| 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 | 43.9 | Very low | 66.4 | Low | 240 Ų | 240 | 94.9 Ų | 94.9 | 100% | 1.182 | 49% | 0.487 | S | S | * | . | 0 | 147.5 | 0 | -64 | 179.8 | -177.9 | 0 | 0 | 107.9 | |||||
| 2 | S | 47.1 | Very low | 67.4 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 54% | 0.538 | 49% | 0.487 | S | S | . | . | trans | -57 | 142.9 | 161.3 | 26.2 | 0 | 0 | 0 | 0 | 109.2 | Y4 | S2-Y4 PolarHBondContact O-N 2.65Š| ||
| 3 | L | 56 | Low | 67.8 | Low | 148 Ų | 148 | 94.1 Ų | 94.1 | 78% | 0.775 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -75.9 | -6.4 | 179.5 | -137.1 | 89.9 | 0 | 0 | 0 | 113.2 | ||
| 4 | Y | 52.8 | Low | 68.6 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 30% | 0.302 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -140 | 139.3 | -175.7 | -59.5 | -68.9 | 0 | 0 | 0 | 109.9 | S2 K108 P109 | S2-Y4 PolarHBondContact O-N 2.65Å; Y4-K108 HydrophobicContact CE1-CB 3.7Å; Y4-K108 HydrophobicContact CE1-CD 4.02Å; Y4-K108 HydrophobicContact CE1-CG 4.16Å; Y4-K108 WeakPolarHBondContact OH-CD 3.41Å; Y4-K108 VanDerWaalsContact OH-CG 3.24Å; Y4-K108 WeakPolarHBondContact OH-CG 3.39Å; Y4-P109 HydrophobicContact CD2-CG 4.14Å; Y4-P109 HydrophobicContact CE2-CG 4.23Å |
| 5 | P | 65.2 | Low | 69.1 | Low | 56 Ų | 56 | 92.5 Ų | 92.5 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | trans | -69.1 | 139.1 | 176.4 | 28.6 | -33.9 | 0 | 0 | 0 | 111.3 | E9 | P5-E9 VanDerWaalsContact CA-OE2 3.27Å; P5-E9 WeakPolarHBondContact CA-OE2 3.27Å; P5-E9 HydrophobicContact CB-CB 3.75Å | ||
| 6 | S | 77.4 | Confident | 69.6 | Low | 40 Ų | 40 | 92.4 Ų | 92.4 | 28% | 0.28 | 48% | 0.481 | S | S | . | . | trans | -64.4 | 169.1 | 160.7 | 93.8 | 0 | 0 | 0 | 0 | 111 | E8 E9 L10 | S6-E8 PolarHBondContact O-N 2.9Å; S6-E8 WeakPolarHBondContact OG-CB 3.35Å; S6-E8 PolarHBondContact OG-N 3.21Å; S6-E8 PolarHBondContact OG-OE2 2.97Å; S6-E9 PolarHBondContact N-OE2 3.45Å; S6-E9 PolarHBondContact O-N 2.9Å; S6-E9 PolarHBondContact OG-N 2.86Å; S6-E9 VanDerWaalsContact OG-N 3.07Å; S6-L10 PolarHBondContact O-N 2.84Å | ||
| 7 | L | 74.1 | Confident | 70.1 | Confident | 46 Ų | 46 | 91.6 Ų | 91.6 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.5 | -32.6 | 172 | -179.2 | 64 | 0 | 0 | 0 | 111.7 | K11 V188 | L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.69Å; L7-V188 HydrophobicContact CD1-CG1 3.69Å |
| 8 | E | 78 | Confident | 70.3 | Confident | 149 Ų | 149 | 90.7 Ų | 90.7 | 70% | 0.696 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73.4 | -43.3 | 176.6 | -59.6 | 141.8 | 164.8 | 0 | 0 | 110.3 | S6 L10 K11 V12 | S6-E8 PolarHBondContact O-N 2.9Å; S6-E8 WeakPolarHBondContact OG-CB 3.35Å; S6-E8 PolarHBondContact OG-N 3.21Å; S6-E8 PolarHBondContact OG-OE2 2.97Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.82Å; E8-K11 PolarHBondContact O-N 2.88Å; E8-K11 VanDerWaalsContact O-N 3.15Å; E8-V12 WeakPolarHBondContact O-CG2 3.32Å; E8-V12 PolarHBondContact O-N 3.48Å |
| 9 | E | 76.9 | Confident | 70.2 | Confident | 90 Ų | 90 | 92.7 Ų | 92.7 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 177.2 | -67.2 | 174 | 140.9 | 0 | 0 | 111.7 | P5 S6 K11 V12 Q13 | P5-E9 VanDerWaalsContact CA-OE2 3.27Å; P5-E9 WeakPolarHBondContact CA-OE2 3.27Å; P5-E9 HydrophobicContact CB-CB 3.75Å; S6-E9 PolarHBondContact N-OE2 3.45Å; S6-E9 PolarHBondContact O-N 2.9Å; S6-E9 PolarHBondContact OG-N 2.86Å; S6-E9 VanDerWaalsContact OG-N 3.07Å; E9-K11 PolarHBondContact O-N 3.2Å; E9-V12 PolarHBondContact O-N 3.03Å; E9-Q13 WeakPolarHBondContact O-CB 3.46Å; E9-Q13 PolarHBondContact O-N 2.88Å |
| 10 | L | 77.6 | Confident | 69.9 | Low | 37 Ų | 37 | 92.5 Ų | 92.5 | 19% | 0.194 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 173.4 | -169.6 | 73.2 | 0 | 0 | 0 | 112.1 | S6 E8 T14 V111 V188 | S6-L10 PolarHBondContact O-N 2.84Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 2.82Å; L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 3.1Å; L10-V111 HydrophobicContact CD2-CG1 4.21Å; L10-V188 HydrophobicContact CD2-CG1 4.21Å |
| 11 | K | 80.8 | Confident | 69.3 | Low | 84 Ų | 84 | 94.6 Ų | 94.6 | 37% | 0.365 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.9 | -41 | 175.4 | -72.5 | -179.4 | -177.9 | -171.4 | 0 | 111.8 | L7 E8 E9 T14 I15 E159 | L7-K11 WeakPolarHBondContact O-CG 3.32Å; L7-K11 PolarHBondContact O-N 2.69Å; E8-K11 PolarHBondContact O-N 2.88Å; E8-K11 VanDerWaalsContact O-N 3.15Å; E9-K11 PolarHBondContact O-N 3.2Å; K11-T14 PolarHBondContact O-N 2.87Å; K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.26Å; K11-I15 WeakPolarHBondContact O-CG1 2.99Å; K11-I15 PolarHBondContact O-N 3.45Å; K11-E159 WeakPolarHBondContact CE-OE1 3.34Å; K11-E159 WeakPolarHBondContact CE-OE2 3.49Å; K11-E159 IonicContact NZ-OE1 3.21Å; K11-E159 PolarHBondContact NZ-OE1 3.23Å; K11-E159 IonicContact NZ-OE2 3.64Å; K11-E159 PolarHBondContact NZ-OE2 2.87Å |
| 12 | V | 78.3 | Confident | 69.4 | Low | 80 Ų | 80 | 92.8 Ų | 92.8 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | E8 E9 T14 I15 L16 | E8-V12 WeakPolarHBondContact O-CG2 3.32Å; E8-V12 PolarHBondContact O-N 3.48Å; E9-V12 PolarHBondContact O-N 3.03Å; V12-T14 PolarHBondContact O-N 3.35Å; V12-I15 PolarHBondContact O-N 2.99Å; V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.33Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.49Å |
| 13 | Q | 73.6 | Confident | 69 | Low | 99 Ų | 99 | 94.4 Ų | 94.4 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.6 | -170.9 | 61.2 | 48.9 | 0 | 0 | 111.3 | E9 I15 L16 D17 | E9-Q13 WeakPolarHBondContact O-CB 3.46Å; E9-Q13 PolarHBondContact O-N 2.88Å; Q13-I15 VanDerWaalsContact C-N 3.27Å; Q13-I15 PolarHBondContact O-N 3.36Å; Q13-L16 PolarHBondContact O-N 3.11Å; Q13-L16 VanDerWaalsContact O-N 3.14Å; Q13-D17 PolarHBondContact NE2-OD1 3.41Å; Q13-D17 PolarHBondContact NE2-OD2 2.77Å; Q13-D17 WeakPolarHBondContact O-CB 3.41Å; Q13-D17 PolarHBondContact O-N 3.01Å |
| 14 | T | 78.7 | Confident | 68 | Low | 75 Ų | 75 | 93 Ų | 93 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 175.8 | -52.3 | 0 | 0 | 0 | 0 | 112 | L10 K11 V12 S18 | L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 3.1Å; K11-T14 PolarHBondContact O-N 2.87Å; V12-T14 PolarHBondContact O-N 3.35Å; T14-S18 WeakPolarHBondContact O-CB 3.34Å; T14-S18 PolarHBondContact O-N 3.33Å; T14-S18 VanDerWaalsContact O-N 3.12Å; T14-S18 PolarHBondContact O-OG 3.45Å |
| 15 | I | 76.5 | Confident | 67 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 176.4 | -68.4 | 162.9 | 0 | 0 | 0 | 110.9 | K11 V12 Q13 S18 Q19 | K11-I15 WeakPolarHBondContact O-CD1 3.24Å; K11-I15 VanDerWaalsContact O-CG1 3.26Å; K11-I15 WeakPolarHBondContact O-CG1 2.99Å; K11-I15 PolarHBondContact O-N 3.45Å; V12-I15 PolarHBondContact O-N 2.99Å; Q13-I15 VanDerWaalsContact C-N 3.27Å; Q13-I15 PolarHBondContact O-N 3.36Å; I15-S18 PolarHBondContact O-N 2.82Å; I15-S18 PolarHBondContact O-OG 2.85Å; I15-Q19 WeakPolarHBondContact O-CG 3.19Å; I15-Q19 PolarHBondContact O-N 3.07Å; I15-Q19 VanDerWaalsContact O-N 3.07Å |
| 16 | L | 77.3 | Confident | 65.7 | Low | 91 Ų | 91 | 100 Ų | 100 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 178 | -71.4 | 168.6 | 0 | 0 | 0 | 111.7 | V12 Q13 S18 Q19 S20 | V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.33Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.49Å; Q13-L16 PolarHBondContact O-N 3.11Å; Q13-L16 VanDerWaalsContact O-N 3.14Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.88Å; L16-Q19 PolarHBondContact O-N 3.18Å; L16-Q19 VanDerWaalsContact O-N 3.07Å; L16-S20 PolarHBondContact O-N 3.06Å; L16-S20 PolarHBondContact O-OG 3.31Å |
| 17 | D | 77.3 | Confident | 63.5 | Low | 78 Ų | 78 | 107.3 Ų | 107.3 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.1 | -30.5 | 178.3 | -63.1 | -23.3 | 0 | 0 | 0 | 112.2 | Q13 S20 | Q13-D17 PolarHBondContact NE2-OD1 3.41Å; Q13-D17 PolarHBondContact NE2-OD2 2.77Å; Q13-D17 WeakPolarHBondContact O-CB 3.41Å; Q13-D17 PolarHBondContact O-N 3.01Å; D17-S20 PolarHBondContact O-OG 2.86Å |
| 18 | S | 73.6 | Confident | 61.7 | Low | 76 Ų | 76 | 110.6 Ų | 110.6 | 53% | 0.531 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.7 | -23.8 | 173 | 74.3 | 0 | 0 | 0 | 0 | 113.9 | T14 I15 L16 | T14-S18 WeakPolarHBondContact O-CB 3.34Å; T14-S18 PolarHBondContact O-N 3.33Å; T14-S18 VanDerWaalsContact O-N 3.12Å; T14-S18 PolarHBondContact O-OG 3.45Å; I15-S18 PolarHBondContact O-N 2.82Å; I15-S18 PolarHBondContact O-OG 2.85Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.88Å |
| 19 | Q | 69.3 | Low | 59.4 | Low | 129 Ų | 129 | 110.9 Ų | 110.9 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -85.3 | -34 | 176.4 | -71.8 | -175.6 | 28.2 | 0 | 0 | 112.8 | I15 L16 R22 | I15-Q19 WeakPolarHBondContact O-CG 3.19Å; I15-Q19 PolarHBondContact O-N 3.07Å; I15-Q19 VanDerWaalsContact O-N 3.07Å; L16-Q19 PolarHBondContact O-N 3.18Å; L16-Q19 VanDerWaalsContact O-N 3.07Å; Q19-R22 PolarHBondContact O-N 2.63Å |
| 20 | S | 62.8 | Low | 57.3 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.6 | -30.8 | 177.3 | 60.4 | 0 | 0 | 0 | 0 | 113 | L16 D17 R22 | L16-S20 PolarHBondContact O-N 3.06Å; L16-S20 PolarHBondContact O-OG 3.31Å; D17-S20 PolarHBondContact O-OG 2.86Å; S20-R22 VanDerWaalsContact C-N 3.29Å; S20-R22 PolarHBondContact O-N 2.77Å |
| 21 | N | 58.5 | Low | 55.2 | Low | 137 Ų | 137 | 119.9 Ų | 119.9 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 12.6 | 175.8 | -85.1 | -35 | 0 | 0 | 0 | 114.8 | P23 | N21-P23 WeakPolarHBondContact O-CD 3.27Š|
| 22 | R | 45 | Very low | 53 | Low | 203 Ų | 203 | 119.4 Ų | 119.4 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -72.3 | 121.8 | 169.3 | -112.3 | -178.3 | 173.4 | -174 | -2.2 | 109.3 | Q19 S20 T24 | Q19-R22 PolarHBondContact O-N 2.63Å; S20-R22 VanDerWaalsContact C-N 3.29Å; S20-R22 PolarHBondContact O-N 2.77Å; R22-T24 PolarHBondContact O-N 2.92Å; R22-T24 VanDerWaalsContact O-N 3.17Å |
| 23 | P | 39.9 | Very low | 50.9 | Low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 69% | 0.686 | S | S | * | * | trans | -63.8 | 121.9 | 175 | 26.2 | -32.9 | 0 | 0 | 0 | 109.2 | N21 T25 | N21-P23 WeakPolarHBondContact O-CD 3.27Å; P23-T25 VanDerWaalsContact C-N 3.33Å; P23-T25 PolarHBondContact O-N 2.89Å | ||
| 24 | T | 34 | Very low | 49 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | trans | -66.1 | 91.3 | 176.6 | -46.2 | 0 | 0 | 0 | 0 | 109.4 | R22 M26 | R22-T24 PolarHBondContact O-N 2.92Å; R22-T24 VanDerWaalsContact O-N 3.17Å; T24-M26 VanDerWaalsContact C-N 3.28Å; T24-M26 HydrophobicContact CG2-CE 4Å; T24-M26 PolarHBondContact O-N 3.05Å | ||
| 25 | T | 32.3 | Very low | 47 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -68.4 | 90.1 | 172.7 | -45.5 | 0 | 0 | 0 | 0 | 108.6 | P23 Q27 | P23-T25 VanDerWaalsContact C-N 3.33Å; P23-T25 PolarHBondContact O-N 2.89Å; T25-Q27 PolarHBondContact O-N 2.86Å | ||
| 26 | M | 36.8 | Very low | 45.1 | Very low | 157 Ų | 157 | 131 Ų | 131 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -55.7 | 109.1 | 171 | -79.7 | -84.4 | 101.3 | 0 | 0 | 108.9 | T24 S28 | T24-M26 VanDerWaalsContact C-N 3.28Å; T24-M26 HydrophobicContact CG2-CE 4Å; T24-M26 PolarHBondContact O-N 3.05Å; M26-S28 PolarHBondContact O-N 3.19Å | ||
| 27 | Q | 31.8 | Very low | 42.9 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -67.7 | 111.1 | 170.2 | -72.4 | 176.8 | -29.1 | 0 | 0 | 108.6 | T25 | T25-Q27 PolarHBondContact O-N 2.86Š| ||
| 28 | S | 36.2 | Very low | 40.7 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -123.1 | 126.8 | 158.8 | -166.9 | 0 | 0 | 0 | 0 | 108.6 | M26 | M26-S28 PolarHBondContact O-N 3.19Š| ||
| 29 | N | 30.7 | Very low | 38.7 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -59.9 | 141 | 176 | -81.4 | -27.4 | 0 | 0 | 0 | 111 | ||||
| 30 | C | 33.3 | Very low | 36.9 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | -179.4 | 103.5 | 121 | -96 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 31 | Q | 33.5 | Very low | 35.4 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | 27.6 | 123.1 | 138.4 | -61.3 | 172.2 | -17.3 | 0 | 0 | 120.8 | ||||
| 32 | G | 33.7 | Very low | 34.2 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 157.7 | 136 | 156.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 33 | P | 34.8 | Very low | 33.4 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -107.7 | 163.7 | -158.8 | 19.3 | 1.1 | 0 | 0 | 0 | 118.4 | ||||
| 34 | L | 32.9 | Very low | 33.3 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -59.3 | -173.6 | 174.6 | -64 | 158.5 | 0 | 0 | 0 | 115.4 | ||||
| 35 | P | 37.8 | Very low | 33.1 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | -138.9 | 174.8 | -56.1 | 40.8 | -25.4 | 0 | 0 | 0 | 113.2 | |||||
| 36 | Q | 35 | Very low | 33.3 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | 166 | 165.9 | 151.6 | -96.3 | 166 | 29 | 0 | 0 | 109.5 | ||||
| 37 | M | 32.4 | Very low | 33.1 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | cis | -169.6 | 153.1 | -41.5 | -170.3 | -173 | -90.1 | 0 | 0 | 107.4 | ||||
| 38 | N | 31.4 | Very low | 33.5 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | 67.1 | 100.8 | 157.7 | -76.1 | -4 | 0 | 0 | 0 | 122.7 | ||||
| 39 | S | 31 | Very low | 33.6 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | 77.7 | 154.8 | 105.7 | 77.3 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 40 | T | 30.6 | Very low | 34.1 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | 87.1 | 108.1 | 150.1 | 39.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 41 | L | 31 | Very low | 34.2 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | 90 | 143.5 | 129.2 | -106.4 | 79.9 | 0 | 0 | 0 | 122.4 | |||||
| 42 | M | 33.7 | Very low | 34.7 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | 70.3 | 128.8 | 163.7 | -51.1 | -103.5 | -83.2 | 0 | 0 | 115.1 | ||||
| 43 | G | 29.5 | Very low | 34.7 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 124.8 | 112.9 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 44 | N | 36.3 | Very low | 35 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -163.4 | 160.2 | 149.2 | -119.9 | -20.7 | 0 | 0 | 0 | 114.4 | ||||
| 45 | R | 30.7 | Very low | 35.7 | Very low | 212 Ų | 212 | 142.6 Ų | 142.6 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -71.9 | 158.9 | -175.8 | -59.7 | 164 | 171.3 | 167.3 | -6 | 112.5 | ||||
| 46 | N | 37 | Very low | 35.9 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | -158.1 | 148.7 | 105.9 | -91.8 | -11.5 | 0 | 0 | 0 | 111.2 | |||||
| 47 | E | 32.2 | Very low | 36.4 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -87.6 | 151.6 | -179.6 | -59.6 | 166.2 | 127.9 | 0 | 0 | 109.5 | ||||
| 48 | D | 40.2 | Very low | 36.9 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -155.6 | 139.4 | 139.7 | -110.7 | -34 | 0 | 0 | 0 | 111.7 | ||||
| 49 | N | 38.8 | Very low | 37.5 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -90.8 | 143 | -169.2 | -66.8 | -80.3 | 0 | 0 | 0 | 111.6 | ||||
| 50 | N | 39.7 | Very low | 38 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | -155 | 134.3 | 135.1 | -114.5 | -40.7 | 0 | 0 | 0 | 113.4 | ||||
| 51 | L | 36.6 | Very low | 38.1 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -108.6 | 113.6 | -168.6 | -179.6 | 70.8 | 0 | 0 | 0 | 109.8 | ||||
| 52 | S | 43.1 | Very low | 38.4 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -104 | 107 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 53 | S | 35 | Very low | 38.6 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 136 | 173.4 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 54 | Y | 40 | Very low | 38.8 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 63% | 0.627 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 141.8 | 176.6 | -66.4 | -90.6 | 0 | 0 | 0 | 110.3 | ||
| 55 | N | 48.5 | Very low | 38.9 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 51% | 0.508 | 76% | 0.755 | S | S | . | * | P | Polyproline II helix | trans | -78.3 | 166.7 | 166.2 | 64.7 | 35.8 | 0 | 0 | 0 | 110.8 | C57 G58 | N55-C57 PolarHBondContact O-N 3.27Å; N55-C57 PolarHBondContact OD1-N 3.4Å; N55-G58 PolarHBondContact O-N 2.97Å; N55-G58 VanDerWaalsContact O-N 3.15Å; N55-G58 PolarHBondContact OD1-N 3.14Å |
| 56 | S | 42.5 | Very low | 39 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 6.2 | -177.2 | 47.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 57 | C | 45 | Very low | 39.1 | Very low | 116 Ų | 116 | 127 Ų | 127 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 4 | 177.5 | -62 | 0 | 0 | 0 | 0 | 113.8 | N55 G59 | N55-C57 PolarHBondContact O-N 3.27Å; N55-C57 PolarHBondContact OD1-N 3.4Å; C57-G59 VanDerWaalsContact C-N 3.3Å; C57-G59 PolarHBondContact O-N 3.15Å |
| 58 | G | 42.2 | Very low | 39.3 | Very low | 57 Ų | 57 | 124.5 Ų | 124.5 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | trans | 68.3 | 18.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N55 | N55-G58 PolarHBondContact O-N 2.97Å; N55-G58 VanDerWaalsContact O-N 3.15Å; N55-G58 PolarHBondContact OD1-N 3.14Å | ||
| 59 | G | 44.4 | Very low | 39.1 | Very low | 40 Ų | 40 | 119.9 Ų | 119.9 | 41% | 0.412 | 75% | 0.751 | S | S | . | * | trans | -90.8 | 124.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C57 | C57-G59 VanDerWaalsContact C-N 3.3Å; C57-G59 PolarHBondContact O-N 3.15Å | ||
| 60 | S | 40.4 | Very low | 39.1 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -80.1 | 142.2 | 167.2 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 61 | V | 33.8 | Very low | 38.8 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -128.2 | 116.6 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | Y63 | V61-Y63 HydrophobicContact CG1-CE2 4.36Š| ||
| 62 | T | 37.6 | Very low | 38.9 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -141.9 | 130.2 | 171.3 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 63 | Y | 37.8 | Very low | 38.5 | Very low | 219 Ų | 219 | 122.9 Ų | 122.9 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | trans | -81.3 | 145.6 | 178.4 | -77.7 | -104.7 | 0 | 0 | 0 | 111.4 | V61 | V61-Y63 HydrophobicContact CG1-CE2 4.36Š| ||
| 64 | G | 33.1 | Very low | 38.7 | Very low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -97.3 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 65 | S | 38.6 | Very low | 38.4 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -158.7 | 152.8 | 163.4 | -81.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 66 | T | 33.7 | Very low | 37.9 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -124.6 | 151.1 | -164.6 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 67 | V | 38.4 | Very low | 37.2 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -146.3 | 153.8 | 154.2 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 68 | S | 35.2 | Very low | 36.7 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -131.9 | 171.5 | -160.7 | -44.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 69 | G | 37.3 | Very low | 36.1 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 125.4 | 154 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 70 | I | 37.8 | Very low | 35.7 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | cis | -151.3 | 159.1 | 1.2 | -60.1 | -173.7 | 0 | 0 | 0 | 110.4 | ||||
| 71 | F | 34 | Very low | 35.5 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -71.5 | 164.9 | 178.7 | -83.8 | -116.3 | 0 | 0 | 0 | 115.4 | ||||
| 72 | S | 38.9 | Very low | 35.4 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | 169 | 173.4 | 80.6 | -79.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 73 | Q | 34.9 | Very low | 35.4 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 83% | 0.833 | S | S | * | * | cis | -177.3 | 163.3 | -31.7 | -171 | 169.7 | 9.6 | 0 | 0 | 109.9 | ||||
| 74 | A | 39.5 | Very low | 35.5 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | trans | 74.8 | 149.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 75 | G | 32.5 | Very low | 35.7 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | cis | 171.3 | 169.6 | -7.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 76 | M | 37.4 | Very low | 36.2 | Very low | 201 Ų | 201 | 135.1 Ų | 135.1 | 99% | 0.99 | 82% | 0.821 | S | S | * | * | trans | 85.8 | 145.7 | 169.2 | -72.3 | -176.3 | 163.8 | 0 | 0 | 121.8 | ||||
| 77 | E | 29.8 | Very low | 36.5 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -99.1 | 158.7 | -168.4 | -57.3 | 159.3 | 97 | 0 | 0 | 113 | ||||
| 78 | C | 33.4 | Very low | 36.7 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | 173.9 | 147.4 | 108 | -160.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 79 | G | 30.5 | Very low | 37.4 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -108.6 | 145 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 80 | I | 35.5 | Very low | 37.9 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -145.5 | 140.3 | 162 | -37.9 | 174.6 | 0 | 0 | 0 | 109.1 | S82 | I80-S82 PolarHBondContact O-N 3.1Š| ||
| 81 | N | 35.8 | Very low | 38.8 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -62.8 | 129.6 | 172.2 | -60 | -42.9 | 0 | 0 | 0 | 111.3 | ||||
| 82 | S | 31.6 | Very low | 39.6 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -176.8 | 158.7 | 141.2 | -88.8 | 0 | 0 | 0 | 0 | 113.5 | I80 | I80-S82 PolarHBondContact O-N 3.1Š| ||
| 83 | M | 37.5 | Very low | 40.1 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -36.7 | 141.4 | -174.7 | -58.2 | -166.8 | -73.8 | 0 | 0 | 116.9 | I85 | M83-I85 PolarHBondContact O-N 2.82Š| ||
| 84 | S | 39.7 | Very low | 40.7 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -65.2 | 95 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 85 | I | 37.8 | Very low | 40.8 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 121.1 | 168.5 | -61.1 | 171.1 | 0 | 0 | 0 | 107.8 | M83 F88 | M83-I85 PolarHBondContact O-N 2.82Å; I85-F88 HydrophobicContact CG2-CE1 4.12Å |
| 86 | A | 49.8 | Very low | 41.6 | Very low | 80 Ų | 80 | 132 Ų | 132 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 131.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F88 | A86-F88 PolarHBondContact O-N 3.3Š|
| 87 | P | 39.8 | Very low | 41.9 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 116.6 | 179.4 | 28.1 | -33.2 | 0 | 0 | 0 | 110.3 | ||
| 88 | F | 41.8 | Very low | 43 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 122 | 172.9 | 31.3 | -92.7 | 0 | 0 | 0 | 110 | I85 A86 | I85-F88 HydrophobicContact CG2-CE1 4.12Å; A86-F88 PolarHBondContact O-N 3.3Å |
| 89 | S | 49.6 | Very low | 43.6 | Very low | 77 Ų | 77 | 125 Ų | 125 | 54% | 0.538 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -85.6 | 150.8 | 166.6 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | S91 | S89-S91 PolarHBondContact O-N 2.93Š|
| 90 | P | 48.2 | Very low | 44.5 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -77 | 34.6 | -176.1 | 33.1 | -37.5 | 0 | 0 | 0 | 113.5 | ||
| 91 | S | 56.2 | Low | 45 | Very low | 87 Ų | 87 | 122 Ų | 122 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -148.2 | 116.2 | 174.1 | -67.5 | 0 | 0 | 0 | 0 | 106.6 | S89 A93 | S89-S91 PolarHBondContact O-N 2.93Å; S91-A93 PolarHBondContact O-N 3.36Å |
| 92 | G | 50.9 | Low | 45.4 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 96% | 0.959 | 76% | 0.759 | S | S | * | * | trans | -69.3 | 36.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 93 | A | 50.1 | Low | 46.2 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | -80.3 | 123.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S91 C95 | S91-A93 PolarHBondContact O-N 3.36Å; A93-C95 PolarHBondContact O-N 3.43Å; A93-C95 VanDerWaalsContact O-N 3.09Å | ||
| 94 | L | 47.1 | Very low | 46.9 | Very low | 165 Ų | 165 | 115.3 Ų | 115.3 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -62.8 | 111.5 | 169.3 | -67.7 | 170 | 0 | 0 | 0 | 108.7 | L96 | L94-L96 PolarHBondContact O-N 3.15Š| ||
| 95 | C | 42.1 | Very low | 47.9 | Very low | 121 Ų | 121 | 110.6 Ų | 110.6 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -68.1 | 98 | 169 | -170.2 | 0 | 0 | 0 | 0 | 108 | A93 | A93-C95 PolarHBondContact O-N 3.43Å; A93-C95 VanDerWaalsContact O-N 3.09Å | ||
| 96 | L | 48.8 | Very low | 49.2 | Very low | 147 Ų | 147 | 107.5 Ų | 107.5 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.3 | 169.3 | -70 | 171.7 | 0 | 0 | 0 | 107.9 | L94 L98 | L94-L96 PolarHBondContact O-N 3.15Å; L96-L98 PolarHBondContact O-N 2.97Å |
| 97 | P | 44.1 | Very low | 49.7 | Very low | 118 Ų | 118 | 105.5 Ų | 105.5 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -59 | 128.1 | 175.5 | 25.5 | -33 | 0 | 0 | 0 | 108.4 | ||
| 98 | L | 51.7 | Low | 50.8 | Low | 160 Ų | 160 | 103.3 Ų | 103.3 | 84% | 0.838 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 135.2 | 170 | -79.4 | 151.7 | 0 | 0 | 0 | 108.3 | L96 A100 | L96-L98 PolarHBondContact O-N 2.97Å; L98-A100 PolarHBondContact O-N 3.15Å; L98-A100 VanDerWaalsContact O-N 3.16Å |
| 99 | P | 46.1 | Very low | 51.9 | Low | 101 Ų | 101 | 98.8 Ų | 98.8 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 128.4 | 174 | 24.6 | -32.4 | 0 | 0 | 0 | 107.7 | ||
| 100 | A | 50.8 | Low | 53.3 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 65% | 0.645 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 149.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L98 F102 | L98-A100 PolarHBondContact O-N 3.15Å; L98-A100 VanDerWaalsContact O-N 3.16Å; A100-F102 PolarHBondContact O-N 3.46Å |
| 101 | P | 46.3 | Very low | 55.3 | Low | 97 Ų | 97 | 89.7 Ų | 89.7 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 129.9 | 177.2 | -26 | 33.9 | 0 | 0 | 0 | 109.4 | D103 | P101-D103 PolarHBondContact O-N 2.84Š|
| 102 | F | 44.1 | Very low | 57 | Low | 161 Ų | 161 | 89 Ų | 89 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | trans | -58.3 | 109.9 | -173.9 | -67.9 | -79.2 | 0 | 0 | 0 | 109 | A100 C104 | A100-F102 PolarHBondContact O-N 3.46Å; F102-C104 VanDerWaalsContact C-N 3.33Å; F102-C104 PolarHBondContact O-N 2.95Å | ||
| 103 | D | 47 | Very low | 59 | Low | 90 Ų | 90 | 88 Ų | 88 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | trans | -57.1 | 96.1 | 177.6 | -97.7 | -7.8 | 0 | 0 | 0 | 109.3 | P101 I105 D106 K265 | P101-D103 PolarHBondContact O-N 2.84Å; D103-I105 PolarHBondContact O-N 3.03Å; D103-D106 PolarHBondContact O-N 2.99Å; D103-K265 VanDerWaalsContact CG-NZ 3.33Å; D103-K265 IonicContact OD2-NZ 3.47Å; D103-K265 PolarHBondContact OD2-NZ 3.08Å | ||
| 104 | C | 53.7 | Low | 61.1 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -5.7 | -174.8 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | F102 P295 F296 | F102-C104 VanDerWaalsContact C-N 3.33Å; F102-C104 PolarHBondContact O-N 2.95Å; C104-P295 HydrophobicContact CB-CB 4.26Å; C104-P295 VanDerWaalsContact SG-CB 3.59Å; C104-P295 VanDerWaalsContact SG-CG 3.54Å; C104-F296 PolarHBondContact SG-O 3.18Å |
| 105 | I | 60.7 | Low | 63.3 | Low | 26 Ų | 26 | 80.3 Ų | 80.3 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -27.5 | 174 | -54.3 | 168.9 | 0 | 0 | 0 | 111.2 | D103 I107 V197 K265 P295 | D103-I105 PolarHBondContact O-N 3.03Å; I105-I107 PolarHBondContact O-N 3.11Å; I105-V197 HydrophobicContact CG2-CG1 4.4Å; I105-K265 HydrophobicContact CB-CD 3.94Å; I105-K265 HydrophobicContact CD1-CD 4.19Å; I105-K265 HydrophobicContact CG2-CB 3.92Å; I105-K265 HydrophobicContact CG2-CD 3.64Å; I105-K265 HydrophobicContact CG2-CG 4.42Å; I105-P295 HydrophobicContact CG1-CG 4.39Å |
| 106 | D | 64.5 | Low | 65.9 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 39% | 0.39 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -69.1 | 114.9 | -175 | -73.2 | -1.7 | 0 | 0 | 0 | 111.3 | D103 K108 K265 | D103-D106 PolarHBondContact O-N 2.99Å; D106-K108 PolarHBondContact O-N 3.39Å; D106-K265 IonicContact OD1-NZ 3.91Å; D106-K265 PolarHBondContact OD1-NZ 2.8Å |
| 107 | I | 60.8 | Low | 68 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 20% | 0.2 | 41% | 0.405 | C | S | . | . | trans | -72.1 | 98.7 | 177.6 | -63.4 | 177 | 0 | 0 | 0 | 109.3 | I105 R192 E195 V197 T267 | I105-I107 PolarHBondContact O-N 3.11Å; I107-R192 HydrophobicContact CD1-CB 3.98Å; I107-R192 HydrophobicContact CG1-CB 4.42Å; I107-R192 VanDerWaalsContact CG1-CZ 3.49Å; I107-R192 HydrophobicContact CG2-CB 4.02Å; I107-E195 HydrophobicContact CD1-CB 3.52Å; I107-V197 HydrophobicContact CB-CG2 4.05Å; I107-V197 HydrophobicContact CD1-CG2 3.66Å; I107-V197 HydrophobicContact CG1-CG2 3.55Å; I107-T267 HydrophobicContact CD1-CG2 3.63Å | ||
| 108 | K | 63.2 | Low | 70.5 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | trans | -90.4 | 134.5 | 170.3 | -65.3 | 173.9 | 179.9 | 171.9 | 0 | 107.4 | Y4 D106 G110 | Y4-K108 HydrophobicContact CE1-CB 3.7Å; Y4-K108 HydrophobicContact CE1-CD 4.02Å; Y4-K108 HydrophobicContact CE1-CG 4.16Å; Y4-K108 WeakPolarHBondContact OH-CD 3.41Å; Y4-K108 VanDerWaalsContact OH-CG 3.24Å; Y4-K108 WeakPolarHBondContact OH-CG 3.39Å; D106-K108 PolarHBondContact O-N 3.39Å; K108-G110 PolarHBondContact O-N 3.41Å | ||
| 109 | P | 64.8 | Low | 72.5 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | trans | -74.8 | 34.4 | -178.9 | 33.3 | -37.8 | 0 | 0 | 0 | 112.8 | Y4 | Y4-P109 HydrophobicContact CD2-CG 4.14Å; Y4-P109 HydrophobicContact CE2-CG 4.23Å | ||
| 110 | G | 77.4 | Confident | 74.7 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | trans | -72.3 | 154.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K108 R190 D191 | K108-G110 PolarHBondContact O-N 3.41Å; G110-R190 WeakPolarHBondContact O-CA 3.43Å; G110-D191 PolarHBondContact O-N 3.36Å; G110-D191 VanDerWaalsContact O-N 3.15Å | ||
| 111 | V | 90.5 | Very high | 76.7 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.8 | 164.3 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | L10 L158 V188 L189 R190 | L10-V111 HydrophobicContact CD2-CG1 4.21Å; V111-L158 HydrophobicContact CG1-CD1 3.91Å; V111-L158 HydrophobicContact CG2-CD1 3.98Å; V111-V188 HydrophobicContact CG1-CG1 3.37Å; V111-L189 CarbonylContact C-O 3.57Å; V111-L189 VanDerWaalsContact CA-O 3.25Å; V111-L189 WeakPolarHBondContact CA-O 3.2Å; V111-R190 HydrophobicContact CG2-CB 4.36Å |
| 112 | R | 92.2 | Very high | 78.8 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 28% | 0.275 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.9 | 177.4 | 60.3 | 172.2 | 166.7 | 142.1 | 5.4 | 111.9 | V114 G150 D155 L189 D191 | R112-V114 HydrophobicContact CG-CG2 4.38Å; R112-G150 PolarHBondContact NH1-O 3.06Å; R112-G150 PolarHBondContact NH2-O 3.15Å; R112-D155 IonicContact NH2-OD2 3.12Å; R112-D155 PolarHBondContact NH2-OD2 2.92Å; R112-L189 HydrophobicContact CG-CB 4.48Å; R112-L189 PolarHBondContact N-O 2.87Å; R112-L189 PolarHBondContact O-N 3.48Å; R112-D191 IonicContact CZ-OD1 2.72Å; R112-D191 IonicContact CZ-OD2 3.93Å; R112-D191 VanDerWaalsContact NE-CG 3.29Å; R112-D191 IonicContact NE-OD1 3.02Å; R112-D191 PolarHBondContact NE-OD1 2.98Å; R112-D191 IonicContact NE-OD2 2.65Å; R112-D191 PolarHBondContact NE-OD2 2.8Å; R112-D191 VanDerWaalsContact NE-OD2 3.12Å; R112-D191 IonicContact NH2-OD1 2.71Å; R112-D191 PolarHBondContact NH2-OD1 2.84Å |
| 113 | L | 93.1 | Very high | 81.2 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.9 | 168.7 | 177.1 | 63.9 | 0 | 0 | 0 | 109 | R186 V188 | L113-R186 HydrophobicContact CD1-CB 3.9Å; L113-R186 HydrophobicContact CD1-CG 4.09Å; L113-V188 HydrophobicContact CD1-CG2 4.1Å |
| 114 | V | 93.8 | Very high | 83.5 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.3 | 170.8 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | R112 L116 G149 V151 L187 L189 | R112-V114 HydrophobicContact CG-CG2 4.38Å; V114-L116 HydrophobicContact CG1-CD2 3.53Å; V114-L116 HydrophobicContact CG1-CG 3.94Å; V114-G149 VanDerWaalsContact CG1-O 3.28Å; V114-G149 WeakPolarHBondContact CG1-O 3.37Å; V114-V151 HydrophobicContact CG1-CG2 4.23Å; V114-L187 PolarHBondContact N-O 3.31Å; V114-L187 PolarHBondContact O-N 2.97Å; V114-L189 HydrophobicContact CB-CD1 4.39Å; V114-L189 HydrophobicContact CG2-CD1 3.85Å; V114-L189 HydrophobicContact CG2-CG 4.44Å |
| 115 | T | 94.7 | Very high | 85.5 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.9 | 175.5 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | N184 I185 | T115-N184 HydrophobicContact CG2-CB 4.41Å; T115-I185 CarbonylContact C-O 3.53Å; T115-I185 WeakPolarHBondContact CA-O 3.32Å |
| 116 | L | 95.4 | Very high | 87.2 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 157 | -175.4 | -58.1 | -179.4 | 0 | 0 | 0 | 111.7 | V114 V124 P145 A146 V151 N184 I185 L187 | V114-L116 HydrophobicContact CG1-CD2 3.53Å; V114-L116 HydrophobicContact CG1-CG 3.94Å; L116-V124 HydrophobicContact CB-CG1 4.22Å; L116-V124 HydrophobicContact CD1-CG1 3.45Å; L116-V124 VanDerWaalsContact CD1-CG1 3.45Å; L116-V124 HydrophobicContact CG-CG1 4.44Å; L116-P145 WeakPolarHBondContact CD2-O 3.13Å; L116-A146 HydrophobicContact CD1-CB 4.16Å; L116-V151 HydrophobicContact CD1-CG2 4.12Å; L116-V151 HydrophobicContact CD2-CG2 4.48Å; L116-N184 PolarHBondContact O-N 3.27Å; L116-I185 HydrophobicContact CB-CB 4.34Å; L116-I185 PolarHBondContact N-O 3.01Å; L116-I185 PolarHBondContact O-N 2.92Å; L116-L187 HydrophobicContact CD1-CD1 3.54Å; L116-L187 HydrophobicContact CD1-CG 4.2Å |
| 117 | C | 94.3 | Very high | 88.6 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | trans | -113.2 | 165.3 | 164.6 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | P145 P182 | C117-P145 WeakPolarHBondContact O-CB 3.35Å; C117-P145 WeakPolarHBondContact O-CG 3.44Å; C117-P182 CarbonylContact C-O 3.59Å; C117-P182 WeakPolarHBondContact CA-O 3.21Å | ||
| 118 | K | 95 | Very high | 90.3 | Very high | 34 Ų | 34 | 56 Ų | 56 | 15% | 0.148 | 29% | 0.294 | C | S | . | . | trans | -87.8 | 143.5 | 166.1 | -63.5 | -176 | 179.3 | 174.6 | 0 | 108.6 | G122 K123 V124 K178 S180 P182 I185 | K118-G122 WeakPolarHBondContact CD-O 3.18Å; K118-K123 WeakPolarHBondContact CA-O 3.37Å; K118-V124 HydrophobicContact CG-CG2 3.94Å; K118-K178 PolarHBondContact NZ-O 3.5Å; K118-S180 WeakPolarHBondContact CE-O 3.29Å; K118-S180 PolarHBondContact NZ-O 3.18Å; K118-P182 PolarHBondContact N-O 2.71Å; K118-I185 HydrophobicContact CD-CD1 4.41Å; K118-I185 HydrophobicContact CG-CD1 3.83Å | ||
| 119 | N | 93.9 | Very high | 91.9 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | trans | -71 | 177.7 | 167.3 | 67.6 | 10.1 | 0 | 0 | 0 | 111.3 | F121 G122 K123 P145 | N119-F121 PolarHBondContact O-N 3.26Å; N119-F121 WeakPolarHBondContact OD1-CB 3.34Å; N119-F121 PolarHBondContact OD1-N 3Å; N119-F121 VanDerWaalsContact OD1-N 3.13Å; N119-G122 PolarHBondContact O-N 2.86Å; N119-G122 PolarHBondContact OD1-N 2.98Å; N119-K123 PolarHBondContact N-O 2.98Å; N119-K123 WeakPolarHBondContact OD1-CB 3.34Å; N119-K123 PolarHBondContact OD1-N 3.03Å; N119-K123 PolarHBondContact OD1-O 2.78Å; N119-K123 VanDerWaalsContact OD1-O 3.07Å; N119-P145 HydrophobicContact CB-CG 4.1Å | ||
| 120 | E | 93 | Very high | 93.3 | Very high | 190 Ų | 190 | 54.9 Ų | 54.9 | 89% | 0.888 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -29.8 | 177.8 | -61.9 | 170.2 | -176.7 | 0 | 0 | 113.4 | G122 | E120-G122 VanDerWaalsContact C-N 3.28Å; E120-G122 PolarHBondContact O-N 3.3Å |
| 121 | F | 92.1 | Very high | 94.2 | Very high | 154 Ų | 154 | 54.9 Ų | 54.9 | 68% | 0.675 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 8.2 | 177.2 | -53.2 | -72 | 0 | 0 | 0 | 114.2 | N119 K123 | N119-F121 PolarHBondContact O-N 3.26Å; N119-F121 WeakPolarHBondContact OD1-CB 3.34Å; N119-F121 PolarHBondContact OD1-N 3Å; N119-F121 VanDerWaalsContact OD1-N 3.13Å; F121-K123 VanDerWaalsContact C-N 3.3Å; F121-K123 HydrophobicContact CB-CD 4.42Å; F121-K123 HydrophobicContact CB-CG 4.49Å; F121-K123 PolarHBondContact O-N 3.36Å |
| 122 | G | 91.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 69.1 | 24.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K118 N119 E120 | K118-G122 WeakPolarHBondContact CD-O 3.18Å; N119-G122 PolarHBondContact O-N 2.86Å; N119-G122 PolarHBondContact OD1-N 2.98Å; E120-G122 VanDerWaalsContact C-N 3.28Å; E120-G122 PolarHBondContact O-N 3.3Å |
| 123 | K | 93.7 | Very high | 94.3 | Very high | 123 Ų | 123 | 65.1 Ų | 65.1 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | trans | -117.5 | 145.3 | -177.3 | -63.1 | 175 | -173.3 | 171.2 | 0 | 111.9 | K118 N119 F121 | K118-K123 WeakPolarHBondContact CA-O 3.37Å; N119-K123 PolarHBondContact N-O 2.98Å; N119-K123 WeakPolarHBondContact OD1-CB 3.34Å; N119-K123 PolarHBondContact OD1-N 3.03Å; N119-K123 PolarHBondContact OD1-O 2.78Å; N119-K123 VanDerWaalsContact OD1-O 3.07Å; F121-K123 VanDerWaalsContact C-N 3.3Å; F121-K123 HydrophobicContact CB-CD 4.42Å; F121-K123 HydrophobicContact CB-CG 4.49Å; F121-K123 PolarHBondContact O-N 3.36Å | ||
| 124 | V | 95.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | trans | -90.5 | -22.9 | 174.1 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | L116 K118 I126 A146 L177 I185 | L116-V124 HydrophobicContact CB-CG1 4.22Å; L116-V124 HydrophobicContact CD1-CG1 3.45Å; L116-V124 VanDerWaalsContact CD1-CG1 3.45Å; L116-V124 HydrophobicContact CG-CG1 4.44Å; K118-V124 HydrophobicContact CG-CG2 3.94Å; V124-I126 HydrophobicContact CG1-CD1 4.36Å; V124-I126 HydrophobicContact CG1-CG1 4.26Å; V124-A146 HydrophobicContact CG1-CB 4.04Å; V124-A146 WeakPolarHBondContact O-CB 3.33Å; V124-A146 PolarHBondContact O-N 2.73Å; V124-A146 VanDerWaalsContact O-N 3.12Å; V124-L177 HydrophobicContact CB-CD2 4.46Å; V124-L177 HydrophobicContact CG2-CD1 4.31Å; V124-L177 HydrophobicContact CG2-CG 4.39Å; V124-I185 HydrophobicContact CG2-CD1 3.59Å | ||
| 125 | G | 95.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 88.6 | 24.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V140 E141 | G125-V140 CarbonylContact O-C 3.52Å; G125-V140 WeakPolarHBondContact O-CA 3.25Å; G125-E141 WeakPolarHBondContact O-CB 3.5Å; G125-E141 PolarHBondContact O-N 2.75Å |
| 126 | I | 96 | Very high | 94.7 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154.6 | 176.2 | 58.5 | 179.7 | 0 | 0 | 0 | 112.8 | V124 L128 F139 V140 A146 V151 M174 L177 L187 | V124-I126 HydrophobicContact CG1-CD1 4.36Å; V124-I126 HydrophobicContact CG1-CG1 4.26Å; I126-L128 HydrophobicContact CD1-CD2 4.14Å; I126-F139 VanDerWaalsContact CA-O 3.32Å; I126-F139 WeakPolarHBondContact CA-O 3.38Å; I126-V140 HydrophobicContact CG2-CG1 4.28Å; I126-V140 HydrophobicContact CG2-CG2 4.18Å; I126-A146 HydrophobicContact CG2-CB 3.28Å; I126-V151 HydrophobicContact CG2-CG1 4.3Å; I126-M174 WeakPolarHBondContact O-CE 3.42Å; I126-L177 HydrophobicContact CD1-CD2 3.74Å; I126-L177 HydrophobicContact CG1-CD2 3.63Å; I126-L187 HydrophobicContact CD1-CD1 4.01Å |
| 127 | Q | 95.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.3 | 163.3 | -55.5 | -173.6 | 41.1 | 0 | 0 | 110.1 | S138 F139 | Q127-S138 PolarHBondContact O-N 2.89Å; Q127-S138 PolarHBondContact O-OG 2.76Å; Q127-F139 HydrophobicContact CB-CB 4.01Å; Q127-F139 HydrophobicContact CG-CB 4.1Å; Q127-F139 HydrophobicContact CG-CD1 4.08Å; Q127-F139 PolarHBondContact N-O 3.4Å |
| 128 | L | 96.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.2 | 179.6 | -59.7 | -179 | 0 | 0 | 0 | 110.9 | I126 I135 F136 V137 V157 I160 M174 | I126-L128 HydrophobicContact CD1-CD2 4.14Å; L128-I135 HydrophobicContact CB-CG2 3.89Å; L128-I135 HydrophobicContact CD1-CG2 4.03Å; L128-I135 HydrophobicContact CD2-CG2 4.29Å; L128-I135 HydrophobicContact CG-CG2 4.29Å; L128-F136 CarbonylContact C-O 3.55Å; L128-F136 WeakPolarHBondContact CA-O 3.33Å; L128-V137 HydrophobicContact CD2-CG2 3.97Å; L128-V157 HydrophobicContact CD1-CG2 4.46Å; L128-V157 HydrophobicContact CD2-CG2 3.63Å; L128-I160 HydrophobicContact CD1-CD1 3.96Å; L128-M174 HydrophobicContact CB-CG 4.1Å; L128-M174 HydrophobicContact CB-SD 3.75Å; L128-M174 HydrophobicContact CD1-SD 4.18Å; L128-M174 HydrophobicContact CG-SD 3.72Å; L128-M174 PolarHBondContact N-SD 3.46Å; L128-M174 VanDerWaalsContact N-SD 3.36Å |
| 129 | K | 95.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.6 | -178.9 | -166.1 | 70.2 | 175.4 | -174.8 | 0 | 110.7 | I131 F136 L277 S280 | K129-I131 HydrophobicContact CG-CG1 4.4Å; K129-F136 PolarHBondContact N-O 3.31Å; K129-F136 PolarHBondContact O-N 2.73Å; K129-L277 HydrophobicContact CB-CD2 4.4Å; K129-S280 PolarHBondContact NZ-OG 3.09Å |
| 130 | E | 95.9 | Very high | 95.1 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 41% | 0.407 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.9 | 170.8 | -171.5 | -162.7 | 154.7 | 0 | 0 | 110.5 | G134 I135 S169 | E130-G134 CarbonylContact C-O 3.59Å; E130-G134 WeakPolarHBondContact CA-O 3.47Å; E130-I135 HydrophobicContact CB-CD1 4.16Å; E130-I135 HydrophobicContact CG-CD1 4.4Å; E130-S169 WeakPolarHBondContact OE2-CA 3.45Å |
| 131 | I | 95.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 122.7 | 170.6 | -58.3 | 176.9 | 0 | 0 | 0 | 108 | K129 K133 G134 F136 F273 K276 L277 | K129-I131 HydrophobicContact CG-CG1 4.4Å; I131-K133 VanDerWaalsContact C-N 3.3Å; I131-K133 PolarHBondContact O-N 3.42Å; I131-G134 PolarHBondContact N-O 2.87Å; I131-G134 WeakPolarHBondContact O-CA 2.92Å; I131-G134 PolarHBondContact O-N 2.95Å; I131-F136 HydrophobicContact CB-CD2 3.82Å; I131-F136 HydrophobicContact CB-CE2 3.94Å; I131-F136 HydrophobicContact CD1-CD2 4.41Å; I131-F136 HydrophobicContact CG1-CD2 4.26Å; I131-F136 WeakPolarHBondContact O-CE2 3.36Å; I131-F273 HydrophobicContact CB-CE2 4.27Å; I131-F273 HydrophobicContact CD1-CD2 4.05Å; I131-F273 HydrophobicContact CD1-CE2 3.6Å; I131-F273 HydrophobicContact CD1-CZ 3.96Å; I131-F273 HydrophobicContact CG2-CD2 4.14Å; I131-F273 HydrophobicContact CG2-CE2 3.88Å; I131-K276 HydrophobicContact CD1-CB 3.72Å; I131-K276 HydrophobicContact CG1-CB 4.16Å; I131-K276 HydrophobicContact CG2-CD 3.95Å; I131-L277 HydrophobicContact CD1-CD2 3.56Å; I131-L277 HydrophobicContact CD1-CG 3.78Å |
| 132 | Q | 93 | Very high | 95.3 | Very high | 149 Ų | 149 | 39 Ų | 39 | 70% | 0.696 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.8 | 175.5 | -65 | 175.5 | -29.6 | 0 | 0 | 113.9 | G134 | Q132-G134 PolarHBondContact O-N 2.9Š|
| 133 | K | 92.7 | Very high | 95.2 | Very high | 153 Ų | 153 | 46 Ų | 46 | 67% | 0.665 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 2.4 | -174.1 | -50.2 | 179.6 | 178.9 | -178.4 | 0 | 115.7 | I131 G167 | I131-K133 VanDerWaalsContact C-N 3.3Å; I131-K133 PolarHBondContact O-N 3.42Å; K133-G167 PolarHBondContact O-N 2.91Å |
| 134 | G | 95.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 155 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E130 I131 Q132 | E130-G134 CarbonylContact C-O 3.59Å; E130-G134 WeakPolarHBondContact CA-O 3.47Å; I131-G134 PolarHBondContact N-O 2.87Å; I131-G134 WeakPolarHBondContact O-CA 2.92Å; I131-G134 PolarHBondContact O-N 2.95Å; Q132-G134 PolarHBondContact O-N 2.9Å |
| 135 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130 | 174.1 | -59.8 | -61.7 | 0 | 0 | 0 | 108.9 | L128 E130 Q156 V157 V165 C168 S173 | L128-I135 HydrophobicContact CB-CG2 3.89Å; L128-I135 HydrophobicContact CD1-CG2 4.03Å; L128-I135 HydrophobicContact CD2-CG2 4.29Å; L128-I135 HydrophobicContact CG-CG2 4.29Å; E130-I135 HydrophobicContact CB-CD1 4.16Å; E130-I135 HydrophobicContact CG-CD1 4.4Å; I135-Q156 CarbonylContact O-C 3.58Å; I135-Q156 WeakPolarHBondContact O-CA 3.49Å; I135-Q156 WeakPolarHBondContact O-CG 3.44Å; I135-V157 HydrophobicContact CB-CB 4.31Å; I135-V157 HydrophobicContact CG2-CB 4.02Å; I135-V157 HydrophobicContact CG2-CG2 4.2Å; I135-V157 PolarHBondContact O-N 2.81Å; I135-V165 HydrophobicContact CB-CG2 4.02Å; I135-V165 HydrophobicContact CG1-CB 4.06Å; I135-V165 HydrophobicContact CG1-CG2 3.89Å; I135-V165 WeakPolarHBondContact CG1-O 3.44Å; I135-C168 WeakPolarHBondContact CD1-O 3.22Å; I135-S173 WeakPolarHBondContact CD1-OG 3.3Å; I135-S173 WeakPolarHBondContact CG1-OG 3.2Å |
| 136 | F | 97.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.4 | -175.6 | -62.5 | -90 | 0 | 0 | 0 | 111.6 | L128 K129 I131 S138 D155 Q156 P193 F194 F273 L277 | L128-F136 CarbonylContact C-O 3.55Å; L128-F136 WeakPolarHBondContact CA-O 3.33Å; K129-F136 PolarHBondContact N-O 3.31Å; K129-F136 PolarHBondContact O-N 2.73Å; I131-F136 HydrophobicContact CB-CD2 3.82Å; I131-F136 HydrophobicContact CB-CE2 3.94Å; I131-F136 HydrophobicContact CD1-CD2 4.41Å; I131-F136 HydrophobicContact CG1-CD2 4.26Å; I131-F136 WeakPolarHBondContact O-CE2 3.36Å; F136-S138 PolarHBondContact O-N 2.86Å; F136-D155 CarbonylContact C-O 3.47Å; F136-D155 VanDerWaalsContact CA-O 3.28Å; F136-D155 WeakPolarHBondContact CA-O 3.19Å; F136-Q156 HydrophobicContact CD1-CB 3.76Å; F136-Q156 HydrophobicContact CD1-CG 4.04Å; F136-Q156 HydrophobicContact CE1-CB 3.54Å; F136-Q156 HydrophobicContact CE1-CG 3.59Å; F136-Q156 HydrophobicContact CZ-CB 4.33Å; F136-Q156 HydrophobicContact CZ-CG 3.86Å; F136-P193 HydrophobicContact CE1-CG 4Å; F136-F194 HydrophobicContact CE1-CD2 4.05Å; F136-F194 AromaticContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CD2 4.47Å; F136-F194 AromaticContact CZ-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CE2 3.67Å; F136-F273 AromaticContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD2-CZ 4.4Å; F136-F273 HydrophobicContact CE1-CE2 4.45Å; F136-F273 AromaticContact CE1-CZ 3.97Å; F136-F273 HydrophobicContact CE1-CZ 3.97Å; F136-F273 AromaticContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CZ-CE2 4.46Å; F136-F273 HydrophobicContact CZ-CZ 4.41Å; F136-L277 HydrophobicContact CB-CD2 3.72Å |
| 137 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 112.1 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 109 | L128 V140 V151 R152 G154 D155 V157 | L128-V137 HydrophobicContact CD2-CG2 3.97Å; V137-V140 HydrophobicContact CG1-CG2 3.47Å; V137-V140 VanDerWaalsContact CG1-CG2 3.47Å; V137-V151 HydrophobicContact CG1-CG1 4.16Å; V137-V151 HydrophobicContact CG2-CG1 3.85Å; V137-R152 WeakPolarHBondContact CB-O 3.43Å; V137-R152 WeakPolarHBondContact CG1-O 3.37Å; V137-G154 PolarHBondContact O-N 3.15Å; V137-D155 HydrophobicContact CB-CB 4.34Å; V137-D155 HydrophobicContact CG2-CB 3.97Å; V137-D155 PolarHBondContact N-O 2.85Å; V137-V157 HydrophobicContact CG2-CG2 4.2Å |
| 138 | S | 96 | Very high | 95 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -16.9 | 179.3 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | Q127 F136 F153 L277 L281 | Q127-S138 PolarHBondContact O-N 2.89Å; Q127-S138 PolarHBondContact O-OG 2.76Å; F136-S138 PolarHBondContact O-N 2.86Å; S138-F153 VanDerWaalsContact O-CD2 3.27Å; S138-F153 WeakPolarHBondContact O-CD2 3.45Å; S138-F153 WeakPolarHBondContact O-CE2 3.28Å; S138-L277 WeakPolarHBondContact CB-O 3.45Å; S138-L281 WeakPolarHBondContact O-CD1 3.4Å |
| 139 | F | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 140.6 | 178.5 | 178.3 | -102.3 | 0 | 0 | 0 | 110.1 | I126 Q127 E141 L281 Q285 L286 Q289 M290 | I126-F139 VanDerWaalsContact CA-O 3.32Å; I126-F139 WeakPolarHBondContact CA-O 3.38Å; Q127-F139 HydrophobicContact CB-CB 4.01Å; Q127-F139 HydrophobicContact CG-CB 4.1Å; Q127-F139 HydrophobicContact CG-CD1 4.08Å; Q127-F139 PolarHBondContact N-O 3.4Å; F139-E141 HydrophobicContact CE1-CB 3.84Å; F139-E141 HydrophobicContact CZ-CB 4.31Å; F139-L281 HydrophobicContact CB-CD1 4Å; F139-L281 HydrophobicContact CB-CD2 4.43Å; F139-Q285 HydrophobicContact CD2-CG 4.32Å; F139-Q285 HydrophobicContact CE1-CG 4.46Å; F139-Q285 HydrophobicContact CE2-CG 3.76Å; F139-Q285 HydrophobicContact CZ-CG 3.85Å; F139-L286 HydrophobicContact CD2-CD2 4.07Å; F139-Q289 HydrophobicContact CE2-CB 4.23Å; F139-Q289 HydrophobicContact CZ-CB 3.63Å; F139-M290 HydrophobicContact CD2-SD 3.58Å; F139-M290 VanDerWaalsContact CD2-SD 3.58Å; F139-M290 HydrophobicContact CE2-CB 4.04Å; F139-M290 HydrophobicContact CE2-SD 3.98Å; F139-M290 HydrophobicContact CG-SD 4.34Å |
| 140 | V | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.3 | 170.5 | -172.7 | 0 | 0 | 0 | 0 | 107.3 | G125 I126 V137 A146 A147 V151 M290 D291 | G125-V140 CarbonylContact O-C 3.52Å; G125-V140 WeakPolarHBondContact O-CA 3.25Å; I126-V140 HydrophobicContact CG2-CG1 4.28Å; I126-V140 HydrophobicContact CG2-CG2 4.18Å; V137-V140 HydrophobicContact CG1-CG2 3.47Å; V137-V140 VanDerWaalsContact CG1-CG2 3.47Å; V140-A146 HydrophobicContact CG1-CB 4.22Å; V140-A147 HydrophobicContact CG1-CB 4.05Å; V140-V151 HydrophobicContact CG2-CG1 4.3Å; V140-M290 HydrophobicContact CB-CE 3.75Å; V140-M290 HydrophobicContact CG2-CE 4.09Å; V140-M290 CarbonylContact O-C 3.54Å; V140-M290 WeakPolarHBondContact O-CA 3.36Å; V140-D291 HydrophobicContact CB-CB 4.45Å; V140-D291 HydrophobicContact CG1-CB 4.28Å; V140-D291 PolarHBondContact O-N 3.25Å |
| 141 | E | 95.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 29% | 0.285 | 20% | 0.197 | S | C | . | . | B | Isolated β-bridge | trans | -77.2 | 131 | 179.1 | -172.7 | 167.1 | -150.2 | 0 | 0 | 110.2 | G125 F139 S144 Q289 | G125-E141 WeakPolarHBondContact O-CB 3.5Å; G125-E141 PolarHBondContact O-N 2.75Å; F139-E141 HydrophobicContact CE1-CB 3.84Å; F139-E141 HydrophobicContact CZ-CB 4.31Å; E141-S144 WeakPolarHBondContact O-CB 3.24Å; E141-S144 PolarHBondContact O-N 2.91Å; E141-S144 PolarHBondContact O-OG 3.25Å; E141-Q289 WeakPolarHBondContact CA-O 3.48Å |
| 142 | G | 93.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 22% | 0.216 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 140.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S144 Q289 | G142-S144 PolarHBondContact O-N 3.13Å; G142-Q289 PolarHBondContact N-O 2.75Å |
| 143 | F | 91.2 | Very high | 94.5 | Very high | 190 Ų | 190 | 31.5 Ų | 31.5 | 83% | 0.833 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 10.2 | -176.5 | -47.9 | -79.9 | 0 | 0 | 0 | 115.6 | ||
| 144 | S | 94.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -75.1 | 161.3 | 173.9 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | E141 G142 A146 A147 L148 | E141-S144 WeakPolarHBondContact O-CB 3.24Å; E141-S144 PolarHBondContact O-N 2.91Å; E141-S144 PolarHBondContact O-OG 3.25Å; G142-S144 PolarHBondContact O-N 3.13Å; S144-A146 PolarHBondContact O-N 2.98Å; S144-A146 VanDerWaalsContact O-N 3.14Å; S144-A147 WeakPolarHBondContact O-CB 3.11Å; S144-A147 PolarHBondContact O-N 2.92Å; S144-A147 PolarHBondContact OG-N 3.18Å; S144-L148 PolarHBondContact O-N 3.38Å |
| 145 | P | 94.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 24 Ų | 24 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.2 | -34.6 | 173.6 | -29.1 | 36.1 | 0 | 0 | 0 | 114 | L116 C117 N119 L148 G149 | L116-P145 WeakPolarHBondContact CD2-O 3.13Å; C117-P145 WeakPolarHBondContact O-CB 3.35Å; C117-P145 WeakPolarHBondContact O-CG 3.44Å; N119-P145 HydrophobicContact CB-CG 4.1Å; P145-L148 PolarHBondContact O-N 3.42Å; P145-G149 PolarHBondContact O-N 3.47Å |
| 146 | A | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.8 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L116 V124 I126 V140 S144 L148 G149 G150 V151 | L116-A146 HydrophobicContact CD1-CB 4.16Å; V124-A146 HydrophobicContact CG1-CB 4.04Å; V124-A146 WeakPolarHBondContact O-CB 3.33Å; V124-A146 PolarHBondContact O-N 2.73Å; V124-A146 VanDerWaalsContact O-N 3.12Å; I126-A146 HydrophobicContact CG2-CB 3.28Å; V140-A146 HydrophobicContact CG1-CB 4.22Å; S144-A146 PolarHBondContact O-N 2.98Å; S144-A146 VanDerWaalsContact O-N 3.14Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-G149 CarbonylContact O-C 3.51Å; A146-G149 PolarHBondContact O-N 2.77Å; A146-G150 PolarHBondContact O-N 2.91Å; A146-V151 HydrophobicContact CB-CB 4.14Å; A146-V151 HydrophobicContact CB-CG2 4.08Å; A146-V151 WeakPolarHBondContact O-CB 3.3Å; A146-V151 WeakPolarHBondContact O-CG2 3.31Å; A146-V151 PolarHBondContact O-N 2.86Å |
| 147 | A | 93.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.033 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V140 S144 G149 G150 D291 | V140-A147 HydrophobicContact CG1-CB 4.05Å; S144-A147 WeakPolarHBondContact O-CB 3.11Å; S144-A147 PolarHBondContact O-N 2.92Å; S144-A147 PolarHBondContact OG-N 3.18Å; A147-G149 PolarHBondContact O-N 3.18Å; A147-G150 PolarHBondContact O-N 3.34Å; A147-D291 HydrophobicContact CB-CB 4.05Å |
| 148 | L | 92.2 | Very high | 94.6 | Very high | 114 Ų | 114 | 25.5 Ų | 25.5 | 60% | 0.597 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -64.9 | -36.5 | 175.3 | -64 | 175 | 0 | 0 | 0 | 112.7 | S144 P145 A146 G150 | S144-L148 PolarHBondContact O-N 3.38Å; P145-L148 PolarHBondContact O-N 3.42Å; A146-L148 VanDerWaalsContact C-N 3.32Å; L148-G150 PolarHBondContact O-N 2.79Å |
| 149 | G | 91.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 25.8 Ų | 25.8 | 27% | 0.268 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 2.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114.8 | V114 P145 A146 A147 V151 | V114-G149 VanDerWaalsContact CG1-O 3.28Å; V114-G149 WeakPolarHBondContact CG1-O 3.37Å; P145-G149 PolarHBondContact O-N 3.47Å; A146-G149 CarbonylContact O-C 3.51Å; A146-G149 PolarHBondContact O-N 2.77Å; A147-G149 PolarHBondContact O-N 3.18Å; G149-V151 VanDerWaalsContact C-N 3.34Å; G149-V151 PolarHBondContact O-N 2.92Å |
| 150 | G | 91.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 23.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R112 A146 A147 L148 | R112-G150 PolarHBondContact NH1-O 3.06Å; R112-G150 PolarHBondContact NH2-O 3.15Å; A146-G150 PolarHBondContact O-N 2.91Å; A147-G150 PolarHBondContact O-N 3.34Å; L148-G150 PolarHBondContact O-N 2.79Å |
| 151 | V | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -72 | 134.8 | 170.6 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | V114 L116 I126 V137 V140 A146 G149 L189 | V114-V151 HydrophobicContact CG1-CG2 4.23Å; L116-V151 HydrophobicContact CD1-CG2 4.12Å; L116-V151 HydrophobicContact CD2-CG2 4.48Å; I126-V151 HydrophobicContact CG2-CG1 4.3Å; V137-V151 HydrophobicContact CG1-CG1 4.16Å; V137-V151 HydrophobicContact CG2-CG1 3.85Å; V140-V151 HydrophobicContact CG2-CG1 4.3Å; A146-V151 HydrophobicContact CB-CB 4.14Å; A146-V151 HydrophobicContact CB-CG2 4.08Å; A146-V151 WeakPolarHBondContact O-CB 3.3Å; A146-V151 WeakPolarHBondContact O-CG2 3.31Å; A146-V151 PolarHBondContact O-N 2.86Å; G149-V151 VanDerWaalsContact C-N 3.34Å; G149-V151 PolarHBondContact O-N 2.92Å; V151-L189 HydrophobicContact CB-CD1 4.5Å; V151-L189 HydrophobicContact CG1-CD1 4.19Å; V151-L189 HydrophobicContact CG2-CD1 4Å | ||
| 152 | R | 94.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | trans | -120 | 160.8 | -178.6 | -64.8 | -59 | -174.2 | -143.9 | 21 | 111.9 | V137 D155 D291 S293 | V137-R152 WeakPolarHBondContact CB-O 3.43Å; V137-R152 WeakPolarHBondContact CG1-O 3.37Å; R152-D155 PolarHBondContact N-OD2 2.86Å; R152-D155 PolarHBondContact O-N 2.92Å; R152-D291 IonicContact CZ-OD2 2.89Å; R152-D291 IonicContact NH1-OD2 2.69Å; R152-D291 PolarHBondContact NH1-OD2 2.96Å; R152-S293 PolarHBondContact NH1-OG 3.4Å; R152-S293 PolarHBondContact NH2-O 3.4Å; R152-S293 VanDerWaalsContact NH2-O 3.17Å; R152-S293 PolarHBondContact NH2-OG 3.17Å; R152-S293 VanDerWaalsContact NH2-OG 3.17Å | ||
| 153 | F | 95 | Very high | 94.3 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 141.4 | 166.8 | 178.4 | -88.8 | 0 | 0 | 0 | 109.1 | S138 D155 I238 V246 I269 Y274 L277 T278 M290 | S138-F153 VanDerWaalsContact O-CD2 3.27Å; S138-F153 WeakPolarHBondContact O-CD2 3.45Å; S138-F153 WeakPolarHBondContact O-CE2 3.28Å; F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 PolarHBondContact O-N 3.2Å; F153-I238 HydrophobicContact CE1-CG2 4.31Å; F153-V246 HydrophobicContact CD1-CG2 4.18Å; F153-V246 HydrophobicContact CD2-CG2 4.48Å; F153-V246 HydrophobicContact CE1-CG2 4.37Å; F153-V246 HydrophobicContact CE2-CG1 4.3Å; F153-V246 HydrophobicContact CG-CG2 4.23Å; F153-I269 HydrophobicContact CE1-CD1 4.45Å; F153-Y274 HydrophobicContact CE1-CD2 4.15Å; F153-Y274 AromaticContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CE2 4.03Å; F153-L277 HydrophobicContact CD1-CD1 4.33Å; F153-L277 HydrophobicContact CE1-CD1 3.56Å; F153-L277 HydrophobicContact CE2-CB 4.19Å; F153-L277 HydrophobicContact CE2-CD1 4.09Å; F153-L277 HydrophobicContact CZ-CB 3.91Å; F153-L277 HydrophobicContact CZ-CD1 3.42Å; F153-L277 VanDerWaalsContact CZ-CD1 3.42Å; F153-L277 HydrophobicContact CZ-CG 4.32Å; F153-T278 HydrophobicContact CE2-CG2 4.21Å; F153-T278 HydrophobicContact CZ-CG2 4.19Å; F153-M290 HydrophobicContact CB-CE 3.83Å |
| 154 | G | 94.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -13.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V137 | V137-G154 PolarHBondContact O-N 3.15Š|
| 155 | D | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 139.2 | 173.7 | -77.5 | -18.8 | 0 | 0 | 0 | 111.6 | R112 F136 V137 R152 F153 R192 | R112-D155 IonicContact NH2-OD2 3.12Å; R112-D155 PolarHBondContact NH2-OD2 2.92Å; F136-D155 CarbonylContact C-O 3.47Å; F136-D155 VanDerWaalsContact CA-O 3.28Å; F136-D155 WeakPolarHBondContact CA-O 3.19Å; V137-D155 HydrophobicContact CB-CB 4.34Å; V137-D155 HydrophobicContact CG2-CB 3.97Å; V137-D155 PolarHBondContact N-O 2.85Å; R152-D155 PolarHBondContact N-OD2 2.86Å; R152-D155 PolarHBondContact O-N 2.92Å; F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 PolarHBondContact O-N 3.2Å; D155-R192 VanDerWaalsContact OD1-CG 3.24Å; D155-R192 WeakPolarHBondContact OD1-CG 3.41Å; D155-R192 PolarHBondContact OD1-N 2.64Å |
| 156 | Q | 96.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 12% | 0.117 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.8 | 175.8 | -174.3 | -176.7 | -1 | 0 | 0 | 110.2 | I135 F136 L158 L189 R190 P193 | I135-Q156 CarbonylContact O-C 3.58Å; I135-Q156 WeakPolarHBondContact O-CA 3.49Å; I135-Q156 WeakPolarHBondContact O-CG 3.44Å; F136-Q156 HydrophobicContact CD1-CB 3.76Å; F136-Q156 HydrophobicContact CD1-CG 4.04Å; F136-Q156 HydrophobicContact CE1-CB 3.54Å; F136-Q156 HydrophobicContact CE1-CG 3.59Å; F136-Q156 HydrophobicContact CZ-CB 4.33Å; F136-Q156 HydrophobicContact CZ-CG 3.86Å; Q156-L158 HydrophobicContact CG-CD2 4.08Å; Q156-L189 CarbonylContact O-C 3.52Å; Q156-L189 VanDerWaalsContact O-CA 3.31Å; Q156-L189 WeakPolarHBondContact O-CA 3.38Å; Q156-R190 HydrophobicContact CB-CB 4.26Å; Q156-R190 PolarHBondContact N-O 3.29Å; Q156-R190 PolarHBondContact O-N 2.72Å; Q156-P193 HydrophobicContact CB-CG 4.01Å |
| 157 | V | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.6 | 171.9 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | L128 I135 V137 I160 V165 L189 | L128-V157 HydrophobicContact CD1-CG2 4.46Å; L128-V157 HydrophobicContact CD2-CG2 3.63Å; I135-V157 HydrophobicContact CB-CB 4.31Å; I135-V157 HydrophobicContact CG2-CB 4.02Å; I135-V157 HydrophobicContact CG2-CG2 4.2Å; I135-V157 PolarHBondContact O-N 2.81Å; V137-V157 HydrophobicContact CG2-CG2 4.2Å; V157-I160 HydrophobicContact CG1-CD1 4.18Å; V157-I160 HydrophobicContact CG1-CG1 3.66Å; V157-V165 HydrophobicContact CB-CG2 4.14Å; V157-V165 HydrophobicContact CG1-CG2 3.84Å; V157-V165 WeakPolarHBondContact O-CG2 3.19Å; V157-L189 HydrophobicContact CB-CD2 4.25Å; V157-L189 HydrophobicContact CG1-CD2 4.35Å; V157-L189 HydrophobicContact CG2-CD2 3.8Å |
| 158 | L | 95.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -48 | 174.9 | -55.5 | -176.8 | 0 | 0 | 0 | 110.6 | V111 Q156 V165 V188 R190 | V111-L158 HydrophobicContact CG1-CD1 3.91Å; V111-L158 HydrophobicContact CG2-CD1 3.98Å; Q156-L158 HydrophobicContact CG-CD2 4.08Å; L158-V165 WeakPolarHBondContact O-CG2 3.45Å; L158-V165 PolarHBondContact O-N 2.92Å; L158-V188 HydrophobicContact CB-CB 4.5Å; L158-V188 HydrophobicContact CB-CG1 4.38Å; L158-V188 HydrophobicContact CD1-CG1 4.42Å; L158-V188 PolarHBondContact N-O 2.89Å; L158-R190 HydrophobicContact CD1-CB 4.26Å; L158-R190 HydrophobicContact CG-CB 4.44Å |
| 159 | E | 95.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.9 | -178.8 | -49.3 | -168.4 | 149.7 | 0 | 0 | 111.9 | K11 I163 L164 L187 V188 | K11-E159 WeakPolarHBondContact CE-OE1 3.34Å; K11-E159 WeakPolarHBondContact CE-OE2 3.49Å; K11-E159 IonicContact NZ-OE1 3.21Å; K11-E159 PolarHBondContact NZ-OE1 3.23Å; K11-E159 IonicContact NZ-OE2 3.64Å; K11-E159 PolarHBondContact NZ-OE2 2.87Å; E159-I163 CarbonylContact C-O 3.54Å; E159-I163 VanDerWaalsContact CA-O 3.23Å; E159-I163 WeakPolarHBondContact CA-O 3.44Å; E159-L164 HydrophobicContact CG-CD1 4.11Å; E159-L187 WeakPolarHBondContact O-CA 3.42Å; E159-V188 HydrophobicContact CB-CB 3.98Å; E159-V188 HydrophobicContact CB-CG2 3.98Å; E159-V188 HydrophobicContact CG-CB 4.28Å; E159-V188 HydrophobicContact CG-CG2 4.4Å; E159-V188 PolarHBondContact N-O 2.8Å; E159-V188 PolarHBondContact O-N 2.79Å |
| 160 | I | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 116 | 171.3 | -53.7 | -177.8 | 0 | 0 | 0 | 107.4 | L128 V157 D162 I163 V165 I176 L177 R186 L187 | L128-I160 HydrophobicContact CD1-CD1 3.96Å; V157-I160 HydrophobicContact CG1-CD1 4.18Å; V157-I160 HydrophobicContact CG1-CG1 3.66Å; I160-D162 VanDerWaalsContact C-N 3.35Å; I160-D162 PolarHBondContact O-N 2.71Å; I160-I163 PolarHBondContact N-O 3.41Å; I160-I163 VanDerWaalsContact O-CB 3.32Å; I160-I163 WeakPolarHBondContact O-CB 3.38Å; I160-I163 PolarHBondContact O-N 3.05Å; I160-V165 HydrophobicContact CB-CG1 4.25Å; I160-V165 HydrophobicContact CD1-CG1 3.85Å; I160-V165 HydrophobicContact CG1-CG1 3.75Å; I160-V165 HydrophobicContact CG1-CG2 4.49Å; I160-I176 HydrophobicContact CB-CG2 4.1Å; I160-I176 HydrophobicContact CG2-CG2 3.81Å; I160-L177 HydrophobicContact CG2-CD1 4.39Å; I160-R186 WeakPolarHBondContact CA-O 3.21Å; I160-L187 HydrophobicContact CB-CD2 4.17Å; I160-L187 HydrophobicContact CD1-CD2 4.47Å; I160-L187 HydrophobicContact CG1-CD2 3.82Å; I160-L187 HydrophobicContact CG2-CD2 3.86Å |
| 161 | N | 94.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 53.8 | -176.7 | -68.9 | -11.7 | 0 | 0 | 0 | 112.8 | I163 S180 I185 R186 | N161-I163 PolarHBondContact O-N 2.92Å; N161-I163 VanDerWaalsContact O-N 3.08Å; N161-S180 WeakPolarHBondContact ND2-CB 3.29Å; N161-S180 PolarHBondContact ND2-OG 2.83Å; N161-I185 WeakPolarHBondContact OD1-CA 3.44Å; N161-R186 PolarHBondContact N-O 2.9Å; N161-R186 PolarHBondContact OD1-N 3.18Å |
| 162 | D | 91.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 4.7 | -177.2 | -52.3 | -62.5 | 0 | 0 | 0 | 115.8 | I160 R186 | I160-D162 VanDerWaalsContact C-N 3.35Å; I160-D162 PolarHBondContact O-N 2.71Å; D162-R186 IonicContact OD1-CZ 3.11Å; D162-R186 IonicContact OD1-NH1 2.97Å; D162-R186 PolarHBondContact OD1-NH1 2.64Å; D162-R186 IonicContact OD1-NH2 2.69Å; D162-R186 PolarHBondContact OD1-NH2 2.8Å; D162-R186 IonicContact OD2-CZ 2.64Å; D162-R186 IonicContact OD2-NH1 2.7Å; D162-R186 PolarHBondContact OD2-NH1 3.18Å; D162-R186 IonicContact OD2-NH2 3.9Å |
| 163 | I | 94.3 | Very high | 94.7 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 44% | 0.441 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.2 | 172.3 | -55.1 | 171.7 | 0 | 0 | 0 | 109.2 | E159 I160 N161 V165 I176 | E159-I163 CarbonylContact C-O 3.54Å; E159-I163 VanDerWaalsContact CA-O 3.23Å; E159-I163 WeakPolarHBondContact CA-O 3.44Å; I160-I163 PolarHBondContact N-O 3.41Å; I160-I163 VanDerWaalsContact O-CB 3.32Å; I160-I163 WeakPolarHBondContact O-CB 3.38Å; I160-I163 PolarHBondContact O-N 3.05Å; N161-I163 PolarHBondContact O-N 2.92Å; N161-I163 VanDerWaalsContact O-N 3.08Å; I163-V165 PolarHBondContact O-N 3.2Å; I163-I176 HydrophobicContact CD1-CG2 4.19Å; I163-I176 HydrophobicContact CG2-CD1 4.41Å |
| 164 | L | 95.3 | Very high | 94.7 | Very high | 92 Ų | 92 | 40.5 Ų | 40.5 | 48% | 0.482 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 123.3 | 171.3 | -172.5 | 77.1 | 0 | 0 | 0 | 110.5 | E159 | E159-L164 HydrophobicContact CG-CD1 4.11Å |
| 165 | V | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -100.2 | 0.5 | -178.6 | -63 | 0 | 0 | 0 | 0 | 114.3 | I135 V157 L158 I160 I163 G167 C168 I176 | I135-V165 HydrophobicContact CB-CG2 4.02Å; I135-V165 HydrophobicContact CG1-CB 4.06Å; I135-V165 HydrophobicContact CG1-CG2 3.89Å; I135-V165 WeakPolarHBondContact CG1-O 3.44Å; V157-V165 HydrophobicContact CB-CG2 4.14Å; V157-V165 HydrophobicContact CG1-CG2 3.84Å; V157-V165 WeakPolarHBondContact O-CG2 3.19Å; L158-V165 WeakPolarHBondContact O-CG2 3.45Å; L158-V165 PolarHBondContact O-N 2.92Å; I160-V165 HydrophobicContact CB-CG1 4.25Å; I160-V165 HydrophobicContact CD1-CG1 3.85Å; I160-V165 HydrophobicContact CG1-CG1 3.75Å; I160-V165 HydrophobicContact CG1-CG2 4.49Å; I163-V165 PolarHBondContact O-N 3.2Å; V165-G167 PolarHBondContact O-N 2.86Å; V165-C168 HydrophobicContact CB-CB 4.44Å; V165-C168 VanDerWaalsContact O-CB 3.25Å; V165-C168 WeakPolarHBondContact O-CB 3.25Å; V165-C168 PolarHBondContact O-N 2.85Å; V165-I176 HydrophobicContact CG1-CD1 4.46Å | ||
| 166 | T | 92.3 | Very high | 94.7 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 125.3 | 171.2 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | C168 | T166-C168 VanDerWaalsContact C-N 3.28Å; T166-C168 PolarHBondContact O-N 3.17Å |
| 167 | G | 93.2 | Very high | 94.6 | Very high | 51 Ų | 51 | 46 Ų | 46 | 53% | 0.526 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -1.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K133 V165 | K133-G167 PolarHBondContact O-N 2.91Å; V165-G167 PolarHBondContact O-N 2.86Å |
| 168 | C | 93.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | trans | -71.6 | 157.3 | 167.9 | -70.5 | 0 | 0 | 0 | 0 | 111 | I135 V165 T166 R172 | I135-C168 WeakPolarHBondContact CD1-O 3.22Å; V165-C168 HydrophobicContact CB-CB 4.44Å; V165-C168 VanDerWaalsContact O-CB 3.25Å; V165-C168 WeakPolarHBondContact O-CB 3.25Å; V165-C168 PolarHBondContact O-N 2.85Å; T166-C168 VanDerWaalsContact C-N 3.28Å; T166-C168 PolarHBondContact O-N 3.17Å; C168-R172 HydrophobicContact CB-CB 4.5Å | ||
| 169 | S | 94.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | trans | -77.6 | 151.8 | 166.3 | 69.8 | 0 | 0 | 0 | 0 | 110.8 | E130 T171 R172 S173 | E130-S169 WeakPolarHBondContact OE2-CA 3.45Å; S169-T171 PolarHBondContact O-N 3Å; S169-R172 PolarHBondContact O-N 3.49Å; S169-R172 WeakPolarHBondContact OG-CB 3.27Å; S169-R172 PolarHBondContact OG-N 3.19Å; S169-S173 PolarHBondContact O-N 3.15Å; S169-S173 PolarHBondContact O-OG 3.25Å | ||
| 170 | G | 92.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.2 | -35.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S173 M174 | G170-S173 PolarHBondContact O-N 2.8Å; G170-M174 VanDerWaalsContact O-CG 3.32Å; G170-M174 WeakPolarHBondContact O-CG 3.39Å; G170-M174 PolarHBondContact O-N 2.93Å |
| 171 | T | 94.5 | Very high | 94 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 58% | 0.583 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 173.8 | -44.6 | 0 | 0 | 0 | 0 | 111.7 | S169 S173 M174 E175 | S169-T171 PolarHBondContact O-N 3Å; T171-S173 PolarHBondContact O-N 3.37Å; T171-M174 CarbonylContact O-C 3.59Å; T171-M174 WeakPolarHBondContact O-CB 3.14Å; T171-M174 PolarHBondContact O-N 2.82Å; T171-M174 VanDerWaalsContact O-N 3.16Å; T171-E175 WeakPolarHBondContact O-CG 3.4Å; T171-E175 PolarHBondContact O-N 3.35Å |
| 172 | R | 95.2 | Very high | 93.8 | Very high | 146 Ų | 146 | 63.2 Ų | 63.2 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 178.5 | -175.7 | -179.9 | 178.5 | 97.5 | -2 | 111.9 | C168 S169 M174 E175 I176 | C168-R172 HydrophobicContact CB-CB 4.5Å; S169-R172 PolarHBondContact O-N 3.49Å; S169-R172 WeakPolarHBondContact OG-CB 3.27Å; S169-R172 PolarHBondContact OG-N 3.19Å; R172-M174 VanDerWaalsContact C-N 3.34Å; R172-M174 PolarHBondContact O-N 3.37Å; R172-E175 WeakPolarHBondContact O-CB 3.44Å; R172-E175 PolarHBondContact O-N 3.02Å; R172-I176 HydrophobicContact CG-CD1 4.29Å; R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 2.85Å |
| 173 | S | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.3 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | I135 S169 G170 T171 L177 | I135-S173 WeakPolarHBondContact CD1-OG 3.3Å; I135-S173 WeakPolarHBondContact CG1-OG 3.2Å; S169-S173 PolarHBondContact O-N 3.15Å; S169-S173 PolarHBondContact O-OG 3.25Å; G170-S173 PolarHBondContact O-N 2.8Å; T171-S173 PolarHBondContact O-N 3.37Å; S173-L177 PolarHBondContact O-N 2.93Å; S173-L177 VanDerWaalsContact O-N 3.13Å |
| 174 | M | 95.2 | Very high | 93.7 | Very high | 39 Ų | 39 | 65 Ų | 65 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.8 | -33.1 | 172.7 | -72.4 | -60.5 | -62 | 0 | 0 | 112.9 | I126 L128 G170 T171 R172 L177 K178 | I126-M174 WeakPolarHBondContact O-CE 3.42Å; L128-M174 HydrophobicContact CB-CG 4.1Å; L128-M174 HydrophobicContact CB-SD 3.75Å; L128-M174 HydrophobicContact CD1-SD 4.18Å; L128-M174 HydrophobicContact CG-SD 3.72Å; L128-M174 PolarHBondContact N-SD 3.46Å; L128-M174 VanDerWaalsContact N-SD 3.36Å; G170-M174 VanDerWaalsContact O-CG 3.32Å; G170-M174 WeakPolarHBondContact O-CG 3.39Å; G170-M174 PolarHBondContact O-N 2.93Å; T171-M174 CarbonylContact O-C 3.59Å; T171-M174 WeakPolarHBondContact O-CB 3.14Å; T171-M174 PolarHBondContact O-N 2.82Å; T171-M174 VanDerWaalsContact O-N 3.16Å; R172-M174 VanDerWaalsContact C-N 3.34Å; R172-M174 PolarHBondContact O-N 3.37Å; M174-L177 HydrophobicContact SD-CD2 4.45Å; M174-K178 WeakPolarHBondContact O-CB 3.09Å; M174-K178 WeakPolarHBondContact O-CD 3.5Å; M174-K178 WeakPolarHBondContact O-CG 3.44Å; M174-K178 PolarHBondContact O-N 3.29Å |
| 175 | E | 95.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -47.3 | 173.7 | -74.4 | 162.7 | -176.3 | 0 | 0 | 111.5 | T171 R172 L177 K178 S179 | T171-E175 WeakPolarHBondContact O-CG 3.4Å; T171-E175 PolarHBondContact O-N 3.35Å; R172-E175 WeakPolarHBondContact O-CB 3.44Å; R172-E175 PolarHBondContact O-N 3.02Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.23Å; E175-K178 CarbonylContact O-C 3.55Å; E175-K178 WeakPolarHBondContact O-CB 3.41Å; E175-K178 PolarHBondContact O-N 2.99Å; E175-K178 VanDerWaalsContact O-N 3.11Å; E175-S179 PolarHBondContact O-N 3.11Å; E175-S179 PolarHBondContact O-OG 3.34Å |
| 176 | I | 94.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 175 | -65.8 | 163.7 | 0 | 0 | 0 | 110.5 | I160 I163 V165 R172 K178 S179 S180 | I160-I176 HydrophobicContact CB-CG2 4.1Å; I160-I176 HydrophobicContact CG2-CG2 3.81Å; I163-I176 HydrophobicContact CD1-CG2 4.19Å; I163-I176 HydrophobicContact CG2-CD1 4.41Å; V165-I176 HydrophobicContact CG1-CD1 4.46Å; R172-I176 HydrophobicContact CG-CD1 4.29Å; R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 2.85Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.75Å; I176-S179 WeakPolarHBondContact CA-OG 3.36Å; I176-S179 PolarHBondContact O-N 3.44Å; I176-S179 PolarHBondContact O-OG 2.99Å; I176-S180 PolarHBondContact O-N 2.82Å; I176-S180 PolarHBondContact O-OG 2.95Å |
| 177 | L | 94 | Very high | 93.9 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 177.8 | -170.3 | 70.6 | 0 | 0 | 0 | 112.4 | V124 I126 I160 S173 M174 E175 I185 L187 | V124-L177 HydrophobicContact CB-CD2 4.46Å; V124-L177 HydrophobicContact CG2-CD1 4.31Å; V124-L177 HydrophobicContact CG2-CG 4.39Å; I126-L177 HydrophobicContact CD1-CD2 3.74Å; I126-L177 HydrophobicContact CG1-CD2 3.63Å; I160-L177 HydrophobicContact CG2-CD1 4.39Å; S173-L177 PolarHBondContact O-N 2.93Å; S173-L177 VanDerWaalsContact O-N 3.13Å; M174-L177 HydrophobicContact SD-CD2 4.45Å; E175-L177 VanDerWaalsContact C-N 3.31Å; E175-L177 PolarHBondContact O-N 3.23Å; L177-I185 HydrophobicContact CD1-CG2 3.75Å; L177-L187 HydrophobicContact CD1-CD2 4.2Å |
| 178 | K | 93.6 | Very high | 94 | Very high | 147 Ų | 147 | 58.7 Ų | 58.7 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.4 | -40.2 | 175 | -74.8 | 168.4 | -177 | 179.5 | 0 | 112.2 | K118 M174 E175 I176 S180 | K118-K178 PolarHBondContact NZ-O 3.5Å; M174-K178 WeakPolarHBondContact O-CB 3.09Å; M174-K178 WeakPolarHBondContact O-CD 3.5Å; M174-K178 WeakPolarHBondContact O-CG 3.44Å; M174-K178 PolarHBondContact O-N 3.29Å; E175-K178 CarbonylContact O-C 3.55Å; E175-K178 WeakPolarHBondContact O-CB 3.41Å; E175-K178 PolarHBondContact O-N 2.99Å; E175-K178 VanDerWaalsContact O-N 3.11Å; I176-K178 VanDerWaalsContact C-N 3.33Å; I176-K178 PolarHBondContact O-N 2.75Å; K178-S180 VanDerWaalsContact C-N 3.31Å; K178-S180 PolarHBondContact O-N 3.28Å |
| 179 | S | 93.5 | Very high | 94.1 | Very high | 99 Ų | 99 | 57.8 Ų | 57.8 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -76 | -15.9 | 179.6 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | E175 I176 | E175-S179 PolarHBondContact O-N 3.11Å; E175-S179 PolarHBondContact O-OG 3.34Å; I176-S179 WeakPolarHBondContact CA-OG 3.36Å; I176-S179 PolarHBondContact O-N 3.44Å; I176-S179 PolarHBondContact O-OG 2.99Å |
| 180 | S | 92.5 | Very high | 94.1 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -59.1 | 157.4 | 178 | -65.6 | 0 | 0 | 0 | 0 | 113.2 | K118 N161 I176 K178 | K118-S180 WeakPolarHBondContact CE-O 3.29Å; K118-S180 PolarHBondContact NZ-O 3.18Å; N161-S180 WeakPolarHBondContact ND2-CB 3.29Å; N161-S180 PolarHBondContact ND2-OG 2.83Å; I176-S180 PolarHBondContact O-N 2.82Å; I176-S180 PolarHBondContact O-OG 2.95Å; K178-S180 VanDerWaalsContact C-N 3.31Å; K178-S180 PolarHBondContact O-N 3.28Å |
| 181 | T | 92.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 61 Ų | 61 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | trans | -54.6 | 153 | 172.7 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | N183 I185 | T181-N183 VanDerWaalsContact C-N 3.25Å; T181-N183 WeakPolarHBondContact CB-O 3.34Å; T181-N183 PolarHBondContact O-N 3.15Å; T181-N183 PolarHBondContact OG1-O 2.79Å; T181-I185 WeakPolarHBondContact O-CD1 3.38Å; T181-I185 VanDerWaalsContact O-CG1 3.31Å; T181-I185 WeakPolarHBondContact O-CG1 3.09Å | ||
| 182 | P | 90.6 | Very high | 93.9 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -60.5 | -33.5 | 175 | -25.4 | 35.6 | 0 | 0 | 0 | 113.9 | C117 K118 | C117-P182 CarbonylContact C-O 3.59Å; C117-P182 WeakPolarHBondContact CA-O 3.21Å; K118-P182 PolarHBondContact N-O 2.71Å |
| 183 | N | 91.4 | Very high | 93.8 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -115.2 | 159.5 | -179.9 | -63.2 | -26.8 | 0 | 0 | 0 | 110.9 | T181 I185 | T181-N183 VanDerWaalsContact C-N 3.25Å; T181-N183 WeakPolarHBondContact CB-O 3.34Å; T181-N183 PolarHBondContact O-N 3.15Å; T181-N183 PolarHBondContact OG1-O 2.79Å; N183-I185 PolarHBondContact O-N 2.96Å |
| 184 | N | 92.7 | Very high | 93.7 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | trans | 60 | 38.6 | 174.4 | -57.8 | -42.8 | 0 | 0 | 0 | 115.2 | T115 L116 R186 | T115-N184 HydrophobicContact CG2-CB 4.41Å; L116-N184 PolarHBondContact O-N 3.27Å; N184-R186 PolarHBondContact O-N 2.89Å | ||
| 185 | I | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 108.7 | 171.6 | -57.1 | 177.3 | 0 | 0 | 0 | 108.3 | T115 L116 K118 V124 N161 L177 T181 N183 L187 | T115-I185 CarbonylContact C-O 3.53Å; T115-I185 WeakPolarHBondContact CA-O 3.32Å; L116-I185 HydrophobicContact CB-CB 4.34Å; L116-I185 PolarHBondContact N-O 3.01Å; L116-I185 PolarHBondContact O-N 2.92Å; K118-I185 HydrophobicContact CD-CD1 4.41Å; K118-I185 HydrophobicContact CG-CD1 3.83Å; V124-I185 HydrophobicContact CG2-CD1 3.59Å; N161-I185 WeakPolarHBondContact OD1-CA 3.44Å; L177-I185 HydrophobicContact CD1-CG2 3.75Å; T181-I185 WeakPolarHBondContact O-CD1 3.38Å; T181-I185 VanDerWaalsContact O-CG1 3.31Å; T181-I185 WeakPolarHBondContact O-CG1 3.09Å; N183-I185 PolarHBondContact O-N 2.96Å; I185-L187 HydrophobicContact CG2-CD2 4.21Å |
| 186 | R | 95.3 | Very high | 93.5 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.7 | 179.9 | -77.6 | 175.1 | 56.3 | -130.8 | -15.8 | 110.2 | L113 I160 N161 D162 N184 | L113-R186 HydrophobicContact CD1-CB 3.9Å; L113-R186 HydrophobicContact CD1-CG 4.09Å; I160-R186 WeakPolarHBondContact CA-O 3.21Å; N161-R186 PolarHBondContact N-O 2.9Å; N161-R186 PolarHBondContact OD1-N 3.18Å; D162-R186 IonicContact OD1-CZ 3.11Å; D162-R186 IonicContact OD1-NH1 2.97Å; D162-R186 PolarHBondContact OD1-NH1 2.64Å; D162-R186 IonicContact OD1-NH2 2.69Å; D162-R186 PolarHBondContact OD1-NH2 2.8Å; D162-R186 IonicContact OD2-CZ 2.64Å; D162-R186 IonicContact OD2-NH1 2.7Å; D162-R186 PolarHBondContact OD2-NH1 3.18Å; D162-R186 IonicContact OD2-NH2 3.9Å; N184-R186 PolarHBondContact O-N 2.89Å |
| 187 | L | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.6 | 171 | -58.9 | -173 | 0 | 0 | 0 | 109.4 | V114 L116 I126 E159 I160 L177 I185 L189 | V114-L187 PolarHBondContact N-O 3.31Å; V114-L187 PolarHBondContact O-N 2.97Å; L116-L187 HydrophobicContact CD1-CD1 3.54Å; L116-L187 HydrophobicContact CD1-CG 4.2Å; I126-L187 HydrophobicContact CD1-CD1 4.01Å; E159-L187 WeakPolarHBondContact O-CA 3.42Å; I160-L187 HydrophobicContact CB-CD2 4.17Å; I160-L187 HydrophobicContact CD1-CD2 4.47Å; I160-L187 HydrophobicContact CG1-CD2 3.82Å; I160-L187 HydrophobicContact CG2-CD2 3.86Å; L177-L187 HydrophobicContact CD1-CD2 4.2Å; I185-L187 HydrophobicContact CG2-CD2 4.21Å; L187-L189 HydrophobicContact CB-CD2 4.02Å; L187-L189 HydrophobicContact CB-CG 4.2Å; L187-L189 HydrophobicContact CD1-CD2 4.49Å |
| 188 | V | 95.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.8 | 167.4 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | L7 L10 V111 L113 L158 E159 | L7-V188 HydrophobicContact CD1-CG1 3.69Å; L10-V188 HydrophobicContact CD2-CG1 4.21Å; V111-V188 HydrophobicContact CG1-CG1 3.37Å; L113-V188 HydrophobicContact CD1-CG2 4.1Å; L158-V188 HydrophobicContact CB-CB 4.5Å; L158-V188 HydrophobicContact CB-CG1 4.38Å; L158-V188 HydrophobicContact CD1-CG1 4.42Å; L158-V188 PolarHBondContact N-O 2.89Å; E159-V188 HydrophobicContact CB-CB 3.98Å; E159-V188 HydrophobicContact CB-CG2 3.98Å; E159-V188 HydrophobicContact CG-CB 4.28Å; E159-V188 HydrophobicContact CG-CG2 4.4Å; E159-V188 PolarHBondContact N-O 2.8Å; E159-V188 PolarHBondContact O-N 2.79Å |
| 189 | L | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.2 | -175.5 | -57.5 | -177.5 | 0 | 0 | 0 | 110.4 | V111 R112 V114 V151 Q156 V157 L187 | V111-L189 CarbonylContact C-O 3.57Å; V111-L189 VanDerWaalsContact CA-O 3.25Å; V111-L189 WeakPolarHBondContact CA-O 3.2Å; R112-L189 HydrophobicContact CG-CB 4.48Å; R112-L189 PolarHBondContact N-O 2.87Å; R112-L189 PolarHBondContact O-N 3.48Å; V114-L189 HydrophobicContact CB-CD1 4.39Å; V114-L189 HydrophobicContact CG2-CD1 3.85Å; V114-L189 HydrophobicContact CG2-CG 4.44Å; V151-L189 HydrophobicContact CB-CD1 4.5Å; V151-L189 HydrophobicContact CG1-CD1 4.19Å; V151-L189 HydrophobicContact CG2-CD1 4Å; Q156-L189 CarbonylContact O-C 3.52Å; Q156-L189 VanDerWaalsContact O-CA 3.31Å; Q156-L189 WeakPolarHBondContact O-CA 3.38Å; V157-L189 HydrophobicContact CB-CD2 4.25Å; V157-L189 HydrophobicContact CG1-CD2 4.35Å; V157-L189 HydrophobicContact CG2-CD2 3.8Å; L187-L189 HydrophobicContact CB-CD2 4.02Å; L187-L189 HydrophobicContact CB-CG 4.2Å; L187-L189 HydrophobicContact CD1-CD2 4.49Å |
| 190 | R | 94.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 49.1 Ų | 49.1 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125 | 158.7 | 172 | -176.6 | -67.2 | 170.4 | -3.7 | 108 | G110 V111 Q156 L158 R192 P193 | G110-R190 WeakPolarHBondContact O-CA 3.43Å; V111-R190 HydrophobicContact CG2-CB 4.36Å; Q156-R190 HydrophobicContact CB-CB 4.26Å; Q156-R190 PolarHBondContact N-O 3.29Å; Q156-R190 PolarHBondContact O-N 2.72Å; L158-R190 HydrophobicContact CD1-CB 4.26Å; L158-R190 HydrophobicContact CG-CB 4.44Å; R190-R192 PolarHBondContact O-N 3.21Å; R190-P193 HydrophobicContact CG-CB 4.35Å |
| 191 | D | 92 | Very high | 93.9 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | trans | -70.5 | 120.7 | -173.7 | -69.2 | -25.7 | 0 | 0 | 0 | 111.4 | G110 R112 P193 | G110-D191 PolarHBondContact O-N 3.36Å; G110-D191 VanDerWaalsContact O-N 3.15Å; R112-D191 IonicContact CZ-OD1 2.72Å; R112-D191 IonicContact CZ-OD2 3.93Å; R112-D191 VanDerWaalsContact NE-CG 3.29Å; R112-D191 IonicContact NE-OD1 3.02Å; R112-D191 PolarHBondContact NE-OD1 2.98Å; R112-D191 IonicContact NE-OD2 2.65Å; R112-D191 PolarHBondContact NE-OD2 2.8Å; R112-D191 VanDerWaalsContact NE-OD2 3.12Å; R112-D191 IonicContact NH2-OD1 2.71Å; R112-D191 PolarHBondContact NH2-OD1 2.84Å; D191-P193 VanDerWaalsContact O-N 3.09Å | ||
| 192 | R | 91.5 | Very high | 94 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | trans | 39.3 | 53.8 | 160.8 | -59.2 | -176.1 | -75.2 | 164 | -3.3 | 115.9 | I107 D155 R190 F194 E195 E239 | I107-R192 HydrophobicContact CD1-CB 3.98Å; I107-R192 HydrophobicContact CG1-CB 4.42Å; I107-R192 VanDerWaalsContact CG1-CZ 3.49Å; I107-R192 HydrophobicContact CG2-CB 4.02Å; D155-R192 VanDerWaalsContact OD1-CG 3.24Å; D155-R192 WeakPolarHBondContact OD1-CG 3.41Å; D155-R192 PolarHBondContact OD1-N 2.64Å; R190-R192 PolarHBondContact O-N 3.21Å; R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 2.75Å; R192-E195 HydrophobicContact CB-CB 4.09Å; R192-E195 HydrophobicContact CB-CG 4.02Å; R192-E195 VanDerWaalsContact CD-OE2 3.29Å; R192-E195 WeakPolarHBondContact CD-OE2 3.39Å; R192-E195 PolarHBondContact O-N 2.66Å; R192-E195 VanDerWaalsContact O-N 3.15Å; R192-E239 IonicContact CZ-OE2 3.36Å; R192-E239 IonicContact NH1-OE1 3.21Å; R192-E239 PolarHBondContact NH1-OE1 2.96Å; R192-E239 VanDerWaalsContact NH1-OE1 3.11Å; R192-E239 IonicContact NH1-OE2 3.92Å; R192-E239 PolarHBondContact NH1-OE2 3.09Å | ||
| 193 | P | 92.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9 | -165.3 | 28.2 | -37.4 | 0 | 0 | 0 | 116.3 | F136 Q156 R190 D191 | F136-P193 HydrophobicContact CE1-CG 4Å; Q156-P193 HydrophobicContact CB-CG 4.01Å; R190-P193 HydrophobicContact CG-CB 4.35Å; D191-P193 VanDerWaalsContact O-N 3.09Å |
| 194 | F | 93.7 | Very high | 94.1 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 37% | 0.373 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 7.6 | 178.4 | -65.7 | -71.8 | 0 | 0 | 0 | 113.4 | F136 R192 I269 P270 F273 | F136-F194 HydrophobicContact CE1-CD2 4.05Å; F136-F194 AromaticContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CE1-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CD2 4.47Å; F136-F194 AromaticContact CZ-CE2 3.67Å; F136-F194 HydrophobicContact CZ-CE2 3.67Å; R192-F194 VanDerWaalsContact C-N 3.25Å; R192-F194 PolarHBondContact O-N 2.75Å; F194-I269 HydrophobicContact CB-CG1 4.44Å; F194-P270 WeakPolarHBondContact O-CD 3.49Å; F194-F273 HydrophobicContact CB-CD1 4.13Å; F194-F273 HydrophobicContact CB-CE1 4.16Å; F194-F273 HydrophobicContact CB-CG 4.43Å; F194-F273 HydrophobicContact CD2-CD1 4.34Å; F194-F273 AromaticContact CD2-CD2 3.99Å; F194-F273 HydrophobicContact CD2-CD2 3.99Å; F194-F273 AromaticContact CD2-CE1 3.81Å; F194-F273 HydrophobicContact CD2-CE1 3.81Å; F194-F273 AromaticContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CE2 3.45Å; F194-F273 VanDerWaalsContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CG 4.41Å; F194-F273 AromaticContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CE2-CD2 4.28Å; F194-F273 AromaticContact CE2-CE2 3.6Å; F194-F273 HydrophobicContact CE2-CE2 3.6Å; F194-F273 AromaticContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CG-CD1 4.46Å; F194-F273 HydrophobicContact CG-CD2 4.32Å; F194-F273 HydrophobicContact CG-CE1 4.32Å; F194-F273 HydrophobicContact CG-CE2 4.22Å; F194-F273 HydrophobicContact CG-CG 4.45Å; F194-F273 HydrophobicContact CG-CZ 4.22Å; F194-F273 HydrophobicContact CZ-CE2 4.47Å |
| 195 | E | 93.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | trans | -101.1 | 157.2 | -174.5 | -62.6 | -176.1 | -158.4 | 0 | 0 | 111.6 | I107 R192 I238 T267 I268 I269 | I107-E195 HydrophobicContact CD1-CB 3.52Å; R192-E195 HydrophobicContact CB-CB 4.09Å; R192-E195 HydrophobicContact CB-CG 4.02Å; R192-E195 VanDerWaalsContact CD-OE2 3.29Å; R192-E195 WeakPolarHBondContact CD-OE2 3.39Å; R192-E195 PolarHBondContact O-N 2.66Å; R192-E195 VanDerWaalsContact O-N 3.15Å; E195-I238 HydrophobicContact CB-CD1 4.49Å; E195-I238 HydrophobicContact CG-CD1 3.65Å; E195-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E195-I238 WeakPolarHBondContact OE2-CD1 3.19Å; E195-T267 HydrophobicContact CB-CG2 4.12Å; E195-T267 VanDerWaalsContact OE2-CG2 3.29Å; E195-T267 WeakPolarHBondContact OE2-CG2 3.5Å; E195-I268 WeakPolarHBondContact CA-O 3.28Å; E195-I269 HydrophobicContact CG-CB 4.19Å; E195-I269 HydrophobicContact CG-CD1 3.64Å; E195-I269 HydrophobicContact CG-CG1 3.92Å | ||
| 196 | R | 93.3 | Very high | 93.9 | Very high | 146 Ų | 146 | 55.2 Ų | 55.2 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 122.8 | 177.7 | -173.8 | 179.6 | 179 | 119.3 | -0.7 | 109.4 | I198 I268 | R196-I198 HydrophobicContact CG-CD1 4.36Å; R196-I198 HydrophobicContact CG-CG1 3.98Å; R196-I268 HydrophobicContact CB-CG1 4.13Å; R196-I268 PolarHBondContact N-O 3.42Å; R196-I268 WeakPolarHBondContact O-CG1 3.32Å; R196-I268 PolarHBondContact O-N 3.42Å |
| 197 | V | 94.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.6 | 168.1 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | I105 I107 K265 T267 | I105-V197 HydrophobicContact CG2-CG1 4.4Å; I107-V197 HydrophobicContact CB-CG2 4.05Å; I107-V197 HydrophobicContact CD1-CG2 3.66Å; I107-V197 HydrophobicContact CG1-CG2 3.55Å; V197-K265 HydrophobicContact CG1-CB 3.94Å; V197-K265 HydrophobicContact CG1-CD 4.27Å; V197-K265 HydrophobicContact CG1-CG 4.32Å; V197-T267 HydrophobicContact CG2-CG2 4.48Å |
| 198 | I | 94.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119.5 | 174.6 | -55.7 | -179.7 | 0 | 0 | 0 | 108.3 | R196 V200 N229 I231 V266 I268 | R196-I198 HydrophobicContact CG-CD1 4.36Å; R196-I198 HydrophobicContact CG-CG1 3.98Å; I198-V200 HydrophobicContact CG2-CG1 4.2Å; I198-N229 HydrophobicContact CG2-CB 3.69Å; I198-N229 WeakPolarHBondContact CG2-O 3.34Å; I198-I231 HydrophobicContact CB-CG1 4.29Å; I198-I231 HydrophobicContact CD1-CB 4.43Å; I198-I231 HydrophobicContact CD1-CG1 3.94Å; I198-I231 HydrophobicContact CG2-CG1 3.83Å; I198-V266 PolarHBondContact N-O 2.86Å; I198-V266 PolarHBondContact O-N 2.88Å; I198-I268 HydrophobicContact CD1-CD1 3.65Å; I198-I268 HydrophobicContact CD1-CG1 4.25Å |
| 199 | T | 95.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 54 Ų | 54 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.3 | 173.7 | -51.8 | 0 | 0 | 0 | 0 | 109.5 | N229 P263 M264 | T199-N229 WeakPolarHBondContact O-CB 3.48Å; T199-N229 PolarHBondContact O-ND2 3.2Å; T199-N229 PolarHBondContact O-OD1 2.96Å; T199-P263 HydrophobicContact CG2-CB 3.65Å; T199-M264 CarbonylContact C-O 3.59Å; T199-M264 WeakPolarHBondContact CA-O 3.35Å |
| 200 | V | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 159.1 | 177.6 | -70.6 | 0 | 0 | 0 | 0 | 111.1 | I198 I208 N229 I231 M264 V266 | I198-V200 HydrophobicContact CG2-CG1 4.2Å; V200-I208 HydrophobicContact CB-CB 4.46Å; V200-I208 HydrophobicContact CB-CG2 4.39Å; V200-I208 HydrophobicContact CG2-CB 4.17Å; V200-I208 HydrophobicContact CG2-CD1 3.87Å; V200-I208 HydrophobicContact CG2-CG2 3.87Å; V200-N229 HydrophobicContact CG1-CB 4.15Å; V200-I231 HydrophobicContact CG1-CD1 3.72Å; V200-I231 HydrophobicContact CG1-CG1 4.22Å; V200-M264 HydrophobicContact CG2-CB 4.17Å; V200-M264 HydrophobicContact CG2-CG 4.43Å; V200-M264 WeakPolarHBondContact CG2-O 3.39Å; V200-M264 HydrophobicContact CG2-SD 4.01Å; V200-M264 PolarHBondContact N-O 3.15Å; V200-M264 PolarHBondContact O-N 3.37Å; V200-V266 HydrophobicContact CG2-CG2 3.85Å |
| 201 | H | 95.7 | Very high | 93.7 | Very high | 94 Ų | 94 | 55.8 Ų | 55.8 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | trans | -120.5 | 140.4 | 178.4 | -65.9 | -109.8 | 0 | 0 | 0 | 109 | S225 | H201-S225 PolarHBondContact N-OG 3.49Å; H201-S225 WeakPolarHBondContact O-CB 3.24Å; H201-S225 PolarHBondContact O-OG 3.17Å | ||
| 202 | K | 94.3 | Very high | 93.9 | Very high | 47 Ų | 47 | 55.3 Ų | 55.3 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | trans | -69.2 | 147.7 | 170.7 | -66.3 | 177 | 165.5 | 172.7 | 0 | 110 | G206 A207 I208 M257 D258 S260 T262 | K202-G206 WeakPolarHBondContact CD-O 3.46Å; K202-G206 WeakPolarHBondContact CE-O 3.44Å; K202-G206 WeakPolarHBondContact CG-O 3.41Å; K202-A207 CarbonylContact C-O 3.58Å; K202-A207 WeakPolarHBondContact CA-O 3.41Å; K202-I208 HydrophobicContact CG-CG2 4.02Å; K202-M257 WeakPolarHBondContact CE-O 3.5Å; K202-M257 PolarHBondContact NZ-O 3.38Å; K202-D258 VanDerWaalsContact NZ-C 3.27Å; K202-D258 PolarHBondContact NZ-O 2.85Å; K202-S260 PolarHBondContact NZ-O 3.36Å; K202-T262 HydrophobicContact CB-CG2 3.62Å; K202-T262 HydrophobicContact CD-CG2 3.98Å; K202-T262 HydrophobicContact CG-CG2 3.62Å; K202-T262 VanDerWaalsContact N-CG2 3.27Å | ||
| 203 | D | 93.6 | Very high | 94.1 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | trans | -80.2 | -175 | 166.5 | 62.4 | 23 | 0 | 0 | 0 | 111.5 | L205 G206 A207 | D203-L205 PolarHBondContact O-N 3.16Å; D203-L205 WeakPolarHBondContact OD1-CA 3.38Å; D203-L205 WeakPolarHBondContact OD1-CB 3.35Å; D203-L205 PolarHBondContact OD1-N 3.03Å; D203-G206 PolarHBondContact O-N 3.13Å; D203-G206 PolarHBondContact OD1-N 3.17Å; D203-G206 VanDerWaalsContact OD1-N 3.1Å; D203-A207 PolarHBondContact N-O 3.43Å; D203-A207 PolarHBondContact OD1-N 3.49Å | ||
| 204 | S | 91.7 | Very high | 94.2 | Very high | 128 Ų | 128 | 66.6 Ų | 66.6 | 90% | 0.895 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.3 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 205 | L | 91.2 | Very high | 94.2 | Very high | 154 Ų | 154 | 62.8 Ų | 62.8 | 81% | 0.806 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 1 | 174 | -55.7 | 177.2 | 0 | 0 | 0 | 112 | D203 A207 | D203-L205 PolarHBondContact O-N 3.16Å; D203-L205 WeakPolarHBondContact OD1-CA 3.38Å; D203-L205 WeakPolarHBondContact OD1-CB 3.35Å; D203-L205 PolarHBondContact OD1-N 3.03Å; L205-A207 VanDerWaalsContact C-N 3.31Å |
| 206 | G | 91 | Very high | 94.4 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 82.4 | 1.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K202 D203 | K202-G206 WeakPolarHBondContact CD-O 3.46Å; K202-G206 WeakPolarHBondContact CE-O 3.44Å; K202-G206 WeakPolarHBondContact CG-O 3.41Å; D203-G206 PolarHBondContact O-N 3.13Å; D203-G206 PolarHBondContact OD1-N 3.17Å; D203-G206 VanDerWaalsContact OD1-N 3.1Å |
| 207 | A | 92.5 | Very high | 94.6 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | trans | -94.9 | 148.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K202 D203 L205 | K202-A207 CarbonylContact C-O 3.58Å; K202-A207 WeakPolarHBondContact CA-O 3.41Å; D203-A207 PolarHBondContact N-O 3.43Å; D203-A207 PolarHBondContact OD1-N 3.49Å; L205-A207 VanDerWaalsContact C-N 3.31Å | ||
| 208 | I | 94.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | trans | -94.3 | -11.6 | 170.7 | 67.2 | 162 | 0 | 0 | 0 | 113.1 | V200 K202 I210 S224 A226 I231 M257 M264 V266 | V200-I208 HydrophobicContact CB-CB 4.46Å; V200-I208 HydrophobicContact CB-CG2 4.39Å; V200-I208 HydrophobicContact CG2-CB 4.17Å; V200-I208 HydrophobicContact CG2-CD1 3.87Å; V200-I208 HydrophobicContact CG2-CG2 3.87Å; K202-I208 HydrophobicContact CG-CG2 4.02Å; I208-I210 HydrophobicContact CD1-CD1 3.92Å; I208-I210 HydrophobicContact CD1-CG1 3.97Å; I208-I210 HydrophobicContact CD1-CG2 4.26Å; I208-I210 HydrophobicContact CG1-CG1 4.02Å; I208-I210 HydrophobicContact CG1-CG2 4.44Å; I208-S224 WeakPolarHBondContact O-CB 3.38Å; I208-A226 VanDerWaalsContact O-CB 3.24Å; I208-A226 WeakPolarHBondContact O-CB 3.44Å; I208-A226 PolarHBondContact O-N 2.83Å; I208-I231 HydrophobicContact CD1-CD1 4.41Å; I208-M257 HydrophobicContact CD1-CE 3.41Å; I208-M257 VanDerWaalsContact CD1-CE 3.41Å; I208-M257 HydrophobicContact CG1-CE 3.84Å; I208-M264 HydrophobicContact CD1-SD 4.25Å; I208-M264 HydrophobicContact CG2-CE 3.97Å; I208-M264 HydrophobicContact CG2-SD 4.13Å; I208-V266 HydrophobicContact CD1-CG2 4.41Å | ||
| 209 | G | 95 | Very high | 94.8 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 83.2 | 43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | V221 | G209-V221 PolarHBondContact O-N 2.9Š|
| 210 | I | 96.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153 | 169.6 | 65.5 | 170.5 | 0 | 0 | 0 | 111.8 | I208 V212 I217 A226 I231 I237 M257 | I208-I210 HydrophobicContact CD1-CD1 3.92Å; I208-I210 HydrophobicContact CD1-CG1 3.97Å; I208-I210 HydrophobicContact CD1-CG2 4.26Å; I208-I210 HydrophobicContact CG1-CG1 4.02Å; I208-I210 HydrophobicContact CG1-CG2 4.44Å; I210-V212 HydrophobicContact CD1-CG2 3.52Å; I210-V212 HydrophobicContact CG1-CG2 3.93Å; I210-I217 HydrophobicContact CD1-CG1 4.38Å; I210-A226 HydrophobicContact CG2-CB 3.37Å; I210-I231 HydrophobicContact CG2-CD1 4.2Å; I210-I231 HydrophobicContact CG2-CG2 4.17Å; I210-I237 HydrophobicContact CD1-CD1 3.62Å; I210-M257 HydrophobicContact CD1-CE 3.97Å; I210-M257 HydrophobicContact CG1-CE 4.37Å |
| 211 | Q | 95.6 | Very high | 94.9 | Very high | 111 Ų | 111 | 63.4 Ų | 63.4 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.8 | 166.6 | -62.7 | -175.9 | 4.7 | 0 | 0 | 109.5 | K218 A219 | Q211-K218 PolarHBondContact O-N 3.48Å; Q211-A219 HydrophobicContact CB-CB 4.13Å; Q211-A219 HydrophobicContact CG-CB 4.28Å; Q211-A219 PolarHBondContact N-O 2.94Å |
| 212 | V | 96.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 67.6 Ų | 67.6 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.2 | -177.2 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | I210 L216 I237 L253 | I210-V212 HydrophobicContact CD1-CG2 3.52Å; I210-V212 HydrophobicContact CG1-CG2 3.93Å; V212-L216 CarbonylContact C-O 3.59Å; V212-L216 WeakPolarHBondContact CA-O 3.28Å; V212-I237 HydrophobicContact CG2-CD1 3.81Å; V212-L253 HydrophobicContact CG1-CD2 3.98Å |
| 213 | R | 95.6 | Very high | 95 | Very high | 169 Ų | 169 | 72.1 Ų | 72.1 | 64% | 0.638 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 120.2 | 166.4 | -65.4 | -169.2 | -175.3 | -174.9 | 1.3 | 110.6 | G215 L216 K218 D250 | R213-G215 VanDerWaalsContact C-N 3.28Å; R213-G215 PolarHBondContact O-N 2.81Å; R213-L216 PolarHBondContact N-O 3.49Å; R213-L216 VanDerWaalsContact O-CB 3.27Å; R213-L216 WeakPolarHBondContact O-CB 3.24Å; R213-L216 PolarHBondContact O-N 2.97Å; R213-K218 HydrophobicContact CB-CG 3.94Å; R213-K218 HydrophobicContact CG-CG 3.96Å; R213-D250 WeakPolarHBondContact CA-OD2 3.23Å |
| 214 | N | 93.9 | Very high | 95.1 | Very high | 135 Ų | 135 | 69 Ų | 69 | 72% | 0.722 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 44.4 | -170 | -58.6 | -29.1 | 0 | 0 | 0 | 112.7 | L216 Q236 D250 | N214-L216 PolarHBondContact O-N 3.23Å; N214-Q236 PolarHBondContact O-NE2 2.85Å; N214-D250 WeakPolarHBondContact CA-OD1 3.43Å; N214-D250 PolarHBondContact N-OD1 2.74Å; N214-D250 PolarHBondContact N-OD2 2.82Å |
| 215 | G | 94.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R213 Q236 I237 D250 | R213-G215 VanDerWaalsContact C-N 3.28Å; R213-G215 PolarHBondContact O-N 2.81Å; G215-Q236 VanDerWaalsContact C-CD 3.49Å; G215-Q236 VanDerWaalsContact C-NE2 3.28Å; G215-Q236 VanDerWaalsContact CA-NE2 3.33Å; G215-I237 PolarHBondContact O-N 2.95Å; G215-D250 PolarHBondContact N-OD1 3.27Å |
| 216 | L | 97.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.7 | 177.7 | -176.7 | 72.3 | 0 | 0 | 0 | 111.1 | V212 R213 N214 K218 K271 | V212-L216 CarbonylContact C-O 3.59Å; V212-L216 WeakPolarHBondContact CA-O 3.28Å; R213-L216 PolarHBondContact N-O 3.49Å; R213-L216 VanDerWaalsContact O-CB 3.27Å; R213-L216 WeakPolarHBondContact O-CB 3.24Å; R213-L216 PolarHBondContact O-N 2.97Å; N214-L216 PolarHBondContact O-N 3.23Å; L216-K218 HydrophobicContact CD2-CD 4.11Å; L216-K218 PolarHBondContact O-N 3.36Å; L216-K271 HydrophobicContact CD1-CB 3.76Å; L216-K271 HydrophobicContact CD1-CD 3.83Å; L216-K271 HydrophobicContact CD1-CG 3.76Å; L216-K271 HydrophobicContact CD2-CD 3.83Å |
| 217 | I | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 111.8 | 174.9 | -58.2 | 160.2 | 0 | 0 | 0 | 109.1 | I210 I220 I231 T233 N234 H235 I237 I268 | I210-I217 HydrophobicContact CD1-CG1 4.38Å; I217-I220 HydrophobicContact CG2-CG1 4.21Å; I217-I231 HydrophobicContact CD1-CG2 3.72Å; I217-I231 HydrophobicContact CG2-CG2 4.31Å; I217-T233 HydrophobicContact CG2-CG2 4.44Å; I217-N234 PolarHBondContact O-N 3.47Å; I217-H235 HydrophobicContact CD1-CB 4.43Å; I217-H235 PolarHBondContact N-O 3.45Å; I217-I237 HydrophobicContact CD1-CD1 4.41Å; I217-I237 HydrophobicContact CD1-CG1 3.9Å; I217-I237 HydrophobicContact CG1-CD1 4.06Å; I217-I237 HydrophobicContact CG1-CG1 3.87Å; I217-I268 HydrophobicContact CD1-CG2 3.86Å |
| 218 | K | 96.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 62.9 Ų | 62.9 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -41.5 | -177.7 | -74.5 | -59.6 | -164.3 | -178.7 | 0 | 113.4 | Q211 R213 L216 | Q211-K218 PolarHBondContact O-N 3.48Å; R213-K218 HydrophobicContact CB-CG 3.94Å; R213-K218 HydrophobicContact CG-CG 3.96Å; L216-K218 HydrophobicContact CD2-CD 4.11Å; L216-K218 PolarHBondContact O-N 3.36Å |
| 219 | A | 96.9 | Very high | 96 | Very high | 33 Ų | 33 | 65.8 Ų | 65.8 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q211 | Q211-A219 HydrophobicContact CB-CB 4.13Å; Q211-A219 HydrophobicContact CG-CB 4.28Å; Q211-A219 PolarHBondContact N-O 2.94Å |
| 220 | I | 96.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.9 | 179.4 | -58.9 | 168.9 | 0 | 0 | 0 | 106.9 | I217 A226 A227 I231 T233 | I217-I220 HydrophobicContact CG2-CG1 4.21Å; I220-A226 HydrophobicContact CG2-CB 4Å; I220-A227 HydrophobicContact CG2-CB 3.92Å; I220-I231 HydrophobicContact CD1-CB 4.31Å; I220-I231 HydrophobicContact CD1-CG2 4.1Å; I220-I231 WeakPolarHBondContact CD1-O 3.31Å; I220-T233 HydrophobicContact CD1-CG2 4.02Å; I220-T233 HydrophobicContact CG1-CG2 3.99Å |
| 221 | V | 96.9 | Very high | 95.9 | Very high | 73 Ų | 73 | 66 Ų | 66 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | trans | -75.7 | 133.9 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | G209 S224 | G209-V221 PolarHBondContact O-N 2.9Å; V221-S224 VanDerWaalsContact O-CB 3.27Å; V221-S224 WeakPolarHBondContact O-CB 3.46Å; V221-S224 PolarHBondContact O-N 2.89Å; V221-S224 PolarHBondContact O-OG 3.49Å | ||
| 222 | K | 95.8 | Very high | 95.8 | Very high | 181 Ų | 181 | 64.5 Ų | 64.5 | 79% | 0.787 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 147.7 | 174.6 | -65.6 | -176.2 | 178.4 | -177.3 | 0 | 110 | S224 | K222-S224 PolarHBondContact O-N 2.93Š|
| 223 | D | 94.5 | Very high | 95.9 | Very high | 143 Ų | 143 | 66.9 Ų | 66.9 | 77% | 0.765 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 16.2 | 177.4 | -47.6 | -54.9 | 0 | 0 | 0 | 115.2 | R228 | D223-R228 PolarHBondContact O-NH1 3.36Š|
| 224 | S | 96.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -83.6 | 166.8 | 173.1 | 68.9 | 0 | 0 | 0 | 0 | 113 | I208 V221 K222 A226 A227 R228 | I208-S224 WeakPolarHBondContact O-CB 3.38Å; V221-S224 VanDerWaalsContact O-CB 3.27Å; V221-S224 WeakPolarHBondContact O-CB 3.46Å; V221-S224 PolarHBondContact O-N 2.89Å; V221-S224 PolarHBondContact O-OG 3.49Å; K222-S224 PolarHBondContact O-N 2.93Å; S224-A226 VanDerWaalsContact C-N 3.29Å; S224-A226 PolarHBondContact O-N 2.69Å; S224-A227 PolarHBondContact O-N 2.85Å; S224-A227 PolarHBondContact OG-N 3.41Å; S224-A227 VanDerWaalsContact OG-N 3.11Å; S224-R228 PolarHBondContact O-N 3.19Å; S224-R228 VanDerWaalsContact O-N 3.07Å; S224-R228 PolarHBondContact O-NH1 3.07Å |
| 225 | S | 95.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 172.6 | -164 | 0 | 0 | 0 | 0 | 112.2 | H201 A227 R228 N229 | H201-S225 PolarHBondContact N-OG 3.49Å; H201-S225 WeakPolarHBondContact O-CB 3.24Å; H201-S225 PolarHBondContact O-OG 3.17Å; S225-A227 PolarHBondContact O-N 3.12Å; S225-R228 PolarHBondContact O-N 3.16Å; S225-N229 WeakPolarHBondContact O-CB 3.4Å; S225-N229 PolarHBondContact O-N 3.22Å; S225-N229 PolarHBondContact O-ND2 2.87Å; S225-N229 PolarHBondContact OG-ND2 3.3Å; S225-N229 VanDerWaalsContact OG-ND2 3.15Å |
| 226 | A | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I208 I210 I220 S224 G230 I231 | I208-A226 VanDerWaalsContact O-CB 3.24Å; I208-A226 WeakPolarHBondContact O-CB 3.44Å; I208-A226 PolarHBondContact O-N 2.83Å; I210-A226 HydrophobicContact CG2-CB 3.37Å; I220-A226 HydrophobicContact CG2-CB 4Å; S224-A226 VanDerWaalsContact C-N 3.29Å; S224-A226 PolarHBondContact O-N 2.69Å; A226-G230 PolarHBondContact O-N 3.29Å; A226-I231 HydrophobicContact CB-CB 4.11Å; A226-I231 HydrophobicContact CB-CD1 3.77Å; A226-I231 HydrophobicContact CB-CG1 4.12Å; A226-I231 WeakPolarHBondContact O-CB 3.45Å; A226-I231 PolarHBondContact O-N 2.94Å |
| 227 | A | 95.9 | Very high | 96.2 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I220 S224 S225 N229 G230 | I220-A227 HydrophobicContact CG2-CB 3.92Å; S224-A227 PolarHBondContact O-N 2.85Å; S224-A227 PolarHBondContact OG-N 3.41Å; S224-A227 VanDerWaalsContact OG-N 3.11Å; S225-A227 PolarHBondContact O-N 3.12Å; A227-N229 PolarHBondContact O-N 3.05Å; A227-G230 PolarHBondContact O-N 3.35Å |
| 228 | R | 96.6 | Very high | 96.2 | Very high | 171 Ų | 171 | 58.3 Ų | 58.3 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.6 | -35.8 | -179.8 | -72.2 | -168.7 | -64.5 | -80.9 | 2.6 | 113.8 | D223 S224 S225 G230 | D223-R228 PolarHBondContact O-NH1 3.36Å; S224-R228 PolarHBondContact O-N 3.19Å; S224-R228 VanDerWaalsContact O-N 3.07Å; S224-R228 PolarHBondContact O-NH1 3.07Å; S225-R228 PolarHBondContact O-N 3.16Å; R228-G230 VanDerWaalsContact C-N 3.34Å |
| 229 | N | 95.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 5.8 | -178.4 | -67.5 | -73.1 | 0 | 0 | 0 | 113.7 | I198 T199 V200 S225 A227 | I198-N229 HydrophobicContact CG2-CB 3.69Å; I198-N229 WeakPolarHBondContact CG2-O 3.34Å; T199-N229 WeakPolarHBondContact O-CB 3.48Å; T199-N229 PolarHBondContact O-ND2 3.2Å; T199-N229 PolarHBondContact O-OD1 2.96Å; V200-N229 HydrophobicContact CG1-CB 4.15Å; S225-N229 WeakPolarHBondContact O-CB 3.4Å; S225-N229 PolarHBondContact O-N 3.22Å; S225-N229 PolarHBondContact O-ND2 2.87Å; S225-N229 PolarHBondContact OG-ND2 3.3Å; S225-N229 VanDerWaalsContact OG-ND2 3.15Å; A227-N229 PolarHBondContact O-N 3.05Å |
| 230 | G | 93.1 | Very high | 96 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 36.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A226 A227 R228 | A226-G230 PolarHBondContact O-N 3.29Å; A227-G230 PolarHBondContact O-N 3.35Å; R228-G230 VanDerWaalsContact C-N 3.34Å |
| 231 | I | 95.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -57.4 | 143.2 | 162.4 | -67.4 | -165.2 | 0 | 0 | 0 | 108.5 | I198 V200 I208 I210 I217 I220 A226 | I198-I231 HydrophobicContact CB-CG1 4.29Å; I198-I231 HydrophobicContact CD1-CB 4.43Å; I198-I231 HydrophobicContact CD1-CG1 3.94Å; I198-I231 HydrophobicContact CG2-CG1 3.83Å; V200-I231 HydrophobicContact CG1-CD1 3.72Å; V200-I231 HydrophobicContact CG1-CG1 4.22Å; I208-I231 HydrophobicContact CD1-CD1 4.41Å; I210-I231 HydrophobicContact CG2-CD1 4.2Å; I210-I231 HydrophobicContact CG2-CG2 4.17Å; I217-I231 HydrophobicContact CD1-CG2 3.72Å; I217-I231 HydrophobicContact CG2-CG2 4.31Å; I220-I231 HydrophobicContact CD1-CB 4.31Å; I220-I231 HydrophobicContact CD1-CG2 4.1Å; I220-I231 WeakPolarHBondContact CD1-O 3.31Å; A226-I231 HydrophobicContact CB-CB 4.11Å; A226-I231 HydrophobicContact CB-CD1 3.77Å; A226-I231 HydrophobicContact CB-CG1 4.12Å; A226-I231 WeakPolarHBondContact O-CB 3.45Å; A226-I231 PolarHBondContact O-N 2.94Å | ||
| 232 | L | 95.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | trans | -112.6 | 140 | -178.4 | -61 | -179.9 | 0 | 0 | 0 | 111.1 | H235 | L232-H235 WeakPolarHBondContact CB-ND1 3.32Š| ||
| 233 | T | 96.6 | Very high | 95.4 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 43% | 0.429 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 165.2 | 166.4 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | I217 I220 H235 | I217-T233 HydrophobicContact CG2-CG2 4.44Å; I220-T233 HydrophobicContact CD1-CG2 4.02Å; I220-T233 HydrophobicContact CG1-CG2 3.99Å; T233-H235 PolarHBondContact O-N 2.75Å; T233-H235 PolarHBondContact O-ND1 3.2Å |
| 234 | N | 96.9 | Very high | 95.4 | Very high | 86 Ų | 86 | 35.9 Ų | 35.9 | 46% | 0.46 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 25.6 | -176.8 | -162.1 | 41.1 | 0 | 0 | 0 | 114 | I217 K271 | I217-N234 PolarHBondContact O-N 3.47Å; N234-K271 VanDerWaalsContact O-CB 3.25Å; N234-K271 WeakPolarHBondContact O-CB 3.34Å; N234-K271 PolarHBondContact O-N 2.93Å; N234-K271 VanDerWaalsContact O-N 3.15Å; N234-K271 WeakPolarHBondContact OD1-CD 3.45Å |
| 235 | H | 97.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 17% | 0.167 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.8 | 171.8 | -70.6 | 64.4 | 0 | 0 | 0 | 109.8 | I217 L232 T233 I268 I269 | I217-H235 HydrophobicContact CD1-CB 4.43Å; I217-H235 PolarHBondContact N-O 3.45Å; L232-H235 WeakPolarHBondContact CB-ND1 3.32Å; T233-H235 PolarHBondContact O-N 2.75Å; T233-H235 PolarHBondContact O-ND1 3.2Å; H235-I268 HydrophobicContact CB-CB 4.18Å; H235-I268 HydrophobicContact CB-CD1 4.02Å; H235-I268 HydrophobicContact CB-CG1 4.48Å; H235-I269 CarbonylContact C-O 3.56Å; H235-I269 WeakPolarHBondContact CA-O 3.16Å |
| 236 | Q | 97.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.4 | 177.7 | -170.7 | 75.7 | 17.5 | 0 | 0 | 109 | N214 G215 I238 I268 I269 Y274 | N214-Q236 PolarHBondContact O-NE2 2.85Å; G215-Q236 VanDerWaalsContact C-CD 3.49Å; G215-Q236 VanDerWaalsContact C-NE2 3.28Å; G215-Q236 VanDerWaalsContact CA-NE2 3.33Å; Q236-I238 HydrophobicContact CG-CG2 4.24Å; Q236-I268 CarbonylContact O-C 3.58Å; Q236-I268 VanDerWaalsContact O-CA 3.3Å; Q236-I268 WeakPolarHBondContact O-CA 3.47Å; Q236-I269 HydrophobicContact CB-CG2 3.96Å; Q236-I269 PolarHBondContact N-O 3.07Å; Q236-I269 PolarHBondContact O-N 3.13Å; Q236-Y274 HydrophobicContact CB-CD1 4.28Å; Q236-Y274 HydrophobicContact CB-CD2 4.21Å; Q236-Y274 HydrophobicContact CB-CG 3.94Å; Q236-Y274 HydrophobicContact CG-CD1 3.88Å; Q236-Y274 HydrophobicContact CG-CD2 3.73Å; Q236-Y274 HydrophobicContact CG-CE1 3.95Å; Q236-Y274 HydrophobicContact CG-CE2 3.8Å; Q236-Y274 HydrophobicContact CG-CG 3.76Å |
| 237 | I | 97.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.8 | 168.9 | -53.3 | 171.5 | 0 | 0 | 0 | 108.1 | I210 V212 G215 I217 V240 V245 L253 V266 I268 | I210-I237 HydrophobicContact CD1-CD1 3.62Å; V212-I237 HydrophobicContact CG2-CD1 3.81Å; G215-I237 PolarHBondContact O-N 2.95Å; I217-I237 HydrophobicContact CD1-CD1 4.41Å; I217-I237 HydrophobicContact CD1-CG1 3.9Å; I217-I237 HydrophobicContact CG1-CD1 4.06Å; I217-I237 HydrophobicContact CG1-CG1 3.87Å; I237-V240 HydrophobicContact CG2-CG2 4.11Å; I237-V245 HydrophobicContact CB-CG2 4.48Å; I237-V245 HydrophobicContact CG2-CG2 3.83Å; I237-L253 HydrophobicContact CD1-CD2 4.44Å; I237-V266 HydrophobicContact CG1-CG1 4.32Å; I237-V266 HydrophobicContact CG2-CG1 3.79Å; I237-I268 HydrophobicContact CG1-CG2 4.36Å |
| 238 | I | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | -24.5 | -176.1 | 54.4 | 169.6 | 0 | 0 | 0 | 113.5 | F153 E195 Q236 N244 V245 V246 T267 I269 Y274 | F153-I238 HydrophobicContact CE1-CG2 4.31Å; E195-I238 HydrophobicContact CB-CD1 4.49Å; E195-I238 HydrophobicContact CG-CD1 3.65Å; E195-I238 WeakPolarHBondContact OE1-CD1 3.46Å; E195-I238 WeakPolarHBondContact OE2-CD1 3.19Å; Q236-I238 HydrophobicContact CG-CG2 4.24Å; I238-N244 WeakPolarHBondContact O-CA 3.32Å; I238-V245 VanDerWaalsContact C-CG2 3.49Å; I238-V245 PolarHBondContact O-N 3.14Å; I238-V246 HydrophobicContact CB-CG2 3.88Å; I238-V246 HydrophobicContact CG2-CG2 3.84Å; I238-T267 HydrophobicContact CD1-CG2 3.98Å; I238-T267 HydrophobicContact CG1-CG2 3.94Å; I238-T267 VanDerWaalsContact CG1-O 3.31Å; I238-T267 WeakPolarHBondContact CG1-O 3.46Å; I238-T267 PolarHBondContact N-O 3.21Å; I238-I269 HydrophobicContact CD1-CB 3.84Å; I238-I269 HydrophobicContact CD1-CD1 4.21Å; I238-I269 HydrophobicContact CD1-CG2 4.04Å; I238-I269 HydrophobicContact CG1-CG2 4.43Å; I238-I269 HydrophobicContact CG2-CG2 3.63Å; I238-Y274 HydrophobicContact CG2-CD2 4.3Å; I238-Y274 HydrophobicContact CG2-CE2 4.45Å |
| 239 | E | 95.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.3 | 166.7 | -49.3 | 178.2 | 156.1 | 0 | 0 | 112.1 | R192 Q243 T267 | R192-E239 IonicContact CZ-OE2 3.36Å; R192-E239 IonicContact NH1-OE1 3.21Å; R192-E239 PolarHBondContact NH1-OE1 2.96Å; R192-E239 VanDerWaalsContact NH1-OE1 3.11Å; R192-E239 IonicContact NH1-OE2 3.92Å; R192-E239 PolarHBondContact NH1-OE2 3.09Å; E239-Q243 CarbonylContact C-O 3.6Å; E239-Q243 WeakPolarHBondContact CA-O 3.32Å; E239-Q243 WeakPolarHBondContact CB-O 3.47Å; E239-T267 PolarHBondContact N-O 3.41Å; E239-T267 PolarHBondContact O-N 2.73Å; E239-T267 PolarHBondContact OE2-OG1 2.86Å |
| 240 | V | 94.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121 | 169.1 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | I237 G242 Q243 V245 L253 L256 M257 M264 | I237-V240 HydrophobicContact CG2-CG2 4.11Å; V240-G242 PolarHBondContact O-N 3.06Å; V240-Q243 PolarHBondContact N-O 3.03Å; V240-Q243 WeakPolarHBondContact O-CB 3.37Å; V240-Q243 PolarHBondContact O-N 3.12Å; V240-V245 HydrophobicContact CB-CG1 4.47Å; V240-V245 HydrophobicContact CG2-CG1 4.12Å; V240-V245 HydrophobicContact CG2-CG2 4.46Å; V240-L253 HydrophobicContact CG2-CD1 4.12Å; V240-L256 HydrophobicContact CB-CD2 4.37Å; V240-M257 HydrophobicContact CG1-CG 4.31Å; V240-M257 HydrophobicContact CG2-CG 4.09Å; V240-M264 HydrophobicContact CG1-CG 3.96Å; V240-M264 HydrophobicContact CG1-SD 4.19Å |
| 241 | N | 92.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 38 Ų | 38 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 37.1 | -173.4 | -67.6 | -7.8 | 0 | 0 | 0 | 113.8 | Q243 M264 K265 | N241-Q243 PolarHBondContact O-N 3.37Å; N241-M264 VanDerWaalsContact OD1-CA 3.28Å; N241-M264 WeakPolarHBondContact OD1-CA 3.42Å; N241-K265 PolarHBondContact N-O 3.43Å; N241-K265 PolarHBondContact OD1-N 3.49Å |
| 242 | G | 91 | Very high | 95.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V240 | V240-G242 PolarHBondContact O-N 3.06Š|
| 243 | Q | 93.7 | Very high | 95.2 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 27% | 0.271 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.1 | 172.1 | -165.4 | 170.4 | 12.9 | 0 | 0 | 110.7 | E239 V240 N241 L256 L294 | E239-Q243 CarbonylContact C-O 3.6Å; E239-Q243 WeakPolarHBondContact CA-O 3.32Å; E239-Q243 WeakPolarHBondContact CB-O 3.47Å; V240-Q243 PolarHBondContact N-O 3.03Å; V240-Q243 WeakPolarHBondContact O-CB 3.37Å; V240-Q243 PolarHBondContact O-N 3.12Å; N241-Q243 PolarHBondContact O-N 3.37Å; Q243-L256 VanDerWaalsContact OE1-CD1 3.27Å; Q243-L294 HydrophobicContact CB-CD2 3.77Å; Q243-L294 HydrophobicContact CG-CD2 4.34Å |
| 244 | N | 94.4 | Very high | 95 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 133.6 | 178.8 | -167.9 | -71.7 | 0 | 0 | 0 | 112.5 | I238 V246 D291 R292 | I238-N244 WeakPolarHBondContact O-CA 3.32Å; N244-V246 VanDerWaalsContact OD1-CB 3.25Å; N244-V246 WeakPolarHBondContact OD1-CB 3.37Å; N244-V246 WeakPolarHBondContact OD1-CG2 3.43Å; N244-V246 PolarHBondContact OD1-N 3.04Å; N244-D291 WeakPolarHBondContact CB-O 3.47Å; N244-R292 HydrophobicContact CB-CG 4.43Å; N244-R292 WeakPolarHBondContact O-CG 3.44Å |
| 245 | V | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | trans | -120.8 | 9.4 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | I237 I238 V240 G247 L248 L253 L256 | I237-V245 HydrophobicContact CB-CG2 4.48Å; I237-V245 HydrophobicContact CG2-CG2 3.83Å; I238-V245 VanDerWaalsContact C-CG2 3.49Å; I238-V245 PolarHBondContact O-N 3.14Å; V240-V245 HydrophobicContact CB-CG1 4.47Å; V240-V245 HydrophobicContact CG2-CG1 4.12Å; V240-V245 HydrophobicContact CG2-CG2 4.46Å; V245-G247 PolarHBondContact O-N 3.11Å; V245-L248 HydrophobicContact CB-CD1 3.93Å; V245-L248 HydrophobicContact CG1-CD1 4.02Å; V245-L248 WeakPolarHBondContact O-CB 3.38Å; V245-L248 PolarHBondContact O-N 2.99Å; V245-L253 HydrophobicContact CB-CD1 3.88Å; V245-L253 HydrophobicContact CG1-CD1 3.89Å; V245-L253 HydrophobicContact CG2-CD1 3.86Å; V245-L256 HydrophobicContact CG1-CD2 3.53Å | ||
| 246 | V | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 131.3 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | F153 I238 N244 L248 Y274 L286 M290 R292 | F153-V246 HydrophobicContact CD1-CG2 4.18Å; F153-V246 HydrophobicContact CD2-CG2 4.48Å; F153-V246 HydrophobicContact CE1-CG2 4.37Å; F153-V246 HydrophobicContact CE2-CG1 4.3Å; F153-V246 HydrophobicContact CG-CG2 4.23Å; I238-V246 HydrophobicContact CB-CG2 3.88Å; I238-V246 HydrophobicContact CG2-CG2 3.84Å; N244-V246 VanDerWaalsContact OD1-CB 3.25Å; N244-V246 WeakPolarHBondContact OD1-CB 3.37Å; N244-V246 WeakPolarHBondContact OD1-CG2 3.43Å; N244-V246 PolarHBondContact OD1-N 3.04Å; V246-L248 PolarHBondContact O-N 3.39Å; V246-Y274 HydrophobicContact CG1-CE2 4.06Å; V246-L286 HydrophobicContact CG1-CD1 4.45Å; V246-L286 HydrophobicContact CG1-CD2 4.13Å; V246-M290 HydrophobicContact CB-CG 4.46Å; V246-R292 PolarHBondContact O-NH2 3.43Å |
| 247 | G | 93.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 3.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | V245 R287 | V245-G247 PolarHBondContact O-N 3.11Å; G247-R287 WeakPolarHBondContact O-CB 3.36Å; G247-R287 WeakPolarHBondContact O-CG 3.43Å |
| 248 | L | 94.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | trans | -66.7 | 156.8 | 170.5 | -69.7 | -176 | 0 | 0 | 0 | 111.4 | V245 V246 D252 | V245-L248 HydrophobicContact CB-CD1 3.93Å; V245-L248 HydrophobicContact CG1-CD1 4.02Å; V245-L248 WeakPolarHBondContact O-CB 3.38Å; V245-L248 PolarHBondContact O-N 2.99Å; V246-L248 PolarHBondContact O-N 3.39Å; L248-D252 HydrophobicContact CB-CB 4.43Å | ||
| 249 | K | 94.9 | Very high | 94.1 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 53% | 0.526 | 24% | 0.238 | S | C | . | . | trans | -76.7 | 152 | 169.1 | -68.1 | -178.3 | 177.3 | -175.9 | 0 | 109.2 | K251 D252 L253 | K249-K251 PolarHBondContact O-N 3.21Å; K249-K251 VanDerWaalsContact O-N 3.15Å; K249-D252 PolarHBondContact O-N 2.88Å; K249-L253 PolarHBondContact O-N 3.01Å | ||
| 250 | D | 95.2 | Very high | 93.9 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.3 | -35.5 | 178.2 | -65.5 | -25.2 | 0 | 0 | 0 | 112.9 | R213 N214 G215 L253 L254 | R213-D250 WeakPolarHBondContact CA-OD2 3.23Å; N214-D250 WeakPolarHBondContact CA-OD1 3.43Å; N214-D250 PolarHBondContact N-OD1 2.74Å; N214-D250 PolarHBondContact N-OD2 2.82Å; G215-D250 PolarHBondContact N-OD1 3.27Å; D250-L253 PolarHBondContact O-N 3.04Å; D250-L254 VanDerWaalsContact O-CB 3.3Å; D250-L254 WeakPolarHBondContact O-CB 3.25Å; D250-L254 WeakPolarHBondContact O-CG 3.43Å; D250-L254 PolarHBondContact O-N 3.32Å |
| 251 | K | 95.5 | Very high | 93.7 | Very high | 160 Ų | 160 | 56.7 Ų | 56.7 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59 | -49.9 | 173.9 | -173.6 | -171.9 | 175.4 | -172.1 | 0 | 111.7 | K249 L253 Q255 | K249-K251 PolarHBondContact O-N 3.21Å; K249-K251 VanDerWaalsContact O-N 3.15Å; K251-L253 VanDerWaalsContact C-N 3.33Å; K251-Q255 WeakPolarHBondContact O-CB 3.43Å; K251-Q255 PolarHBondContact O-N 3.31Å |
| 252 | D | 94.9 | Very high | 93.5 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | -176.9 | -46.2 | -20.3 | 0 | 0 | 0 | 110.1 | L248 K249 L256 R287 | L248-D252 HydrophobicContact CB-CB 4.43Å; K249-D252 PolarHBondContact O-N 2.88Å; D252-L256 PolarHBondContact O-N 3.5Å; D252-L256 VanDerWaalsContact O-N 3.15Å; D252-R287 IonicContact OD1-NH2 3.55Å; D252-R287 IonicContact OD2-CZ 2.63Å; D252-R287 IonicContact OD2-NE 2.76Å; D252-R287 PolarHBondContact OD2-NE 3.15Å; D252-R287 IonicContact OD2-NH2 2.77Å; D252-R287 PolarHBondContact OD2-NH2 3.25Å |
| 253 | L | 95.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.8 | -48.3 | 175.7 | 170.3 | 59.1 | 0 | 0 | 0 | 112.9 | V212 I237 V240 V245 K249 D250 K251 Q255 L256 M257 | V212-L253 HydrophobicContact CG1-CD2 3.98Å; I237-L253 HydrophobicContact CD1-CD2 4.44Å; V240-L253 HydrophobicContact CG2-CD1 4.12Å; V245-L253 HydrophobicContact CB-CD1 3.88Å; V245-L253 HydrophobicContact CG1-CD1 3.89Å; V245-L253 HydrophobicContact CG2-CD1 3.86Å; K249-L253 PolarHBondContact O-N 3.01Å; D250-L253 PolarHBondContact O-N 3.04Å; K251-L253 VanDerWaalsContact C-N 3.33Å; L253-Q255 VanDerWaalsContact C-N 3.34Å; L253-L256 PolarHBondContact O-N 3.5Å; L253-M257 HydrophobicContact CD1-CG 4.28Å; L253-M257 HydrophobicContact CD1-SD 4.13Å; L253-M257 HydrophobicContact CG-SD 4.3Å; L253-M257 WeakPolarHBondContact O-CG 3.25Å; L253-M257 PolarHBondContact O-N 2.91Å |
| 254 | L | 93.7 | Very high | 93.6 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 179.1 | -71.6 | 170.5 | 0 | 0 | 0 | 110.7 | D250 L256 M257 D258 | D250-L254 VanDerWaalsContact O-CB 3.3Å; D250-L254 WeakPolarHBondContact O-CB 3.25Å; D250-L254 WeakPolarHBondContact O-CG 3.43Å; D250-L254 PolarHBondContact O-N 3.32Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.24Å; L254-M257 CarbonylContact O-C 3.54Å; L254-M257 WeakPolarHBondContact O-CB 3.39Å; L254-M257 PolarHBondContact O-N 3.08Å; L254-M257 VanDerWaalsContact O-N 3.11Å; L254-D258 PolarHBondContact O-N 3.04Å |
| 255 | Q | 94.1 | Very high | 93.5 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.3 | -46 | 173.8 | 179.8 | 173.6 | -9.7 | 0 | 0 | 112 | K251 L253 M257 D258 E259 | K251-Q255 WeakPolarHBondContact O-CB 3.43Å; K251-Q255 PolarHBondContact O-N 3.31Å; L253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-M257 VanDerWaalsContact C-N 3.3Å; Q255-M257 PolarHBondContact O-N 2.99Å; Q255-D258 PolarHBondContact O-N 2.96Å; Q255-E259 HydrophobicContact CG-CG 4.45Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.48Å; Q255-E259 PolarHBondContact NE2-OE1 2.65Å; Q255-E259 WeakPolarHBondContact O-CB 3.27Å; Q255-E259 WeakPolarHBondContact O-CG 3.5Å; Q255-E259 PolarHBondContact O-N 3.02Å |
| 256 | L | 93.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.2 | -174.7 | 70.5 | 0 | 0 | 0 | 112.1 | V240 Q243 V245 D252 L253 L254 S260 | V240-L256 HydrophobicContact CB-CD2 4.37Å; Q243-L256 VanDerWaalsContact OE1-CD1 3.27Å; V245-L256 HydrophobicContact CG1-CD2 3.53Å; D252-L256 PolarHBondContact O-N 3.5Å; D252-L256 VanDerWaalsContact O-N 3.15Å; L253-L256 PolarHBondContact O-N 3.5Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.24Å; L256-S260 WeakPolarHBondContact O-CB 3.2Å; L256-S260 PolarHBondContact O-N 2.83Å |
| 257 | M | 94 | Very high | 93.5 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175 | -69.8 | 177 | 64.4 | 0 | 0 | 111.5 | K202 I208 I210 V240 L253 L254 Q255 S260 M264 | K202-M257 WeakPolarHBondContact CE-O 3.5Å; K202-M257 PolarHBondContact NZ-O 3.38Å; I208-M257 HydrophobicContact CD1-CE 3.41Å; I208-M257 VanDerWaalsContact CD1-CE 3.41Å; I208-M257 HydrophobicContact CG1-CE 3.84Å; I210-M257 HydrophobicContact CD1-CE 3.97Å; I210-M257 HydrophobicContact CG1-CE 4.37Å; V240-M257 HydrophobicContact CG1-CG 4.31Å; V240-M257 HydrophobicContact CG2-CG 4.09Å; L253-M257 HydrophobicContact CD1-CG 4.28Å; L253-M257 HydrophobicContact CD1-SD 4.13Å; L253-M257 HydrophobicContact CG-SD 4.3Å; L253-M257 WeakPolarHBondContact O-CG 3.25Å; L253-M257 PolarHBondContact O-N 2.91Å; L254-M257 CarbonylContact O-C 3.54Å; L254-M257 WeakPolarHBondContact O-CB 3.39Å; L254-M257 PolarHBondContact O-N 3.08Å; L254-M257 VanDerWaalsContact O-N 3.11Å; Q255-M257 VanDerWaalsContact C-N 3.3Å; Q255-M257 PolarHBondContact O-N 2.99Å; M257-S260 PolarHBondContact O-N 2.82Å; M257-S260 PolarHBondContact O-OG 2.81Å; M257-M264 HydrophobicContact CB-CE 3.93Å; M257-M264 HydrophobicContact CE-CE 4.3Å; M257-M264 HydrophobicContact CE-SD 4.16Å; M257-M264 HydrophobicContact CG-CE 4.34Å; M257-M264 WeakPolarHBondContact O-CE 3.48Å |
| 258 | D | 92.8 | Very high | 93.7 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 57% | 0.572 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.5 | -37.7 | 179.3 | -66.5 | -21.3 | 0 | 0 | 0 | 112.1 | K202 L254 Q255 | K202-D258 VanDerWaalsContact NZ-C 3.27Å; K202-D258 PolarHBondContact NZ-O 2.85Å; L254-D258 PolarHBondContact O-N 3.04Å; Q255-D258 PolarHBondContact O-N 2.96Å |
| 259 | E | 92.5 | Very high | 93.8 | Very high | 131 Ų | 131 | 56.9 Ų | 56.9 | 61% | 0.612 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -73.2 | -27.5 | 175.1 | -70.9 | 171.7 | -169.1 | 0 | 0 | 113.2 | Q255 | Q255-E259 HydrophobicContact CG-CG 4.45Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.48Å; Q255-E259 PolarHBondContact NE2-OE1 2.65Å; Q255-E259 WeakPolarHBondContact O-CB 3.27Å; Q255-E259 WeakPolarHBondContact O-CG 3.5Å; Q255-E259 PolarHBondContact O-N 3.02Å |
| 260 | S | 90.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 53 Ų | 53 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -67.6 | 147.1 | -176.2 | 75.4 | 0 | 0 | 0 | 0 | 114.3 | K202 L256 M257 M264 | K202-S260 PolarHBondContact NZ-O 3.36Å; L256-S260 WeakPolarHBondContact O-CB 3.2Å; L256-S260 PolarHBondContact O-N 2.83Å; M257-S260 PolarHBondContact O-N 2.82Å; M257-S260 PolarHBondContact O-OG 2.81Å; S260-M264 WeakPolarHBondContact OG-CE 3.5Å |
| 261 | K | 89.9 | Confident | 94 | Very high | 176 Ų | 176 | 54 Ų | 54 | 77% | 0.765 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 155.8 | 177.1 | -63.5 | -179 | -177.8 | 177.7 | 0 | 111.9 | P263 | K261-P263 CarbonylContact O-C 3.51Š|
| 262 | T | 89.5 | Confident | 94 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -91.8 | 143.4 | 168.9 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | K202 | K202-T262 HydrophobicContact CB-CG2 3.62Å; K202-T262 HydrophobicContact CD-CG2 3.98Å; K202-T262 HydrophobicContact CG-CG2 3.62Å; K202-T262 VanDerWaalsContact N-CG2 3.27Å |
| 263 | P | 92 | Very high | 94.1 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | S | Bend | cis | -66.9 | 140.4 | -4.3 | 27.9 | -34.7 | 0 | 0 | 0 | 112.3 | T199 K261 | T199-P263 HydrophobicContact CG2-CB 3.65Å; K261-P263 CarbonylContact O-C 3.51Å |
| 264 | M | 93.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.6 | 178.1 | 178.2 | -154.2 | -73.9 | 0 | 0 | 108.7 | T199 V200 I208 V240 N241 M257 S260 V266 | T199-M264 CarbonylContact C-O 3.59Å; T199-M264 WeakPolarHBondContact CA-O 3.35Å; V200-M264 HydrophobicContact CG2-CB 4.17Å; V200-M264 HydrophobicContact CG2-CG 4.43Å; V200-M264 WeakPolarHBondContact CG2-O 3.39Å; V200-M264 HydrophobicContact CG2-SD 4.01Å; V200-M264 PolarHBondContact N-O 3.15Å; V200-M264 PolarHBondContact O-N 3.37Å; I208-M264 HydrophobicContact CD1-SD 4.25Å; I208-M264 HydrophobicContact CG2-CE 3.97Å; I208-M264 HydrophobicContact CG2-SD 4.13Å; V240-M264 HydrophobicContact CG1-CG 3.96Å; V240-M264 HydrophobicContact CG1-SD 4.19Å; N241-M264 VanDerWaalsContact OD1-CA 3.28Å; N241-M264 WeakPolarHBondContact OD1-CA 3.42Å; M257-M264 HydrophobicContact CB-CE 3.93Å; M257-M264 HydrophobicContact CE-CE 4.3Å; M257-M264 HydrophobicContact CE-SD 4.16Å; M257-M264 HydrophobicContact CG-CE 4.34Å; M257-M264 WeakPolarHBondContact O-CE 3.48Å; S260-M264 WeakPolarHBondContact OG-CE 3.5Å; M264-V266 HydrophobicContact CG-CG2 4.02Å; M264-V266 HydrophobicContact SD-CG2 3.54Å; M264-V266 VanDerWaalsContact SD-CG2 3.54Å |
| 265 | K | 94.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 10% | 0.104 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.5 | 172.1 | -67.2 | -172.1 | -178.7 | -174.1 | 0 | 109.1 | D103 I105 D106 V197 N241 | D103-K265 VanDerWaalsContact CG-NZ 3.33Å; D103-K265 IonicContact OD2-NZ 3.47Å; D103-K265 PolarHBondContact OD2-NZ 3.08Å; I105-K265 HydrophobicContact CB-CD 3.94Å; I105-K265 HydrophobicContact CD1-CD 4.19Å; I105-K265 HydrophobicContact CG2-CB 3.92Å; I105-K265 HydrophobicContact CG2-CD 3.64Å; I105-K265 HydrophobicContact CG2-CG 4.42Å; D106-K265 IonicContact OD1-NZ 3.91Å; D106-K265 PolarHBondContact OD1-NZ 2.8Å; V197-K265 HydrophobicContact CG1-CB 3.94Å; V197-K265 HydrophobicContact CG1-CD 4.27Å; V197-K265 HydrophobicContact CG1-CG 4.32Å; N241-K265 PolarHBondContact N-O 3.43Å; N241-K265 PolarHBondContact OD1-N 3.49Å |
| 266 | V | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.3 | 177.4 | -176 | 0 | 0 | 0 | 0 | 109 | I198 V200 I208 I237 M264 I268 | I198-V266 PolarHBondContact N-O 2.86Å; I198-V266 PolarHBondContact O-N 2.88Å; V200-V266 HydrophobicContact CG2-CG2 3.85Å; I208-V266 HydrophobicContact CD1-CG2 4.41Å; I237-V266 HydrophobicContact CG1-CG1 4.32Å; I237-V266 HydrophobicContact CG2-CG1 3.79Å; M264-V266 HydrophobicContact CG-CG2 4.02Å; M264-V266 HydrophobicContact SD-CG2 3.54Å; M264-V266 VanDerWaalsContact SD-CG2 3.54Å; V266-I268 HydrophobicContact CG1-CG2 3.88Å |
| 267 | T | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.1 | 174.9 | -51.2 | 0 | 0 | 0 | 0 | 109.4 | I107 E195 V197 I238 E239 | I107-T267 HydrophobicContact CD1-CG2 3.63Å; E195-T267 HydrophobicContact CB-CG2 4.12Å; E195-T267 VanDerWaalsContact OE2-CG2 3.29Å; E195-T267 WeakPolarHBondContact OE2-CG2 3.5Å; V197-T267 HydrophobicContact CG2-CG2 4.48Å; I238-T267 HydrophobicContact CD1-CG2 3.98Å; I238-T267 HydrophobicContact CG1-CG2 3.94Å; I238-T267 VanDerWaalsContact CG1-O 3.31Å; I238-T267 WeakPolarHBondContact CG1-O 3.46Å; I238-T267 PolarHBondContact N-O 3.21Å; E239-T267 PolarHBondContact N-O 3.41Å; E239-T267 PolarHBondContact O-N 2.73Å; E239-T267 PolarHBondContact OE2-OG1 2.86Å |
| 268 | I | 96.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.7 | -178.4 | 67.2 | 168.8 | 0 | 0 | 0 | 112.2 | E195 R196 I198 I217 H235 Q236 I237 V266 | E195-I268 WeakPolarHBondContact CA-O 3.28Å; R196-I268 HydrophobicContact CB-CG1 4.13Å; R196-I268 PolarHBondContact N-O 3.42Å; R196-I268 WeakPolarHBondContact O-CG1 3.32Å; R196-I268 PolarHBondContact O-N 3.42Å; I198-I268 HydrophobicContact CD1-CD1 3.65Å; I198-I268 HydrophobicContact CD1-CG1 4.25Å; I217-I268 HydrophobicContact CD1-CG2 3.86Å; H235-I268 HydrophobicContact CB-CB 4.18Å; H235-I268 HydrophobicContact CB-CD1 4.02Å; H235-I268 HydrophobicContact CB-CG1 4.48Å; Q236-I268 CarbonylContact O-C 3.58Å; Q236-I268 VanDerWaalsContact O-CA 3.3Å; Q236-I268 WeakPolarHBondContact O-CA 3.47Å; I237-I268 HydrophobicContact CG1-CG2 4.36Å; V266-I268 HydrophobicContact CG1-CG2 3.88Å |
| 269 | I | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.5 | 179.6 | -160 | 169.2 | 0 | 0 | 0 | 110.4 | F153 F194 E195 H235 Q236 I238 K271 F273 Y274 | F153-I269 HydrophobicContact CE1-CD1 4.45Å; F194-I269 HydrophobicContact CB-CG1 4.44Å; E195-I269 HydrophobicContact CG-CB 4.19Å; E195-I269 HydrophobicContact CG-CD1 3.64Å; E195-I269 HydrophobicContact CG-CG1 3.92Å; H235-I269 CarbonylContact C-O 3.56Å; H235-I269 WeakPolarHBondContact CA-O 3.16Å; Q236-I269 HydrophobicContact CB-CG2 3.96Å; Q236-I269 PolarHBondContact N-O 3.07Å; Q236-I269 PolarHBondContact O-N 3.13Å; I238-I269 HydrophobicContact CD1-CB 3.84Å; I238-I269 HydrophobicContact CD1-CD1 4.21Å; I238-I269 HydrophobicContact CD1-CG2 4.04Å; I238-I269 HydrophobicContact CG1-CG2 4.43Å; I238-I269 HydrophobicContact CG2-CG2 3.63Å; I269-K271 PolarHBondContact O-N 3.48Å; I269-F273 HydrophobicContact CD1-CD1 3.47Å; I269-F273 VanDerWaalsContact CD1-CD1 3.47Å; I269-F273 HydrophobicContact CD1-CE1 3.8Å; I269-F273 HydrophobicContact CG1-CD1 3.93Å; I269-Y274 HydrophobicContact CG2-CD2 4.38Å |
| 270 | P | 97.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 133.2 | 178.6 | -25.9 | 34.5 | 0 | 0 | 0 | 112.5 | F194 T272 F273 Y274 | F194-P270 WeakPolarHBondContact O-CD 3.49Å; P270-T272 PolarHBondContact O-N 2.7Å; P270-T272 VanDerWaalsContact O-N 3.14Å; P270-F273 PolarHBondContact O-N 2.85Å; P270-Y274 PolarHBondContact O-N 3.07Å; P270-Y274 VanDerWaalsContact O-N 3.1Å |
| 271 | K | 96.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53 | -40.3 | -178.3 | -173.3 | -166 | -175.3 | -52.1 | 0 | 112.8 | L216 N234 I269 F273 Y274 D275 | L216-K271 HydrophobicContact CD1-CB 3.76Å; L216-K271 HydrophobicContact CD1-CD 3.83Å; L216-K271 HydrophobicContact CD1-CG 3.76Å; L216-K271 HydrophobicContact CD2-CD 3.83Å; N234-K271 VanDerWaalsContact O-CB 3.25Å; N234-K271 WeakPolarHBondContact O-CB 3.34Å; N234-K271 PolarHBondContact O-N 2.93Å; N234-K271 VanDerWaalsContact O-N 3.15Å; N234-K271 WeakPolarHBondContact OD1-CD 3.45Å; I269-K271 PolarHBondContact O-N 3.48Å; K271-F273 PolarHBondContact O-N 2.74Å; K271-Y274 PolarHBondContact O-N 2.73Å; K271-D275 IonicContact NZ-OD1 2.75Å; K271-D275 PolarHBondContact NZ-OD1 3.19Å; K271-D275 IonicContact NZ-OD2 3.74Å; K271-D275 PolarHBondContact NZ-OD2 2.81Å; K271-D275 WeakPolarHBondContact O-CB 3.44Å; K271-D275 PolarHBondContact O-N 3.02Å |
| 272 | T | 96.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 54% | 0.54 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -21 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | P270 K276 | P270-T272 PolarHBondContact O-N 2.7Å; P270-T272 VanDerWaalsContact O-N 3.14Å; T272-K276 WeakPolarHBondContact O-CD 3.44Å; T272-K276 WeakPolarHBondContact O-CE 3.04Å; T272-K276 WeakPolarHBondContact O-CG 3.48Å |
| 273 | F | 96.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -93.6 | -42.9 | 174.2 | -174.1 | -99.9 | 0 | 0 | 0 | 111.1 | I131 F136 F194 I269 P270 K271 D275 K276 L277 | I131-F273 HydrophobicContact CB-CE2 4.27Å; I131-F273 HydrophobicContact CD1-CD2 4.05Å; I131-F273 HydrophobicContact CD1-CE2 3.6Å; I131-F273 HydrophobicContact CD1-CZ 3.96Å; I131-F273 HydrophobicContact CG2-CD2 4.14Å; I131-F273 HydrophobicContact CG2-CE2 3.88Å; F136-F273 AromaticContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD1-CZ 3.75Å; F136-F273 HydrophobicContact CD2-CZ 4.4Å; F136-F273 HydrophobicContact CE1-CE2 4.45Å; F136-F273 AromaticContact CE1-CZ 3.97Å; F136-F273 HydrophobicContact CE1-CZ 3.97Å; F136-F273 AromaticContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CG-CZ 3.98Å; F136-F273 HydrophobicContact CZ-CE2 4.46Å; F136-F273 HydrophobicContact CZ-CZ 4.41Å; F194-F273 HydrophobicContact CB-CD1 4.13Å; F194-F273 HydrophobicContact CB-CE1 4.16Å; F194-F273 HydrophobicContact CB-CG 4.43Å; F194-F273 HydrophobicContact CD2-CD1 4.34Å; F194-F273 AromaticContact CD2-CD2 3.99Å; F194-F273 HydrophobicContact CD2-CD2 3.99Å; F194-F273 AromaticContact CD2-CE1 3.81Å; F194-F273 HydrophobicContact CD2-CE1 3.81Å; F194-F273 AromaticContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CE2 3.45Å; F194-F273 VanDerWaalsContact CD2-CE2 3.45Å; F194-F273 HydrophobicContact CD2-CG 4.41Å; F194-F273 AromaticContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CD2-CZ 3.35Å; F194-F273 HydrophobicContact CE2-CD2 4.28Å; F194-F273 AromaticContact CE2-CE2 3.6Å; F194-F273 HydrophobicContact CE2-CE2 3.6Å; F194-F273 AromaticContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CE2-CZ 3.85Å; F194-F273 HydrophobicContact CG-CD1 4.46Å; F194-F273 HydrophobicContact CG-CD2 4.32Å; F194-F273 HydrophobicContact CG-CE1 4.32Å; F194-F273 HydrophobicContact CG-CE2 4.22Å; F194-F273 HydrophobicContact CG-CG 4.45Å; F194-F273 HydrophobicContact CG-CZ 4.22Å; F194-F273 HydrophobicContact CZ-CE2 4.47Å; I269-F273 HydrophobicContact CD1-CD1 3.47Å; I269-F273 VanDerWaalsContact CD1-CD1 3.47Å; I269-F273 HydrophobicContact CD1-CE1 3.8Å; I269-F273 HydrophobicContact CG1-CD1 3.93Å; P270-F273 PolarHBondContact O-N 2.85Å; K271-F273 PolarHBondContact O-N 2.74Å; F273-D275 VanDerWaalsContact C-N 3.33Å; F273-D275 PolarHBondContact O-N 2.81Å; F273-K276 WeakPolarHBondContact O-CB 3.41Å; F273-K276 PolarHBondContact O-N 3.47Å; F273-L277 HydrophobicContact CD1-CD1 3.9Å; F273-L277 HydrophobicContact CD1-CG 4.36Å; F273-L277 HydrophobicContact CE1-CD1 3.53Å; F273-L277 HydrophobicContact CE1-CD2 4.47Å; F273-L277 HydrophobicContact CE1-CG 4.04Å; F273-L277 HydrophobicContact CZ-CD1 4.28Å; F273-L277 HydrophobicContact CZ-CD2 4.46Å; F273-L277 HydrophobicContact CZ-CG 4.4Å; F273-L277 PolarHBondContact O-N 2.69Å; F273-L277 VanDerWaalsContact O-N 3.09Å |
| 274 | Y | 96.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 9% | 0.09 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54 | -46.3 | 172.2 | 179.1 | -100 | 0 | 0 | 0 | 112.9 | F153 Q236 I238 V246 I269 P270 K271 K276 L277 T278 | F153-Y274 HydrophobicContact CE1-CD2 4.15Å; F153-Y274 AromaticContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CD2 3.85Å; F153-Y274 HydrophobicContact CZ-CE2 4.03Å; Q236-Y274 HydrophobicContact CB-CD1 4.28Å; Q236-Y274 HydrophobicContact CB-CD2 4.21Å; Q236-Y274 HydrophobicContact CB-CG 3.94Å; Q236-Y274 HydrophobicContact CG-CD1 3.88Å; Q236-Y274 HydrophobicContact CG-CD2 3.73Å; Q236-Y274 HydrophobicContact CG-CE1 3.95Å; Q236-Y274 HydrophobicContact CG-CE2 3.8Å; Q236-Y274 HydrophobicContact CG-CG 3.76Å; I238-Y274 HydrophobicContact CG2-CD2 4.3Å; I238-Y274 HydrophobicContact CG2-CE2 4.45Å; V246-Y274 HydrophobicContact CG1-CE2 4.06Å; I269-Y274 HydrophobicContact CG2-CD2 4.38Å; P270-Y274 PolarHBondContact O-N 3.07Å; P270-Y274 VanDerWaalsContact O-N 3.1Å; K271-Y274 PolarHBondContact O-N 2.73Å; Y274-K276 PolarHBondContact O-N 2.7Å; Y274-L277 PolarHBondContact O-N 3.33Å; Y274-T278 HydrophobicContact CD2-CG2 4.14Å; Y274-T278 HydrophobicContact CE1-CG2 4.15Å; Y274-T278 HydrophobicContact CE2-CG2 3.7Å; Y274-T278 PolarHBondContact O-N 2.85Å; Y274-T278 PolarHBondContact O-OG1 2.97Å |
| 275 | D | 95.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.7 | -33.9 | 176.8 | -69.6 | -17.8 | 0 | 0 | 0 | 111.7 | K271 F273 R279 | K271-D275 IonicContact NZ-OD1 2.75Å; K271-D275 PolarHBondContact NZ-OD1 3.19Å; K271-D275 IonicContact NZ-OD2 3.74Å; K271-D275 PolarHBondContact NZ-OD2 2.81Å; K271-D275 WeakPolarHBondContact O-CB 3.44Å; K271-D275 PolarHBondContact O-N 3.02Å; F273-D275 VanDerWaalsContact C-N 3.33Å; F273-D275 PolarHBondContact O-N 2.81Å; D275-R279 VanDerWaalsContact O-CB 3.24Å; D275-R279 WeakPolarHBondContact O-CB 3.42Å; D275-R279 PolarHBondContact O-N 2.93Å |
| 276 | K | 95.8 | Very high | 94 | Very high | 91 Ų | 91 | 46.6 Ų | 46.6 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.8 | -40.4 | -179.9 | -69.5 | 173.3 | -172.8 | 175.1 | 0 | 112.3 | I131 T272 F273 Y274 | I131-K276 HydrophobicContact CD1-CB 3.72Å; I131-K276 HydrophobicContact CG1-CB 4.16Å; I131-K276 HydrophobicContact CG2-CD 3.95Å; T272-K276 WeakPolarHBondContact O-CD 3.44Å; T272-K276 WeakPolarHBondContact O-CE 3.04Å; T272-K276 WeakPolarHBondContact O-CG 3.48Å; F273-K276 WeakPolarHBondContact O-CB 3.41Å; F273-K276 PolarHBondContact O-N 3.47Å; Y274-K276 PolarHBondContact O-N 2.7Å |
| 277 | L | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 174 | -71.5 | 174.6 | 0 | 0 | 0 | 110.9 | K129 I131 F136 S138 F153 F273 Y274 | K129-L277 HydrophobicContact CB-CD2 4.4Å; I131-L277 HydrophobicContact CD1-CD2 3.56Å; I131-L277 HydrophobicContact CD1-CG 3.78Å; F136-L277 HydrophobicContact CB-CD2 3.72Å; S138-L277 WeakPolarHBondContact CB-O 3.45Å; F153-L277 HydrophobicContact CD1-CD1 4.33Å; F153-L277 HydrophobicContact CE1-CD1 3.56Å; F153-L277 HydrophobicContact CE2-CB 4.19Å; F153-L277 HydrophobicContact CE2-CD1 4.09Å; F153-L277 HydrophobicContact CZ-CB 3.91Å; F153-L277 HydrophobicContact CZ-CD1 3.42Å; F153-L277 VanDerWaalsContact CZ-CD1 3.42Å; F153-L277 HydrophobicContact CZ-CG 4.32Å; F273-L277 HydrophobicContact CD1-CD1 3.9Å; F273-L277 HydrophobicContact CD1-CG 4.36Å; F273-L277 HydrophobicContact CE1-CD1 3.53Å; F273-L277 HydrophobicContact CE1-CD2 4.47Å; F273-L277 HydrophobicContact CE1-CG 4.04Å; F273-L277 HydrophobicContact CZ-CD1 4.28Å; F273-L277 HydrophobicContact CZ-CD2 4.46Å; F273-L277 HydrophobicContact CZ-CG 4.4Å; F273-L277 PolarHBondContact O-N 2.69Å; F273-L277 VanDerWaalsContact O-N 3.09Å; Y274-L277 PolarHBondContact O-N 3.33Å |
| 278 | T | 94.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -89.6 | -12.6 | -170.3 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | F153 Y274 S280 L281 L286 | F153-T278 HydrophobicContact CE2-CG2 4.21Å; F153-T278 HydrophobicContact CZ-CG2 4.19Å; Y274-T278 HydrophobicContact CD2-CG2 4.14Å; Y274-T278 HydrophobicContact CE1-CG2 4.15Å; Y274-T278 HydrophobicContact CE2-CG2 3.7Å; Y274-T278 PolarHBondContact O-N 2.85Å; Y274-T278 PolarHBondContact O-OG1 2.97Å; T278-S280 PolarHBondContact O-N 3.18Å; T278-L281 PolarHBondContact O-N 3.29Å; T278-L286 HydrophobicContact CG2-CD1 3.83Å |
| 279 | R | 91.5 | Very high | 93.5 | Very high | 221 Ų | 221 | 61.4 Ų | 61.4 | 83% | 0.834 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -32.2 | -176.1 | 173.7 | 175.8 | -80.1 | -153.6 | -4.8 | 115.7 | D275 | D275-R279 VanDerWaalsContact O-CB 3.24Å; D275-R279 WeakPolarHBondContact O-CB 3.42Å; D275-R279 PolarHBondContact O-N 2.93Å |
| 280 | S | 86.4 | Confident | 93.4 | Very high | 70 Ų | 70 | 61.7 Ų | 61.7 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 8.9 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | K129 T278 | K129-S280 PolarHBondContact NZ-OG 3.09Å; T278-S280 PolarHBondContact O-N 3.18Å |
| 281 | L | 90.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -106.9 | 126.7 | -176.2 | -63.9 | 176.4 | 0 | 0 | 0 | 110.7 | S138 F139 T278 S283 L286 | S138-L281 WeakPolarHBondContact O-CD1 3.4Å; F139-L281 HydrophobicContact CB-CD1 4Å; F139-L281 HydrophobicContact CB-CD2 4.43Å; T278-L281 PolarHBondContact O-N 3.29Å; L281-S283 PolarHBondContact O-N 2.88Å; L281-L286 HydrophobicContact CB-CD1 4.37Å; L281-L286 HydrophobicContact CB-CD2 4.27Å; L281-L286 HydrophobicContact CB-CG 4.2Å; L281-L286 HydrophobicContact CD1-CD2 3.76Å |
| 282 | P | 92.1 | Very high | 93 | Very high | 82 Ų | 82 | 60 Ų | 60 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | trans | -59.4 | 132.3 | 172 | -23 | 33.7 | 0 | 0 | 0 | 111 | G284 Q285 L286 | P282-G284 PolarHBondContact O-N 3.31Å; P282-G284 VanDerWaalsContact O-N 3.13Å; P282-Q285 HydrophobicContact CB-CB 4.3Å; P282-Q285 WeakPolarHBondContact O-CB 3.31Å; P282-Q285 PolarHBondContact O-N 3.36Å; P282-L286 PolarHBondContact O-N 3.48Å | ||
| 283 | S | 88.8 | Confident | 92.5 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.3 | -29.8 | -179.7 | -45.7 | 0 | 0 | 0 | 0 | 112.8 | L281 R287 | L281-S283 PolarHBondContact O-N 2.88Å; S283-R287 WeakPolarHBondContact O-CB 3.39Å; S283-R287 PolarHBondContact O-N 2.84Å |
| 284 | G | 90.7 | Very high | 91.7 | Very high | 43 Ų | 43 | 62.1 Ų | 62.1 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P282 R287 L288 | P282-G284 PolarHBondContact O-N 3.31Å; P282-G284 VanDerWaalsContact O-N 3.13Å; G284-R287 PolarHBondContact O-N 2.87Å; G284-L288 WeakPolarHBondContact O-CB 3.49Å; G284-L288 WeakPolarHBondContact O-CG 3.26Å; G284-L288 PolarHBondContact O-N 3.36Å |
| 285 | Q | 91.7 | Very high | 90.4 | Very high | 48 Ų | 48 | 62.4 Ų | 62.4 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -47 | 175.9 | 173.6 | 162.7 | 43.6 | 0 | 0 | 111 | F139 P282 R287 L288 Q289 | F139-Q285 HydrophobicContact CD2-CG 4.32Å; F139-Q285 HydrophobicContact CE1-CG 4.46Å; F139-Q285 HydrophobicContact CE2-CG 3.76Å; F139-Q285 HydrophobicContact CZ-CG 3.85Å; P282-Q285 HydrophobicContact CB-CB 4.3Å; P282-Q285 WeakPolarHBondContact O-CB 3.31Å; P282-Q285 PolarHBondContact O-N 3.36Å; Q285-R287 VanDerWaalsContact C-N 3.3Å; Q285-R287 PolarHBondContact O-N 3.2Å; Q285-L288 PolarHBondContact O-N 2.78Å; Q285-Q289 VanDerWaalsContact NE2-OE1 3.14Å; Q285-Q289 PolarHBondContact O-N 3.43Å |
| 286 | L | 92.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 173.8 | -65.3 | 178.3 | 0 | 0 | 0 | 111.6 | F139 V246 T278 L281 P282 M290 R292 | F139-L286 HydrophobicContact CD2-CD2 4.07Å; V246-L286 HydrophobicContact CG1-CD1 4.45Å; V246-L286 HydrophobicContact CG1-CD2 4.13Å; T278-L286 HydrophobicContact CG2-CD1 3.83Å; L281-L286 HydrophobicContact CB-CD1 4.37Å; L281-L286 HydrophobicContact CB-CD2 4.27Å; L281-L286 HydrophobicContact CB-CG 4.2Å; L281-L286 HydrophobicContact CD1-CD2 3.76Å; P282-L286 PolarHBondContact O-N 3.48Å; L286-M290 WeakPolarHBondContact O-CB 3.45Å; L286-R292 PolarHBondContact O-NH2 3.14Å |
| 287 | R | 91.2 | Very high | 86 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 33% | 0.328 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | -179.8 | -168 | 170 | -178.8 | -117.3 | -2.1 | 112.8 | G247 D252 S283 G284 Q285 R292 | G247-R287 WeakPolarHBondContact O-CB 3.36Å; G247-R287 WeakPolarHBondContact O-CG 3.43Å; D252-R287 IonicContact OD1-NH2 3.55Å; D252-R287 IonicContact OD2-CZ 2.63Å; D252-R287 IonicContact OD2-NE 2.76Å; D252-R287 PolarHBondContact OD2-NE 3.15Å; D252-R287 IonicContact OD2-NH2 2.77Å; D252-R287 PolarHBondContact OD2-NH2 3.25Å; S283-R287 WeakPolarHBondContact O-CB 3.39Å; S283-R287 PolarHBondContact O-N 2.84Å; G284-R287 PolarHBondContact O-N 2.87Å; Q285-R287 VanDerWaalsContact C-N 3.3Å; Q285-R287 PolarHBondContact O-N 3.2Å; R287-R292 PolarHBondContact O-NH1 2.89Å; R287-R292 PolarHBondContact O-NH2 3.43Å |
| 288 | L | 92.1 | Very high | 85.5 | Confident | 139 Ų | 139 | 74.2 Ų | 74.2 | 73% | 0.728 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -95.1 | -31.7 | -168 | -63.1 | 174.2 | 0 | 0 | 0 | 114.8 | G284 Q285 | G284-L288 WeakPolarHBondContact O-CB 3.49Å; G284-L288 WeakPolarHBondContact O-CG 3.26Å; G284-L288 PolarHBondContact O-N 3.36Å; Q285-L288 PolarHBondContact O-N 2.78Å |
| 289 | Q | 94.2 | Very high | 85 | Confident | 86 Ų | 86 | 77 Ų | 77 | 40% | 0.402 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -115.3 | -12.9 | -169 | -63.2 | -178 | -33 | 0 | 0 | 114.2 | F139 E141 G142 Q285 D291 | F139-Q289 HydrophobicContact CE2-CB 4.23Å; F139-Q289 HydrophobicContact CZ-CB 3.63Å; E141-Q289 WeakPolarHBondContact CA-O 3.48Å; G142-Q289 PolarHBondContact N-O 2.75Å; Q285-Q289 VanDerWaalsContact NE2-OE1 3.14Å; Q285-Q289 PolarHBondContact O-N 3.43Å; Q289-D291 PolarHBondContact O-N 3.12Å |
| 290 | M | 94.4 | Very high | 84.7 | Confident | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.034 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 135.9 | 178.1 | -170.7 | 70.7 | -147.5 | 0 | 0 | 110.5 | F139 V140 F153 V246 L286 R292 | F139-M290 HydrophobicContact CD2-SD 3.58Å; F139-M290 VanDerWaalsContact CD2-SD 3.58Å; F139-M290 HydrophobicContact CE2-CB 4.04Å; F139-M290 HydrophobicContact CE2-SD 3.98Å; F139-M290 HydrophobicContact CG-SD 4.34Å; V140-M290 HydrophobicContact CB-CE 3.75Å; V140-M290 HydrophobicContact CG2-CE 4.09Å; V140-M290 CarbonylContact O-C 3.54Å; V140-M290 WeakPolarHBondContact O-CA 3.36Å; F153-M290 HydrophobicContact CB-CE 3.83Å; V246-M290 HydrophobicContact CB-CG 4.46Å; L286-M290 WeakPolarHBondContact O-CB 3.45Å; M290-R292 PolarHBondContact O-N 3.36Å; M290-R292 PolarHBondContact O-NH1 3.35Å |
| 291 | D | 94 | Very high | 84.6 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 5% | 0.048 | 38% | 0.38 | C | S | . | . | trans | -58.3 | 136.1 | 175.4 | -177.6 | 36.1 | 0 | 0 | 0 | 111.6 | V140 A147 R152 N244 Q289 S293 | V140-D291 HydrophobicContact CB-CB 4.45Å; V140-D291 HydrophobicContact CG1-CB 4.28Å; V140-D291 PolarHBondContact O-N 3.25Å; A147-D291 HydrophobicContact CB-CB 4.05Å; R152-D291 IonicContact CZ-OD2 2.89Å; R152-D291 IonicContact NH1-OD2 2.69Å; R152-D291 PolarHBondContact NH1-OD2 2.96Å; N244-D291 WeakPolarHBondContact CB-O 3.47Å; Q289-D291 PolarHBondContact O-N 3.12Å; D291-S293 VanDerWaalsContact CG-OG 3.32Å; D291-S293 WeakPolarHBondContact OD1-CB 3.45Å; D291-S293 PolarHBondContact OD1-N 3.18Å; D291-S293 PolarHBondContact OD1-OG 3.07Å; D291-S293 PolarHBondContact OD2-OG 3.07Å | ||
| 292 | R | 92.1 | Very high | 84.2 | Confident | 53 Ų | 53 | 72.4 Ų | 72.4 | 20% | 0.2 | 40% | 0.4 | C | S | . | . | trans | -134.3 | 18.8 | 177.4 | -60.9 | -170.8 | 173.7 | 80 | 3.1 | 112.2 | N244 V246 L286 R287 M290 L294 | N244-R292 HydrophobicContact CB-CG 4.43Å; N244-R292 WeakPolarHBondContact O-CG 3.44Å; V246-R292 PolarHBondContact O-NH2 3.43Å; L286-R292 PolarHBondContact O-NH2 3.14Å; R287-R292 PolarHBondContact O-NH1 2.89Å; R287-R292 PolarHBondContact O-NH2 3.43Å; M290-R292 PolarHBondContact O-N 3.36Å; M290-R292 PolarHBondContact O-NH1 3.35Å; R292-L294 PolarHBondContact O-N 2.86Å | ||
| 293 | S | 85.6 | Confident | 83.7 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 136.6 | 168.3 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | R152 D291 | R152-S293 PolarHBondContact NH1-OG 3.4Å; R152-S293 PolarHBondContact NH2-O 3.4Å; R152-S293 VanDerWaalsContact NH2-O 3.17Å; R152-S293 PolarHBondContact NH2-OG 3.17Å; R152-S293 VanDerWaalsContact NH2-OG 3.17Å; D291-S293 VanDerWaalsContact CG-OG 3.32Å; D291-S293 WeakPolarHBondContact OD1-CB 3.45Å; D291-S293 PolarHBondContact OD1-N 3.18Å; D291-S293 PolarHBondContact OD1-OG 3.07Å; D291-S293 PolarHBondContact OD2-OG 3.07Å |
| 294 | L | 80.9 | Confident | 83.3 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 56% | 0.555 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 146.5 | 162.6 | -70 | 171.9 | 0 | 0 | 0 | 108.2 | Q243 R292 F296 | Q243-L294 HydrophobicContact CB-CD2 3.77Å; Q243-L294 HydrophobicContact CG-CD2 4.34Å; R292-L294 PolarHBondContact O-N 2.86Å; L294-F296 PolarHBondContact O-N 3.01Å |
| 295 | P | 69.3 | Low | 82.8 | Confident | 28 Ų | 28 | 72 Ų | 72 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -60 | 140 | 170.9 | 29.7 | -35.8 | 0 | 0 | 0 | 109 | C104 I105 V297 | C104-P295 HydrophobicContact CB-CB 4.26Å; C104-P295 VanDerWaalsContact SG-CB 3.59Å; C104-P295 VanDerWaalsContact SG-CG 3.54Å; I105-P295 HydrophobicContact CG1-CG 4.39Å; P295-V297 PolarHBondContact O-N 2.83Å |
| 296 | F | 59.6 | Low | 82 | Confident | 150 Ų | 150 | 74 Ų | 74 | 66% | 0.658 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 137.9 | 173 | -60.3 | -80.8 | 0 | 0 | 0 | 109.4 | C104 L294 | C104-F296 PolarHBondContact SG-O 3.18Å; L294-F296 PolarHBondContact O-N 3.01Å |
| 297 | V | 38.8 | Very low | 81.1 | Confident | 178 Ų | 178 | 80.1 Ų | 80.1 | 100% | 1.079 | 41% | 0.407 | S | S | * | . | trans | -92.9 | 0 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | P295 | P295-V297 PolarHBondContact O-N 2.83Š|
Retrieved 297 of 297 residues in 52.3 ms
(Link to these results)