Ų | 94.2 | 38% | 0.381 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.9 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G15 G16 V17 K22 A23 | G15-G19 PolarHBondContact O-N 2.75Å; G16-G19 PolarHBondContact O-N 3.42Å; V17-G19 VanDerWaalsContact C-N 3.33Å; G19-K22 PolarHBondContact O-N 2.72Å; G19-A23 WeakPolarHBondContact O-CB 3.13Å; G19-A23 PolarHBondContact O-N 3.46Å |
| 20 | Y | 48.2 | Very low | 57.1 | Low | 203 Ų | 203 | 95.5 Ų | 95.5 | 80% | 0.796 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.6 | -39.6 | 179 | -150.7 | -93.5 | 0 | 0 | 0 | 112 | G16 V17 K22 | G16-Y20 WeakPolarHBondContact O-CB 3.45Å; G16-Y20 PolarHBondContact O-N 3.03Å; V17-Y20 PolarHBondContact O-N 3.22Å; Y20-K22 PolarHBondContact O-N 3.45Å |
| 21 | A | 48.3 | Very low | 56 | Low | 90 Ų | 90 | 92.1 Ų | 92.1 | 74% | 0.744 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.5 | -20.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V17 | V17-A21 WeakPolarHBondContact O-CB 3.29Å; V17-A21 PolarHBondContact O-N 2.99Å |
| 22 | K | 46.5 | Very low | 54.7 | Low | 173 Ų | 173 | 86.5 Ų | 86.5 | 75% | 0.752 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -101 | -19.1 | -173.8 | -163.2 | 172.2 | -69.2 | -161.7 | 0 | 114.3 | I18 G19 Y20 | I18-K22 WeakPolarHBondContact O-CB 3.43Å; I18-K22 PolarHBondContact O-N 3.25Å; G19-K22 PolarHBondContact O-N 2.72Å; Y20-K22 PolarHBondContact O-N 3.45Å |
| 23 | A | 47.9 | Very low | 54.4 | Low | 73 Ų | 73 | 87.5 Ų | 87.5 | 60% | 0.603 | 57% | 0.571 | S | S | * | * | trans | -93.5 | 12.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G19 S25 | G19-A23 WeakPolarHBondContact O-CB 3.13Å; G19-A23 PolarHBondContact O-N 3.46Å; A23-S25 PolarHBondContact O-N 3.08Å | ||
| 24 | G | 47.5 | Very low | 54.2 | Low | 83 Ų | 83 | 88.3 Ų | 88.3 | 86% | 0.856 | 57% | 0.572 | S | S | * | * | trans | -45.3 | 87.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 25 | S | 51.9 | Low | 53.5 | Low | 67 Ų | 67 | 92.7 Ų | 92.7 | 47% | 0.469 | 58% | 0.583 | S | S | . | * | trans | -156.4 | 105.5 | 177.8 | -158.1 | 0 | 0 | 0 | 0 | 112.1 | A23 T27 S28 | A23-S25 PolarHBondContact O-N 3.08Å; S25-T27 PolarHBondContact O-N 2.88Å; S25-T27 PolarHBondContact OG-OG1 3.47Å; S25-S28 PolarHBondContact O-N 2.89Å; S25-S28 VanDerWaalsContact O-N 3.11Å | ||
| 26 | V | 49.3 | Very low | 53 | Low | 111 Ų | 111 | 92.5 Ų | 92.5 | 67% | 0.673 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -49 | -25.7 | 170.8 | -161.1 | 0 | 0 | 0 | 0 | 111.9 | S28 L29 V30 | V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.91Å; V26-L29 WeakPolarHBondContact O-CB 3.1Å; V26-L29 PolarHBondContact O-N 3.45Å; V26-V30 HydrophobicContact CG1-CG2 4.43Å; V26-V30 WeakPolarHBondContact O-CG2 3.35Å; V26-V30 PolarHBondContact O-N 2.89Å |
| 27 | T | 48.2 | Very low | 53.3 | Low | 101 Ų | 101 | 96.8 Ų | 96.8 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.9 | -35.4 | 178 | -23.7 | 0 | 0 | 0 | 0 | 113.7 | S25 A31 | S25-T27 PolarHBondContact O-N 2.88Å; S25-T27 PolarHBondContact OG-OG1 3.47Å; T27-A31 VanDerWaalsContact O-CB 3.25Å; T27-A31 WeakPolarHBondContact O-CB 3.25Å; T27-A31 PolarHBondContact O-N 2.95Å |
| 28 | S | 44.8 | Very low | 53.1 | Low | 91 Ų | 91 | 94.5 Ų | 94.5 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -78 | -34.6 | 178.4 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | S25 V26 A31 G32 | S25-S28 PolarHBondContact O-N 2.89Å; S25-S28 VanDerWaalsContact O-N 3.11Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.91Å; S28-A31 PolarHBondContact O-N 3.26Å; S28-G32 PolarHBondContact O-N 3.02Å |
| 29 | L | 53.8 | Low | 52.8 | Low | 121 Ų | 121 | 92.2 Ų | 92.2 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.2 | -45.1 | 171.9 | -162.6 | 89.6 | 0 | 0 | 0 | 110.3 | V26 G32 I33 | V26-L29 WeakPolarHBondContact O-CB 3.1Å; V26-L29 PolarHBondContact O-N 3.45Å; L29-G32 PolarHBondContact O-N 3.36Å; L29-I33 HydrophobicContact CD2-CD1 4.19Å; L29-I33 HydrophobicContact CG-CD1 4.05Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 WeakPolarHBondContact O-CD1 3.39Å; L29-I33 WeakPolarHBondContact O-CG1 3.03Å; L29-I33 PolarHBondContact O-N 3.11Å |
| 30 | V | 59.4 | Low | 52.8 | Low | 78 Ų | 78 | 93.4 Ų | 93.4 | 47% | 0.473 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.1 | -43.8 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | V26 G32 I33 V34 | V26-V30 HydrophobicContact CG1-CG2 4.43Å; V26-V30 WeakPolarHBondContact O-CG2 3.35Å; V26-V30 PolarHBondContact O-N 2.89Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.33Å; V30-I33 PolarHBondContact O-N 3.45Å; V30-V34 HydrophobicContact CG1-CG2 4.22Å; V30-V34 WeakPolarHBondContact O-CB 3.36Å; V30-V34 WeakPolarHBondContact O-CG2 3.09Å; V30-V34 PolarHBondContact O-N 2.7Å |
| 31 | A | 53.8 | Low | 53 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.4 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T27 S28 V34 F35 | T27-A31 VanDerWaalsContact O-CB 3.25Å; T27-A31 WeakPolarHBondContact O-CB 3.25Å; T27-A31 PolarHBondContact O-N 2.95Å; S28-A31 PolarHBondContact O-N 3.26Å; A31-V34 PolarHBondContact O-N 3.34Å; A31-F35 WeakPolarHBondContact O-CB 3.4Å; A31-F35 PolarHBondContact O-N 3.23Å |
| 32 | G | 48.1 | Very low | 53.1 | Low | 45 Ų | 45 | 85.5 Ų | 85.5 | 46% | 0.464 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.8 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S28 L29 V30 G36 | S28-G32 PolarHBondContact O-N 3.02Å; L29-G32 PolarHBondContact O-N 3.36Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.33Å; G32-G36 WeakPolarHBondContact O-CA 3.37Å; G32-G36 PolarHBondContact O-N 3.4Å |
| 33 | I | 62.8 | Low | 53.2 | Low | 96 Ų | 96 | 81.7 Ų | 81.7 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 175.9 | -68.9 | 165.6 | 0 | 0 | 0 | 110.8 | L29 V30 M37 | L29-I33 HydrophobicContact CD2-CD1 4.19Å; L29-I33 HydrophobicContact CG-CD1 4.05Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 WeakPolarHBondContact O-CD1 3.39Å; L29-I33 WeakPolarHBondContact O-CG1 3.03Å; L29-I33 PolarHBondContact O-N 3.11Å; V30-I33 PolarHBondContact O-N 3.45Å; I33-M37 WeakPolarHBondContact O-CB 3.19Å; I33-M37 PolarHBondContact O-N 3.07Å |
| 34 | V | 65.4 | Low | 53.1 | Low | 90 Ų | 90 | 86.3 Ų | 86.3 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.2 | -45.9 | -179.1 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | V30 A31 A38 | V30-V34 HydrophobicContact CG1-CG2 4.22Å; V30-V34 WeakPolarHBondContact O-CB 3.36Å; V30-V34 WeakPolarHBondContact O-CG2 3.09Å; V30-V34 PolarHBondContact O-N 2.7Å; A31-V34 PolarHBondContact O-N 3.34Å; V34-A38 WeakPolarHBondContact O-CB 3.36Å; V34-A38 PolarHBondContact O-N 3.01Å |
| 35 | F | 56.9 | Low | 53.1 | Low | 138 Ų | 138 | 87.8 Ų | 87.8 | 61% | 0.605 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.9 | -35.6 | 174.5 | -97.1 | -90.3 | 0 | 0 | 0 | 112.2 | A31 A38 A39 M67 | A31-F35 WeakPolarHBondContact O-CB 3.4Å; A31-F35 PolarHBondContact O-N 3.23Å; F35-A38 PolarHBondContact O-N 3.38Å; F35-A39 VanDerWaalsContact O-CB 3.31Å; F35-A39 WeakPolarHBondContact O-CB 3.32Å; F35-A39 PolarHBondContact O-N 2.76Å; F35-M67 HydrophobicContact CZ-CE 4.36Å |
| 36 | G | 53.8 | Low | 52.6 | Low | 40 Ų | 40 | 89.2 Ų | 89.2 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G32 A39 A40 | G32-G36 WeakPolarHBondContact O-CA 3.37Å; G32-G36 PolarHBondContact O-N 3.4Å; G36-A39 PolarHBondContact O-N 2.64Å; G36-A40 VanDerWaalsContact O-CB 3.28Å; G36-A40 WeakPolarHBondContact O-CB 3.25Å; G36-A40 PolarHBondContact O-N 3.5Å |
| 37 | M | 62.2 | Low | 52.4 | Low | 135 Ų | 135 | 88.7 Ų | 88.7 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 172.9 | -84.2 | -142.1 | -176.9 | 0 | 0 | 112.1 | I33 A39 A40 V41 | I33-M37 WeakPolarHBondContact O-CB 3.19Å; I33-M37 PolarHBondContact O-N 3.07Å; M37-A39 VanDerWaalsContact C-N 3.32Å; M37-A39 PolarHBondContact O-N 2.89Å; M37-A40 PolarHBondContact O-N 3.2Å; M37-V41 WeakPolarHBondContact O-CB 3.32Å; M37-V41 VanDerWaalsContact O-CG2 3.24Å; M37-V41 WeakPolarHBondContact O-CG2 3.45Å; M37-V41 PolarHBondContact O-N 3.45Å |
| 38 | A | 56 | Low | 52.2 | Low | 55 Ų | 55 | 90.8 Ų | 90.8 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.1 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V34 F35 G42 | V34-A38 WeakPolarHBondContact O-CB 3.36Å; V34-A38 PolarHBondContact O-N 3.01Å; F35-A38 PolarHBondContact O-N 3.38Å; A38-G42 PolarHBondContact O-N 3.49Å |
| 39 | A | 50.9 | Low | 52.3 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.4 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | F35 G36 M37 V41 G42 V43 | F35-A39 VanDerWaalsContact O-CB 3.31Å; F35-A39 WeakPolarHBondContact O-CB 3.32Å; F35-A39 PolarHBondContact O-N 2.76Å; G36-A39 PolarHBondContact O-N 2.64Å; M37-A39 VanDerWaalsContact C-N 3.32Å; M37-A39 PolarHBondContact O-N 2.89Å; A39-V41 VanDerWaalsContact C-N 3.34Å; A39-V41 PolarHBondContact O-N 2.96Å; A39-G42 PolarHBondContact O-N 2.91Å; A39-V43 WeakPolarHBondContact O-CG2 3.49Å; A39-V43 PolarHBondContact O-N 3.19Å |
| 40 | A | 53.1 | Low | 52 | Low | 62 Ų | 62 | 92 Ų | 92 | 51% | 0.512 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.8 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G36 M37 V43 Y44 | G36-A40 VanDerWaalsContact O-CB 3.28Å; G36-A40 WeakPolarHBondContact O-CB 3.25Å; G36-A40 PolarHBondContact O-N 3.5Å; M37-A40 PolarHBondContact O-N 3.2Å; A40-V43 PolarHBondContact O-N 2.92Å; A40-Y44 WeakPolarHBondContact O-CB 2.97Å; A40-Y44 PolarHBondContact O-N 3.11Å |
| 41 | V | 53.4 | Low | 51.5 | Low | 85 Ų | 85 | 99 Ų | 99 | 52% | 0.515 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -44 | 173.2 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | M37 A39 V43 Y44 L45 | M37-V41 WeakPolarHBondContact O-CB 3.32Å; M37-V41 VanDerWaalsContact O-CG2 3.24Å; M37-V41 WeakPolarHBondContact O-CG2 3.45Å; M37-V41 PolarHBondContact O-N 3.45Å; A39-V41 VanDerWaalsContact C-N 3.34Å; A39-V41 PolarHBondContact O-N 2.96Å; V41-V43 VanDerWaalsContact C-N 3.35Å; V41-V43 PolarHBondContact O-N 3.19Å; V41-Y44 PolarHBondContact O-N 3.35Å; V41-L45 HydrophobicContact CG1-CD1 3.4Å; V41-L45 VanDerWaalsContact CG1-CD1 3.4Å; V41-L45 WeakPolarHBondContact O-CD1 3.33Å; V41-L45 PolarHBondContact O-N 3.47Å |
| 42 | G | 49.8 | Very low | 51.2 | Low | 42 Ų | 42 | 100.3 Ų | 100.3 | 43% | 0.433 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A38 A39 T46 | A38-G42 PolarHBondContact O-N 3.49Å; A39-G42 PolarHBondContact O-N 2.91Å; G42-T46 PolarHBondContact O-N 3.35Å; G42-T46 VanDerWaalsContact O-N 3.11Å |
| 43 | V | 49.3 | Very low | 51.4 | Low | 93 Ų | 93 | 103 Ų | 103 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.3 | -34.2 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | A39 A40 V41 L45 T46 S47 | A39-V43 WeakPolarHBondContact O-CG2 3.49Å; A39-V43 PolarHBondContact O-N 3.19Å; A40-V43 PolarHBondContact O-N 2.92Å; V41-V43 VanDerWaalsContact C-N 3.35Å; V41-V43 PolarHBondContact O-N 3.19Å; V43-L45 VanDerWaalsContact C-N 3.32Å; V43-L45 PolarHBondContact O-N 2.92Å; V43-T46 HydrophobicContact CG1-CG2 4.29Å; V43-T46 WeakPolarHBondContact O-CG2 3.44Å; V43-T46 PolarHBondContact O-N 2.89Å; V43-S47 PolarHBondContact O-N 3.42Å; V43-S47 VanDerWaalsContact O-N 3.13Å |
| 44 | Y | 44.5 | Very low | 50.8 | Low | 170 Ų | 170 | 109.5 Ų | 109.5 | 67% | 0.667 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66 | -36.1 | 176 | -153.4 | -100.6 | 0 | 0 | 0 | 112 | A40 V41 | A40-Y44 WeakPolarHBondContact O-CB 2.97Å; A40-Y44 PolarHBondContact O-N 3.11Å; V41-Y44 PolarHBondContact O-N 3.35Å |
| 45 | L | 48.3 | Very low | 49.9 | Very low | 113 Ų | 113 | 110.1 Ų | 110.1 | 59% | 0.592 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.9 | -30.9 | 172.1 | -81.2 | 97.2 | 0 | 0 | 0 | 113.2 | V41 V43 S47 | V41-L45 HydrophobicContact CG1-CD1 3.4Å; V41-L45 VanDerWaalsContact CG1-CD1 3.4Å; V41-L45 WeakPolarHBondContact O-CD1 3.33Å; V41-L45 PolarHBondContact O-N 3.47Å; V43-L45 VanDerWaalsContact C-N 3.32Å; V43-L45 PolarHBondContact O-N 2.92Å; L45-S47 VanDerWaalsContact C-N 3.32Å; L45-S47 PolarHBondContact O-N 2.95Å |
| 46 | T | 41.8 | Very low | 49.2 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.1 | -25.5 | 178.6 | -144.2 | 0 | 0 | 0 | 0 | 113.1 | G42 V43 | G42-T46 PolarHBondContact O-N 3.35Å; G42-T46 VanDerWaalsContact O-N 3.11Å; V43-T46 HydrophobicContact CG1-CG2 4.29Å; V43-T46 WeakPolarHBondContact O-CG2 3.44Å; V43-T46 PolarHBondContact O-N 2.89Å |
| 47 | S | 43.8 | Very low | 49.2 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -11.2 | -172.6 | -164.5 | 0 | 0 | 0 | 0 | 115.1 | V43 L45 | V43-S47 PolarHBondContact O-N 3.42Å; V43-S47 VanDerWaalsContact O-N 3.13Å; L45-S47 VanDerWaalsContact C-N 3.32Å; L45-S47 PolarHBondContact O-N 2.95Å |
| 48 | Q | 45.2 | Very low | 48.8 | Very low | 145 Ų | 145 | 105.6 Ų | 105.6 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -103.6 | -18.6 | -171 | -86.7 | -161.9 | 63.9 | 0 | 0 | 116.6 | ||
| 49 | N | 46.9 | Very low | 48.4 | Very low | 101 Ų | 101 | 107 Ų | 107 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | trans | -155.7 | 100.7 | -178.4 | -147.1 | 66.4 | 0 | 0 | 0 | 113.7 | R51 N52 | N49-R51 PolarHBondContact O-N 2.88Å; N49-N52 PolarHBondContact O-N 3.47Å | ||
| 50 | P | 46.7 | Very low | 48.3 | Very low | 136 Ų | 136 | 107.1 Ų | 107.1 | 88% | 0.883 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 41.2 | -179 | 33.2 | -36.3 | 0 | 0 | 0 | 113 | ||
| 51 | R | 48.7 | Very low | 48.2 | Very low | 225 Ų | 225 | 105.8 Ų | 105.8 | 85% | 0.849 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141 | 9.3 | 176.7 | -163.1 | 172.3 | -93.9 | -168.6 | -5.7 | 112.9 | N49 | N49-R51 PolarHBondContact O-N 2.88Š|
| 52 | N | 48.2 | Very low | 48.3 | Very low | 77 Ų | 77 | 106 Ų | 106 | 41% | 0.412 | 59% | 0.586 | S | S | . | * | trans | -114.5 | 30.3 | -175.1 | -133 | 54.5 | 0 | 0 | 0 | 113.5 | N49 W54 L55 S56 | N49-N52 PolarHBondContact O-N 3.47Å; N52-W54 PolarHBondContact O-N 2.9Å; N52-L55 WeakPolarHBondContact ND2-CB 3.41Å; N52-L55 WeakPolarHBondContact ND2-CD1 3.28Å; N52-L55 PolarHBondContact O-N 2.8Å; N52-L55 VanDerWaalsContact O-N 3.08Å; N52-S56 PolarHBondContact O-N 2.84Å | ||
| 53 | V | 52.7 | Low | 48.3 | Very low | 102 Ų | 102 | 109.3 Ų | 109.3 | 62% | 0.618 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -56 | -34.9 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | L55 L57 | V53-L55 PolarHBondContact O-N 2.89Å; V53-L57 WeakPolarHBondContact O-CB 3.24Å; V53-L57 PolarHBondContact O-N 3.26Å |
| 54 | W | 49.1 | Very low | 48.5 | Very low | 232 Ų | 232 | 107.8 Ų | 107.8 | 88% | 0.879 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.3 | -36.6 | 177.6 | -121.4 | -105.9 | 0 | 0 | 0 | 113.8 | N52 G58 | N52-W54 PolarHBondContact O-N 2.9Å; W54-G58 PolarHBondContact O-N 2.86Å |
| 55 | L | 47 | Very low | 48.9 | Very low | 104 Ų | 104 | 103.9 Ų | 103.9 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -77.7 | -43 | -176.9 | -133.7 | 131.2 | 0 | 0 | 0 | 109.7 | N52 V53 L57 G58 T59 | N52-L55 WeakPolarHBondContact ND2-CB 3.41Å; N52-L55 WeakPolarHBondContact ND2-CD1 3.28Å; N52-L55 PolarHBondContact O-N 2.8Å; N52-L55 VanDerWaalsContact O-N 3.08Å; V53-L55 PolarHBondContact O-N 2.89Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.38Å; L55-G58 WeakPolarHBondContact O-CA 3.44Å; L55-G58 PolarHBondContact O-N 3.44Å; L55-G58 VanDerWaalsContact O-N 3.16Å; L55-T59 PolarHBondContact O-N 3.5Å; L55-T59 PolarHBondContact O-OG1 3.4Å |
| 56 | S | 42.3 | Very low | 49.4 | Very low | 55 Ų | 55 | 102.7 Ų | 102.7 | 39% | 0.385 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -34.5 | 173.6 | -73.3 | 0 | 0 | 0 | 0 | 113.4 | N52 A60 | N52-S56 PolarHBondContact O-N 2.84Å; S56-A60 WeakPolarHBondContact O-CB 3.47Å; S56-A60 PolarHBondContact O-N 3.25Å |
| 57 | L | 53.4 | Low | 49.7 | Very low | 126 Ų | 126 | 103 Ų | 103 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.6 | -38.6 | 172.6 | -140.8 | 76.1 | 0 | 0 | 0 | 111.3 | V53 L55 G61 | V53-L57 WeakPolarHBondContact O-CB 3.24Å; V53-L57 PolarHBondContact O-N 3.26Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.38Å; L57-G61 WeakPolarHBondContact O-CA 3.19Å; L57-G61 PolarHBondContact O-N 3.3Å |
| 58 | G | 53 | Low | 49.9 | Very low | 37 Ų | 37 | 99.8 Ų | 99.8 | 38% | 0.381 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.9 | -53 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W54 L55 G61 T62 | W54-G58 PolarHBondContact O-N 2.86Å; L55-G58 WeakPolarHBondContact O-CA 3.44Å; L55-G58 PolarHBondContact O-N 3.44Å; L55-G58 VanDerWaalsContact O-N 3.16Å; G58-G61 PolarHBondContact O-N 3.33Å; G58-T62 WeakPolarHBondContact O-CB 3.44Å; G58-T62 PolarHBondContact O-N 2.85Å; G58-T62 PolarHBondContact O-OG1 3.34Å |
| 59 | T | 48.5 | Very low | 49.9 | Very low | 85 Ų | 85 | 98.3 Ų | 98.3 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -41.2 | 179.1 | -3.4 | 0 | 0 | 0 | 0 | 112.1 | L55 T62 L63 | L55-T59 PolarHBondContact O-N 3.5Å; L55-T59 PolarHBondContact O-OG1 3.4Å; T59-T62 PolarHBondContact O-N 3.49Å; T59-L63 VanDerWaalsContact O-CB 3.29Å; T59-L63 WeakPolarHBondContact O-CB 3.35Å; T59-L63 PolarHBondContact O-N 3.46Å |
| 60 | A | 48.7 | Very low | 49.9 | Very low | 61 Ų | 61 | 102.6 Ų | 102.6 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S56 A64 | S56-A60 WeakPolarHBondContact O-CB 3.47Å; S56-A60 PolarHBondContact O-N 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.31Å; A60-A64 PolarHBondContact O-N 2.9Å |
| 61 | G | 52.1 | Low | 49.9 | Very low | 34 Ų | 34 | 104.7 Ų | 104.7 | 35% | 0.351 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.7 | -44.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L57 G58 A64 V65 | L57-G61 WeakPolarHBondContact O-CA 3.19Å; L57-G61 PolarHBondContact O-N 3.3Å; G58-G61 PolarHBondContact O-N 3.33Å; G61-A64 PolarHBondContact O-N 3.13Å; G61-V65 VanDerWaalsContact O-CB 3.26Å; G61-V65 WeakPolarHBondContact O-CB 3.21Å; G61-V65 WeakPolarHBondContact O-CG2 3.34Å; G61-V65 PolarHBondContact O-N 2.96Å |
| 62 | T | 54.4 | Low | 49.8 | Very low | 90 Ų | 90 | 99.4 Ų | 99.4 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.2 | -41.1 | 176 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | G58 T59 V65 V66 | G58-T62 WeakPolarHBondContact O-CB 3.44Å; G58-T62 PolarHBondContact O-N 2.85Å; G58-T62 PolarHBondContact O-OG1 3.34Å; T59-T62 PolarHBondContact O-N 3.49Å; T62-V65 PolarHBondContact O-N 2.83Å; T62-V66 HydrophobicContact CG2-CG2 4.43Å; T62-V66 WeakPolarHBondContact O-CB 3.49Å; T62-V66 WeakPolarHBondContact O-CG2 3.28Å; T62-V66 PolarHBondContact O-N 3.33Å |
| 63 | L | 50 | Low | 49.4 | Very low | 111 Ų | 111 | 102.4 Ų | 102.4 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.6 | -38.5 | 176.8 | -145.2 | 71.6 | 0 | 0 | 0 | 111.6 | T59 M67 | T59-L63 VanDerWaalsContact O-CB 3.29Å; T59-L63 WeakPolarHBondContact O-CB 3.35Å; T59-L63 PolarHBondContact O-N 3.46Å; L63-M67 VanDerWaalsContact O-CB 3.25Å; L63-M67 WeakPolarHBondContact O-CB 3.39Å; L63-M67 WeakPolarHBondContact O-CG 3.28Å; L63-M67 PolarHBondContact O-N 2.96Å |
| 64 | A | 52.8 | Low | 49 | Very low | 62 Ų | 62 | 101.4 Ų | 101.4 | 51% | 0.512 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A60 G61 G68 | A60-A64 WeakPolarHBondContact O-CB 3.31Å; A60-A64 PolarHBondContact O-N 2.9Å; G61-A64 PolarHBondContact O-N 3.13Å; A64-G68 VanDerWaalsContact O-CA 3.32Å; A64-G68 WeakPolarHBondContact O-CA 3.33Å; A64-G68 PolarHBondContact O-N 3.29Å |
| 65 | V | 54.3 | Low | 48.9 | Very low | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.527 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.1 | -40.8 | 174.9 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | G61 T62 G68 L69 | G61-V65 VanDerWaalsContact O-CB 3.26Å; G61-V65 WeakPolarHBondContact O-CB 3.21Å; G61-V65 WeakPolarHBondContact O-CG2 3.34Å; G61-V65 PolarHBondContact O-N 2.96Å; T62-V65 PolarHBondContact O-N 2.83Å; V65-G68 PolarHBondContact O-N 2.94Å; V65-L69 HydrophobicContact CG1-CD1 3.56Å; V65-L69 HydrophobicContact CG1-CG 4.32Å; V65-L69 WeakPolarHBondContact O-CB 3.4Å; V65-L69 WeakPolarHBondContact O-CD1 3.43Å; V65-L69 VanDerWaalsContact O-CG 3.31Å; V65-L69 WeakPolarHBondContact O-CG 3.38Å; V65-L69 PolarHBondContact O-N 2.96Å |
| 66 | V | 57 | Low | 48.8 | Very low | 88 Ų | 88 | 106.1 Ų | 106.1 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.9 | -43.8 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | T62 R70 | T62-V66 HydrophobicContact CG2-CG2 4.43Å; T62-V66 WeakPolarHBondContact O-CB 3.49Å; T62-V66 WeakPolarHBondContact O-CG2 3.28Å; T62-V66 PolarHBondContact O-N 3.33Å; V66-R70 WeakPolarHBondContact O-CB 3.37Å; V66-R70 PolarHBondContact O-N 2.91Å; V66-R70 VanDerWaalsContact O-N 3.09Å |
| 67 | M | 48.8 | Very low | 49.3 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.5 | -33.9 | 175 | -76.9 | -82.2 | -176.4 | 0 | 0 | 112.2 | F35 L63 F71 | F35-M67 HydrophobicContact CZ-CE 4.36Å; L63-M67 VanDerWaalsContact O-CB 3.25Å; L63-M67 WeakPolarHBondContact O-CB 3.39Å; L63-M67 WeakPolarHBondContact O-CG 3.28Å; L63-M67 PolarHBondContact O-N 2.96Å; M67-F71 WeakPolarHBondContact O-CB 3.28Å; M67-F71 PolarHBondContact O-N 2.9Å |
| 68 | G | 47.8 | Very low | 48.9 | Very low | 32 Ų | 32 | 114.6 Ų | 114.6 | 33% | 0.33 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.3 | -43.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A64 V65 R70 F71 V72 | A64-G68 VanDerWaalsContact O-CA 3.32Å; A64-G68 WeakPolarHBondContact O-CA 3.33Å; A64-G68 PolarHBondContact O-N 3.29Å; V65-G68 PolarHBondContact O-N 2.94Å; G68-R70 VanDerWaalsContact C-N 3.29Å; G68-R70 PolarHBondContact O-N 3.45Å; G68-F71 PolarHBondContact O-N 3.43Å; G68-V72 WeakPolarHBondContact O-CG2 3.35Å; G68-V72 PolarHBondContact O-N 3.36Å |
| 69 | L | 44.8 | Very low | 48.6 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.4 | -34.6 | 172 | -76.9 | 163.5 | 0 | 0 | 0 | 111.3 | V65 N73 | V65-L69 HydrophobicContact CG1-CD1 3.56Å; V65-L69 HydrophobicContact CG1-CG 4.32Å; V65-L69 WeakPolarHBondContact O-CB 3.4Å; V65-L69 WeakPolarHBondContact O-CD1 3.43Å; V65-L69 VanDerWaalsContact O-CG 3.31Å; V65-L69 WeakPolarHBondContact O-CG 3.38Å; V65-L69 PolarHBondContact O-N 2.96Å; L69-N73 PolarHBondContact O-N 3.46Å |
| 70 | R | 47.7 | Very low | 48.7 | Very low | 192 Ų | 192 | 116.6 Ų | 116.6 | 73% | 0.725 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.4 | -25.7 | 173.6 | -164.8 | 175.2 | -176.3 | 174.2 | 2 | 112.9 | V66 G68 S74 | V66-R70 WeakPolarHBondContact O-CB 3.37Å; V66-R70 PolarHBondContact O-N 2.91Å; V66-R70 VanDerWaalsContact O-N 3.09Å; G68-R70 VanDerWaalsContact C-N 3.29Å; G68-R70 PolarHBondContact O-N 3.45Å; R70-S74 WeakPolarHBondContact O-CB 3.37Å; R70-S74 PolarHBondContact O-N 2.9Å |
| 71 | F | 45.7 | Very low | 48.8 | Very low | 180 Ų | 180 | 115.9 Ų | 115.9 | 79% | 0.789 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.5 | -33.7 | 176.9 | -166.5 | -100.7 | 0 | 0 | 0 | 112.7 | M67 G68 | M67-F71 WeakPolarHBondContact O-CB 3.28Å; M67-F71 PolarHBondContact O-N 2.9Å; G68-F71 PolarHBondContact O-N 3.43Å |
| 72 | V | 48 | Very low | 49 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 69% | 0.685 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.8 | -33.1 | 176.8 | 173 | 0 | 0 | 0 | 0 | 112.3 | G68 | G68-V72 WeakPolarHBondContact O-CG2 3.35Å; G68-V72 PolarHBondContact O-N 3.36Å |
| 73 | N | 40.1 | Very low | 48.9 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -86.8 | -10.6 | -179.8 | -96 | -26.8 | 0 | 0 | 0 | 115.1 | L69 W75 | L69-N73 PolarHBondContact O-N 3.46Å; N73-W75 PolarHBondContact O-N 2.95Å |
| 74 | S | 43 | Very low | 49 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | trans | -94.1 | 74.9 | 178.4 | -164 | 0 | 0 | 0 | 0 | 110.6 | R70 K76 | R70-S74 WeakPolarHBondContact O-CB 3.37Å; R70-S74 PolarHBondContact O-N 2.9Å; S74-K76 PolarHBondContact O-N 3.4Å | ||
| 75 | W | 46.5 | Very low | 49.6 | Very low | 245 Ų | 245 | 125.7 Ų | 125.7 | 93% | 0.928 | 66% | 0.655 | S | S | * | * | trans | -66.6 | 48.8 | 174.1 | -133.7 | 81.7 | 0 | 0 | 0 | 112.7 | N73 | N73-W75 PolarHBondContact O-N 2.95Š| ||
| 76 | K | 45.8 | Very low | 49.8 | Very low | 191 Ų | 191 | 124.4 Ų | 124.4 | 83% | 0.83 | 65% | 0.653 | S | S | * | * | trans | -150.1 | 109.6 | -177.4 | -142.8 | 96.6 | 157.4 | -171.2 | 0 | 113 | S74 | S74-K76 PolarHBondContact O-N 3.4Š| ||
| 77 | F | 52.2 | Low | 49.5 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 85% | 0.846 | 65% | 0.65 | S | S | * | * | trans | -37.4 | 152.6 | 176.2 | -106.1 | -110 | 0 | 0 | 0 | 119.7 | ||||
| 78 | M | 45.3 | Very low | 50.3 | Low | 165 Ų | 165 | 122.8 Ų | 122.8 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | trans | 92.5 | 99.7 | 163.1 | -63.3 | -175.7 | 173.4 | 0 | 0 | 117.3 | ||||
| 79 | P | 47.5 | Very low | 51 | Low | 100 Ų | 100 | 126.9 Ų | 126.9 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | S | Bend | -139.2 | 33.1 | 90.9 | 40.4 | -26.5 | 0 | 0 | 0 | 112.6 | G81 L82 M83 | P79-G81 PolarHBondContact O-N 2.92Å; P79-L82 PolarHBondContact O-N 2.83Å; P79-M83 PolarHBondContact O-N 3.46Å | |
| 80 | A | 50.4 | Low | 51.7 | Low | 65 Ų | 65 | 127.9 Ų | 127.9 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -61.6 | -26.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | T84 | A80-T84 WeakPolarHBondContact O-CB 3.42Å; A80-T84 PolarHBondContact O-N 3.45Å; A80-T84 PolarHBondContact O-OG1 3.22Å |
| 81 | G | 50.5 | Low | 52.3 | Low | 46 Ų | 46 | 123.2 Ų | 123.2 | 47% | 0.474 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.3 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P79 T84 L85 | P79-G81 PolarHBondContact O-N 2.92Å; G81-T84 WeakPolarHBondContact CA-OG1 3.22Å; G81-T84 PolarHBondContact O-OG1 3.08Å; G81-T84 VanDerWaalsContact O-OG1 3.07Å; G81-L85 WeakPolarHBondContact O-CB 3.19Å; G81-L85 PolarHBondContact O-N 3.31Å |
| 82 | L | 55.3 | Low | 53.2 | Low | 138 Ų | 138 | 118.4 Ų | 118.4 | 72% | 0.723 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.7 | -37.3 | 174 | -90.4 | 160.8 | 0 | 0 | 0 | 111.3 | P79 L85 A86 | P79-L82 PolarHBondContact O-N 2.83Å; L82-L85 PolarHBondContact O-N 2.84Å; L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 2.91Å |
| 83 | M | 53.6 | Low | 53.7 | Low | 151 Ų | 151 | 119.3 Ų | 119.3 | 74% | 0.744 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.4 | -37.6 | -179.9 | -140.7 | -178.2 | -169.2 | 0 | 0 | 112.1 | P79 A86 S87 | P79-M83 PolarHBondContact O-N 3.46Å; M83-A86 PolarHBondContact O-N 3.46Å; M83-S87 WeakPolarHBondContact O-CB 3.41Å; M83-S87 PolarHBondContact O-N 3.49Å |
| 84 | T | 52.5 | Low | 54.8 | Low | 89 Ų | 89 | 117 Ų | 117 | 55% | 0.546 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.3 | -41.7 | 170.9 | 35 | 0 | 0 | 0 | 0 | 111.4 | A80 G81 A86 S87 V88 | A80-T84 WeakPolarHBondContact O-CB 3.42Å; A80-T84 PolarHBondContact O-N 3.45Å; A80-T84 PolarHBondContact O-OG1 3.22Å; G81-T84 WeakPolarHBondContact CA-OG1 3.22Å; G81-T84 PolarHBondContact O-OG1 3.08Å; G81-T84 VanDerWaalsContact O-OG1 3.07Å; T84-A86 PolarHBondContact O-N 3.34Å; T84-S87 PolarHBondContact O-N 2.96Å; T84-V88 WeakPolarHBondContact O-CB 3.49Å; T84-V88 VanDerWaalsContact O-CG2 3.28Å; T84-V88 WeakPolarHBondContact O-CG2 3.25Å; T84-V88 PolarHBondContact O-N 3.24Å |
| 85 | L | 64.4 | Low | 55.9 | Low | 125 Ų | 125 | 118.4 Ų | 118.4 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.8 | -45.7 | 173.8 | -134 | 95.5 | 0 | 0 | 0 | 111.8 | G81 L82 S87 V88 L89 | G81-L85 WeakPolarHBondContact O-CB 3.19Å; G81-L85 PolarHBondContact O-N 3.31Å; L82-L85 PolarHBondContact O-N 2.84Å; L85-S87 VanDerWaalsContact C-N 3.35Å; L85-S87 PolarHBondContact O-N 3.45Å; L85-V88 PolarHBondContact O-N 2.71Å; L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 PolarHBondContact O-N 2.83Å |
| 86 | A | 58.2 | Low | 56.4 | Low | 59 Ų | 59 | 113.8 Ų | 113.8 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.3 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 M83 T84 L89 M90 | L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 2.91Å; M83-A86 PolarHBondContact O-N 3.46Å; T84-A86 PolarHBondContact O-N 3.34Å; A86-L89 PolarHBondContact O-N 3.18Å; A86-M90 PolarHBondContact O-N 3.41Å |
| 87 | S | 51.3 | Low | 57 | Low | 67 Ų | 67 | 106.3 Ų | 106.3 | 47% | 0.469 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.1 | -43.3 | 177.8 | -164.5 | 0 | 0 | 0 | 0 | 111.8 | M83 T84 L85 L89 M90 L91 | M83-S87 WeakPolarHBondContact O-CB 3.41Å; M83-S87 PolarHBondContact O-N 3.49Å; T84-S87 PolarHBondContact O-N 2.96Å; L85-S87 VanDerWaalsContact C-N 3.35Å; L85-S87 PolarHBondContact O-N 3.45Å; S87-L89 VanDerWaalsContact C-N 3.31Å; S87-L89 PolarHBondContact O-N 2.85Å; S87-M90 PolarHBondContact O-N 3.02Å; S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 WeakPolarHBondContact O-CG 3.22Å; S87-L91 PolarHBondContact O-N 2.88Å |
| 88 | V | 65.2 | Low | 56.9 | Low | 92 Ų | 92 | 103.4 Ų | 103.4 | 56% | 0.558 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60 | -43.4 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | T84 L85 M90 L91 T92 | T84-V88 WeakPolarHBondContact O-CB 3.49Å; T84-V88 VanDerWaalsContact O-CG2 3.28Å; T84-V88 WeakPolarHBondContact O-CG2 3.25Å; T84-V88 PolarHBondContact O-N 3.24Å; L85-V88 PolarHBondContact O-N 2.71Å; V88-M90 PolarHBondContact O-N 2.85Å; V88-L91 PolarHBondContact O-N 3.41Å; V88-T92 PolarHBondContact O-N 2.86Å; V88-T92 PolarHBondContact O-OG1 3.44Å |
| 89 | L | 63.8 | Low | 57.4 | Low | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.2 | -40.4 | 178.6 | -153.8 | 113.9 | 0 | 0 | 0 | 112.6 | L85 A86 S87 K93 | L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 PolarHBondContact O-N 2.83Å; A86-L89 PolarHBondContact O-N 3.18Å; S87-L89 VanDerWaalsContact C-N 3.31Å; S87-L89 PolarHBondContact O-N 2.85Å; L89-K93 PolarHBondContact O-N 2.92Å; L89-K93 VanDerWaalsContact O-N 3.08Å |
| 90 | M | 59.4 | Low | 57.4 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.7 | -43.2 | 176.6 | -124.8 | -174.4 | -178.8 | 0 | 0 | 111.6 | A86 S87 V88 T92 K93 I94 | A86-M90 PolarHBondContact O-N 3.41Å; S87-M90 PolarHBondContact O-N 3.02Å; V88-M90 PolarHBondContact O-N 2.85Å; M90-T92 PolarHBondContact O-N 2.79Å; M90-K93 PolarHBondContact O-N 3.33Å; M90-I94 WeakPolarHBondContact O-CD1 3.43Å; M90-I94 VanDerWaalsContact O-CG1 3.25Å; M90-I94 WeakPolarHBondContact O-CG1 3.31Å; M90-I94 PolarHBondContact O-N 3.07Å |
| 91 | L | 59.5 | Low | 57 | Low | 95 Ų | 95 | 105.9 Ų | 105.9 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.5 | -43.5 | 175.8 | -76.4 | 169.8 | 0 | 0 | 0 | 111.5 | S87 V88 K93 I94 I95 | S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 WeakPolarHBondContact O-CG 3.22Å; S87-L91 PolarHBondContact O-N 2.88Å; V88-L91 PolarHBondContact O-N 3.41Å; L91-K93 PolarHBondContact O-N 2.89Å; L91-I94 PolarHBondContact O-N 3.15Å; L91-I95 WeakPolarHBondContact O-CB 3.33Å; L91-I95 WeakPolarHBondContact O-CD1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.3Å |
| 92 | T | 64.1 | Low | 56.4 | Low | 79 Ų | 79 | 113.6 Ų | 113.6 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61 | -43.4 | 174.6 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | V88 M90 I94 I95 F96 | V88-T92 PolarHBondContact O-N 2.86Å; V88-T92 PolarHBondContact O-OG1 3.44Å; M90-T92 PolarHBondContact O-N 2.79Å; T92-I94 PolarHBondContact O-N 3.01Å; T92-I95 PolarHBondContact O-N 3.5Å; T92-F96 WeakPolarHBondContact O-CB 3.25Å; T92-F96 PolarHBondContact O-N 2.87Å |
| 93 | K | 58.7 | Low | 56.1 | Low | 131 Ų | 131 | 115 Ų | 115 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.1 | -40.6 | 175.1 | -83.7 | -155.2 | 78.8 | 168.1 | 0 | 112.7 | Y8 L89 M90 L91 G97 | Y8-K93 PolarHBondContact OH-NZ 3.39Å; L89-K93 PolarHBondContact O-N 2.92Å; L89-K93 VanDerWaalsContact O-N 3.08Å; M90-K93 PolarHBondContact O-N 3.33Å; L91-K93 PolarHBondContact O-N 2.89Å; K93-G97 PolarHBondContact O-N 3.46Å |
| 94 | I | 63.6 | Low | 55.4 | Low | 94 Ų | 94 | 116.6 Ų | 116.6 | 48% | 0.482 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.6 | -43.8 | -179.8 | -67.5 | 162.6 | 0 | 0 | 0 | 110.4 | M90 L91 T92 G97 M98 | M90-I94 WeakPolarHBondContact O-CD1 3.43Å; M90-I94 VanDerWaalsContact O-CG1 3.25Å; M90-I94 WeakPolarHBondContact O-CG1 3.31Å; M90-I94 PolarHBondContact O-N 3.07Å; L91-I94 PolarHBondContact O-N 3.15Å; T92-I94 PolarHBondContact O-N 3.01Å; I94-G97 PolarHBondContact O-N 3.47Å; I94-M98 WeakPolarHBondContact O-CB 3.43Å; I94-M98 PolarHBondContact O-N 3.49Å |
| 95 | I | 66.8 | Low | 54.7 | Low | 108 Ų | 108 | 121.8 Ų | 121.8 | 55% | 0.554 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.8 | -46 | 178.3 | -67.7 | 162.1 | 0 | 0 | 0 | 110.6 | L91 T92 G97 M98 L99 | L91-I95 WeakPolarHBondContact O-CB 3.33Å; L91-I95 WeakPolarHBondContact O-CD1 3.23Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.3Å; T92-I95 PolarHBondContact O-N 3.5Å; I95-G97 VanDerWaalsContact C-N 3.35Å; I95-G97 PolarHBondContact O-N 3.3Å; I95-M98 PolarHBondContact O-N 3.41Å; I95-L99 WeakPolarHBondContact O-CB 3.36Å; I95-L99 PolarHBondContact O-N 3.33Å |
| 96 | F | 57.2 | Low | 53.1 | Low | 148 Ų | 148 | 124.8 Ų | 124.8 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.5 | -38.4 | 175.8 | -120.2 | -96.1 | 0 | 0 | 0 | 112.2 | T92 L99 K100 | T92-F96 WeakPolarHBondContact O-CB 3.25Å; T92-F96 PolarHBondContact O-N 2.87Å; F96-L99 PolarHBondContact O-N 2.92Å; F96-K100 VanDerWaalsContact O-CB 3.22Å; F96-K100 WeakPolarHBondContact O-CB 3.3Å; F96-K100 PolarHBondContact O-N 3.42Å |
| 97 | G | 58.2 | Low | 52.9 | Low | 34 Ų | 34 | 128.1 Ų | 128.1 | 35% | 0.351 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.3 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K93 I94 I95 K100 S101 | K93-G97 PolarHBondContact O-N 3.46Å; I94-G97 PolarHBondContact O-N 3.47Å; I95-G97 VanDerWaalsContact C-N 3.35Å; I95-G97 PolarHBondContact O-N 3.3Å; G97-K100 PolarHBondContact O-N 2.84Å; G97-S101 WeakPolarHBondContact O-CB 3.22Å; G97-S101 PolarHBondContact O-N 3.48Å; G97-S101 PolarHBondContact O-OG 2.89Å |
| 98 | M | 48.9 | Very low | 53 | Low | 132 Ų | 132 | 131.3 Ų | 131.3 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.8 | -42.6 | 174.4 | -93.3 | -164.3 | 179.8 | 0 | 0 | 112.2 | I94 I95 K100 S101 R102 | I94-M98 WeakPolarHBondContact O-CB 3.43Å; I94-M98 PolarHBondContact O-N 3.49Å; I95-M98 PolarHBondContact O-N 3.41Å; M98-K100 VanDerWaalsContact C-N 3.26Å; M98-K100 PolarHBondContact O-N 3.42Å; M98-S101 PolarHBondContact O-N 3.49Å; M98-R102 VanDerWaalsContact O-CG 3.3Å; M98-R102 WeakPolarHBondContact O-CG 3.35Å; M98-R102 PolarHBondContact O-N 3.09Å |
| 99 | L | 55.5 | Low | 52.3 | Low | 125 Ų | 125 | 133.4 Ų | 133.4 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.5 | -36.7 | 177.5 | -159.7 | 76.8 | 0 | 0 | 0 | 110.9 | I95 F96 | I95-L99 WeakPolarHBondContact O-CB 3.36Å; I95-L99 PolarHBondContact O-N 3.33Å; F96-L99 PolarHBondContact O-N 2.92Å |
| 100 | K | 49 | Very low | 51.6 | Low | 159 Ų | 159 | 134.4 Ų | 134.4 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.5 | -37.1 | 175.2 | -167.8 | 170.6 | -175 | -175.9 | 0 | 112.9 | F96 G97 M98 R102 | F96-K100 VanDerWaalsContact O-CB 3.22Å; F96-K100 WeakPolarHBondContact O-CB 3.3Å; F96-K100 PolarHBondContact O-N 3.42Å; G97-K100 PolarHBondContact O-N 2.84Å; M98-K100 VanDerWaalsContact C-N 3.26Å; M98-K100 PolarHBondContact O-N 3.42Å; K100-R102 VanDerWaalsContact C-N 3.31Å; K100-R102 PolarHBondContact O-N 2.92Å |
| 101 | S | 41.2 | Very low | 51.1 | Low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.2 | -14.2 | 176.2 | -77.2 | 0 | 0 | 0 | 0 | 114.2 | G97 M98 Q103 | G97-S101 WeakPolarHBondContact O-CB 3.22Å; G97-S101 PolarHBondContact O-N 3.48Å; G97-S101 PolarHBondContact O-OG 2.89Å; M98-S101 PolarHBondContact O-N 3.49Å; S101-Q103 VanDerWaalsContact C-N 3.34Å |
| 102 | R | 39 | Very low | 50.6 | Low | 209 Ų | 209 | 136.9 Ų | 136.9 | 79% | 0.789 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -6.3 | 175.3 | -78 | -73.2 | -170.9 | 178.3 | 2.1 | 114.6 | M98 K100 | M98-R102 VanDerWaalsContact O-CG 3.3Å; M98-R102 WeakPolarHBondContact O-CG 3.35Å; M98-R102 PolarHBondContact O-N 3.09Å; K100-R102 VanDerWaalsContact C-N 3.31Å; K100-R102 PolarHBondContact O-N 2.92Å |
| 103 | Q | 48.8 | Very low | 49.6 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 7.2 | 179.3 | -87.9 | -78.1 | -65.2 | 0 | 0 | 114.6 | S101 | S101-Q103 VanDerWaalsContact C-N 3.34Š|
| 104 | H | 39.1 | Very low | 48.9 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -128.8 | 39.7 | 174.9 | -148.3 | -102.4 | 0 | 0 | 0 | 113.1 | ||
| 105 | K | 36 | Very low | 47.7 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -154.7 | 72.1 | 153.6 | -165.4 | 166 | -171.5 | -77.1 | 0 | 110.1 | ||||
| 106 | S | 32.4 | Very low | 45.9 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 100% | 1.315 | 75% | 0.752 | S | S | * | * | -169.2 | 0 | 128.9 | -165.2 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 106 of 106 residues in 110.2 ms
(Link to these results)