| 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 | 83.8 | Confident | 93.6 | Very high | 112 Ų | 112 | 58.2 Ų | 58.2 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | 0 | 140.9 | 0 | -175.2 | 178.4 | -174.5 | 0 | 0 | 108.8 | L6 Y23 | M1-L6 VanDerWaalsContact CE-CA 3.42Å; M1-L6 HydrophobicContact CE-CB 3.58Å; M1-L6 HydrophobicContact CE-CD1 4.39Å; M1-L6 HydrophobicContact CE-CG 4.24Å; M1-L6 HydrophobicContact CG-CB 4.45Å; M1-L6 HydrophobicContact SD-CB 3.95Å; M1-L6 HydrophobicContact SD-CD1 3.9Å; M1-L6 HydrophobicContact SD-CG 4.38Å; M1-Y23 HydrophobicContact CE-CD1 4.46Å; M1-Y23 HydrophobicContact CE-CE1 3.7Å; M1-Y23 HydrophobicContact CE-CE2 4.22Å; M1-Y23 HydrophobicContact SD-CD1 4.14Å; M1-Y23 HydrophobicContact SD-CE1 3.94Å | |||
| 2 | K | 91 | Very high | 93.8 | Very high | 166 Ų | 166 | 68 Ų | 68 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | trans | -79.8 | 140.2 | 176 | -69.8 | -173.8 | 178.4 | -178.3 | 0 | 110.6 | S4 A5 L6 | K2-S4 VanDerWaalsContact C-N 3.34Å; K2-S4 PolarHBondContact O-N 3.05Å; K2-A5 PolarHBondContact O-N 2.84Å; K2-L6 PolarHBondContact O-N 3.49Å; K2-L6 VanDerWaalsContact O-N 3.15Å | ||
| 3 | F | 92.9 | Very high | 93.9 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 179.5 | 179 | -96.7 | 0 | 0 | 0 | 112.5 | A5 L6 F7 F33 C36 E38 I39 L42 | F3-A5 VanDerWaalsContact C-N 3.31Å; F3-A5 PolarHBondContact O-N 2.79Å; F3-L6 WeakPolarHBondContact O-CB 3.32Å; F3-L6 PolarHBondContact O-N 3.07Å; F3-L6 VanDerWaalsContact O-N 3.09Å; F3-F7 HydrophobicContact CE1-CB 4.13Å; F3-F7 AromaticContact CE1-CD1 3.89Å; F3-F7 HydrophobicContact CE1-CD1 3.89Å; F3-F7 HydrophobicContact CE1-CG 4.34Å; F3-F7 HydrophobicContact CZ-CB 4.38Å; F3-F7 HydrophobicContact CZ-CD1 4.25Å; F3-F7 HydrophobicContact CZ-CG 4.47Å; F3-F7 PolarHBondContact O-N 3.19Å; F3-F33 HydrophobicContact CB-CD1 3.74Å; F3-F33 HydrophobicContact CB-CE1 3.93Å; F3-F33 HydrophobicContact CD2-CB 3.69Å; F3-F33 AromaticContact CD2-CD1 3.64Å; F3-F33 HydrophobicContact CD2-CD1 3.64Å; F3-F33 HydrophobicContact CD2-CE1 4.4Å; F3-F33 AromaticContact CD2-CG 3.71Å; F3-F33 HydrophobicContact CD2-CG 3.71Å; F3-F33 HydrophobicContact CE2-CB 4.06Å; F3-F33 HydrophobicContact CE2-CG 4.46Å; F3-F33 HydrophobicContact CG-CD1 4.17Å; F3-C36 HydrophobicContact CD1-CB 4.32Å; F3-C36 HydrophobicContact CD2-CB 4.21Å; F3-C36 HydrophobicContact CE2-CB 4.47Å; F3-C36 HydrophobicContact CG-CB 4.11Å; F3-E38 HydrophobicContact CD1-CB 4.27Å; F3-E38 HydrophobicContact CE1-CB 3.48Å; F3-E38 VanDerWaalsContact CE1-CB 3.48Å; F3-E38 HydrophobicContact CZ-CB 4.17Å; F3-I39 HydrophobicContact CE2-CD1 4.07Å; F3-L42 HydrophobicContact CE2-CB 4.44Å; F3-L42 HydrophobicContact CE2-CD2 3.72Å; F3-L42 HydrophobicContact CZ-CB 3.97Å; F3-L42 HydrophobicContact CZ-CD2 4.08Å |
| 4 | S | 93.5 | Very high | 93.8 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | -178.8 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | K2 A8 | K2-S4 VanDerWaalsContact C-N 3.34Å; K2-S4 PolarHBondContact O-N 3.05Å; S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.38Å; S4-A8 PolarHBondContact O-N 3.35Å |
| 5 | A | 94.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K2 F3 A8 N9 | K2-A5 PolarHBondContact O-N 2.84Å; F3-A5 VanDerWaalsContact C-N 3.31Å; F3-A5 PolarHBondContact O-N 2.79Å; A5-A8 PolarHBondContact O-N 3.32Å; A5-N9 PolarHBondContact O-N 3.48Å; A5-N9 PolarHBondContact O-ND2 2.89Å |
| 6 | L | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.2 | 177.7 | 144.4 | 0 | 0 | 0 | 111.1 | M1 K2 F3 A8 N9 I10 Y23 V28 L30 F33 L42 | M1-L6 VanDerWaalsContact CE-CA 3.42Å; M1-L6 HydrophobicContact CE-CB 3.58Å; M1-L6 HydrophobicContact CE-CD1 4.39Å; M1-L6 HydrophobicContact CE-CG 4.24Å; M1-L6 HydrophobicContact CG-CB 4.45Å; M1-L6 HydrophobicContact SD-CB 3.95Å; M1-L6 HydrophobicContact SD-CD1 3.9Å; M1-L6 HydrophobicContact SD-CG 4.38Å; K2-L6 PolarHBondContact O-N 3.49Å; K2-L6 VanDerWaalsContact O-N 3.15Å; F3-L6 WeakPolarHBondContact O-CB 3.32Å; F3-L6 PolarHBondContact O-N 3.07Å; F3-L6 VanDerWaalsContact O-N 3.09Å; L6-A8 PolarHBondContact O-N 3.24Å; L6-N9 PolarHBondContact O-N 3.02Å; L6-I10 HydrophobicContact CD2-CD1 3.44Å; L6-I10 VanDerWaalsContact CD2-CD1 3.44Å; L6-I10 HydrophobicContact CD2-CG1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 3.1Å; L6-Y23 HydrophobicContact CD1-CD2 3.83Å; L6-Y23 HydrophobicContact CD1-CE2 4.1Å; L6-Y23 HydrophobicContact CD1-CG 4.37Å; L6-Y23 HydrophobicContact CG-CD2 4.15Å; L6-Y23 HydrophobicContact CG-CE2 3.95Å; L6-V28 HydrophobicContact CD1-CG1 4.5Å; L6-L30 HydrophobicContact CD1-CD2 3.77Å; L6-F33 HydrophobicContact CD1-CD2 4.34Å; L6-F33 HydrophobicContact CD1-CE2 3.66Å; L6-F33 HydrophobicContact CD1-CZ 4.19Å; L6-L42 HydrophobicContact CD2-CD2 4.03Å |
| 7 | F | 95.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | -178.8 | -169.1 | -168 | 0 | 0 | 0 | 111.5 | F3 N9 I10 K11 L42 F45 | F3-F7 HydrophobicContact CE1-CB 4.13Å; F3-F7 AromaticContact CE1-CD1 3.89Å; F3-F7 HydrophobicContact CE1-CD1 3.89Å; F3-F7 HydrophobicContact CE1-CG 4.34Å; F3-F7 HydrophobicContact CZ-CB 4.38Å; F3-F7 HydrophobicContact CZ-CD1 4.25Å; F3-F7 HydrophobicContact CZ-CG 4.47Å; F3-F7 PolarHBondContact O-N 3.19Å; F7-N9 VanDerWaalsContact C-N 3.31Å; F7-N9 PolarHBondContact O-N 3.49Å; F7-I10 PolarHBondContact O-N 3.49Å; F7-K11 HydrophobicContact CD2-CD 4.21Å; F7-K11 HydrophobicContact CD2-CG 3.82Å; F7-K11 VanDerWaalsContact CE1-CE 3.49Å; F7-K11 HydrophobicContact CE2-CD 3.99Å; F7-K11 HydrophobicContact CE2-CG 3.71Å; F7-K11 HydrophobicContact CZ-CD 4.32Å; F7-K11 WeakPolarHBondContact O-CG 3.32Å; F7-K11 PolarHBondContact O-N 2.81Å; F7-L42 HydrophobicContact CD2-CB 4.12Å; F7-L42 HydrophobicContact CD2-CD1 3.47Å; F7-L42 VanDerWaalsContact CD2-CD1 3.47Å; F7-L42 HydrophobicContact CD2-CG 4.36Å; F7-L42 HydrophobicContact CE1-CB 4.5Å; F7-L42 HydrophobicContact CE2-CB 3.9Å; F7-L42 HydrophobicContact CE2-CD1 3.67Å; F7-L42 HydrophobicContact CE2-CG 4.42Å; F7-L42 HydrophobicContact CG-CB 4.49Å; F7-L42 HydrophobicContact CG-CD1 4.32Å; F7-L42 HydrophobicContact CZ-CB 4.08Å; F7-F45 HydrophobicContact CE2-CB 4.34Å; F7-F45 HydrophobicContact CE2-CD1 4.45Å; F7-F45 HydrophobicContact CE2-CG 4.47Å |
| 8 | A | 96.2 | Very high | 93.8 | Very high | 39 Ų | 39 | 69.1 Ų | 69.1 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S4 A5 L6 K12 | S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.38Å; S4-A8 PolarHBondContact O-N 3.35Å; A5-A8 PolarHBondContact O-N 3.32Å; L6-A8 PolarHBondContact O-N 3.24Å; A8-K12 VanDerWaalsContact O-CG 3.3Å; A8-K12 WeakPolarHBondContact O-CG 3.42Å; A8-K12 PolarHBondContact O-N 3.45Å |
| 9 | N | 96.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 177.1 | -68.6 | -17.2 | 0 | 0 | 0 | 112 | A5 L6 F7 K12 S13 L19 Y23 | A5-N9 PolarHBondContact O-N 3.48Å; A5-N9 PolarHBondContact O-ND2 2.89Å; L6-N9 PolarHBondContact O-N 3.02Å; F7-N9 VanDerWaalsContact C-N 3.31Å; F7-N9 PolarHBondContact O-N 3.49Å; N9-K12 PolarHBondContact O-N 3.23Å; N9-S13 PolarHBondContact O-N 3.32Å; N9-S13 VanDerWaalsContact O-N 3.1Å; N9-L19 HydrophobicContact CB-CD2 4.18Å; N9-Y23 WeakPolarHBondContact CB-OH 3.31Å; N9-Y23 PolarHBondContact ND2-OH 3.05Å; N9-Y23 VanDerWaalsContact ND2-OH 3.13Å |
| 10 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.3 | -71.4 | 176.3 | 0 | 0 | 0 | 111.1 | L6 F7 K12 S13 P16 L19 L20 Y23 L42 F45 L46 | L6-I10 HydrophobicContact CD2-CD1 3.44Å; L6-I10 VanDerWaalsContact CD2-CD1 3.44Å; L6-I10 HydrophobicContact CD2-CG1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4Å; L6-I10 WeakPolarHBondContact O-CG1 3.39Å; L6-I10 PolarHBondContact O-N 3.1Å; F7-I10 PolarHBondContact O-N 3.49Å; I10-K12 PolarHBondContact O-N 3.5Å; I10-S13 PolarHBondContact O-N 2.87Å; I10-P16 HydrophobicContact CG2-CB 4.06Å; I10-L19 HydrophobicContact CG1-CD2 4.24Å; I10-L20 HydrophobicContact CD1-CD2 3.49Å; I10-L20 VanDerWaalsContact CD1-CD2 3.49Å; I10-L20 HydrophobicContact CD1-CG 3.85Å; I10-Y23 HydrophobicContact CG1-CE2 4.27Å; I10-L42 HydrophobicContact CB-CD1 4.37Å; I10-L42 HydrophobicContact CD1-CD1 3.86Å; I10-L42 HydrophobicContact CG2-CD1 3.91Å; I10-F45 HydrophobicContact CG2-CD1 4.31Å; I10-F45 HydrophobicContact CG2-CE1 4.03Å; I10-L46 HydrophobicContact CG2-CD2 3.78Å; I10-L46 HydrophobicContact CG2-CG 4.43Å |
| 11 | K | 95 | Very high | 93.9 | Very high | 112 Ų | 112 | 65.9 Ų | 65.9 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -32.9 | 178.3 | -76.3 | -172.2 | -174.6 | -177.5 | 0 | 113.2 | F7 F45 | F7-K11 HydrophobicContact CD2-CD 4.21Å; F7-K11 HydrophobicContact CD2-CG 3.82Å; F7-K11 VanDerWaalsContact CE1-CE 3.49Å; F7-K11 HydrophobicContact CE2-CD 3.99Å; F7-K11 HydrophobicContact CE2-CG 3.71Å; F7-K11 HydrophobicContact CZ-CD 4.32Å; F7-K11 WeakPolarHBondContact O-CG 3.32Å; F7-K11 PolarHBondContact O-N 2.81Å; K11-F45 HydrophobicContact CB-CZ 4.32Å; K11-F45 HydrophobicContact CG-CD1 4.47Å; K11-F45 HydrophobicContact CG-CE1 4.25Å; K11-F45 HydrophobicContact CG-CE2 4.27Å; K11-F45 HydrophobicContact CG-CZ 4.15Å |
| 12 | K | 95.5 | Very high | 94.4 | Very high | 176 Ų | 176 | 62.6 Ų | 62.6 | 77% | 0.765 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -85.4 | -13.1 | -179.8 | -69.1 | 175.3 | -176.6 | -178.6 | 0 | 113.4 | A8 N9 I10 | A8-K12 VanDerWaalsContact O-CG 3.3Å; A8-K12 WeakPolarHBondContact O-CG 3.42Å; A8-K12 PolarHBondContact O-N 3.45Å; N9-K12 PolarHBondContact O-N 3.23Å; I10-K12 PolarHBondContact O-N 3.5Å |
| 13 | S | 94.9 | Very high | 94.7 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | trans | -78.7 | 136.2 | -177.1 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | N9 I10 C15 | N9-S13 PolarHBondContact O-N 3.32Å; N9-S13 VanDerWaalsContact O-N 3.1Å; I10-S13 PolarHBondContact O-N 2.87Å; S13-C15 VanDerWaalsContact C-N 3.27Å; S13-C15 PolarHBondContact OG-N 3.18Å; S13-C15 PolarHBondContact OG-O 2.88Å | ||
| 14 | E | 92.6 | Very high | 94.8 | Very high | 193 Ų | 193 | 58 Ų | 58 | 90% | 0.902 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -70.5 | -26.3 | 169.3 | -64.1 | -175.7 | 168 | 0 | 0 | 112.3 | P16 | E14-P16 VanDerWaalsContact C-CD 3.45Å; E14-P16 WeakPolarHBondContact O-CD 3.33Å |
| 15 | C | 93.2 | Very high | 94.9 | Very high | 76 Ų | 76 | 61 Ų | 61 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -123.6 | 70 | 179.5 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | S13 L17 S18 L19 | S13-C15 VanDerWaalsContact C-N 3.27Å; S13-C15 PolarHBondContact OG-N 3.18Å; S13-C15 PolarHBondContact OG-O 2.88Å; C15-L17 VanDerWaalsContact C-N 3.28Å; C15-L17 PolarHBondContact O-N 2.92Å; C15-L17 VanDerWaalsContact O-N 3.16Å; C15-S18 PolarHBondContact O-N 2.8Å; C15-L19 PolarHBondContact O-N 2.87Å; C15-L19 VanDerWaalsContact O-N 3.16Å |
| 16 | P | 94.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 65 Ų | 65 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.9 | -39.8 | -175.3 | -30.7 | 37.4 | 0 | 0 | 0 | 114.8 | I10 E14 L19 L20 L46 | I10-P16 HydrophobicContact CG2-CB 4.06Å; E14-P16 VanDerWaalsContact C-CD 3.45Å; E14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-L19 PolarHBondContact O-N 3.26Å; P16-L20 WeakPolarHBondContact O-CG 3.43Å; P16-L20 PolarHBondContact O-N 3.41Å; P16-L46 HydrophobicContact CB-CD2 3.6Å |
| 17 | L | 93.9 | Very high | 94.9 | Very high | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.5 | -36.7 | -179.9 | -63.1 | 176.2 | 0 | 0 | 0 | 112.6 | C15 L20 K21 T50 G54 I57 L58 | C15-L17 VanDerWaalsContact C-N 3.28Å; C15-L17 PolarHBondContact O-N 2.92Å; C15-L17 VanDerWaalsContact O-N 3.16Å; L17-L20 HydrophobicContact CD2-CD1 4.32Å; L17-L20 PolarHBondContact O-N 3.37Å; L17-K21 WeakPolarHBondContact O-CG 3.33Å; L17-K21 PolarHBondContact O-N 3.44Å; L17-T50 HydrophobicContact CD1-CG2 3.63Å; L17-T50 HydrophobicContact CD2-CG2 4.05Å; L17-T50 HydrophobicContact CG-CG2 3.67Å; L17-G54 VanDerWaalsContact CD1-CA 3.44Å; L17-I57 HydrophobicContact CD1-CD1 4.25Å; L17-L58 HydrophobicContact CD2-CD2 3.64Å; L17-L58 HydrophobicContact CD2-CG 4.17Å |
| 18 | S | 93.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 69.1 Ų | 69.1 | 54% | 0.538 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | C15 K21 S22 | C15-S18 PolarHBondContact O-N 2.8Å; S18-K21 PolarHBondContact O-N 3.19Å; S18-S22 PolarHBondContact O-N 2.96Å |
| 19 | L | 95 | Very high | 94.8 | Very high | 39 Ų | 39 | 69.3 Ų | 69.3 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67 | -38.7 | 174.7 | -178.2 | 61.2 | 0 | 0 | 0 | 112.3 | N9 I10 C15 P16 K21 S22 Y23 | N9-L19 HydrophobicContact CB-CD2 4.18Å; I10-L19 HydrophobicContact CG1-CD2 4.24Å; C15-L19 PolarHBondContact O-N 2.87Å; C15-L19 VanDerWaalsContact O-N 3.16Å; P16-L19 PolarHBondContact O-N 3.26Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.94Å; L19-S22 PolarHBondContact O-N 3.38Å; L19-S22 PolarHBondContact O-OG 3.1Å; L19-Y23 HydrophobicContact CD1-CE1 4.27Å; L19-Y23 HydrophobicContact CD1-CE2 4.01Å; L19-Y23 HydrophobicContact CD2-CE2 4.16Å; L19-Y23 HydrophobicContact CG-CD2 4.31Å; L19-Y23 HydrophobicContact CG-CE2 3.7Å; L19-Y23 WeakPolarHBondContact O-CD2 3.41Å; L19-Y23 PolarHBondContact O-N 2.89Å |
| 20 | L | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 172 | -82.1 | 165 | 0 | 0 | 0 | 111.7 | I10 P16 L17 S22 Y23 V24 L30 L46 L58 | I10-L20 HydrophobicContact CD1-CD2 3.49Å; I10-L20 VanDerWaalsContact CD1-CD2 3.49Å; I10-L20 HydrophobicContact CD1-CG 3.85Å; P16-L20 WeakPolarHBondContact O-CG 3.43Å; P16-L20 PolarHBondContact O-N 3.41Å; L17-L20 HydrophobicContact CD2-CD1 4.32Å; L17-L20 PolarHBondContact O-N 3.37Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 3.41Å; L20-Y23 PolarHBondContact O-N 3.16Å; L20-V24 WeakPolarHBondContact O-CG2 3.46Å; L20-V24 PolarHBondContact O-N 3.29Å; L20-V24 VanDerWaalsContact O-N 3.07Å; L20-L30 HydrophobicContact CD2-CD1 3.59Å; L20-L30 HydrophobicContact CD2-CD2 4.24Å; L20-L46 HydrophobicContact CD1-CD1 3.61Å; L20-L46 HydrophobicContact CD1-CD2 3.61Å; L20-L46 HydrophobicContact CD1-CG 4.25Å; L20-L58 HydrophobicContact CD1-CD2 3.74Å |
| 21 | K | 94.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 72.5 Ų | 72.5 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 175.8 | -75 | 178.2 | 177.3 | -179.7 | 0 | 112.1 | L17 S18 L19 Y23 V24 N25 I57 | L17-K21 WeakPolarHBondContact O-CG 3.33Å; L17-K21 PolarHBondContact O-N 3.44Å; S18-K21 PolarHBondContact O-N 3.19Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-K21 PolarHBondContact O-N 2.94Å; K21-Y23 VanDerWaalsContact C-N 3.35Å; K21-V24 PolarHBondContact O-N 3.26Å; K21-N25 WeakPolarHBondContact O-CB 3.43Å; K21-N25 PolarHBondContact O-N 3.5Å; K21-N25 PolarHBondContact O-ND2 3.14Å; K21-N25 PolarHBondContact O-OD1 3.36Å; K21-I57 VanDerWaalsContact CE-CD1 3.46Å; K21-I57 HydrophobicContact CG-CG2 4.12Å |
| 22 | S | 95.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 72.1 Ų | 72.1 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.8 | 72.8 | 0 | 0 | 0 | 0 | 111.5 | S18 L19 L20 V24 N25 D26 | S18-S22 PolarHBondContact O-N 2.96Å; L19-S22 PolarHBondContact O-N 3.38Å; L19-S22 PolarHBondContact O-OG 3.1Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 3.41Å; S22-V24 VanDerWaalsContact C-N 3.34Å; S22-V24 PolarHBondContact O-N 3Å; S22-N25 PolarHBondContact O-N 2.94Å; S22-D26 WeakPolarHBondContact O-CB 3.37Å; S22-D26 PolarHBondContact O-N 3.37Å |
| 23 | Y | 95.5 | Very high | 94.8 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 174.2 | -69.1 | -40.1 | 0 | 0 | 0 | 112.8 | M1 L6 N9 I10 L19 L20 K21 N25 D26 G27 V28 | M1-Y23 HydrophobicContact CE-CD1 4.46Å; M1-Y23 HydrophobicContact CE-CE1 3.7Å; M1-Y23 HydrophobicContact CE-CE2 4.22Å; M1-Y23 HydrophobicContact SD-CD1 4.14Å; M1-Y23 HydrophobicContact SD-CE1 3.94Å; L6-Y23 HydrophobicContact CD1-CD2 3.83Å; L6-Y23 HydrophobicContact CD1-CE2 4.1Å; L6-Y23 HydrophobicContact CD1-CG 4.37Å; L6-Y23 HydrophobicContact CG-CD2 4.15Å; L6-Y23 HydrophobicContact CG-CE2 3.95Å; N9-Y23 WeakPolarHBondContact CB-OH 3.31Å; N9-Y23 PolarHBondContact ND2-OH 3.05Å; N9-Y23 VanDerWaalsContact ND2-OH 3.13Å; I10-Y23 HydrophobicContact CG1-CE2 4.27Å; L19-Y23 HydrophobicContact CD1-CE1 4.27Å; L19-Y23 HydrophobicContact CD1-CE2 4.01Å; L19-Y23 HydrophobicContact CD2-CE2 4.16Å; L19-Y23 HydrophobicContact CG-CD2 4.31Å; L19-Y23 HydrophobicContact CG-CE2 3.7Å; L19-Y23 WeakPolarHBondContact O-CD2 3.41Å; L19-Y23 PolarHBondContact O-N 2.89Å; L20-Y23 PolarHBondContact O-N 3.16Å; K21-Y23 VanDerWaalsContact C-N 3.35Å; Y23-N25 VanDerWaalsContact C-N 3.33Å; Y23-N25 PolarHBondContact O-N 3.48Å; Y23-D26 CarbonylContact O-C 3.56Å; Y23-D26 PolarHBondContact O-N 3.4Å; Y23-G27 PolarHBondContact O-N 3.25Å; Y23-V28 WeakPolarHBondContact O-CB 3.49Å; Y23-V28 VanDerWaalsContact O-CG2 3.31Å; Y23-V28 WeakPolarHBondContact O-CG2 3.32Å; Y23-V28 PolarHBondContact O-N 2.92Å |
| 24 | V | 95 | Very high | 94.8 | Very high | 61 Ų | 61 | 65.4 Ų | 65.4 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 111 | L20 K21 S22 D26 G27 L30 | L20-V24 WeakPolarHBondContact O-CG2 3.46Å; L20-V24 PolarHBondContact O-N 3.29Å; L20-V24 VanDerWaalsContact O-N 3.07Å; K21-V24 PolarHBondContact O-N 3.26Å; S22-V24 VanDerWaalsContact C-N 3.34Å; S22-V24 PolarHBondContact O-N 3Å; V24-D26 VanDerWaalsContact C-N 3.27Å; V24-D26 PolarHBondContact O-N 3.29Å; V24-G27 PolarHBondContact O-N 3.37Å; V24-L30 HydrophobicContact CG2-CD1 3.47Å; V24-L30 VanDerWaalsContact CG2-CD1 3.47Å; V24-L30 HydrophobicContact CG2-CG 3.91Å |
| 25 | N | 95.6 | Very high | 94.9 | Very high | 135 Ų | 135 | 65.9 Ų | 65.9 | 72% | 0.722 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -32.3 | 177.2 | -67.1 | -16.7 | 0 | 0 | 0 | 112.6 | K21 S22 Y23 G27 | K21-N25 WeakPolarHBondContact O-CB 3.43Å; K21-N25 PolarHBondContact O-N 3.5Å; K21-N25 PolarHBondContact O-ND2 3.14Å; K21-N25 PolarHBondContact O-OD1 3.36Å; S22-N25 PolarHBondContact O-N 2.94Å; Y23-N25 VanDerWaalsContact C-N 3.33Å; Y23-N25 PolarHBondContact O-N 3.48Å; N25-G27 PolarHBondContact O-N 3.35Å |
| 26 | D | 95.4 | Very high | 95 | Very high | 126 Ų | 126 | 64.1 Ų | 64.1 | 67% | 0.674 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 5.9 | 173.9 | -63.4 | -22.4 | 0 | 0 | 0 | 112.7 | S22 Y23 V24 | S22-D26 WeakPolarHBondContact O-CB 3.37Å; S22-D26 PolarHBondContact O-N 3.37Å; Y23-D26 CarbonylContact O-C 3.56Å; Y23-D26 PolarHBondContact O-N 3.4Å; V24-D26 VanDerWaalsContact C-N 3.27Å; V24-D26 PolarHBondContact O-N 3.29Å |
| 27 | G | 94.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 72 Ų | 72 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 13.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y23 V24 N25 A29 | Y23-G27 PolarHBondContact O-N 3.25Å; V24-G27 PolarHBondContact O-N 3.37Å; N25-G27 PolarHBondContact O-N 3.35Å; G27-A29 PolarHBondContact O-N 3.38Å |
| 28 | V | 94.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 74.8 Ų | 74.8 | 19% | 0.194 | 40% | 0.404 | C | S | . | . | trans | -75.6 | 115.5 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | L6 Y23 L30 F33 | L6-V28 HydrophobicContact CD1-CG1 4.5Å; Y23-V28 WeakPolarHBondContact O-CB 3.49Å; Y23-V28 VanDerWaalsContact O-CG2 3.31Å; Y23-V28 WeakPolarHBondContact O-CG2 3.32Å; Y23-V28 PolarHBondContact O-N 2.92Å; V28-L30 HydrophobicContact CG1-CD2 4.14Å; V28-L30 PolarHBondContact O-N 3.02Å; V28-L30 VanDerWaalsContact O-N 3.08Å; V28-F33 HydrophobicContact CG1-CE2 3.84Å; V28-F33 HydrophobicContact CG1-CZ 4.36Å | ||
| 29 | A | 94.4 | Very high | 94.9 | Very high | 42 Ų | 42 | 71.6 Ų | 71.6 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | trans | -77 | 90.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G27 K31 D32 | G27-A29 PolarHBondContact O-N 3.38Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 2.87Å; A29-D32 WeakPolarHBondContact CB-OD2 3.4Å; A29-D32 WeakPolarHBondContact O-CB 3.5Å; A29-D32 PolarHBondContact O-N 3.27Å | ||
| 30 | L | 95.4 | Very high | 95 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -60.9 | -31.3 | -175.3 | -67.9 | 178.9 | 0 | 0 | 0 | 114.1 | L6 L20 V24 V28 D32 F33 C61 L63 | L6-L30 HydrophobicContact CD1-CD2 3.77Å; L20-L30 HydrophobicContact CD2-CD1 3.59Å; L20-L30 HydrophobicContact CD2-CD2 4.24Å; V24-L30 HydrophobicContact CG2-CD1 3.47Å; V24-L30 VanDerWaalsContact CG2-CD1 3.47Å; V24-L30 HydrophobicContact CG2-CG 3.91Å; V28-L30 HydrophobicContact CG1-CD2 4.14Å; V28-L30 PolarHBondContact O-N 3.02Å; V28-L30 VanDerWaalsContact O-N 3.08Å; L30-D32 PolarHBondContact O-N 3.1Å; L30-D32 VanDerWaalsContact O-N 3.16Å; L30-F33 HydrophobicContact CD2-CD2 4.14Å; L30-F33 HydrophobicContact CD2-CE2 4.12Å; L30-F33 WeakPolarHBondContact O-CB 3.22Å; L30-F33 WeakPolarHBondContact O-CD2 3.45Å; L30-F33 PolarHBondContact O-N 3.19Å; L30-C61 HydrophobicContact CB-CB 4.41Å; L30-C61 HydrophobicContact CD1-CB 3.69Å; L30-L63 HydrophobicContact CB-CD2 4.11Å |
| 31 | K | 96 | Very high | 95.2 | Very high | 134 Ų | 134 | 70 Ų | 70 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -56.3 | -26.6 | 173.9 | 68.6 | 180 | -177.2 | 178.1 | 0 | 114.1 | A29 F33 N34 G62 | A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 2.87Å; K31-F33 PolarHBondContact O-N 3.41Å; K31-N34 WeakPolarHBondContact O-CB 3.37Å; K31-N34 PolarHBondContact O-N 2.79Å; K31-N34 VanDerWaalsContact O-N 3.09Å; K31-N34 PolarHBondContact O-ND2 3.1Å; K31-G62 WeakPolarHBondContact CA-O 3.38Å; K31-G62 WeakPolarHBondContact CB-O 3.19Å |
| 32 | D | 95.2 | Very high | 95.3 | Very high | 104 Ų | 104 | 65.2 Ų | 65.2 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -67.9 | -20.9 | -179.4 | -65 | -11.6 | 0 | 0 | 0 | 111.3 | A29 L30 N34 | A29-D32 WeakPolarHBondContact CB-OD2 3.4Å; A29-D32 WeakPolarHBondContact O-CB 3.5Å; A29-D32 PolarHBondContact O-N 3.27Å; L30-D32 PolarHBondContact O-N 3.1Å; L30-D32 VanDerWaalsContact O-N 3.16Å; D32-N34 VanDerWaalsContact C-N 3.32Å |
| 33 | F | 96.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -80 | -7 | 175 | -61.2 | -58.9 | 0 | 0 | 0 | 114.2 | F3 L6 V28 L30 K31 K35 C36 I39 | F3-F33 HydrophobicContact CB-CD1 3.74Å; F3-F33 HydrophobicContact CB-CE1 3.93Å; F3-F33 HydrophobicContact CD2-CB 3.69Å; F3-F33 AromaticContact CD2-CD1 3.64Å; F3-F33 HydrophobicContact CD2-CD1 3.64Å; F3-F33 HydrophobicContact CD2-CE1 4.4Å; F3-F33 AromaticContact CD2-CG 3.71Å; F3-F33 HydrophobicContact CD2-CG 3.71Å; F3-F33 HydrophobicContact CE2-CB 4.06Å; F3-F33 HydrophobicContact CE2-CG 4.46Å; F3-F33 HydrophobicContact CG-CD1 4.17Å; L6-F33 HydrophobicContact CD1-CD2 4.34Å; L6-F33 HydrophobicContact CD1-CE2 3.66Å; L6-F33 HydrophobicContact CD1-CZ 4.19Å; V28-F33 HydrophobicContact CG1-CE2 3.84Å; V28-F33 HydrophobicContact CG1-CZ 4.36Å; L30-F33 HydrophobicContact CD2-CD2 4.14Å; L30-F33 HydrophobicContact CD2-CE2 4.12Å; L30-F33 WeakPolarHBondContact O-CB 3.22Å; L30-F33 WeakPolarHBondContact O-CD2 3.45Å; L30-F33 PolarHBondContact O-N 3.19Å; K31-F33 PolarHBondContact O-N 3.41Å; F33-K35 PolarHBondContact O-N 3.38Å; F33-K35 VanDerWaalsContact O-N 3.08Å; F33-C36 VanDerWaalsContact O-CB 3.25Å; F33-C36 WeakPolarHBondContact O-CB 3.43Å; F33-C36 PolarHBondContact O-N 3.42Å; F33-I39 HydrophobicContact CB-CD1 4.37Å |
| 34 | N | 96.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -62.6 | -17.7 | 177.4 | -67.7 | -16.4 | 0 | 0 | 0 | 113.2 | K31 D32 C36 G62 L63 D64 | K31-N34 WeakPolarHBondContact O-CB 3.37Å; K31-N34 PolarHBondContact O-N 2.79Å; K31-N34 VanDerWaalsContact O-N 3.09Å; K31-N34 PolarHBondContact O-ND2 3.1Å; D32-N34 VanDerWaalsContact C-N 3.32Å; N34-C36 VanDerWaalsContact C-N 3.34Å; N34-G62 PolarHBondContact ND2-O 2.9Å; N34-L63 WeakPolarHBondContact OD1-CA 3.27Å; N34-D64 HydrophobicContact CB-CB 4.1Å; N34-D64 PolarHBondContact ND2-N 3.34Å; N34-D64 PolarHBondContact OD1-N 2.91Å |
| 35 | K | 93.7 | Very high | 95.5 | Very high | 203 Ų | 203 | 61.3 Ų | 61.3 | 88% | 0.883 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -85.5 | -6.1 | 175.3 | -60 | 179.9 | -177.9 | 177.6 | 0 | 113.4 | F33 | F33-K35 PolarHBondContact O-N 3.38Å; F33-K35 VanDerWaalsContact O-N 3.08Å |
| 36 | C | 94.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -78.6 | 132.6 | 178.5 | -63.7 | 0 | 0 | 0 | 0 | 110 | F3 F33 N34 E38 I39 | F3-C36 HydrophobicContact CD1-CB 4.32Å; F3-C36 HydrophobicContact CD2-CB 4.21Å; F3-C36 HydrophobicContact CE2-CB 4.47Å; F3-C36 HydrophobicContact CG-CB 4.11Å; F33-C36 VanDerWaalsContact O-CB 3.25Å; F33-C36 WeakPolarHBondContact O-CB 3.43Å; F33-C36 PolarHBondContact O-N 3.42Å; N34-C36 VanDerWaalsContact C-N 3.34Å; C36-E38 PolarHBondContact O-N 2.87Å; C36-E38 VanDerWaalsContact O-N 3.13Å; C36-I39 VanDerWaalsContact O-CB 3.31Å; C36-I39 WeakPolarHBondContact O-CB 3.26Å; C36-I39 WeakPolarHBondContact O-CG2 3.44Å; C36-I39 PolarHBondContact O-N 3.18Å |
| 37 | E | 91.4 | Very high | 95.6 | Very high | 181 Ų | 181 | 48.9 Ų | 48.9 | 85% | 0.846 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35 | 179.1 | -172.9 | 179.7 | 176.1 | 0 | 0 | 112.9 | I39 | E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 3.43Å |
| 38 | E | 93.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.9 | -178.5 | -67.4 | -174.4 | 122.3 | 0 | 0 | 114.4 | F3 C36 G40 S41 L42 | F3-E38 HydrophobicContact CD1-CB 4.27Å; F3-E38 HydrophobicContact CE1-CB 3.48Å; F3-E38 VanDerWaalsContact CE1-CB 3.48Å; F3-E38 HydrophobicContact CZ-CB 4.17Å; C36-E38 PolarHBondContact O-N 2.87Å; C36-E38 VanDerWaalsContact O-N 3.13Å; E38-G40 VanDerWaalsContact C-N 3.28Å; E38-G40 PolarHBondContact O-N 2.87Å; E38-S41 VanDerWaalsContact O-CB 3.25Å; E38-S41 WeakPolarHBondContact O-CB 3.19Å; E38-S41 PolarHBondContact O-N 3.15Å; E38-S41 PolarHBondContact O-OG 3.46Å; E38-L42 PolarHBondContact O-N 3.3Å |
| 39 | I | 96.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -41.3 | -175.9 | -173.8 | 64 | 0 | 0 | 0 | 112.4 | F3 F33 C36 E37 S41 L42 V43 L63 A67 | F3-I39 HydrophobicContact CE2-CD1 4.07Å; F33-I39 HydrophobicContact CB-CD1 4.37Å; C36-I39 VanDerWaalsContact O-CB 3.31Å; C36-I39 WeakPolarHBondContact O-CB 3.26Å; C36-I39 WeakPolarHBondContact O-CG2 3.44Å; C36-I39 PolarHBondContact O-N 3.18Å; E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 3.43Å; I39-S41 PolarHBondContact O-N 3.25Å; I39-L42 HydrophobicContact CD1-CD2 4.13Å; I39-L42 WeakPolarHBondContact O-CA 3.35Å; I39-L42 WeakPolarHBondContact O-CB 3.29Å; I39-L42 PolarHBondContact O-N 2.91Å; I39-V43 HydrophobicContact CD1-CG1 4.35Å; I39-V43 HydrophobicContact CG1-CG1 4.37Å; I39-V43 PolarHBondContact O-N 2.8Å; I39-L63 HydrophobicContact CD1-CD2 4.02Å; I39-A67 HydrophobicContact CG2-CB 3.8Å |
| 40 | G | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.3 | -36.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E38 L42 V43 C44 S68 | E38-G40 VanDerWaalsContact C-N 3.28Å; E38-G40 PolarHBondContact O-N 2.87Å; G40-L42 PolarHBondContact O-N 3.23Å; G40-V43 WeakPolarHBondContact O-CG2 3.48Å; G40-C44 WeakPolarHBondContact O-CB 3.49Å; G40-C44 PolarHBondContact O-N 3.37Å; G40-C44 PolarHBondContact O-SG 3.39Å; G40-S68 WeakPolarHBondContact CA-O 3.33Å |
| 41 | S | 97.6 | Very high | 95 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 175.6 | -39.2 | 0 | 0 | 0 | 0 | 112.3 | E38 I39 F45 H70 | E38-S41 VanDerWaalsContact O-CB 3.25Å; E38-S41 WeakPolarHBondContact O-CB 3.19Å; E38-S41 PolarHBondContact O-N 3.15Å; E38-S41 PolarHBondContact O-OG 3.46Å; I39-S41 PolarHBondContact O-N 3.25Å; S41-F45 WeakPolarHBondContact O-CB 3.47Å; S41-F45 PolarHBondContact O-N 3.33Å; S41-H70 PolarHBondContact OG-CE1 3.1Å; S41-H70 PolarHBondContact OG-ND1 3.49Å |
| 42 | L | 96.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68 | -50.6 | 178.3 | 171.7 | 65 | 0 | 0 | 0 | 110.9 | F3 L6 F7 I10 E38 I39 G40 F45 L46 | F3-L42 HydrophobicContact CE2-CB 4.44Å; F3-L42 HydrophobicContact CE2-CD2 3.72Å; F3-L42 HydrophobicContact CZ-CB 3.97Å; F3-L42 HydrophobicContact CZ-CD2 4.08Å; L6-L42 HydrophobicContact CD2-CD2 4.03Å; F7-L42 HydrophobicContact CD2-CB 4.12Å; F7-L42 HydrophobicContact CD2-CD1 3.47Å; F7-L42 VanDerWaalsContact CD2-CD1 3.47Å; F7-L42 HydrophobicContact CD2-CG 4.36Å; F7-L42 HydrophobicContact CE1-CB 4.5Å; F7-L42 HydrophobicContact CE2-CB 3.9Å; F7-L42 HydrophobicContact CE2-CD1 3.67Å; F7-L42 HydrophobicContact CE2-CG 4.42Å; F7-L42 HydrophobicContact CG-CB 4.49Å; F7-L42 HydrophobicContact CG-CD1 4.32Å; F7-L42 HydrophobicContact CZ-CB 4.08Å; I10-L42 HydrophobicContact CB-CD1 4.37Å; I10-L42 HydrophobicContact CD1-CD1 3.86Å; I10-L42 HydrophobicContact CG2-CD1 3.91Å; E38-L42 PolarHBondContact O-N 3.3Å; I39-L42 HydrophobicContact CD1-CD2 4.13Å; I39-L42 WeakPolarHBondContact O-CA 3.35Å; I39-L42 WeakPolarHBondContact O-CB 3.29Å; I39-L42 PolarHBondContact O-N 2.91Å; G40-L42 PolarHBondContact O-N 3.23Å; L42-F45 PolarHBondContact O-N 2.96Å; L42-L46 HydrophobicContact CD1-CD1 3.74Å; L42-L46 HydrophobicContact CD1-CG 4.14Å; L42-L46 HydrophobicContact CG-CD1 3.84Å; L42-L46 WeakPolarHBondContact O-CD1 3.36Å; L42-L46 VanDerWaalsContact O-CG 3.29Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.07Å |
| 43 | V | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -39.7 | -177.7 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | I39 G40 L46 V47 L63 M65 A67 P76 | I39-V43 HydrophobicContact CD1-CG1 4.35Å; I39-V43 HydrophobicContact CG1-CG1 4.37Å; I39-V43 PolarHBondContact O-N 2.8Å; G40-V43 WeakPolarHBondContact O-CG2 3.48Å; V43-L46 PolarHBondContact O-N 3.08Å; V43-V47 WeakPolarHBondContact O-CB 3.22Å; V43-V47 VanDerWaalsContact O-CG2 3.3Å; V43-V47 WeakPolarHBondContact O-CG2 3.12Å; V43-V47 PolarHBondContact O-N 2.93Å; V43-L63 HydrophobicContact CG1-CB 4.09Å; V43-M65 HydrophobicContact CB-CE 3.94Å; V43-M65 HydrophobicContact CB-SD 4.32Å; V43-M65 HydrophobicContact CG1-CE 3.59Å; V43-A67 HydrophobicContact CG2-CB 4.37Å; V43-P76 HydrophobicContact CB-CG 4.23Å; V43-P76 HydrophobicContact CG2-CG 3.79Å |
| 44 | C | 97.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 173.7 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | G40 L46 V47 S48 H69 D74 I79 | G40-C44 WeakPolarHBondContact O-CB 3.49Å; G40-C44 PolarHBondContact O-N 3.37Å; G40-C44 PolarHBondContact O-SG 3.39Å; C44-L46 VanDerWaalsContact C-N 3.34Å; C44-L46 PolarHBondContact O-N 2.65Å; C44-V47 PolarHBondContact O-N 3.32Å; C44-S48 WeakPolarHBondContact O-CB 3.41Å; C44-S48 PolarHBondContact O-N 3.47Å; C44-S48 PolarHBondContact O-OG 2.81Å; C44-S48 VanDerWaalsContact O-OG 3.05Å; C44-H69 HydrophobicContact CB-CB 4.29Å; C44-D74 PolarHBondContact SG-O 3.5Å; C44-I79 HydrophobicContact CB-CD1 3.52Å |
| 45 | F | 96.2 | Very high | 93.6 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 174.8 | 170.2 | -96.2 | 0 | 0 | 0 | 112 | F7 I10 K11 S41 L42 K49 | F7-F45 HydrophobicContact CE2-CB 4.34Å; F7-F45 HydrophobicContact CE2-CD1 4.45Å; F7-F45 HydrophobicContact CE2-CG 4.47Å; I10-F45 HydrophobicContact CG2-CD1 4.31Å; I10-F45 HydrophobicContact CG2-CE1 4.03Å; K11-F45 HydrophobicContact CB-CZ 4.32Å; K11-F45 HydrophobicContact CG-CD1 4.47Å; K11-F45 HydrophobicContact CG-CE1 4.25Å; K11-F45 HydrophobicContact CG-CE2 4.27Å; K11-F45 HydrophobicContact CG-CZ 4.15Å; S41-F45 WeakPolarHBondContact O-CB 3.47Å; S41-F45 PolarHBondContact O-N 3.33Å; L42-F45 PolarHBondContact O-N 2.96Å; F45-K49 HydrophobicContact CD2-CG 4.08Å; F45-K49 HydrophobicContact CE1-CG 4.16Å; F45-K49 HydrophobicContact CE2-CD 4.29Å; F45-K49 HydrophobicContact CE2-CG 3.69Å; F45-K49 HydrophobicContact CG-CG 4.48Å; F45-K49 HydrophobicContact CZ-CD 4.45Å; F45-K49 HydrophobicContact CZ-CG 3.72Å; F45-K49 VanDerWaalsContact O-CB 3.32Å; F45-K49 WeakPolarHBondContact O-CB 3.26Å; F45-K49 VanDerWaalsContact O-CG 3.27Å; F45-K49 WeakPolarHBondContact O-CG 3.46Å; F45-K49 PolarHBondContact O-N 3.07Å |
| 46 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | -179.3 | -72.8 | 163.4 | 0 | 0 | 0 | 111.9 | I10 P16 L20 L42 V43 C44 K49 T50 L58 L63 | I10-L46 HydrophobicContact CG2-CD2 3.78Å; I10-L46 HydrophobicContact CG2-CG 4.43Å; P16-L46 HydrophobicContact CB-CD2 3.6Å; L20-L46 HydrophobicContact CD1-CD1 3.61Å; L20-L46 HydrophobicContact CD1-CD2 3.61Å; L20-L46 HydrophobicContact CD1-CG 4.25Å; L42-L46 HydrophobicContact CD1-CD1 3.74Å; L42-L46 HydrophobicContact CD1-CG 4.14Å; L42-L46 HydrophobicContact CG-CD1 3.84Å; L42-L46 WeakPolarHBondContact O-CD1 3.36Å; L42-L46 VanDerWaalsContact O-CG 3.29Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.07Å; V43-L46 PolarHBondContact O-N 3.08Å; C44-L46 VanDerWaalsContact C-N 3.34Å; C44-L46 PolarHBondContact O-N 2.65Å; L46-K49 PolarHBondContact O-N 2.91Å; L46-T50 VanDerWaalsContact O-CB 3.31Å; L46-T50 WeakPolarHBondContact O-CB 3.47Å; L46-T50 VanDerWaalsContact O-CG2 3.22Å; L46-T50 WeakPolarHBondContact O-CG2 3.46Å; L46-T50 PolarHBondContact O-N 3.08Å; L46-T50 PolarHBondContact O-OG1 3.26Å; L46-L58 HydrophobicContact CB-CD1 3.97Å; L46-L58 HydrophobicContact CB-CD2 4.21Å; L46-L58 HydrophobicContact CD1-CD2 3.83Å; L46-L58 HydrophobicContact CG-CD2 4.46Å; L46-L63 HydrophobicContact CD1-CD1 4.31Å |
| 47 | V | 97 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -45.5 | 179.3 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | V43 C44 K49 T50 Y51 L58 M65 P76 I79 L80 | V43-V47 WeakPolarHBondContact O-CB 3.22Å; V43-V47 VanDerWaalsContact O-CG2 3.3Å; V43-V47 WeakPolarHBondContact O-CG2 3.12Å; V43-V47 PolarHBondContact O-N 2.93Å; C44-V47 PolarHBondContact O-N 3.32Å; V47-K49 VanDerWaalsContact C-N 3.32Å; V47-K49 PolarHBondContact O-N 3.18Å; V47-T50 PolarHBondContact O-N 3.24Å; V47-Y51 PolarHBondContact O-N 3.13Å; V47-L58 HydrophobicContact CG2-CD1 3.84Å; V47-M65 HydrophobicContact CG2-SD 4.39Å; V47-P76 HydrophobicContact CG2-CB 4.09Å; V47-P76 HydrophobicContact CG2-CG 4.45Å; V47-I79 HydrophobicContact CG1-CG2 4.16Å; V47-L80 HydrophobicContact CG1-CD1 4.3Å; V47-L80 HydrophobicContact CG1-CD2 3.64Å; V47-L80 HydrophobicContact CG1-CG 3.7Å |
| 48 | S | 94.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | C44 I79 | C44-S48 WeakPolarHBondContact O-CB 3.41Å; C44-S48 PolarHBondContact O-N 3.47Å; C44-S48 PolarHBondContact O-OG 2.81Å; C44-S48 VanDerWaalsContact O-OG 3.05Å; S48-I79 WeakPolarHBondContact OG-CG2 3.21Å |
| 49 | K | 92.5 | Very high | 93.8 | Very high | 138 Ų | 138 | 37.7 Ų | 37.7 | 60% | 0.6 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -76.6 | -26.1 | -179.3 | -74 | -67.3 | 179.6 | -174.7 | 0 | 114.1 | F45 L46 V47 | F45-K49 HydrophobicContact CD2-CG 4.08Å; F45-K49 HydrophobicContact CE1-CG 4.16Å; F45-K49 HydrophobicContact CE2-CD 4.29Å; F45-K49 HydrophobicContact CE2-CG 3.69Å; F45-K49 HydrophobicContact CG-CG 4.48Å; F45-K49 HydrophobicContact CZ-CD 4.45Å; F45-K49 HydrophobicContact CZ-CG 3.72Å; F45-K49 VanDerWaalsContact O-CB 3.32Å; F45-K49 WeakPolarHBondContact O-CB 3.26Å; F45-K49 VanDerWaalsContact O-CG 3.27Å; F45-K49 WeakPolarHBondContact O-CG 3.46Å; F45-K49 PolarHBondContact O-N 3.07Å; L46-K49 PolarHBondContact O-N 2.91Å; V47-K49 VanDerWaalsContact C-N 3.32Å; V47-K49 PolarHBondContact O-N 3.18Å |
| 50 | T | 90.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -106.4 | -2.7 | -174.7 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | L17 L46 V47 G52 L53 | L17-T50 HydrophobicContact CD1-CG2 3.63Å; L17-T50 HydrophobicContact CD2-CG2 4.05Å; L17-T50 HydrophobicContact CG-CG2 3.67Å; L46-T50 VanDerWaalsContact O-CB 3.31Å; L46-T50 WeakPolarHBondContact O-CB 3.47Å; L46-T50 VanDerWaalsContact O-CG2 3.22Å; L46-T50 WeakPolarHBondContact O-CG2 3.46Å; L46-T50 PolarHBondContact O-N 3.08Å; L46-T50 PolarHBondContact O-OG1 3.26Å; V47-T50 PolarHBondContact O-N 3.24Å; T50-G52 PolarHBondContact O-N 3.31Å; T50-G52 VanDerWaalsContact O-N 3.14Å; T50-L53 WeakPolarHBondContact O-CB 3.34Å; T50-L53 PolarHBondContact O-N 3.11Å |
| 51 | Y | 88.1 | Confident | 93.6 | Very high | 136 Ų | 136 | 43.8 Ų | 43.8 | 53% | 0.533 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 41.4 | -178.3 | -61.7 | -86.9 | 0 | 0 | 0 | 112.2 | V47 L53 L85 | V47-Y51 PolarHBondContact O-N 3.13Å; Y51-L53 PolarHBondContact O-N 2.84Å; Y51-L85 VanDerWaalsContact C-CD1 3.45Å; Y51-L85 HydrophobicContact CD1-CD1 4.36Å; Y51-L85 WeakPolarHBondContact O-CD1 3.22Å |
| 52 | G | 83 | Confident | 93.4 | Very high | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -9.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | T50 G54 L55 | T50-G52 PolarHBondContact O-N 3.31Å; T50-G52 VanDerWaalsContact O-N 3.14Å; G52-G54 PolarHBondContact O-N 3.18Å; G52-G54 VanDerWaalsContact O-N 3.1Å; G52-L55 VanDerWaalsContact O-CB 3.26Å; G52-L55 WeakPolarHBondContact O-CB 3.35Å; G52-L55 PolarHBondContact O-N 3.36Å |
| 53 | L | 86.6 | Confident | 93.4 | Very high | 161 Ų | 161 | 45.3 Ų | 45.3 | 84% | 0.843 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.2 | 177.9 | -66.2 | 175.2 | 0 | 0 | 0 | 112.7 | T50 Y51 | T50-L53 WeakPolarHBondContact O-CB 3.34Å; T50-L53 PolarHBondContact O-N 3.11Å; Y51-L53 PolarHBondContact O-N 2.84Å |
| 54 | G | 89.5 | Confident | 93.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -2.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L17 G52 K56 I57 L58 | L17-G54 VanDerWaalsContact CD1-CA 3.44Å; G52-G54 PolarHBondContact O-N 3.18Å; G52-G54 VanDerWaalsContact O-N 3.1Å; G54-K56 VanDerWaalsContact C-N 3.28Å; G54-K56 PolarHBondContact O-N 2.92Å; G54-I57 WeakPolarHBondContact O-CA 3.28Å; G54-I57 WeakPolarHBondContact O-CB 3.21Å; G54-I57 PolarHBondContact O-N 3.45Å; G54-L58 WeakPolarHBondContact O-CG 2.97Å; G54-L58 PolarHBondContact O-N 2.9Å |
| 55 | L | 94.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -40.4 | -164.8 | -173.7 | 64.5 | 0 | 0 | 0 | 112.6 | G52 I57 L58 L59 M65 L80 A88 Q91 L92 | G52-L55 VanDerWaalsContact O-CB 3.26Å; G52-L55 WeakPolarHBondContact O-CB 3.35Å; G52-L55 PolarHBondContact O-N 3.36Å; L55-I57 VanDerWaalsContact C-N 3.35Å; L55-I57 PolarHBondContact O-N 3.42Å; L55-L58 PolarHBondContact O-N 3.16Å; L55-L59 HydrophobicContact CG-CD1 4.08Å; L55-L59 HydrophobicContact CG-CG 4.47Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 2.89Å; L55-M65 HydrophobicContact CD1-CG 4.23Å; L55-M65 HydrophobicContact CD1-SD 3.91Å; L55-L80 HydrophobicContact CD2-CD1 4.27Å; L55-A88 HydrophobicContact CD2-CB 4.4Å; L55-A88 WeakPolarHBondContact CD2-O 3.39Å; L55-Q91 HydrophobicContact CD2-CB 4.09Å; L55-Q91 HydrophobicContact CD2-CG 4.03Å; L55-L92 HydrophobicContact CD1-CD1 4.4Å; L55-L92 HydrophobicContact CD2-CB 3.89Å |
| 56 | K | 93.4 | Very high | 93.4 | Very high | 131 Ų | 131 | 47.8 Ų | 47.8 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -57.9 | -45.5 | 173.9 | -175 | 174.6 | 178.4 | 178.9 | 0 | 112.3 | G54 L58 L59 D60 | G54-K56 VanDerWaalsContact C-N 3.28Å; G54-K56 PolarHBondContact O-N 2.92Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.22Å; K56-L59 PolarHBondContact O-N 2.95Å; K56-D60 VanDerWaalsContact O-CB 3.32Å; K56-D60 WeakPolarHBondContact O-CB 3.3Å; K56-D60 PolarHBondContact O-N 3.28Å |
| 57 | I | 93.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 20% | 0.195 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 178.6 | -63.4 | 159.2 | 0 | 0 | 0 | 110 | L17 K21 G54 L55 D60 C61 | L17-I57 HydrophobicContact CD1-CD1 4.25Å; K21-I57 VanDerWaalsContact CE-CD1 3.46Å; K21-I57 HydrophobicContact CG-CG2 4.12Å; G54-I57 WeakPolarHBondContact O-CA 3.28Å; G54-I57 WeakPolarHBondContact O-CB 3.21Å; G54-I57 PolarHBondContact O-N 3.45Å; L55-I57 VanDerWaalsContact C-N 3.35Å; L55-I57 PolarHBondContact O-N 3.42Å; I57-D60 PolarHBondContact O-N 2.89Å; I57-C61 WeakPolarHBondContact O-CB 3.39Å; I57-C61 PolarHBondContact O-N 3.47Å; I57-C61 PolarHBondContact O-SG 2.82Å |
| 58 | L | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | -179.9 | -58.9 | -178.6 | 0 | 0 | 0 | 111.9 | L17 L20 L46 V47 G54 L55 K56 C61 L63 M65 | L17-L58 HydrophobicContact CD2-CD2 3.64Å; L17-L58 HydrophobicContact CD2-CG 4.17Å; L20-L58 HydrophobicContact CD1-CD2 3.74Å; L46-L58 HydrophobicContact CB-CD1 3.97Å; L46-L58 HydrophobicContact CB-CD2 4.21Å; L46-L58 HydrophobicContact CD1-CD2 3.83Å; L46-L58 HydrophobicContact CG-CD2 4.46Å; V47-L58 HydrophobicContact CG2-CD1 3.84Å; G54-L58 WeakPolarHBondContact O-CG 2.97Å; G54-L58 PolarHBondContact O-N 2.9Å; L55-L58 PolarHBondContact O-N 3.16Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.22Å; L58-C61 WeakPolarHBondContact O-CB 3.38Å; L58-C61 PolarHBondContact O-N 3.34Å; L58-L63 HydrophobicContact CB-CD1 4.46Å; L58-L63 HydrophobicContact CD2-CD1 4.04Å; L58-L63 PolarHBondContact O-N 3.09Å; L58-M65 HydrophobicContact CB-CE 3.56Å; L58-M65 HydrophobicContact CB-SD 4.14Å; L58-M65 HydrophobicContact CD1-CE 4.28Å; L58-M65 HydrophobicContact CD1-SD 4.28Å; L58-M65 HydrophobicContact CG-CE 4.49Å |
| 59 | L | 95.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 174 | -70.4 | 167.8 | 0 | 0 | 0 | 111.7 | L55 K56 C61 G62 M65 K95 | L55-L59 HydrophobicContact CG-CD1 4.08Å; L55-L59 HydrophobicContact CG-CG 4.47Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 2.89Å; K56-L59 PolarHBondContact O-N 2.95Å; L59-C61 PolarHBondContact O-N 3.03Å; L59-G62 WeakPolarHBondContact O-CA 3.42Å; L59-G62 PolarHBondContact O-N 3.28Å; L59-M65 HydrophobicContact CD2-CB 4.39Å; L59-M65 HydrophobicContact CD2-CG 3.64Å; L59-M65 HydrophobicContact CG-CG 4.27Å; L59-K95 HydrophobicContact CD1-CB 4.44Å; L59-K95 HydrophobicContact CD1-CG 4.07Å; L59-K95 HydrophobicContact CD2-CB 4.47Å |
| 60 | D | 94.1 | Very high | 93.6 | Very high | 118 Ų | 118 | 48.5 Ų | 48.5 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.4 | -28.4 | 178.3 | -68.4 | -14.9 | 0 | 0 | 0 | 111.6 | K56 I57 G62 | K56-D60 VanDerWaalsContact O-CB 3.32Å; K56-D60 WeakPolarHBondContact O-CB 3.3Å; K56-D60 PolarHBondContact O-N 3.28Å; I57-D60 PolarHBondContact O-N 2.89Å; D60-G62 PolarHBondContact O-N 3.32Å |
| 61 | C | 94.5 | Very high | 93.7 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -7 | 171.5 | -69.7 | 0 | 0 | 0 | 0 | 113.5 | L30 I57 L58 L59 L63 | L30-C61 HydrophobicContact CB-CB 4.41Å; L30-C61 HydrophobicContact CD1-CB 3.69Å; I57-C61 WeakPolarHBondContact O-CB 3.39Å; I57-C61 PolarHBondContact O-N 3.47Å; I57-C61 PolarHBondContact O-SG 2.82Å; L58-C61 WeakPolarHBondContact O-CB 3.38Å; L58-C61 PolarHBondContact O-N 3.34Å; L59-C61 PolarHBondContact O-N 3.03Å; C61-L63 VanDerWaalsContact C-N 3.3Å; C61-L63 HydrophobicContact CB-CD1 4.35Å; C61-L63 HydrophobicContact CB-CG 4.2Å; C61-L63 PolarHBondContact O-N 3.19Å |
| 62 | G | 94.6 | Very high | 94.1 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 23.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K31 N34 L59 D60 | K31-G62 WeakPolarHBondContact CA-O 3.38Å; K31-G62 WeakPolarHBondContact CB-O 3.19Å; N34-G62 PolarHBondContact ND2-O 2.9Å; L59-G62 WeakPolarHBondContact O-CA 3.42Å; L59-G62 PolarHBondContact O-N 3.28Å; D60-G62 PolarHBondContact O-N 3.32Å |
| 63 | L | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | trans | -74.8 | 136.1 | 175.2 | -67.2 | 170.3 | 0 | 0 | 0 | 110.1 | L30 N34 I39 V43 L46 L58 C61 M65 | L30-L63 HydrophobicContact CB-CD2 4.11Å; N34-L63 WeakPolarHBondContact OD1-CA 3.27Å; I39-L63 HydrophobicContact CD1-CD2 4.02Å; V43-L63 HydrophobicContact CG1-CB 4.09Å; L46-L63 HydrophobicContact CD1-CD1 4.31Å; L58-L63 HydrophobicContact CB-CD1 4.46Å; L58-L63 HydrophobicContact CD2-CD1 4.04Å; L58-L63 PolarHBondContact O-N 3.09Å; C61-L63 VanDerWaalsContact C-N 3.3Å; C61-L63 HydrophobicContact CB-CD1 4.35Å; C61-L63 HydrophobicContact CB-CG 4.2Å; C61-L63 PolarHBondContact O-N 3.19Å; L63-M65 HydrophobicContact CB-CE 3.42Å; L63-M65 VanDerWaalsContact CB-CE 3.42Å; L63-M65 HydrophobicContact CD1-CE 4.39Å; L63-M65 PolarHBondContact O-N 3.29Å; L63-M65 VanDerWaalsContact O-N 3.15Å | ||
| 64 | D | 96.7 | Very high | 95.1 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | trans | -72.7 | 104.9 | 178.6 | -177.4 | 6.1 | 0 | 0 | 0 | 111.2 | N34 S66 | N34-D64 HydrophobicContact CB-CB 4.1Å; N34-D64 PolarHBondContact ND2-N 3.34Å; N34-D64 PolarHBondContact OD1-N 2.91Å; D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 VanDerWaalsContact CG-OG 3.28Å; D64-S66 PolarHBondContact O-N 3.18Å; D64-S66 WeakPolarHBondContact OD1-CA 3.46Å; D64-S66 VanDerWaalsContact OD1-CB 3.3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.21Å; D64-S66 PolarHBondContact OD1-N 3.33Å; D64-S66 PolarHBondContact OD1-OG 3.21Å; D64-S66 PolarHBondContact OD2-OG 2.68Å | ||
| 65 | M | 97.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2.1 | 177.8 | -62.7 | -65.2 | 119.3 | 0 | 0 | 113.5 | V43 V47 L55 L58 L59 L63 P76 L92 L96 | V43-M65 HydrophobicContact CB-CE 3.94Å; V43-M65 HydrophobicContact CB-SD 4.32Å; V43-M65 HydrophobicContact CG1-CE 3.59Å; V47-M65 HydrophobicContact CG2-SD 4.39Å; L55-M65 HydrophobicContact CD1-CG 4.23Å; L55-M65 HydrophobicContact CD1-SD 3.91Å; L58-M65 HydrophobicContact CB-CE 3.56Å; L58-M65 HydrophobicContact CB-SD 4.14Å; L58-M65 HydrophobicContact CD1-CE 4.28Å; L58-M65 HydrophobicContact CD1-SD 4.28Å; L58-M65 HydrophobicContact CG-CE 4.49Å; L59-M65 HydrophobicContact CD2-CB 4.39Å; L59-M65 HydrophobicContact CD2-CG 3.64Å; L59-M65 HydrophobicContact CG-CG 4.27Å; L63-M65 HydrophobicContact CB-CE 3.42Å; L63-M65 VanDerWaalsContact CB-CE 3.42Å; L63-M65 HydrophobicContact CD1-CE 4.39Å; L63-M65 PolarHBondContact O-N 3.29Å; L63-M65 VanDerWaalsContact O-N 3.15Å; M65-P76 WeakPolarHBondContact O-CD 3.24Å; M65-P76 WeakPolarHBondContact O-CG 3.09Å; M65-P76 HydrophobicContact SD-CG 4.34Å; M65-L92 HydrophobicContact CB-CD1 3.61Å; M65-L92 HydrophobicContact CG-CD1 4.17Å; M65-L96 HydrophobicContact CB-CD2 4.21Å |
| 66 | S | 96.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -16.9 | 172.2 | 75.6 | 0 | 0 | 0 | 0 | 112.8 | D64 S100 | D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 VanDerWaalsContact CG-OG 3.28Å; D64-S66 PolarHBondContact O-N 3.18Å; D64-S66 WeakPolarHBondContact OD1-CA 3.46Å; D64-S66 VanDerWaalsContact OD1-CB 3.3Å; D64-S66 WeakPolarHBondContact OD1-CB 3.21Å; D64-S66 PolarHBondContact OD1-N 3.33Å; D64-S66 PolarHBondContact OD1-OG 3.21Å; D64-S66 PolarHBondContact OD2-OG 2.68Å; S66-S100 VanDerWaalsContact CB-OG 3.3Å; S66-S100 WeakPolarHBondContact CB-OG 3.42Å |
| 67 | A | 97.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 12% | 0.116 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 136.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I39 V43 P76 | I39-A67 HydrophobicContact CG2-CB 3.8Å; V43-A67 HydrophobicContact CG2-CB 4.37Å; A67-P76 WeakPolarHBondContact O-CD 3.35Å |
| 68 | S | 96.1 | Very high | 96 | Very high | 46 Ų | 46 | 35 Ų | 35 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -98.7 | 145.3 | -178.7 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | G40 H70 G73 D74 | G40-S68 WeakPolarHBondContact CA-O 3.33Å; S68-H70 PolarHBondContact O-N 3.33Å; S68-G73 WeakPolarHBondContact CB-O 3.45Å; S68-D74 CarbonylContact C-O 3.59Å; S68-D74 VanDerWaalsContact CA-O 3.28Å; S68-D74 WeakPolarHBondContact CA-O 3.43Å |
| 69 | H | 97.2 | Very high | 96 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 20% | 0.199 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 124.3 | 176.3 | -174.4 | -67.4 | 0 | 0 | 0 | 110.5 | C44 I71 T72 G73 D74 | C44-H69 HydrophobicContact CB-CB 4.29Å; H69-I71 VanDerWaalsContact C-N 3.26Å; H69-I71 PolarHBondContact ND1-N 3.32Å; H69-I71 VanDerWaalsContact ND1-N 3.12Å; H69-I71 PolarHBondContact O-N 3.14Å; H69-I71 VanDerWaalsContact O-N 3.08Å; H69-T72 PolarHBondContact ND1-N 3.47Å; H69-T72 PolarHBondContact O-N 2.96Å; H69-G73 VanDerWaalsContact O-CA 3.23Å; H69-G73 WeakPolarHBondContact O-CA 3.45Å; H69-G73 PolarHBondContact O-N 3.29Å; H69-D74 PolarHBondContact N-O 3.49Å |
| 70 | H | 93.6 | Very high | 96.1 | Very high | 105 Ų | 105 | 33.7 Ų | 33.7 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32.8 | -172.4 | 70.7 | -71.1 | 0 | 0 | 0 | 115.4 | S41 S68 | S41-H70 PolarHBondContact OG-CE1 3.1Å; S41-H70 PolarHBondContact OG-ND1 3.49Å; S68-H70 PolarHBondContact O-N 3.33Å |
| 71 | I | 93.7 | Very high | 96.2 | Very high | 107 Ų | 107 | 28.1 Ų | 28.1 | 55% | 0.549 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -59.4 | 177.4 | -52.3 | -179.5 | 0 | 0 | 0 | 111.9 | H69 I106 | H69-I71 VanDerWaalsContact C-N 3.26Å; H69-I71 PolarHBondContact ND1-N 3.32Å; H69-I71 VanDerWaalsContact ND1-N 3.12Å; H69-I71 PolarHBondContact O-N 3.14Å; H69-I71 VanDerWaalsContact O-N 3.08Å; I71-I106 WeakPolarHBondContact O-CD1 3.13Å |
| 72 | T | 95 | Very high | 96.2 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 29% | 0.288 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -17.3 | -170.8 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | H69 D74 N105 I106 | H69-T72 PolarHBondContact ND1-N 3.47Å; H69-T72 PolarHBondContact O-N 2.96Å; T72-D74 WeakPolarHBondContact CB-OD2 3.32Å; T72-D74 PolarHBondContact O-N 3.27Å; T72-D74 WeakPolarHBondContact OG1-CB 3.37Å; T72-D74 PolarHBondContact OG1-N 3.06Å; T72-D74 PolarHBondContact OG1-OD2 3.3Å; T72-N105 VanDerWaalsContact O-CB 3.3Å; T72-N105 WeakPolarHBondContact O-CB 3.45Å; T72-I106 WeakPolarHBondContact O-CG1 3.3Å; T72-I106 PolarHBondContact O-N 3.1Å; T72-I106 VanDerWaalsContact O-N 3.08Å |
| 73 | G | 95.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | trans | 70.5 | 7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S68 H69 H103 N105 | S68-G73 WeakPolarHBondContact CB-O 3.45Å; H69-G73 VanDerWaalsContact O-CA 3.23Å; H69-G73 WeakPolarHBondContact O-CA 3.45Å; H69-G73 PolarHBondContact O-N 3.29Å; G73-H103 PolarHBondContact O-CD2 2.97Å; G73-H103 PolarHBondContact O-NE2 3.46Å; G73-N105 WeakPolarHBondContact O-CB 3.36Å | ||
| 74 | D | 96.2 | Very high | 96 | Very high | 35 Ų | 35 | 33.6 Ų | 33.6 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | trans | -67.3 | 139.1 | 180 | -65.7 | -41.1 | 0 | 0 | 0 | 111 | C44 S68 H69 T72 I79 N105 | C44-D74 PolarHBondContact SG-O 3.5Å; S68-D74 CarbonylContact C-O 3.59Å; S68-D74 VanDerWaalsContact CA-O 3.28Å; S68-D74 WeakPolarHBondContact CA-O 3.43Å; H69-D74 PolarHBondContact N-O 3.49Å; T72-D74 WeakPolarHBondContact CB-OD2 3.32Å; T72-D74 PolarHBondContact O-N 3.27Å; T72-D74 WeakPolarHBondContact OG1-CB 3.37Å; T72-D74 PolarHBondContact OG1-N 3.06Å; T72-D74 PolarHBondContact OG1-OD2 3.3Å; D74-I79 HydrophobicContact CB-CD1 4.34Å; D74-I79 HydrophobicContact CB-CG1 4.2Å; D74-N105 PolarHBondContact OD1-ND2 3.12Å | ||
| 75 | T | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | trans | -98.7 | 160.7 | 167.6 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | L77 I78 I79 H103 | T75-L77 PolarHBondContact O-N 2.89Å; T75-L77 VanDerWaalsContact O-N 3.1Å; T75-I78 PolarHBondContact O-N 2.88Å; T75-I78 PolarHBondContact OG1-N 3.47Å; T75-I79 PolarHBondContact O-N 2.95Å; T75-I79 VanDerWaalsContact O-N 3.1Å; T75-H103 HydrophobicContact CG2-CB 4.2Å; T75-H103 WeakPolarHBondContact CG2-CD2 3.28Å | ||
| 76 | P | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -45 | -38.4 | 166.4 | -36.5 | 42 | 0 | 0 | 0 | 114.2 | V43 V47 M65 A67 I79 L80 L92 | V43-P76 HydrophobicContact CB-CG 4.23Å; V43-P76 HydrophobicContact CG2-CG 3.79Å; V47-P76 HydrophobicContact CG2-CB 4.09Å; V47-P76 HydrophobicContact CG2-CG 4.45Å; M65-P76 WeakPolarHBondContact O-CD 3.24Å; M65-P76 WeakPolarHBondContact O-CG 3.09Å; M65-P76 HydrophobicContact SD-CG 4.34Å; A67-P76 WeakPolarHBondContact O-CD 3.35Å; P76-I79 PolarHBondContact O-N 3.14Å; P76-L80 VanDerWaalsContact O-CG 3.26Å; P76-L80 WeakPolarHBondContact O-CG 3.45Å; P76-L80 PolarHBondContact O-N 3.14Å; P76-L92 HydrophobicContact CB-CD2 3.77Å |
| 77 | L | 98 | Very high | 95.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 179 | -174.9 | 62.6 | 0 | 0 | 0 | 112.3 | T75 I79 L80 C81 T89 L92 I93 L96 L101 A111 | T75-L77 PolarHBondContact O-N 2.89Å; T75-L77 VanDerWaalsContact O-N 3.1Å; L77-I79 VanDerWaalsContact C-N 3.3Å; L77-I79 PolarHBondContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.05Å; L77-C81 WeakPolarHBondContact O-CB 2.85Å; L77-C81 PolarHBondContact O-N 3Å; L77-C81 PolarHBondContact O-SG 3.08Å; L77-T89 HydrophobicContact CD1-CG2 4.18Å; L77-L92 HydrophobicContact CB-CD2 3.8Å; L77-L92 HydrophobicContact CD1-CB 4.31Å; L77-L92 HydrophobicContact CD1-CD2 4.22Å; L77-L92 HydrophobicContact CD1-CG 4.38Å; L77-I93 HydrophobicContact CD1-CG1 3.9Å; L77-L96 HydrophobicContact CB-CD1 4.18Å; L77-L96 HydrophobicContact CD2-CD1 4.19Å; L77-L101 HydrophobicContact CD2-CD2 3.97Å; L77-A111 HydrophobicContact CD2-CB 3.73Å; L77-A111 HydrophobicContact CG-CB 3.77Å |
| 78 | I | 96.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 176.1 | -68.8 | 170.1 | 0 | 0 | 0 | 110.3 | T75 C81 N82 N105 L109 Q114 | T75-I78 PolarHBondContact O-N 2.88Å; T75-I78 PolarHBondContact OG1-N 3.47Å; I78-C81 PolarHBondContact O-N 2.74Å; I78-N82 WeakPolarHBondContact O-CB 3.41Å; I78-N82 PolarHBondContact O-N 3.46Å; I78-N105 HydrophobicContact CD1-CB 4.06Å; I78-L109 VanDerWaalsContact CD1-O 3.27Å; I78-L109 WeakPolarHBondContact CD1-O 3.37Å; I78-Q114 HydrophobicContact CG2-CG 4.21Å |
| 79 | I | 97.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 9% | 0.092 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -50.8 | 179.1 | -66.3 | 165.5 | 0 | 0 | 0 | 110.7 | C44 V47 S48 D74 T75 P76 L77 C81 N82 E83 | C44-I79 HydrophobicContact CB-CD1 3.52Å; V47-I79 HydrophobicContact CG1-CG2 4.16Å; S48-I79 WeakPolarHBondContact OG-CG2 3.21Å; D74-I79 HydrophobicContact CB-CD1 4.34Å; D74-I79 HydrophobicContact CB-CG1 4.2Å; T75-I79 PolarHBondContact O-N 2.95Å; T75-I79 VanDerWaalsContact O-N 3.1Å; P76-I79 PolarHBondContact O-N 3.14Å; L77-I79 VanDerWaalsContact C-N 3.3Å; L77-I79 PolarHBondContact O-N 3.14Å; I79-C81 VanDerWaalsContact C-N 3.3Å; I79-C81 PolarHBondContact O-N 2.89Å; I79-N82 PolarHBondContact O-N 3.1Å; I79-E83 WeakPolarHBondContact O-CG 3.39Å; I79-E83 PolarHBondContact O-N 3.49Å |
| 80 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | -179.7 | -70.1 | 173.6 | 0 | 0 | 0 | 112.3 | V47 L55 P76 L77 E83 G84 L85 A88 L92 | V47-L80 HydrophobicContact CG1-CD1 4.3Å; V47-L80 HydrophobicContact CG1-CD2 3.64Å; V47-L80 HydrophobicContact CG1-CG 3.7Å; L55-L80 HydrophobicContact CD2-CD1 4.27Å; P76-L80 VanDerWaalsContact O-CG 3.26Å; P76-L80 WeakPolarHBondContact O-CG 3.45Å; P76-L80 PolarHBondContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.05Å; L80-E83 PolarHBondContact O-N 3.29Å; L80-G84 PolarHBondContact O-N 3.09Å; L80-L85 HydrophobicContact CD2-CB 4.21Å; L80-L85 HydrophobicContact CD2-CD1 3.61Å; L80-L85 PolarHBondContact O-N 2.73Å; L80-A88 HydrophobicContact CD1-CB 3.94Å; L80-A88 HydrophobicContact CD2-CB 3.77Å; L80-A88 HydrophobicContact CG-CB 4.43Å; L80-L92 HydrophobicContact CD1-CB 4.28Å; L80-L92 HydrophobicContact CD1-CD2 3.85Å |
| 81 | C | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.8 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | L77 I78 I79 G84 T89 Q114 L115 R118 | L77-C81 WeakPolarHBondContact O-CB 2.85Å; L77-C81 PolarHBondContact O-N 3Å; L77-C81 PolarHBondContact O-SG 3.08Å; I78-C81 PolarHBondContact O-N 2.74Å; I79-C81 VanDerWaalsContact C-N 3.3Å; I79-C81 PolarHBondContact O-N 2.89Å; C81-G84 PolarHBondContact O-N 3.15Å; C81-T89 VanDerWaalsContact SG-CG2 3.52Å; C81-Q114 HydrophobicContact CB-CB 3.65Å; C81-Q114 HydrophobicContact CB-CG 4.48Å; C81-L115 HydrophobicContact CB-CD2 3.98Å; C81-L115 HydrophobicContact CB-CG 3.89Å; C81-R118 WeakPolarHBondContact O-CD 3.26Å |
| 82 | N | 94.2 | Very high | 95.5 | Very high | 71 Ų | 71 | 27.6 Ų | 27.6 | 38% | 0.38 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.3 | 178.9 | 69 | 0 | 0 | 0 | 112.2 | I78 I79 G84 Q114 R118 | I78-N82 WeakPolarHBondContact O-CB 3.41Å; I78-N82 PolarHBondContact O-N 3.46Å; I79-N82 PolarHBondContact O-N 3.1Å; N82-G84 VanDerWaalsContact C-N 3.29Å; N82-G84 PolarHBondContact O-N 3.24Å; N82-Q114 HydrophobicContact CB-CG 4.21Å; N82-Q114 PolarHBondContact OD1-OE1 2.8Å; N82-Q114 VanDerWaalsContact OD1-OE1 3.1Å; N82-R118 WeakPolarHBondContact O-CD 3.34Å; N82-R118 PolarHBondContact O-NE 3.13Å; N82-R118 PolarHBondContact O-NH1 2.92Å |
| 83 | E | 93.5 | Very high | 95.5 | Very high | 82 Ų | 82 | 25.4 Ų | 25.4 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -74.9 | -20.4 | 175.4 | -62.6 | -53.9 | 130.1 | 0 | 0 | 112.3 | I79 L80 L85 R118 | I79-E83 WeakPolarHBondContact O-CG 3.39Å; I79-E83 PolarHBondContact O-N 3.49Å; L80-E83 PolarHBondContact O-N 3.29Å; E83-L85 HydrophobicContact CB-CD1 3.72Å; E83-L85 HydrophobicContact CB-CG 3.76Å; E83-L85 HydrophobicContact CG-CD1 4.37Å; E83-R118 PolarHBondContact O-NH2 2.96Å |
| 84 | G | 91.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 30.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L80 C81 N82 C86 | L80-G84 PolarHBondContact O-N 3.09Å; C81-G84 PolarHBondContact O-N 3.15Å; N82-G84 VanDerWaalsContact C-N 3.29Å; N82-G84 PolarHBondContact O-N 3.24Å; G84-C86 PolarHBondContact O-N 2.67Å |
| 85 | L | 94.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 35.5 Ų | 35.5 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | trans | -85.1 | 72.8 | -174.2 | -63.9 | 167.6 | 0 | 0 | 0 | 111.7 | Y51 L80 E83 G87 A88 T89 | Y51-L85 VanDerWaalsContact C-CD1 3.45Å; Y51-L85 HydrophobicContact CD1-CD1 4.36Å; Y51-L85 WeakPolarHBondContact O-CD1 3.22Å; L80-L85 HydrophobicContact CD2-CB 4.21Å; L80-L85 HydrophobicContact CD2-CD1 3.61Å; L80-L85 PolarHBondContact O-N 2.73Å; E83-L85 HydrophobicContact CB-CD1 3.72Å; E83-L85 HydrophobicContact CB-CG 3.76Å; E83-L85 HydrophobicContact CG-CD1 4.37Å; L85-G87 VanDerWaalsContact C-N 3.3Å; L85-G87 PolarHBondContact O-N 3.45Å; L85-G87 VanDerWaalsContact O-N 3.08Å; L85-A88 HydrophobicContact CB-CB 4.33Å; L85-A88 PolarHBondContact O-N 3.38Å; L85-T89 PolarHBondContact O-N 3.35Å; L85-T89 PolarHBondContact O-OG1 3.1Å | ||
| 86 | C | 94.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -48.2 | -43.8 | -169.6 | -60.8 | 0 | 0 | 0 | 0 | 115.1 | G84 K90 H120 C123 | G84-C86 PolarHBondContact O-N 2.67Å; C86-K90 WeakPolarHBondContact O-CG 3.2Å; C86-K90 PolarHBondContact O-N 3.21Å; C86-H120 PolarHBondContact SG-CE1 3.45Å; C86-H120 PolarHBondContact SG-ND1 3.5Å; C86-H120 VanDerWaalsContact SG-ND1 3.35Å; C86-C123 VanDerWaalsContact SG-SG 3.64Å |
| 87 | G | 92.7 | Very high | 94.9 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.1 | -47.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L85 Q91 | L85-G87 VanDerWaalsContact C-N 3.3Å; L85-G87 PolarHBondContact O-N 3.45Å; L85-G87 VanDerWaalsContact O-N 3.08Å; G87-Q91 WeakPolarHBondContact O-CB 3.27Å; G87-Q91 PolarHBondContact O-N 2.79Å; G87-Q91 VanDerWaalsContact O-N 3.09Å |
| 88 | A | 95.2 | Very high | 94.2 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L55 L80 L85 K90 Q91 L92 | L55-A88 HydrophobicContact CD2-CB 4.4Å; L55-A88 WeakPolarHBondContact CD2-O 3.39Å; L80-A88 HydrophobicContact CD1-CB 3.94Å; L80-A88 HydrophobicContact CD2-CB 3.77Å; L80-A88 HydrophobicContact CG-CB 4.43Å; L85-A88 HydrophobicContact CB-CB 4.33Å; L85-A88 PolarHBondContact O-N 3.38Å; A88-K90 PolarHBondContact O-N 3Å; A88-Q91 PolarHBondContact O-N 2.82Å; A88-L92 WeakPolarHBondContact O-CB 3.25Å; A88-L92 PolarHBondContact O-N 3.06Å |
| 89 | T | 97 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.9 | -51.2 | 174.2 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | L77 C81 L85 L92 I93 L115 C125 | L77-T89 HydrophobicContact CD1-CG2 4.18Å; C81-T89 VanDerWaalsContact SG-CG2 3.52Å; L85-T89 PolarHBondContact O-N 3.35Å; L85-T89 PolarHBondContact O-OG1 3.1Å; T89-L92 PolarHBondContact O-N 3.46Å; T89-I93 HydrophobicContact CG2-CD1 3.82Å; T89-I93 HydrophobicContact CG2-CG1 4.47Å; T89-I93 WeakPolarHBondContact O-CG1 3.43Å; T89-I93 PolarHBondContact O-N 2.68Å; T89-L115 HydrophobicContact CG2-CD2 4.44Å; T89-C125 HydrophobicContact CG2-CB 4.27Å |
| 90 | K | 94.6 | Very high | 93.2 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 178.6 | -73 | 178.1 | -180 | -176.5 | 0 | 112.2 | C86 A88 L92 I93 D94 C123 | C86-K90 WeakPolarHBondContact O-CG 3.2Å; C86-K90 PolarHBondContact O-N 3.21Å; A88-K90 PolarHBondContact O-N 3Å; K90-L92 PolarHBondContact O-N 3.06Å; K90-I93 PolarHBondContact O-N 2.97Å; K90-I93 VanDerWaalsContact O-N 3.15Å; K90-D94 VanDerWaalsContact O-CG 3.27Å; K90-D94 PolarHBondContact O-N 3.47Å; K90-C123 WeakPolarHBondContact CE-O 3.33Å; K90-C123 PolarHBondContact NZ-O 2.93Å |
| 91 | Q | 94.7 | Very high | 92.8 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.9 | -38.2 | 176.6 | -178.2 | -178.6 | 11.1 | 0 | 0 | 111.6 | L55 G87 A88 K95 | L55-Q91 HydrophobicContact CD2-CB 4.09Å; L55-Q91 HydrophobicContact CD2-CG 4.03Å; G87-Q91 WeakPolarHBondContact O-CB 3.27Å; G87-Q91 PolarHBondContact O-N 2.79Å; G87-Q91 VanDerWaalsContact O-N 3.09Å; A88-Q91 PolarHBondContact O-N 2.82Å; Q91-K95 WeakPolarHBondContact O-CG 3.46Å |
| 92 | L | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.9 | -40.9 | 179.1 | -169 | 55 | 0 | 0 | 0 | 112.5 | L55 M65 P76 L77 L80 A88 T89 K90 D94 K95 L96 | L55-L92 HydrophobicContact CD1-CD1 4.4Å; L55-L92 HydrophobicContact CD2-CB 3.89Å; M65-L92 HydrophobicContact CB-CD1 3.61Å; M65-L92 HydrophobicContact CG-CD1 4.17Å; P76-L92 HydrophobicContact CB-CD2 3.77Å; L77-L92 HydrophobicContact CB-CD2 3.8Å; L77-L92 HydrophobicContact CD1-CB 4.31Å; L77-L92 HydrophobicContact CD1-CD2 4.22Å; L77-L92 HydrophobicContact CD1-CG 4.38Å; L80-L92 HydrophobicContact CD1-CB 4.28Å; L80-L92 HydrophobicContact CD1-CD2 3.85Å; A88-L92 WeakPolarHBondContact O-CB 3.25Å; A88-L92 PolarHBondContact O-N 3.06Å; T89-L92 PolarHBondContact O-N 3.46Å; K90-L92 PolarHBondContact O-N 3.06Å; L92-D94 VanDerWaalsContact C-N 3.26Å; L92-D94 PolarHBondContact O-N 2.84Å; L92-K95 PolarHBondContact O-N 3.21Å; L92-L96 HydrophobicContact CD1-CD1 3.92Å; L92-L96 HydrophobicContact CD1-CD2 3.94Å; L92-L96 HydrophobicContact CD1-CG 3.66Å; L92-L96 HydrophobicContact CD2-CD1 4.14Å; L92-L96 HydrophobicContact CG-CD1 3.62Å; L92-L96 HydrophobicContact CG-CG 3.87Å; L92-L96 WeakPolarHBondContact O-CG 3.27Å; L92-L96 PolarHBondContact O-N 3.49Å |
| 93 | I | 94.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.7 | -45.4 | 174.1 | -68.8 | 166.5 | 0 | 0 | 0 | 110.3 | L77 T89 K90 K95 L101 L129 | L77-I93 HydrophobicContact CD1-CG1 3.9Å; T89-I93 HydrophobicContact CG2-CD1 3.82Å; T89-I93 HydrophobicContact CG2-CG1 4.47Å; T89-I93 WeakPolarHBondContact O-CG1 3.43Å; T89-I93 PolarHBondContact O-N 2.68Å; K90-I93 PolarHBondContact O-N 2.97Å; K90-I93 VanDerWaalsContact O-N 3.15Å; I93-K95 PolarHBondContact O-N 3.04Å; I93-K95 VanDerWaalsContact O-N 3.14Å; I93-L101 HydrophobicContact CB-CD2 4.37Å; I93-L101 HydrophobicContact CG1-CD2 4.36Å; I93-L101 HydrophobicContact CG2-CD2 4.26Å; I93-L129 HydrophobicContact CD1-CB 4.2Å |
| 94 | D | 93.9 | Very high | 92 | Very high | 114 Ų | 114 | 47 Ų | 47 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.1 | -178.9 | -63.5 | -19.5 | 0 | 0 | 0 | 114.1 | K90 L92 | K90-D94 VanDerWaalsContact O-CG 3.27Å; K90-D94 PolarHBondContact O-N 3.47Å; L92-D94 VanDerWaalsContact C-N 3.26Å; L92-D94 PolarHBondContact O-N 2.84Å |
| 95 | K | 95 | Very high | 91.8 | Very high | 143 Ų | 143 | 46.7 Ų | 46.7 | 62% | 0.622 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -18.3 | -174.3 | -67.6 | -64.6 | -179 | -166.3 | 0 | 114.1 | L59 Q91 L92 I93 | L59-K95 HydrophobicContact CD1-CB 4.44Å; L59-K95 HydrophobicContact CD1-CG 4.07Å; L59-K95 HydrophobicContact CD2-CB 4.47Å; Q91-K95 WeakPolarHBondContact O-CG 3.46Å; L92-K95 PolarHBondContact O-N 3.21Å; I93-K95 PolarHBondContact O-N 3.04Å; I93-K95 VanDerWaalsContact O-N 3.14Å |
| 96 | L | 94.8 | Very high | 91.7 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -86.6 | 149.9 | 178.7 | -71.2 | 179.7 | 0 | 0 | 0 | 111.2 | M65 L77 L92 L101 | M65-L96 HydrophobicContact CB-CD2 4.21Å; L77-L96 HydrophobicContact CB-CD1 4.18Å; L77-L96 HydrophobicContact CD2-CD1 4.19Å; L92-L96 HydrophobicContact CD1-CD1 3.92Å; L92-L96 HydrophobicContact CD1-CD2 3.94Å; L92-L96 HydrophobicContact CD1-CG 3.66Å; L92-L96 HydrophobicContact CD2-CD1 4.14Å; L92-L96 HydrophobicContact CG-CD1 3.62Å; L92-L96 HydrophobicContact CG-CG 3.87Å; L92-L96 WeakPolarHBondContact O-CG 3.27Å; L92-L96 PolarHBondContact O-N 3.49Å; L96-L101 HydrophobicContact CB-CD2 3.77Å; L96-L101 HydrophobicContact CB-CG 4.47Å; L96-L101 HydrophobicContact CD1-CD2 4.22Å |
| 97 | E | 89.4 | Confident | 91.4 | Very high | 143 Ų | 143 | 54.3 Ų | 54.3 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | trans | -68.8 | 147.6 | 169.4 | -68.5 | -65.2 | 157.9 | 0 | 0 | 110.5 | A99 S100 | E97-A99 PolarHBondContact O-N 3.18Å; E97-A99 VanDerWaalsContact O-N 3.08Å; E97-S100 PolarHBondContact O-N 2.88Å | ||
| 98 | P | 83.6 | Confident | 91 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.7 | -34.5 | -176.7 | -28.9 | 35.4 | 0 | 0 | 0 | 114.6 | S100 L101 | P98-S100 PolarHBondContact O-N 3.36Å; P98-L101 PolarHBondContact O-N 3.36Å |
| 99 | A | 82.4 | Confident | 90.7 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.7 | -27.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E97 | E97-A99 PolarHBondContact O-N 3.18Å; E97-A99 VanDerWaalsContact O-N 3.08Å |
| 100 | S | 90.3 | Very high | 90.4 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -87.6 | -18.6 | -179.1 | -50.8 | 0 | 0 | 0 | 0 | 113.3 | S66 E97 P98 F102 H103 | S66-S100 VanDerWaalsContact CB-OG 3.3Å; S66-S100 WeakPolarHBondContact CB-OG 3.42Å; E97-S100 PolarHBondContact O-N 2.88Å; P98-S100 PolarHBondContact O-N 3.36Å; S100-F102 VanDerWaalsContact C-N 3.32Å; S100-F102 PolarHBondContact O-N 3.36Å; S100-H103 PolarHBondContact O-N 3.21Å |
| 101 | L | 89.3 | Confident | 90.3 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.2 | -31.7 | -174.8 | -67.5 | -179.5 | 0 | 0 | 0 | 113.2 | L77 I93 L96 P98 L129 H132 | L77-L101 HydrophobicContact CD2-CD2 3.97Å; I93-L101 HydrophobicContact CB-CD2 4.37Å; I93-L101 HydrophobicContact CG1-CD2 4.36Å; I93-L101 HydrophobicContact CG2-CD2 4.26Å; L96-L101 HydrophobicContact CB-CD2 3.77Å; L96-L101 HydrophobicContact CB-CG 4.47Å; L96-L101 HydrophobicContact CD1-CD2 4.22Å; P98-L101 PolarHBondContact O-N 3.36Å; L101-L129 HydrophobicContact CB-CD1 3.8Å; L101-L129 HydrophobicContact CD1-CD1 4.46Å; L101-L129 HydrophobicContact CD2-CD1 4.41Å; L101-L129 HydrophobicContact CG-CD1 4.46Å; L101-H132 HydrophobicContact CD1-CB 3.63Å; L101-H132 VanDerWaalsContact CD1-CG 3.44Å |
| 102 | F | 86.9 | Confident | 90.2 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 21.2 | -176.8 | -52.2 | -72.7 | 0 | 0 | 0 | 112.4 | S100 I112 L129 H132 L133 F165 S171 | S100-F102 VanDerWaalsContact C-N 3.32Å; S100-F102 PolarHBondContact O-N 3.36Å; F102-I112 HydrophobicContact CD1-CD1 3.79Å; F102-I112 HydrophobicContact CD1-CG1 4.33Å; F102-I112 HydrophobicContact CE1-CD1 3.86Å; F102-I112 HydrophobicContact CE1-CG1 4.41Å; F102-L129 HydrophobicContact CD1-CD1 4.43Å; F102-L129 HydrophobicContact CE1-CD1 3.86Å; F102-L129 HydrophobicContact CE1-CG 3.89Å; F102-L129 HydrophobicContact CZ-CD1 4.2Å; F102-L129 WeakPolarHBondContact CZ-O 3.34Å; F102-H132 HydrophobicContact CE2-CB 4.07Å; F102-H132 HydrophobicContact CZ-CB 3.94Å; F102-L133 HydrophobicContact CD1-CD2 3.73Å; F102-L133 HydrophobicContact CD1-CG 4.46Å; F102-L133 HydrophobicContact CD2-CD2 4.23Å; F102-L133 HydrophobicContact CE1-CD1 4.34Å; F102-L133 HydrophobicContact CE1-CD2 3.3Å; F102-L133 HydrophobicContact CE1-CG 3.58Å; F102-L133 HydrophobicContact CE2-CD2 3.85Å; F102-L133 HydrophobicContact CE2-CG 4.35Å; F102-L133 HydrophobicContact CG-CD2 4.17Å; F102-L133 HydrophobicContact CZ-CB 4.42Å; F102-L133 HydrophobicContact CZ-CD2 3.37Å; F102-L133 HydrophobicContact CZ-CG 3.51Å; F102-F165 HydrophobicContact CB-CE1 4.1Å; F102-F165 HydrophobicContact CB-CZ 4.38Å; F102-F165 HydrophobicContact CG-CZ 4.48Å; F102-S171 PolarHBondContact O-OG 3.4Å |
| 103 | H | 89.5 | Confident | 89.9 | Confident | 61 Ų | 61 | 50 Ų | 50 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | trans | -58.6 | 142.5 | 173.2 | 176.8 | 81.4 | 0 | 0 | 0 | 111 | G73 T75 S100 | G73-H103 PolarHBondContact O-CD2 2.97Å; G73-H103 PolarHBondContact O-NE2 3.46Å; T75-H103 HydrophobicContact CG2-CB 4.2Å; T75-H103 WeakPolarHBondContact CG2-CD2 3.28Å; S100-H103 PolarHBondContact O-N 3.21Å | ||
| 104 | S | 90.2 | Very high | 89.8 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -118.5 | 133.8 | 178.1 | -163.6 | 0 | 0 | 0 | 0 | 110.3 | G108 L109 D168 | S104-G108 VanDerWaalsContact OG-C 3.3Å; S104-G108 VanDerWaalsContact OG-CA 3.24Å; S104-G108 WeakPolarHBondContact OG-CA 3.46Å; S104-L109 WeakPolarHBondContact CA-O 3.27Å; S104-D168 VanDerWaalsContact CB-CG 3.41Å; S104-D168 WeakPolarHBondContact CB-OD1 3.42Å; S104-D168 VanDerWaalsContact CB-OD2 3.27Å; S104-D168 WeakPolarHBondContact CB-OD2 3.31Å; S104-D168 PolarHBondContact OG-OD1 3.42Å |
| 105 | N | 88.7 | Confident | 89.8 | Confident | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -78.4 | -177.1 | 178.5 | 84.4 | -5.5 | 0 | 0 | 0 | 111.6 | T72 G73 D74 I78 I107 G108 L109 | T72-N105 VanDerWaalsContact O-CB 3.3Å; T72-N105 WeakPolarHBondContact O-CB 3.45Å; G73-N105 WeakPolarHBondContact O-CB 3.36Å; D74-N105 PolarHBondContact OD1-ND2 3.12Å; I78-N105 HydrophobicContact CD1-CB 4.06Å; N105-I107 PolarHBondContact O-N 3.33Å; N105-I107 VanDerWaalsContact O-N 3.08Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.44Å; N105-I107 PolarHBondContact OD1-N 2.96Å; N105-G108 PolarHBondContact O-N 3.2Å; N105-G108 PolarHBondContact OD1-N 2.84Å; N105-G108 VanDerWaalsContact OD1-N 3.14Å; N105-L109 PolarHBondContact N-O 2.7Å; N105-L109 PolarHBondContact OD1-N 3.16Å | ||
| 106 | I | 90.8 | Very high | 89.6 | Confident | 123 Ų | 123 | 38.4 Ų | 38.4 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.9 | -174 | 70.5 | 170.5 | 0 | 0 | 0 | 114.3 | I71 T72 | I71-I106 WeakPolarHBondContact O-CD1 3.13Å; T72-I106 WeakPolarHBondContact O-CG1 3.3Å; T72-I106 PolarHBondContact O-N 3.1Å; T72-I106 VanDerWaalsContact O-N 3.08Å |
| 107 | I | 88.3 | Confident | 89.5 | Confident | 124 Ų | 124 | 39.2 Ų | 39.2 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 9 | 179.6 | 58.2 | 163.6 | 0 | 0 | 0 | 112.3 | N105 L109 | N105-I107 PolarHBondContact O-N 3.33Å; N105-I107 VanDerWaalsContact O-N 3.08Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.44Å; N105-I107 PolarHBondContact OD1-N 2.96Å; I107-L109 HydrophobicContact CD1-CD1 3.61Å; I107-L109 HydrophobicContact CD1-CG 3.77Å; I107-L109 HydrophobicContact CG1-CD1 4.19Å; I107-L109 HydrophobicContact CG1-CG 3.89Å |
| 108 | G | 85.2 | Confident | 89.6 | Confident | 26 Ų | 26 | 37 Ų | 37 | 27% | 0.268 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 85.5 | 11.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S104 N105 G170 | S104-G108 VanDerWaalsContact OG-C 3.3Å; S104-G108 VanDerWaalsContact OG-CA 3.24Å; S104-G108 WeakPolarHBondContact OG-CA 3.46Å; N105-G108 PolarHBondContact O-N 3.2Å; N105-G108 PolarHBondContact OD1-N 2.84Å; N105-G108 VanDerWaalsContact OD1-N 3.14Å; G108-G170 WeakPolarHBondContact O-CA 3.41Å |
| 109 | L | 88.8 | Confident | 90 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | trans | -79.5 | 131.5 | 175.3 | -59 | -178.7 | 0 | 0 | 0 | 110.3 | I78 S104 N105 I107 | I78-L109 VanDerWaalsContact CD1-O 3.27Å; I78-L109 WeakPolarHBondContact CD1-O 3.37Å; S104-L109 WeakPolarHBondContact CA-O 3.27Å; N105-L109 PolarHBondContact N-O 2.7Å; N105-L109 PolarHBondContact OD1-N 3.16Å; I107-L109 HydrophobicContact CD1-CD1 3.61Å; I107-L109 HydrophobicContact CD1-CG 3.77Å; I107-L109 HydrophobicContact CG1-CD1 4.19Å; I107-L109 HydrophobicContact CG1-CG 3.89Å | ||
| 110 | T | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -120.7 | 167.5 | 173.4 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | I112 T113 Q114 G170 | T110-I112 PolarHBondContact O-N 2.75Å; T110-I112 PolarHBondContact OG1-N 3.27Å; T110-T113 PolarHBondContact N-OG1 3.32Å; T110-T113 PolarHBondContact O-N 3.29Å; T110-T113 VanDerWaalsContact O-N 3.14Å; T110-T113 PolarHBondContact O-OG1 3.03Å; T110-T113 PolarHBondContact OG1-N 3.25Å; T110-T113 VanDerWaalsContact OG1-N 3.14Å; T110-Q114 WeakPolarHBondContact O-CG 3.46Å; T110-Q114 PolarHBondContact O-N 3.17Å; T110-Q114 VanDerWaalsContact O-N 3.12Å; T110-G170 WeakPolarHBondContact CG2-O 3.45Å; T110-G170 PolarHBondContact OG1-O 2.69Å |
| 111 | A | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.2 | -37.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L77 Q114 L115 L129 | L77-A111 HydrophobicContact CD2-CB 3.73Å; L77-A111 HydrophobicContact CG-CB 3.77Å; A111-Q114 PolarHBondContact O-N 3.35Å; A111-L115 WeakPolarHBondContact O-CB 3.31Å; A111-L115 VanDerWaalsContact O-CG 3.27Å; A111-L115 WeakPolarHBondContact O-CG 3.12Å; A111-L115 PolarHBondContact O-N 2.66Å; A111-L129 HydrophobicContact CB-CD2 3.65Å |
| 112 | I | 90.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -50.7 | 175.7 | -62.1 | 180 | 0 | 0 | 0 | 110.3 | F102 T110 Q114 L115 L116 L129 L133 V173 | F102-I112 HydrophobicContact CD1-CD1 3.79Å; F102-I112 HydrophobicContact CD1-CG1 4.33Å; F102-I112 HydrophobicContact CE1-CD1 3.86Å; F102-I112 HydrophobicContact CE1-CG1 4.41Å; T110-I112 PolarHBondContact O-N 2.75Å; T110-I112 PolarHBondContact OG1-N 3.27Å; I112-Q114 VanDerWaalsContact C-N 3.27Å; I112-Q114 PolarHBondContact O-N 3.08Å; I112-L115 PolarHBondContact O-N 3.38Å; I112-L116 HydrophobicContact CG2-CD1 3.81Å; I112-L116 HydrophobicContact CG2-CG 4.23Å; I112-L116 WeakPolarHBondContact O-CB 3.37Å; I112-L116 WeakPolarHBondContact O-CG 3.25Å; I112-L116 PolarHBondContact O-N 3.09Å; I112-L129 HydrophobicContact CB-CD2 4.39Å; I112-L129 HydrophobicContact CG1-CD2 3.47Å; I112-L129 VanDerWaalsContact CG1-CD2 3.47Å; I112-L129 HydrophobicContact CG1-CG 4.09Å; I112-L133 HydrophobicContact CD1-CD1 4.37Å; I112-V173 HydrophobicContact CD1-CG1 3.75Å; I112-V173 HydrophobicContact CG2-CG1 4.42Å |
| 113 | T | 90.2 | Very high | 90.5 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -40.2 | -178.7 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | T110 C117 G170 | T110-T113 PolarHBondContact N-OG1 3.32Å; T110-T113 PolarHBondContact O-N 3.29Å; T110-T113 VanDerWaalsContact O-N 3.14Å; T110-T113 PolarHBondContact O-OG1 3.03Å; T110-T113 PolarHBondContact OG1-N 3.25Å; T110-T113 VanDerWaalsContact OG1-N 3.14Å; T113-C117 WeakPolarHBondContact O-CB 3.34Å; T113-C117 PolarHBondContact O-N 3.28Å; T113-G170 VanDerWaalsContact CG2-O 3.28Å; T113-G170 WeakPolarHBondContact CG2-O 3.25Å |
| 114 | Q | 93.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.6 | -43.6 | -179.4 | -63.8 | -44.7 | -58.9 | 0 | 0 | 112 | I78 C81 N82 T110 A111 I112 L116 C117 R118 | I78-Q114 HydrophobicContact CG2-CG 4.21Å; C81-Q114 HydrophobicContact CB-CB 3.65Å; C81-Q114 HydrophobicContact CB-CG 4.48Å; N82-Q114 HydrophobicContact CB-CG 4.21Å; N82-Q114 PolarHBondContact OD1-OE1 2.8Å; N82-Q114 VanDerWaalsContact OD1-OE1 3.1Å; T110-Q114 WeakPolarHBondContact O-CG 3.46Å; T110-Q114 PolarHBondContact O-N 3.17Å; T110-Q114 VanDerWaalsContact O-N 3.12Å; A111-Q114 PolarHBondContact O-N 3.35Å; I112-Q114 VanDerWaalsContact C-N 3.27Å; I112-Q114 PolarHBondContact O-N 3.08Å; Q114-L116 VanDerWaalsContact C-N 3.35Å; Q114-L116 PolarHBondContact O-N 2.96Å; Q114-C117 PolarHBondContact O-N 2.8Å; Q114-R118 PolarHBondContact O-N 3.2Å; Q114-R118 VanDerWaalsContact O-N 3.1Å |
| 115 | L | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -34 | 177.6 | -70.4 | 176.4 | 0 | 0 | 0 | 112.6 | C81 T89 A111 I112 A119 H120 C125 L126 L129 | C81-L115 HydrophobicContact CB-CD2 3.98Å; C81-L115 HydrophobicContact CB-CG 3.89Å; T89-L115 HydrophobicContact CG2-CD2 4.44Å; A111-L115 WeakPolarHBondContact O-CB 3.31Å; A111-L115 VanDerWaalsContact O-CG 3.27Å; A111-L115 WeakPolarHBondContact O-CG 3.12Å; A111-L115 PolarHBondContact O-N 2.66Å; I112-L115 PolarHBondContact O-N 3.38Å; L115-A119 PolarHBondContact O-N 3.07Å; L115-H120 HydrophobicContact CB-CB 4.12Å; L115-H120 HydrophobicContact CD2-CB 3.79Å; L115-H120 PolarHBondContact O-N 3.41Å; L115-C125 HydrophobicContact CD1-CB 3.96Å; L115-C125 HydrophobicContact CD2-CB 3.89Å; L115-L126 HydrophobicContact CB-CD2 3.37Å; L115-L126 HydrophobicContact CB-CG 3.76Å; L115-L126 HydrophobicContact CD1-CD2 4.15Å; L115-L126 HydrophobicContact CD1-CG 4.44Å; L115-L126 HydrophobicContact CG-CD2 4.42Å; L115-L129 HydrophobicContact CD1-CD2 4.14Å |
| 116 | L | 91.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -50 | 171.8 | -80.1 | 176.9 | 0 | 0 | 0 | 111.6 | I112 Q114 R118 A119 L126 F175 L180 V195 W199 | I112-L116 HydrophobicContact CG2-CD1 3.81Å; I112-L116 HydrophobicContact CG2-CG 4.23Å; I112-L116 WeakPolarHBondContact O-CB 3.37Å; I112-L116 WeakPolarHBondContact O-CG 3.25Å; I112-L116 PolarHBondContact O-N 3.09Å; Q114-L116 VanDerWaalsContact C-N 3.35Å; Q114-L116 PolarHBondContact O-N 2.96Å; L116-R118 PolarHBondContact O-N 2.88Å; L116-R118 VanDerWaalsContact O-N 3.14Å; L116-A119 PolarHBondContact O-N 3.06Å; L116-L126 HydrophobicContact CD2-CD1 4.13Å; L116-L126 HydrophobicContact CD2-CD2 4.46Å; L116-L126 HydrophobicContact CG-CD2 4.28Å; L116-F175 HydrophobicContact CD1-CE2 3.97Å; L116-L180 HydrophobicContact CD2-CD1 3.79Å; L116-V195 HydrophobicContact CD2-CG1 3.63Å; L116-W199 HydrophobicContact CD1-CH2 4.4Å; L116-W199 HydrophobicContact CD1-CZ2 4.17Å; L116-W199 HydrophobicContact CD2-CH2 3.57Å; L116-W199 HydrophobicContact CD2-CZ2 3.89Å; L116-W199 HydrophobicContact CD2-CZ3 3.93Å; L116-W199 HydrophobicContact CG-CH2 4.17Å; L116-W199 HydrophobicContact CG-CZ2 4.42Å |
| 117 | C | 91.7 | Very high | 90.6 | Very high | 40 Ų | 40 | 33 Ų | 33 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -50.3 | -41.8 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | T113 Q114 R183 K185 | T113-C117 WeakPolarHBondContact O-CB 3.34Å; T113-C117 PolarHBondContact O-N 3.28Å; Q114-C117 PolarHBondContact O-N 2.8Å; C117-R183 VanDerWaalsContact CA-O 3.28Å; C117-R183 WeakPolarHBondContact CA-O 3.37Å; C117-K185 CarbonylContact O-C 3.6Å; C117-K185 WeakPolarHBondContact O-CA 3.35Å; C117-K185 PolarHBondContact O-N 3.18Å; C117-K185 VanDerWaalsContact SG-CG 3.55Å |
| 118 | R | 92.6 | Very high | 90.6 | Very high | 98 Ų | 98 | 28.7 Ų | 28.7 | 37% | 0.37 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.2 | -179.9 | -63.5 | 179.1 | 73.8 | 76.8 | -5.5 | 114.3 | C81 N82 E83 Q114 L116 H120 R191 | C81-R118 WeakPolarHBondContact O-CD 3.26Å; N82-R118 WeakPolarHBondContact O-CD 3.34Å; N82-R118 PolarHBondContact O-NE 3.13Å; N82-R118 PolarHBondContact O-NH1 2.92Å; E83-R118 PolarHBondContact O-NH2 2.96Å; Q114-R118 PolarHBondContact O-N 3.2Å; Q114-R118 VanDerWaalsContact O-N 3.1Å; L116-R118 PolarHBondContact O-N 2.88Å; L116-R118 VanDerWaalsContact O-N 3.14Å; R118-H120 VanDerWaalsContact CB-CD2 3.45Å; R118-H120 WeakPolarHBondContact CB-CD2 3.35Å; R118-R191 PolarHBondContact O-NE 3.05Å; R118-R191 PolarHBondContact O-NH1 3.18Å; R118-R191 PolarHBondContact O-NH2 3.1Å |
| 119 | A | 91 | Very high | 90.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 60.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L115 L116 G121 I184 R191 V195 | L115-A119 PolarHBondContact O-N 3.07Å; L116-A119 PolarHBondContact O-N 3.06Å; A119-G121 VanDerWaalsContact C-N 3.27Å; A119-G121 PolarHBondContact O-N 3.08Å; A119-I184 HydrophobicContact CB-CG2 3.8Å; A119-R191 HydrophobicContact CB-CB 3.61Å; A119-R191 PolarHBondContact O-NE 3.16Å; A119-V195 HydrophobicContact CB-CG2 3.97Å |
| 120 | H | 90.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | trans | -85.8 | 35 | 177.5 | -79.9 | -96.6 | 0 | 0 | 0 | 114.5 | C86 L115 R118 C123 C125 L126 | C86-H120 PolarHBondContact SG-CE1 3.45Å; C86-H120 PolarHBondContact SG-ND1 3.5Å; C86-H120 VanDerWaalsContact SG-ND1 3.35Å; L115-H120 HydrophobicContact CB-CB 4.12Å; L115-H120 HydrophobicContact CD2-CB 3.79Å; L115-H120 PolarHBondContact O-N 3.41Å; R118-H120 VanDerWaalsContact CB-CD2 3.45Å; R118-H120 WeakPolarHBondContact CB-CD2 3.35Å; H120-C123 VanDerWaalsContact CB-SG 3.53Å; H120-C123 PolarHBondContact ND1-SG 3.35Å; H120-C123 PolarHBondContact O-SG 3.41Å; H120-C123 VanDerWaalsContact O-SG 3.32Å; H120-C125 HydrophobicContact CB-CB 4.31Å; H120-L126 HydrophobicContact CB-CD1 4.37Å; H120-L126 HydrophobicContact CB-CG 4.25Å | ||
| 121 | G | 85 | Confident | 90.3 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -68.9 | -42.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | A119 S194 | A119-G121 VanDerWaalsContact C-N 3.27Å; A119-G121 PolarHBondContact O-N 3.08Å; G121-S194 VanDerWaalsContact CA-OG 3.26Å; G121-S194 WeakPolarHBondContact CA-OG 3.5Å |
| 122 | A | 90.6 | Very high | 89.8 | Confident | 83 Ų | 83 | 33.7 Ų | 33.7 | 69% | 0.686 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S194 | A122-S194 PolarHBondContact N-OG 3.44Å; A122-S194 VanDerWaalsContact N-OG 3.08Å |
| 123 | C | 92.9 | Very high | 89.1 | Confident | 34 Ų | 34 | 34.7 Ų | 34.7 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5 | -174.5 | 71.4 | 0 | 0 | 0 | 0 | 113.5 | C86 K90 H120 C125 | C86-C123 VanDerWaalsContact SG-SG 3.64Å; K90-C123 WeakPolarHBondContact CE-O 3.33Å; K90-C123 PolarHBondContact NZ-O 2.93Å; H120-C123 VanDerWaalsContact CB-SG 3.53Å; H120-C123 PolarHBondContact ND1-SG 3.35Å; H120-C123 PolarHBondContact O-SG 3.41Å; H120-C123 VanDerWaalsContact O-SG 3.32Å; C123-C125 PolarHBondContact O-N 2.9Å; C123-C125 VanDerWaalsContact O-N 3.1Å |
| 124 | N | 89 | Confident | 87.9 | Confident | 75 Ų | 75 | 36.9 Ų | 36.9 | 40% | 0.401 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 62 | 2.1 | -175.7 | -51.9 | -3.2 | 0 | 0 | 0 | 115.6 | L126 E127 S128 | N124-L126 PolarHBondContact O-N 3.2Å; N124-E127 HydrophobicContact CB-CB 4.46Å; N124-E127 PolarHBondContact O-N 3.18Å; N124-S128 WeakPolarHBondContact O-CB 3.45Å; N124-S128 PolarHBondContact O-N 2.88Å; N124-S128 PolarHBondContact O-OG 3.02Å |
| 125 | C | 94.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.6 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | T89 L115 H120 C123 L129 | T89-C125 HydrophobicContact CG2-CB 4.27Å; L115-C125 HydrophobicContact CD1-CB 3.96Å; L115-C125 HydrophobicContact CD2-CB 3.89Å; H120-C125 HydrophobicContact CB-CB 4.31Å; C123-C125 PolarHBondContact O-N 2.9Å; C123-C125 VanDerWaalsContact O-N 3.1Å; C125-L129 PolarHBondContact O-N 3.49Å; C125-L129 VanDerWaalsContact O-N 3.16Å |
| 126 | L | 90.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 174.3 | -79.2 | 170.7 | 0 | 0 | 0 | 111.1 | L115 L116 H120 N124 S128 L129 L130 V195 L198 W199 | L115-L126 HydrophobicContact CB-CD2 3.37Å; L115-L126 HydrophobicContact CB-CG 3.76Å; L115-L126 HydrophobicContact CD1-CD2 4.15Å; L115-L126 HydrophobicContact CD1-CG 4.44Å; L115-L126 HydrophobicContact CG-CD2 4.42Å; L116-L126 HydrophobicContact CD2-CD1 4.13Å; L116-L126 HydrophobicContact CD2-CD2 4.46Å; L116-L126 HydrophobicContact CG-CD2 4.28Å; H120-L126 HydrophobicContact CB-CD1 4.37Å; H120-L126 HydrophobicContact CB-CG 4.25Å; N124-L126 PolarHBondContact O-N 3.2Å; L126-S128 PolarHBondContact O-N 3.1Å; L126-L129 PolarHBondContact O-N 2.93Å; L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.47Å; L126-L130 PolarHBondContact O-N 3.05Å; L126-V195 HydrophobicContact CD1-CG2 4.12Å; L126-L198 HydrophobicContact CB-CD2 3.57Å; L126-W199 HydrophobicContact CB-CZ3 4.43Å; L126-W199 HydrophobicContact CD1-CH2 4.45Å; L126-W199 HydrophobicContact CD1-CZ3 4.01Å; L126-W199 HydrophobicContact CD2-CH2 4.15Å; L126-W199 HydrophobicContact CD2-CZ3 4.44Å |
| 127 | E | 88.5 | Confident | 82.2 | Confident | 100 Ų | 100 | 47 Ų | 47 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | -179.8 | -173.6 | 176.7 | 178.7 | 0 | 0 | 112.1 | N124 L129 L130 S131 L198 | N124-E127 HydrophobicContact CB-CB 4.46Å; N124-E127 PolarHBondContact O-N 3.18Å; E127-L129 VanDerWaalsContact C-N 3.34Å; E127-L129 PolarHBondContact O-N 3Å; E127-L130 PolarHBondContact O-N 3.35Å; E127-S131 PolarHBondContact O-N 3.47Å; E127-L198 HydrophobicContact CB-CD1 4.07Å; E127-L198 HydrophobicContact CB-CD2 4.29Å; E127-L198 HydrophobicContact CG-CD1 4.2Å |
| 128 | S | 88.6 | Confident | 80.2 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.3 | -50.4 | 174.3 | -67.8 | 0 | 0 | 0 | 0 | 110.6 | N124 L126 L130 S131 H132 | N124-S128 WeakPolarHBondContact O-CB 3.45Å; N124-S128 PolarHBondContact O-N 2.88Å; N124-S128 PolarHBondContact O-OG 3.02Å; L126-S128 PolarHBondContact O-N 3.1Å; S128-L130 PolarHBondContact O-N 3.42Å; S128-S131 WeakPolarHBondContact O-CB 3.28Å; S128-S131 PolarHBondContact O-N 3.1Å; S128-S131 PolarHBondContact O-OG 3.11Å; S128-H132 PolarHBondContact O-CD2 3.5Å |
| 129 | L | 88.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -44 | -179.5 | -171.4 | 58.4 | 0 | 0 | 0 | 112.6 | I93 L101 F102 A111 I112 L115 C125 L126 E127 S131 H132 | I93-L129 HydrophobicContact CD1-CB 4.2Å; L101-L129 HydrophobicContact CB-CD1 3.8Å; L101-L129 HydrophobicContact CD1-CD1 4.46Å; L101-L129 HydrophobicContact CD2-CD1 4.41Å; L101-L129 HydrophobicContact CG-CD1 4.46Å; F102-L129 HydrophobicContact CD1-CD1 4.43Å; F102-L129 HydrophobicContact CE1-CD1 3.86Å; F102-L129 HydrophobicContact CE1-CG 3.89Å; F102-L129 HydrophobicContact CZ-CD1 4.2Å; F102-L129 WeakPolarHBondContact CZ-O 3.34Å; A111-L129 HydrophobicContact CB-CD2 3.65Å; I112-L129 HydrophobicContact CB-CD2 4.39Å; I112-L129 HydrophobicContact CG1-CD2 3.47Å; I112-L129 VanDerWaalsContact CG1-CD2 3.47Å; I112-L129 HydrophobicContact CG1-CG 4.09Å; L115-L129 HydrophobicContact CD1-CD2 4.14Å; C125-L129 PolarHBondContact O-N 3.49Å; C125-L129 VanDerWaalsContact O-N 3.16Å; L126-L129 PolarHBondContact O-N 2.93Å; E127-L129 VanDerWaalsContact C-N 3.34Å; E127-L129 PolarHBondContact O-N 3Å; L129-S131 PolarHBondContact O-N 3.16Å; L129-H132 PolarHBondContact O-N 2.75Å |
| 130 | L | 85.1 | Confident | 75.7 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 178.1 | -69 | 175.5 | 0 | 0 | 0 | 112.3 | L126 E127 S128 H132 L133 V173 L198 W199 L204 | L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.47Å; L126-L130 PolarHBondContact O-N 3.05Å; E127-L130 PolarHBondContact O-N 3.35Å; S128-L130 PolarHBondContact O-N 3.42Å; L130-H132 PolarHBondContact O-N 3.26Å; L130-L133 HydrophobicContact CD2-CD1 3.52Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 2.65Å; L130-V173 HydrophobicContact CD2-CB 4.43Å; L130-V173 HydrophobicContact CD2-CG1 3.78Å; L130-L198 HydrophobicContact CD1-CD2 4.22Å; L130-L198 HydrophobicContact CD1-CG 4.35Å; L130-W199 HydrophobicContact CD1-CE3 4.39Å; L130-W199 HydrophobicContact CD1-CH2 3.75Å; L130-W199 HydrophobicContact CD1-CZ2 4.41Å; L130-W199 HydrophobicContact CD1-CZ3 3.74Å; L130-W199 HydrophobicContact CD2-CH2 4.24Å; L130-W199 HydrophobicContact CD2-CZ2 4.47Å; L130-W199 HydrophobicContact CG-CH2 4.4Å; L130-L204 HydrophobicContact CD1-CD1 4.06Å; L130-L204 HydrophobicContact CD2-CD1 4.25Å |
| 131 | S | 84.4 | Confident | 73.3 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 63% | 0.629 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.1 | 177.9 | 80 | 0 | 0 | 0 | 0 | 113.7 | E127 S128 L129 | E127-S131 PolarHBondContact O-N 3.47Å; S128-S131 WeakPolarHBondContact O-CB 3.28Å; S128-S131 PolarHBondContact O-N 3.1Å; S128-S131 PolarHBondContact O-OG 3.11Å; L129-S131 PolarHBondContact O-N 3.16Å |
| 132 | H | 83.4 | Confident | 71.3 | Confident | 74 Ų | 74 | 52 Ų | 52 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.6 | 174.6 | -64.8 | -85.6 | 0 | 0 | 0 | 113.7 | L101 F102 S128 L129 L130 | L101-H132 HydrophobicContact CD1-CB 3.63Å; L101-H132 VanDerWaalsContact CD1-CG 3.44Å; F102-H132 HydrophobicContact CE2-CB 4.07Å; F102-H132 HydrophobicContact CZ-CB 3.94Å; S128-H132 PolarHBondContact O-CD2 3.5Å; L129-H132 PolarHBondContact O-N 2.75Å; L130-H132 PolarHBondContact O-N 3.26Å |
| 133 | L | 75.6 | Confident | 68.7 | Low | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -76.9 | 130.5 | 175.4 | -72.5 | 171.5 | 0 | 0 | 0 | 110.6 | F102 I112 L130 L135 F165 V173 | F102-L133 HydrophobicContact CD1-CD2 3.73Å; F102-L133 HydrophobicContact CD1-CG 4.46Å; F102-L133 HydrophobicContact CD2-CD2 4.23Å; F102-L133 HydrophobicContact CE1-CD1 4.34Å; F102-L133 HydrophobicContact CE1-CD2 3.3Å; F102-L133 HydrophobicContact CE1-CG 3.58Å; F102-L133 HydrophobicContact CE2-CD2 3.85Å; F102-L133 HydrophobicContact CE2-CG 4.35Å; F102-L133 HydrophobicContact CG-CD2 4.17Å; F102-L133 HydrophobicContact CZ-CB 4.42Å; F102-L133 HydrophobicContact CZ-CD2 3.37Å; F102-L133 HydrophobicContact CZ-CG 3.51Å; I112-L133 HydrophobicContact CD1-CD1 4.37Å; L130-L133 HydrophobicContact CD2-CD1 3.52Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 2.65Å; L133-L135 PolarHBondContact O-N 3.28Å; L133-F165 HydrophobicContact CD2-CZ 4.43Å; L133-V173 HydrophobicContact CD1-CB 4.42Å; L133-V173 HydrophobicContact CD1-CG1 3.67Å; L133-V173 HydrophobicContact CD1-CG2 4.07Å |
| 134 | C | 64.9 | Low | 66 | Low | 73 Ų | 73 | 56.4 Ų | 56.4 | 49% | 0.493 | 32% | 0.323 | S | S | . | . | trans | -69.4 | 112.5 | 161.2 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | C136 S137 A138 | C134-C136 PolarHBondContact O-N 3.12Å; C134-C136 VanDerWaalsContact O-N 3.13Å; C134-S137 WeakPolarHBondContact O-CA 3.23Å; C134-S137 VanDerWaalsContact O-CB 3.31Å; C134-S137 WeakPolarHBondContact O-CB 3.47Å; C134-S137 PolarHBondContact O-N 3.37Å; C134-A138 PolarHBondContact O-N 3.07Å | ||
| 135 | L | 55.7 | Low | 63.6 | Low | 105 Ų | 105 | 56.8 Ų | 56.8 | 55% | 0.55 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.8 | -30.5 | -177.4 | -74 | 172.3 | 0 | 0 | 0 | 112.5 | L133 S137 A138 L139 | L133-L135 PolarHBondContact O-N 3.28Å; L135-S137 PolarHBondContact O-N 3.18Å; L135-A138 PolarHBondContact O-N 3.12Å; L135-A138 VanDerWaalsContact O-N 3.09Å; L135-L139 HydrophobicContact CB-CD1 4.42Å; L135-L139 VanDerWaalsContact O-CB 3.25Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3.08Å |
| 136 | C | 52.2 | Low | 60.9 | Low | 87 Ų | 87 | 63.9 Ų | 63.9 | 59% | 0.588 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -55.6 | -40.8 | 173.1 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | C134 L140 | C134-C136 PolarHBondContact O-N 3.12Å; C134-C136 VanDerWaalsContact O-N 3.13Å; C136-L140 WeakPolarHBondContact O-CD1 3.46Å; C136-L140 VanDerWaalsContact O-CG 3.25Å; C136-L140 WeakPolarHBondContact O-CG 3.26Å; C136-L140 PolarHBondContact O-N 3.44Å |
| 137 | S | 50.3 | Low | 57.9 | Low | 37 Ų | 37 | 69.2 Ų | 69.2 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.4 | -41.5 | 175.2 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | C134 L135 R145 | C134-S137 WeakPolarHBondContact O-CA 3.23Å; C134-S137 VanDerWaalsContact O-CB 3.31Å; C134-S137 WeakPolarHBondContact O-CB 3.47Å; C134-S137 PolarHBondContact O-N 3.37Å; L135-S137 PolarHBondContact O-N 3.18Å; S137-R145 PolarHBondContact O-NH2 3.44Å |
| 138 | A | 50.8 | Low | 55.1 | Low | 12 Ų | 12 | 69.3 Ų | 69.3 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.6 | -37.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C134 L135 V173 L174 | C134-A138 PolarHBondContact O-N 3.07Å; L135-A138 PolarHBondContact O-N 3.12Å; L135-A138 VanDerWaalsContact O-N 3.09Å; A138-V173 HydrophobicContact CB-CG2 3.52Å; A138-L174 WeakPolarHBondContact O-CD1 3.18Å; A138-L174 VanDerWaalsContact O-CG 3.27Å; A138-L174 WeakPolarHBondContact O-CG 3.45Å |
| 139 | L | 49.3 | Very low | 52.4 | Low | 56 Ų | 56 | 77.3 Ų | 77.3 | 29% | 0.293 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -84.1 | -24.9 | -170.4 | -70.8 | -177.7 | 0 | 0 | 0 | 114.1 | L135 P141 L174 L221 | L135-L139 HydrophobicContact CB-CD1 4.42Å; L135-L139 VanDerWaalsContact O-CB 3.25Å; L135-L139 WeakPolarHBondContact O-CB 3.44Å; L135-L139 WeakPolarHBondContact O-CG 3.27Å; L135-L139 PolarHBondContact O-N 3.08Å; L139-P141 WeakPolarHBondContact O-CD 3.32Å; L139-L174 HydrophobicContact CD2-CD2 4.28Å; L139-L221 HydrophobicContact CB-CD1 3.94Å; L139-L221 HydrophobicContact CD2-CD1 3.98Å; L139-L221 HydrophobicContact CD2-CD2 3.79Å; L139-L221 HydrophobicContact CD2-CG 4.46Å; L139-L221 HydrophobicContact CG-CD1 4.4Å; L139-L221 WeakPolarHBondContact O-CD1 3.35Å |
| 140 | L | 39.6 | Very low | 49.5 | Very low | 77 Ų | 77 | 83.5 Ų | 83.5 | 40% | 0.403 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -72.4 | 116.1 | 179.9 | -73.5 | 169 | 0 | 0 | 0 | 109.9 | C136 V142 | C136-L140 WeakPolarHBondContact O-CD1 3.46Å; C136-L140 VanDerWaalsContact O-CG 3.25Å; C136-L140 WeakPolarHBondContact O-CG 3.26Å; C136-L140 PolarHBondContact O-N 3.44Å; L140-V142 PolarHBondContact O-N 2.75Å |
| 141 | P | 39.4 | Very low | 46.7 | Very low | 36 Ų | 36 | 93.2 Ų | 93.2 | 23% | 0.234 | 49% | 0.49 | C | S | . | . | trans | -50.5 | 141.5 | 168.5 | -20.6 | 30.6 | 0 | 0 | 0 | 110.5 | L139 D143 L144 | L139-P141 WeakPolarHBondContact O-CD 3.32Å; P141-D143 PolarHBondContact O-N 3.48Å; P141-D143 VanDerWaalsContact O-N 3.09Å; P141-L144 HydrophobicContact CG-CD1 4.25Å; P141-L144 PolarHBondContact O-N 3.42Å | ||
| 142 | V | 44.7 | Very low | 43.9 | Very low | 77 Ų | 77 | 93.4 Ų | 93.4 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -51.6 | -35.9 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | L140 L144 R145 | L140-V142 PolarHBondContact O-N 2.75Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 3.32Å; V142-R145 PolarHBondContact O-N 2.79Å |
| 143 | D | 36.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 98 Ų | 98 | 65% | 0.647 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -30.8 | 178.3 | -65.7 | -35.9 | 0 | 0 | 0 | 113.7 | P141 | P141-D143 PolarHBondContact O-N 3.48Å; P141-D143 VanDerWaalsContact O-N 3.09Å |
| 144 | L | 35.1 | Very low | 38.8 | Very low | 88 Ų | 88 | 103 Ų | 103 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -81.3 | -17.7 | 178.5 | -72.5 | -179.4 | 0 | 0 | 0 | 113 | P141 V142 | P141-L144 HydrophobicContact CG-CD1 4.25Å; P141-L144 PolarHBondContact O-N 3.42Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 3.32Å |
| 145 | R | 38.2 | Very low | 37 | Very low | 84 Ų | 84 | 104.9 Ų | 104.9 | 32% | 0.317 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.2 | -28.9 | 174.7 | -62.6 | -171 | -167.1 | 159 | 2.8 | 112.5 | S137 V142 N147 F165 | S137-R145 PolarHBondContact O-NH2 3.44Å; V142-R145 PolarHBondContact O-N 2.79Å; R145-N147 VanDerWaalsContact C-N 3.28Å; R145-N147 PolarHBondContact O-N 3.29Å; R145-F165 WeakPolarHBondContact CD-O 3.22Å; R145-F165 PolarHBondContact NH1-O 3.47Å |
| 146 | K | 38.4 | Very low | 35.5 | Very low | 149 Ų | 149 | 107.9 Ų | 107.9 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -76.2 | -13.2 | 178.5 | -72.9 | -176.5 | 178.1 | 175.1 | 0 | 113.7 | S148 | K146-S148 PolarHBondContact O-N 3.14Š|
| 147 | N | 27.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 111.4 Ų | 111.4 | 60% | 0.599 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -88.1 | 99.8 | 172.7 | -87.1 | -10.5 | 0 | 0 | 0 | 110 | R145 Y149 | R145-N147 VanDerWaalsContact C-N 3.28Å; R145-N147 PolarHBondContact O-N 3.29Å; N147-Y149 PolarHBondContact O-N 2.77Å |
| 148 | S | 29.5 | Very low | 33.4 | Very low | 102 Ų | 102 | 116.7 Ų | 116.7 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | trans | -66.6 | 41.7 | -177.4 | 44 | 0 | 0 | 0 | 0 | 116.1 | K146 | K146-S148 PolarHBondContact O-N 3.14Š| ||
| 149 | Y | 30.7 | Very low | 32.1 | Very low | 200 Ų | 200 | 122.3 Ų | 122.3 | 78% | 0.784 | 63% | 0.632 | S | S | * | * | trans | -139.8 | 31.5 | 179.5 | -63.4 | -72.9 | 0 | 0 | 0 | 115.8 | N147 R151 | N147-Y149 PolarHBondContact O-N 2.77Å; Y149-R151 PolarHBondContact O-N 3.03Å | ||
| 150 | T | 28.7 | Very low | 31.2 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 66% | 0.657 | S | S | * | * | trans | -75 | 66.4 | 159.6 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 151 | R | 25.9 | Very low | 30.9 | Very low | 226 Ų | 226 | 128.7 Ų | 128.7 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | trans | -85.8 | 136.1 | 162.1 | -156.6 | 178.6 | -159.8 | 174.2 | 5.3 | 106.5 | Y149 | Y149-R151 PolarHBondContact O-N 3.03Š| ||
| 152 | S | 24.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | trans | 85.6 | 56.5 | 177.1 | -60.3 | 0 | 0 | 0 | 0 | 117.8 | N154 | S152-N154 VanDerWaalsContact C-N 3.31Š| ||
| 153 | L | 27.7 | Very low | 29.9 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 89% | 0.89 | 70% | 0.704 | S | S | * | * | trans | -90.9 | 84.7 | 131 | -102.1 | 148.1 | 0 | 0 | 0 | 106.4 | ||||
| 154 | N | 26.1 | Very low | 30 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | trans | -61.6 | 144.8 | 167.2 | -74.9 | -28 | 0 | 0 | 0 | 108.5 | S152 | S152-N154 VanDerWaalsContact C-N 3.31Š| ||
| 155 | S | 25.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 100.7 | 99.4 | 168.1 | -36.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 156 | M | 24.5 | Very low | 30.5 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 83% | 0.833 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 60.1 | 111.4 | 135.7 | -122.7 | 147.3 | 162.3 | 0 | 0 | 117.2 | ||
| 157 | E | 28.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | 84 | 22.5 | 150.6 | -57.8 | -178.7 | 167.5 | 0 | 0 | 120.8 | L159 | E157-L159 PolarHBondContact O-N 3.1Å; E157-L159 VanDerWaalsContact O-N 3.09Å | ||
| 158 | L | 29.8 | Very low | 31.5 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | trans | -84.5 | 59.4 | 154.6 | -71.3 | 172.6 | 0 | 0 | 0 | 110.7 | H160 | L158-H160 PolarHBondContact O-N 2.97Š| ||
| 159 | L | 25.1 | Very low | 32.6 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | trans | -71.3 | 117.6 | 167.2 | -87 | 145.6 | 0 | 0 | 0 | 108 | E157 | E157-L159 PolarHBondContact O-N 3.1Å; E157-L159 VanDerWaalsContact O-N 3.09Å | ||
| 160 | H | 29 | Very low | 33.7 | Very low | 178 Ų | 178 | 123.5 Ų | 123.5 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 80.4 | 24.6 | 165.3 | -49.8 | -68 | 0 | 0 | 0 | 120.2 | L158 E162 | L158-H160 PolarHBondContact O-N 2.97Å; H160-E162 PolarHBondContact O-N 3.09Å |
| 161 | S | 33 | Very low | 35.3 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 62% | 0.622 | 61% | 0.611 | S | S | * | * | trans | -87.4 | 91.9 | 158.7 | -22.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 162 | E | 30 | Very low | 37.5 | Very low | 163 Ų | 163 | 110 Ų | 110 | 76% | 0.762 | 58% | 0.584 | S | S | * | * | trans | -52.5 | 145.6 | 163.1 | -92 | -168.5 | 141.6 | 0 | 0 | 109.6 | H160 L164 | H160-E162 PolarHBondContact O-N 3.09Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 2.68Å | ||
| 163 | P | 33.2 | Very low | 40.2 | Very low | 108 Ų | 108 | 105.7 Ų | 105.7 | 70% | 0.701 | 55% | 0.554 | S | S | * | * | trans | -69.1 | 86.1 | 179.9 | 29.3 | -32.5 | 0 | 0 | 0 | 109.4 | F165 | P163-F165 PolarHBondContact O-N 2.98Š| ||
| 164 | L | 39.3 | Very low | 42.7 | Very low | 91 Ų | 91 | 98.7 Ų | 98.7 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | trans | -65.4 | 3.6 | -171.6 | -96.8 | 166.5 | 0 | 0 | 0 | 115.8 | E162 | E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 2.68Å | ||
| 165 | F | 42.3 | Very low | 45.5 | Very low | 26 Ų | 26 | 92.7 Ų | 92.7 | 11% | 0.114 | 49% | 0.485 | C | S | . | . | trans | -150.7 | 68.9 | -165.9 | -50.1 | -78.4 | 0 | 0 | 0 | 114.5 | F102 L133 R145 P163 | F102-F165 HydrophobicContact CB-CE1 4.1Å; F102-F165 HydrophobicContact CB-CZ 4.38Å; F102-F165 HydrophobicContact CG-CZ 4.48Å; L133-F165 HydrophobicContact CD2-CZ 4.43Å; R145-F165 WeakPolarHBondContact CD-O 3.22Å; R145-F165 PolarHBondContact NH1-O 3.47Å; P163-F165 PolarHBondContact O-N 2.98Å | ||
| 166 | E | 40.5 | Very low | 48.4 | Very low | 140 Ų | 140 | 88.1 Ų | 88.1 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -89.3 | -24.8 | 173.6 | -87.1 | -169.4 | 168.5 | 0 | 0 | 115.3 | ||
| 167 | N | 40.3 | Very low | 51.3 | Low | 134 Ų | 134 | 82 Ų | 82 | 72% | 0.717 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -149.9 | 13.1 | 179.9 | -74.1 | -54.9 | 0 | 0 | 0 | 115.5 | E169 | N167-E169 PolarHBondContact O-N 3.36Å; N167-E169 VanDerWaalsContact O-N 3.15Å |
| 168 | D | 47.3 | Very low | 54.2 | Low | 42 Ų | 42 | 79.9 Ų | 79.9 | 23% | 0.225 | 42% | 0.418 | C | S | . | . | trans | -88.6 | 89.2 | -172.5 | -169.5 | 34.7 | 0 | 0 | 0 | 111.7 | S104 G170 S171 | S104-D168 VanDerWaalsContact CB-CG 3.41Å; S104-D168 WeakPolarHBondContact CB-OD1 3.42Å; S104-D168 VanDerWaalsContact CB-OD2 3.27Å; S104-D168 WeakPolarHBondContact CB-OD2 3.31Å; S104-D168 PolarHBondContact OG-OD1 3.42Å; D168-G170 PolarHBondContact O-N 3.19Å; D168-G170 VanDerWaalsContact O-N 3.1Å; D168-G170 PolarHBondContact OD1-N 2.99Å; D168-S171 PolarHBondContact O-N 3.15Å; D168-S171 VanDerWaalsContact O-N 3.09Å; D168-S171 PolarHBondContact OD2-OG 2.94Å | ||
| 169 | E | 52.2 | Low | 57 | Low | 151 Ų | 151 | 76.8 Ų | 76.8 | 71% | 0.706 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -53.4 | -25.8 | 170.6 | -69.2 | -167.5 | 171.1 | 0 | 0 | 112.1 | N167 S171 Q172 | N167-E169 PolarHBondContact O-N 3.36Å; N167-E169 VanDerWaalsContact O-N 3.15Å; E169-S171 PolarHBondContact O-N 3.33Å; E169-Q172 WeakPolarHBondContact O-CB 3.16Å; E169-Q172 PolarHBondContact O-N 3.31Å |
| 170 | G | 54.3 | Low | 60.1 | Low | 5 Ų | 5 | 70.6 Ų | 70.6 | 5% | 0.052 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -63.6 | -24.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G108 T110 T113 D168 | G108-G170 WeakPolarHBondContact O-CA 3.41Å; T110-G170 WeakPolarHBondContact CG2-O 3.45Å; T110-G170 PolarHBondContact OG1-O 2.69Å; T113-G170 VanDerWaalsContact CG2-O 3.28Å; T113-G170 WeakPolarHBondContact CG2-O 3.25Å; D168-G170 PolarHBondContact O-N 3.19Å; D168-G170 VanDerWaalsContact O-N 3.1Å; D168-G170 PolarHBondContact OD1-N 2.99Å |
| 171 | S | 61.9 | Low | 63 | Low | 11 Ų | 11 | 64.1 Ų | 64.1 | 8% | 0.077 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -102.6 | 9 | 180 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | F102 D168 E169 V173 | F102-S171 PolarHBondContact O-OG 3.4Å; D168-S171 PolarHBondContact O-N 3.15Å; D168-S171 VanDerWaalsContact O-N 3.09Å; D168-S171 PolarHBondContact OD2-OG 2.94Å; E169-S171 PolarHBondContact O-N 3.33Å; S171-V173 PolarHBondContact O-N 2.93Å |
| 172 | Q | 73.5 | Confident | 65.7 | Low | 62 Ų | 62 | 61.9 Ų | 61.9 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | trans | -64.1 | 134.1 | 173.1 | -173.7 | 179.8 | 7.8 | 0 | 0 | 110.3 | E169 L174 F175 | E169-Q172 WeakPolarHBondContact O-CB 3.16Å; E169-Q172 PolarHBondContact O-N 3.31Å; Q172-L174 PolarHBondContact NE2-O 2.95Å; Q172-F175 HydrophobicContact CB-CE1 3.98Å; Q172-F175 HydrophobicContact CB-CZ 4Å; Q172-F175 HydrophobicContact CG-CD1 4.26Å; Q172-F175 HydrophobicContact CG-CE1 3.6Å; Q172-F175 HydrophobicContact CG-CZ 3.98Å; Q172-F175 VanDerWaalsContact O-CE2 3.3Å; Q172-F175 WeakPolarHBondContact O-CE2 3.49Å; Q172-F175 WeakPolarHBondContact O-CZ 3.29Å | ||
| 173 | V | 79.8 | Confident | 68.5 | Low | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | trans | -123.8 | -16.8 | 175.2 | -64.8 | 0 | 0 | 0 | 0 | 114 | I112 L130 L133 A138 S171 F175 W199 L204 | I112-V173 HydrophobicContact CD1-CG1 3.75Å; I112-V173 HydrophobicContact CG2-CG1 4.42Å; L130-V173 HydrophobicContact CD2-CB 4.43Å; L130-V173 HydrophobicContact CD2-CG1 3.78Å; L133-V173 HydrophobicContact CD1-CB 4.42Å; L133-V173 HydrophobicContact CD1-CG1 3.67Å; L133-V173 HydrophobicContact CD1-CG2 4.07Å; A138-V173 HydrophobicContact CB-CG2 3.52Å; S171-V173 PolarHBondContact O-N 2.93Å; V173-F175 WeakPolarHBondContact O-CD2 3.44Å; V173-W199 PolarHBondContact O-NE1 3.13Å; V173-L204 HydrophobicContact CB-CD1 4.32Å; V173-L204 HydrophobicContact CG2-CD2 4.11Å | ||
| 174 | L | 80.9 | Confident | 71.3 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | trans | -83.2 | 115.9 | 172.2 | -73.2 | -179.7 | 0 | 0 | 0 | 110.9 | A138 L139 Q172 L204 | A138-L174 WeakPolarHBondContact O-CD1 3.18Å; A138-L174 VanDerWaalsContact O-CG 3.27Å; A138-L174 WeakPolarHBondContact O-CG 3.45Å; L139-L174 HydrophobicContact CD2-CD2 4.28Å; Q172-L174 PolarHBondContact NE2-O 2.95Å; L174-L204 WeakPolarHBondContact CA-O 3.36Å; L174-L204 HydrophobicContact CD2-CD2 4.25Å | ||
| 175 | F | 83.9 | Confident | 73.8 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -134.8 | 147.7 | -177.2 | -61.6 | -60.8 | 0 | 0 | 0 | 111.5 | L116 Q172 V173 Q179 L180 R183 W199 L204 L205 R206 | L116-F175 HydrophobicContact CD1-CE2 3.97Å; Q172-F175 HydrophobicContact CB-CE1 3.98Å; Q172-F175 HydrophobicContact CB-CZ 4Å; Q172-F175 HydrophobicContact CG-CD1 4.26Å; Q172-F175 HydrophobicContact CG-CE1 3.6Å; Q172-F175 HydrophobicContact CG-CZ 3.98Å; Q172-F175 VanDerWaalsContact O-CE2 3.3Å; Q172-F175 WeakPolarHBondContact O-CE2 3.49Å; Q172-F175 WeakPolarHBondContact O-CZ 3.29Å; V173-F175 WeakPolarHBondContact O-CD2 3.44Å; F175-Q179 HydrophobicContact CB-CB 3.97Å; F175-Q179 HydrophobicContact CD1-CB 4.08Å; F175-Q179 HydrophobicContact CG-CB 4.42Å; F175-L180 HydrophobicContact CB-CB 3.94Å; F175-L180 HydrophobicContact CD2-CD1 4.06Å; F175-R183 VanDerWaalsContact CE1-NH1 3.29Å; F175-W199 AromaticContact CD2-NE1 3.6Å; F175-L204 PolarHBondContact N-O 2.91Å; F175-L205 CarbonylContact O-C 3.59Å; F175-L205 WeakPolarHBondContact O-CA 3.3Å; F175-R206 PolarHBondContact O-N 3.32Å |
| 176 | T | 86.4 | Confident | 76.1 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | trans | -66 | 163.8 | 156.7 | 69.5 | 0 | 0 | 0 | 0 | 109.6 | D178 Q179 L180 R206 T208 | T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.14Å; T176-Q179 PolarHBondContact O-N 3.06Å; T176-Q179 WeakPolarHBondContact OG1-CB 3.35Å; T176-Q179 VanDerWaalsContact OG1-CG 3.32Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.25Å; T176-Q179 PolarHBondContact OG1-N 3.02Å; T176-Q179 VanDerWaalsContact OG1-N 3.14Å; T176-L180 WeakPolarHBondContact O-CB 3.4Å; T176-L180 PolarHBondContact O-N 3Å; T176-R206 HydrophobicContact CG2-CB 4.41Å; T176-T208 HydrophobicContact CG2-CG2 3.6Å | ||
| 177 | V | 87 | Confident | 78.4 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.6 | -45.4 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | Q179 L180 L181 L196 L205 L235 | V177-Q179 PolarHBondContact O-N 2.98Å; V177-L180 PolarHBondContact O-N 3.35Å; V177-L181 HydrophobicContact CG1-CD1 3.85Å; V177-L181 HydrophobicContact CG1-CG 4.26Å; V177-L181 WeakPolarHBondContact O-CB 3.35Å; V177-L181 WeakPolarHBondContact O-CG 3.34Å; V177-L181 PolarHBondContact O-N 2.98Å; V177-L196 HydrophobicContact CG1-CD2 4.44Å; V177-L205 HydrophobicContact CG2-CD1 4.18Å; V177-L205 HydrophobicContact CG2-CD2 4.44Å; V177-L235 HydrophobicContact CG1-CD2 3.79Å |
| 178 | D | 88.1 | Confident | 80.8 | Confident | 115 Ų | 115 | 54 Ų | 54 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 178.9 | -60 | -40 | 0 | 0 | 0 | 112.8 | T176 G182 | T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.14Å; D178-G182 PolarHBondContact O-N 3Å |
| 179 | Q | 88.8 | Confident | 82.9 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176.2 | -75.8 | 172 | -18.6 | 0 | 0 | 111.1 | F175 T176 V177 G182 R183 | F175-Q179 HydrophobicContact CB-CB 3.97Å; F175-Q179 HydrophobicContact CD1-CB 4.08Å; F175-Q179 HydrophobicContact CG-CB 4.42Å; T176-Q179 PolarHBondContact O-N 3.06Å; T176-Q179 WeakPolarHBondContact OG1-CB 3.35Å; T176-Q179 VanDerWaalsContact OG1-CG 3.32Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.25Å; T176-Q179 PolarHBondContact OG1-N 3.02Å; T176-Q179 VanDerWaalsContact OG1-N 3.14Å; V177-Q179 PolarHBondContact O-N 2.98Å; Q179-G182 PolarHBondContact O-N 3.23Å; Q179-R183 VanDerWaalsContact O-CG 3.29Å; Q179-R183 WeakPolarHBondContact O-CG 3.19Å; Q179-R183 PolarHBondContact O-N 2.86Å |
| 180 | L | 90.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 178.4 | -179.4 | 58.5 | 0 | 0 | 0 | 111.1 | L116 F175 T176 V177 G182 R183 I184 V195 L196 W199 L205 | L116-L180 HydrophobicContact CD2-CD1 3.79Å; F175-L180 HydrophobicContact CB-CB 3.94Å; F175-L180 HydrophobicContact CD2-CD1 4.06Å; T176-L180 WeakPolarHBondContact O-CB 3.4Å; T176-L180 PolarHBondContact O-N 3Å; V177-L180 PolarHBondContact O-N 3.35Å; L180-G182 VanDerWaalsContact C-N 3.32Å; L180-G182 PolarHBondContact O-N 3.01Å; L180-R183 PolarHBondContact O-N 3.34Å; L180-R183 VanDerWaalsContact O-N 3.15Å; L180-I184 HydrophobicContact CG-CD1 4.5Å; L180-I184 PolarHBondContact O-N 3.48Å; L180-V195 HydrophobicContact CD1-CG1 4.01Å; L180-V195 HydrophobicContact CD2-CG1 4.45Å; L180-V195 HydrophobicContact CG-CG1 4.44Å; L180-L196 HydrophobicContact CD2-CD2 3.92Å; L180-W199 HydrophobicContact CD1-CD2 4.18Å; L180-W199 HydrophobicContact CD1-CG 4.28Å; L180-W199 HydrophobicContact CD2-CB 3.68Å; L180-W199 HydrophobicContact CD2-CD2 4.21Å; L180-W199 HydrophobicContact CD2-CG 3.57Å; L180-L205 HydrophobicContact CD2-CD2 3.84Å |
| 181 | L | 90.9 | Very high | 86.7 | Confident | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 176.7 | -71.6 | 176.9 | 0 | 0 | 0 | 111.6 | V177 R183 I184 I192 L196 I242 | V177-L181 HydrophobicContact CG1-CD1 3.85Å; V177-L181 HydrophobicContact CG1-CG 4.26Å; V177-L181 WeakPolarHBondContact O-CB 3.35Å; V177-L181 WeakPolarHBondContact O-CG 3.34Å; V177-L181 PolarHBondContact O-N 2.98Å; L181-R183 PolarHBondContact O-N 3.49Å; L181-I184 PolarHBondContact O-N 3.4Å; L181-I184 VanDerWaalsContact O-N 3.1Å; L181-I192 HydrophobicContact CD2-CG2 3.59Å; L181-L196 HydrophobicContact CD2-CD1 4.21Å; L181-L196 HydrophobicContact CD2-CD2 4.23Å; L181-L196 HydrophobicContact CD2-CG 4.45Å; L181-I242 HydrophobicContact CD1-CD1 4.3Å |
| 182 | G | 89.1 | Confident | 88.2 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 43% | 0.433 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.7 | -24 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D178 Q179 L180 K185 | D178-G182 PolarHBondContact O-N 3Å; Q179-G182 PolarHBondContact O-N 3.23Å; L180-G182 VanDerWaalsContact C-N 3.32Å; L180-G182 PolarHBondContact O-N 3.01Å; G182-K185 PolarHBondContact O-NZ 2.73Å |
| 183 | R | 89.6 | Confident | 89.1 | Confident | 94 Ų | 94 | 58.8 Ų | 58.8 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -85.2 | -22 | 176.7 | -63.8 | -68.8 | 172.9 | 74.9 | -4.1 | 113.2 | C117 F175 Q179 L180 L181 | C117-R183 VanDerWaalsContact CA-O 3.28Å; C117-R183 WeakPolarHBondContact CA-O 3.37Å; F175-R183 VanDerWaalsContact CE1-NH1 3.29Å; Q179-R183 VanDerWaalsContact O-CG 3.29Å; Q179-R183 WeakPolarHBondContact O-CG 3.19Å; Q179-R183 PolarHBondContact O-N 2.86Å; L180-R183 PolarHBondContact O-N 3.34Å; L180-R183 VanDerWaalsContact O-N 3.15Å; L181-R183 PolarHBondContact O-N 3.49Å |
| 184 | I | 91.6 | Very high | 89.7 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | trans | -82.6 | 127.8 | 177.1 | -59.4 | 165.6 | 0 | 0 | 0 | 109 | A119 L180 L181 I192 V195 | A119-I184 HydrophobicContact CB-CG2 3.8Å; L180-I184 HydrophobicContact CG-CD1 4.5Å; L180-I184 PolarHBondContact O-N 3.48Å; L181-I184 PolarHBondContact O-N 3.4Å; L181-I184 VanDerWaalsContact O-N 3.1Å; I184-I192 HydrophobicContact CD1-CG2 4.21Å; I184-I192 HydrophobicContact CG2-CG1 3.92Å; I184-V195 HydrophobicContact CD1-CB 3.86Å; I184-V195 HydrophobicContact CD1-CG1 3.79Å; I184-V195 HydrophobicContact CD1-CG2 4.26Å; I184-V195 HydrophobicContact CG1-CG1 4.44Å | ||
| 185 | K | 91.1 | Very high | 90.2 | Very high | 152 Ų | 152 | 58.2 Ų | 58.2 | 66% | 0.661 | 30% | 0.3 | S | S | * | . | trans | -114.9 | 22.5 | 178.8 | -55.7 | -57.7 | -177.8 | -161.4 | 0 | 112.4 | C117 G182 | C117-K185 CarbonylContact O-C 3.6Å; C117-K185 WeakPolarHBondContact O-CA 3.35Å; C117-K185 PolarHBondContact O-N 3.18Å; C117-K185 VanDerWaalsContact SG-CG 3.55Å; G182-K185 PolarHBondContact O-NZ 2.73Å | ||
| 186 | S | 90.3 | Very high | 90.5 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | trans | -91.1 | 141.3 | 170.9 | -165 | 0 | 0 | 0 | 0 | 109.8 | N188 I192 | S186-N188 PolarHBondContact OG-N 3.27Å; S186-I192 WeakPolarHBondContact O-CD1 3.49Å | ||
| 187 | D | 89.5 | Confident | 90.7 | Very high | 155 Ų | 155 | 62 Ų | 62 | 83% | 0.829 | 32% | 0.316 | S | S | * | . | trans | -88.4 | -14.4 | 169.8 | 56.6 | -11.7 | 0 | 0 | 0 | 113 | S189 | D187-S189 PolarHBondContact O-N 3.28Š| ||
| 188 | N | 91.4 | Very high | 90.7 | Very high | 65 Ų | 65 | 61 Ų | 61 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | trans | -75.7 | 111.1 | 178.6 | -176.2 | -53.2 | 0 | 0 | 0 | 111.2 | S186 E190 R191 I192 | S186-N188 PolarHBondContact OG-N 3.27Å; N188-E190 PolarHBondContact O-N 3.09Å; N188-E190 WeakPolarHBondContact OD1-CB 3.38Å; N188-E190 PolarHBondContact OD1-N 3.26Å; N188-R191 HydrophobicContact CB-CB 4.23Å; N188-R191 HydrophobicContact CB-CG 4.01Å; N188-R191 PolarHBondContact O-N 3.4Å; N188-R191 PolarHBondContact OD1-N 3.16Å; N188-I192 WeakPolarHBondContact O-CG1 3.3Å; N188-I192 PolarHBondContact O-N 2.93Å; N188-I192 VanDerWaalsContact O-N 3.1Å | ||
| 189 | S | 91.7 | Very high | 90.6 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | -178.1 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | D187 R191 I192 I193 | D187-S189 PolarHBondContact O-N 3.28Å; S189-R191 VanDerWaalsContact C-N 3.31Å; S189-R191 PolarHBondContact O-N 3.08Å; S189-I192 PolarHBondContact O-N 3.35Å; S189-I193 WeakPolarHBondContact O-CB 3.45Å; S189-I193 WeakPolarHBondContact O-CD1 3.3Å; S189-I193 WeakPolarHBondContact O-CG1 3.45Å; S189-I193 PolarHBondContact O-N 3.45Å |
| 190 | E | 93.7 | Very high | 90.4 | Very high | 150 Ų | 150 | 52.7 Ų | 52.7 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 178.4 | -61 | -176.1 | 163.2 | 0 | 0 | 111.4 | N188 I193 S194 | N188-E190 PolarHBondContact O-N 3.09Å; N188-E190 WeakPolarHBondContact OD1-CB 3.38Å; N188-E190 PolarHBondContact OD1-N 3.26Å; E190-I193 PolarHBondContact O-N 3.47Å; E190-S194 WeakPolarHBondContact O-CB 3.29Å; E190-S194 PolarHBondContact O-N 3.27Å |
| 191 | R | 91.7 | Very high | 90 | Very high | 85 Ų | 85 | 61 Ų | 61 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 176.4 | -63.5 | -175.4 | 73.8 | 176.9 | 14.4 | 111.4 | R118 A119 N188 S189 S194 V195 | R118-R191 PolarHBondContact O-NE 3.05Å; R118-R191 PolarHBondContact O-NH1 3.18Å; R118-R191 PolarHBondContact O-NH2 3.1Å; A119-R191 HydrophobicContact CB-CB 3.61Å; A119-R191 PolarHBondContact O-NE 3.16Å; N188-R191 HydrophobicContact CB-CB 4.23Å; N188-R191 HydrophobicContact CB-CG 4.01Å; N188-R191 PolarHBondContact O-N 3.4Å; N188-R191 PolarHBondContact OD1-N 3.16Å; S189-R191 VanDerWaalsContact C-N 3.31Å; S189-R191 PolarHBondContact O-N 3.08Å; R191-S194 PolarHBondContact O-N 3.28Å; R191-S194 PolarHBondContact O-OG 3.43Å; R191-V195 PolarHBondContact O-N 2.93Å |
| 192 | I | 92.5 | Very high | 89.5 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 175.9 | -60.8 | 166.5 | 0 | 0 | 0 | 110.3 | L181 I184 S186 N188 S189 S194 V195 L196 | L181-I192 HydrophobicContact CD2-CG2 3.59Å; I184-I192 HydrophobicContact CD1-CG2 4.21Å; I184-I192 HydrophobicContact CG2-CG1 3.92Å; S186-I192 WeakPolarHBondContact O-CD1 3.49Å; N188-I192 WeakPolarHBondContact O-CG1 3.3Å; N188-I192 PolarHBondContact O-N 2.93Å; N188-I192 VanDerWaalsContact O-N 3.1Å; S189-I192 PolarHBondContact O-N 3.35Å; I192-S194 VanDerWaalsContact C-N 3.26Å; I192-S194 PolarHBondContact O-N 3.22Å; I192-V195 PolarHBondContact O-N 2.89Å; I192-V195 VanDerWaalsContact O-N 3.11Å; I192-L196 HydrophobicContact CG2-CD1 4.3Å; I192-L196 PolarHBondContact O-N 3.29Å; I192-L196 VanDerWaalsContact O-N 3.08Å |
| 193 | I | 93.3 | Very high | 89 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 177.7 | -69.5 | 164.6 | 0 | 0 | 0 | 110.6 | S189 E190 V195 L196 Q197 M239 | S189-I193 WeakPolarHBondContact O-CB 3.45Å; S189-I193 WeakPolarHBondContact O-CD1 3.3Å; S189-I193 WeakPolarHBondContact O-CG1 3.45Å; S189-I193 PolarHBondContact O-N 3.45Å; E190-I193 PolarHBondContact O-N 3.47Å; I193-V195 VanDerWaalsContact C-N 3.27Å; I193-V195 PolarHBondContact O-N 3.17Å; I193-L196 PolarHBondContact O-N 2.96Å; I193-Q197 HydrophobicContact CG2-CG 4.06Å; I193-Q197 WeakPolarHBondContact O-CB 3.33Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.3Å; I193-M239 HydrophobicContact CD1-CE 3.63Å; I193-M239 HydrophobicContact CD1-SD 4.23Å; I193-M239 HydrophobicContact CG1-CE 3.58Å; I193-M239 HydrophobicContact CG1-SD 3.73Å |
| 194 | S | 92.4 | Very high | 88.7 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -35 | 179.8 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | G121 A122 E190 R191 I192 L198 | G121-S194 VanDerWaalsContact CA-OG 3.26Å; G121-S194 WeakPolarHBondContact CA-OG 3.5Å; A122-S194 PolarHBondContact N-OG 3.44Å; A122-S194 VanDerWaalsContact N-OG 3.08Å; E190-S194 WeakPolarHBondContact O-CB 3.29Å; E190-S194 PolarHBondContact O-N 3.27Å; R191-S194 PolarHBondContact O-N 3.28Å; R191-S194 PolarHBondContact O-OG 3.43Å; I192-S194 VanDerWaalsContact C-N 3.26Å; I192-S194 PolarHBondContact O-N 3.22Å; S194-L198 WeakPolarHBondContact O-CB 3.41Å; S194-L198 PolarHBondContact O-N 3.02Å; S194-L198 VanDerWaalsContact O-N 3.13Å |
| 195 | V | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.8 | -45.1 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | L116 A119 L126 L180 I184 R191 I192 I193 Q197 L198 W199 | L116-V195 HydrophobicContact CD2-CG1 3.63Å; A119-V195 HydrophobicContact CB-CG2 3.97Å; L126-V195 HydrophobicContact CD1-CG2 4.12Å; L180-V195 HydrophobicContact CD1-CG1 4.01Å; L180-V195 HydrophobicContact CD2-CG1 4.45Å; L180-V195 HydrophobicContact CG-CG1 4.44Å; I184-V195 HydrophobicContact CD1-CB 3.86Å; I184-V195 HydrophobicContact CD1-CG1 3.79Å; I184-V195 HydrophobicContact CD1-CG2 4.26Å; I184-V195 HydrophobicContact CG1-CG1 4.44Å; R191-V195 PolarHBondContact O-N 2.93Å; I192-V195 PolarHBondContact O-N 2.89Å; I192-V195 VanDerWaalsContact O-N 3.11Å; I193-V195 VanDerWaalsContact C-N 3.27Å; I193-V195 PolarHBondContact O-N 3.17Å; V195-Q197 VanDerWaalsContact C-N 3.35Å; V195-Q197 PolarHBondContact O-N 3.39Å; V195-L198 PolarHBondContact O-N 3.05Å; V195-W199 HydrophobicContact CG1-CE3 3.96Å; V195-W199 HydrophobicContact CG1-CZ3 4.22Å; V195-W199 PolarHBondContact O-N 2.91Å |
| 196 | L | 91.2 | Very high | 87.8 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 176.4 | -70.5 | 171.1 | 0 | 0 | 0 | 111.2 | V177 L180 L181 I192 I193 L198 W199 I200 L235 M239 | V177-L196 HydrophobicContact CG1-CD2 4.44Å; L180-L196 HydrophobicContact CD2-CD2 3.92Å; L181-L196 HydrophobicContact CD2-CD1 4.21Å; L181-L196 HydrophobicContact CD2-CD2 4.23Å; L181-L196 HydrophobicContact CD2-CG 4.45Å; I192-L196 HydrophobicContact CG2-CD1 4.3Å; I192-L196 PolarHBondContact O-N 3.29Å; I192-L196 VanDerWaalsContact O-N 3.08Å; I193-L196 PolarHBondContact O-N 2.96Å; L196-L198 VanDerWaalsContact C-N 3.29Å; L196-L198 PolarHBondContact O-N 2.98Å; L196-W199 PolarHBondContact O-N 2.94Å; L196-I200 WeakPolarHBondContact O-CB 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; L196-I200 PolarHBondContact O-N 3Å; L196-L235 HydrophobicContact CD1-CD2 4.24Å; L196-M239 HydrophobicContact CD1-SD 4.48Å |
| 197 | Q | 89.4 | Confident | 87 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 176.9 | -74.5 | 177.5 | -16 | 0 | 0 | 112 | I193 V195 K201 | I193-Q197 HydrophobicContact CG2-CG 4.06Å; I193-Q197 WeakPolarHBondContact O-CB 3.33Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.3Å; V195-Q197 VanDerWaalsContact C-N 3.35Å; V195-Q197 PolarHBondContact O-N 3.39Å; Q197-K201 WeakPolarHBondContact O-CB 3.1Å; Q197-K201 VanDerWaalsContact O-CG 3.22Å; Q197-K201 WeakPolarHBondContact O-CG 3.31Å; Q197-K201 PolarHBondContact O-N 3.24Å |
| 198 | L | 86.4 | Confident | 85.7 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 176.8 | 179.9 | 59.1 | 0 | 0 | 0 | 111.7 | L126 E127 L130 S194 V195 L196 I200 K201 A202 | L126-L198 HydrophobicContact CB-CD2 3.57Å; E127-L198 HydrophobicContact CB-CD1 4.07Å; E127-L198 HydrophobicContact CB-CD2 4.29Å; E127-L198 HydrophobicContact CG-CD1 4.2Å; L130-L198 HydrophobicContact CD1-CD2 4.22Å; L130-L198 HydrophobicContact CD1-CG 4.35Å; S194-L198 WeakPolarHBondContact O-CB 3.41Å; S194-L198 PolarHBondContact O-N 3.02Å; S194-L198 VanDerWaalsContact O-N 3.13Å; V195-L198 PolarHBondContact O-N 3.05Å; L196-L198 VanDerWaalsContact C-N 3.29Å; L196-L198 PolarHBondContact O-N 2.98Å; L198-I200 VanDerWaalsContact C-N 3.35Å; L198-I200 PolarHBondContact O-N 3.26Å; L198-K201 PolarHBondContact O-N 3.34Å; L198-A202 VanDerWaalsContact O-CB 3.32Å; L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.15Å |
| 199 | W | 86.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 178.8 | -102.7 | -112.6 | 0 | 0 | 0 | 113.1 | L116 L126 L130 V173 F175 L180 V195 L196 N203 L204 L205 | L116-W199 HydrophobicContact CD1-CH2 4.4Å; L116-W199 HydrophobicContact CD1-CZ2 4.17Å; L116-W199 HydrophobicContact CD2-CH2 3.57Å; L116-W199 HydrophobicContact CD2-CZ2 3.89Å; L116-W199 HydrophobicContact CD2-CZ3 3.93Å; L116-W199 HydrophobicContact CG-CH2 4.17Å; L116-W199 HydrophobicContact CG-CZ2 4.42Å; L126-W199 HydrophobicContact CB-CZ3 4.43Å; L126-W199 HydrophobicContact CD1-CH2 4.45Å; L126-W199 HydrophobicContact CD1-CZ3 4.01Å; L126-W199 HydrophobicContact CD2-CH2 4.15Å; L126-W199 HydrophobicContact CD2-CZ3 4.44Å; L130-W199 HydrophobicContact CD1-CE3 4.39Å; L130-W199 HydrophobicContact CD1-CH2 3.75Å; L130-W199 HydrophobicContact CD1-CZ2 4.41Å; L130-W199 HydrophobicContact CD1-CZ3 3.74Å; L130-W199 HydrophobicContact CD2-CH2 4.24Å; L130-W199 HydrophobicContact CD2-CZ2 4.47Å; L130-W199 HydrophobicContact CG-CH2 4.4Å; V173-W199 PolarHBondContact O-NE1 3.13Å; F175-W199 AromaticContact CD2-NE1 3.6Å; L180-W199 HydrophobicContact CD1-CD2 4.18Å; L180-W199 HydrophobicContact CD1-CG 4.28Å; L180-W199 HydrophobicContact CD2-CB 3.68Å; L180-W199 HydrophobicContact CD2-CD2 4.21Å; L180-W199 HydrophobicContact CD2-CG 3.57Å; V195-W199 HydrophobicContact CG1-CE3 3.96Å; V195-W199 HydrophobicContact CG1-CZ3 4.22Å; V195-W199 PolarHBondContact O-N 2.91Å; L196-W199 PolarHBondContact O-N 2.94Å; W199-N203 PolarHBondContact O-N 3.47Å; W199-N203 VanDerWaalsContact O-N 3.16Å; W199-L204 HydrophobicContact CG-CB 4.08Å; W199-L204 PolarHBondContact O-N 2.61Å; W199-L205 HydrophobicContact CB-CD2 4.04Å; W199-L205 HydrophobicContact CB-CG 4.23Å; W199-L205 HydrophobicContact CG-CD2 4.49Å |
| 200 | I | 85 | Confident | 81.4 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.1 | -52.3 | 170.9 | -71.7 | 168.8 | 0 | 0 | 0 | 109.7 | L196 L198 A202 N203 L205 L228 F232 | L196-I200 WeakPolarHBondContact O-CB 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; L196-I200 PolarHBondContact O-N 3Å; L198-I200 VanDerWaalsContact C-N 3.35Å; L198-I200 PolarHBondContact O-N 3.26Å; I200-A202 VanDerWaalsContact C-N 3.28Å; I200-A202 PolarHBondContact O-N 3.41Å; I200-N203 PolarHBondContact O-N 2.98Å; I200-L205 HydrophobicContact CD1-CD1 4.5Å; I200-L205 HydrophobicContact CG1-CD1 3.56Å; I200-L228 HydrophobicContact CG1-CD2 4.39Å; I200-L228 HydrophobicContact CG2-CD1 3.49Å; I200-L228 VanDerWaalsContact CG2-CD1 3.49Å; I200-L228 HydrophobicContact CG2-CD2 4.29Å; I200-L228 HydrophobicContact CG2-CG 4.39Å; I200-F232 HydrophobicContact CD1-CZ 4.29Å |
| 201 | K | 80.6 | Confident | 79 | Confident | 175 Ų | 175 | 62.6 Ų | 62.6 | 76% | 0.761 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.9 | -38.2 | -180 | -77.6 | 175.4 | 179.8 | -178.5 | 0 | 112.7 | Q197 L198 N203 | Q197-K201 WeakPolarHBondContact O-CB 3.1Å; Q197-K201 VanDerWaalsContact O-CG 3.22Å; Q197-K201 WeakPolarHBondContact O-CG 3.31Å; Q197-K201 PolarHBondContact O-N 3.24Å; L198-K201 PolarHBondContact O-N 3.34Å; K201-N203 VanDerWaalsContact C-N 3.26Å; K201-N203 PolarHBondContact O-N 3.01Å |
| 202 | A | 80.7 | Confident | 76.4 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -1.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L198 I200 L204 | L198-A202 VanDerWaalsContact O-CB 3.32Å; L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.15Å; I200-A202 VanDerWaalsContact C-N 3.28Å; I200-A202 PolarHBondContact O-N 3.41Å; A202-L204 HydrophobicContact CB-CD1 3.67Å; A202-L204 HydrophobicContact CB-CG 3.7Å; A202-L204 PolarHBondContact O-N 3.44Å |
| 203 | N | 79.9 | Confident | 73.6 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.3 | -175.3 | -167 | 39 | 0 | 0 | 0 | 113 | W199 I200 K201 | W199-N203 PolarHBondContact O-N 3.47Å; W199-N203 VanDerWaalsContact O-N 3.16Å; I200-N203 PolarHBondContact O-N 2.98Å; K201-N203 VanDerWaalsContact C-N 3.26Å; K201-N203 PolarHBondContact O-N 3.01Å |
| 204 | L | 83.4 | Confident | 70.8 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | trans | -99 | 6.4 | -177.9 | -64.9 | 176.1 | 0 | 0 | 0 | 113.1 | L130 V173 L174 F175 W199 A202 | L130-L204 HydrophobicContact CD1-CD1 4.06Å; L130-L204 HydrophobicContact CD2-CD1 4.25Å; V173-L204 HydrophobicContact CB-CD1 4.32Å; V173-L204 HydrophobicContact CG2-CD2 4.11Å; L174-L204 WeakPolarHBondContact CA-O 3.36Å; L174-L204 HydrophobicContact CD2-CD2 4.25Å; F175-L204 PolarHBondContact N-O 2.91Å; W199-L204 HydrophobicContact CG-CB 4.08Å; W199-L204 PolarHBondContact O-N 2.61Å; A202-L204 HydrophobicContact CB-CD1 3.67Å; A202-L204 HydrophobicContact CB-CG 3.7Å; A202-L204 PolarHBondContact O-N 3.44Å | ||
| 205 | L | 83 | Confident | 67.9 | Low | 19 Ų | 19 | 73.6 Ų | 73.6 | 10% | 0.099 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 123.8 | 175.9 | -67.6 | -178.4 | 0 | 0 | 0 | 111 | F175 V177 L180 W199 I200 L207 | F175-L205 CarbonylContact O-C 3.59Å; F175-L205 WeakPolarHBondContact O-CA 3.3Å; V177-L205 HydrophobicContact CG2-CD1 4.18Å; V177-L205 HydrophobicContact CG2-CD2 4.44Å; L180-L205 HydrophobicContact CD2-CD2 3.84Å; W199-L205 HydrophobicContact CB-CD2 4.04Å; W199-L205 HydrophobicContact CB-CG 4.23Å; W199-L205 HydrophobicContact CG-CD2 4.49Å; I200-L205 HydrophobicContact CD1-CD1 4.5Å; I200-L205 HydrophobicContact CG1-CD1 3.56Å; L205-L207 PolarHBondContact O-N 3.05Å |
| 206 | R | 79.7 | Confident | 65.2 | Low | 113 Ų | 113 | 81.2 Ų | 81.2 | 43% | 0.426 | 46% | 0.457 | S | S | . | . | trans | -77.8 | 113 | 169.5 | -173.2 | 178.3 | -177.2 | -174 | 0.4 | 108.7 | F175 T176 T208 N218 | F175-R206 PolarHBondContact O-N 3.32Å; T176-R206 HydrophobicContact CG2-CB 4.41Å; R206-T208 PolarHBondContact O-N 2.85Å; R206-N218 PolarHBondContact NH2-OD1 2.84Å | ||
| 207 | L | 72.7 | Confident | 62.4 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | trans | -76 | 114.1 | 169.1 | -58.9 | -180 | 0 | 0 | 0 | 108.4 | L205 N224 | L205-L207 PolarHBondContact O-N 3.05Å; L207-N224 WeakPolarHBondContact CD1-ND2 3.41Å | ||
| 208 | T | 63.1 | Low | 59.6 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | trans | -83.3 | 112.4 | 165.3 | 46.5 | 0 | 0 | 0 | 0 | 107.6 | T176 R206 T210 | T176-T208 HydrophobicContact CG2-CG2 3.6Å; R206-T208 PolarHBondContact O-N 2.85Å; T208-T210 PolarHBondContact O-N 3.49Å; T208-T210 VanDerWaalsContact O-N 3.1Å | ||
| 209 | H | 50 | Low | 57 | Low | 155 Ų | 155 | 94.3 Ų | 94.3 | 72% | 0.718 | 53% | 0.53 | S | S | * | . | trans | -64.9 | 111.8 | 163.3 | -73.3 | -81.5 | 0 | 0 | 0 | 107.5 | T211 | H209-T211 HydrophobicContact CB-CG2 4.23Å; H209-T211 PolarHBondContact O-N 3.27Å | ||
| 210 | T | 43 | Very low | 54.5 | Low | 138 Ų | 138 | 102.1 Ų | 102.1 | 85% | 0.847 | 57% | 0.567 | S | S | * | * | trans | -73.2 | 59.6 | 164.6 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | T208 G212 | T208-T210 PolarHBondContact O-N 3.49Å; T208-T210 VanDerWaalsContact O-N 3.1Å; T210-G212 PolarHBondContact O-N 3.05Å | ||
| 211 | T | 44 | Very low | 52 | Low | 101 Ų | 101 | 104.9 Ų | 104.9 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | trans | -84.2 | 101.6 | 168.1 | 44.4 | 0 | 0 | 0 | 0 | 106.5 | H209 D213 | H209-T211 HydrophobicContact CB-CG2 4.23Å; H209-T211 PolarHBondContact O-N 3.27Å; T211-D213 PolarHBondContact O-N 2.92Å | ||
| 212 | G | 35.8 | Very low | 49.6 | Very low | 66 Ų | 66 | 100.5 Ų | 100.5 | 68% | 0.68 | 57% | 0.569 | S | S | * | * | trans | -46.8 | 133.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 107 | T210 | T210-G212 PolarHBondContact O-N 3.05Š| ||
| 213 | D | 34.1 | Very low | 47.2 | Very low | 143 Ų | 143 | 103.9 Ų | 103.9 | 77% | 0.765 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 89.8 | 102.6 | -178.1 | -51.5 | -28.3 | 0 | 0 | 0 | 116.5 | T211 | T211-D213 PolarHBondContact O-N 2.92Š|
| 214 | S | 34.5 | Very low | 45.1 | Very low | 93 Ų | 93 | 103.2 Ų | 103.2 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | trans | 52.1 | 103.8 | 137.9 | 59.4 | 0 | 0 | 0 | 0 | 119.1 | I216 | S214-I216 PolarHBondContact O-N 3.35Š| ||
| 215 | S | 31.9 | Very low | 42.6 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 81% | 0.811 | 62% | 0.62 | S | S | * | * | trans | 47.6 | 74.1 | 131.6 | 59.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 216 | I | 33.5 | Very low | 40.2 | Very low | 160 Ų | 160 | 114.4 Ų | 114.4 | 82% | 0.821 | 65% | 0.65 | S | S | * | * | trans | -129.9 | 120.5 | 153.8 | -56.4 | 179.8 | 0 | 0 | 0 | 108.2 | S214 | S214-I216 PolarHBondContact O-N 3.35Š| ||
| 217 | P | 32.1 | Very low | 37.9 | Very low | 111 Ų | 111 | 113 Ų | 113 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | trans | -75.8 | 133.2 | -176.4 | -6.4 | 22.9 | 0 | 0 | 0 | 112.2 | E219 | P217-E219 PolarHBondContact O-N 3.37Š| ||
| 218 | N | 31.2 | Very low | 36 | Very low | 104 Ų | 104 | 110.3 Ų | 110.3 | 56% | 0.556 | 64% | 0.64 | S | S | * | * | trans | -2.4 | 80 | 160.3 | -68.4 | -39.6 | 0 | 0 | 0 | 116.9 | R206 | R206-N218 PolarHBondContact NH2-OD1 2.84Š| ||
| 219 | E | 32.6 | Very low | 34.5 | Very low | 177 Ų | 177 | 114.1 Ų | 114.1 | 83% | 0.827 | 65% | 0.651 | S | S | * | * | trans | -129.9 | 126 | 163.1 | -77.1 | -175.2 | 175.2 | 0 | 0 | 108.1 | P217 | P217-E219 PolarHBondContact O-N 3.37Š| ||
| 220 | Q | 33.8 | Very low | 33.7 | Very low | 165 Ų | 165 | 115 Ų | 115 | 77% | 0.771 | 65% | 0.653 | S | S | * | * | trans | 117.1 | 78.9 | 170.9 | -64.1 | 178.6 | 2 | 0 | 0 | 114.5 | T222 | Q220-T222 WeakPolarHBondContact CB-OG1 3.32Å; Q220-T222 WeakPolarHBondContact CG-OG1 3.33Å; Q220-T222 PolarHBondContact O-N 3.13Å | ||
| 221 | L | 33.2 | Very low | 33.1 | Very low | 83 Ų | 83 | 109.6 Ų | 109.6 | 44% | 0.435 | 63% | 0.625 | S | S | . | * | trans | -77.7 | 15.3 | 152.4 | -91.8 | 156.5 | 0 | 0 | 0 | 112.4 | L139 | L139-L221 HydrophobicContact CB-CD1 3.94Å; L139-L221 HydrophobicContact CD2-CD1 3.98Å; L139-L221 HydrophobicContact CD2-CD2 3.79Å; L139-L221 HydrophobicContact CD2-CG 4.46Å; L139-L221 HydrophobicContact CG-CD1 4.4Å; L139-L221 WeakPolarHBondContact O-CD1 3.35Å | ||
| 222 | T | 30.1 | Very low | 32.6 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | trans | -99.8 | 124.3 | -169.2 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | Q220 | Q220-T222 WeakPolarHBondContact CB-OG1 3.32Å; Q220-T222 WeakPolarHBondContact CG-OG1 3.33Å; Q220-T222 PolarHBondContact O-N 3.13Å | ||
| 223 | C | 30.3 | Very low | 32.7 | Very low | 115 Ų | 115 | 109.8 Ų | 109.8 | 78% | 0.777 | 61% | 0.607 | S | S | * | * | trans | 80 | 60.5 | 154.9 | -51.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 224 | N | 34.8 | Very low | 33 | Very low | 43 Ų | 43 | 108 Ų | 108 | 23% | 0.23 | 60% | 0.598 | C | S | . | * | trans | -125.8 | 67 | 174.3 | -72.4 | -38.7 | 0 | 0 | 0 | 114.2 | L207 V227 L228 | L207-N224 WeakPolarHBondContact CD1-ND2 3.41Å; N224-V227 WeakPolarHBondContact OD1-CB 3.42Å; N224-V227 WeakPolarHBondContact OD1-CG2 3.45Å; N224-L228 WeakPolarHBondContact O-CD1 3.43Å | ||
| 225 | T | 31.9 | Very low | 33.2 | Very low | 120 Ų | 120 | 105 Ų | 105 | 74% | 0.736 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -89.4 | -31 | 151.1 | 40.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 226 | N | 31.2 | Very low | 33.4 | Very low | 139 Ų | 139 | 102.6 Ų | 102.6 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -87.6 | -20.1 | -172.3 | -64.4 | -9.4 | 0 | 0 | 0 | 114.6 | L228 | N226-L228 VanDerWaalsContact C-N 3.34Š|
| 227 | V | 32.2 | Very low | 33.7 | Very low | 82 Ų | 82 | 98.7 Ų | 98.7 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -79 | -21.7 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | N224 E229 K230 G231 | N224-V227 WeakPolarHBondContact OD1-CB 3.42Å; N224-V227 WeakPolarHBondContact OD1-CG2 3.45Å; V227-E229 PolarHBondContact O-N 3.31Å; V227-K230 PolarHBondContact O-N 3.49Å; V227-G231 PolarHBondContact O-N 3.3Å |
| 228 | L | 32.6 | Very low | 33.9 | Very low | 34 Ų | 34 | 99.1 Ų | 99.1 | 18% | 0.178 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -73.6 | -25.9 | -176.4 | -72.7 | 163.6 | 0 | 0 | 0 | 113.7 | I200 N224 N226 K230 G231 F232 | I200-L228 HydrophobicContact CG1-CD2 4.39Å; I200-L228 HydrophobicContact CG2-CD1 3.49Å; I200-L228 VanDerWaalsContact CG2-CD1 3.49Å; I200-L228 HydrophobicContact CG2-CD2 4.29Å; I200-L228 HydrophobicContact CG2-CG 4.39Å; N224-L228 WeakPolarHBondContact O-CD1 3.43Å; N226-L228 VanDerWaalsContact C-N 3.34Å; L228-K230 PolarHBondContact O-N 3.47Å; L228-G231 PolarHBondContact O-N 3.48Å; L228-F232 VanDerWaalsContact O-CD2 3.26Å; L228-F232 WeakPolarHBondContact O-CD2 3.48Å; L228-F232 PolarHBondContact O-N 3.32Å |
| 229 | E | 30.8 | Very low | 34.2 | Very low | 170 Ų | 170 | 96.3 Ų | 96.3 | 79% | 0.794 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -32.9 | 174.5 | -78.9 | -168.7 | 161 | 0 | 0 | 112.3 | V227 | V227-E229 PolarHBondContact O-N 3.31Å |
| 230 | K | 34.2 | Very low | 34.4 | Very low | 174 Ų | 174 | 94.5 Ų | 94.5 | 76% | 0.757 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.9 | -38.7 | 170.4 | -80.8 | -176.9 | 174.8 | -179.9 | 0 | 112.3 | V227 L228 F232 S233 | V227-K230 PolarHBondContact O-N 3.49Å; L228-K230 PolarHBondContact O-N 3.47Å; K230-F232 PolarHBondContact O-N 2.88Å; K230-S233 PolarHBondContact O-N 3.38Å; K230-S233 VanDerWaalsContact O-N 3.16Å; K230-S233 PolarHBondContact O-OG 3.09Å |
| 231 | G | 31 | Very low | 34.6 | Very low | 24 Ų | 24 | 89.5 Ų | 89.5 | 25% | 0.247 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.3 | -26.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | V227 L228 S233 D234 L235 | V227-G231 PolarHBondContact O-N 3.3Å; L228-G231 PolarHBondContact O-N 3.48Å; G231-S233 VanDerWaalsContact C-N 3.28Å; G231-S233 PolarHBondContact O-N 3.31Å; G231-D234 PolarHBondContact O-N 3.15Å; G231-L235 WeakPolarHBondContact O-CB 3.4Å; G231-L235 PolarHBondContact O-N 3.29Å |
| 232 | F | 33.2 | Very low | 34.7 | Very low | 101 Ų | 101 | 89.1 Ų | 89.1 | 44% | 0.443 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -31.8 | 174.9 | -95 | -77.8 | 0 | 0 | 0 | 112.9 | I200 L228 K230 C236 | I200-F232 HydrophobicContact CD1-CZ 4.29Å; L228-F232 VanDerWaalsContact O-CD2 3.26Å; L228-F232 WeakPolarHBondContact O-CD2 3.48Å; L228-F232 PolarHBondContact O-N 3.32Å; K230-F232 PolarHBondContact O-N 2.88Å; F232-C236 WeakPolarHBondContact O-CB 3.5Å; F232-C236 PolarHBondContact O-N 3.25Å; F232-C236 PolarHBondContact O-SG 3.06Å; F232-C236 VanDerWaalsContact O-SG 3.41Å |
| 233 | S | 38.1 | Very low | 34.9 | Very low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 176.1 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | K230 G231 C236 C237 | K230-S233 PolarHBondContact O-N 3.38Å; K230-S233 VanDerWaalsContact O-N 3.16Å; K230-S233 PolarHBondContact O-OG 3.09Å; G231-S233 VanDerWaalsContact C-N 3.28Å; G231-S233 PolarHBondContact O-N 3.31Å; S233-C236 PolarHBondContact O-N 2.81Å; S233-C237 PolarHBondContact O-N 2.79Å; S233-C237 PolarHBondContact O-SG 2.93Å |
| 234 | D | 39 | Very low | 35.2 | Very low | 106 Ų | 106 | 90.3 Ų | 90.3 | 57% | 0.567 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.6 | -37.4 | -177.6 | -67.4 | -10.3 | 0 | 0 | 0 | 111.6 | G231 C237 H238 | G231-D234 PolarHBondContact O-N 3.15Å; D234-C237 WeakPolarHBondContact O-CB 3.46Å; D234-C237 PolarHBondContact O-N 3.41Å; D234-H238 PolarHBondContact O-N 3.08Å |
| 235 | L | 39.3 | Very low | 35.3 | Very low | 29 Ų | 29 | 93.6 Ų | 93.6 | 15% | 0.152 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 170.8 | -93.4 | 151.1 | 0 | 0 | 0 | 111.5 | V177 L196 G231 C237 H238 M239 | V177-L235 HydrophobicContact CG1-CD2 3.79Å; L196-L235 HydrophobicContact CD1-CD2 4.24Å; G231-L235 WeakPolarHBondContact O-CB 3.4Å; G231-L235 PolarHBondContact O-N 3.29Å; L235-C237 VanDerWaalsContact C-N 3.34Å; L235-H238 PolarHBondContact O-N 3.09Å; L235-M239 VanDerWaalsContact O-CB 3.31Å; L235-M239 WeakPolarHBondContact O-CB 3.49Å; L235-M239 WeakPolarHBondContact O-CG 3.25Å; L235-M239 PolarHBondContact O-N 3.24Å |
| 236 | C | 37.4 | Very low | 35.3 | Very low | 66 Ų | 66 | 94.1 Ų | 94.1 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 171.6 | -83.4 | 0 | 0 | 0 | 0 | 111.1 | F232 S233 H238 M239 F240 | F232-C236 WeakPolarHBondContact O-CB 3.5Å; F232-C236 PolarHBondContact O-N 3.25Å; F232-C236 PolarHBondContact O-SG 3.06Å; F232-C236 VanDerWaalsContact O-SG 3.41Å; S233-C236 PolarHBondContact O-N 2.81Å; C236-H238 PolarHBondContact O-N 3.38Å; C236-M239 PolarHBondContact O-N 3.16Å; C236-F240 WeakPolarHBondContact O-CB 3.35Å; C236-F240 VanDerWaalsContact O-CD2 3.32Å; C236-F240 WeakPolarHBondContact O-CD2 3.48Å; C236-F240 PolarHBondContact O-N 3.17Å |
| 237 | C | 39.1 | Very low | 35.2 | Very low | 77 Ų | 77 | 90.1 Ų | 90.1 | 52% | 0.52 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175.5 | -75.9 | 0 | 0 | 0 | 0 | 112.8 | S233 D234 L235 F240 S241 | S233-C237 PolarHBondContact O-N 2.79Å; S233-C237 PolarHBondContact O-SG 2.93Å; D234-C237 WeakPolarHBondContact O-CB 3.46Å; D234-C237 PolarHBondContact O-N 3.41Å; L235-C237 VanDerWaalsContact C-N 3.34Å; C237-F240 PolarHBondContact O-N 3.42Å; C237-S241 WeakPolarHBondContact O-CB 3.49Å; C237-S241 PolarHBondContact O-N 3.44Å; C237-S241 PolarHBondContact O-OG 3.07Å |
| 238 | H | 37 | Very low | 35.2 | Very low | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -37.5 | 175.3 | -89.7 | -28 | 0 | 0 | 0 | 112.5 | D234 L235 C236 S241 I242 | D234-H238 PolarHBondContact O-N 3.08Å; L235-H238 PolarHBondContact O-N 3.09Å; C236-H238 PolarHBondContact O-N 3.38Å; H238-S241 CarbonylContact O-C 3.48Å; H238-S241 WeakPolarHBondContact O-CB 3.49Å; H238-S241 PolarHBondContact O-N 3.31Å; H238-I242 WeakPolarHBondContact O-CG1 3.31Å; H238-I242 PolarHBondContact O-N 2.94Å |
| 239 | M | 36.9 | Very low | 35.4 | Very low | 45 Ų | 45 | 99.5 Ų | 99.5 | 22% | 0.222 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -67 | -39.7 | 174.3 | -79.6 | -160.5 | 59.1 | 0 | 0 | 112.6 | I193 L196 L235 C236 S241 I242 Q243 | I193-M239 HydrophobicContact CD1-CE 3.63Å; I193-M239 HydrophobicContact CD1-SD 4.23Å; I193-M239 HydrophobicContact CG1-CE 3.58Å; I193-M239 HydrophobicContact CG1-SD 3.73Å; L196-M239 HydrophobicContact CD1-SD 4.48Å; L235-M239 VanDerWaalsContact O-CB 3.31Å; L235-M239 WeakPolarHBondContact O-CB 3.49Å; L235-M239 WeakPolarHBondContact O-CG 3.25Å; L235-M239 PolarHBondContact O-N 3.24Å; C236-M239 PolarHBondContact O-N 3.16Å; M239-S241 VanDerWaalsContact C-N 3.26Å; M239-S241 PolarHBondContact O-N 3.24Å; M239-I242 PolarHBondContact O-N 2.86Å; M239-Q243 PolarHBondContact O-N 3.36Å |
| 240 | F | 36.3 | Very low | 35.6 | Very low | 139 Ų | 139 | 95.7 Ų | 95.7 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.3 | -34.6 | 170.7 | -94.8 | -79.9 | 0 | 0 | 0 | 111.5 | C236 C237 Q243 T244 | C236-F240 WeakPolarHBondContact O-CB 3.35Å; C236-F240 VanDerWaalsContact O-CD2 3.32Å; C236-F240 WeakPolarHBondContact O-CD2 3.48Å; C236-F240 PolarHBondContact O-N 3.17Å; C237-F240 PolarHBondContact O-N 3.42Å; F240-Q243 PolarHBondContact O-N 3.08Å; F240-T244 WeakPolarHBondContact O-CG2 3.18Å; F240-T244 PolarHBondContact O-N 3.06Å; F240-T244 PolarHBondContact O-OG1 3.39Å |
| 241 | S | 37.7 | Very low | 35.7 | Very low | 61 Ų | 61 | 91.4 Ų | 91.4 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 174.3 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | C237 H238 M239 T244 T245 | C237-S241 WeakPolarHBondContact O-CB 3.49Å; C237-S241 PolarHBondContact O-N 3.44Å; C237-S241 PolarHBondContact O-OG 3.07Å; H238-S241 CarbonylContact O-C 3.48Å; H238-S241 WeakPolarHBondContact O-CB 3.49Å; H238-S241 PolarHBondContact O-N 3.31Å; M239-S241 VanDerWaalsContact C-N 3.26Å; M239-S241 PolarHBondContact O-N 3.24Å; S241-T244 WeakPolarHBondContact CA-OG1 3.37Å; S241-T244 PolarHBondContact O-N 3.23Å; S241-T244 PolarHBondContact O-OG1 3.25Å; S241-T244 VanDerWaalsContact O-OG1 3.05Å; S241-T245 PolarHBondContact O-N 3.39Å; S241-T245 PolarHBondContact O-OG1 3.5Å |
| 242 | I | 35.1 | Very low | 35.9 | Very low | 74 Ų | 74 | 95.4 Ų | 95.4 | 38% | 0.379 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.9 | -40.9 | 174.3 | -66.4 | 165.9 | 0 | 0 | 0 | 110.9 | L181 H238 M239 T244 T245 L246 | L181-I242 HydrophobicContact CD1-CD1 4.3Å; H238-I242 WeakPolarHBondContact O-CG1 3.31Å; H238-I242 PolarHBondContact O-N 2.94Å; M239-I242 PolarHBondContact O-N 2.86Å; I242-T244 VanDerWaalsContact C-N 3.25Å; I242-T244 PolarHBondContact O-N 3.47Å; I242-T245 WeakPolarHBondContact CA-OG1 3.39Å; I242-T245 PolarHBondContact O-N 3.27Å; I242-T245 PolarHBondContact O-OG1 2.91Å; I242-T245 VanDerWaalsContact O-OG1 3.1Å; I242-L246 HydrophobicContact CG2-CD1 4.01Å; I242-L246 PolarHBondContact O-N 3Å |
| 243 | Q | 34.1 | Very low | 36.1 | Very low | 114 Ų | 114 | 95 Ų | 95 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -25.7 | 174.2 | -82.9 | -172.8 | -34.6 | 0 | 0 | 113.5 | M239 F240 | M239-Q243 PolarHBondContact O-N 3.36Å; F240-Q243 PolarHBondContact O-N 3.08Å |
| 244 | T | 37.4 | Very low | 36 | Very low | 109 Ų | 109 | 96.7 Ų | 96.7 | 67% | 0.669 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -85.5 | -16.7 | 175.9 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | F240 S241 I242 | F240-T244 WeakPolarHBondContact O-CG2 3.18Å; F240-T244 PolarHBondContact O-N 3.06Å; F240-T244 PolarHBondContact O-OG1 3.39Å; S241-T244 WeakPolarHBondContact CA-OG1 3.37Å; S241-T244 PolarHBondContact O-N 3.23Å; S241-T244 PolarHBondContact O-OG1 3.25Å; S241-T244 VanDerWaalsContact O-OG1 3.05Å; I242-T244 VanDerWaalsContact C-N 3.25Å; I242-T244 PolarHBondContact O-N 3.47Å |
| 245 | T | 36.7 | Very low | 35.8 | Very low | 112 Ų | 112 | 96 Ų | 96 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -93.2 | -23 | 175.2 | 43.1 | 0 | 0 | 0 | 0 | 113.2 | S241 I242 G247 | S241-T245 PolarHBondContact O-N 3.39Å; S241-T245 PolarHBondContact O-OG1 3.5Å; I242-T245 WeakPolarHBondContact CA-OG1 3.39Å; I242-T245 PolarHBondContact O-N 3.27Å; I242-T245 PolarHBondContact O-OG1 2.91Å; I242-T245 VanDerWaalsContact O-OG1 3.1Å; T245-G247 PolarHBondContact O-N 3.33Å |
| 246 | L | 32 | Very low | 35.5 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -98.9 | 79.4 | 168.9 | -67.5 | 164.9 | 0 | 0 | 0 | 108.5 | I242 | I242-L246 HydrophobicContact CG2-CD1 4.01Å; I242-L246 PolarHBondContact O-N 3Å |
| 247 | G | 28.1 | Very low | 35.3 | Very low | 55 Ų | 55 | 104.1 Ų | 104.1 | 57% | 0.567 | 60% | 0.603 | S | S | * | * | trans | -58.3 | 165.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T245 | T245-G247 PolarHBondContact O-N 3.33Š| ||
| 248 | P | 33.5 | Very low | 35 | Very low | 212 Ų | 212 | 106.5 Ų | 106.5 | 100% | 1.377 | 61% | 0.61 | S | S | * | * | trans | -63.3 | 0 | -173.2 | 29.7 | -36 | 0 | 0 | 0 | 114.1 |
Retrieved 248 of 248 residues in 45.3 ms
(Link to these results)