| 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 | 65.9 | Low | 90.4 | Very high | 142 Ų | 142 | 55.7 Ų | 55.7 | 70% | 0.7 | 28% | 0.283 | S | S | * | . | 0 | 134.7 | 0 | -178.4 | -176.5 | -75.3 | 0 | 0 | 108.9 | T59 V129 A133 | M1-T59 WeakPolarHBondContact O-CA 3.26Å; M1-T59 VanDerWaalsContact O-CB 3.3Å; M1-T59 WeakPolarHBondContact O-CB 3.35Å; M1-T59 WeakPolarHBondContact O-CG2 3.4Å; M1-V129 HydrophobicContact SD-CG1 4.5Å; M1-A133 HydrophobicContact CE-CB 3.76Å | |||
| 2 | K | 81.9 | Confident | 90.8 | Very high | 120 Ų | 120 | 51.6 Ų | 51.6 | 52% | 0.522 | 26% | 0.264 | S | S | . | . | trans | -114.8 | 140.5 | 172.2 | -82.8 | -169.7 | 167.5 | -141.4 | 0 | 109.9 | I57 V58 T59 | K2-I57 HydrophobicContact CB-CG2 4.08Å; K2-I57 HydrophobicContact CD-CG2 3.81Å; K2-I57 HydrophobicContact CG-CG2 4.25Å; K2-V58 CarbonylContact C-O 3.57Å; K2-V58 VanDerWaalsContact CA-O 3.31Å; K2-V58 WeakPolarHBondContact CA-O 3.41Å; K2-T59 HydrophobicContact CG-CG2 4Å | ||
| 3 | A | 85.4 | Confident | 91.1 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 162.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I57 V58 M127 | A3-I57 WeakPolarHBondContact O-CA 3.45Å; A3-V58 PolarHBondContact N-O 3.21Å; A3-V58 PolarHBondContact O-N 3.02Å; A3-M127 HydrophobicContact CB-CE 4.36Å; A3-M127 HydrophobicContact CB-CG 4.5Å |
| 4 | Q | 89.8 | Confident | 91.1 | Very high | 137 Ų | 137 | 55 Ų | 55 | 64% | 0.64 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 139.9 | 166.3 | -69.6 | 179.9 | -11.4 | 0 | 0 | 109.2 | T55 | Q4-T55 HydrophobicContact CB-CG2 4.1Å; Q4-T55 HydrophobicContact CG-CG2 4.4Å |
| 5 | L | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.8 | 173.4 | 179.7 | 72.4 | 0 | 0 | 0 | 108.4 | V7 T55 V56 V58 L64 I87 L98 L124 D125 M127 | L5-V7 HydrophobicContact CD2-CG2 4.07Å; L5-V7 HydrophobicContact CG-CG2 4.18Å; L5-T55 WeakPolarHBondContact O-CA 3.35Å; L5-V56 HydrophobicContact CB-CG2 4.39Å; L5-V56 PolarHBondContact N-O 2.69Å; L5-V56 PolarHBondContact O-N 2.65Å; L5-V58 HydrophobicContact CB-CG1 4.14Å; L5-V58 HydrophobicContact CB-CG2 3.67Å; L5-V58 HydrophobicContact CD2-CG1 4.21Å; L5-V58 HydrophobicContact CD2-CG2 4.25Å; L5-L64 HydrophobicContact CD2-CD1 4.2Å; L5-I87 HydrophobicContact CD2-CD1 4.05Å; L5-L98 HydrophobicContact CD1-CB 4.33Å; L5-L98 HydrophobicContact CD1-CD1 3.84Å; L5-L124 HydrophobicContact CD1-CB 4.43Å; L5-L124 HydrophobicContact CD2-CD2 4.26Å; L5-D125 WeakPolarHBondContact CD1-O 3.47Å; L5-M127 HydrophobicContact CD1-CB 3.67Å; L5-M127 HydrophobicContact CD1-SD 4.27Å |
| 6 | Q | 96.1 | Very high | 89.8 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.4 | 174.3 | -176.3 | 167.9 | -36.8 | 0 | 0 | 109.3 | A53 D125 | Q6-A53 HydrophobicContact CG-CB 4.05Å; Q6-D125 HydrophobicContact CB-CB 4.49Å; Q6-D125 PolarHBondContact N-O 3.2Å; Q6-D125 PolarHBondContact O-N 3.33Å |
| 7 | V | 96.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 100.5 | 178.3 | -178 | 0 | 0 | 0 | 0 | 108 | L5 V30 L54 V56 L64 F66 L124 | L5-V7 HydrophobicContact CD2-CG2 4.07Å; L5-V7 HydrophobicContact CG-CG2 4.18Å; V7-V30 HydrophobicContact CG1-CG1 4.39Å; V7-L54 PolarHBondContact N-O 3.19Å; V7-L54 PolarHBondContact O-N 2.8Å; V7-V56 HydrophobicContact CG2-CG2 3.65Å; V7-L64 HydrophobicContact CG2-CD1 3.78Å; V7-F66 HydrophobicContact CG1-CE1 3.72Å; V7-F66 HydrophobicContact CG1-CZ 3.85Å; V7-L124 HydrophobicContact CB-CD2 4.32Å; V7-L124 HydrophobicContact CG1-CD2 4.09Å; V7-L124 HydrophobicContact CG2-CD2 3.84Å |
| 8 | T | 96.8 | Very high | 86.1 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 110.6 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | L10 Q52 I122 C123 | T8-L10 HydrophobicContact CG2-CD2 4.01Å; T8-L10 PolarHBondContact O-N 3.34Å; T8-Q52 CarbonylContact C-O 3.55Å; T8-Q52 WeakPolarHBondContact CA-O 3.05Å; T8-I122 CarbonylContact O-C 3.55Å; T8-I122 VanDerWaalsContact O-CA 3.29Å; T8-I122 WeakPolarHBondContact O-CA 3.35Å; T8-C123 PolarHBondContact N-O 2.83Å; T8-C123 PolarHBondContact O-N 3.33Å |
| 9 | V | 96.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 109.5 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | V28 V30 T39 W50 K51 Q52 L54 L120 | V9-V28 HydrophobicContact CG1-CB 4.04Å; V9-V28 HydrophobicContact CG1-CG1 4.38Å; V9-V28 HydrophobicContact CG1-CG2 3.74Å; V9-V30 HydrophobicContact CG2-CG2 4.14Å; V9-T39 HydrophobicContact CB-CG2 3.85Å; V9-T39 HydrophobicContact CG1-CG2 4.12Å; V9-T39 HydrophobicContact CG2-CG2 3.81Å; V9-W50 HydrophobicContact CG1-CD2 4.29Å; V9-W50 HydrophobicContact CG1-CE3 3.65Å; V9-W50 HydrophobicContact CG1-CZ3 4.05Å; V9-K51 CarbonylContact O-C 3.58Å; V9-K51 VanDerWaalsContact O-CA 3.22Å; V9-K51 WeakPolarHBondContact O-CA 3.16Å; V9-K51 PolarHBondContact O-N 3.43Å; V9-Q52 PolarHBondContact N-O 3.19Å; V9-Q52 PolarHBondContact O-N 2.87Å; V9-Q52 VanDerWaalsContact O-N 3.1Å; V9-L54 HydrophobicContact CG2-CD1 4.15Å; V9-L120 HydrophobicContact CG1-CD1 4.16Å |
| 10 | L | 95.2 | Very high | 82.6 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -60.3 | -171.6 | -58 | 173.3 | 0 | 0 | 0 | 111 | T8 K49 W50 K51 V102 S121 C123 | T8-L10 HydrophobicContact CG2-CD2 4.01Å; T8-L10 PolarHBondContact O-N 3.34Å; L10-K49 CarbonylContact O-C 3.54Å; L10-K49 WeakPolarHBondContact O-CA 3.35Å; L10-W50 PolarHBondContact O-N 2.89Å; L10-K51 PolarHBondContact O-N 3.19Å; L10-V102 HydrophobicContact CD1-CG1 4.11Å; L10-V102 HydrophobicContact CD1-CG2 4.48Å; L10-S121 WeakPolarHBondContact CB-O 3.41Å; L10-S121 PolarHBondContact N-O 2.81Å; L10-C123 HydrophobicContact CD1-CB 4.21Å; L10-C123 HydrophobicContact CD2-CB 4.34Å; L10-C123 HydrophobicContact CG-CB 4.41Å |
| 11 | S | 96.3 | Very high | 81 | Confident | 34 Ų | 34 | 88.3 Ų | 88.3 | 24% | 0.238 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 158.3 | -172.5 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | P48 S121 | S11-P48 WeakPolarHBondContact CA-O 3.41Å; S11-P48 WeakPolarHBondContact CB-O 3.34Å; S11-S121 PolarHBondContact N-O 2.98Å; S11-S121 PolarHBondContact O-N 2.9Å |
| 12 | A | 95.7 | Very high | 80.7 | Confident | 6 Ų | 6 | 85.5 Ų | 85.5 | 5% | 0.05 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 161.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L14 S47 P48 W50 D119 L120 | A12-L14 HydrophobicContact CB-CD2 4.39Å; A12-S47 CarbonylContact O-C 3.57Å; A12-S47 WeakPolarHBondContact O-CA 3.3Å; A12-P48 HydrophobicContact CB-CG 3.87Å; A12-P48 PolarHBondContact N-O 2.9Å; A12-P48 VanDerWaalsContact N-O 3.08Å; A12-P48 WeakPolarHBondContact O-CD 3.31Å; A12-W50 HydrophobicContact CB-CH2 3.89Å; A12-W50 HydrophobicContact CB-CZ3 3.82Å; A12-D119 CarbonylContact C-O 3.44Å; A12-D119 WeakPolarHBondContact CA-O 3.2Å; A12-D119 WeakPolarHBondContact CB-O 3.39Å; A12-L120 HydrophobicContact CB-CD1 3.97Å |
| 13 | K | 94 | Very high | 80.2 | Confident | 136 Ų | 136 | 80.5 Ų | 80.5 | 59% | 0.591 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 98.8 | 170.9 | -174 | -171.8 | 177.3 | -169.1 | 0 | 108.3 | G118 D119 | K13-G118 CarbonylContact O-C 3.59Å; K13-G118 WeakPolarHBondContact O-CA 3.5Å; K13-D119 PolarHBondContact N-O 3.04Å; K13-D119 PolarHBondContact O-N 3.24Å |
| 14 | L | 91.9 | Very high | 80.3 | Confident | 15 Ų | 15 | 79.8 Ų | 79.8 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 148.4 | -176.9 | -55.5 | 177.1 | 0 | 0 | 0 | 110.8 | A12 E16 P24 P26 H46 V68 L80 L107 | A12-L14 HydrophobicContact CB-CD2 4.39Å; L14-E16 PolarHBondContact O-N 3.19Å; L14-P24 HydrophobicContact CD1-CG 3.9Å; L14-P26 HydrophobicContact CD1-CB 4.3Å; L14-P26 HydrophobicContact CD1-CG 4.47Å; L14-H46 HydrophobicContact CB-CB 4.37Å; L14-H46 PolarHBondContact N-O 3.38Å; L14-V68 HydrophobicContact CD1-CG1 4.48Å; L14-V68 HydrophobicContact CD2-CG1 4.47Å; L14-L80 HydrophobicContact CD1-CD1 3.63Å; L14-L107 HydrophobicContact CD2-CD1 3.67Å |
| 15 | K | 86.1 | Confident | 80.3 | Confident | 119 Ų | 119 | 74.6 Ų | 74.6 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -65 | 123.5 | 175.3 | -169.2 | 173.6 | -175.6 | 174.8 | 0 | 109.3 | N17 H46 D115 I116 V117 | K15-N17 PolarHBondContact O-N 2.87Å; K15-H46 PolarHBondContact O-CE1 3.05Å; K15-H46 PolarHBondContact O-ND1 3.48Å; K15-D115 IonicContact NZ-OD1 3.83Å; K15-D115 PolarHBondContact NZ-OD1 3.34Å; K15-I116 WeakPolarHBondContact CD-O 3.49Å; K15-I116 PolarHBondContact NZ-O 2.93Å; K15-V117 WeakPolarHBondContact CB-O 3.02Å; K15-V117 PolarHBondContact N-O 2.77Å |
| 16 | E | 74.3 | Confident | 80.4 | Confident | 148 Ų | 148 | 74.6 Ų | 74.6 | 69% | 0.692 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 121.3 | 177.4 | -69.9 | 176.2 | 172.4 | 0 | 0 | 110.2 | L14 H46 | L14-E16 PolarHBondContact O-N 3.19Å; E16-H46 HydrophobicContact CG-CB 4.27Å |
| 17 | N | 62 | Low | 80.4 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | trans | -92.5 | 104.6 | 174 | -178.5 | 5.6 | 0 | 0 | 0 | 109.5 | K15 K19 N20 | K15-N17 PolarHBondContact O-N 2.87Å; N17-K19 PolarHBondContact O-N 3.47Å; N17-K19 PolarHBondContact OD1-N 2.89Å; N17-N20 PolarHBondContact ND2-OD1 2.92Å; N17-N20 PolarHBondContact O-N 3.07Å | ||
| 18 | K | 51.6 | Low | 80.4 | Confident | 205 Ų | 205 | 71.8 Ų | 71.8 | 89% | 0.891 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 0.1 | -176.1 | -62.6 | -171.1 | 177 | -174.3 | 0 | 115.8 | ||
| 19 | K | 49.9 | Very low | 80.4 | Confident | 190 Ų | 190 | 71.1 Ų | 71.1 | 83% | 0.826 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -16.1 | 171.7 | -69.6 | -170.1 | 171.6 | -169.5 | 0 | 114.1 | N17 | N17-K19 PolarHBondContact O-N 3.47Å; N17-K19 PolarHBondContact OD1-N 2.89Å |
| 20 | N | 51.8 | Low | 80.4 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | trans | -104.4 | 124.8 | -176.6 | -67.2 | 33.9 | 0 | 0 | 0 | 109.5 | N17 F22 | N17-N20 PolarHBondContact ND2-OD1 2.92Å; N17-N20 PolarHBondContact O-N 3.07Å; N20-F22 VanDerWaalsContact C-N 3.29Å | ||
| 21 | W | 48.7 | Very low | 80.3 | Confident | 232 Ų | 232 | 69.5 Ų | 69.5 | 88% | 0.879 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74.3 | -21 | 178.4 | -168.7 | -95.1 | 0 | 0 | 0 | 113.2 | ||
| 22 | F | 60.2 | Low | 80.2 | Confident | 83 Ų | 83 | 68 Ų | 68 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -110.7 | 140.4 | 177.4 | -56 | -80.9 | 0 | 0 | 0 | 110.6 | N20 W656 | N20-F22 VanDerWaalsContact C-N 3.29Å; F22-W656 AromaticContact CE1-NE1 3.99Å; F22-W656 AromaticContact CE2-CE2 3.88Å; F22-W656 HydrophobicContact CE2-CH2 4.21Å; F22-W656 AromaticContact CE2-CZ2 3.43Å; F22-W656 HydrophobicContact CE2-CZ2 3.43Å; F22-W656 VanDerWaalsContact CE2-CZ2 3.43Å; F22-W656 AromaticContact CZ-CE2 3.58Å; F22-W656 AromaticContact CZ-CZ2 3.53Å; F22-W656 HydrophobicContact CZ-CZ2 3.53Å; F22-W656 AromaticContact CZ-NE1 3.35Å |
| 23 | G | 71.4 | Confident | 79.5 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | trans | -67.9 | 156.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N44 | G23-N44 WeakPolarHBondContact CA-OD1 3.44Å; G23-N44 PolarHBondContact N-OD1 2.99Å; G23-N44 PolarHBondContact O-OD1 3.36Å | ||
| 24 | P | 86.5 | Confident | 78.6 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | trans | -63.2 | 168.5 | 175.2 | 27.5 | -34 | 0 | 0 | 0 | 111.3 | L14 P26 N44 T45 S70 L80 | L14-P24 HydrophobicContact CD1-CG 3.9Å; P24-P26 WeakPolarHBondContact O-CD 3.44Å; P24-N44 CarbonylContact O-C 3.46Å; P24-N44 VanDerWaalsContact O-CA 3.27Å; P24-N44 WeakPolarHBondContact O-CA 3.3Å; P24-N44 PolarHBondContact O-N 3.03Å; P24-T45 PolarHBondContact O-N 2.89Å; P24-S70 WeakPolarHBondContact CB-OG 3.3Å; P24-L80 HydrophobicContact CB-CD1 3.56Å; P24-L80 HydrophobicContact CB-CD2 4.09Å; P24-L80 HydrophobicContact CB-CG 4.45Å; P24-L80 HydrophobicContact CG-CD1 3.81Å | ||
| 25 | S | 91.6 | Very high | 77.9 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | trans | -107.4 | 72.8 | 168.6 | -68.4 | 0 | 0 | 0 | 0 | 110.6 | C42 N44 S70 H71 | S25-C42 CarbonylContact C-O 3.55Å; S25-C42 WeakPolarHBondContact CA-O 3.28Å; S25-N44 PolarHBondContact OG-N 3.1Å; S25-S70 PolarHBondContact N-OG 2.98Å; S25-H71 PolarHBondContact O-N 3.35Å | ||
| 26 | P | 94.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 140.6 | -165.5 | 31.3 | -39.3 | 0 | 0 | 0 | 114.7 | L14 P24 C42 T45 P48 W50 V68 W69 L80 | L14-P26 HydrophobicContact CD1-CB 4.3Å; L14-P26 HydrophobicContact CD1-CG 4.47Å; P24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-C42 WeakPolarHBondContact CD-O 3.46Å; P26-C42 HydrophobicContact CG-CB 4.33Å; P26-C42 VanDerWaalsContact N-O 3.11Å; P26-C42 PolarHBondContact O-N 2.85Å; P26-T45 HydrophobicContact CG-CG2 4.39Å; P26-P48 HydrophobicContact CB-CG 4.29Å; P26-P48 HydrophobicContact CG-CB 3.66Å; P26-P48 HydrophobicContact CG-CG 3.56Å; P26-W50 HydrophobicContact CB-CZ2 4.04Å; P26-W50 HydrophobicContact CG-CZ2 4.25Å; P26-W50 WeakPolarHBondContact O-CZ2 3.4Å; P26-W50 PolarHBondContact O-NE1 2.92Å; P26-V68 HydrophobicContact CB-CG1 3.89Å; P26-W69 CarbonylContact C-O 3.54Å; P26-W69 WeakPolarHBondContact CA-O 3.27Å; P26-L80 HydrophobicContact CB-CD1 3.98Å |
| 27 | Y | 96.4 | Very high | 78.8 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 165.2 | 157.3 | 67.2 | -91.4 | 0 | 0 | 0 | 110.3 | R38 E40 V68 W69 H71 D77 | Y27-R38 HydrophobicContact CD2-CB 4.35Å; Y27-R38 HydrophobicContact CD2-CG 4.39Å; Y27-R38 HydrophobicContact CE2-CG 4.18Å; Y27-E40 WeakPolarHBondContact CB-O 3.43Å; Y27-V68 WeakPolarHBondContact O-CA 3.47Å; Y27-W69 HydrophobicContact CD1-CB 4.09Å; Y27-W69 WeakPolarHBondContact CD1-O 3.08Å; Y27-W69 HydrophobicContact CD2-CB 4.25Å; Y27-W69 HydrophobicContact CE1-CB 3.56Å; Y27-W69 HydrophobicContact CE1-CG 4.47Å; Y27-W69 HydrophobicContact CE2-CB 3.72Å; Y27-W69 AromaticContact CE2-CD1 3.72Å; Y27-W69 AromaticContact CE2-CG 3.94Å; Y27-W69 HydrophobicContact CE2-CG 3.94Å; Y27-W69 HydrophobicContact CG-CB 4.41Å; Y27-W69 AromaticContact CZ-CG 3.8Å; Y27-W69 PolarHBondContact N-O 3.37Å; Y27-W69 PolarHBondContact O-N 2.89Å; Y27-H71 HydrophobicContact CD1-CB 4.34Å; Y27-H71 HydrophobicContact CE1-CB 4.32Å; Y27-D77 VanDerWaalsContact CE1-OD2 3.3Å; Y27-D77 WeakPolarHBondContact CE1-OD2 3.37Å; Y27-D77 PolarHBondContact OH-OD2 3.46Å; Y27-D77 VanDerWaalsContact OH-OD2 3.07Å |
| 28 | V | 97.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.7 | 177.7 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | V9 V30 R38 T39 W50 F66 R67 V68 L120 | V9-V28 HydrophobicContact CG1-CB 4.04Å; V9-V28 HydrophobicContact CG1-CG1 4.38Å; V9-V28 HydrophobicContact CG1-CG2 3.74Å; V28-V30 HydrophobicContact CG1-CG2 4.37Å; V28-R38 CarbonylContact O-C 3.58Å; V28-R38 VanDerWaalsContact O-CA 3.3Å; V28-R38 WeakPolarHBondContact O-CA 3.46Å; V28-T39 HydrophobicContact CB-CG2 4.05Å; V28-T39 PolarHBondContact N-OG1 3.06Å; V28-T39 PolarHBondContact O-N 3.24Å; V28-W50 HydrophobicContact CG2-CD2 4.37Å; V28-W50 HydrophobicContact CG2-CE3 4.11Å; V28-W50 HydrophobicContact CG2-CH2 3.31Å; V28-W50 HydrophobicContact CG2-CZ2 3.63Å; V28-W50 HydrophobicContact CG2-CZ3 3.57Å; V28-F66 HydrophobicContact CG1-CB 4.49Å; V28-F66 HydrophobicContact CG1-CD1 4.18Å; V28-R67 CarbonylContact C-O 3.58Å; V28-R67 WeakPolarHBondContact CA-O 3.4Å; V28-V68 HydrophobicContact CG2-CG2 4.19Å; V28-L120 HydrophobicContact CG1-CD2 4.18Å; V28-L120 HydrophobicContact CG2-CD1 4.08Å |
| 29 | E | 96.9 | Very high | 82.4 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128 | 165.8 | 178.2 | 178.5 | -98.6 | 0 | 0 | 109.4 | K37 R38 F66 R67 W69 | E29-K37 CarbonylContact C-O 3.58Å; E29-K37 WeakPolarHBondContact CA-O 3.4Å; E29-R38 HydrophobicContact CB-CG 3.99Å; E29-R38 HydrophobicContact CG-CG 4.13Å; E29-R38 IonicContact OE1-CZ 3.48Å; E29-R38 VanDerWaalsContact OE1-CZ 3.24Å; E29-R38 IonicContact OE1-NE 2.98Å; E29-R38 PolarHBondContact OE1-NE 2.75Å; E29-R38 IonicContact OE1-NH2 3.48Å; E29-R38 PolarHBondContact OE1-NH2 2.91Å; E29-F66 CarbonylContact O-C 3.51Å; E29-F66 WeakPolarHBondContact O-CA 3.45Å; E29-R67 HydrophobicContact CB-CB 4.31Å; E29-R67 PolarHBondContact N-O 2.75Å; E29-R67 PolarHBondContact O-N 2.7Å; E29-R67 WeakPolarHBondContact OE2-CD 3.19Å; E29-R67 IonicContact OE2-CZ 2.62Å; E29-R67 IonicContact OE2-NH1 2.73Å; E29-R67 PolarHBondContact OE2-NH1 2.82Å; E29-W69 PolarHBondContact OE2-NE1 2.85Å |
| 30 | V | 96.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.9 | 173.9 | -172.3 | 0 | 0 | 0 | 0 | 107.6 | V7 V9 V28 S36 K37 L54 I65 F66 | V7-V30 HydrophobicContact CG1-CG1 4.39Å; V9-V30 HydrophobicContact CG2-CG2 4.14Å; V28-V30 HydrophobicContact CG1-CG2 4.37Å; V30-S36 CarbonylContact O-C 3.58Å; V30-S36 VanDerWaalsContact O-CA 3.29Å; V30-S36 WeakPolarHBondContact O-CA 3.28Å; V30-K37 PolarHBondContact N-O 2.84Å; V30-K37 PolarHBondContact O-N 3.23Å; V30-L54 HydrophobicContact CB-CD1 4.37Å; V30-L54 HydrophobicContact CG2-CD1 3.72Å; V30-I65 WeakPolarHBondContact CA-O 3.46Å; V30-F66 HydrophobicContact CB-CD1 4.42Å; V30-F66 HydrophobicContact CB-CE1 4.32Å; V30-F66 HydrophobicContact CG1-CD1 4.24Å; V30-F66 HydrophobicContact CG1-CE1 3.79Å; V30-F66 HydrophobicContact CG1-CZ 4.15Å; V30-F66 HydrophobicContact CG2-CD1 3.7Å; V30-F66 HydrophobicContact CG2-CE1 3.64Å |
| 31 | A | 93.6 | Very high | 86.2 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 12% | 0.116 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E35 I65 | A31-E35 CarbonylContact C-O 3.53Å; A31-E35 VanDerWaalsContact CA-O 3.27Å; A31-E35 WeakPolarHBondContact CA-O 3.33Å; A31-I65 HydrophobicContact CB-CB 4.5Å; A31-I65 PolarHBondContact N-O 3.22Å; A31-I65 PolarHBondContact O-N 2.96Å |
| 32 | V | 92.4 | Very high | 88 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 136.3 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | G34 E35 V56 V58 L64 | V32-G34 PolarHBondContact O-N 2.94Å; V32-E35 PolarHBondContact N-O 3.14Å; V32-E35 PolarHBondContact O-N 3.44Å; V32-V56 HydrophobicContact CG1-CB 3.86Å; V32-V56 HydrophobicContact CG1-CG1 4.19Å; V32-V56 HydrophobicContact CG1-CG2 4.29Å; V32-V58 HydrophobicContact CG1-CG1 4.36Å; V32-V58 HydrophobicContact CG2-CG1 4.22Å; V32-L64 HydrophobicContact CB-CD2 3.71Å; V32-L64 HydrophobicContact CG1-CD2 4Å; V32-L64 HydrophobicContact CG2-CD2 3.88Å |
| 33 | D | 82.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 23.8 | 173.2 | -57.6 | -7.6 | 0 | 0 | 0 | 116.2 | S62 | D33-S62 WeakPolarHBondContact OD1-CB 3.22Å; D33-S62 PolarHBondContact OD1-OG 3.04Å; D33-S62 WeakPolarHBondContact OD2-CB 3.41Å; D33-S62 PolarHBondContact OD2-OG 2.98Å |
| 34 | G | 73.9 | Confident | 89.8 | Confident | 85 Ų | 85 | 51.2 Ų | 51.2 | 88% | 0.876 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | -8.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V32 | V32-G34 PolarHBondContact O-N 2.94Š|
| 35 | E | 78.1 | Confident | 89.8 | Confident | 79 Ų | 79 | 52.3 Ų | 52.3 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 153.5 | 171.3 | -66.3 | 174.4 | -154.9 | 0 | 0 | 110.6 | A31 V32 | A31-E35 CarbonylContact C-O 3.53Å; A31-E35 VanDerWaalsContact CA-O 3.27Å; A31-E35 WeakPolarHBondContact CA-O 3.33Å; V32-E35 PolarHBondContact N-O 3.14Å; V32-E35 PolarHBondContact O-N 3.44Å |
| 36 | S | 90.1 | Very high | 89.7 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150 | 169.9 | 73 | 0 | 0 | 0 | 0 | 112.6 | V30 | V30-S36 CarbonylContact O-C 3.58Å; V30-S36 VanDerWaalsContact O-CA 3.29Å; V30-S36 WeakPolarHBondContact O-CA 3.28Å |
| 37 | K | 89.6 | Confident | 89.6 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.5 | 175.6 | -64.3 | -167.8 | 176 | -174.7 | 0 | 110.3 | E29 V30 L54 T55 V56 | E29-K37 CarbonylContact C-O 3.58Å; E29-K37 WeakPolarHBondContact CA-O 3.4Å; V30-K37 PolarHBondContact N-O 2.84Å; V30-K37 PolarHBondContact O-N 3.23Å; K37-L54 HydrophobicContact CB-CB 4.49Å; K37-L54 HydrophobicContact CB-CD1 4.33Å; K37-L54 HydrophobicContact CB-CD2 4.35Å; K37-T55 WeakPolarHBondContact CD-O 3.49Å; K37-T55 WeakPolarHBondContact CE-O 3.3Å; K37-T55 PolarHBondContact NZ-O 2.99Å; K37-V56 HydrophobicContact CD-CG1 4.39Å |
| 38 | R | 94.6 | Very high | 89.4 | Confident | 142 Ų | 142 | 54.9 Ų | 54.9 | 54% | 0.536 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.1 | -174.4 | -65.7 | 177.6 | 178.4 | 172.5 | 3.9 | 111.7 | Y27 V28 E29 | Y27-R38 HydrophobicContact CD2-CB 4.35Å; Y27-R38 HydrophobicContact CD2-CG 4.39Å; Y27-R38 HydrophobicContact CE2-CG 4.18Å; V28-R38 CarbonylContact O-C 3.58Å; V28-R38 VanDerWaalsContact O-CA 3.3Å; V28-R38 WeakPolarHBondContact O-CA 3.46Å; E29-R38 HydrophobicContact CB-CG 3.99Å; E29-R38 HydrophobicContact CG-CG 4.13Å; E29-R38 IonicContact OE1-CZ 3.48Å; E29-R38 VanDerWaalsContact OE1-CZ 3.24Å; E29-R38 IonicContact OE1-NE 2.98Å; E29-R38 PolarHBondContact OE1-NE 2.75Å; E29-R38 IonicContact OE1-NH2 3.48Å; E29-R38 PolarHBondContact OE1-NH2 2.91Å |
| 39 | T | 94.4 | Very high | 89.3 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 170.8 | 165.6 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | V9 V28 W50 Q52 L54 | V9-T39 HydrophobicContact CB-CG2 3.85Å; V9-T39 HydrophobicContact CG1-CG2 4.12Å; V9-T39 HydrophobicContact CG2-CG2 3.81Å; V28-T39 HydrophobicContact CB-CG2 4.05Å; V28-T39 PolarHBondContact N-OG1 3.06Å; V28-T39 PolarHBondContact O-N 3.24Å; T39-W50 HydrophobicContact CG2-CG 4.35Å; T39-W50 PolarHBondContact OG1-NE1 2.72Å; T39-Q52 HydrophobicContact CG2-CB 4.45Å; T39-L54 HydrophobicContact CG2-CD1 4.04Å |
| 40 | E | 89.1 | Confident | 89.1 | Confident | 140 Ų | 140 | 63.3 Ų | 63.3 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 162.2 | 162.4 | -62.8 | -177.8 | 172.2 | 0 | 0 | 111.8 | Y27 W50 | Y27-E40 WeakPolarHBondContact CB-O 3.43Å; E40-W50 PolarHBondContact O-NE1 2.86Å |
| 41 | K | 91.3 | Very high | 88.9 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 130.2 | 172.4 | 64.7 | -179.5 | 179.2 | -176.5 | 0 | 111.1 | H71 E649 | K41-H71 HydrophobicContact CD-CB 4.13Å; K41-H71 WeakPolarHBondContact CD-CD2 3.49Å; K41-H71 PolarHBondContact NZ-CD2 2.97Å; K41-H71 PolarHBondContact NZ-NE2 2.98Å; K41-H71 VanDerWaalsContact NZ-NE2 3.16Å; K41-E649 IonicContact NZ-OE1 3.74Å; K41-E649 IonicContact NZ-OE2 2.78Å; K41-E649 PolarHBondContact NZ-OE2 3.48Å |
| 42 | C | 86.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 134 | 158.1 | -76 | 0 | 0 | 0 | 0 | 107.7 | S25 P26 T45 P48 | S25-C42 CarbonylContact C-O 3.55Å; S25-C42 WeakPolarHBondContact CA-O 3.28Å; P26-C42 WeakPolarHBondContact CD-O 3.46Å; P26-C42 HydrophobicContact CG-CB 4.33Å; P26-C42 VanDerWaalsContact N-O 3.11Å; P26-C42 PolarHBondContact O-N 2.85Å; C42-T45 HydrophobicContact CB-CG2 3.77Å; C42-P48 HydrophobicContact CB-CB 3.63Å |
| 43 | N | 85.5 | Confident | 88.8 | Confident | 103 Ų | 103 | 75.3 Ų | 75.3 | 55% | 0.551 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 139.6 | -178.5 | -65.4 | -22 | 0 | 0 | 0 | 111.8 | T45 | N43-T45 PolarHBondContact O-N 2.88Š|
| 44 | N | 83.4 | Confident | 89.3 | Confident | 91 Ų | 91 | 72 Ų | 72 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 46.3 | 59.6 | 169.2 | -170.3 | 12.6 | 0 | 0 | 0 | 114.8 | G23 P24 S25 | G23-N44 WeakPolarHBondContact CA-OD1 3.44Å; G23-N44 PolarHBondContact N-OD1 2.99Å; G23-N44 PolarHBondContact O-OD1 3.36Å; P24-N44 CarbonylContact O-C 3.46Å; P24-N44 VanDerWaalsContact O-CA 3.27Å; P24-N44 WeakPolarHBondContact O-CA 3.3Å; P24-N44 PolarHBondContact O-N 3.03Å; S25-N44 PolarHBondContact OG-N 3.1Å |
| 45 | T | 87.4 | Confident | 90.2 | Very high | 40 Ų | 40 | 70.8 Ų | 70.8 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | trans | -153.7 | 133.5 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 114.5 | P24 P26 C42 N43 S47 P48 | P24-T45 PolarHBondContact O-N 2.89Å; P26-T45 HydrophobicContact CG-CG2 4.39Å; C42-T45 HydrophobicContact CB-CG2 3.77Å; N43-T45 PolarHBondContact O-N 2.88Å; T45-S47 VanDerWaalsContact C-N 3.32Å; T45-S47 PolarHBondContact OG1-N 3.41Å; T45-P48 HydrophobicContact CG2-CB 3.99Å | ||
| 46 | H | 89.4 | Confident | 90.9 | Very high | 35 Ų | 35 | 67.1 Ų | 67.1 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -81.8 | -6.9 | 165.8 | -74.8 | -84.4 | 0 | 0 | 0 | 113.3 | L14 K15 E16 P48 | L14-H46 HydrophobicContact CB-CB 4.37Å; L14-H46 PolarHBondContact N-O 3.38Å; K15-H46 PolarHBondContact O-CE1 3.05Å; K15-H46 PolarHBondContact O-ND1 3.48Å; E16-H46 HydrophobicContact CG-CB 4.27Å; H46-P48 VanDerWaalsContact C-CD 3.42Å |
| 47 | S | 91.9 | Very high | 90.9 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -128.6 | 60.9 | 179.7 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | A12 T45 | A12-S47 CarbonylContact O-C 3.57Å; A12-S47 WeakPolarHBondContact O-CA 3.3Å; T45-S47 VanDerWaalsContact C-N 3.32Å; T45-S47 PolarHBondContact OG1-N 3.41Å |
| 48 | P | 93.9 | Very high | 91 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | trans | -65.5 | 153.3 | -179.2 | 30.6 | -39.8 | 0 | 0 | 0 | 113.5 | S11 A12 P26 C42 T45 H46 W50 | S11-P48 WeakPolarHBondContact CA-O 3.41Å; S11-P48 WeakPolarHBondContact CB-O 3.34Å; A12-P48 HydrophobicContact CB-CG 3.87Å; A12-P48 PolarHBondContact N-O 2.9Å; A12-P48 VanDerWaalsContact N-O 3.08Å; A12-P48 WeakPolarHBondContact O-CD 3.31Å; P26-P48 HydrophobicContact CB-CG 4.29Å; P26-P48 HydrophobicContact CG-CB 3.66Å; P26-P48 HydrophobicContact CG-CG 3.56Å; C42-P48 HydrophobicContact CB-CB 3.63Å; T45-P48 HydrophobicContact CG2-CB 3.99Å; H46-P48 VanDerWaalsContact C-CD 3.42Å; P48-W50 HydrophobicContact CB-CD2 4.38Å; P48-W50 HydrophobicContact CB-CE3 4.39Å; P48-W50 HydrophobicContact CB-CH2 3.65Å; P48-W50 HydrophobicContact CB-CZ2 3.57Å; P48-W50 HydrophobicContact CB-CZ3 4.07Å; P48-W50 HydrophobicContact CG-CH2 3.23Å; P48-W50 HydrophobicContact CG-CZ2 3.63Å; P48-W50 HydrophobicContact CG-CZ3 3.75Å | ||
| 49 | K | 93.2 | Very high | 90.8 | Very high | 156 Ų | 156 | 57 Ų | 57 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 101 | -179.3 | -63.4 | 179.8 | -178.3 | 173.1 | 0 | 109.5 | L10 | L10-K49 CarbonylContact O-C 3.54Å; L10-K49 WeakPolarHBondContact O-CA 3.35Å |
| 50 | W | 94.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 11% | 0.114 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -44.5 | -177 | -57.3 | -88.2 | 0 | 0 | 0 | 112.6 | V9 L10 A12 P26 V28 T39 E40 P48 Q52 L120 | V9-W50 HydrophobicContact CG1-CD2 4.29Å; V9-W50 HydrophobicContact CG1-CE3 3.65Å; V9-W50 HydrophobicContact CG1-CZ3 4.05Å; L10-W50 PolarHBondContact O-N 2.89Å; A12-W50 HydrophobicContact CB-CH2 3.89Å; A12-W50 HydrophobicContact CB-CZ3 3.82Å; P26-W50 HydrophobicContact CB-CZ2 4.04Å; P26-W50 HydrophobicContact CG-CZ2 4.25Å; P26-W50 WeakPolarHBondContact O-CZ2 3.4Å; P26-W50 PolarHBondContact O-NE1 2.92Å; V28-W50 HydrophobicContact CG2-CD2 4.37Å; V28-W50 HydrophobicContact CG2-CE3 4.11Å; V28-W50 HydrophobicContact CG2-CH2 3.31Å; V28-W50 HydrophobicContact CG2-CZ2 3.63Å; V28-W50 HydrophobicContact CG2-CZ3 3.57Å; T39-W50 HydrophobicContact CG2-CG 4.35Å; T39-W50 PolarHBondContact OG1-NE1 2.72Å; E40-W50 PolarHBondContact O-NE1 2.86Å; P48-W50 HydrophobicContact CB-CD2 4.38Å; P48-W50 HydrophobicContact CB-CE3 4.39Å; P48-W50 HydrophobicContact CB-CH2 3.65Å; P48-W50 HydrophobicContact CB-CZ2 3.57Å; P48-W50 HydrophobicContact CB-CZ3 4.07Å; P48-W50 HydrophobicContact CG-CH2 3.23Å; P48-W50 HydrophobicContact CG-CZ2 3.63Å; P48-W50 HydrophobicContact CG-CZ3 3.75Å; W50-Q52 HydrophobicContact CB-CB 4.12Å; W50-Q52 PolarHBondContact O-N 2.71Å; W50-L120 HydrophobicContact CZ3-CD1 4.21Å |
| 51 | K | 92.3 | Very high | 90.6 | Very high | 167 Ų | 167 | 50.7 Ų | 50.7 | 73% | 0.726 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 29.6 | -168.7 | -56.8 | -175.7 | 177.1 | -174.4 | 0 | 113.7 | V9 L10 | V9-K51 CarbonylContact O-C 3.58Å; V9-K51 VanDerWaalsContact O-CA 3.22Å; V9-K51 WeakPolarHBondContact O-CA 3.16Å; V9-K51 PolarHBondContact O-N 3.43Å; L10-K51 PolarHBondContact O-N 3.19Å |
| 52 | Q | 91.9 | Very high | 90.7 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.3 | -170.3 | -171.4 | 172.2 | 9.5 | 0 | 0 | 111 | T8 V9 T39 W50 | T8-Q52 CarbonylContact C-O 3.55Å; T8-Q52 WeakPolarHBondContact CA-O 3.05Å; V9-Q52 PolarHBondContact N-O 3.19Å; V9-Q52 PolarHBondContact O-N 2.87Å; V9-Q52 VanDerWaalsContact O-N 3.1Å; T39-Q52 HydrophobicContact CG2-CB 4.45Å; W50-Q52 HydrophobicContact CB-CB 4.12Å; W50-Q52 PolarHBondContact O-N 2.71Å |
| 53 | A | 92.1 | Very high | 91.1 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 41% | 0.405 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q6 | Q6-A53 HydrophobicContact CG-CB 4.05Å |
| 54 | L | 92.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 107.7 | 175.3 | -59 | 177.3 | 0 | 0 | 0 | 109.3 | V7 V9 V30 K37 T39 V56 | V7-L54 PolarHBondContact N-O 3.19Å; V7-L54 PolarHBondContact O-N 2.8Å; V9-L54 HydrophobicContact CG2-CD1 4.15Å; V30-L54 HydrophobicContact CB-CD1 4.37Å; V30-L54 HydrophobicContact CG2-CD1 3.72Å; K37-L54 HydrophobicContact CB-CB 4.49Å; K37-L54 HydrophobicContact CB-CD1 4.33Å; K37-L54 HydrophobicContact CB-CD2 4.35Å; T39-L54 HydrophobicContact CG2-CD1 4.04Å; L54-V56 PolarHBondContact O-N 3.2Å |
| 55 | T | 93.9 | Very high | 92.1 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 37% | 0.368 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.9 | 175.4 | -43.1 | 0 | 0 | 0 | 0 | 110.1 | Q4 L5 K37 | Q4-T55 HydrophobicContact CB-CG2 4.1Å; Q4-T55 HydrophobicContact CG-CG2 4.4Å; L5-T55 WeakPolarHBondContact O-CA 3.35Å; K37-T55 WeakPolarHBondContact CD-O 3.49Å; K37-T55 WeakPolarHBondContact CE-O 3.3Å; K37-T55 PolarHBondContact NZ-O 2.99Å |
| 56 | V | 90.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 155.9 | 177.1 | -70.9 | 0 | 0 | 0 | 0 | 111 | L5 V7 V32 K37 L54 V58 L64 | L5-V56 HydrophobicContact CB-CG2 4.39Å; L5-V56 PolarHBondContact N-O 2.69Å; L5-V56 PolarHBondContact O-N 2.65Å; V7-V56 HydrophobicContact CG2-CG2 3.65Å; V32-V56 HydrophobicContact CG1-CB 3.86Å; V32-V56 HydrophobicContact CG1-CG1 4.19Å; V32-V56 HydrophobicContact CG1-CG2 4.29Å; K37-V56 HydrophobicContact CD-CG1 4.39Å; L54-V56 PolarHBondContact O-N 3.2Å; V56-V58 HydrophobicContact CB-CG1 4.45Å; V56-V58 HydrophobicContact CG2-CG1 3.81Å; V56-L64 HydrophobicContact CG2-CD2 4.25Å |
| 57 | I | 91.1 | Very high | 92.9 | Very high | 63 Ų | 63 | 44.6 Ų | 44.6 | 32% | 0.323 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.1 | 176.2 | -56.6 | 177.6 | 0 | 0 | 0 | 108.8 | K2 A3 | K2-I57 HydrophobicContact CB-CG2 4.08Å; K2-I57 HydrophobicContact CD-CG2 3.81Å; K2-I57 HydrophobicContact CG-CG2 4.25Å; A3-I57 WeakPolarHBondContact O-CA 3.45Å |
| 58 | V | 92 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 161.5 | -170.8 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | K2 A3 L5 V32 V56 L64 I87 M127 | K2-V58 CarbonylContact C-O 3.57Å; K2-V58 VanDerWaalsContact CA-O 3.31Å; K2-V58 WeakPolarHBondContact CA-O 3.41Å; A3-V58 PolarHBondContact N-O 3.21Å; A3-V58 PolarHBondContact O-N 3.02Å; L5-V58 HydrophobicContact CB-CG1 4.14Å; L5-V58 HydrophobicContact CB-CG2 3.67Å; L5-V58 HydrophobicContact CD2-CG1 4.21Å; L5-V58 HydrophobicContact CD2-CG2 4.25Å; V32-V58 HydrophobicContact CG1-CG1 4.36Å; V32-V58 HydrophobicContact CG2-CG1 4.22Å; V56-V58 HydrophobicContact CB-CG1 4.45Å; V56-V58 HydrophobicContact CG2-CG1 3.81Å; V58-L64 HydrophobicContact CG1-CD2 4.05Å; V58-I87 HydrophobicContact CB-CD1 3.64Å; V58-I87 HydrophobicContact CG1-CD1 3.65Å; V58-I87 HydrophobicContact CG2-CD1 4.05Å; V58-M127 HydrophobicContact CG2-CE 3.9Å; V58-M127 HydrophobicContact CG2-SD 3.7Å |
| 59 | T | 90.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | trans | -104.8 | 165.4 | 161.5 | 79.8 | 0 | 0 | 0 | 0 | 109.9 | M1 K2 V61 S62 | M1-T59 WeakPolarHBondContact O-CA 3.26Å; M1-T59 VanDerWaalsContact O-CB 3.3Å; M1-T59 WeakPolarHBondContact O-CB 3.35Å; M1-T59 WeakPolarHBondContact O-CG2 3.4Å; K2-T59 HydrophobicContact CG-CG2 4Å; T59-V61 PolarHBondContact O-N 3.19Å; T59-V61 WeakPolarHBondContact OG1-CG2 3.3Å; T59-V61 PolarHBondContact OG1-N 2.94Å; T59-S62 WeakPolarHBondContact CB-OG 3.46Å; T59-S62 PolarHBondContact N-OG 3.25Å; T59-S62 PolarHBondContact O-N 2.89Å; T59-S62 PolarHBondContact OG1-N 3.15Å; T59-S62 VanDerWaalsContact OG1-N 3.16Å; T59-S62 PolarHBondContact OG1-OG 2.77Å | ||
| 60 | P | 88.4 | Confident | 93 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -10.6 | 174.5 | -23.2 | 34.7 | 0 | 0 | 0 | 115.1 | G88 L91 M127 V129 F134 | P60-G88 WeakPolarHBondContact O-CA 3.35Å; P60-G88 PolarHBondContact O-N 3.46Å; P60-L91 HydrophobicContact CB-CD1 3.94Å; P60-M127 HydrophobicContact CB-CE 4.32Å; P60-M127 HydrophobicContact CG-CE 4.11Å; P60-V129 HydrophobicContact CB-CG1 4.16Å; P60-V129 HydrophobicContact CB-CG2 4.09Å; P60-V129 HydrophobicContact CG-CB 4.48Å; P60-V129 HydrophobicContact CG-CG1 3.72Å; P60-V129 HydrophobicContact CG-CG2 3.88Å; P60-F134 HydrophobicContact CB-CD2 3.72Å; P60-F134 HydrophobicContact CB-CE2 3.96Å |
| 61 | V | 90.1 | Very high | 92.7 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 20.6 | -175.4 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | T59 A137 E138 Q141 | T59-V61 PolarHBondContact O-N 3.19Å; T59-V61 WeakPolarHBondContact OG1-CG2 3.3Å; T59-V61 PolarHBondContact OG1-N 2.94Å; V61-A137 HydrophobicContact CG1-CB 4.26Å; V61-A137 HydrophobicContact CG2-CB 4.24Å; V61-E138 HydrophobicContact CG1-CG 4.08Å; V61-Q141 HydrophobicContact CG2-CG 4.19Å; V61-Q141 PolarHBondContact O-NE2 2.8Å |
| 62 | S | 92.8 | Very high | 92 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | trans | -83.8 | 159.8 | 173.3 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | D33 T59 I87 | D33-S62 WeakPolarHBondContact OD1-CB 3.22Å; D33-S62 PolarHBondContact OD1-OG 3.04Å; D33-S62 WeakPolarHBondContact OD2-CB 3.41Å; D33-S62 PolarHBondContact OD2-OG 2.98Å; T59-S62 WeakPolarHBondContact CB-OG 3.46Å; T59-S62 PolarHBondContact N-OG 3.25Å; T59-S62 PolarHBondContact O-N 2.89Å; T59-S62 PolarHBondContact OG1-N 3.15Å; T59-S62 VanDerWaalsContact OG1-N 3.16Å; T59-S62 PolarHBondContact OG1-OG 2.77Å; S62-I87 WeakPolarHBondContact O-CB 3.4Å; S62-I87 WeakPolarHBondContact O-CG1 3.34Å; S62-I87 PolarHBondContact O-N 3.31Å; S62-I87 VanDerWaalsContact O-N 3.14Å | ||
| 63 | K | 94.6 | Very high | 90.7 | Very high | 106 Ų | 106 | 33.9 Ų | 33.9 | 46% | 0.461 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.2 | 178.8 | -57.2 | -168.4 | -174.7 | -144.2 | 0 | 110.4 | T84 L85 D86 | K63-T84 HydrophobicContact CB-CG2 4.17Å; K63-L85 CarbonylContact C-O 3.56Å; K63-L85 WeakPolarHBondContact CA-O 3.36Å; K63-D86 WeakPolarHBondContact CE-OD2 3.39Å; K63-D86 IonicContact NZ-OD2 2.68Å; K63-D86 PolarHBondContact NZ-OD2 3.43Å |
| 64 | L | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.7 | 172.8 | -57.7 | -173.7 | 0 | 0 | 0 | 108.7 | L5 V7 V32 V56 V58 F66 T84 L85 I87 L124 | L5-L64 HydrophobicContact CD2-CD1 4.2Å; V7-L64 HydrophobicContact CG2-CD1 3.78Å; V32-L64 HydrophobicContact CB-CD2 3.71Å; V32-L64 HydrophobicContact CG1-CD2 4Å; V32-L64 HydrophobicContact CG2-CD2 3.88Å; V56-L64 HydrophobicContact CG2-CD2 4.25Å; V58-L64 HydrophobicContact CG1-CD2 4.05Å; L64-F66 HydrophobicContact CB-CD2 4.27Å; L64-F66 HydrophobicContact CB-CE2 3.48Å; L64-F66 VanDerWaalsContact CB-CE2 3.48Å; L64-F66 HydrophobicContact CB-CZ 3.92Å; L64-F66 HydrophobicContact CD1-CE2 4.1Å; L64-F66 HydrophobicContact CD1-CZ 3.79Å; L64-F66 HydrophobicContact CG-CE2 4.45Å; L64-T84 CarbonylContact O-C 3.54Å; L64-T84 VanDerWaalsContact O-CA 3.3Å; L64-T84 WeakPolarHBondContact O-CA 3.22Å; L64-L85 HydrophobicContact CD1-CD2 4.13Å; L64-L85 HydrophobicContact CG-CD2 4.32Å; L64-L85 PolarHBondContact N-O 2.78Å; L64-L85 PolarHBondContact O-N 3.05Å; L64-I87 HydrophobicContact CD2-CD1 3.95Å; L64-I87 HydrophobicContact CG-CD1 3.97Å; L64-I87 HydrophobicContact CG-CG1 4.11Å; L64-L124 HydrophobicContact CD1-CD2 4.14Å |
| 65 | I | 96.1 | Very high | 87.5 | Confident | 53 Ų | 53 | 39 Ų | 39 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124 | 171.6 | -57.2 | 175.5 | 0 | 0 | 0 | 107.7 | V30 A31 R67 M82 T84 | V30-I65 WeakPolarHBondContact CA-O 3.46Å; A31-I65 HydrophobicContact CB-CB 4.5Å; A31-I65 PolarHBondContact N-O 3.22Å; A31-I65 PolarHBondContact O-N 2.96Å; I65-R67 HydrophobicContact CG2-CG 4.41Å; I65-M82 HydrophobicContact CG2-CG 3.97Å; I65-M82 HydrophobicContact CG2-SD 3.69Å; I65-T84 HydrophobicContact CG1-CG2 4.43Å |
| 66 | F | 96.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.1 | 177.4 | -64.2 | -93.3 | 0 | 0 | 0 | 109 | V7 V28 E29 V30 L64 M82 A83 L85 L105 L120 I122 | V7-F66 HydrophobicContact CG1-CE1 3.72Å; V7-F66 HydrophobicContact CG1-CZ 3.85Å; V28-F66 HydrophobicContact CG1-CB 4.49Å; V28-F66 HydrophobicContact CG1-CD1 4.18Å; E29-F66 CarbonylContact O-C 3.51Å; E29-F66 WeakPolarHBondContact O-CA 3.45Å; V30-F66 HydrophobicContact CB-CD1 4.42Å; V30-F66 HydrophobicContact CB-CE1 4.32Å; V30-F66 HydrophobicContact CG1-CD1 4.24Å; V30-F66 HydrophobicContact CG1-CE1 3.79Å; V30-F66 HydrophobicContact CG1-CZ 4.15Å; V30-F66 HydrophobicContact CG2-CD1 3.7Å; V30-F66 HydrophobicContact CG2-CE1 3.64Å; L64-F66 HydrophobicContact CB-CD2 4.27Å; L64-F66 HydrophobicContact CB-CE2 3.48Å; L64-F66 VanDerWaalsContact CB-CE2 3.48Å; L64-F66 HydrophobicContact CB-CZ 3.92Å; L64-F66 HydrophobicContact CD1-CE2 4.1Å; L64-F66 HydrophobicContact CD1-CZ 3.79Å; L64-F66 HydrophobicContact CG-CE2 4.45Å; F66-M82 CarbonylContact O-C 3.54Å; F66-M82 WeakPolarHBondContact O-CA 3.06Å; F66-M82 WeakPolarHBondContact O-CG 3.43Å; F66-A83 HydrophobicContact CB-CB 4.43Å; F66-A83 PolarHBondContact N-O 3.36Å; F66-A83 PolarHBondContact O-N 2.92Å; F66-L85 HydrophobicContact CE2-CB 4.2Å; F66-L105 HydrophobicContact CD2-CD1 3.57Å; F66-L105 HydrophobicContact CE2-CD1 3.67Å; F66-L105 HydrophobicContact CG-CD1 4.33Å; F66-L105 HydrophobicContact CZ-CD1 4.5Å; F66-L120 HydrophobicContact CB-CD2 3.57Å; F66-L120 HydrophobicContact CD1-CD2 3.74Å; F66-L120 HydrophobicContact CG-CD2 3.77Å; F66-I122 HydrophobicContact CD1-CG2 4.37Å; F66-I122 HydrophobicContact CE1-CD1 4.06Å; F66-I122 HydrophobicContact CE1-CG2 3.87Å; F66-I122 HydrophobicContact CE2-CD1 3.87Å; F66-I122 HydrophobicContact CZ-CD1 3.39Å; F66-I122 HydrophobicContact CZ-CG2 4.28Å |
| 67 | R | 96.1 | Very high | 86.1 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.8 | 172 | -61.1 | -171.8 | -167.1 | 99.7 | 3.7 | 109.7 | V28 E29 I65 L79 M82 | V28-R67 CarbonylContact C-O 3.58Å; V28-R67 WeakPolarHBondContact CA-O 3.4Å; E29-R67 HydrophobicContact CB-CB 4.31Å; E29-R67 PolarHBondContact N-O 2.75Å; E29-R67 PolarHBondContact O-N 2.7Å; E29-R67 WeakPolarHBondContact OE2-CD 3.19Å; E29-R67 IonicContact OE2-CZ 2.62Å; E29-R67 IonicContact OE2-NH1 2.73Å; E29-R67 PolarHBondContact OE2-NH1 2.82Å; I65-R67 HydrophobicContact CG2-CG 4.41Å; R67-L79 HydrophobicContact CB-CD1 3.77Å; R67-L79 HydrophobicContact CG-CD1 4.23Å; R67-M82 HydrophobicContact CG-CB 4.45Å; R67-M82 HydrophobicContact CG-CG 4.07Å; R67-M82 HydrophobicContact CG-SD 4.06Å |
| 68 | V | 95.8 | Very high | 86 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.2 | 173.7 | -168.8 | 0 | 0 | 0 | 0 | 108.1 | L14 P26 Y27 V28 L80 G81 L107 | L14-V68 HydrophobicContact CD1-CG1 4.48Å; L14-V68 HydrophobicContact CD2-CG1 4.47Å; P26-V68 HydrophobicContact CB-CG1 3.89Å; Y27-V68 WeakPolarHBondContact O-CA 3.47Å; V28-V68 HydrophobicContact CG2-CG2 4.19Å; V68-L80 HydrophobicContact CB-CB 4.5Å; V68-L80 HydrophobicContact CG1-CD1 4.24Å; V68-L80 WeakPolarHBondContact O-CA 3.28Å; V68-L80 WeakPolarHBondContact O-CB 3.16Å; V68-L80 PolarHBondContact O-N 2.94Å; V68-G81 PolarHBondContact N-O 3.43Å; V68-G81 PolarHBondContact O-N 2.69Å; V68-L107 HydrophobicContact CG2-CD1 3.8Å; V68-L107 HydrophobicContact CG2-CD2 3.74Å; V68-L107 HydrophobicContact CG2-CG 4.45Å |
| 69 | W | 94.6 | Very high | 86 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.4 | -174.9 | -69.1 | 97.1 | 0 | 0 | 0 | 109.7 | P26 Y27 E29 D77 I78 L79 | P26-W69 CarbonylContact C-O 3.54Å; P26-W69 WeakPolarHBondContact CA-O 3.27Å; Y27-W69 HydrophobicContact CD1-CB 4.09Å; Y27-W69 WeakPolarHBondContact CD1-O 3.08Å; Y27-W69 HydrophobicContact CD2-CB 4.25Å; Y27-W69 HydrophobicContact CE1-CB 3.56Å; Y27-W69 HydrophobicContact CE1-CG 4.47Å; Y27-W69 HydrophobicContact CE2-CB 3.72Å; Y27-W69 AromaticContact CE2-CD1 3.72Å; Y27-W69 AromaticContact CE2-CG 3.94Å; Y27-W69 HydrophobicContact CE2-CG 3.94Å; Y27-W69 HydrophobicContact CG-CB 4.41Å; Y27-W69 AromaticContact CZ-CG 3.8Å; Y27-W69 PolarHBondContact N-O 3.37Å; Y27-W69 PolarHBondContact O-N 2.89Å; E29-W69 PolarHBondContact OE2-NE1 2.85Å; W69-D77 HydrophobicContact CE3-CB 4.29Å; W69-I78 CarbonylContact C-O 3.58Å; W69-I78 WeakPolarHBondContact CA-O 3.24Å; W69-L79 HydrophobicContact CD2-CB 4.41Å; W69-L79 HydrophobicContact CD2-CD1 4.05Å; W69-L79 HydrophobicContact CE3-CB 3.92Å; W69-L79 HydrophobicContact CE3-CD1 4.41Å; W69-L79 HydrophobicContact CG-CD1 4.5Å; W69-L79 HydrophobicContact CH2-CB 4.13Å; W69-L79 HydrophobicContact CH2-CD1 4.49Å; W69-L79 HydrophobicContact CZ2-CD1 4.15Å; W69-L79 HydrophobicContact CZ3-CB 3.77Å |
| 70 | S | 91.3 | Very high | 86 | Confident | 8 Ų | 8 | 46 Ų | 46 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 121.6 | 165.3 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | P24 S25 D77 I78 | P24-S70 WeakPolarHBondContact CB-OG 3.3Å; S25-S70 PolarHBondContact N-OG 2.98Å; S70-D77 WeakPolarHBondContact O-CA 3.29Å; S70-D77 WeakPolarHBondContact O-CB 3.42Å; S70-I78 PolarHBondContact N-O 3.04Å; S70-I78 PolarHBondContact O-N 3.17Å |
| 71 | H | 86.6 | Confident | 86.2 | Confident | 50 Ų | 50 | 46 Ų | 46 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | trans | -66.5 | 144.6 | 171.5 | 178.7 | 53.8 | 0 | 0 | 0 | 112.1 | S25 Y27 K41 D77 | S25-H71 PolarHBondContact O-N 3.35Å; Y27-H71 HydrophobicContact CD1-CB 4.34Å; Y27-H71 HydrophobicContact CE1-CB 4.32Å; K41-H71 HydrophobicContact CD-CB 4.13Å; K41-H71 WeakPolarHBondContact CD-CD2 3.49Å; K41-H71 PolarHBondContact NZ-CD2 2.97Å; K41-H71 PolarHBondContact NZ-NE2 2.98Å; K41-H71 VanDerWaalsContact NZ-NE2 3.16Å; H71-D77 WeakPolarHBondContact CA-OD1 3.47Å; H71-D77 IonicContact CE1-OD1 2.67Å; H71-D77 IonicContact CG-OD1 3.3Å; H71-D77 IonicContact ND1-OD1 3.83Å; H71-D77 PolarHBondContact ND1-OD1 3.41Å; H71-D77 IonicContact ND1-OD2 3.1Å | ||
| 72 | Q | 78.9 | Confident | 86.4 | Confident | 73 Ų | 73 | 46.8 Ų | 46.8 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | trans | -128 | 141.5 | 175.8 | -68.3 | -67.5 | -4.4 | 0 | 0 | 110.8 | K75 D77 I78 | Q72-K75 HydrophobicContact CB-CB 4.49Å; Q72-K75 VanDerWaalsContact CB-O 3.24Å; Q72-K75 WeakPolarHBondContact CB-O 3.44Å; Q72-D77 PolarHBondContact N-OD1 2.96Å; Q72-I78 HydrophobicContact CG-CD1 4.36Å; Q72-I78 HydrophobicContact CG-CG1 4.15Å | ||
| 73 | T | 64.2 | Low | 86.5 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -92.9 | -20.1 | -177 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | S653 | T73-S653 PolarHBondContact OG1-OG 2.84Å; T73-S653 VanDerWaalsContact OG1-OG 3.07Å |
| 74 | L | 48.9 | Very low | 86.5 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -124.6 | -0.1 | -175.2 | -60.8 | 178.5 | 0 | 0 | 0 | 113.9 | F650 I657 | L74-F650 HydrophobicContact CD2-CD2 3.88Å; L74-F650 HydrophobicContact CD2-CE2 3.39Å; L74-F650 HydrophobicContact CD2-CZ 3.85Å; L74-I657 HydrophobicContact CD1-CD1 3.73Å |
| 75 | K | 68.1 | Low | 86.5 | Confident | 119 Ų | 119 | 46 Ų | 46 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -149.3 | 173 | -177.3 | -64.8 | -169.2 | -179.9 | -174.7 | 0 | 109.3 | Q72 E668 | Q72-K75 HydrophobicContact CB-CB 4.49Å; Q72-K75 VanDerWaalsContact CB-O 3.24Å; Q72-K75 WeakPolarHBondContact CB-O 3.44Å; K75-E668 PolarHBondContact NZ-O 3.14Å |
| 76 | A | 69.8 | Low | 86.4 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 69% | 0.694 | 24% | 0.24 | S | C | * | . | trans | -64.1 | 149.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 77 | D | 86.4 | Confident | 86.3 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | trans | -63.3 | 145.3 | 179 | -69.6 | -9 | 0 | 0 | 0 | 112.6 | Y27 W69 S70 H71 Q72 | Y27-D77 VanDerWaalsContact CE1-OD2 3.3Å; Y27-D77 WeakPolarHBondContact CE1-OD2 3.37Å; Y27-D77 PolarHBondContact OH-OD2 3.46Å; Y27-D77 VanDerWaalsContact OH-OD2 3.07Å; W69-D77 HydrophobicContact CE3-CB 4.29Å; S70-D77 WeakPolarHBondContact O-CA 3.29Å; S70-D77 WeakPolarHBondContact O-CB 3.42Å; H71-D77 WeakPolarHBondContact CA-OD1 3.47Å; H71-D77 IonicContact CE1-OD1 2.67Å; H71-D77 IonicContact CG-OD1 3.3Å; H71-D77 IonicContact ND1-OD1 3.83Å; H71-D77 PolarHBondContact ND1-OD1 3.41Å; H71-D77 IonicContact ND1-OD2 3.1Å; Q72-D77 PolarHBondContact N-OD1 2.96Å | ||
| 78 | I | 88.8 | Confident | 86.1 | Confident | 91 Ų | 91 | 42.3 Ų | 42.3 | 47% | 0.467 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.3 | -172.9 | -56.7 | -179.4 | 0 | 0 | 0 | 110.7 | W69 S70 Q72 L80 | W69-I78 CarbonylContact C-O 3.58Å; W69-I78 WeakPolarHBondContact CA-O 3.24Å; S70-I78 PolarHBondContact N-O 3.04Å; S70-I78 PolarHBondContact O-N 3.17Å; Q72-I78 HydrophobicContact CG-CD1 4.36Å; Q72-I78 HydrophobicContact CG-CG1 4.15Å; I78-L80 PolarHBondContact O-N 3.39Å |
| 79 | L | 91.2 | Very high | 86 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 117.7 | 173.8 | -176.4 | 66.2 | 0 | 0 | 0 | 110.6 | R67 W69 D110 | R67-L79 HydrophobicContact CB-CD1 3.77Å; R67-L79 HydrophobicContact CG-CD1 4.23Å; W69-L79 HydrophobicContact CD2-CB 4.41Å; W69-L79 HydrophobicContact CD2-CD1 4.05Å; W69-L79 HydrophobicContact CE3-CB 3.92Å; W69-L79 HydrophobicContact CE3-CD1 4.41Å; W69-L79 HydrophobicContact CG-CD1 4.5Å; W69-L79 HydrophobicContact CH2-CB 4.13Å; W69-L79 HydrophobicContact CH2-CD1 4.49Å; W69-L79 HydrophobicContact CZ2-CD1 4.15Å; W69-L79 HydrophobicContact CZ3-CB 3.77Å; L79-D110 HydrophobicContact CD2-CB 3.88Å |
| 80 | L | 90.9 | Very high | 85.9 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -25.2 | 179.4 | -58.9 | 176 | 0 | 0 | 0 | 113.1 | L14 P24 P26 V68 I78 V117 | L14-L80 HydrophobicContact CD1-CD1 3.63Å; P24-L80 HydrophobicContact CB-CD1 3.56Å; P24-L80 HydrophobicContact CB-CD2 4.09Å; P24-L80 HydrophobicContact CB-CG 4.45Å; P24-L80 HydrophobicContact CG-CD1 3.81Å; P26-L80 HydrophobicContact CB-CD1 3.98Å; V68-L80 HydrophobicContact CB-CB 4.5Å; V68-L80 HydrophobicContact CG1-CD1 4.24Å; V68-L80 WeakPolarHBondContact O-CA 3.28Å; V68-L80 WeakPolarHBondContact O-CB 3.16Å; V68-L80 PolarHBondContact O-N 2.94Å; I78-L80 PolarHBondContact O-N 3.39Å; L80-V117 VanDerWaalsContact O-CG2 3.28Å; L80-V117 WeakPolarHBondContact O-CG2 3.26Å |
| 81 | G | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | 161.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V68 C108 | V68-G81 PolarHBondContact N-O 3.43Å; V68-G81 PolarHBondContact O-N 2.69Å; G81-C108 CarbonylContact C-O 3.41Å; G81-C108 WeakPolarHBondContact CA-O 3.13Å |
| 82 | M | 94.4 | Very high | 86.2 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 16% | 0.163 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.6 | -179.4 | -178.5 | 168.4 | 60.2 | 0 | 0 | 111.1 | I65 F66 R67 L107 C108 D110 | I65-M82 HydrophobicContact CG2-CG 3.97Å; I65-M82 HydrophobicContact CG2-SD 3.69Å; F66-M82 CarbonylContact O-C 3.54Å; F66-M82 WeakPolarHBondContact O-CA 3.06Å; F66-M82 WeakPolarHBondContact O-CG 3.43Å; R67-M82 HydrophobicContact CG-CB 4.45Å; R67-M82 HydrophobicContact CG-CG 4.07Å; R67-M82 HydrophobicContact CG-SD 4.06Å; M82-L107 CarbonylContact O-C 3.52Å; M82-L107 WeakPolarHBondContact O-CA 3.5Å; M82-C108 PolarHBondContact N-O 2.75Å; M82-C108 PolarHBondContact O-N 3.33Å; M82-C108 PolarHBondContact O-SG 3.06Å; M82-D110 HydrophobicContact CE-CB 4.45Å; M82-D110 VanDerWaalsContact CE-OD1 3.26Å; M82-D110 WeakPolarHBondContact CE-OD1 3.37Å |
| 83 | A | 94.9 | Very high | 86.8 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 160.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F66 L105 Q106 L107 | F66-A83 HydrophobicContact CB-CB 4.43Å; F66-A83 PolarHBondContact N-O 3.36Å; F66-A83 PolarHBondContact O-N 2.92Å; A83-L105 HydrophobicContact CB-CB 3.82Å; A83-L105 HydrophobicContact CB-CD1 4.17Å; A83-Q106 WeakPolarHBondContact CB-O 3.32Å; A83-L107 HydrophobicContact CB-CD2 3.96Å |
| 84 | T | 94.6 | Very high | 88.2 | Confident | 80 Ų | 80 | 46.2 Ų | 46.2 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.4 | 173 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | K63 L64 I65 | K63-T84 HydrophobicContact CB-CG2 4.17Å; L64-T84 CarbonylContact O-C 3.54Å; L64-T84 VanDerWaalsContact O-CA 3.3Å; L64-T84 WeakPolarHBondContact O-CA 3.22Å; I65-T84 HydrophobicContact CG1-CG2 4.43Å |
| 85 | L | 95.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.7 | 175 | 173.8 | 144.1 | 0 | 0 | 0 | 110.2 | K63 L64 F66 I87 V90 Q103 L105 I122 L124 | K63-L85 CarbonylContact C-O 3.56Å; K63-L85 WeakPolarHBondContact CA-O 3.36Å; L64-L85 HydrophobicContact CD1-CD2 4.13Å; L64-L85 HydrophobicContact CG-CD2 4.32Å; L64-L85 PolarHBondContact N-O 2.78Å; L64-L85 PolarHBondContact O-N 3.05Å; F66-L85 HydrophobicContact CE2-CB 4.2Å; L85-I87 HydrophobicContact CD2-CG1 4.04Å; L85-V90 HydrophobicContact CD1-CG2 3.81Å; L85-V90 HydrophobicContact CD2-CG2 4.03Å; L85-V90 HydrophobicContact CG-CG2 3.89Å; L85-Q103 HydrophobicContact CD1-CB 4.24Å; L85-Q103 HydrophobicContact CD1-CG 4.12Å; L85-L105 HydrophobicContact CB-CD1 4.07Å; L85-L105 HydrophobicContact CB-CD2 4.21Å; L85-L105 HydrophobicContact CD1-CD1 4.45Å; L85-L105 HydrophobicContact CD1-CD2 3.87Å; L85-I122 HydrophobicContact CD1-CD1 4.2Å; L85-L124 HydrophobicContact CD1-CD1 4.09Å; L85-L124 HydrophobicContact CD2-CD1 4Å |
| 86 | D | 94.9 | Very high | 91.3 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110.9 | 177.3 | -172.9 | -56.1 | 0 | 0 | 0 | 109.7 | K63 G88 T89 V90 | K63-D86 WeakPolarHBondContact CE-OD2 3.39Å; K63-D86 IonicContact NZ-OD2 2.68Å; K63-D86 PolarHBondContact NZ-OD2 3.43Å; D86-G88 PolarHBondContact O-N 3.09Å; D86-G88 PolarHBondContact OD1-N 2.71Å; D86-G88 VanDerWaalsContact OD1-N 3.1Å; D86-T89 HydrophobicContact CB-CG2 3.95Å; D86-T89 PolarHBondContact O-N 3Å; D86-T89 VanDerWaalsContact O-N 3.16Å; D86-T89 PolarHBondContact O-OG1 3.34Å; D86-T89 PolarHBondContact OD1-N 3.13Å; D86-V90 PolarHBondContact O-N 3.11Å |
| 87 | I | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -34 | -173.5 | -64.1 | 175 | 0 | 0 | 0 | 111.3 | L5 V58 S62 L64 L85 T89 V90 L91 L98 M127 | L5-I87 HydrophobicContact CD2-CD1 4.05Å; V58-I87 HydrophobicContact CB-CD1 3.64Å; V58-I87 HydrophobicContact CG1-CD1 3.65Å; V58-I87 HydrophobicContact CG2-CD1 4.05Å; S62-I87 WeakPolarHBondContact O-CB 3.4Å; S62-I87 WeakPolarHBondContact O-CG1 3.34Å; S62-I87 PolarHBondContact O-N 3.31Å; S62-I87 VanDerWaalsContact O-N 3.14Å; L64-I87 HydrophobicContact CD2-CD1 3.95Å; L64-I87 HydrophobicContact CG-CD1 3.97Å; L64-I87 HydrophobicContact CG-CG1 4.11Å; L85-I87 HydrophobicContact CD2-CG1 4.04Å; I87-T89 VanDerWaalsContact C-N 3.33Å; I87-T89 PolarHBondContact O-N 3.22Å; I87-V90 PolarHBondContact O-N 3.12Å; I87-L91 HydrophobicContact CG2-CD1 3.77Å; I87-L91 HydrophobicContact CG2-CG 4.16Å; I87-L91 WeakPolarHBondContact O-CB 3.35Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 2.74Å; I87-L98 HydrophobicContact CG2-CD1 4.3Å; I87-M127 HydrophobicContact CG2-CE 4.31Å; I87-M127 HydrophobicContact CG2-SD 3.99Å |
| 88 | G | 91.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P60 D86 K92 | P60-G88 WeakPolarHBondContact O-CA 3.35Å; P60-G88 PolarHBondContact O-N 3.46Å; D86-G88 PolarHBondContact O-N 3.09Å; D86-G88 PolarHBondContact OD1-N 2.71Å; D86-G88 VanDerWaalsContact OD1-N 3.1Å; G88-K92 WeakPolarHBondContact O-CG 3.39Å; G88-K92 PolarHBondContact O-N 3.02Å; G88-K92 VanDerWaalsContact O-N 3.08Å |
| 89 | T | 93 | Very high | 92.8 | Very high | 82 Ų | 82 | 44 Ų | 44 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 174.5 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | D86 I87 A93 | D86-T89 HydrophobicContact CB-CG2 3.95Å; D86-T89 PolarHBondContact O-N 3Å; D86-T89 VanDerWaalsContact O-N 3.16Å; D86-T89 PolarHBondContact O-OG1 3.34Å; D86-T89 PolarHBondContact OD1-N 3.13Å; I87-T89 VanDerWaalsContact C-N 3.33Å; I87-T89 PolarHBondContact O-N 3.22Å; T89-A93 PolarHBondContact O-N 3.23Å |
| 90 | V | 94.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.9 | -37 | -179.5 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | L85 D86 I87 A93 N94 L98 V101 Q103 L124 | L85-V90 HydrophobicContact CD1-CG2 3.81Å; L85-V90 HydrophobicContact CD2-CG2 4.03Å; L85-V90 HydrophobicContact CG-CG2 3.89Å; D86-V90 PolarHBondContact O-N 3.11Å; I87-V90 PolarHBondContact O-N 3.12Å; V90-A93 PolarHBondContact O-N 3.04Å; V90-N94 PolarHBondContact O-N 3.35Å; V90-N94 PolarHBondContact O-ND2 3.1Å; V90-L98 HydrophobicContact CB-CD2 4.26Å; V90-L98 HydrophobicContact CG1-CD2 3.68Å; V90-V101 HydrophobicContact CG1-CG1 4Å; V90-Q103 HydrophobicContact CG1-CG 4.36Å; V90-L124 HydrophobicContact CG1-CD1 4.42Å |
| 91 | L | 91.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 171 | -79.6 | 168.2 | 0 | 0 | 0 | 111.2 | P60 I87 A93 N94 L96 L98 M127 V129 F134 | P60-L91 HydrophobicContact CB-CD1 3.94Å; I87-L91 HydrophobicContact CG2-CD1 3.77Å; I87-L91 HydrophobicContact CG2-CG 4.16Å; I87-L91 WeakPolarHBondContact O-CB 3.35Å; I87-L91 WeakPolarHBondContact O-CG 3.35Å; I87-L91 PolarHBondContact O-N 2.74Å; L91-A93 PolarHBondContact O-N 3.33Å; L91-N94 CarbonylContact O-C 3.57Å; L91-N94 PolarHBondContact O-N 2.99Å; L91-N94 VanDerWaalsContact O-N 3.1Å; L91-L96 HydrophobicContact CB-CD2 4.06Å; L91-L96 WeakPolarHBondContact CD2-O 3.13Å; L91-L96 WeakPolarHBondContact O-CA 3.38Å; L91-L96 PolarHBondContact O-N 3.37Å; L91-L98 HydrophobicContact CD2-CD1 4.32Å; L91-L98 HydrophobicContact CD2-CD2 4.26Å; L91-L98 HydrophobicContact CD2-CG 3.8Å; L91-L98 HydrophobicContact CG-CD1 4.39Å; L91-L98 HydrophobicContact CG-CD2 4.48Å; L91-L98 HydrophobicContact CG-CG 4.27Å; L91-M127 HydrophobicContact CD1-CE 4.12Å; L91-M127 HydrophobicContact CD1-SD 4.44Å; L91-V129 HydrophobicContact CD1-CG2 3.81Å; L91-V129 HydrophobicContact CD2-CG2 4.04Å; L91-F134 HydrophobicContact CB-CE2 4Å; L91-F134 HydrophobicContact CD1-CD2 4.14Å; L91-F134 HydrophobicContact CD1-CE2 3.77Å |
| 92 | K | 91.3 | Very high | 93.3 | Very high | 113 Ų | 113 | 52.8 Ų | 52.8 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.9 | -32.4 | 176.1 | -77.1 | 176.1 | 178.6 | -179.3 | 0 | 113.7 | G88 N94 F134 E138 | G88-K92 WeakPolarHBondContact O-CG 3.39Å; G88-K92 PolarHBondContact O-N 3.02Å; G88-K92 VanDerWaalsContact O-N 3.08Å; K92-N94 VanDerWaalsContact C-N 3.33Å; K92-F134 HydrophobicContact CD-CE1 4.42Å; K92-F134 HydrophobicContact CD-CZ 4.48Å; K92-F134 VanDerWaalsContact CE-CE1 3.43Å; K92-F134 HydrophobicContact CG-CE1 4.11Å; K92-F134 HydrophobicContact CG-CZ 4.08Å; K92-E138 WeakPolarHBondContact CE-OE1 3.28Å; K92-E138 WeakPolarHBondContact CE-OE2 3.41Å; K92-E138 IonicContact NZ-OE1 3.23Å; K92-E138 PolarHBondContact NZ-OE1 2.88Å; K92-E138 IonicContact NZ-OE2 3.35Å; K92-E138 PolarHBondContact NZ-OE2 3.48Å |
| 93 | A | 91.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 54 Ų | 54 | 63% | 0.628 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -81.3 | -8.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T89 V90 L91 | T89-A93 PolarHBondContact O-N 3.23Å; V90-A93 PolarHBondContact O-N 3.04Å; L91-A93 PolarHBondContact O-N 3.33Å |
| 94 | N | 92.4 | Very high | 93.4 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | 44.8 | -174.3 | -63 | -92.7 | 0 | 0 | 0 | 111.4 | V90 L91 K92 L96 K97 L98 V101 | V90-N94 PolarHBondContact O-N 3.35Å; V90-N94 PolarHBondContact O-ND2 3.1Å; L91-N94 CarbonylContact O-C 3.57Å; L91-N94 PolarHBondContact O-N 2.99Å; L91-N94 VanDerWaalsContact O-N 3.1Å; K92-N94 VanDerWaalsContact C-N 3.33Å; N94-L96 PolarHBondContact O-N 3.35Å; N94-K97 VanDerWaalsContact CB-O 3.31Å; N94-K97 WeakPolarHBondContact CB-O 3.44Å; N94-K97 PolarHBondContact O-N 3.18Å; N94-L98 HydrophobicContact CB-CD2 4.5Å; N94-V101 HydrophobicContact CB-CG2 4.34Å |
| 95 | D | 91.4 | Very high | 93.5 | Very high | 156 Ų | 156 | 54.9 Ų | 54.9 | 83% | 0.834 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 36.6 | 176.1 | -60.1 | -39.7 | 0 | 0 | 0 | 114.9 | K97 | D95-K97 PolarHBondContact O-N 2.91Š|
| 96 | L | 90.7 | Very high | 93.4 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 26 | -174.8 | -51.7 | -179.1 | 0 | 0 | 0 | 114.8 | L91 N94 Q128 V129 P131 F134 | L91-L96 HydrophobicContact CB-CD2 4.06Å; L91-L96 WeakPolarHBondContact CD2-O 3.13Å; L91-L96 WeakPolarHBondContact O-CA 3.38Å; L91-L96 PolarHBondContact O-N 3.37Å; N94-L96 PolarHBondContact O-N 3.35Å; L96-Q128 WeakPolarHBondContact O-CA 3.48Å; L96-V129 WeakPolarHBondContact CB-O 3.46Å; L96-V129 PolarHBondContact O-N 2.79Å; L96-P131 HydrophobicContact CD1-CB 4.05Å; L96-P131 HydrophobicContact CD1-CG 4.01Å; L96-F134 HydrophobicContact CD1-CB 4.04Å; L96-F134 HydrophobicContact CD1-CG 4.21Å; L96-F134 HydrophobicContact CD2-CD1 4.07Å; L96-F134 HydrophobicContact CD2-CD2 3.92Å; L96-F134 HydrophobicContact CD2-CE1 4.25Å; L96-F134 HydrophobicContact CD2-CE2 4.11Å; L96-F134 HydrophobicContact CD2-CG 3.91Å; L96-F134 HydrophobicContact CD2-CZ 4.28Å |
| 97 | K | 91.6 | Very high | 93.4 | Very high | 97 Ų | 97 | 58.5 Ų | 58.5 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 121.7 | 178 | -171.7 | 179.4 | -175.9 | -174.3 | 0 | 112.1 | N94 D95 C99 M127 Q128 | N94-K97 VanDerWaalsContact CB-O 3.31Å; N94-K97 WeakPolarHBondContact CB-O 3.44Å; N94-K97 PolarHBondContact O-N 3.18Å; D95-K97 PolarHBondContact O-N 2.91Å; K97-C99 HydrophobicContact CG-CB 4.36Å; K97-M127 CarbonylContact C-O 3.29Å; K97-Q128 HydrophobicContact CB-CB 4.48Å; K97-Q128 HydrophobicContact CB-CG 4.05Å; K97-Q128 HydrophobicContact CD-CG 4.46Å; K97-Q128 HydrophobicContact CG-CB 4.12Å; K97-Q128 HydrophobicContact CG-CG 4.05Å |
| 98 | L | 92.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 103 | 168.6 | -51.9 | -177.9 | 0 | 0 | 0 | 108.7 | L5 I87 V90 L91 N94 V101 L124 G126 M127 | L5-L98 HydrophobicContact CD1-CB 4.33Å; L5-L98 HydrophobicContact CD1-CD1 3.84Å; I87-L98 HydrophobicContact CG2-CD1 4.3Å; V90-L98 HydrophobicContact CB-CD2 4.26Å; V90-L98 HydrophobicContact CG1-CD2 3.68Å; L91-L98 HydrophobicContact CD2-CD1 4.32Å; L91-L98 HydrophobicContact CD2-CD2 4.26Å; L91-L98 HydrophobicContact CD2-CG 3.8Å; L91-L98 HydrophobicContact CG-CD1 4.39Å; L91-L98 HydrophobicContact CG-CD2 4.48Å; L91-L98 HydrophobicContact CG-CG 4.27Å; N94-L98 HydrophobicContact CB-CD2 4.5Å; L98-V101 HydrophobicContact CD2-CB 4.47Å; L98-V101 HydrophobicContact CD2-CG2 4.28Å; L98-L124 HydrophobicContact CB-CB 4.43Å; L98-L124 HydrophobicContact CD1-CB 4.3Å; L98-L124 HydrophobicContact CD1-CD1 4.26Å; L98-G126 PolarHBondContact O-N 2.91Å; L98-G126 VanDerWaalsContact O-N 3.16Å; L98-M127 HydrophobicContact CB-CB 4.28Å; L98-M127 HydrophobicContact CD1-SD 4.37Å; L98-M127 PolarHBondContact N-O 2.92Å; L98-M127 PolarHBondContact O-N 3.2Å |
| 99 | C | 93.7 | Very high | 92.7 | Very high | 69 Ų | 69 | 64.1 Ų | 64.1 | 47% | 0.466 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -133.8 | 115.6 | 172.8 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | K97 V101 D125 | K97-C99 HydrophobicContact CG-CB 4.36Å; C99-V101 PolarHBondContact O-N 2.91Å; C99-V101 VanDerWaalsContact O-N 3.08Å; C99-D125 WeakPolarHBondContact CA-OD1 3.39Å; C99-D125 PolarHBondContact SG-OD1 2.82Å; C99-D125 VanDerWaalsContact SG-OD1 3.42Å |
| 100 | E | 92.6 | Very high | 91.3 | Very high | 153 Ų | 153 | 65.2 Ų | 65.2 | 72% | 0.715 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 44.5 | 33.1 | -170.3 | -57.6 | -164.8 | 129 | 0 | 0 | 115.6 | V102 C123 L124 D125 | E100-V102 PolarHBondContact O-N 3.22Å; E100-V102 VanDerWaalsContact O-N 3.12Å; E100-C123 VanDerWaalsContact CA-SG 3.57Å; E100-L124 PolarHBondContact N-O 3.42Å; E100-D125 PolarHBondContact N-OD1 3.46Å |
| 101 | V | 95.6 | Very high | 89.7 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 103.5 | -175.1 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | V90 N94 L98 C99 Q103 C123 L124 | V90-V101 HydrophobicContact CG1-CG1 4Å; N94-V101 HydrophobicContact CB-CG2 4.34Å; L98-V101 HydrophobicContact CD2-CB 4.47Å; L98-V101 HydrophobicContact CD2-CG2 4.28Å; C99-V101 PolarHBondContact O-N 2.91Å; C99-V101 VanDerWaalsContact O-N 3.08Å; V101-Q103 HydrophobicContact CG1-CG 4.35Å; V101-C123 WeakPolarHBondContact O-CA 3.49Å; V101-L124 HydrophobicContact CB-CB 4.48Å; V101-L124 PolarHBondContact N-O 3.04Å; V101-L124 PolarHBondContact O-N 3.46Å |
| 102 | V | 95.8 | Very high | 88.5 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 53% | 0.533 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 132.2 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | L10 E100 I122 C123 | L10-V102 HydrophobicContact CD1-CG1 4.11Å; L10-V102 HydrophobicContact CD1-CG2 4.48Å; E100-V102 PolarHBondContact O-N 3.22Å; E100-V102 VanDerWaalsContact O-N 3.12Å; V102-I122 CarbonylContact C-O 3.55Å; V102-I122 WeakPolarHBondContact CA-O 3.49Å; V102-C123 HydrophobicContact CG2-CB 4.18Å |
| 103 | Q | 96.3 | Very high | 87.3 | Confident | 60 Ų | 60 | 80.1 Ų | 80.1 | 28% | 0.28 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.2 | 175.9 | -72.7 | -75.7 | 39.9 | 0 | 0 | 111.1 | L85 V90 V101 S121 I122 | L85-Q103 HydrophobicContact CD1-CB 4.24Å; L85-Q103 HydrophobicContact CD1-CG 4.12Å; V90-Q103 HydrophobicContact CG1-CG 4.36Å; V101-Q103 HydrophobicContact CG1-CG 4.35Å; Q103-S121 WeakPolarHBondContact O-CA 3.5Å; Q103-I122 HydrophobicContact CB-CD1 4.47Å; Q103-I122 HydrophobicContact CB-CG1 3.99Å; Q103-I122 PolarHBondContact N-O 3.06Å; Q103-I122 PolarHBondContact O-N 3.43Å |
| 104 | T | 96.1 | Very high | 86.2 | Confident | 81 Ų | 81 | 84.8 Ų | 84.8 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.3 | 171.4 | -61.5 | 0 | 0 | 0 | 0 | 109.1 | D119 L120 S121 | T104-D119 HydrophobicContact CG2-CB 4.03Å; T104-L120 CarbonylContact C-O 3.48Å; T104-L120 WeakPolarHBondContact CA-O 3.49Å; T104-S121 PolarHBondContact OG1-OG 2.76Å |
| 105 | L | 95.6 | Very high | 85.7 | Confident | 22 Ų | 22 | 85.3 Ų | 85.3 | 12% | 0.115 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.5 | -175.7 | -53.4 | -180 | 0 | 0 | 0 | 110 | F66 A83 L85 D119 L120 I122 | F66-L105 HydrophobicContact CD2-CD1 3.57Å; F66-L105 HydrophobicContact CE2-CD1 3.67Å; F66-L105 HydrophobicContact CG-CD1 4.33Å; F66-L105 HydrophobicContact CZ-CD1 4.5Å; A83-L105 HydrophobicContact CB-CB 3.82Å; A83-L105 HydrophobicContact CB-CD1 4.17Å; L85-L105 HydrophobicContact CB-CD1 4.07Å; L85-L105 HydrophobicContact CB-CD2 4.21Å; L85-L105 HydrophobicContact CD1-CD1 4.45Å; L85-L105 HydrophobicContact CD1-CD2 3.87Å; L105-D119 CarbonylContact O-C 3.56Å; L105-D119 WeakPolarHBondContact O-CA 3.5Å; L105-L120 PolarHBondContact N-O 3.08Å; L105-L120 PolarHBondContact O-N 3.43Å; L105-I122 HydrophobicContact CD1-CD1 4.06Å |
| 106 | Q | 94.9 | Very high | 85.4 | Confident | 126 Ų | 126 | 81.3 Ų | 81.3 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 132.4 | 170.1 | -70 | 178.3 | -21.7 | 0 | 0 | 109.8 | A83 I116 | A83-Q106 WeakPolarHBondContact CB-O 3.32Å; Q106-I116 HydrophobicContact CB-CG2 4.42Å |
| 107 | L | 93.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.9 | 173.5 | -62.9 | 165.4 | 0 | 0 | 0 | 109.1 | L14 V68 M82 A83 I116 V117 G118 L120 | L14-L107 HydrophobicContact CD2-CD1 3.67Å; V68-L107 HydrophobicContact CG2-CD1 3.8Å; V68-L107 HydrophobicContact CG2-CD2 3.74Å; V68-L107 HydrophobicContact CG2-CG 4.45Å; M82-L107 CarbonylContact O-C 3.52Å; M82-L107 WeakPolarHBondContact O-CA 3.5Å; A83-L107 HydrophobicContact CB-CD2 3.96Å; L107-I116 CarbonylContact O-C 3.56Å; L107-I116 WeakPolarHBondContact O-CA 3.49Å; L107-V117 HydrophobicContact CB-CG2 3.76Å; L107-V117 VanDerWaalsContact O-CG2 3.32Å; L107-V117 WeakPolarHBondContact O-CG2 3.08Å; L107-V117 PolarHBondContact O-N 3.34Å; L107-G118 WeakPolarHBondContact CB-O 3.36Å; L107-G118 PolarHBondContact N-O 2.89Å; L107-L120 HydrophobicContact CD1-CB 4.18Å; L107-L120 HydrophobicContact CD2-CB 4.08Å; L107-L120 HydrophobicContact CD2-CD2 4.41Å; L107-L120 HydrophobicContact CG-CB 4.1Å |
| 108 | C | 90.4 | Very high | 85.4 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 167.3 | 171.6 | 62 | 0 | 0 | 0 | 0 | 111.7 | G81 M82 D115 | G81-C108 CarbonylContact C-O 3.41Å; G81-C108 WeakPolarHBondContact CA-O 3.13Å; M82-C108 PolarHBondContact N-O 2.75Å; M82-C108 PolarHBondContact O-N 3.33Å; M82-C108 PolarHBondContact O-SG 3.06Å; C108-D115 WeakPolarHBondContact CA-O 3.49Å |
| 109 | F | 79.9 | Confident | 85.5 | Confident | 92 Ų | 92 | 79.2 Ų | 79.2 | 40% | 0.404 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 145.2 | 169 | -85.3 | -56 | 0 | 0 | 0 | 111.6 | R111 D112 V117 | F109-R111 PolarHBondContact O-N 2.9Å; F109-D112 CarbonylContact O-C 3.55Å; F109-D112 PolarHBondContact O-N 2.85Å; F109-D112 VanDerWaalsContact O-N 3.1Å; F109-V117 HydrophobicContact CD1-CG1 4.38Å; F109-V117 HydrophobicContact CD2-CG1 3.42Å; F109-V117 VanDerWaalsContact CD2-CG1 3.42Å; F109-V117 HydrophobicContact CE1-CG1 4.32Å; F109-V117 HydrophobicContact CE2-CG1 3.36Å; F109-V117 HydrophobicContact CG-CG1 3.95Å; F109-V117 HydrophobicContact CZ-CG1 3.83Å |
| 110 | D | 65.1 | Low | 85.7 | Confident | 105 Ų | 105 | 76 Ų | 76 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19.3 | 179 | -173.3 | 63.7 | 0 | 0 | 0 | 114.4 | L79 M82 | L79-D110 HydrophobicContact CD2-CB 3.88Å; M82-D110 HydrophobicContact CE-CB 4.45Å; M82-D110 VanDerWaalsContact CE-OD1 3.26Å; M82-D110 WeakPolarHBondContact CE-OD1 3.37Å |
| 111 | R | 59.2 | Low | 85.9 | Confident | 241 Ų | 241 | 70 Ų | 70 | 91% | 0.909 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -13.7 | -179 | -62.1 | -174.9 | -178.3 | -177.9 | 1.6 | 114.9 | F109 | F109-R111 PolarHBondContact O-N 2.9Š|
| 112 | D | 68.8 | Low | 86 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 111.3 | 176.2 | -167.6 | -22.3 | 0 | 0 | 0 | 111.1 | F109 Q114 D115 | F109-D112 CarbonylContact O-C 3.55Å; F109-D112 PolarHBondContact O-N 2.85Å; F109-D112 VanDerWaalsContact O-N 3.1Å; D112-Q114 PolarHBondContact O-N 3.46Å; D112-Q114 VanDerWaalsContact O-N 3.12Å; D112-Q114 PolarHBondContact OD1-N 2.69Å; D112-D115 PolarHBondContact O-N 3.35Å |
| 113 | P | 65.3 | Low | 86 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 70% | 0.695 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | -11.7 | 176 | -24.1 | 35.1 | 0 | 0 | 0 | 115.8 | ||
| 114 | Q | 69.3 | Low | 86 | Confident | 174 Ų | 174 | 62.9 Ų | 62.9 | 81% | 0.813 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -17.9 | -178.9 | -60.8 | -157.6 | 3.4 | 0 | 0 | 114.9 | D112 I116 | D112-Q114 PolarHBondContact O-N 3.46Å; D112-Q114 VanDerWaalsContact O-N 3.12Å; D112-Q114 PolarHBondContact OD1-N 2.69Å; Q114-I116 PolarHBondContact O-N 3.3Å |
| 115 | D | 80.5 | Confident | 86 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 96 | 173.9 | -170.7 | 18.4 | 0 | 0 | 0 | 110.8 | K15 C108 D112 V117 | K15-D115 IonicContact NZ-OD1 3.83Å; K15-D115 PolarHBondContact NZ-OD1 3.34Å; C108-D115 WeakPolarHBondContact CA-O 3.49Å; D112-D115 PolarHBondContact O-N 3.35Å; D115-V117 PolarHBondContact O-N 3.25Å |
| 116 | I | 86.4 | Confident | 85.7 | Confident | 72 Ų | 72 | 63 Ų | 63 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119.5 | 176 | -58.9 | 170.7 | 0 | 0 | 0 | 109.2 | K15 Q106 L107 Q114 | K15-I116 WeakPolarHBondContact CD-O 3.49Å; K15-I116 PolarHBondContact NZ-O 2.93Å; Q106-I116 HydrophobicContact CB-CG2 4.42Å; L107-I116 CarbonylContact O-C 3.56Å; L107-I116 WeakPolarHBondContact O-CA 3.49Å; Q114-I116 PolarHBondContact O-N 3.3Å |
| 117 | V | 89.3 | Confident | 85.5 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -6.8 | -176.6 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | K15 L80 L107 F109 D115 | K15-V117 WeakPolarHBondContact CB-O 3.02Å; K15-V117 PolarHBondContact N-O 2.77Å; L80-V117 VanDerWaalsContact O-CG2 3.28Å; L80-V117 WeakPolarHBondContact O-CG2 3.26Å; L107-V117 HydrophobicContact CB-CG2 3.76Å; L107-V117 VanDerWaalsContact O-CG2 3.32Å; L107-V117 WeakPolarHBondContact O-CG2 3.08Å; L107-V117 PolarHBondContact O-N 3.34Å; F109-V117 HydrophobicContact CD1-CG1 4.38Å; F109-V117 HydrophobicContact CD2-CG1 3.42Å; F109-V117 VanDerWaalsContact CD2-CG1 3.42Å; F109-V117 HydrophobicContact CE1-CG1 4.32Å; F109-V117 HydrophobicContact CE2-CG1 3.36Å; F109-V117 HydrophobicContact CG-CG1 3.95Å; F109-V117 HydrophobicContact CZ-CG1 3.83Å; D115-V117 PolarHBondContact O-N 3.25Å |
| 118 | G | 92.6 | Very high | 85.3 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -174.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K13 L107 | K13-G118 CarbonylContact O-C 3.59Å; K13-G118 WeakPolarHBondContact O-CA 3.5Å; L107-G118 WeakPolarHBondContact CB-O 3.36Å; L107-G118 PolarHBondContact N-O 2.89Å |
| 119 | D | 95.3 | Very high | 85.2 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.8 | 173.9 | -56.2 | -62.7 | 0 | 0 | 0 | 110.3 | A12 K13 T104 L105 | A12-D119 CarbonylContact C-O 3.44Å; A12-D119 WeakPolarHBondContact CA-O 3.2Å; A12-D119 WeakPolarHBondContact CB-O 3.39Å; K13-D119 PolarHBondContact N-O 3.04Å; K13-D119 PolarHBondContact O-N 3.24Å; T104-D119 HydrophobicContact CG2-CB 4.03Å; L105-D119 CarbonylContact O-C 3.56Å; L105-D119 WeakPolarHBondContact O-CA 3.5Å |
| 120 | L | 96.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.4 | 173.1 | 178.1 | 66.4 | 0 | 0 | 0 | 109.9 | V9 A12 V28 W50 F66 T104 L105 L107 I122 | V9-L120 HydrophobicContact CG1-CD1 4.16Å; A12-L120 HydrophobicContact CB-CD1 3.97Å; V28-L120 HydrophobicContact CG1-CD2 4.18Å; V28-L120 HydrophobicContact CG2-CD1 4.08Å; W50-L120 HydrophobicContact CZ3-CD1 4.21Å; F66-L120 HydrophobicContact CB-CD2 3.57Å; F66-L120 HydrophobicContact CD1-CD2 3.74Å; F66-L120 HydrophobicContact CG-CD2 3.77Å; T104-L120 CarbonylContact C-O 3.48Å; T104-L120 WeakPolarHBondContact CA-O 3.49Å; L105-L120 PolarHBondContact N-O 3.08Å; L105-L120 PolarHBondContact O-N 3.43Å; L107-L120 HydrophobicContact CD1-CB 4.18Å; L107-L120 HydrophobicContact CD2-CB 4.08Å; L107-L120 HydrophobicContact CD2-CD2 4.41Å; L107-L120 HydrophobicContact CG-CB 4.1Å; L120-I122 HydrophobicContact CD2-CG2 4.31Å; L120-I122 HydrophobicContact CG-CG2 4.12Å |
| 121 | S | 97.2 | Very high | 86.6 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 19% | 0.189 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.5 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | L10 S11 Q103 T104 | L10-S121 WeakPolarHBondContact CB-O 3.41Å; L10-S121 PolarHBondContact N-O 2.81Å; S11-S121 PolarHBondContact N-O 2.98Å; S11-S121 PolarHBondContact O-N 2.9Å; Q103-S121 WeakPolarHBondContact O-CA 3.5Å; T104-S121 PolarHBondContact OG1-OG 2.76Å |
| 122 | I | 97.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 164 | -180 | 66.6 | 175.7 | 0 | 0 | 0 | 110.5 | T8 F66 L85 V102 Q103 L105 L120 L124 | T8-I122 CarbonylContact O-C 3.55Å; T8-I122 VanDerWaalsContact O-CA 3.29Å; T8-I122 WeakPolarHBondContact O-CA 3.35Å; F66-I122 HydrophobicContact CD1-CG2 4.37Å; F66-I122 HydrophobicContact CE1-CD1 4.06Å; F66-I122 HydrophobicContact CE1-CG2 3.87Å; F66-I122 HydrophobicContact CE2-CD1 3.87Å; F66-I122 HydrophobicContact CZ-CD1 3.39Å; F66-I122 HydrophobicContact CZ-CG2 4.28Å; L85-I122 HydrophobicContact CD1-CD1 4.2Å; V102-I122 CarbonylContact C-O 3.55Å; V102-I122 WeakPolarHBondContact CA-O 3.49Å; Q103-I122 HydrophobicContact CB-CD1 4.47Å; Q103-I122 HydrophobicContact CB-CG1 3.99Å; Q103-I122 PolarHBondContact N-O 3.06Å; Q103-I122 PolarHBondContact O-N 3.43Å; L105-I122 HydrophobicContact CD1-CD1 4.06Å; L120-I122 HydrophobicContact CD2-CG2 4.31Å; L120-I122 HydrophobicContact CG-CG2 4.12Å; I122-L124 HydrophobicContact CD1-CD2 3.91Å; I122-L124 HydrophobicContact CD1-CG 4.28Å |
| 123 | C | 96.8 | Very high | 88.3 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.2 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | T8 L10 E100 V101 V102 | T8-C123 PolarHBondContact N-O 2.83Å; T8-C123 PolarHBondContact O-N 3.33Å; L10-C123 HydrophobicContact CD1-CB 4.21Å; L10-C123 HydrophobicContact CD2-CB 4.34Å; L10-C123 HydrophobicContact CG-CB 4.41Å; E100-C123 VanDerWaalsContact CA-SG 3.57Å; V101-C123 WeakPolarHBondContact O-CA 3.49Å; V102-C123 HydrophobicContact CG2-CB 4.18Å |
| 124 | L | 96.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.4 | -176.7 | -58.6 | -178.1 | 0 | 0 | 0 | 110.2 | L5 V7 L64 L85 V90 L98 E100 V101 I122 | L5-L124 HydrophobicContact CD1-CB 4.43Å; L5-L124 HydrophobicContact CD2-CD2 4.26Å; V7-L124 HydrophobicContact CB-CD2 4.32Å; V7-L124 HydrophobicContact CG1-CD2 4.09Å; V7-L124 HydrophobicContact CG2-CD2 3.84Å; L64-L124 HydrophobicContact CD1-CD2 4.14Å; L85-L124 HydrophobicContact CD1-CD1 4.09Å; L85-L124 HydrophobicContact CD2-CD1 4Å; V90-L124 HydrophobicContact CG1-CD1 4.42Å; L98-L124 HydrophobicContact CB-CB 4.43Å; L98-L124 HydrophobicContact CD1-CB 4.3Å; L98-L124 HydrophobicContact CD1-CD1 4.26Å; E100-L124 PolarHBondContact N-O 3.42Å; V101-L124 HydrophobicContact CB-CB 4.48Å; V101-L124 PolarHBondContact N-O 3.04Å; V101-L124 PolarHBondContact O-N 3.46Å; I122-L124 HydrophobicContact CD1-CD2 3.91Å; I122-L124 HydrophobicContact CD1-CG 4.28Å |
| 125 | D | 95.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 157 | -176.3 | -173 | 54.1 | 0 | 0 | 0 | 113.2 | L5 Q6 C99 E100 | L5-D125 WeakPolarHBondContact CD1-O 3.47Å; Q6-D125 HydrophobicContact CB-CB 4.49Å; Q6-D125 PolarHBondContact N-O 3.2Å; Q6-D125 PolarHBondContact O-N 3.33Å; C99-D125 WeakPolarHBondContact CA-OD1 3.39Å; C99-D125 PolarHBondContact SG-OD1 2.82Å; C99-D125 VanDerWaalsContact SG-OD1 3.42Å; E100-D125 PolarHBondContact N-OD1 3.46Å |
| 126 | G | 89.9 | Confident | 90 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 90.8 | 10.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L98 | L98-G126 PolarHBondContact O-N 2.91Å; L98-G126 VanDerWaalsContact O-N 3.16Å |
| 127 | M | 89.6 | Confident | 89.6 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.8 | -176.9 | -172.2 | 177.7 | -171.3 | 0 | 0 | 112.6 | A3 L5 V58 P60 I87 L91 K97 L98 V129 | A3-M127 HydrophobicContact CB-CE 4.36Å; A3-M127 HydrophobicContact CB-CG 4.5Å; L5-M127 HydrophobicContact CD1-CB 3.67Å; L5-M127 HydrophobicContact CD1-SD 4.27Å; V58-M127 HydrophobicContact CG2-CE 3.9Å; V58-M127 HydrophobicContact CG2-SD 3.7Å; P60-M127 HydrophobicContact CB-CE 4.32Å; P60-M127 HydrophobicContact CG-CE 4.11Å; I87-M127 HydrophobicContact CG2-CE 4.31Å; I87-M127 HydrophobicContact CG2-SD 3.99Å; L91-M127 HydrophobicContact CD1-CE 4.12Å; L91-M127 HydrophobicContact CD1-SD 4.44Å; K97-M127 CarbonylContact C-O 3.29Å; L98-M127 HydrophobicContact CB-CB 4.28Å; L98-M127 HydrophobicContact CD1-SD 4.37Å; L98-M127 PolarHBondContact N-O 2.92Å; L98-M127 PolarHBondContact O-N 3.2Å; M127-V129 HydrophobicContact CE-CG2 3.86Å; M127-V129 HydrophobicContact CG-CG2 4.36Å |
| 128 | Q | 90.3 | Very high | 89.2 | Confident | 137 Ų | 137 | 45.8 Ų | 45.8 | 64% | 0.64 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.5 | 169.2 | -171.7 | 169.2 | -9.7 | 0 | 0 | 109.4 | L96 K97 | L96-Q128 WeakPolarHBondContact O-CA 3.48Å; K97-Q128 HydrophobicContact CB-CB 4.48Å; K97-Q128 HydrophobicContact CB-CG 4.05Å; K97-Q128 HydrophobicContact CD-CG 4.46Å; K97-Q128 HydrophobicContact CG-CB 4.12Å; K97-Q128 HydrophobicContact CG-CG 4.05Å |
| 129 | V | 87.9 | Confident | 88.3 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | trans | -129.9 | 136.6 | -176.5 | -164.9 | 0 | 0 | 0 | 0 | 110 | M1 P60 L91 L96 M127 F134 | M1-V129 HydrophobicContact SD-CG1 4.5Å; P60-V129 HydrophobicContact CB-CG1 4.16Å; P60-V129 HydrophobicContact CB-CG2 4.09Å; P60-V129 HydrophobicContact CG-CB 4.48Å; P60-V129 HydrophobicContact CG-CG1 3.72Å; P60-V129 HydrophobicContact CG-CG2 3.88Å; L91-V129 HydrophobicContact CD1-CG2 3.81Å; L91-V129 HydrophobicContact CD2-CG2 4.04Å; L96-V129 WeakPolarHBondContact CB-O 3.46Å; L96-V129 PolarHBondContact O-N 2.79Å; M127-V129 HydrophobicContact CE-CG2 3.86Å; M127-V129 HydrophobicContact CG-CG2 4.36Å; V129-F134 HydrophobicContact CB-CD2 4.43Å; V129-F134 HydrophobicContact CG1-CB 3.88Å; V129-F134 HydrophobicContact CG1-CD2 4.2Å | ||
| 130 | D | 87.4 | Confident | 87.1 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | trans | -68.9 | 141.1 | 173.3 | 173.2 | -88.3 | 0 | 0 | 0 | 111.5 | E132 A133 F134 | D130-E132 PolarHBondContact O-N 2.81Å; D130-E132 WeakPolarHBondContact OD1-CA 3.11Å; D130-E132 WeakPolarHBondContact OD1-CB 3.4Å; D130-E132 PolarHBondContact OD1-N 3.42Å; D130-A133 HydrophobicContact CB-CB 4.01Å; D130-A133 PolarHBondContact O-N 2.81Å; D130-A133 PolarHBondContact OD1-N 2.8Å; D130-A133 VanDerWaalsContact OD1-N 3.11Å; D130-F134 VanDerWaalsContact O-CB 3.29Å; D130-F134 WeakPolarHBondContact O-CB 3.38Å; D130-F134 PolarHBondContact O-N 3.43Å | ||
| 131 | P | 86.1 | Confident | 85.5 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -37.4 | -178.9 | -25.4 | 33.9 | 0 | 0 | 0 | 115.6 | L96 A135 | L96-P131 HydrophobicContact CD1-CB 4.05Å; L96-P131 HydrophobicContact CD1-CG 4.01Å; P131-A135 WeakPolarHBondContact O-CB 3.46Å; P131-A135 PolarHBondContact O-N 2.97Å |
| 132 | E | 83.4 | Confident | 83.1 | Confident | 154 Ų | 154 | 67 Ų | 67 | 72% | 0.72 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -74.6 | -42.9 | 178.8 | -58.9 | -167.2 | 168.8 | 0 | 0 | 110.5 | D130 F134 A135 L136 | D130-E132 PolarHBondContact O-N 2.81Å; D130-E132 WeakPolarHBondContact OD1-CA 3.11Å; D130-E132 WeakPolarHBondContact OD1-CB 3.4Å; D130-E132 PolarHBondContact OD1-N 3.42Å; E132-F134 VanDerWaalsContact C-N 3.28Å; E132-F134 PolarHBondContact O-N 3.21Å; E132-A135 PolarHBondContact O-N 2.83Å; E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.28Å |
| 133 | A | 81.3 | Confident | 80.4 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 D130 A137 | M1-A133 HydrophobicContact CE-CB 3.76Å; D130-A133 HydrophobicContact CB-CB 4.01Å; D130-A133 PolarHBondContact O-N 2.81Å; D130-A133 PolarHBondContact OD1-N 2.8Å; D130-A133 VanDerWaalsContact OD1-N 3.11Å; A133-A137 PolarHBondContact O-N 2.98Å; A133-A137 VanDerWaalsContact O-N 3.15Å |
| 134 | F | 86.8 | Confident | 77.5 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.035 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.2 | -47.4 | 174.7 | -173.6 | -86.8 | 0 | 0 | 0 | 111.5 | P60 L91 K92 L96 V129 D130 E132 L136 A137 E138 | P60-F134 HydrophobicContact CB-CD2 3.72Å; P60-F134 HydrophobicContact CB-CE2 3.96Å; L91-F134 HydrophobicContact CB-CE2 4Å; L91-F134 HydrophobicContact CD1-CD2 4.14Å; L91-F134 HydrophobicContact CD1-CE2 3.77Å; K92-F134 HydrophobicContact CD-CE1 4.42Å; K92-F134 HydrophobicContact CD-CZ 4.48Å; K92-F134 VanDerWaalsContact CE-CE1 3.43Å; K92-F134 HydrophobicContact CG-CE1 4.11Å; K92-F134 HydrophobicContact CG-CZ 4.08Å; L96-F134 HydrophobicContact CD1-CB 4.04Å; L96-F134 HydrophobicContact CD1-CG 4.21Å; L96-F134 HydrophobicContact CD2-CD1 4.07Å; L96-F134 HydrophobicContact CD2-CD2 3.92Å; L96-F134 HydrophobicContact CD2-CE1 4.25Å; L96-F134 HydrophobicContact CD2-CE2 4.11Å; L96-F134 HydrophobicContact CD2-CG 3.91Å; L96-F134 HydrophobicContact CD2-CZ 4.28Å; V129-F134 HydrophobicContact CB-CD2 4.43Å; V129-F134 HydrophobicContact CG1-CB 3.88Å; V129-F134 HydrophobicContact CG1-CD2 4.2Å; D130-F134 VanDerWaalsContact O-CB 3.29Å; D130-F134 WeakPolarHBondContact O-CB 3.38Å; D130-F134 PolarHBondContact O-N 3.43Å; E132-F134 VanDerWaalsContact C-N 3.28Å; E132-F134 PolarHBondContact O-N 3.21Å; F134-L136 VanDerWaalsContact C-N 3.26Å; F134-L136 PolarHBondContact O-N 3.11Å; F134-A137 PolarHBondContact O-N 2.8Å; F134-A137 VanDerWaalsContact O-N 3.1Å; F134-E138 HydrophobicContact CD1-CG 4.2Å; F134-E138 HydrophobicContact CE1-CG 3.68Å; F134-E138 WeakPolarHBondContact CE1-OE2 3.48Å; F134-E138 HydrophobicContact CZ-CG 4.13Å; F134-E138 PolarHBondContact O-N 2.77Å |
| 135 | A | 81.9 | Confident | 74.4 | Confident | 39 Ų | 39 | 86.7 Ų | 86.7 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -28.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P131 E132 R139 | P131-A135 WeakPolarHBondContact O-CB 3.46Å; P131-A135 PolarHBondContact O-N 2.97Å; E132-A135 PolarHBondContact O-N 2.83Å; A135-R139 WeakPolarHBondContact O-CD 3.41Å; A135-R139 VanDerWaalsContact O-CG 3.26Å; A135-R139 WeakPolarHBondContact O-CG 3.39Å; A135-R139 PolarHBondContact O-N 3.08Å |
| 136 | L | 81.1 | Confident | 71.6 | Confident | 103 Ų | 103 | 93 Ų | 93 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69 | -46.7 | 169.7 | -73.1 | 167.4 | 0 | 0 | 0 | 111.6 | E132 F134 E138 R139 E140 | E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.28Å; F134-L136 VanDerWaalsContact C-N 3.26Å; F134-L136 PolarHBondContact O-N 3.11Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 3.1Å; L136-R139 PolarHBondContact O-N 3.35Å; L136-R139 VanDerWaalsContact O-N 3.08Å; L136-E140 PolarHBondContact O-N 3.03Å; L136-E140 VanDerWaalsContact O-N 3.08Å |
| 137 | A | 79.5 | Confident | 68.8 | Low | 12 Ų | 12 | 93.6 Ų | 93.6 | 10% | 0.099 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -62 | -36.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V61 A133 F134 | V61-A137 HydrophobicContact CG1-CB 4.26Å; V61-A137 HydrophobicContact CG2-CB 4.24Å; A133-A137 PolarHBondContact O-N 2.98Å; A133-A137 VanDerWaalsContact O-N 3.15Å; F134-A137 PolarHBondContact O-N 2.8Å; F134-A137 VanDerWaalsContact O-N 3.1Å |
| 138 | E | 79.1 | Confident | 65.9 | Low | 77 Ų | 77 | 101.4 Ų | 101.4 | 36% | 0.36 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.6 | -35.8 | 172.7 | -68.9 | -152.7 | 106.6 | 0 | 0 | 112.8 | V61 K92 F134 L136 Q141 | V61-E138 HydrophobicContact CG1-CG 4.08Å; K92-E138 WeakPolarHBondContact CE-OE1 3.28Å; K92-E138 WeakPolarHBondContact CE-OE2 3.41Å; K92-E138 IonicContact NZ-OE1 3.23Å; K92-E138 PolarHBondContact NZ-OE1 2.88Å; K92-E138 IonicContact NZ-OE2 3.35Å; K92-E138 PolarHBondContact NZ-OE2 3.48Å; F134-E138 HydrophobicContact CD1-CG 4.2Å; F134-E138 HydrophobicContact CE1-CG 3.68Å; F134-E138 WeakPolarHBondContact CE1-OE2 3.48Å; F134-E138 HydrophobicContact CZ-CG 4.13Å; F134-E138 PolarHBondContact O-N 2.77Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 3.1Å; E138-Q141 PolarHBondContact O-N 2.65Å |
| 139 | R | 75.4 | Confident | 63.2 | Low | 189 Ų | 189 | 99.3 Ų | 99.3 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.2 | -34.7 | 178.5 | -75.7 | 171.5 | -179.3 | 177.5 | 3.1 | 112.5 | A135 L136 Q141 A142 | A135-R139 WeakPolarHBondContact O-CD 3.41Å; A135-R139 VanDerWaalsContact O-CG 3.26Å; A135-R139 WeakPolarHBondContact O-CG 3.39Å; A135-R139 PolarHBondContact O-N 3.08Å; L136-R139 PolarHBondContact O-N 3.35Å; L136-R139 VanDerWaalsContact O-N 3.08Å; R139-Q141 PolarHBondContact O-N 3.22Å; R139-A142 PolarHBondContact O-N 2.99Å |
| 140 | E | 68.8 | Low | 60.4 | Low | 170 Ų | 170 | 109 Ų | 109 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.9 | -18.8 | 176.8 | -70.5 | -174.8 | 152.5 | 0 | 0 | 113.5 | L136 | L136-E140 PolarHBondContact O-N 3.03Å; L136-E140 VanDerWaalsContact O-N 3.08Å |
| 141 | Q | 63.5 | Low | 57.6 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -7.1 | 174.1 | -71.8 | -164 | -5.7 | 0 | 0 | 114.7 | V61 E138 R139 | V61-Q141 HydrophobicContact CG2-CG 4.19Å; V61-Q141 PolarHBondContact O-NE2 2.8Å; E138-Q141 PolarHBondContact O-N 2.65Å; R139-Q141 PolarHBondContact O-N 3.22Å |
| 142 | A | 46.8 | Very low | 54.9 | Low | 63 Ų | 63 | 115.3 Ų | 115.3 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -76.1 | 127.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R139 L144 | R139-A142 PolarHBondContact O-N 2.99Å; A142-L144 PolarHBondContact O-N 2.81Å |
| 143 | P | 41.3 | Very low | 52.2 | Low | 117 Ų | 117 | 111 Ų | 111 | 76% | 0.76 | 63% | 0.631 | S | S | * | * | trans | -71.4 | 130.7 | -179.3 | 28 | -34 | 0 | 0 | 0 | 112.1 | T145 | P143-T145 PolarHBondContact O-N 3.42Å; P143-T145 VanDerWaalsContact O-N 3.13Å | ||
| 144 | L | 35 | Very low | 49.7 | Very low | 179 Ų | 179 | 117.4 Ų | 117.4 | 94% | 0.937 | 66% | 0.662 | S | S | * | * | trans | -66.3 | 106.8 | -179.6 | -73.4 | 167.9 | 0 | 0 | 0 | 112.5 | A142 | A142-L144 PolarHBondContact O-N 2.81Š| ||
| 145 | T | 32.2 | Very low | 47 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 83% | 0.828 | 70% | 0.696 | S | S | * | * | trans | -86.7 | 122.3 | 167.5 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | P143 | P143-T145 PolarHBondContact O-N 3.42Å; P143-T145 VanDerWaalsContact O-N 3.13Å | ||
| 146 | N | 35.8 | Very low | 44.5 | Very low | 176 Ų | 176 | 125 Ų | 125 | 94% | 0.941 | 71% | 0.708 | S | S | * | * | trans | -66.4 | 139.4 | 177 | -90.7 | -34.8 | 0 | 0 | 0 | 112.2 | ||||
| 147 | G | 31.6 | Very low | 41.9 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -160.2 | 80.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 148 | N | 29.9 | Very low | 39.4 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | 26.4 | 125 | 159.9 | -75.4 | -13.1 | 0 | 0 | 0 | 122.6 | ||||
| 149 | A | 32.1 | Very low | 36.9 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -44.2 | 155.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 150 | K | 28.9 | Very low | 34.7 | Very low | 212 Ų | 212 | 133.3 Ų | 133.3 | 92% | 0.922 | 77% | 0.767 | S | S | * | * | trans | -145 | 161 | 144.7 | -116.9 | 170 | -175.5 | 174.5 | 0 | 111.5 | ||||
| 151 | L | 29.5 | Very low | 32.8 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -103 | 172.1 | -162.7 | -101.3 | 101 | 0 | 0 | 0 | 115.1 | ||||
| 152 | N | 29 | Very low | 31 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 84 | 135.3 | 166.3 | -56.4 | -19.4 | 0 | 0 | 0 | 116.9 | ||||
| 153 | G | 27.6 | Very low | 30.2 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | cis | 158.9 | 155.2 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 154 | N | 28.3 | Very low | 29.5 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 66.5 | 150.4 | 167.7 | -68.7 | 3.2 | 0 | 0 | 0 | 116.8 | ||||
| 155 | T | 29.5 | Very low | 29.5 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -166.6 | 159.5 | -10.6 | 20.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 156 | S | 28.7 | Very low | 29.3 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | cis | -171.5 | 168.2 | -6.2 | 54.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 157 | N | 26.6 | Very low | 28.9 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 70.5 | 144.8 | 159.4 | -63.8 | -39.1 | 0 | 0 | 0 | 117.4 | ||||
| 158 | R | 27.5 | Very low | 28.6 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | cis | -156.5 | 148.4 | -0.6 | -131.4 | 177.1 | -172.6 | -179.8 | 0 | 111.3 | ||||
| 159 | S | 27.1 | Very low | 28.5 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | 26.9 | 147.1 | 144.4 | 59.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 160 | S | 28.3 | Very low | 28.3 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | 173.9 | 161.1 | -13 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 161 | R | 29.7 | Very low | 28.2 | Very low | 215 Ų | 215 | 129.6 Ų | 129.6 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | 74.8 | 108.4 | 159.6 | -67 | -170.2 | 159.2 | 146.9 | -3.8 | 119.9 | ||||
| 162 | D | 26.6 | Very low | 28.1 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | 61.7 | 140.6 | 109 | -47.4 | -28.5 | 0 | 0 | 0 | 123.4 | |||||
| 163 | T | 28.5 | Very low | 27.9 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | trans | 76.8 | 134 | 155.3 | 38.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 164 | S | 27.9 | Very low | 27.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -79.7 | 174.5 | -174.2 | -34.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 165 | P | 35.2 | Very low | 28 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | -130.8 | -174.6 | 106.9 | 39 | -32.7 | 0 | 0 | 0 | 113.4 | |||||
| 166 | S | 26.9 | Very low | 28.8 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -113.6 | -179.6 | 179.1 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 167 | S | 27.2 | Very low | 29 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 84.9 | 101.5 | 154.7 | -60.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 168 | D | 25.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | 74 | 132.2 | 121 | -49.8 | -36.5 | 0 | 0 | 0 | 123.3 | |||||
| 169 | S | 28.7 | Very low | 29.2 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 76.7 | 130.2 | 148.6 | 37.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 170 | D | 27.3 | Very low | 29.3 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 69.5 | 154.3 | 149.6 | -50.4 | -23.9 | 0 | 0 | 0 | 118.4 | ||||
| 171 | D | 27.6 | Very low | 29.5 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 60% | 0.599 | 76% | 0.76 | S | S | * | * | cis | -158.1 | 169.3 | 16.3 | -145.1 | -20.2 | 0 | 0 | 0 | 115.3 | ||||
| 172 | W | 25.9 | Very low | 29.5 | Very low | 209 Ų | 209 | 126.9 Ų | 126.9 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | 69.2 | 123.8 | 146.4 | -73.6 | 133.2 | 0 | 0 | 0 | 128.1 | ||||
| 173 | V | 25.9 | Very low | 29.7 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | trans | 64.8 | 119.6 | 131.3 | -169 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 174 | I | 27.2 | Very low | 29.9 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | -161.5 | 135.5 | 98.9 | -87.3 | 174.9 | 0 | 0 | 0 | 109.9 | |||||
| 175 | V | 30.7 | Very low | 29.9 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -138.9 | 142.7 | 166.8 | -156.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 176 | P | 46.3 | Very low | 29.9 | Very low | 99 Ų | 99 | 128 Ų | 128 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | -144.8 | 168.9 | 115.1 | 27.7 | -8.5 | 0 | 0 | 0 | 111.9 | |||||
| 177 | N | 32.2 | Very low | 30.6 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | cis | -161.1 | 164.4 | -12 | -101.1 | -17 | 0 | 0 | 0 | 105.7 | ||||
| 178 | G | 29 | Very low | 30.7 | Very low | 58 Ų | 58 | 129.9 Ų | 129.9 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | cis | 164 | -178.5 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 179 | L | 29.8 | Very low | 31 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 93% | 0.927 | 77% | 0.765 | S | S | * | * | trans | 67.2 | 105.5 | 175.7 | -49 | 173.7 | 0 | 0 | 0 | 115.2 | ||||
| 180 | A | 29.2 | Very low | 31.1 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | 83.6 | 117.8 | 15.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 181 | V | 32.1 | Very low | 31.4 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -149.5 | 139.3 | 154.5 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 182 | S | 31 | Very low | 31.5 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -149.8 | 177.5 | 176.4 | -43.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 183 | D | 30.2 | Very low | 31.9 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | cis | -159.4 | 165.8 | 7 | -161.2 | 1.7 | 0 | 0 | 0 | 110.7 | ||||
| 184 | R | 33.1 | Very low | 32.2 | Very low | 227 Ų | 227 | 126.3 Ų | 126.3 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | 66.8 | 155.7 | 157.9 | -69.9 | 153.5 | -155.9 | -127.8 | -5.2 | 122.1 | ||||
| 185 | G | 27.1 | Very low | 32.4 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 172.4 | 77.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 186 | S | 34.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -85.1 | 162.5 | 167.6 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 187 | P | 42.4 | Very low | 31.7 | Very low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | -145.9 | 173.6 | 115.5 | 40.4 | -27.7 | 0 | 0 | 0 | 115.9 | |||||
| 188 | S | 28.8 | Very low | 31.9 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -117.1 | -172 | 168.8 | -50.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 189 | L | 32.8 | Very low | 32.6 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | cis | -161.6 | 139.3 | 12.5 | -153.6 | 178.5 | 0 | 0 | 0 | 108.9 | A191 | L189-A191 HydrophobicContact CD2-CB 4.07Š| ||
| 190 | S | 30.4 | Very low | 33.1 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -148.4 | 141.2 | 154.4 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 191 | A | 34 | Very low | 33.8 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | -164 | 145.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L189 | L189-A191 HydrophobicContact CD2-CB 4.07Š| ||
| 192 | E | 29.7 | Very low | 34.2 | Very low | 203 Ų | 203 | 133.5 Ų | 133.5 | 95% | 0.949 | 80% | 0.796 | S | S | * | * | trans | -168.9 | 141.3 | 161.9 | -101.5 | 166.7 | -166.3 | 0 | 0 | 104.5 | ||||
| 193 | G | 33.3 | Very low | 34.3 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | cis | 149.7 | 130 | 2.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 194 | S | 32.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | cis | -163.9 | 159.2 | 26.7 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 195 | T | 30.5 | Very low | 35.3 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 35.7 | 99.7 | 147.6 | 56.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 196 | S | 31.7 | Very low | 36 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | 39.6 | 126.9 | 120.8 | 64 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 197 | S | 31.4 | Very low | 36.4 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | -174.8 | 166.9 | 115.1 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 198 | R | 37.1 | Very low | 36.2 | Very low | 234 Ų | 234 | 135.4 Ų | 135.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -141.4 | 129.5 | -179.6 | -176.8 | -160.9 | -178.4 | -166 | 4.9 | 110.3 | ||||
| 199 | P | 42.4 | Very low | 36.7 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | -136 | -148.4 | 127 | 34.9 | -16.7 | 0 | 0 | 0 | 111.6 | |||||
| 200 | P | 41.8 | Very low | 37.2 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | -121.2 | -178.6 | -99.2 | 38.6 | -22.3 | 0 | 0 | 0 | 116.2 | |||||
| 201 | R | 43.7 | Very low | 37.2 | Very low | 238 Ų | 238 | 137.7 Ų | 137.7 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.7 | -178.4 | 166.5 | -169.3 | -76.1 | -178.3 | -4.1 | 113.3 | ||
| 202 | P | 39 | Very low | 37.1 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 157.6 | 165.1 | -14.5 | 30.7 | 0 | 0 | 0 | 114.5 | ||
| 203 | A | 33.8 | Very low | 37.8 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 204 | R | 39.2 | Very low | 37.5 | Very low | 237 Ų | 237 | 139.6 Ų | 139.6 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 135.7 | -179.3 | 167.2 | -174.2 | -74.4 | -137 | 3.1 | 111.5 | ||
| 205 | P | 44.4 | Very low | 37.4 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 157.2 | 168 | -14.5 | 30.8 | 0 | 0 | 0 | 114.3 | ||
| 206 | P | 43.8 | Very low | 37.5 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 165.4 | -177.1 | 35.3 | -36.8 | 0 | 0 | 0 | 114.4 | ||
| 207 | P | 42.2 | Very low | 37.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 156.1 | 178.5 | 36.3 | -35.4 | 0 | 0 | 0 | 113.8 | ||
| 208 | P | 38.7 | Very low | 37.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 149.2 | 169.7 | 35.4 | -33 | 0 | 0 | 0 | 113.1 | ||
| 209 | T | 39.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -113.4 | 161 | 173.3 | 43.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 210 | P | 41.3 | Very low | 37.1 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -91.5 | 157.5 | -154.7 | 35.3 | -37.2 | 0 | 0 | 0 | 115.6 | ||||
| 211 | H | 32.1 | Very low | 36.9 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -136 | 143.5 | 169.2 | -76.1 | -76 | 0 | 0 | 0 | 113.6 | ||||
| 212 | K | 30.3 | Very low | 36.5 | Very low | 200 Ų | 200 | 126 Ų | 126 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -144.7 | 162.8 | 166.8 | -142.1 | -172.4 | 175.1 | -179.1 | 0 | 104.3 | ||||
| 213 | P | 44.9 | Very low | 36.2 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -132.1 | -176.9 | 0.1 | 43.1 | -27.1 | 0 | 0 | 0 | 114.5 | ||||
| 214 | A | 27.9 | Very low | 36.2 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 151.1 | 154.3 | 121.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 215 | A | 29 | Very low | 36.6 | Very low | 105 Ų | 105 | 121 Ų | 121 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | 69.7 | 150.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 216 | S | 32.5 | Very low | 36.1 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -125 | 176.7 | 178.9 | -46.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 217 | P | 41.6 | Very low | 35.8 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | -143.6 | 147.9 | 121.2 | 33.5 | -17.7 | 0 | 0 | 0 | 116.6 | |||||
| 218 | S | 29.7 | Very low | 35.2 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | 15.2 | 116.9 | 148.9 | 58.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 219 | S | 32.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | 80.1 | 148.7 | 82.5 | 89.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 220 | S | 32.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | cis | -150 | -167.3 | 2.4 | 64.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 221 | S | 36 | Very low | 34.1 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -165.3 | 172.6 | 5 | 50.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 222 | S | 35.7 | Very low | 34.9 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | cis | -160.6 | -163 | -21 | 50.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 223 | S | 32 | Very low | 35 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | cis | -162.2 | 149 | 6.5 | 54.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 224 | S | 34.4 | Very low | 34.4 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -143 | 154.5 | 168.2 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 225 | P | 47.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | -114.3 | 166.1 | 167.8 | 38.4 | -28.3 | 0 | 0 | 0 | 113.6 | ||||
| 226 | S | 33.7 | Very low | 34.5 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -132.1 | -170.8 | -173 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 227 | E | 39.3 | Very low | 34.4 | Very low | 187 Ų | 187 | 121.7 Ų | 121.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -60.9 | 172.6 | -168.5 | -52.8 | 173.3 | 116.7 | 0 | 0 | 117.9 | ||||
| 228 | L | 29.2 | Very low | 33.8 | Very low | 177 Ų | 177 | 120.7 Ų | 120.7 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -139.8 | 155 | 154.1 | -107 | 169.9 | 0 | 0 | 0 | 110.2 | ||||
| 229 | S | 35.2 | Very low | 33.8 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -118.3 | 167.4 | -166.4 | -37 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 230 | E | 28.9 | Very low | 33.5 | Very low | 198 Ų | 198 | 124 Ų | 124 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -169.2 | 165.7 | 132.7 | -111.8 | 175.3 | 171.4 | 0 | 0 | 113.7 | ||||
| 231 | A | 32.1 | Very low | 33.3 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -143.7 | 175 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 232 | P | 49.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | -159.1 | 164.2 | 104.1 | 39.8 | -21.2 | 0 | 0 | 0 | 118.5 | |||||
| 233 | A | 31.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 60.6 | 149.8 | 142.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 234 | S | 33.5 | Very low | 32.1 | Very low | 95 Ų | 95 | 123 Ų | 123 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | cis | -172.7 | 148.3 | -15.3 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 235 | D | 29.9 | Very low | 31.8 | Very low | 167 Ų | 167 | 120.6 Ų | 120.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | 59 | 150.9 | 149.6 | -59.2 | -12.3 | 0 | 0 | 0 | 124.2 | ||||
| 236 | G | 28.4 | Very low | 30.9 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | 138.8 | 103.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 237 | S | 30.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -105.7 | 157.1 | -176.3 | 173.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 238 | S | 29.8 | Very low | 30.3 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 85 | 121.8 | 144.2 | 26.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 239 | Q | 28.8 | Very low | 31.1 | Very low | 193 Ų | 193 | 115.9 Ų | 115.9 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | 75.8 | 146.4 | 135.7 | -75.2 | -168.6 | -23.2 | 0 | 0 | 124.4 | ||||
| 240 | A | 27.9 | Very low | 30.8 | Very low | 89 Ų | 89 | 118 Ų | 118 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 88.9 | 96.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 241 | S | 27.1 | Very low | 30.8 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | 71.6 | 123.3 | 119.8 | -57.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 242 | A | 26.8 | Very low | 30.6 | Very low | 89 Ų | 89 | 115.5 Ų | 115.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 84.7 | 137.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 243 | S | 26 | Very low | 29.5 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 44.9 | 122.8 | 157.1 | 51.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 244 | G | 26.1 | Very low | 29.3 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | cis | 100.3 | 141.9 | 41.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 245 | G | 26.8 | Very low | 28.9 | Very low | 67 Ų | 67 | 120.6 Ų | 120.6 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | -168.5 | -120.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 246 | S | 29 | Very low | 28.7 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 75.1 | 139 | 174.1 | 84 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 247 | D | 28.8 | Very low | 28.7 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | cis | -166.1 | -178.9 | -16.8 | -124.2 | -55.3 | 0 | 0 | 0 | 113.4 | ||||
| 248 | Q | 32.3 | Very low | 28.4 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 92.9 | 144.4 | 158 | -58.8 | -136.2 | -20.8 | 0 | 0 | 118.8 | ||||
| 249 | P | 44.5 | Very low | 28.3 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 57% | 0.571 | 79% | 0.785 | S | S | * | * | -147.1 | -175.7 | -77.9 | 33.7 | -9.9 | 0 | 0 | 0 | 116.2 | |||||
| 250 | N | 29.8 | Very low | 28.2 | Very low | 148 Ų | 148 | 115.5 Ų | 115.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 69.2 | 150.5 | 142 | -77 | 7.9 | 0 | 0 | 0 | 121.4 | ||||
| 251 | D | 28.3 | Very low | 28.1 | Very low | 143 Ų | 143 | 116.5 Ų | 116.5 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | cis | -166 | 164.6 | -18.9 | -169.1 | 19 | 0 | 0 | 0 | 111.5 | ||||
| 252 | A | 27.6 | Very low | 28.1 | Very low | 88 Ų | 88 | 116 Ų | 116 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 52.1 | 139.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 253 | G | 26.7 | Very low | 28.1 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 142.6 | 56.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 254 | A | 26.6 | Very low | 27.9 | Very low | 98 Ų | 98 | 120.5 Ų | 120.5 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | 78.4 | 115.9 | 74.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 255 | R | 26.4 | Very low | 27.9 | Very low | 243 Ų | 243 | 121.1 Ų | 121.1 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | 78.2 | 96.4 | 154.3 | -65.6 | -176.3 | 171.4 | -177.8 | -2.4 | 122.2 | ||||
| 256 | A | 26 | Very low | 27.8 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | 65.5 | 118.5 | 114.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 257 | A | 26.4 | Very low | 27.5 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -154.6 | 138.1 | 121.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 258 | T | 25.7 | Very low | 27.9 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -39.7 | 160.6 | 162.6 | 29.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 259 | A | 27 | Very low | 27.7 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | cis | -164.2 | 152.4 | 12 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 260 | V | 25.7 | Very low | 27.2 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | 51.8 | 119.5 | 133 | -175.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 261 | S | 27.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | cis | 85.5 | 102.9 | 27.4 | -46.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 262 | S | 26.6 | Very low | 26.7 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -170.7 | 138.2 | 154.6 | 51.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 263 | Q | 26.2 | Very low | 26.5 | Very low | 168 Ų | 168 | 119.4 Ų | 119.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | cis | -151.9 | 119.4 | -2.1 | -107.6 | 161 | 22.9 | 0 | 0 | 107.8 | ||||
| 264 | T | 22.6 | Very low | 26.6 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | 59 | 123.2 | 106.4 | 61.1 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 265 | A | 26.1 | Very low | 26.5 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -101.4 | 166.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 266 | S | 23.4 | Very low | 26.4 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -165.8 | 155.2 | 145.5 | 43.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 267 | A | 23.7 | Very low | 26.2 | Very low | 94 Ų | 94 | 117 Ų | 117 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -100.2 | -161.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 268 | P | 36.8 | Very low | 26.6 | Very low | 116 Ų | 116 | 118 Ų | 118 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | -144.2 | -179.7 | 7.5 | 44.8 | -24.6 | 0 | 0 | 0 | 118.4 | ||||
| 269 | K | 28.5 | Very low | 26.5 | Very low | 196 Ų | 196 | 115.5 Ų | 115.5 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 2.4 | 150.6 | 143 | -79.2 | 178.8 | -179.3 | 178.9 | 0 | 119.4 | ||||
| 270 | P | 32.7 | Very low | 26.3 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | cis | -137.6 | -176.4 | 48.4 | 40.7 | -22.9 | 0 | 0 | 0 | 116.6 | ||||
| 271 | G | 24.5 | Very low | 26.3 | Very low | 81 Ų | 81 | 119.7 Ų | 119.7 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -133.3 | 179.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 272 | G | 24.8 | Very low | 26.2 | Very low | 85 Ų | 85 | 119.3 Ų | 119.3 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | -142.6 | 159.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 273 | A | 23.4 | Very low | 26.2 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -135.9 | 163.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 274 | V | 27.8 | Very low | 26.3 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | 167.5 | 113.9 | 132.8 | 155.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 275 | T | 24.2 | Very low | 26.6 | Very low | 131 Ų | 131 | 123.2 Ų | 123.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 22.2 | 131.3 | 155.1 | 62.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 276 | A | 24 | Very low | 26.8 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | -160.9 | 156.6 | 127.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 277 | A | 22.7 | Very low | 27 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -157.9 | 171.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 278 | P | 33.8 | Very low | 27.6 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | cis | -136.7 | -177 | 5.3 | 43.7 | -26.5 | 0 | 0 | 0 | 116.3 | ||||
| 279 | A | 24 | Very low | 27.7 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 60.8 | 119.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 280 | T | 22.8 | Very low | 28.4 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | -165.8 | 154.1 | 110 | 13.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 281 | T | 25.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | -107.1 | 148.8 | -176.6 | 35.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 282 | A | 26.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -143.5 | 140.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 283 | T | 26.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 122 Ų | 122 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -102.1 | 146.3 | -170.6 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 284 | P | 28.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | trans | -78.7 | 168.3 | 167.1 | 33.6 | -33.4 | 0 | 0 | 0 | 112 | ||||
| 285 | R | 28 | Very low | 37 | Very low | 245 Ų | 245 | 114 Ų | 114 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | trans | -106.8 | 159.8 | -171.7 | -68.7 | 178.3 | 174.1 | 173 | -3.3 | 113.4 | ||||
| 286 | V | 29.6 | Very low | 39.2 | Very low | 92 Ų | 92 | 112.6 Ų | 112.6 | 56% | 0.558 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 146.5 | -174.7 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | V302 | V286-V302 HydrophobicContact CG1-CG2 4.18Å; V286-V302 HydrophobicContact CG2-CG1 4.14Å; V286-V302 HydrophobicContact CG2-CG2 4.21Å |
| 287 | N | 27.8 | Very low | 41.5 | Very low | 144 Ų | 144 | 109.2 Ų | 109.2 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 160.7 | 176 | -91.8 | -11 | 0 | 0 | 0 | 112.9 | ||
| 288 | P | 36.1 | Very low | 44.1 | Very low | 127 Ų | 127 | 106.1 Ų | 106.1 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 165.3 | -163.7 | 29.5 | -36.3 | 0 | 0 | 0 | 116.5 | ||
| 289 | I | 40.4 | Very low | 46.4 | Very low | 104 Ų | 104 | 104 Ų | 104 | 53% | 0.533 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -103.2 | 150.4 | -159.4 | -62.3 | 161.5 | 0 | 0 | 0 | 113 | N291 | I289-N291 PolarHBondContact O-N 2.65Å; I289-N291 PolarHBondContact O-OD1 2.93Å |
| 290 | S | 41.9 | Very low | 49.3 | Very low | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 60% | 0.597 | S | S | . | * | trans | -86.4 | 93.9 | 172.5 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | T292 R322 | S290-T292 PolarHBondContact O-N 2.84Å; S290-R322 PolarHBondContact O-NH1 2.99Å; S290-R322 PolarHBondContact O-NH2 2.83Å; S290-R322 PolarHBondContact OG-NH1 2.97Å | ||
| 291 | N | 42.1 | Very low | 52.2 | Low | 152 Ų | 152 | 100 Ų | 100 | 81% | 0.813 | 57% | 0.572 | S | S | * | * | trans | -64 | 24.2 | -165.5 | -69.5 | -10.7 | 0 | 0 | 0 | 119.2 | I289 | I289-N291 PolarHBondContact O-N 2.65Å; I289-N291 PolarHBondContact O-OD1 2.93Å | ||
| 292 | T | 56.2 | Low | 54.9 | Low | 93 Ų | 93 | 95.5 Ų | 95.5 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -70.3 | 142.6 | 159.5 | 35.2 | 0 | 0 | 0 | 0 | 109.9 | S290 R322 | S290-T292 PolarHBondContact O-N 2.84Å; T292-R322 PolarHBondContact O-NH2 2.89Å; T292-R322 VanDerWaalsContact OG1-CZ 3.3Å; T292-R322 PolarHBondContact OG1-NH1 3.45Å; T292-R322 PolarHBondContact OG1-NH2 2.89Å; T292-R322 VanDerWaalsContact OG1-NH2 3.08Å |
| 293 | P | 67.4 | Low | 57.4 | Low | 124 Ų | 124 | 92.3 Ų | 92.3 | 81% | 0.805 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 143.4 | 174.9 | -23.7 | 34.5 | 0 | 0 | 0 | 111.9 | ||
| 294 | L | 73.2 | Confident | 59.4 | Low | 44 Ų | 44 | 95.4 Ų | 95.4 | 23% | 0.23 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 153.3 | 168.1 | -66.2 | 171.7 | 0 | 0 | 0 | 110.4 | W298 Q300 Y310 R322 P323 | L294-W298 HydrophobicContact CB-CB 4.19Å; L294-Q300 HydrophobicContact CD1-CB 3.96Å; L294-Y310 HydrophobicContact CD1-CD1 4.34Å; L294-Y310 HydrophobicContact CD2-CD1 3.96Å; L294-Y310 HydrophobicContact CD2-CE1 3.83Å; L294-R322 HydrophobicContact CD2-CG 4.36Å; L294-P323 HydrophobicContact CD2-CG 4.19Å |
| 295 | P | 75.9 | Confident | 61.3 | Low | 21 Ų | 21 | 95.9 Ų | 95.9 | 14% | 0.136 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 145 | 174.1 | -20.8 | 33 | 0 | 0 | 0 | 111.1 | G297 W298 P323 E324 | P295-G297 PolarHBondContact O-N 3.44Å; P295-W298 WeakPolarHBondContact O-CB 3.07Å; P295-W298 PolarHBondContact O-N 3.3Å; P295-P323 WeakPolarHBondContact CD-O 3.43Å; P295-P323 HydrophobicContact CG-CB 4.15Å; P295-P323 HydrophobicContact CG-CG 4.42Å; P295-P323 WeakPolarHBondContact CG-O 3.22Å; P295-E324 WeakPolarHBondContact CG-O 3.4Å |
| 296 | P | 71.3 | Confident | 63.2 | Low | 101 Ų | 101 | 86.4 Ų | 86.4 | 66% | 0.656 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 124.8 | -171.4 | -28.8 | 35.5 | 0 | 0 | 0 | 113.6 | R332 | P296-R332 VanDerWaalsContact O-CZ 3.24Å; P296-R332 PolarHBondContact O-NH1 2.9Å; P296-R332 PolarHBondContact O-NH2 3.1Å |
| 297 | G | 70.8 | Confident | 65 | Low | 33 Ų | 33 | 89.9 Ų | 89.9 | 34% | 0.34 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P295 H313 | P295-G297 PolarHBondContact O-N 3.44Å; G297-H313 WeakPolarHBondContact O-CB 3.33Å; G297-H313 PolarHBondContact O-N 3.1Å |
| 298 | W | 77.9 | Confident | 67.4 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 12% | 0.121 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.7 | 168.8 | -73.9 | 85.9 | 0 | 0 | 0 | 111.6 | L294 P295 V311 D312 T319 P323 | L294-W298 HydrophobicContact CB-CB 4.19Å; P295-W298 WeakPolarHBondContact O-CB 3.07Å; P295-W298 PolarHBondContact O-N 3.3Å; W298-V311 WeakPolarHBondContact CA-O 3.22Å; W298-D312 HydrophobicContact CD2-CB 4.03Å; W298-D312 VanDerWaalsContact CE2-OD2 3.32Å; W298-D312 HydrophobicContact CE3-CB 3.97Å; W298-D312 HydrophobicContact CH2-CB 3.86Å; W298-D312 HydrophobicContact CZ2-CB 3.87Å; W298-D312 WeakPolarHBondContact CZ2-OD2 3.49Å; W298-D312 HydrophobicContact CZ3-CB 3.89Å; W298-D312 PolarHBondContact NE1-OD2 3.05Å; W298-T319 HydrophobicContact CH2-CG2 3.74Å; W298-T319 HydrophobicContact CZ3-CG2 3.72Å; W298-P323 HydrophobicContact CB-CG 3.97Å; W298-P323 HydrophobicContact CD2-CB 3.59Å; W298-P323 HydrophobicContact CD2-CG 3.51Å; W298-P323 HydrophobicContact CE3-CB 3.99Å; W298-P323 HydrophobicContact CE3-CG 3.68Å; W298-P323 HydrophobicContact CG-CB 3.96Å; W298-P323 HydrophobicContact CG-CG 3.68Å; W298-P323 HydrophobicContact CH2-CB 4.14Å; W298-P323 HydrophobicContact CZ2-CB 3.8Å; W298-P323 HydrophobicContact CZ3-CB 4.24Å; W298-P323 HydrophobicContact CZ3-CG 4.24Å |
| 299 | E | 82.7 | Confident | 69.3 | Low | 77 Ų | 77 | 81.9 Ų | 81.9 | 36% | 0.36 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135 | 173.1 | -179.7 | -175.4 | -150.3 | 0 | 0 | 109.7 | R301 Y310 V311 H313 | E299-R301 HydrophobicContact CG-CG 4.18Å; E299-R301 IonicContact OE1-NE 2.69Å; E299-R301 IonicContact OE2-CZ 3.27Å; E299-R301 IonicContact OE2-NE 3.68Å; E299-R301 PolarHBondContact OE2-NE 3.08Å; E299-R301 IonicContact OE2-NH2 3.08Å; E299-R301 PolarHBondContact OE2-NH2 2.91Å; E299-Y310 WeakPolarHBondContact O-CA 3.47Å; E299-V311 PolarHBondContact N-O 3.22Å; E299-V311 PolarHBondContact O-N 2.91Å; E299-H313 WeakPolarHBondContact CB-NE2 3.27Å; E299-H313 IonicContact OE2-CD2 2.74Å; E299-H313 IonicContact OE2-CE1 2.73Å; E299-H313 PolarHBondContact OE2-CE1 3.12Å; E299-H313 IonicContact OE2-NE2 3.16Å; E299-H313 PolarHBondContact OE2-NE2 2.9Å |
| 300 | Q | 84.6 | Confident | 71.4 | Confident | 51 Ų | 51 | 78 Ų | 78 | 24% | 0.238 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.6 | 167.7 | -175.2 | 176.6 | -43.6 | 0 | 0 | 109.7 | L294 V308 Y310 | L294-Q300 HydrophobicContact CD1-CB 3.96Å; Q300-V308 HydrophobicContact CG-CG1 3.48Å; Q300-V308 VanDerWaalsContact CG-CG1 3.48Å; Q300-Y310 HydrophobicContact CB-CD1 3.94Å; Q300-Y310 HydrophobicContact CB-CE1 3.77Å; Q300-Y310 HydrophobicContact CG-CD1 4.08Å; Q300-Y310 HydrophobicContact CG-CE1 3.61Å; Q300-Y310 PolarHBondContact OE1-OH 3.13Å |
| 301 | R | 82.9 | Confident | 72.9 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 175.6 | 172.4 | -66.9 | -162.1 | -174.3 | 177.6 | -3.2 | 111.1 | E299 V308 Y309 V311 H313 | E299-R301 HydrophobicContact CG-CG 4.18Å; E299-R301 IonicContact OE1-NE 2.69Å; E299-R301 IonicContact OE2-CZ 3.27Å; E299-R301 IonicContact OE2-NE 3.68Å; E299-R301 PolarHBondContact OE2-NE 3.08Å; E299-R301 IonicContact OE2-NH2 3.08Å; E299-R301 PolarHBondContact OE2-NH2 2.91Å; R301-V308 WeakPolarHBondContact O-CA 3.2Å; R301-Y309 CarbonylContact C-O 3.52Å; R301-Y309 HydrophobicContact CB-CD1 3.99Å; R301-Y309 HydrophobicContact CB-CD2 4.44Å; R301-Y309 HydrophobicContact CB-CE1 3.51Å; R301-Y309 HydrophobicContact CB-CE2 4.05Å; R301-Y309 HydrophobicContact CB-CG 4.43Å; R301-Y309 PolarHBondContact N-O 2.87Å; R301-Y309 PolarHBondContact O-N 3.35Å; R301-Y309 VanDerWaalsContact O-O 3.1Å; R301-V311 HydrophobicContact CB-CG2 4.21Å; R301-V311 HydrophobicContact CG-CG2 3.76Å; R301-H313 PolarHBondContact NH2-CE1 3.18Å |
| 302 | V | 82.7 | Confident | 74.6 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.5 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | V286 G306 R307 V308 | V286-V302 HydrophobicContact CG1-CG2 4.18Å; V286-V302 HydrophobicContact CG2-CG1 4.14Å; V286-V302 HydrophobicContact CG2-CG2 4.21Å; V302-G306 VanDerWaalsContact CG1-CA 3.49Å; V302-R307 CarbonylContact C-O 3.58Å; V302-R307 VanDerWaalsContact CA-O 3.3Å; V302-R307 WeakPolarHBondContact CA-O 3.38Å; V302-V308 HydrophobicContact CG2-CG2 4.44Å |
| 303 | D | 78.9 | Confident | 75.3 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | trans | -77.3 | 178.9 | 180 | 88.7 | -24.4 | 0 | 0 | 0 | 112.2 | N305 G306 R307 Y309 W320 | D303-N305 PolarHBondContact O-N 3.23Å; D303-N305 VanDerWaalsContact O-N 3.13Å; D303-N305 VanDerWaalsContact OD1-C 3.27Å; D303-N305 VanDerWaalsContact OD1-CA 3.28Å; D303-N305 WeakPolarHBondContact OD1-CA 3.16Å; D303-N305 WeakPolarHBondContact OD1-CB 3.16Å; D303-N305 PolarHBondContact OD1-N 3.33Å; D303-N305 PolarHBondContact OD2-ND2 2.92Å; D303-G306 PolarHBondContact O-N 2.84Å; D303-G306 PolarHBondContact OD1-N 3.28Å; D303-R307 PolarHBondContact N-O 3.46Å; D303-R307 WeakPolarHBondContact OD1-CB 3.37Å; D303-R307 PolarHBondContact OD1-N 2.91Å; D303-Y309 HydrophobicContact CB-CD1 4.15Å; D303-Y309 HydrophobicContact CB-CE1 4.19Å; D303-W320 HydrophobicContact CB-CH2 4.26Å; D303-W320 HydrophobicContact CB-CZ3 4.49Å | ||
| 304 | Q | 67.7 | Low | 75.2 | Confident | 196 Ų | 196 | 64.6 Ų | 64.6 | 92% | 0.916 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.5 | 179 | -59.2 | -177.1 | 24.6 | 0 | 0 | 113.5 | ||
| 305 | N | 69.7 | Low | 74.7 | Confident | 126 Ų | 126 | 66 Ų | 66 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 2.8 | -179.3 | -51.7 | -64.8 | 0 | 0 | 0 | 112.9 | D303 | D303-N305 PolarHBondContact O-N 3.23Å; D303-N305 VanDerWaalsContact O-N 3.13Å; D303-N305 VanDerWaalsContact OD1-C 3.27Å; D303-N305 VanDerWaalsContact OD1-CA 3.28Å; D303-N305 WeakPolarHBondContact OD1-CA 3.16Å; D303-N305 WeakPolarHBondContact OD1-CB 3.16Å; D303-N305 PolarHBondContact OD1-N 3.33Å; D303-N305 PolarHBondContact OD2-ND2 2.92Å |
| 306 | G | 66.8 | Low | 74.5 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 84.6 | 7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V302 D303 | V302-G306 VanDerWaalsContact CG1-CA 3.49Å; D303-G306 PolarHBondContact O-N 2.84Å; D303-G306 PolarHBondContact OD1-N 3.28Å |
| 307 | R | 69.1 | Low | 74.4 | Confident | 164 Ų | 164 | 72.6 Ų | 72.6 | 62% | 0.619 | 35% | 0.353 | S | S | * | . | trans | -81.4 | 133 | 177 | -62.8 | -179.5 | 174.6 | -165.6 | -1.7 | 110.7 | V302 D303 W320 | V302-R307 CarbonylContact C-O 3.58Å; V302-R307 VanDerWaalsContact CA-O 3.3Å; V302-R307 WeakPolarHBondContact CA-O 3.38Å; D303-R307 PolarHBondContact N-O 3.46Å; D303-R307 WeakPolarHBondContact OD1-CB 3.37Å; D303-R307 PolarHBondContact OD1-N 2.91Å; R307-W320 HydrophobicContact CB-CE3 4.36Å; R307-W320 HydrophobicContact CB-CH2 4.49Å; R307-W320 HydrophobicContact CB-CZ3 3.66Å | ||
| 308 | V | 77.4 | Confident | 74.6 | Confident | 53 Ų | 53 | 75.5 Ų | 75.5 | 32% | 0.321 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 110 | Q300 R301 V302 Y310 | Q300-V308 HydrophobicContact CG-CG1 3.48Å; Q300-V308 VanDerWaalsContact CG-CG1 3.48Å; R301-V308 WeakPolarHBondContact O-CA 3.2Å; V302-V308 HydrophobicContact CG2-CG2 4.44Å; V308-Y310 HydrophobicContact CG1-CE1 4.35Å; V308-Y310 HydrophobicContact CG1-CE2 3.97Å |
| 309 | Y | 76.7 | Confident | 74 | Confident | 51 Ų | 51 | 76 Ų | 76 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 151.6 | 169.8 | 74 | -81.4 | 0 | 0 | 0 | 110.3 | R301 D303 V311 T318 T319 | R301-Y309 CarbonylContact C-O 3.52Å; R301-Y309 HydrophobicContact CB-CD1 3.99Å; R301-Y309 HydrophobicContact CB-CD2 4.44Å; R301-Y309 HydrophobicContact CB-CE1 3.51Å; R301-Y309 HydrophobicContact CB-CE2 4.05Å; R301-Y309 HydrophobicContact CB-CG 4.43Å; R301-Y309 PolarHBondContact N-O 2.87Å; R301-Y309 PolarHBondContact O-N 3.35Å; R301-Y309 VanDerWaalsContact O-O 3.1Å; D303-Y309 HydrophobicContact CB-CD1 4.15Å; D303-Y309 HydrophobicContact CB-CE1 4.19Å; Y309-V311 HydrophobicContact CD2-CG2 3.94Å; Y309-V311 HydrophobicContact CE2-CG2 3.48Å; Y309-V311 VanDerWaalsContact CE2-CG2 3.48Å; Y309-T318 HydrophobicContact CD2-CG2 4.06Å; Y309-T318 HydrophobicContact CE2-CG2 3.86Å; Y309-T319 CarbonylContact C-O 3.53Å |
| 310 | Y | 83.6 | Confident | 73.6 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.3 | -175.6 | -60.1 | -83.2 | 0 | 0 | 0 | 110.1 | L294 E299 Q300 V308 T318 T319 D321 R322 P323 | L294-Y310 HydrophobicContact CD1-CD1 4.34Å; L294-Y310 HydrophobicContact CD2-CD1 3.96Å; L294-Y310 HydrophobicContact CD2-CE1 3.83Å; E299-Y310 WeakPolarHBondContact O-CA 3.47Å; Q300-Y310 HydrophobicContact CB-CD1 3.94Å; Q300-Y310 HydrophobicContact CB-CE1 3.77Å; Q300-Y310 HydrophobicContact CG-CD1 4.08Å; Q300-Y310 HydrophobicContact CG-CE1 3.61Å; Q300-Y310 PolarHBondContact OE1-OH 3.13Å; V308-Y310 HydrophobicContact CG1-CE1 4.35Å; V308-Y310 HydrophobicContact CG1-CE2 3.97Å; Y310-T318 WeakPolarHBondContact O-CA 3.15Å; Y310-T319 PolarHBondContact N-O 3.28Å; Y310-T319 PolarHBondContact O-N 2.76Å; Y310-D321 WeakPolarHBondContact CD2-O 3.36Å; Y310-R322 HydrophobicContact CD2-CB 4.41Å; Y310-R322 HydrophobicContact CE1-CG 4.09Å; Y310-R322 HydrophobicContact CE2-CB 3.79Å; Y310-R322 HydrophobicContact CE2-CG 4.15Å; Y310-P323 HydrophobicContact CD1-CG 4.45Å; Y310-P323 VanDerWaalsContact CG-CD 3.5Å; Y310-P323 HydrophobicContact CG-CG 4.43Å |
| 311 | V | 74.3 | Confident | 73 | Confident | 15 Ų | 15 | 82.8 Ų | 82.8 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.7 | -179.8 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | W298 E299 R301 Y309 H313 T318 | W298-V311 WeakPolarHBondContact CA-O 3.22Å; E299-V311 PolarHBondContact N-O 3.22Å; E299-V311 PolarHBondContact O-N 2.91Å; R301-V311 HydrophobicContact CB-CG2 4.21Å; R301-V311 HydrophobicContact CG-CG2 3.76Å; Y309-V311 HydrophobicContact CD2-CG2 3.94Å; Y309-V311 HydrophobicContact CE2-CG2 3.48Å; Y309-V311 VanDerWaalsContact CE2-CG2 3.48Å; V311-H313 PolarHBondContact O-N 2.88Å; V311-T318 HydrophobicContact CG2-CG2 4.1Å |
| 312 | D | 77.2 | Confident | 72.6 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 104.9 | 168.9 | -165.3 | -39.3 | 0 | 0 | 0 | 108.3 | W298 I314 E315 K316 R317 | W298-D312 HydrophobicContact CD2-CB 4.03Å; W298-D312 VanDerWaalsContact CE2-OD2 3.32Å; W298-D312 HydrophobicContact CE3-CB 3.97Å; W298-D312 HydrophobicContact CH2-CB 3.86Å; W298-D312 HydrophobicContact CZ2-CB 3.87Å; W298-D312 WeakPolarHBondContact CZ2-OD2 3.49Å; W298-D312 HydrophobicContact CZ3-CB 3.89Å; W298-D312 PolarHBondContact NE1-OD2 3.05Å; D312-I314 PolarHBondContact O-N 3.3Å; D312-I314 WeakPolarHBondContact OD1-CA 3.33Å; D312-I314 PolarHBondContact OD1-N 3.39Å; D312-E315 HydrophobicContact CB-CB 4.37Å; D312-E315 PolarHBondContact OD1-N 3.14Å; D312-K316 WeakPolarHBondContact O-CA 3.47Å; D312-K316 PolarHBondContact O-N 3.2Å; D312-R317 HydrophobicContact CB-CG 3.56Å; D312-R317 PolarHBondContact N-O 2.85Å; D312-R317 IonicContact OD2-CZ 2.89Å; D312-R317 IonicContact OD2-NE 2.86Å; D312-R317 PolarHBondContact OD2-NE 3.01Å; D312-R317 IonicContact OD2-NH2 2.89Å; D312-R317 PolarHBondContact OD2-NH2 3.13Å |
| 313 | H | 70.4 | Confident | 72 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.4 | 179.9 | -81.2 | -91.6 | 0 | 0 | 0 | 113.7 | G297 E299 R301 V311 K316 | G297-H313 WeakPolarHBondContact O-CB 3.33Å; G297-H313 PolarHBondContact O-N 3.1Å; E299-H313 WeakPolarHBondContact CB-NE2 3.27Å; E299-H313 IonicContact OE2-CD2 2.74Å; E299-H313 IonicContact OE2-CE1 2.73Å; E299-H313 PolarHBondContact OE2-CE1 3.12Å; E299-H313 IonicContact OE2-NE2 3.16Å; E299-H313 PolarHBondContact OE2-NE2 2.9Å; R301-H313 PolarHBondContact NH2-CE1 3.18Å; V311-H313 PolarHBondContact O-N 2.88Å; H313-K316 WeakPolarHBondContact O-CD 3.41Å; H313-K316 VanDerWaalsContact O-CE 3.3Å; H313-K316 WeakPolarHBondContact O-CE 3.35Å; H313-K316 PolarHBondContact O-NZ 3.28Å |
| 314 | I | 64.6 | Low | 71.7 | Confident | 67 Ų | 67 | 84.3 Ų | 84.3 | 34% | 0.344 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -51.5 | -173.6 | -64.8 | 170.2 | 0 | 0 | 0 | 109.3 | D312 K316 R332 V340 | D312-I314 PolarHBondContact O-N 3.3Å; D312-I314 WeakPolarHBondContact OD1-CA 3.33Å; D312-I314 PolarHBondContact OD1-N 3.39Å; I314-K316 VanDerWaalsContact C-N 3.27Å; I314-K316 PolarHBondContact O-N 2.91Å; I314-R332 VanDerWaalsContact CD1-CZ 3.42Å; I314-R332 VanDerWaalsContact CD1-NH2 3.27Å; I314-V340 HydrophobicContact CG2-CG2 3.57Å |
| 315 | E | 63.1 | Low | 72.3 | Confident | 74 Ų | 74 | 79.9 Ų | 79.9 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.1 | 173 | -65.5 | 180 | -128.8 | 0 | 0 | 113.3 | D312 R317 V340 Y342 | D312-E315 HydrophobicContact CB-CB 4.37Å; D312-E315 PolarHBondContact OD1-N 3.14Å; E315-R317 HydrophobicContact CB-CG 4.18Å; E315-R317 VanDerWaalsContact CD-CZ 3.43Å; E315-R317 PolarHBondContact O-N 2.95Å; E315-R317 VanDerWaalsContact O-N 3.11Å; E315-R317 IonicContact OE1-CZ 2.71Å; E315-R317 IonicContact OE1-NH1 2.71Å; E315-R317 IonicContact OE1-NH2 2.98Å; E315-R317 PolarHBondContact OE1-NH2 2.82Å; E315-R317 IonicContact OE2-CZ 3.21Å; E315-R317 IonicContact OE2-NE 3.4Å; E315-R317 IonicContact OE2-NH1 3.42Å; E315-R317 PolarHBondContact OE2-NH1 3.46Å; E315-R317 IonicContact OE2-NH2 3.28Å; E315-R317 PolarHBondContact OE2-NH2 2.8Å; E315-V340 HydrophobicContact CG-CG2 4.27Å; E315-Y342 PolarHBondContact OE1-OH 3.37Å |
| 316 | K | 71.4 | Confident | 72.9 | Confident | 165 Ų | 165 | 76.2 Ų | 76.2 | 72% | 0.717 | 37% | 0.374 | S | S | * | . | trans | 58.7 | 19.1 | 177 | -54.7 | -55.7 | -174.5 | -170.7 | 0 | 115.6 | D312 H313 I314 | D312-K316 WeakPolarHBondContact O-CA 3.47Å; D312-K316 PolarHBondContact O-N 3.2Å; H313-K316 WeakPolarHBondContact O-CD 3.41Å; H313-K316 VanDerWaalsContact O-CE 3.3Å; H313-K316 WeakPolarHBondContact O-CE 3.35Å; H313-K316 PolarHBondContact O-NZ 3.28Å; I314-K316 VanDerWaalsContact C-N 3.27Å; I314-K316 PolarHBondContact O-N 2.91Å | ||
| 317 | R | 70.3 | Confident | 73.9 | Confident | 94 Ų | 94 | 74.7 Ų | 74.7 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | trans | -96.2 | 170.3 | 177.8 | 63.3 | 166.9 | 176.1 | -130 | -22.3 | 113 | D312 E315 | D312-R317 HydrophobicContact CB-CG 3.56Å; D312-R317 PolarHBondContact N-O 2.85Å; D312-R317 IonicContact OD2-CZ 2.89Å; D312-R317 IonicContact OD2-NE 2.86Å; D312-R317 PolarHBondContact OD2-NE 3.01Å; D312-R317 IonicContact OD2-NH2 2.89Å; D312-R317 PolarHBondContact OD2-NH2 3.13Å; E315-R317 HydrophobicContact CB-CG 4.18Å; E315-R317 VanDerWaalsContact CD-CZ 3.43Å; E315-R317 PolarHBondContact O-N 2.95Å; E315-R317 VanDerWaalsContact O-N 3.11Å; E315-R317 IonicContact OE1-CZ 2.71Å; E315-R317 IonicContact OE1-NH1 2.71Å; E315-R317 IonicContact OE1-NH2 2.98Å; E315-R317 PolarHBondContact OE1-NH2 2.82Å; E315-R317 IonicContact OE2-CZ 3.21Å; E315-R317 IonicContact OE2-NE 3.4Å; E315-R317 IonicContact OE2-NH1 3.42Å; E315-R317 PolarHBondContact OE2-NH1 3.46Å; E315-R317 IonicContact OE2-NH2 3.28Å; E315-R317 PolarHBondContact OE2-NH2 2.8Å | ||
| 318 | T | 73.6 | Confident | 74.7 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.9 | 171.7 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | Y309 Y310 V311 | Y309-T318 HydrophobicContact CD2-CG2 4.06Å; Y309-T318 HydrophobicContact CE2-CG2 3.86Å; Y310-T318 WeakPolarHBondContact O-CA 3.15Å; V311-T318 HydrophobicContact CG2-CG2 4.1Å |
| 319 | T | 66.2 | Low | 75.1 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 157.5 | 170.2 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | W298 Y309 Y310 D321 | W298-T319 HydrophobicContact CH2-CG2 3.74Å; W298-T319 HydrophobicContact CZ3-CG2 3.72Å; Y309-T319 CarbonylContact C-O 3.53Å; Y310-T319 PolarHBondContact N-O 3.28Å; Y310-T319 PolarHBondContact O-N 2.76Å; T319-D321 WeakPolarHBondContact CG2-O 3.43Å; T319-D321 PolarHBondContact OG1-N 2.95Å |
| 320 | W | 74.4 | Confident | 75.7 | Confident | 146 Ų | 146 | 70 Ų | 70 | 55% | 0.553 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -81 | -26.5 | 172.6 | -57.7 | 100.7 | 0 | 0 | 0 | 111.8 | D303 R307 | D303-W320 HydrophobicContact CB-CH2 4.26Å; D303-W320 HydrophobicContact CB-CZ3 4.49Å; R307-W320 HydrophobicContact CB-CE3 4.36Å; R307-W320 HydrophobicContact CB-CH2 4.49Å; R307-W320 HydrophobicContact CB-CZ3 3.66Å |
| 321 | D | 71.2 | Confident | 75.9 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 66% | 0.663 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -80.9 | 146.3 | -178.3 | -62.4 | -65.2 | 0 | 0 | 0 | 112.6 | Y310 T319 P323 | Y310-D321 WeakPolarHBondContact CD2-O 3.36Å; T319-D321 WeakPolarHBondContact CG2-O 3.43Å; T319-D321 PolarHBondContact OG1-N 2.95Å; D321-P323 WeakPolarHBondContact O-CD 3.47Å |
| 322 | R | 74.7 | Confident | 76.4 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 30% | 0.302 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 124.4 | -178 | -171.1 | 175.2 | -176.2 | 174.4 | 4.6 | 110.9 | S290 T292 L294 Y310 E324 | S290-R322 PolarHBondContact O-NH1 2.99Å; S290-R322 PolarHBondContact O-NH2 2.83Å; S290-R322 PolarHBondContact OG-NH1 2.97Å; T292-R322 PolarHBondContact O-NH2 2.89Å; T292-R322 VanDerWaalsContact OG1-CZ 3.3Å; T292-R322 PolarHBondContact OG1-NH1 3.45Å; T292-R322 PolarHBondContact OG1-NH2 2.89Å; T292-R322 VanDerWaalsContact OG1-NH2 3.08Å; L294-R322 HydrophobicContact CD2-CG 4.36Å; Y310-R322 HydrophobicContact CD2-CB 4.41Å; Y310-R322 HydrophobicContact CE1-CG 4.09Å; Y310-R322 HydrophobicContact CE2-CB 3.79Å; Y310-R322 HydrophobicContact CE2-CG 4.15Å; R322-E324 PolarHBondContact O-N 3.29Å |
| 323 | P | 70.5 | Confident | 76.9 | Confident | 16 Ų | 16 | 79.2 Ų | 79.2 | 10% | 0.104 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 121.3 | 179.7 | 28.8 | -38 | 0 | 0 | 0 | 111.5 | L294 P295 W298 Y310 D321 | L294-P323 HydrophobicContact CD2-CG 4.19Å; P295-P323 WeakPolarHBondContact CD-O 3.43Å; P295-P323 HydrophobicContact CG-CB 4.15Å; P295-P323 HydrophobicContact CG-CG 4.42Å; P295-P323 WeakPolarHBondContact CG-O 3.22Å; W298-P323 HydrophobicContact CB-CG 3.97Å; W298-P323 HydrophobicContact CD2-CB 3.59Å; W298-P323 HydrophobicContact CD2-CG 3.51Å; W298-P323 HydrophobicContact CE3-CB 3.99Å; W298-P323 HydrophobicContact CE3-CG 3.68Å; W298-P323 HydrophobicContact CG-CB 3.96Å; W298-P323 HydrophobicContact CG-CG 3.68Å; W298-P323 HydrophobicContact CH2-CB 4.14Å; W298-P323 HydrophobicContact CZ2-CB 3.8Å; W298-P323 HydrophobicContact CZ3-CB 4.24Å; W298-P323 HydrophobicContact CZ3-CG 4.24Å; Y310-P323 HydrophobicContact CD1-CG 4.45Å; Y310-P323 VanDerWaalsContact CG-CD 3.5Å; Y310-P323 HydrophobicContact CG-CG 4.43Å; D321-P323 WeakPolarHBondContact O-CD 3.47Å |
| 324 | E | 73.8 | Confident | 77.4 | Confident | 123 Ų | 123 | 79.4 Ų | 79.4 | 58% | 0.575 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 155.8 | 175.9 | -66.6 | -174.3 | 141.9 | 0 | 0 | 112.7 | P295 R322 R354 | P295-E324 WeakPolarHBondContact CG-O 3.4Å; R322-E324 PolarHBondContact O-N 3.29Å; E324-R354 PolarHBondContact O-NH2 3.36Å |
| 325 | P | 78.7 | Confident | 78.3 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 66% | 0.662 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 164.3 | 164 | 29.7 | -36.5 | 0 | 0 | 0 | 111.7 | R354 | P325-R354 PolarHBondContact O-NH2 2.98Š|
| 326 | L | 83 | Confident | 79.4 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 153.3 | 168.3 | -61.3 | 176.7 | 0 | 0 | 0 | 110.1 | W330 R332 Y342 R354 P355 | L326-W330 HydrophobicContact CB-CB 4.15Å; L326-R332 HydrophobicContact CD1-CB 4.13Å; L326-Y342 HydrophobicContact CD1-CD1 4.02Å; L326-Y342 HydrophobicContact CD1-CE1 4.22Å; L326-Y342 HydrophobicContact CD2-CD1 4.01Å; L326-Y342 HydrophobicContact CD2-CE1 3.82Å; L326-R354 HydrophobicContact CD2-CG 3.86Å; L326-P355 HydrophobicContact CD2-CG 4.2Å |
| 327 | P | 88.3 | Confident | 79.9 | Confident | 14 Ų | 14 | 79.6 Ų | 79.6 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 155.8 | 172.2 | -21.1 | 33.3 | 0 | 0 | 0 | 112.2 | G329 W330 P355 V360 | P327-G329 PolarHBondContact O-N 3.32Å; P327-W330 WeakPolarHBondContact O-CB 3.3Å; P327-W330 PolarHBondContact O-N 3.14Å; P327-W330 VanDerWaalsContact O-N 3.13Å; P327-P355 WeakPolarHBondContact CD-O 3.41Å; P327-P355 HydrophobicContact CG-CB 4.36Å; P327-V360 HydrophobicContact CB-CG2 4.07Å; P327-V360 HydrophobicContact CG-CG2 4Å |
| 328 | T | 86 | Confident | 80.2 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 76% | 0.755 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 135.8 | -179.5 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | W330 M346 | T328-W330 VanDerWaalsContact C-N 3.33Å; T328-M346 WeakPolarHBondContact O-CE 3.3Å |
| 329 | G | 85.2 | Confident | 80.5 | Confident | 24 Ų | 24 | 77.1 Ų | 77.1 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -22.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P327 H345 | P327-G329 PolarHBondContact O-N 3.32Å; G329-H345 PolarHBondContact O-N 3.28Å |
| 330 | W | 88.8 | Confident | 81.2 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.3 | -175.2 | -69.8 | 86.1 | 0 | 0 | 0 | 114.2 | L326 P327 T328 V343 D344 T349 T351 P355 M574 | L326-W330 HydrophobicContact CB-CB 4.15Å; P327-W330 WeakPolarHBondContact O-CB 3.3Å; P327-W330 PolarHBondContact O-N 3.14Å; P327-W330 VanDerWaalsContact O-N 3.13Å; T328-W330 VanDerWaalsContact C-N 3.33Å; W330-V343 CarbonylContact C-O 3.58Å; W330-V343 WeakPolarHBondContact CA-O 3.35Å; W330-V343 VanDerWaalsContact CE3-C 3.47Å; W330-D344 HydrophobicContact CD2-CB 3.85Å; W330-D344 HydrophobicContact CE3-CB 4.07Å; W330-D344 HydrophobicContact CG-CB 4.41Å; W330-D344 HydrophobicContact CH2-CB 4.12Å; W330-D344 HydrophobicContact CZ2-CB 3.89Å; W330-D344 HydrophobicContact CZ3-CB 4.2Å; W330-T349 HydrophobicContact CH2-CG2 4.27Å; W330-T351 HydrophobicContact CH2-CG2 3.93Å; W330-T351 HydrophobicContact CZ3-CG2 3.81Å; W330-P355 HydrophobicContact CB-CG 4.03Å; W330-P355 HydrophobicContact CD2-CB 3.9Å; W330-P355 HydrophobicContact CD2-CG 3.62Å; W330-P355 HydrophobicContact CE3-CB 4.25Å; W330-P355 HydrophobicContact CE3-CG 3.75Å; W330-P355 HydrophobicContact CG-CB 4.23Å; W330-P355 HydrophobicContact CG-CG 3.77Å; W330-P355 HydrophobicContact CZ2-CB 4.36Å; W330-P355 HydrophobicContact CZ3-CG 4.44Å; W330-M574 HydrophobicContact CH2-CE 4.05Å; W330-M574 HydrophobicContact CH2-SD 3.66Å; W330-M574 HydrophobicContact CZ2-CE 3.91Å; W330-M574 HydrophobicContact CZ2-SD 4.15Å |
| 331 | E | 88.3 | Confident | 81.7 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137 | 172.2 | 179.8 | -177.2 | -145.2 | 0 | 0 | 110.1 | R333 Y342 V343 H345 | E331-R333 HydrophobicContact CG-CG 4.22Å; E331-R333 IonicContact OE2-CZ 2.71Å; E331-R333 IonicContact OE2-NE 3.34Å; E331-R333 PolarHBondContact OE2-NE 3.33Å; E331-R333 IonicContact OE2-NH2 3.89Å; E331-R333 PolarHBondContact OE2-NH2 3.27Å; E331-Y342 WeakPolarHBondContact O-CA 3.34Å; E331-V343 PolarHBondContact N-O 3.26Å; E331-V343 PolarHBondContact O-N 3.15Å; E331-H345 IonicContact OE2-CD2 3.83Å; E331-H345 IonicContact OE2-CE1 2.8Å; E331-H345 PolarHBondContact OE2-CE1 3.24Å; E331-H345 IonicContact OE2-NE2 3.19Å; E331-H345 PolarHBondContact OE2-NE2 2.91Å |
| 332 | R | 85.2 | Confident | 82.6 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 21% | 0.211 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.4 | 166 | -174.1 | -166.3 | 62.3 | -141.3 | -16 | 110 | P296 I314 L326 V340 Y342 | P296-R332 VanDerWaalsContact O-CZ 3.24Å; P296-R332 PolarHBondContact O-NH1 2.9Å; P296-R332 PolarHBondContact O-NH2 3.1Å; I314-R332 VanDerWaalsContact CD1-CZ 3.42Å; I314-R332 VanDerWaalsContact CD1-NH2 3.27Å; L326-R332 HydrophobicContact CD1-CB 4.13Å; R332-V340 HydrophobicContact CG-CG1 3.54Å; R332-Y342 HydrophobicContact CB-CD1 3.82Å; R332-Y342 HydrophobicContact CB-CE1 3.65Å; R332-Y342 HydrophobicContact CG-CD1 4.02Å; R332-Y342 HydrophobicContact CG-CE1 3.57Å |
| 333 | R | 86.9 | Confident | 83.3 | Confident | 95 Ų | 95 | 63.2 Ų | 63.2 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 171.8 | 173.2 | -64.7 | -167.8 | 179.1 | -179.8 | -4.9 | 111.7 | E331 Y341 V343 H345 | E331-R333 HydrophobicContact CG-CG 4.22Å; E331-R333 IonicContact OE2-CZ 2.71Å; E331-R333 IonicContact OE2-NE 3.34Å; E331-R333 PolarHBondContact OE2-NE 3.33Å; E331-R333 IonicContact OE2-NH2 3.89Å; E331-R333 PolarHBondContact OE2-NH2 3.27Å; R333-Y341 HydrophobicContact CB-CD1 4.08Å; R333-Y341 HydrophobicContact CB-CD2 4.33Å; R333-Y341 HydrophobicContact CB-CE1 3.57Å; R333-Y341 HydrophobicContact CB-CE2 3.86Å; R333-Y341 HydrophobicContact CB-CG 4.43Å; R333-Y341 VanDerWaalsContact CB-CZ 3.44Å; R333-Y341 WeakPolarHBondContact CD-OH 3.49Å; R333-Y341 HydrophobicContact CG-CE2 4.49Å; R333-Y341 PolarHBondContact N-O 2.98Å; R333-Y341 PolarHBondContact O-N 2.91Å; R333-Y341 VanDerWaalsContact O-O 3.1Å; R333-V343 HydrophobicContact CG-CG2 4.14Å; R333-H345 PolarHBondContact NH2-CE1 2.77Å; R333-H345 VanDerWaalsContact NH2-CE1 3.26Å |
| 334 | V | 82.4 | Confident | 84.2 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.2 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | G338 R339 | V334-G338 VanDerWaalsContact CG1-C 3.48Å; V334-R339 CarbonylContact C-O 3.56Å; V334-R339 WeakPolarHBondContact CA-O 3.19Å |
| 335 | D | 83.4 | Confident | 84.8 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | trans | -87 | 174.1 | -179.4 | 86.8 | -13 | 0 | 0 | 0 | 112.2 | M337 G338 R339 Y341 | D335-M337 PolarHBondContact O-N 3.02Å; D335-M337 VanDerWaalsContact OD1-CA 3.3Å; D335-M337 WeakPolarHBondContact OD1-CA 3.03Å; D335-M337 WeakPolarHBondContact OD1-CB 3.3Å; D335-M337 PolarHBondContact OD1-N 2.98Å; D335-G338 PolarHBondContact O-N 3.25Å; D335-G338 PolarHBondContact OD1-N 2.67Å; D335-R339 PolarHBondContact N-O 3.34Å; D335-R339 WeakPolarHBondContact OD1-CB 3.27Å; D335-R339 PolarHBondContact OD1-N 2.82Å; D335-R339 IonicContact OD1-NE 3.32Å; D335-R339 IonicContact OD2-CZ 2.77Å; D335-R339 IonicContact OD2-NE 3.35Å; D335-R339 PolarHBondContact OD2-NE 2.86Å; D335-R339 IonicContact OD2-NH2 3.8Å; D335-R339 PolarHBondContact OD2-NH2 3.33Å; D335-Y341 HydrophobicContact CB-CD1 4.08Å; D335-Y341 HydrophobicContact CB-CE1 3.92Å | ||
| 336 | P | 86.3 | Confident | 85.2 | Confident | 142 Ų | 142 | 61.5 Ų | 61.5 | 92% | 0.922 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -9.4 | 178.3 | -24 | 35.6 | 0 | 0 | 0 | 115.4 | ||
| 337 | M | 81.8 | Confident | 85.2 | Confident | 146 Ų | 146 | 62 Ų | 62 | 72% | 0.719 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0.6 | 176.9 | -63 | 167.5 | 165.1 | 0 | 0 | 112.1 | D335 R339 | D335-M337 PolarHBondContact O-N 3.02Å; D335-M337 VanDerWaalsContact OD1-CA 3.3Å; D335-M337 WeakPolarHBondContact OD1-CA 3.03Å; D335-M337 WeakPolarHBondContact OD1-CB 3.3Å; D335-M337 PolarHBondContact OD1-N 2.98Å; M337-R339 HydrophobicContact CB-CG 4.18Å; M337-R339 VanDerWaalsContact SD-CZ 3.56Å |
| 338 | G | 76 | Confident | 85.2 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 57% | 0.567 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 83.5 | 7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V334 D335 | V334-G338 VanDerWaalsContact CG1-C 3.48Å; D335-G338 PolarHBondContact O-N 3.25Å; D335-G338 PolarHBondContact OD1-N 2.67Å |
| 339 | R | 79.9 | Confident | 85.1 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 30% | 0.302 | 33% | 0.333 | S | S | . | . | trans | -82.7 | 138 | -178.7 | -54.9 | 178.9 | -63.4 | 175.7 | 9.8 | 110.3 | V334 D335 M337 W352 P598 D599 | V334-R339 CarbonylContact C-O 3.56Å; V334-R339 WeakPolarHBondContact CA-O 3.19Å; D335-R339 PolarHBondContact N-O 3.34Å; D335-R339 WeakPolarHBondContact OD1-CB 3.27Å; D335-R339 PolarHBondContact OD1-N 2.82Å; D335-R339 IonicContact OD1-NE 3.32Å; D335-R339 IonicContact OD2-CZ 2.77Å; D335-R339 IonicContact OD2-NE 3.35Å; D335-R339 PolarHBondContact OD2-NE 2.86Å; D335-R339 IonicContact OD2-NH2 3.8Å; D335-R339 PolarHBondContact OD2-NH2 3.33Å; M337-R339 HydrophobicContact CB-CG 4.18Å; M337-R339 VanDerWaalsContact SD-CZ 3.56Å; R339-W352 HydrophobicContact CB-CH2 4.45Å; R339-W352 HydrophobicContact CB-CZ3 3.8Å; R339-P598 VanDerWaalsContact NH1-CB 3.29Å; R339-D599 IonicContact NH1-OD2 3.97Å | ||
| 340 | V | 80.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 136.4 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | I314 E315 R332 Y342 | I314-V340 HydrophobicContact CG2-CG2 3.57Å; E315-V340 HydrophobicContact CG-CG2 4.27Å; R332-V340 HydrophobicContact CG-CG1 3.54Å; V340-Y342 HydrophobicContact CG1-CE2 3.82Å |
| 341 | Y | 85.1 | Confident | 85.2 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 169 | 167.7 | 70.6 | -80.3 | 0 | 0 | 0 | 110.5 | R333 D335 V343 | R333-Y341 HydrophobicContact CB-CD1 4.08Å; R333-Y341 HydrophobicContact CB-CD2 4.33Å; R333-Y341 HydrophobicContact CB-CE1 3.57Å; R333-Y341 HydrophobicContact CB-CE2 3.86Å; R333-Y341 HydrophobicContact CB-CG 4.43Å; R333-Y341 VanDerWaalsContact CB-CZ 3.44Å; R333-Y341 WeakPolarHBondContact CD-OH 3.49Å; R333-Y341 HydrophobicContact CG-CE2 4.49Å; R333-Y341 PolarHBondContact N-O 2.98Å; R333-Y341 PolarHBondContact O-N 2.91Å; R333-Y341 VanDerWaalsContact O-O 3.1Å; D335-Y341 HydrophobicContact CB-CD1 4.08Å; D335-Y341 HydrophobicContact CB-CE1 3.92Å; Y341-V343 HydrophobicContact CD2-CG2 3.75Å; Y341-V343 HydrophobicContact CE2-CG2 3.36Å |
| 342 | Y | 89.8 | Confident | 85.1 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.5 | -175.6 | -57.9 | -90.5 | 0 | 0 | 0 | 110.6 | E315 L326 E331 R332 V340 T350 T351 Q353 R354 P355 | E315-Y342 PolarHBondContact OE1-OH 3.37Å; L326-Y342 HydrophobicContact CD1-CD1 4.02Å; L326-Y342 HydrophobicContact CD1-CE1 4.22Å; L326-Y342 HydrophobicContact CD2-CD1 4.01Å; L326-Y342 HydrophobicContact CD2-CE1 3.82Å; E331-Y342 WeakPolarHBondContact O-CA 3.34Å; R332-Y342 HydrophobicContact CB-CD1 3.82Å; R332-Y342 HydrophobicContact CB-CE1 3.65Å; R332-Y342 HydrophobicContact CG-CD1 4.02Å; R332-Y342 HydrophobicContact CG-CE1 3.57Å; V340-Y342 HydrophobicContact CG1-CE2 3.82Å; Y342-T350 CarbonylContact O-C 3.57Å; Y342-T350 VanDerWaalsContact O-CA 3.23Å; Y342-T350 WeakPolarHBondContact O-CA 3.46Å; Y342-T351 PolarHBondContact N-O 3.38Å; Y342-T351 PolarHBondContact O-N 3.47Å; Y342-Q353 VanDerWaalsContact CD2-O 3.28Å; Y342-Q353 WeakPolarHBondContact CD2-O 3.24Å; Y342-R354 HydrophobicContact CE1-CB 4.28Å; Y342-R354 HydrophobicContact CE1-CG 4.01Å; Y342-R354 VanDerWaalsContact CE2-CA 3.44Å; Y342-R354 HydrophobicContact CE2-CB 3.87Å; Y342-P355 HydrophobicContact CD1-CG 4.37Å; Y342-P355 VanDerWaalsContact CG-CD 3.46Å; Y342-P355 HydrophobicContact CG-CG 4.39Å |
| 343 | V | 89.3 | Confident | 85 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 124.8 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | W330 E331 R333 Y341 T349 T350 | W330-V343 CarbonylContact C-O 3.58Å; W330-V343 WeakPolarHBondContact CA-O 3.35Å; W330-V343 VanDerWaalsContact CE3-C 3.47Å; E331-V343 PolarHBondContact N-O 3.26Å; E331-V343 PolarHBondContact O-N 3.15Å; R333-V343 HydrophobicContact CG-CG2 4.14Å; Y341-V343 HydrophobicContact CD2-CG2 3.75Å; Y341-V343 HydrophobicContact CE2-CG2 3.36Å; V343-T349 WeakPolarHBondContact CA-O 3.4Å; V343-T350 HydrophobicContact CB-CG2 4.39Å; V343-T350 HydrophobicContact CG1-CG2 4.2Å; V343-T350 HydrophobicContact CG2-CG2 3.89Å |
| 344 | D | 89.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.4 | 165 | 177.2 | 23.8 | 0 | 0 | 0 | 110.1 | W330 M346 T347 R348 T349 | W330-D344 HydrophobicContact CD2-CB 3.85Å; W330-D344 HydrophobicContact CE3-CB 4.07Å; W330-D344 HydrophobicContact CG-CB 4.41Å; W330-D344 HydrophobicContact CH2-CB 4.12Å; W330-D344 HydrophobicContact CZ2-CB 3.89Å; W330-D344 HydrophobicContact CZ3-CB 4.2Å; D344-M346 VanDerWaalsContact C-N 3.31Å; D344-M346 WeakPolarHBondContact OD1-CB 3.36Å; D344-M346 WeakPolarHBondContact OD1-CG 3.41Å; D344-M346 PolarHBondContact OD1-N 3.42Å; D344-T347 VanDerWaalsContact OD2-CB 3.27Å; D344-T347 WeakPolarHBondContact OD2-CB 3.06Å; D344-T347 WeakPolarHBondContact OD2-CG2 3.31Å; D344-T347 PolarHBondContact OD2-N 3.07Å; D344-T347 PolarHBondContact OD2-OG1 2.89Å; D344-R348 WeakPolarHBondContact O-CA 3.45Å; D344-R348 PolarHBondContact O-N 3.31Å; D344-R348 VanDerWaalsContact O-N 3.09Å; D344-T349 PolarHBondContact N-O 3.4Å |
| 345 | H | 86.9 | Confident | 85 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.8 | 175.4 | -76.3 | -97.4 | 0 | 0 | 0 | 113.8 | G329 E331 R333 R348 | G329-H345 PolarHBondContact O-N 3.28Å; E331-H345 IonicContact OE2-CD2 3.83Å; E331-H345 IonicContact OE2-CE1 2.8Å; E331-H345 PolarHBondContact OE2-CE1 3.24Å; E331-H345 IonicContact OE2-NE2 3.19Å; E331-H345 PolarHBondContact OE2-NE2 2.91Å; R333-H345 PolarHBondContact NH2-CE1 2.77Å; R333-H345 VanDerWaalsContact NH2-CE1 3.26Å; H345-R348 PolarHBondContact ND1-NH1 2.82Å; H345-R348 VanDerWaalsContact O-CZ 3.22Å; H345-R348 PolarHBondContact O-NE 3.36Å; H345-R348 PolarHBondContact O-NH1 2.75Å |
| 346 | M | 86.4 | Confident | 85 | Confident | 127 Ų | 127 | 62.4 Ų | 62.4 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -59.3 | -177.5 | -52.9 | -174.5 | -60 | 0 | 0 | 111 | T328 D344 | T328-M346 WeakPolarHBondContact O-CE 3.3Å; D344-M346 VanDerWaalsContact C-N 3.31Å; D344-M346 WeakPolarHBondContact OD1-CB 3.36Å; D344-M346 WeakPolarHBondContact OD1-CG 3.41Å; D344-M346 PolarHBondContact OD1-N 3.42Å |
| 347 | T | 83.6 | Confident | 84.8 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -14.3 | 179.5 | 60.8 | 0 | 0 | 0 | 0 | 114 | D344 T349 | D344-T347 VanDerWaalsContact OD2-CB 3.27Å; D344-T347 WeakPolarHBondContact OD2-CB 3.06Å; D344-T347 WeakPolarHBondContact OD2-CG2 3.31Å; D344-T347 PolarHBondContact OD2-N 3.07Å; D344-T347 PolarHBondContact OD2-OG1 2.89Å; T347-T349 PolarHBondContact O-N 2.85Å; T347-T349 VanDerWaalsContact OG1-CB 3.28Å; T347-T349 WeakPolarHBondContact OG1-CB 3.49Å; T347-T349 PolarHBondContact OG1-N 3.37Å; T347-T349 PolarHBondContact OG1-OG1 2.85Å |
| 348 | R | 86.5 | Confident | 84.7 | Confident | 176 Ų | 176 | 60.5 Ų | 60.5 | 66% | 0.664 | 30% | 0.298 | S | S | * | . | trans | 65.1 | 12.7 | -169.4 | -54.3 | -57.4 | -174.1 | -172.9 | -5 | 114.8 | D344 H345 | D344-R348 WeakPolarHBondContact O-CA 3.45Å; D344-R348 PolarHBondContact O-N 3.31Å; D344-R348 VanDerWaalsContact O-N 3.09Å; H345-R348 PolarHBondContact ND1-NH1 2.82Å; H345-R348 VanDerWaalsContact O-CZ 3.22Å; H345-R348 PolarHBondContact O-NE 3.36Å; H345-R348 PolarHBondContact O-NH1 2.75Å | ||
| 349 | T | 85.3 | Confident | 85 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | trans | -69.9 | 149 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | W330 V343 D344 T347 Y363 M574 | W330-T349 HydrophobicContact CH2-CG2 4.27Å; V343-T349 WeakPolarHBondContact CA-O 3.4Å; D344-T349 PolarHBondContact N-O 3.4Å; T347-T349 PolarHBondContact O-N 2.85Å; T347-T349 VanDerWaalsContact OG1-CB 3.28Å; T347-T349 WeakPolarHBondContact OG1-CB 3.49Å; T347-T349 PolarHBondContact OG1-N 3.37Å; T347-T349 PolarHBondContact OG1-OG1 2.85Å; T349-Y363 HydrophobicContact CG2-CE1 4.14Å; T349-Y363 HydrophobicContact CG2-CE2 4.49Å; T349-Y363 PolarHBondContact OG1-OH 2.88Å; T349-M574 HydrophobicContact CG2-CB 4.02Å; T349-M574 HydrophobicContact CG2-CG 3.62Å; T349-M574 HydrophobicContact CG2-SD 4.07Å | ||
| 350 | T | 88.3 | Confident | 85.2 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.4 | 172.5 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | Y342 V343 | Y342-T350 CarbonylContact O-C 3.57Å; Y342-T350 VanDerWaalsContact O-CA 3.23Å; Y342-T350 WeakPolarHBondContact O-CA 3.46Å; V343-T350 HydrophobicContact CB-CG2 4.39Å; V343-T350 HydrophobicContact CG1-CG2 4.2Å; V343-T350 HydrophobicContact CG2-CG2 3.89Å |
| 351 | T | 87.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 160.3 | 170.9 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | W330 Y342 Q353 M574 C576 | W330-T351 HydrophobicContact CH2-CG2 3.93Å; W330-T351 HydrophobicContact CZ3-CG2 3.81Å; Y342-T351 PolarHBondContact N-O 3.38Å; Y342-T351 PolarHBondContact O-N 3.47Å; T351-Q353 VanDerWaalsContact CG2-O 3.25Å; T351-Q353 WeakPolarHBondContact CG2-O 3.43Å; T351-Q353 PolarHBondContact OG1-N 3.43Å; T351-M574 VanDerWaalsContact CB-O 3.26Å; T351-M574 WeakPolarHBondContact CB-O 3.17Å; T351-M574 HydrophobicContact CG2-SD 3.65Å; T351-M574 PolarHBondContact OG1-O 3.24Å; T351-C576 PolarHBondContact OG1-SG 3.27Å |
| 352 | W | 84.9 | Confident | 85.2 | Confident | 55 Ų | 55 | 61 Ų | 61 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -88.4 | -24.1 | 173.4 | -63.3 | 97.8 | 0 | 0 | 0 | 112.7 | R339 I596 N597 P598 | R339-W352 HydrophobicContact CB-CH2 4.45Å; R339-W352 HydrophobicContact CB-CZ3 3.8Å; W352-I596 WeakPolarHBondContact CB-O 3.42Å; W352-N597 HydrophobicContact CG-CB 4.38Å; W352-P598 VanDerWaalsContact CD2-CD 3.45Å; W352-P598 HydrophobicContact CD2-CG 4.09Å; W352-P598 HydrophobicContact CE3-CG 4.21Å; W352-P598 HydrophobicContact CH2-CG 4.03Å; W352-P598 HydrophobicContact CZ2-CG 3.86Å; W352-P598 HydrophobicContact CZ3-CG 4.2Å |
| 353 | Q | 83.6 | Confident | 84.9 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -77.7 | 139.9 | 176.7 | -174.8 | 171.5 | 10.5 | 0 | 0 | 111.1 | Y342 T351 P355 I596 | Y342-Q353 VanDerWaalsContact CD2-O 3.28Å; Y342-Q353 WeakPolarHBondContact CD2-O 3.24Å; T351-Q353 VanDerWaalsContact CG2-O 3.25Å; T351-Q353 WeakPolarHBondContact CG2-O 3.43Å; T351-Q353 PolarHBondContact OG1-N 3.43Å; Q353-P355 VanDerWaalsContact O-CD 3.3Å; Q353-P355 WeakPolarHBondContact O-CD 3.4Å; Q353-I596 HydrophobicContact CB-CD1 3.96Å; Q353-I596 HydrophobicContact CB-CG2 4.43Å; Q353-I596 HydrophobicContact CG-CD1 4.08Å |
| 354 | R | 84.2 | Confident | 84.7 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 22% | 0.223 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 117.5 | 173.2 | -177.8 | -176.8 | 166.1 | -76.6 | -5.7 | 109.4 | E324 P325 L326 Y342 | E324-R354 PolarHBondContact O-NH2 3.36Å; P325-R354 PolarHBondContact O-NH2 2.98Å; L326-R354 HydrophobicContact CD2-CG 3.86Å; Y342-R354 HydrophobicContact CE1-CB 4.28Å; Y342-R354 HydrophobicContact CE1-CG 4.01Å; Y342-R354 VanDerWaalsContact CE2-CA 3.44Å; Y342-R354 HydrophobicContact CE2-CB 3.87Å |
| 355 | P | 84.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 141.1 | -177.7 | 28.4 | -36.1 | 0 | 0 | 0 | 111.2 | L326 P327 W330 Y342 Q353 S359 V360 | L326-P355 HydrophobicContact CD2-CG 4.2Å; P327-P355 WeakPolarHBondContact CD-O 3.41Å; P327-P355 HydrophobicContact CG-CB 4.36Å; W330-P355 HydrophobicContact CB-CG 4.03Å; W330-P355 HydrophobicContact CD2-CB 3.9Å; W330-P355 HydrophobicContact CD2-CG 3.62Å; W330-P355 HydrophobicContact CE3-CB 4.25Å; W330-P355 HydrophobicContact CE3-CG 3.75Å; W330-P355 HydrophobicContact CG-CB 4.23Å; W330-P355 HydrophobicContact CG-CG 3.77Å; W330-P355 HydrophobicContact CZ2-CB 4.36Å; W330-P355 HydrophobicContact CZ3-CG 4.44Å; Y342-P355 HydrophobicContact CD1-CG 4.37Å; Y342-P355 VanDerWaalsContact CG-CD 3.46Å; Y342-P355 HydrophobicContact CG-CG 4.39Å; Q353-P355 VanDerWaalsContact O-CD 3.3Å; Q353-P355 WeakPolarHBondContact O-CD 3.4Å; P355-S359 WeakPolarHBondContact CA-OG 3.34Å; P355-V360 HydrophobicContact CB-CG2 4.37Å |
| 356 | T | 84.7 | Confident | 84 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | trans | -118.8 | 166.6 | 172.9 | 71.1 | 0 | 0 | 0 | 0 | 109.6 | E358 S359 V360 | T356-E358 PolarHBondContact O-N 3.2Å; T356-E358 VanDerWaalsContact O-N 3.12Å; T356-E358 PolarHBondContact OG1-N 2.99Å; T356-S359 PolarHBondContact N-OG 3.19Å; T356-S359 PolarHBondContact O-N 3.01Å; T356-S359 PolarHBondContact O-OG 3.48Å; T356-S359 PolarHBondContact OG1-N 3.37Å; T356-V360 WeakPolarHBondContact O-CG2 3.46Å; T356-V360 PolarHBondContact O-N 2.97Å | ||
| 357 | Q | 80.9 | Confident | 83.7 | Confident | 111 Ų | 111 | 64.6 Ų | 64.6 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -14.8 | 174.8 | -163.8 | 58.5 | 63.2 | 0 | 0 | 112.9 | R361 | Q357-R361 WeakPolarHBondContact O-CG 3.29Å; Q357-R361 PolarHBondContact O-NE 2.81Å |
| 358 | E | 80.3 | Confident | 83.5 | Confident | 137 Ų | 137 | 66.3 Ų | 66.3 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -85.9 | -47.2 | 172.4 | -176.9 | 168.1 | -127.6 | 0 | 0 | 112.1 | T356 V360 R361 N362 | T356-E358 PolarHBondContact O-N 3.2Å; T356-E358 VanDerWaalsContact O-N 3.12Å; T356-E358 PolarHBondContact OG1-N 2.99Å; E358-V360 PolarHBondContact O-N 3.1Å; E358-R361 PolarHBondContact O-N 3.28Å; E358-R361 VanDerWaalsContact O-N 3.16Å; E358-N362 PolarHBondContact O-N 2.82Å |
| 359 | S | 81.1 | Confident | 82.9 | Confident | 28 Ų | 28 | 62 Ų | 62 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -30.8 | 178.2 | 76.2 | 0 | 0 | 0 | 0 | 112.4 | P355 T356 Y363 | P355-S359 WeakPolarHBondContact CA-OG 3.34Å; T356-S359 PolarHBondContact N-OG 3.19Å; T356-S359 PolarHBondContact O-N 3.01Å; T356-S359 PolarHBondContact O-OG 3.48Å; T356-S359 PolarHBondContact OG1-N 3.37Å; S359-Y363 WeakPolarHBondContact O-CB 3.47Å; S359-Y363 PolarHBondContact O-N 3.37Å; S359-Y363 VanDerWaalsContact O-N 3.13Å |
| 360 | V | 85.4 | Confident | 82.4 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | P327 P355 T356 E358 N362 Y363 E364 | P327-V360 HydrophobicContact CB-CG2 4.07Å; P327-V360 HydrophobicContact CG-CG2 4Å; P355-V360 HydrophobicContact CB-CG2 4.37Å; T356-V360 WeakPolarHBondContact O-CG2 3.46Å; T356-V360 PolarHBondContact O-N 2.97Å; E358-V360 PolarHBondContact O-N 3.1Å; V360-N362 PolarHBondContact O-N 2.81Å; V360-Y363 WeakPolarHBondContact O-CB 3.37Å; V360-Y363 PolarHBondContact O-N 2.95Å; V360-E364 HydrophobicContact CG1-CG 4.41Å; V360-E364 WeakPolarHBondContact O-CG 3.37Å; V360-E364 PolarHBondContact O-N 3.43Å |
| 361 | R | 84.3 | Confident | 81.5 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.3 | -76.3 | 179.9 | -65.6 | 155.1 | 8 | 112.5 | Q357 E358 Y363 E364 E365 | Q357-R361 WeakPolarHBondContact O-CG 3.29Å; Q357-R361 PolarHBondContact O-NE 2.81Å; E358-R361 PolarHBondContact O-N 3.28Å; E358-R361 VanDerWaalsContact O-N 3.16Å; R361-Y363 VanDerWaalsContact C-N 3.29Å; R361-Y363 PolarHBondContact O-N 2.92Å; R361-E364 PolarHBondContact O-N 2.84Å; R361-E365 WeakPolarHBondContact O-CG 3.42Å; R361-E365 PolarHBondContact O-N 3.49Å |
| 362 | N | 81.3 | Confident | 80.6 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 174.3 | -176.5 | -15.9 | 0 | 0 | 0 | 111.2 | E358 V360 E365 W366 | E358-N362 PolarHBondContact O-N 2.82Å; V360-N362 PolarHBondContact O-N 2.81Å; N362-E365 PolarHBondContact O-N 3.05Å; N362-W366 WeakPolarHBondContact O-CB 3.18Å; N362-W366 PolarHBondContact O-N 3.33Å |
| 363 | Y | 83.4 | Confident | 80 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 7% | 0.071 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 175.7 | -177 | -110.9 | 0 | 0 | 0 | 113.7 | T349 S359 V360 R361 W366 Q367 N572 M574 | T349-Y363 HydrophobicContact CG2-CE1 4.14Å; T349-Y363 HydrophobicContact CG2-CE2 4.49Å; T349-Y363 PolarHBondContact OG1-OH 2.88Å; S359-Y363 WeakPolarHBondContact O-CB 3.47Å; S359-Y363 PolarHBondContact O-N 3.37Å; S359-Y363 VanDerWaalsContact O-N 3.13Å; V360-Y363 WeakPolarHBondContact O-CB 3.37Å; V360-Y363 PolarHBondContact O-N 2.95Å; R361-Y363 VanDerWaalsContact C-N 3.29Å; R361-Y363 PolarHBondContact O-N 2.92Å; Y363-W366 HydrophobicContact CD2-CE3 4.15Å; Y363-W366 AromaticContact CE2-CE3 3.86Å; Y363-W366 HydrophobicContact CE2-CE3 3.86Å; Y363-W366 AromaticContact CE2-CZ3 3.99Å; Y363-W366 HydrophobicContact CE2-CZ3 3.99Å; Y363-W366 PolarHBondContact O-N 2.73Å; Y363-Q367 HydrophobicContact CD1-CG 4.41Å; Y363-Q367 HydrophobicContact CE1-CG 3.99Å; Y363-Q367 HydrophobicContact CE2-CG 4.26Å; Y363-Q367 WeakPolarHBondContact O-CB 3.42Å; Y363-Q367 WeakPolarHBondContact O-CG 3.35Å; Y363-Q367 PolarHBondContact O-N 3.01Å; Y363-Q367 PolarHBondContact OH-NE2 3.01Å; Y363-N572 VanDerWaalsContact CE2-OD1 3.31Å; Y363-N572 WeakPolarHBondContact CE2-OD1 3.38Å; Y363-M574 VanDerWaalsContact CB-CE 3.49Å; Y363-M574 HydrophobicContact CD1-CE 3.96Å; Y363-M574 HydrophobicContact CD2-CE 4.03Å; Y363-M574 HydrophobicContact CD2-CG 3.54Å; Y363-M574 HydrophobicContact CE2-CG 3.66Å; Y363-M574 HydrophobicContact CG-CE 3.55Å; Y363-M574 HydrophobicContact CG-CG 4.03Å |
| 364 | E | 84.7 | Confident | 79 | Confident | 92 Ų | 92 | 75.3 Ų | 75.3 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 172.6 | -71.2 | 167.2 | 167.5 | 0 | 0 | 111.2 | V360 R361 Q367 N368 | V360-E364 HydrophobicContact CG1-CG 4.41Å; V360-E364 WeakPolarHBondContact O-CG 3.37Å; V360-E364 PolarHBondContact O-N 3.43Å; R361-E364 PolarHBondContact O-N 2.84Å; E364-Q367 PolarHBondContact O-N 3.13Å; E364-N368 WeakPolarHBondContact O-CB 3.44Å; E364-N368 VanDerWaalsContact O-CG 3.28Å; E364-N368 PolarHBondContact O-N 2.96Å; E364-N368 PolarHBondContact O-ND2 3.13Å |
| 365 | E | 80.8 | Confident | 78.2 | Confident | 104 Ų | 104 | 74.6 Ų | 74.6 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.6 | -73.2 | 176.3 | -150 | 0 | 0 | 112 | R361 N362 N368 Q369 | R361-E365 WeakPolarHBondContact O-CG 3.42Å; R361-E365 PolarHBondContact O-N 3.49Å; N362-E365 PolarHBondContact O-N 3.05Å; E365-N368 PolarHBondContact O-N 2.77Å; E365-Q369 WeakPolarHBondContact O-CG 3.45Å; E365-Q369 PolarHBondContact O-N 3.17Å |
| 366 | W | 80.9 | Confident | 77.7 | Confident | 14 Ų | 14 | 75.1 Ų | 75.1 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.9 | -179.9 | 91.1 | 0 | 0 | 0 | 112.2 | N362 Y363 N368 Q369 R370 E569 N572 P573 | N362-W366 WeakPolarHBondContact O-CB 3.18Å; N362-W366 PolarHBondContact O-N 3.33Å; Y363-W366 HydrophobicContact CD2-CE3 4.15Å; Y363-W366 AromaticContact CE2-CE3 3.86Å; Y363-W366 HydrophobicContact CE2-CE3 3.86Å; Y363-W366 AromaticContact CE2-CZ3 3.99Å; Y363-W366 HydrophobicContact CE2-CZ3 3.99Å; Y363-W366 PolarHBondContact O-N 2.73Å; W366-N368 PolarHBondContact O-N 3.46Å; W366-Q369 PolarHBondContact O-N 3.27Å; W366-R370 WeakPolarHBondContact O-CB 3.03Å; W366-R370 PolarHBondContact O-N 2.88Å; W366-E569 WeakPolarHBondContact CH2-OE1 2.86Å; W366-N572 HydrophobicContact CH2-CB 3.68Å; W366-N572 HydrophobicContact CZ2-CB 3.66Å; W366-N572 HydrophobicContact CZ3-CB 4.28Å; W366-P573 HydrophobicContact CB-CG 4.38Å; W366-P573 HydrophobicContact CG-CG 4.34Å |
| 367 | Q | 81 | Confident | 77.5 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 173.5 | -78.8 | -164.4 | -13.4 | 0 | 0 | 112.1 | Y363 E364 R370 S371 | Y363-Q367 HydrophobicContact CD1-CG 4.41Å; Y363-Q367 HydrophobicContact CE1-CG 3.99Å; Y363-Q367 HydrophobicContact CE2-CG 4.26Å; Y363-Q367 WeakPolarHBondContact O-CB 3.42Å; Y363-Q367 WeakPolarHBondContact O-CG 3.35Å; Y363-Q367 PolarHBondContact O-N 3.01Å; Y363-Q367 PolarHBondContact OH-NE2 3.01Å; E364-Q367 PolarHBondContact O-N 3.13Å; Q367-R370 WeakPolarHBondContact O-CB 3.34Å; Q367-R370 PolarHBondContact O-N 2.95Å; Q367-S371 PolarHBondContact O-N 2.81Å |
| 368 | N | 79.3 | Confident | 77.3 | Confident | 97 Ų | 97 | 75.1 Ų | 75.1 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 177.3 | -78 | -49.4 | 0 | 0 | 0 | 111.5 | E364 E365 W366 S371 | E364-N368 WeakPolarHBondContact O-CB 3.44Å; E364-N368 VanDerWaalsContact O-CG 3.28Å; E364-N368 PolarHBondContact O-N 2.96Å; E364-N368 PolarHBondContact O-ND2 3.13Å; E365-N368 PolarHBondContact O-N 2.77Å; W366-N368 PolarHBondContact O-N 3.46Å; N368-S371 WeakPolarHBondContact O-CB 3.46Å; N368-S371 PolarHBondContact O-N 2.84Å; N368-S371 PolarHBondContact O-OG 3.01Å |
| 369 | Q | 73.4 | Confident | 77.2 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 171.4 | -68.7 | 172 | 39.9 | 0 | 0 | 111.3 | E365 W366 S371 Q372 N585 | E365-Q369 WeakPolarHBondContact O-CG 3.45Å; E365-Q369 PolarHBondContact O-N 3.17Å; W366-Q369 PolarHBondContact O-N 3.27Å; Q369-S371 PolarHBondContact O-N 3.22Å; Q369-Q372 PolarHBondContact O-N 3.19Å; Q369-N585 PolarHBondContact NE2-ND2 3.28Å |
| 370 | R | 74.6 | Confident | 77.3 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 33% | 0.328 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.7 | -36.3 | 176 | -177.6 | -176.2 | 170.2 | 162.2 | 10.3 | 112.6 | W366 Q367 Q372 L373 E569 | W366-R370 WeakPolarHBondContact O-CB 3.03Å; W366-R370 PolarHBondContact O-N 2.88Å; Q367-R370 WeakPolarHBondContact O-CB 3.34Å; Q367-R370 PolarHBondContact O-N 2.95Å; R370-Q372 PolarHBondContact O-N 3.34Å; R370-L373 HydrophobicContact CB-CD1 4.36Å; R370-L373 HydrophobicContact CG-CD1 3.97Å; R370-L373 WeakPolarHBondContact O-CB 3.42Å; R370-L373 VanDerWaalsContact O-CG 3.26Å; R370-L373 WeakPolarHBondContact O-CG 3.17Å; R370-L373 PolarHBondContact O-N 3.32Å; R370-E569 IonicContact CZ-OE1 2.76Å; R370-E569 IonicContact CZ-OE2 3.99Å; R370-E569 IonicContact NE-OE1 2.74Å; R370-E569 PolarHBondContact NE-OE1 3.24Å; R370-E569 IonicContact NH1-OE1 3.24Å; R370-E569 PolarHBondContact NH1-OE1 2.92Å; R370-E569 IonicContact NH1-OE2 2.73Å; R370-E569 PolarHBondContact NH1-OE2 3.34Å; R370-E569 IonicContact NH2-OE1 3.18Å; R370-E569 PolarHBondContact NH2-OE1 3.44Å; R370-E569 IonicContact NH2-OE2 2.65Å; R370-E569 PolarHBondContact NH2-OE2 3.1Å |
| 371 | S | 69.4 | Low | 77.2 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 58% | 0.58 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.2 | -26.9 | 177.9 | 80.4 | 0 | 0 | 0 | 0 | 113.5 | Q367 N368 Q369 | Q367-S371 PolarHBondContact O-N 2.81Å; N368-S371 WeakPolarHBondContact O-CB 3.46Å; N368-S371 PolarHBondContact O-N 2.84Å; N368-S371 PolarHBondContact O-OG 3.01Å; Q369-S371 PolarHBondContact O-N 3.22Å |
| 372 | Q | 70.3 | Confident | 77.1 | Confident | 142 Ų | 142 | 74 Ų | 74 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7 | -177.7 | -61.3 | 176 | 23.7 | 0 | 0 | 113 | Q369 R370 Q374 G375 | Q369-Q372 PolarHBondContact O-N 3.19Å; R370-Q372 PolarHBondContact O-N 3.34Å; Q372-Q374 PolarHBondContact O-N 3.02Å; Q372-G375 PolarHBondContact O-N 3.34Å |
| 373 | L | 71.1 | Confident | 77.3 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.8 | -20.1 | -176.3 | -66.6 | 177.5 | 0 | 0 | 0 | 114.3 | R370 G375 A376 M377 F564 H568 | R370-L373 HydrophobicContact CB-CD1 4.36Å; R370-L373 HydrophobicContact CG-CD1 3.97Å; R370-L373 WeakPolarHBondContact O-CB 3.42Å; R370-L373 VanDerWaalsContact O-CG 3.26Å; R370-L373 WeakPolarHBondContact O-CG 3.17Å; R370-L373 PolarHBondContact O-N 3.32Å; L373-G375 PolarHBondContact O-N 3.28Å; L373-A376 HydrophobicContact CD2-CB 4.33Å; L373-A376 PolarHBondContact O-N 3.38Å; L373-M377 WeakPolarHBondContact O-CB 3.13Å; L373-M377 PolarHBondContact O-N 3.22Å; L373-F564 HydrophobicContact CB-CE1 4.1Å; L373-F564 HydrophobicContact CB-CZ 4.23Å; L373-F564 HydrophobicContact CD2-CZ 4Å; L373-H568 HydrophobicContact CD1-CB 4.06Å; L373-H568 VanDerWaalsContact CD2-NE2 3.32Å; L373-H568 WeakPolarHBondContact CD2-NE2 3.32Å |
| 374 | Q | 63.6 | Low | 77.1 | Confident | 185 Ų | 185 | 73.2 Ų | 73.2 | 86% | 0.864 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.6 | -27.6 | 176.1 | -150.9 | 172.2 | 27.6 | 0 | 0 | 112.4 | Q372 | Q372-Q374 PolarHBondContact O-N 3.02Å |
| 375 | G | 67.1 | Low | 76.9 | Confident | 45 Ų | 45 | 69 Ų | 69 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -79.6 | -45.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q372 L373 M377 H378 | Q372-G375 PolarHBondContact O-N 3.34Å; L373-G375 PolarHBondContact O-N 3.28Å; G375-M377 VanDerWaalsContact C-N 3.26Å; G375-M377 PolarHBondContact O-N 2.82Å; G375-H378 PolarHBondContact O-N 2.78Å; G375-H378 VanDerWaalsContact O-N 3.14Å |
| 376 | A | 75.4 | Confident | 76.2 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L373 H378 Q379 F380 F564 V805 | L373-A376 HydrophobicContact CD2-CB 4.33Å; L373-A376 PolarHBondContact O-N 3.38Å; A376-H378 PolarHBondContact O-N 3.13Å; A376-H378 VanDerWaalsContact O-N 3.16Å; A376-Q379 PolarHBondContact O-N 3.25Å; A376-Q379 VanDerWaalsContact O-N 3.09Å; A376-F380 WeakPolarHBondContact O-CB 3.46Å; A376-F380 PolarHBondContact O-N 2.97Å; A376-F564 HydrophobicContact CB-CZ 4.19Å; A376-V805 HydrophobicContact CB-CG2 3.91Å |
| 377 | M | 80.1 | Confident | 75 | Confident | 29 Ų | 29 | 68 Ų | 68 | 14% | 0.143 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.1 | -27.7 | 178.8 | -175.4 | 51.2 | 171.9 | 0 | 0 | 113.2 | L373 G375 F380 N381 E561 F564 | L373-M377 WeakPolarHBondContact O-CB 3.13Å; L373-M377 PolarHBondContact O-N 3.22Å; G375-M377 VanDerWaalsContact C-N 3.26Å; G375-M377 PolarHBondContact O-N 2.82Å; M377-F380 HydrophobicContact SD-CB 4.4Å; M377-F380 HydrophobicContact SD-CD1 3.82Å; M377-F380 HydrophobicContact SD-CG 4.49Å; M377-N381 WeakPolarHBondContact CE-ND2 3.41Å; M377-N381 PolarHBondContact O-N 2.67Å; M377-N381 VanDerWaalsContact O-N 3.09Å; M377-N381 PolarHBondContact O-ND2 3.26Å; M377-N381 PolarHBondContact SD-ND2 2.84Å; M377-E561 VanDerWaalsContact CE-CA 3.43Å; M377-E561 HydrophobicContact CE-CB 3.59Å; M377-E561 HydrophobicContact CE-CG 3.99Å; M377-F564 HydrophobicContact CB-CD1 4.34Å; M377-F564 HydrophobicContact CB-CE1 3.8Å; M377-F564 HydrophobicContact CB-CZ 4.18Å; M377-F564 HydrophobicContact CG-CD1 4.31Å; M377-F564 HydrophobicContact CG-CE1 4.27Å; M377-F564 HydrophobicContact SD-CB 4.12Å; M377-F564 HydrophobicContact SD-CD1 3.53Å; M377-F564 VanDerWaalsContact SD-CD1 3.53Å; M377-F564 HydrophobicContact SD-CD2 4.35Å; M377-F564 HydrophobicContact SD-CE1 3.96Å; M377-F564 HydrophobicContact SD-CG 3.75Å |
| 378 | H | 76.9 | Confident | 73.9 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -69.4 | -45.9 | 174.4 | -173.7 | 72.8 | 0 | 0 | 0 | 111.8 | G375 A376 N381 Q382 | G375-H378 PolarHBondContact O-N 2.78Å; G375-H378 VanDerWaalsContact O-N 3.14Å; A376-H378 PolarHBondContact O-N 3.13Å; A376-H378 VanDerWaalsContact O-N 3.16Å; H378-N381 PolarHBondContact O-N 3.47Å; H378-Q382 PolarHBondContact CD2-NE2 2.88Å; H378-Q382 VanDerWaalsContact CD2-NE2 3.33Å; H378-Q382 PolarHBondContact NE2-NE2 2.87Å; H378-Q382 PolarHBondContact O-N 2.84Å |
| 379 | Q | 77.4 | Confident | 72.5 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 38% | 0.379 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 175.3 | -66.8 | 175.3 | -16.7 | 0 | 0 | 111.5 | A376 N381 Q382 V805 | A376-Q379 PolarHBondContact O-N 3.25Å; A376-Q379 VanDerWaalsContact O-N 3.09Å; Q379-N381 VanDerWaalsContact C-N 3.32Å; Q379-N381 PolarHBondContact O-N 3.1Å; Q379-Q382 WeakPolarHBondContact O-CB 3.42Å; Q379-Q382 PolarHBondContact O-N 2.82Å; Q379-V805 PolarHBondContact NE2-O 2.95Å |
| 380 | F | 82.4 | Confident | 71 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 175.6 | -178 | -95 | 0 | 0 | 0 | 112.4 | A376 M377 Q382 R383 F564 F620 D622 | A376-F380 WeakPolarHBondContact O-CB 3.46Å; A376-F380 PolarHBondContact O-N 2.97Å; M377-F380 HydrophobicContact SD-CB 4.4Å; M377-F380 HydrophobicContact SD-CD1 3.82Å; M377-F380 HydrophobicContact SD-CG 4.49Å; F380-Q382 PolarHBondContact O-N 2.84Å; F380-R383 WeakPolarHBondContact O-CB 3.42Å; F380-R383 PolarHBondContact O-N 2.85Å; F380-R383 VanDerWaalsContact O-N 3.08Å; F380-F564 HydrophobicContact CB-CD2 4.02Å; F380-F564 HydrophobicContact CB-CE2 3.91Å; F380-F564 HydrophobicContact CD1-CB 4Å; F380-F564 AromaticContact CD1-CD2 3.67Å; F380-F564 HydrophobicContact CD1-CD2 3.67Å; F380-F564 HydrophobicContact CD1-CE2 4.41Å; F380-F564 HydrophobicContact CD1-CG 4.01Å; F380-F564 AromaticContact CD2-CD2 3.51Å; F380-F564 HydrophobicContact CD2-CD2 3.51Å; F380-F564 AromaticContact CD2-CE2 3.92Å; F380-F564 HydrophobicContact CD2-CE2 3.92Å; F380-F564 HydrophobicContact CE1-CB 3.65Å; F380-F564 AromaticContact CE1-CD2 3.94Å; F380-F564 HydrophobicContact CE1-CD2 3.94Å; F380-F564 HydrophobicContact CE1-CG 4.13Å; F380-F564 AromaticContact CE2-CD2 3.79Å; F380-F564 HydrophobicContact CE2-CD2 3.79Å; F380-F564 AromaticContact CG-CD2 3.43Å; F380-F564 HydrophobicContact CG-CD2 3.43Å; F380-F564 VanDerWaalsContact CG-CD2 3.43Å; F380-F564 AromaticContact CG-CE2 3.82Å; F380-F564 HydrophobicContact CG-CE2 3.82Å; F380-F564 HydrophobicContact CG-CG 4.23Å; F380-F564 HydrophobicContact CZ-CB 3.97Å; F380-F564 AromaticContact CZ-CD2 3.97Å; F380-F564 HydrophobicContact CZ-CD2 3.97Å; F380-F564 HydrophobicContact CZ-CG 4.44Å; F380-F620 HydrophobicContact CE2-CB 3.95Å; F380-F620 HydrophobicContact CZ-CB 3.71Å; F380-F620 WeakPolarHBondContact CZ-O 3.44Å; F380-D622 HydrophobicContact CD2-CB 4.34Å; F380-D622 HydrophobicContact CE2-CB 4.24Å |
| 381 | N | 83.2 | Confident | 69.6 | Low | 73 Ų | 73 | 68.3 Ų | 68.3 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15 | 174.6 | -82.1 | -65.4 | 0 | 0 | 0 | 114.4 | M377 H378 Q379 | M377-N381 WeakPolarHBondContact CE-ND2 3.41Å; M377-N381 PolarHBondContact O-N 2.67Å; M377-N381 VanDerWaalsContact O-N 3.09Å; M377-N381 PolarHBondContact O-ND2 3.26Å; M377-N381 PolarHBondContact SD-ND2 2.84Å; H378-N381 PolarHBondContact O-N 3.47Å; Q379-N381 VanDerWaalsContact C-N 3.32Å; Q379-N381 PolarHBondContact O-N 3.1Å |
| 382 | Q | 83.1 | Confident | 68.2 | Low | 122 Ų | 122 | 68.6 Ų | 68.6 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.9 | 172.5 | -61.3 | 176.2 | 12.4 | 0 | 0 | 112.6 | H378 Q379 F380 | H378-Q382 PolarHBondContact CD2-NE2 2.88Å; H378-Q382 VanDerWaalsContact CD2-NE2 3.33Å; H378-Q382 PolarHBondContact NE2-NE2 2.87Å; H378-Q382 PolarHBondContact O-N 2.84Å; Q379-Q382 WeakPolarHBondContact O-CB 3.42Å; Q379-Q382 PolarHBondContact O-N 2.82Å; F380-Q382 PolarHBondContact O-N 2.84Å |
| 383 | R | 85.4 | Confident | 66.4 | Low | 30 Ų | 30 | 65.2 Ų | 65.2 | 11% | 0.113 | 34% | 0.337 | C | S | . | . | trans | -67.3 | 143.3 | 176.7 | -61.7 | -170.1 | -169.8 | 163.2 | 6.2 | 111.1 | F380 F620 D622 C749 M751 | F380-R383 WeakPolarHBondContact O-CB 3.42Å; F380-R383 PolarHBondContact O-N 2.85Å; F380-R383 VanDerWaalsContact O-N 3.08Å; R383-F620 HydrophobicContact CB-CD2 4.04Å; R383-F620 HydrophobicContact CB-CE2 4.23Å; R383-F620 WeakPolarHBondContact O-CE2 3.48Å; R383-D622 IonicContact CZ-OD1 3.65Å; R383-D622 IonicContact CZ-OD2 2.8Å; R383-D622 IonicContact NH1-OD1 3.53Å; R383-D622 PolarHBondContact NH1-OD1 3.1Å; R383-D622 IonicContact NH1-OD2 3.42Å; R383-D622 IonicContact NH2-OD1 3.59Å; R383-D622 PolarHBondContact NH2-OD1 3.17Å; R383-D622 IonicContact NH2-OD2 2.65Å; R383-D622 PolarHBondContact NH2-OD2 2.88Å; R383-C749 WeakPolarHBondContact CD-O 3.18Å; R383-C749 PolarHBondContact NH1-O 3.29Å; R383-M751 CarbonylContact C-O 3.49Å; R383-M751 WeakPolarHBondContact CA-O 3.48Å; R383-M751 WeakPolarHBondContact CB-O 3.13Å | ||
| 384 | F | 80.1 | Confident | 64.5 | Low | 34 Ų | 34 | 67.2 Ų | 67.2 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | 174.5 | -174.9 | 67.5 | -88.4 | 0 | 0 | 0 | 111.8 | Y386 M751 E753 | F384-Y386 HydrophobicContact CE2-CD1 4.5Å; F384-Y386 HydrophobicContact CE2-CE1 4.01Å; F384-M751 HydrophobicContact CD1-CB 4.48Å; F384-M751 HydrophobicContact CD2-CB 4.2Å; F384-M751 HydrophobicContact CD2-SD 4.37Å; F384-M751 HydrophobicContact CE1-CB 4.25Å; F384-M751 HydrophobicContact CE2-CB 3.95Å; F384-M751 HydrophobicContact CE2-CE 4.27Å; F384-M751 HydrophobicContact CE2-CG 4.5Å; F384-M751 HydrophobicContact CE2-SD 3.92Å; F384-M751 HydrophobicContact CG-CB 4.45Å; F384-M751 HydrophobicContact CZ-CB 3.99Å; F384-M751 PolarHBondContact N-O 2.77Å; F384-M751 WeakPolarHBondContact O-CA 3.45Å; F384-M751 VanDerWaalsContact O-CB 3.24Å; F384-M751 WeakPolarHBondContact O-CB 3.1Å; F384-M751 WeakPolarHBondContact O-CG 3.11Å; F384-M751 PolarHBondContact O-N 3Å; F384-E753 HydrophobicContact CE1-CG 3.86Å; F384-E753 HydrophobicContact CZ-CG 4.48Å |
| 385 | I | 78.8 | Confident | 63.1 | Low | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | trans | -152 | 143.5 | 165.1 | -166.7 | 171.3 | 0 | 0 | 0 | 108.6 | G387 L388 F494 V498 F620 V746 M747 M751 | I385-G387 PolarHBondContact O-N 2.86Å; I385-L388 HydrophobicContact CG2-CB 3.76Å; I385-L388 HydrophobicContact CG2-CD1 3.39Å; I385-L388 HydrophobicContact CG2-CG 4.17Å; I385-L388 PolarHBondContact O-N 2.64Å; I385-F494 HydrophobicContact CD1-CE1 3.94Å; I385-F494 HydrophobicContact CD1-CZ 3.76Å; I385-F494 HydrophobicContact CG1-CE1 4.1Å; I385-F494 HydrophobicContact CG1-CZ 4.43Å; I385-V498 HydrophobicContact CD1-CG1 4.23Å; I385-V498 HydrophobicContact CD1-CG2 4Å; I385-V498 HydrophobicContact CG1-CG1 4.48Å; I385-F620 HydrophobicContact CB-CE1 4.18Å; I385-F620 HydrophobicContact CB-CZ 3.93Å; I385-F620 HydrophobicContact CG2-CE1 4.02Å; I385-F620 HydrophobicContact CG2-CZ 3.76Å; I385-V746 HydrophobicContact CD1-CG1 4.43Å; I385-M747 HydrophobicContact CD1-CG 4.21Å; I385-M751 HydrophobicContact CG1-CG 4.5Å; I385-M751 HydrophobicContact CG1-SD 4.44Å | ||
| 386 | Y | 66.2 | Low | 61.4 | Low | 80 Ų | 80 | 66.9 Ų | 66.9 | 31% | 0.314 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 137.5 | -176.5 | -63.7 | -57 | 0 | 0 | 0 | 111.8 | F384 L388 M751 E788 | F384-Y386 HydrophobicContact CE2-CD1 4.5Å; F384-Y386 HydrophobicContact CE2-CE1 4.01Å; Y386-L388 VanDerWaalsContact C-N 3.33Å; Y386-L388 PolarHBondContact O-N 3.11Å; Y386-M751 HydrophobicContact CD2-CE 4.24Å; Y386-M751 HydrophobicContact CD2-SD 3.84Å; Y386-M751 HydrophobicContact CE2-CE 3.61Å; Y386-M751 HydrophobicContact CE2-SD 3.81Å; Y386-E788 HydrophobicContact CE2-CB 4.41Å |
| 387 | G | 56.9 | Low | 59.5 | Low | 17 Ų | 17 | 72.9 Ų | 72.9 | 18% | 0.175 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -13.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | I385 | I385-G387 PolarHBondContact O-N 2.86Š|
| 388 | L | 57.2 | Low | 57.1 | Low | 12 Ų | 12 | 80.9 Ų | 80.9 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -24.9 | 172.9 | -110.6 | 152.3 | 0 | 0 | 0 | 112.7 | I385 Y386 D390 Q391 F392 | I385-L388 HydrophobicContact CG2-CB 3.76Å; I385-L388 HydrophobicContact CG2-CD1 3.39Å; I385-L388 HydrophobicContact CG2-CG 4.17Å; I385-L388 PolarHBondContact O-N 2.64Å; Y386-L388 VanDerWaalsContact C-N 3.33Å; Y386-L388 PolarHBondContact O-N 3.11Å; L388-D390 PolarHBondContact O-N 2.72Å; L388-Q391 PolarHBondContact O-N 2.57Å; L388-F392 HydrophobicContact CD2-CD2 4.5Å; L388-F392 HydrophobicContact CD2-CE2 3.7Å; L388-F392 HydrophobicContact CD2-CZ 4.15Å; L388-F392 VanDerWaalsContact O-CD2 3.27Å; L388-F392 WeakPolarHBondContact O-CD2 3.21Å |
| 389 | Q | 50.8 | Low | 55.3 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 59% | 0.593 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61 | -45.4 | 179.7 | -153.8 | 73.1 | 1.5 | 0 | 0 | 112.4 | Q391 F392 A393 | Q389-Q391 VanDerWaalsContact C-N 3.27Å; Q389-Q391 PolarHBondContact O-N 3.29Å; Q389-F392 PolarHBondContact O-N 3.05Å; Q389-A393 PolarHBondContact O-N 2.78Å |
| 390 | D | 41.3 | Very low | 53.3 | Low | 119 Ų | 119 | 88 Ų | 88 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | -179.9 | -60.7 | -61.1 | 0 | 0 | 0 | 112.3 | L388 F392 A393 A394 | L388-D390 PolarHBondContact O-N 2.72Å; D390-F392 VanDerWaalsContact C-N 3.32Å; D390-F392 PolarHBondContact O-N 3.21Å; D390-A393 PolarHBondContact O-N 2.76Å; D390-A394 WeakPolarHBondContact O-CB 3.21Å; D390-A394 PolarHBondContact O-N 2.82Å |
| 391 | Q | 44.1 | Very low | 51.5 | Low | 86 Ų | 86 | 89.9 Ų | 89.9 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.4 | -28.4 | 178.7 | -61 | -169.4 | 3.4 | 0 | 0 | 112.8 | L388 Q389 | L388-Q391 PolarHBondContact O-N 2.57Å; Q389-Q391 VanDerWaalsContact C-N 3.27Å; Q389-Q391 PolarHBondContact O-N 3.29Å |
| 392 | F | 40.8 | Very low | 49.6 | Very low | 90 Ų | 90 | 89.8 Ų | 89.8 | 40% | 0.395 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -80.6 | -20 | 173.8 | -70 | -64.2 | 0 | 0 | 0 | 113.4 | L388 Q389 D390 R560 | L388-F392 HydrophobicContact CD2-CD2 4.5Å; L388-F392 HydrophobicContact CD2-CE2 3.7Å; L388-F392 HydrophobicContact CD2-CZ 4.15Å; L388-F392 VanDerWaalsContact O-CD2 3.27Å; L388-F392 WeakPolarHBondContact O-CD2 3.21Å; Q389-F392 PolarHBondContact O-N 3.05Å; D390-F392 VanDerWaalsContact C-N 3.32Å; D390-F392 PolarHBondContact O-N 3.21Å; F392-R560 VanDerWaalsContact CE1-NH2 3.32Å; F392-R560 VanDerWaalsContact CZ-NH2 3.33Å |
| 393 | A | 33.2 | Very low | 47.9 | Very low | 71 Ų | 71 | 86.3 Ų | 86.3 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -85.1 | -31.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q389 D390 T395 | Q389-A393 PolarHBondContact O-N 2.78Å; D390-A393 PolarHBondContact O-N 2.76Å; A393-T395 PolarHBondContact O-N 3.04Å |
| 394 | A | 31.5 | Very low | 46.2 | Very low | 63 Ų | 63 | 85.7 Ų | 85.7 | 52% | 0.521 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 3.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | D390 S396 | D390-A394 WeakPolarHBondContact O-CB 3.21Å; D390-A394 PolarHBondContact O-N 2.82Å; A394-S396 PolarHBondContact O-N 2.85Å; A394-S396 VanDerWaalsContact O-N 3.14Å |
| 395 | T | 32.6 | Very low | 45.1 | Very low | 132 Ų | 132 | 89.1 Ų | 89.1 | 81% | 0.81 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 0.3 | 177 | 45.3 | 0 | 0 | 0 | 0 | 114.6 | A393 | A393-T395 PolarHBondContact O-N 3.04Š|
| 396 | S | 32.2 | Very low | 44.4 | Very low | 90 Ų | 90 | 90.8 Ų | 90.8 | 63% | 0.629 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -114.6 | 98.3 | 169.9 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | A394 | A394-S396 PolarHBondContact O-N 2.85Å; A394-S396 VanDerWaalsContact O-N 3.14Å |
| 397 | T | 34.8 | Very low | 44.6 | Very low | 139 Ų | 139 | 89.6 Ų | 89.6 | 85% | 0.853 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 64.1 | 56.9 | 143.9 | -33.5 | 0 | 0 | 0 | 0 | 117.8 | ||
| 398 | K | 30.7 | Very low | 44.9 | Very low | 196 Ų | 196 | 97.8 Ų | 97.8 | 85% | 0.852 | 53% | 0.534 | S | S | * | . | trans | -156.3 | 140 | 147.1 | -108.2 | 164.8 | -172.4 | 178.5 | 0 | 109.7 | F400 | K398-F400 PolarHBondContact O-N 2.76Š| ||
| 399 | E | 38.7 | Very low | 45.6 | Very low | 182 Ų | 182 | 98.1 Ų | 98.1 | 85% | 0.85 | 54% | 0.541 | S | S | * | . | trans | -71.1 | 96.2 | 169.9 | -75 | -167.3 | 102.6 | 0 | 0 | 109.3 | K412 | E399-K412 IonicContact OE1-NZ 3.62Š| ||
| 400 | F | 35.8 | Very low | 46.9 | Very low | 175 Ų | 175 | 94.5 Ų | 94.5 | 77% | 0.768 | 52% | 0.522 | S | S | * | . | trans | -84.3 | 108.9 | 169 | -170.6 | -89 | 0 | 0 | 0 | 108.8 | K398 P402 | K398-F400 PolarHBondContact O-N 2.76Å; F400-P402 WeakPolarHBondContact O-CD 3.06Å | ||
| 401 | D | 44.7 | Very low | 48.8 | Very low | 46 Ų | 46 | 92 Ų | 92 | 25% | 0.246 | 51% | 0.506 | C | S | . | . | trans | -82.1 | 114.6 | 173.7 | -168.9 | -29.8 | 0 | 0 | 0 | 109.3 | L403 G404 R436 | D401-L403 PolarHBondContact O-N 3.42Å; D401-L403 VanDerWaalsContact O-N 3.14Å; D401-L403 PolarHBondContact OD1-N 3.23Å; D401-G404 PolarHBondContact O-N 3.16Å; D401-R436 VanDerWaalsContact CG-NH1 3.26Å; D401-R436 IonicContact OD1-CZ 2.87Å; D401-R436 IonicContact OD1-NH1 3.22Å; D401-R436 PolarHBondContact OD1-NH1 3.01Å; D401-R436 IonicContact OD1-NH2 3.69Å; D401-R436 PolarHBondContact OD1-NH2 3.39Å; D401-R436 IonicContact OD2-CZ 2.88Å; D401-R436 IonicContact OD2-NH1 3.6Å; D401-R436 PolarHBondContact OD2-NH1 3.49Å; D401-R436 IonicContact OD2-NH2 3.35Å; D401-R436 PolarHBondContact OD2-NH2 3.09Å | ||
| 402 | P | 42.1 | Very low | 50.6 | Low | 72 Ų | 72 | 91.9 Ų | 91.9 | 47% | 0.468 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.5 | -175.7 | 29.4 | -36.1 | 0 | 0 | 0 | 113.5 | F400 | F400-P402 WeakPolarHBondContact O-CD 3.06Š|
| 403 | L | 47.1 | Very low | 52.6 | Low | 49 Ų | 49 | 92.3 Ų | 92.3 | 26% | 0.257 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 13 | 174.4 | -70.1 | 169.6 | 0 | 0 | 0 | 112.8 | D401 R436 T437 F503 | D401-L403 PolarHBondContact O-N 3.42Å; D401-L403 VanDerWaalsContact O-N 3.14Å; D401-L403 PolarHBondContact OD1-N 3.23Å; L403-R436 VanDerWaalsContact CB-CZ 3.43Å; L403-R436 WeakPolarHBondContact O-CD 3.38Å; L403-R436 PolarHBondContact O-NH1 2.87Å; L403-T437 HydrophobicContact CD1-CG2 4.29Å; L403-F503 HydrophobicContact CD2-CE2 3.63Å; L403-F503 HydrophobicContact CD2-CZ 4.04Å; L403-F503 HydrophobicContact CG-CE2 4.45Å |
| 404 | G | 51.8 | Low | 54.8 | Low | 17 Ų | 17 | 93 Ų | 93 | 18% | 0.175 | 50% | 0.5 | C | S | . | . | trans | 73.5 | -157.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | D401 R436 | D401-G404 PolarHBondContact O-N 3.16Å; G404-R436 PolarHBondContact O-NH1 3.4Å | ||
| 405 | P | 56.8 | Low | 57.1 | Low | 106 Ų | 106 | 91.8 Ų | 91.8 | 69% | 0.688 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -69.5 | 153.2 | 171.9 | 30.5 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 406 | L | 63.7 | Low | 58.9 | Low | 38 Ų | 38 | 92.3 Ų | 92.3 | 20% | 0.199 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 150.6 | 169.5 | -87.1 | 172.4 | 0 | 0 | 0 | 111.3 | W410 K412 F422 P435 R436 | L406-W410 HydrophobicContact CB-CB 4.07Å; L406-W410 HydrophobicContact CD1-CB 4.29Å; L406-W410 HydrophobicContact CD2-CB 4.25Å; L406-W410 HydrophobicContact CG-CB 4.46Å; L406-K412 HydrophobicContact CD1-CB 3.82Å; L406-K412 VanDerWaalsContact CD1-N 3.29Å; L406-F422 HydrophobicContact CD1-CD1 4.1Å; L406-F422 HydrophobicContact CD1-CE1 4.39Å; L406-F422 HydrophobicContact CD2-CD1 3.95Å; L406-F422 HydrophobicContact CD2-CE1 4.07Å; L406-P435 HydrophobicContact CD2-CG 3.57Å; L406-R436 HydrophobicContact CD2-CG 4.41Å |
| 407 | P | 70.6 | Confident | 60.8 | Low | 55 Ų | 55 | 93.8 Ų | 93.8 | 36% | 0.357 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 150.5 | 177.3 | -19.2 | 31.6 | 0 | 0 | 0 | 111.5 | G409 W410 R436 | P407-G409 PolarHBondContact O-N 3.02Å; P407-G409 VanDerWaalsContact O-N 3.1Å; P407-W410 WeakPolarHBondContact O-CB 3.32Å; P407-W410 PolarHBondContact O-N 2.88Å; P407-R436 HydrophobicContact CG-CG 3.95Å |
| 408 | H | 62.7 | Low | 62.1 | Low | 189 Ų | 189 | 89.9 Ų | 89.9 | 88% | 0.875 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 118.8 | -172.8 | 175.9 | -80.7 | 0 | 0 | 0 | 112.5 | ||
| 409 | G | 71.3 | Confident | 63.8 | Low | 19 Ų | 19 | 88.6 Ų | 88.6 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.4 | 0.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | P407 H424 H425 P426 | P407-G409 PolarHBondContact O-N 3.02Å; P407-G409 VanDerWaalsContact O-N 3.1Å; G409-H424 CarbonylContact O-C 3.5Å; G409-H424 WeakPolarHBondContact O-CA 3.45Å; G409-H424 PolarHBondContact O-CD2 3.3Å; G409-H425 PolarHBondContact O-CD2 2.88Å; G409-H425 VanDerWaalsContact O-CD2 3.28Å; G409-H425 PolarHBondContact O-N 2.94Å; G409-P426 WeakPolarHBondContact O-CD 3.39Å |
| 410 | W | 77.9 | Confident | 65.7 | Low | 51 Ų | 51 | 82.6 Ų | 82.6 | 19% | 0.193 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.4 | 174.6 | -68.3 | 87.4 | 0 | 0 | 0 | 113.1 | L406 P407 F422 V423 H424 Q431 P435 | L406-W410 HydrophobicContact CB-CB 4.07Å; L406-W410 HydrophobicContact CD1-CB 4.29Å; L406-W410 HydrophobicContact CD2-CB 4.25Å; L406-W410 HydrophobicContact CG-CB 4.46Å; P407-W410 WeakPolarHBondContact O-CB 3.32Å; P407-W410 PolarHBondContact O-N 2.88Å; W410-F422 HydrophobicContact CE3-CB 4.04Å; W410-F422 HydrophobicContact CZ3-CB 4.18Å; W410-V423 CarbonylContact C-O 3.48Å; W410-V423 VanDerWaalsContact CA-O 3.28Å; W410-V423 WeakPolarHBondContact CA-O 3.31Å; W410-H424 AromaticContact CD1-CD2 3.41Å; W410-H424 VanDerWaalsContact CD1-CD2 3.41Å; W410-H424 AromaticContact CD1-NE2 3.96Å; W410-H424 HydrophobicContact CD2-CB 3.83Å; W410-H424 AromaticContact CD2-CD2 3.63Å; W410-H424 AromaticContact CD2-CG 3.98Å; W410-H424 AromaticContact CE2-CD2 3.29Å; W410-H424 AromaticContact CE2-CG 3.6Å; W410-H424 HydrophobicContact CE3-CB 3.75Å; W410-H424 AromaticContact CG-CD2 3.74Å; W410-H424 HydrophobicContact CH2-CB 3.72Å; W410-H424 HydrophobicContact CZ2-CB 3.77Å; W410-H424 AromaticContact CZ2-CD2 3.88Å; W410-H424 AromaticContact CZ2-CG 3.73Å; W410-H424 HydrophobicContact CZ3-CB 3.7Å; W410-H424 AromaticContact NE1-CD2 3.13Å; W410-H424 PolarHBondContact NE1-CD2 3.35Å; W410-H424 AromaticContact NE1-CG 3.9Å; W410-H424 AromaticContact NE1-NE2 3.52Å; W410-Q431 HydrophobicContact CH2-CG 4.26Å; W410-Q431 HydrophobicContact CZ3-CG 3.89Å; W410-P435 HydrophobicContact CB-CG 4.25Å; W410-P435 HydrophobicContact CD2-CB 3.61Å; W410-P435 HydrophobicContact CD2-CG 3.57Å; W410-P435 HydrophobicContact CE3-CB 3.86Å; W410-P435 HydrophobicContact CE3-CG 3.67Å; W410-P435 HydrophobicContact CG-CB 4.17Å; W410-P435 HydrophobicContact CG-CG 3.85Å; W410-P435 HydrophobicContact CH2-CB 3.97Å; W410-P435 HydrophobicContact CZ2-CB 3.73Å; W410-P435 HydrophobicContact CZ3-CB 4.03Å; W410-P435 HydrophobicContact CZ3-CG 4.22Å |
| 411 | E | 82.6 | Confident | 67.8 | Low | 65 Ų | 65 | 76.9 Ų | 76.9 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.2 | 174.3 | -176.5 | -166.4 | 159.1 | 0 | 0 | 110.5 | R413 F422 V423 H425 | E411-R413 HydrophobicContact CG-CG 4.2Å; E411-R413 WeakPolarHBondContact OE1-CG 3.47Å; E411-R413 IonicContact OE1-CZ 3.15Å; E411-R413 IonicContact OE1-NE 3.22Å; E411-R413 PolarHBondContact OE1-NE 3.45Å; E411-R413 IonicContact OE1-NH2 2.71Å; E411-R413 PolarHBondContact OE1-NH2 3.21Å; E411-R413 IonicContact OE2-CZ 2.76Å; E411-R413 VanDerWaalsContact OE2-CZ 3.31Å; E411-R413 IonicContact OE2-NE 2.88Å; E411-R413 PolarHBondContact OE2-NE 2.56Å; E411-R413 VanDerWaalsContact OE2-NE 3.16Å; E411-R413 IonicContact OE2-NH2 2.72Å; E411-R413 PolarHBondContact OE2-NH2 2.9Å; E411-F422 WeakPolarHBondContact O-CA 3.2Å; E411-V423 HydrophobicContact CB-CB 4.47Å; E411-V423 PolarHBondContact N-O 2.86Å; E411-V423 PolarHBondContact O-N 2.99Å; E411-H425 VanDerWaalsContact CB-NE2 3.33Å; E411-H425 WeakPolarHBondContact CB-NE2 3.29Å; E411-H425 IonicContact OE2-CE1 3.78Å; E411-H425 PolarHBondContact OE2-CE1 2.87Å; E411-H425 IonicContact OE2-NE2 3.01Å; E411-H425 PolarHBondContact OE2-NE2 2.95Å |
| 412 | K | 81.6 | Confident | 69.8 | Low | 85 Ų | 85 | 75.3 Ų | 75.3 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.3 | 170.8 | -177.6 | -173.2 | 176 | -166.8 | 0 | 109 | E399 L406 V420 F422 | E399-K412 IonicContact OE1-NZ 3.62Å; L406-K412 HydrophobicContact CD1-CB 3.82Å; L406-K412 VanDerWaalsContact CD1-N 3.29Å; K412-V420 HydrophobicContact CD-CG1 4.42Å; K412-V420 HydrophobicContact CG-CG1 3.73Å; K412-F422 HydrophobicContact CB-CD1 4.32Å; K412-F422 HydrophobicContact CB-CE1 4.17Å; K412-F422 HydrophobicContact CG-CE1 4.07Å |
| 413 | R | 81.9 | Confident | 71.8 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 166.6 | 174.7 | -69.4 | -166.1 | 179.2 | 172.9 | 4.5 | 111.3 | E411 V420 Y421 V423 | E411-R413 HydrophobicContact CG-CG 4.2Å; E411-R413 WeakPolarHBondContact OE1-CG 3.47Å; E411-R413 IonicContact OE1-CZ 3.15Å; E411-R413 IonicContact OE1-NE 3.22Å; E411-R413 PolarHBondContact OE1-NE 3.45Å; E411-R413 IonicContact OE1-NH2 2.71Å; E411-R413 PolarHBondContact OE1-NH2 3.21Å; E411-R413 IonicContact OE2-CZ 2.76Å; E411-R413 VanDerWaalsContact OE2-CZ 3.31Å; E411-R413 IonicContact OE2-NE 2.88Å; E411-R413 PolarHBondContact OE2-NE 2.56Å; E411-R413 VanDerWaalsContact OE2-NE 3.16Å; E411-R413 IonicContact OE2-NH2 2.72Å; E411-R413 PolarHBondContact OE2-NH2 2.9Å; R413-V420 CarbonylContact O-C 3.48Å; R413-V420 VanDerWaalsContact O-CA 3.28Å; R413-V420 WeakPolarHBondContact O-CA 3.44Å; R413-Y421 HydrophobicContact CB-CD1 4.11Å; R413-Y421 HydrophobicContact CB-CD2 4.32Å; R413-Y421 HydrophobicContact CB-CE1 3.6Å; R413-Y421 HydrophobicContact CB-CE2 3.84Å; R413-Y421 HydrophobicContact CB-CG 4.45Å; R413-Y421 VanDerWaalsContact CB-CZ 3.44Å; R413-Y421 WeakPolarHBondContact CD-OH 3.29Å; R413-Y421 HydrophobicContact CG-CE2 4.5Å; R413-Y421 PolarHBondContact N-O 3.22Å; R413-Y421 PolarHBondContact O-N 3.05Å; R413-Y421 VanDerWaalsContact O-O 3.07Å; R413-V423 HydrophobicContact CG-CG2 4.12Å |
| 414 | T | 80.4 | Confident | 73.6 | Confident | 84 Ų | 84 | 72 Ų | 72 | 52% | 0.515 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.1 | 175.9 | -48.8 | 0 | 0 | 0 | 0 | 109 | G418 R419 | T414-G418 VanDerWaalsContact CG2-C 3.42Å; T414-R419 CarbonylContact C-O 3.6Å; T414-R419 WeakPolarHBondContact CA-O 3.36Å |
| 415 | D | 78.6 | Confident | 74.8 | Confident | 38 Ų | 38 | 75.6 Ų | 75.6 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | trans | -79.7 | 176.9 | 175.4 | 85.3 | -15.2 | 0 | 0 | 0 | 112.1 | N417 G418 R419 Y421 | D415-N417 PolarHBondContact O-N 2.74Å; D415-N417 VanDerWaalsContact O-N 3.08Å; D415-N417 VanDerWaalsContact OD1-C 3.27Å; D415-N417 VanDerWaalsContact OD1-CA 3.26Å; D415-N417 WeakPolarHBondContact OD1-CA 3.29Å; D415-N417 WeakPolarHBondContact OD1-CB 3.39Å; D415-N417 PolarHBondContact OD1-N 2.94Å; D415-N417 PolarHBondContact OD2-ND2 3.07Å; D415-G418 PolarHBondContact O-N 3.4Å; D415-G418 PolarHBondContact OD1-N 3.36Å; D415-R419 PolarHBondContact N-O 3.42Å; D415-R419 WeakPolarHBondContact OD1-CB 3.41Å; D415-R419 PolarHBondContact OD1-N 3.44Å; D415-Y421 HydrophobicContact CB-CD1 4.37Å; D415-Y421 HydrophobicContact CB-CE1 4.29Å | ||
| 416 | T | 71.6 | Confident | 76.1 | Confident | 143 Ų | 143 | 74.8 Ų | 74.8 | 88% | 0.877 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -7.5 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 417 | N | 72.3 | Confident | 77 | Confident | 122 Ų | 122 | 76.9 Ų | 76.9 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 4.5 | -179.3 | -46.9 | -63.7 | 0 | 0 | 0 | 112.1 | D415 | D415-N417 PolarHBondContact O-N 2.74Å; D415-N417 VanDerWaalsContact O-N 3.08Å; D415-N417 VanDerWaalsContact OD1-C 3.27Å; D415-N417 VanDerWaalsContact OD1-CA 3.26Å; D415-N417 WeakPolarHBondContact OD1-CA 3.29Å; D415-N417 WeakPolarHBondContact OD1-CB 3.39Å; D415-N417 PolarHBondContact OD1-N 2.94Å; D415-N417 PolarHBondContact OD2-ND2 3.07Å |
| 418 | G | 61.7 | Low | 77.6 | Confident | 56 Ų | 56 | 85 Ų | 85 | 58% | 0.577 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 81.1 | 10.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | T414 D415 | T414-G418 VanDerWaalsContact CG2-C 3.42Å; D415-G418 PolarHBondContact O-N 3.4Å; D415-G418 PolarHBondContact OD1-N 3.36Å |
| 419 | R | 67 | Low | 78.3 | Confident | 169 Ų | 169 | 79.3 Ų | 79.3 | 64% | 0.638 | 41% | 0.407 | S | S | * | . | trans | -86.8 | 131.6 | 177.9 | -61.9 | -178.2 | 173.2 | -162.6 | -2.2 | 110.9 | T414 D415 W432 | T414-R419 CarbonylContact C-O 3.6Å; T414-R419 WeakPolarHBondContact CA-O 3.36Å; D415-R419 PolarHBondContact N-O 3.42Å; D415-R419 WeakPolarHBondContact OD1-CB 3.41Å; D415-R419 PolarHBondContact OD1-N 3.44Å; R419-W432 HydrophobicContact CB-CZ3 4.09Å | ||
| 420 | V | 77.3 | Confident | 79.1 | Confident | 57 Ų | 57 | 83 Ų | 83 | 35% | 0.345 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 140.3 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | K412 R413 F422 | K412-V420 HydrophobicContact CD-CG1 4.42Å; K412-V420 HydrophobicContact CG-CG1 3.73Å; R413-V420 CarbonylContact O-C 3.48Å; R413-V420 VanDerWaalsContact O-CA 3.28Å; R413-V420 WeakPolarHBondContact O-CA 3.44Å; V420-F422 HydrophobicContact CG1-CE1 4.44Å; V420-F422 HydrophobicContact CG1-CE2 3.95Å; V420-F422 HydrophobicContact CG1-CZ 3.85Å |
| 421 | Y | 80.6 | Confident | 79.2 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 21% | 0.212 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 159.5 | 168.6 | 69.9 | -83.8 | 0 | 0 | 0 | 110.1 | R413 D415 V423 T430 Q431 W432 | R413-Y421 HydrophobicContact CB-CD1 4.11Å; R413-Y421 HydrophobicContact CB-CD2 4.32Å; R413-Y421 HydrophobicContact CB-CE1 3.6Å; R413-Y421 HydrophobicContact CB-CE2 3.84Å; R413-Y421 HydrophobicContact CB-CG 4.45Å; R413-Y421 VanDerWaalsContact CB-CZ 3.44Å; R413-Y421 WeakPolarHBondContact CD-OH 3.29Å; R413-Y421 HydrophobicContact CG-CE2 4.5Å; R413-Y421 PolarHBondContact N-O 3.22Å; R413-Y421 PolarHBondContact O-N 3.05Å; R413-Y421 VanDerWaalsContact O-O 3.07Å; D415-Y421 HydrophobicContact CB-CD1 4.37Å; D415-Y421 HydrophobicContact CB-CE1 4.29Å; Y421-V423 HydrophobicContact CD2-CG2 3.97Å; Y421-V423 HydrophobicContact CE2-CG2 3.59Å; Y421-T430 HydrophobicContact CD2-CG2 4.4Å; Y421-T430 HydrophobicContact CE2-CG2 4.37Å; Y421-Q431 WeakPolarHBondContact CA-O 3.49Å; Y421-Q431 WeakPolarHBondContact CB-O 3.31Å; Y421-W432 HydrophobicContact CD1-CZ3 4.5Å |
| 422 | F | 86.6 | Confident | 78.9 | Confident | 13 Ų | 13 | 86.1 Ų | 86.1 | 6% | 0.057 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.3 | -175.1 | -59.6 | -90 | 0 | 0 | 0 | 110.5 | L406 W410 E411 K412 V420 T430 Q431 E433 D434 P435 | L406-F422 HydrophobicContact CD1-CD1 4.1Å; L406-F422 HydrophobicContact CD1-CE1 4.39Å; L406-F422 HydrophobicContact CD2-CD1 3.95Å; L406-F422 HydrophobicContact CD2-CE1 4.07Å; W410-F422 HydrophobicContact CE3-CB 4.04Å; W410-F422 HydrophobicContact CZ3-CB 4.18Å; E411-F422 WeakPolarHBondContact O-CA 3.2Å; K412-F422 HydrophobicContact CB-CD1 4.32Å; K412-F422 HydrophobicContact CB-CE1 4.17Å; K412-F422 HydrophobicContact CG-CE1 4.07Å; V420-F422 HydrophobicContact CG1-CE1 4.44Å; V420-F422 HydrophobicContact CG1-CE2 3.95Å; V420-F422 HydrophobicContact CG1-CZ 3.85Å; F422-T430 VanDerWaalsContact O-CA 3.25Å; F422-T430 WeakPolarHBondContact O-CA 3.32Å; F422-Q431 HydrophobicContact CB-CG 4.25Å; F422-Q431 PolarHBondContact N-O 2.95Å; F422-Q431 PolarHBondContact O-N 2.94Å; F422-E433 WeakPolarHBondContact CD2-O 3.4Å; F422-D434 HydrophobicContact CE1-CB 4.33Å; F422-D434 WeakPolarHBondContact CE1-OD2 3.35Å; F422-D434 HydrophobicContact CE2-CB 3.84Å; F422-D434 HydrophobicContact CZ-CB 3.71Å; F422-D434 WeakPolarHBondContact CZ-OD2 3.4Å; F422-P435 HydrophobicContact CD1-CG 4.46Å |
| 423 | V | 84.6 | Confident | 78.2 | Confident | 16 Ų | 16 | 86.8 Ų | 86.8 | 10% | 0.097 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.5 | -177.2 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | W410 E411 R413 Y421 T430 | W410-V423 CarbonylContact C-O 3.48Å; W410-V423 VanDerWaalsContact CA-O 3.28Å; W410-V423 WeakPolarHBondContact CA-O 3.31Å; E411-V423 HydrophobicContact CB-CB 4.47Å; E411-V423 PolarHBondContact N-O 2.86Å; E411-V423 PolarHBondContact O-N 2.99Å; R413-V423 HydrophobicContact CG-CG2 4.12Å; Y421-V423 HydrophobicContact CD2-CG2 3.97Å; Y421-V423 HydrophobicContact CE2-CG2 3.59Å; V423-T430 HydrophobicContact CB-CG2 4.36Å; V423-T430 HydrophobicContact CG1-CG2 4.17Å; V423-T430 HydrophobicContact CG2-CG2 3.97Å |
| 424 | H | 84.4 | Confident | 77.7 | Confident | 35 Ų | 35 | 83 Ų | 83 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 105.6 | 171.7 | -167.3 | -134.4 | 0 | 0 | 0 | 109.9 | G409 W410 T427 R428 T429 | G409-H424 CarbonylContact O-C 3.5Å; G409-H424 WeakPolarHBondContact O-CA 3.45Å; G409-H424 PolarHBondContact O-CD2 3.3Å; W410-H424 AromaticContact CD1-CD2 3.41Å; W410-H424 VanDerWaalsContact CD1-CD2 3.41Å; W410-H424 AromaticContact CD1-NE2 3.96Å; W410-H424 HydrophobicContact CD2-CB 3.83Å; W410-H424 AromaticContact CD2-CD2 3.63Å; W410-H424 AromaticContact CD2-CG 3.98Å; W410-H424 AromaticContact CE2-CD2 3.29Å; W410-H424 AromaticContact CE2-CG 3.6Å; W410-H424 HydrophobicContact CE3-CB 3.75Å; W410-H424 AromaticContact CG-CD2 3.74Å; W410-H424 HydrophobicContact CH2-CB 3.72Å; W410-H424 HydrophobicContact CZ2-CB 3.77Å; W410-H424 AromaticContact CZ2-CD2 3.88Å; W410-H424 AromaticContact CZ2-CG 3.73Å; W410-H424 HydrophobicContact CZ3-CB 3.7Å; W410-H424 AromaticContact NE1-CD2 3.13Å; W410-H424 PolarHBondContact NE1-CD2 3.35Å; W410-H424 AromaticContact NE1-CG 3.9Å; W410-H424 AromaticContact NE1-NE2 3.52Å; H424-T427 PolarHBondContact ND1-OG1 3.37Å; H424-R428 VanDerWaalsContact O-CA 3.24Å; H424-R428 WeakPolarHBondContact O-CA 3.47Å; H424-R428 PolarHBondContact O-N 3.17Å; H424-T429 PolarHBondContact N-O 3.46Å; H424-T429 PolarHBondContact O-N 3.23Å |
| 425 | H | 77.1 | Confident | 76.9 | Confident | 94 Ų | 94 | 79.9 Ų | 79.9 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40.6 | -177.8 | -58.6 | -79 | 0 | 0 | 0 | 114.5 | G409 E411 T427 R428 | G409-H425 PolarHBondContact O-CD2 2.88Å; G409-H425 VanDerWaalsContact O-CD2 3.28Å; G409-H425 PolarHBondContact O-N 2.94Å; E411-H425 VanDerWaalsContact CB-NE2 3.33Å; E411-H425 WeakPolarHBondContact CB-NE2 3.29Å; E411-H425 IonicContact OE2-CE1 3.78Å; E411-H425 PolarHBondContact OE2-CE1 2.87Å; E411-H425 IonicContact OE2-NE2 3.01Å; E411-H425 PolarHBondContact OE2-NE2 2.95Å; H425-T427 PolarHBondContact O-N 2.9Å; H425-R428 PolarHBondContact O-N 2.93Å |
| 426 | P | 83.6 | Confident | 76.3 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 57% | 0.571 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -40.4 | 179.7 | -26.2 | 35.9 | 0 | 0 | 0 | 114.3 | G409 | G409-P426 WeakPolarHBondContact O-CD 3.39Š|
| 427 | T | 82.3 | Confident | 75.7 | Confident | 82 Ų | 82 | 75 Ų | 75 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -9.2 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | H424 H425 T429 | H424-T427 PolarHBondContact ND1-OG1 3.37Å; H425-T427 PolarHBondContact O-N 2.9Å; T427-T429 PolarHBondContact O-N 2.77Å; T427-T429 PolarHBondContact OG1-OG1 3.48Å |
| 428 | R | 84.3 | Confident | 74.5 | Confident | 227 Ų | 227 | 73.7 Ų | 73.7 | 86% | 0.857 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 29.7 | -173.7 | -55.5 | -179 | 177.8 | 179.7 | -1.2 | 114 | H424 H425 | H424-R428 VanDerWaalsContact O-CA 3.24Å; H424-R428 WeakPolarHBondContact O-CA 3.47Å; H424-R428 PolarHBondContact O-N 3.17Å; H425-R428 PolarHBondContact O-N 2.93Å |
| 429 | T | 77.9 | Confident | 74 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 153 | 177.4 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | H424 T427 | H424-T429 PolarHBondContact N-O 3.46Å; H424-T429 PolarHBondContact O-N 3.23Å; T427-T429 PolarHBondContact O-N 2.77Å; T427-T429 PolarHBondContact OG1-OG1 3.48Å |
| 430 | T | 87.4 | Confident | 72.9 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.3 | 172.4 | 58.6 | 0 | 0 | 0 | 0 | 111 | Y421 F422 V423 | Y421-T430 HydrophobicContact CD2-CG2 4.4Å; Y421-T430 HydrophobicContact CE2-CG2 4.37Å; F422-T430 VanDerWaalsContact O-CA 3.25Å; F422-T430 WeakPolarHBondContact O-CA 3.32Å; V423-T430 HydrophobicContact CB-CG2 4.36Å; V423-T430 HydrophobicContact CG1-CG2 4.17Å; V423-T430 HydrophobicContact CG2-CG2 3.97Å |
| 431 | Q | 79.8 | Confident | 71.5 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 16% | 0.159 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 165.2 | 179 | 62.3 | -174.7 | 52.7 | 0 | 0 | 110.7 | W410 Y421 F422 E433 Q438 | W410-Q431 HydrophobicContact CH2-CG 4.26Å; W410-Q431 HydrophobicContact CZ3-CG 3.89Å; Y421-Q431 WeakPolarHBondContact CA-O 3.49Å; Y421-Q431 WeakPolarHBondContact CB-O 3.31Å; F422-Q431 HydrophobicContact CB-CG 4.25Å; F422-Q431 PolarHBondContact N-O 2.95Å; F422-Q431 PolarHBondContact O-N 2.94Å; Q431-E433 WeakPolarHBondContact CG-O 3.34Å; Q431-E433 PolarHBondContact NE2-O 3.09Å; Q431-Q438 VanDerWaalsContact NE2-CD 3.26Å |
| 432 | W | 76.3 | Confident | 70.2 | Confident | 149 Ų | 149 | 70.5 Ų | 70.5 | 56% | 0.564 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -96.3 | -25.1 | -178.2 | -60.8 | 98.8 | 0 | 0 | 0 | 112.1 | R419 Y421 | R419-W432 HydrophobicContact CB-CZ3 4.09Å; Y421-W432 HydrophobicContact CD1-CZ3 4.5Å |
| 433 | E | 67.5 | Low | 68.6 | Low | 99 Ų | 99 | 77.2 Ų | 77.2 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -83.9 | 142.5 | -178.6 | -53.7 | 69.3 | -155.1 | 0 | 0 | 110.5 | F422 Q431 Q438 | F422-E433 WeakPolarHBondContact CD2-O 3.4Å; Q431-E433 WeakPolarHBondContact CG-O 3.34Å; Q431-E433 PolarHBondContact NE2-O 3.09Å; E433-Q438 HydrophobicContact CB-CG 4.22Å |
| 434 | D | 70 | Confident | 67.3 | Low | 19 Ų | 19 | 83.5 Ų | 83.5 | 10% | 0.102 | 43% | 0.429 | C | S | . | . | trans | -70.3 | 127.6 | -179.1 | -165.7 | -55.8 | 0 | 0 | 0 | 110.7 | F422 R436 T437 Q438 | F422-D434 HydrophobicContact CE1-CB 4.33Å; F422-D434 WeakPolarHBondContact CE1-OD2 3.35Å; F422-D434 HydrophobicContact CE2-CB 3.84Å; F422-D434 HydrophobicContact CZ-CB 3.71Å; F422-D434 WeakPolarHBondContact CZ-OD2 3.4Å; D434-R436 PolarHBondContact O-N 2.86Å; D434-R436 WeakPolarHBondContact OD1-CB 3.31Å; D434-R436 WeakPolarHBondContact OD1-CG 3.47Å; D434-R436 IonicContact OD1-CZ 2.69Å; D434-R436 PolarHBondContact OD1-N 3.08Å; D434-R436 IonicContact OD1-NE 2.75Å; D434-R436 PolarHBondContact OD1-NE 3.16Å; D434-R436 IonicContact OD1-NH2 3.82Å; D434-R436 IonicContact OD2-CZ 3.96Å; D434-R436 IonicContact OD2-NE 2.9Å; D434-R436 PolarHBondContact OD2-NE 3.26Å; D434-R436 IonicContact OD2-NH2 3.65Å; D434-R436 PolarHBondContact OD2-NH2 3.33Å; D434-T437 HydrophobicContact CB-CG2 4.09Å; D434-T437 PolarHBondContact O-N 3.31Å; D434-T437 PolarHBondContact O-OG1 3.39Å; D434-Q438 PolarHBondContact O-N 3.2Å | ||
| 435 | P | 65.2 | Low | 66.1 | Low | 18 Ų | 18 | 85.5 Ų | 85.5 | 12% | 0.117 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.9 | 179.3 | 28.6 | -38.5 | 0 | 0 | 0 | 113.4 | L406 W410 F422 | L406-P435 HydrophobicContact CD2-CG 3.57Å; W410-P435 HydrophobicContact CB-CG 4.25Å; W410-P435 HydrophobicContact CD2-CB 3.61Å; W410-P435 HydrophobicContact CD2-CG 3.57Å; W410-P435 HydrophobicContact CE3-CB 3.86Å; W410-P435 HydrophobicContact CE3-CG 3.67Å; W410-P435 HydrophobicContact CG-CB 4.17Å; W410-P435 HydrophobicContact CG-CG 3.85Å; W410-P435 HydrophobicContact CH2-CB 3.97Å; W410-P435 HydrophobicContact CZ2-CB 3.73Å; W410-P435 HydrophobicContact CZ3-CB 4.03Å; W410-P435 HydrophobicContact CZ3-CG 4.22Å; F422-P435 HydrophobicContact CD1-CG 4.46Å |
| 436 | R | 64.9 | Low | 65.7 | Low | 31 Ų | 31 | 81.3 Ų | 81.3 | 12% | 0.117 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -23.2 | 173.5 | -58.4 | 167 | -71.1 | -168.4 | 0.4 | 112.6 | D401 L403 G404 L406 P407 D434 | D401-R436 VanDerWaalsContact CG-NH1 3.26Å; D401-R436 IonicContact OD1-CZ 2.87Å; D401-R436 IonicContact OD1-NH1 3.22Å; D401-R436 PolarHBondContact OD1-NH1 3.01Å; D401-R436 IonicContact OD1-NH2 3.69Å; D401-R436 PolarHBondContact OD1-NH2 3.39Å; D401-R436 IonicContact OD2-CZ 2.88Å; D401-R436 IonicContact OD2-NH1 3.6Å; D401-R436 PolarHBondContact OD2-NH1 3.49Å; D401-R436 IonicContact OD2-NH2 3.35Å; D401-R436 PolarHBondContact OD2-NH2 3.09Å; L403-R436 VanDerWaalsContact CB-CZ 3.43Å; L403-R436 WeakPolarHBondContact O-CD 3.38Å; L403-R436 PolarHBondContact O-NH1 2.87Å; G404-R436 PolarHBondContact O-NH1 3.4Å; L406-R436 HydrophobicContact CD2-CG 4.41Å; P407-R436 HydrophobicContact CG-CG 3.95Å; D434-R436 PolarHBondContact O-N 2.86Å; D434-R436 WeakPolarHBondContact OD1-CB 3.31Å; D434-R436 WeakPolarHBondContact OD1-CG 3.47Å; D434-R436 IonicContact OD1-CZ 2.69Å; D434-R436 PolarHBondContact OD1-N 3.08Å; D434-R436 IonicContact OD1-NE 2.75Å; D434-R436 PolarHBondContact OD1-NE 3.16Å; D434-R436 IonicContact OD1-NH2 3.82Å; D434-R436 IonicContact OD2-CZ 3.96Å; D434-R436 IonicContact OD2-NE 2.9Å; D434-R436 PolarHBondContact OD2-NE 3.26Å; D434-R436 IonicContact OD2-NH2 3.65Å; D434-R436 PolarHBondContact OD2-NH2 3.33Å |
| 437 | T | 59.4 | Low | 65.3 | Low | 49 Ų | 49 | 79.9 Ų | 79.9 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -23.4 | 174.6 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | L403 D434 G439 | L403-T437 HydrophobicContact CD1-CG2 4.29Å; D434-T437 HydrophobicContact CB-CG2 4.09Å; D434-T437 PolarHBondContact O-N 3.31Å; D434-T437 PolarHBondContact O-OG1 3.39Å; T437-G439 PolarHBondContact O-N 3.49Å |
| 438 | Q | 47.4 | Very low | 64.5 | Low | 93 Ų | 93 | 83.8 Ų | 83.8 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 112.1 | -179.9 | -72.7 | -174.3 | -21.4 | 0 | 0 | 112.3 | Q431 E433 D434 L440 | Q431-Q438 VanDerWaalsContact NE2-CD 3.26Å; E433-Q438 HydrophobicContact CB-CG 4.22Å; D434-Q438 PolarHBondContact O-N 3.2Å; Q438-L440 PolarHBondContact O-N 3.02Å |
| 439 | G | 49.9 | Very low | 63.8 | Low | 68 Ų | 68 | 73.8 Ų | 73.8 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -6.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | T437 | T437-G439 PolarHBondContact O-N 3.49Š|
| 440 | L | 44.7 | Very low | 63.5 | Low | 109 Ų | 109 | 72.8 Ų | 72.8 | 57% | 0.571 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -24.4 | 174.5 | -86 | 163.1 | 0 | 0 | 0 | 114 | Q438 | Q438-L440 PolarHBondContact O-N 3.02Š|
| 441 | L | 48.2 | Very low | 62.8 | Low | 43 Ų | 43 | 68.3 Ų | 68.3 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -106 | 106.7 | 173.2 | -73.4 | 166.2 | 0 | 0 | 0 | 108.9 | M452 F503 | L441-M452 HydrophobicContact CD2-CE 3.94Å; L441-M452 HydrophobicContact CD2-SD 3.81Å; L441-F503 HydrophobicContact CD1-CE1 4.43Å; L441-F503 HydrophobicContact CD1-CZ 4.43Å |
| 442 | N | 53.8 | Low | 62.4 | Low | 49 Ų | 49 | 66.9 Ų | 66.9 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | trans | -73.9 | 129.5 | 167.4 | -177.1 | -4.8 | 0 | 0 | 0 | 108.4 | K444 R476 T477 | N442-K444 PolarHBondContact O-N 3.44Å; N442-K444 WeakPolarHBondContact OD1-CB 3.28Å; N442-K444 WeakPolarHBondContact OD1-CG 3.23Å; N442-K444 PolarHBondContact OD1-N 3.23Å; N442-K444 VanDerWaalsContact OD1-N 3.14Å; N442-R476 PolarHBondContact O-NH1 2.88Å; N442-T477 HydrophobicContact CB-CG2 4.35Å | ||
| 443 | D | 52.5 | Low | 62.1 | Low | 155 Ų | 155 | 60.2 Ų | 60.2 | 83% | 0.829 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -64.3 | -18.2 | 178.2 | -63.7 | -50 | 0 | 0 | 0 | 113 | ||
| 444 | K | 56.3 | Low | 62.1 | Low | 147 Ų | 147 | 60.3 Ų | 60.3 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -66.8 | 134.1 | 172.4 | -63.2 | -178.1 | -178.7 | -175.6 | 0 | 110 | N442 R476 | N442-K444 PolarHBondContact O-N 3.44Å; N442-K444 WeakPolarHBondContact OD1-CB 3.28Å; N442-K444 WeakPolarHBondContact OD1-CG 3.23Å; N442-K444 PolarHBondContact OD1-N 3.23Å; N442-K444 VanDerWaalsContact OD1-N 3.14Å; K444-R476 VanDerWaalsContact O-CD 3.23Å; K444-R476 WeakPolarHBondContact O-CD 3.32Å; K444-R476 PolarHBondContact O-NH1 3.22Å |
| 445 | P | 59.2 | Low | 61.9 | Low | 77 Ų | 77 | 60.7 Ų | 60.7 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 155.3 | 174 | 26.3 | -34.7 | 0 | 0 | 0 | 110.9 | R476 | P445-R476 WeakPolarHBondContact O-CD 3.2Š|
| 446 | L | 68.4 | Low | 61.7 | Low | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 151 | 170 | -69.2 | 156.2 | 0 | 0 | 0 | 109.5 | W450 M452 F462 P475 R476 Q737 | L446-W450 HydrophobicContact CB-CB 4.13Å; L446-W450 WeakPolarHBondContact CB-O 3.3Å; L446-W450 VanDerWaalsContact CD1-O 3.31Å; L446-W450 WeakPolarHBondContact CD1-O 3.21Å; L446-M452 HydrophobicContact CD1-CB 3.7Å; L446-F462 HydrophobicContact CD2-CD1 3.88Å; L446-F462 HydrophobicContact CD2-CE1 3.93Å; L446-P475 HydrophobicContact CD2-CG 3.71Å; L446-R476 HydrophobicContact CD2-CG 4.07Å; L446-Q737 PolarHBondContact O-NE2 3.02Å |
| 447 | P | 76.1 | Confident | 61.6 | Low | 57 Ų | 57 | 71 Ų | 71 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 160.8 | 174.5 | -23.5 | 35.1 | 0 | 0 | 0 | 112 | G449 W450 P475 | P447-G449 PolarHBondContact O-N 3.31Å; P447-W450 HydrophobicContact CB-CG 4.46Å; P447-W450 WeakPolarHBondContact O-CB 3.48Å; P447-W450 PolarHBondContact O-N 3.02Å; P447-P475 HydrophobicContact CG-CB 4.13Å; P447-P475 HydrophobicContact CG-CG 4.25Å |
| 448 | E | 66.2 | Low | 61.4 | Low | 165 Ų | 165 | 74.6 Ų | 74.6 | 77% | 0.771 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 133.4 | -179.9 | -170.5 | 169.2 | -171.5 | 0 | 0 | 111.5 | W450 N466 | E448-W450 VanDerWaalsContact C-N 3.32Å; E448-W450 PolarHBondContact O-N 3.02Å; E448-N466 PolarHBondContact O-ND2 3.05Å |
| 449 | G | 68.3 | Low | 62.4 | Low | 16 Ų | 16 | 72 Ų | 72 | 17% | 0.165 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 12.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | P447 H465 | P447-G449 PolarHBondContact O-N 3.31Å; G449-H465 WeakPolarHBondContact O-CB 3.38Å; G449-H465 PolarHBondContact O-CD2 3.35Å; G449-H465 PolarHBondContact O-N 2.94Å |
| 450 | W | 73 | Confident | 63.3 | Low | 48 Ų | 48 | 69.9 Ų | 69.9 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.2 | 174.3 | -76.8 | 76.1 | 0 | 0 | 0 | 113.1 | L446 P447 E448 F462 V463 D464 T471 P475 Y738 | L446-W450 HydrophobicContact CB-CB 4.13Å; L446-W450 WeakPolarHBondContact CB-O 3.3Å; L446-W450 VanDerWaalsContact CD1-O 3.31Å; L446-W450 WeakPolarHBondContact CD1-O 3.21Å; P447-W450 HydrophobicContact CB-CG 4.46Å; P447-W450 WeakPolarHBondContact O-CB 3.48Å; P447-W450 PolarHBondContact O-N 3.02Å; E448-W450 VanDerWaalsContact C-N 3.32Å; E448-W450 PolarHBondContact O-N 3.02Å; W450-F462 HydrophobicContact CE3-CB 3.98Å; W450-F462 HydrophobicContact CZ3-CB 4.02Å; W450-V463 CarbonylContact C-O 3.59Å; W450-V463 WeakPolarHBondContact CA-O 3.27Å; W450-D464 HydrophobicContact CD2-CB 3.96Å; W450-D464 HydrophobicContact CE3-CB 4.17Å; W450-D464 HydrophobicContact CH2-CB 4Å; W450-D464 HydrophobicContact CZ2-CB 3.72Å; W450-D464 VanDerWaalsContact CZ2-OD2 3.26Å; W450-D464 WeakPolarHBondContact CZ2-OD2 3.37Å; W450-D464 HydrophobicContact CZ3-CB 4.22Å; W450-T471 HydrophobicContact CH2-CG2 4.01Å; W450-T471 HydrophobicContact CZ3-CG2 3.65Å; W450-P475 HydrophobicContact CB-CG 4.16Å; W450-P475 HydrophobicContact CD2-CB 3.73Å; W450-P475 HydrophobicContact CD2-CG 3.66Å; W450-P475 HydrophobicContact CE3-CB 3.68Å; W450-P475 HydrophobicContact CE3-CG 3.43Å; W450-P475 VanDerWaalsContact CE3-CG 3.43Å; W450-P475 HydrophobicContact CG-CB 4.31Å; W450-P475 HydrophobicContact CG-CG 4.01Å; W450-P475 HydrophobicContact CH2-CB 4.08Å; W450-P475 HydrophobicContact CZ2-CB 4.16Å; W450-P475 HydrophobicContact CZ3-CB 3.85Å; W450-P475 HydrophobicContact CZ3-CG 3.97Å; W450-Y738 WeakPolarHBondContact O-CE1 3.12Å; W450-Y738 PolarHBondContact O-OH 3.14Å |
| 451 | E | 72.3 | Confident | 64.9 | Low | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 148 | 174 | 177.9 | -171.3 | 170.3 | 0 | 0 | 111.1 | R453 F462 V463 H465 K497 Y738 | E451-R453 HydrophobicContact CG-CG 4.11Å; E451-R453 VanDerWaalsContact OE1-CG 3.31Å; E451-R453 WeakPolarHBondContact OE1-CG 3.32Å; E451-R453 IonicContact OE1-CZ 3.92Å; E451-R453 IonicContact OE1-NE 2.81Å; E451-R453 PolarHBondContact OE1-NE 3.28Å; E451-R453 IonicContact OE1-NH2 3.29Å; E451-R453 IonicContact OE2-CZ 3.79Å; E451-R453 IonicContact OE2-NE 2.74Å; E451-R453 PolarHBondContact OE2-NE 2.87Å; E451-R453 IonicContact OE2-NH2 2.77Å; E451-R453 PolarHBondContact OE2-NH2 3.49Å; E451-F462 CarbonylContact O-C 3.53Å; E451-F462 WeakPolarHBondContact O-CA 3.31Å; E451-V463 HydrophobicContact CB-CB 4.29Å; E451-V463 PolarHBondContact N-O 3.34Å; E451-V463 PolarHBondContact O-N 3.26Å; E451-H465 VanDerWaalsContact CB-NE2 3.27Å; E451-H465 WeakPolarHBondContact CB-NE2 3.5Å; E451-H465 IonicContact OE2-CE1 3.85Å; E451-H465 PolarHBondContact OE2-CE1 2.83Å; E451-H465 IonicContact OE2-NE2 2.75Å; E451-H465 PolarHBondContact OE2-NE2 3.25Å; E451-K497 WeakPolarHBondContact OE1-CG 3.49Å; E451-Y738 HydrophobicContact CB-CD1 4.01Å; E451-Y738 HydrophobicContact CB-CE1 4.33Å; E451-Y738 HydrophobicContact CB-CG 4.19Å; E451-Y738 HydrophobicContact CG-CG 4.41Å |
| 452 | M | 71.3 | Confident | 66.6 | Low | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133 | 165.4 | 172.1 | -170.5 | -78.7 | 0 | 0 | 109.6 | L441 L446 F454 Y461 F462 Y500 | L441-M452 HydrophobicContact CD2-CE 3.94Å; L441-M452 HydrophobicContact CD2-SD 3.81Å; L446-M452 HydrophobicContact CD1-CB 3.7Å; M452-F454 HydrophobicContact SD-CZ 4.16Å; M452-Y461 WeakPolarHBondContact CA-O 3.35Å; M452-F462 HydrophobicContact CB-CD1 4.25Å; M452-F462 HydrophobicContact CB-CE1 4.25Å; M452-F462 HydrophobicContact CE-CD1 4.45Å; M452-F462 HydrophobicContact CE-CE1 3.38Å; M452-F462 HydrophobicContact CE-CZ 3.57Å; M452-F462 HydrophobicContact CG-CE1 4.31Å; M452-Y500 HydrophobicContact CB-CE2 3.98Å; M452-Y500 HydrophobicContact CG-CE2 4.22Å; M452-Y500 WeakPolarHBondContact O-CD2 3.49Å; M452-Y500 HydrophobicContact SD-CE2 4.12Å |
| 453 | R | 70.5 | Confident | 67.8 | Low | 10 Ų | 10 | 61.7 Ų | 61.7 | 4% | 0.038 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 177.5 | 175.6 | -67.6 | -169.5 | -179.3 | 161.7 | 12.1 | 110.7 | E451 P460 Y461 V463 V491 A496 | E451-R453 HydrophobicContact CG-CG 4.11Å; E451-R453 VanDerWaalsContact OE1-CG 3.31Å; E451-R453 WeakPolarHBondContact OE1-CG 3.32Å; E451-R453 IonicContact OE1-CZ 3.92Å; E451-R453 IonicContact OE1-NE 2.81Å; E451-R453 PolarHBondContact OE1-NE 3.28Å; E451-R453 IonicContact OE1-NH2 3.29Å; E451-R453 IonicContact OE2-CZ 3.79Å; E451-R453 IonicContact OE2-NE 2.74Å; E451-R453 PolarHBondContact OE2-NE 2.87Å; E451-R453 IonicContact OE2-NH2 2.77Å; E451-R453 PolarHBondContact OE2-NH2 3.49Å; R453-P460 CarbonylContact O-C 3.47Å; R453-P460 VanDerWaalsContact O-CA 3.23Å; R453-P460 WeakPolarHBondContact O-CA 3.46Å; R453-Y461 HydrophobicContact CB-CD1 4.03Å; R453-Y461 HydrophobicContact CB-CD2 4.34Å; R453-Y461 HydrophobicContact CB-CE1 3.53Å; R453-Y461 HydrophobicContact CB-CE2 3.88Å; R453-Y461 HydrophobicContact CB-CG 4.42Å; R453-Y461 VanDerWaalsContact CB-CZ 3.44Å; R453-Y461 VanDerWaalsContact CD-OH 3.3Å; R453-Y461 WeakPolarHBondContact CD-OH 3.37Å; R453-Y461 HydrophobicContact CG-CE2 4.47Å; R453-Y461 PolarHBondContact N-O 2.78Å; R453-Y461 PolarHBondContact O-N 3.18Å; R453-V463 HydrophobicContact CG-CG2 4.21Å; R453-V491 PolarHBondContact NH1-O 2.95Å; R453-V491 PolarHBondContact NH2-O 2.97Å; R453-A496 HydrophobicContact CG-CB 4.32Å |
| 454 | F | 66 | Low | 69.1 | Low | 100 Ų | 100 | 54.7 Ų | 54.7 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.9 | 174.5 | -62.1 | -89.9 | 0 | 0 | 0 | 110.4 | M452 H458 I459 P460 Y461 | M452-F454 HydrophobicContact SD-CZ 4.16Å; F454-H458 WeakPolarHBondContact CD1-O 3.35Å; F454-I459 CarbonylContact C-O 3.59Å; F454-I459 WeakPolarHBondContact CA-O 3.39Å; F454-P460 HydrophobicContact CD1-CB 3.87Å; F454-P460 HydrophobicContact CE1-CB 3.68Å; F454-P460 HydrophobicContact CE1-CG 4.24Å; F454-P460 HydrophobicContact CZ-CB 4.45Å; F454-Y461 WeakPolarHBondContact O-CE1 3.47Å |
| 455 | T | 66.3 | Low | 70 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | trans | -71.5 | 173.9 | 168.3 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | D457 H458 I459 Y461 Y472 I488 | T455-D457 PolarHBondContact O-N 3.24Å; T455-D457 PolarHBondContact OG1-N 3.46Å; T455-H458 PolarHBondContact O-N 3.34Å; T455-I459 HydrophobicContact CG2-CB 4.24Å; T455-I459 PolarHBondContact N-O 3.06Å; T455-I459 WeakPolarHBondContact OG1-CB 3.32Å; T455-I459 PolarHBondContact OG1-N 3.18Å; T455-I459 VanDerWaalsContact OG1-N 3.14Å; T455-Y461 HydrophobicContact CG2-CD1 4Å; T455-Y461 HydrophobicContact CG2-CE1 4.36Å; T455-Y472 HydrophobicContact CG2-CE1 4.27Å; T455-I488 HydrophobicContact CG2-CD1 4.04Å | ||
| 456 | V | 61.2 | Low | 70.8 | Confident | 137 Ų | 137 | 50.6 Ų | 50.6 | 83% | 0.83 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -34.2 | 171.5 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | H458 | V456-H458 PolarHBondContact O-N 2.88Š|
| 457 | D | 62.8 | Low | 71.3 | Confident | 128 Ų | 128 | 59.5 Ų | 59.5 | 68% | 0.684 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 15.6 | 176.7 | -41.2 | -81.5 | 0 | 0 | 0 | 113.5 | T455 I459 | T455-D457 PolarHBondContact O-N 3.24Å; T455-D457 PolarHBondContact OG1-N 3.46Å; D457-I459 HydrophobicContact CB-CD1 4.4Å; D457-I459 HydrophobicContact CB-CG1 4.36Å; D457-I459 PolarHBondContact O-N 3.19Å |
| 458 | H | 56.1 | Low | 71.3 | Confident | 126 Ų | 126 | 62.7 Ų | 62.7 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | trans | 59 | 20.1 | -178.4 | -57.2 | -83.5 | 0 | 0 | 0 | 115.7 | F454 T455 V456 P460 | F454-H458 WeakPolarHBondContact CD1-O 3.35Å; T455-H458 PolarHBondContact O-N 3.34Å; V456-H458 PolarHBondContact O-N 2.88Å; H458-P460 WeakPolarHBondContact O-CD 2.98Å | ||
| 459 | I | 68.1 | Low | 72 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | trans | -78.2 | 122.4 | 174.4 | -58.5 | 173.5 | 0 | 0 | 0 | 108.4 | F454 T455 D457 Y472 F482 | F454-I459 CarbonylContact C-O 3.59Å; F454-I459 WeakPolarHBondContact CA-O 3.39Å; T455-I459 HydrophobicContact CG2-CB 4.24Å; T455-I459 PolarHBondContact N-O 3.06Å; T455-I459 WeakPolarHBondContact OG1-CB 3.32Å; T455-I459 PolarHBondContact OG1-N 3.18Å; T455-I459 VanDerWaalsContact OG1-N 3.14Å; D457-I459 HydrophobicContact CB-CD1 4.4Å; D457-I459 HydrophobicContact CB-CG1 4.36Å; D457-I459 PolarHBondContact O-N 3.19Å; I459-Y472 HydrophobicContact CG2-CD1 4.16Å; I459-Y472 HydrophobicContact CG2-CE1 4Å; I459-F482 HydrophobicContact CD1-CD1 4.29Å; I459-F482 HydrophobicContact CD1-CD2 4Å; I459-F482 HydrophobicContact CD1-CE1 4.29Å; I459-F482 HydrophobicContact CD1-CE2 3.99Å; I459-F482 HydrophobicContact CD1-CG 4.17Å; I459-F482 HydrophobicContact CD1-CZ 4.15Å; I459-F482 HydrophobicContact CG2-CB 3.76Å; I459-F482 HydrophobicContact CG2-CG 4.15Å | ||
| 460 | P | 69 | Low | 72.8 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 144.6 | 177.8 | 22 | -27.3 | 0 | 0 | 0 | 111.5 | R453 F454 H458 S481 | R453-P460 CarbonylContact O-C 3.47Å; R453-P460 VanDerWaalsContact O-CA 3.23Å; R453-P460 WeakPolarHBondContact O-CA 3.46Å; F454-P460 HydrophobicContact CD1-CB 3.87Å; F454-P460 HydrophobicContact CE1-CB 3.68Å; F454-P460 HydrophobicContact CE1-CG 4.24Å; F454-P460 HydrophobicContact CZ-CB 4.45Å; H458-P460 WeakPolarHBondContact O-CD 2.98Å; P460-S481 VanDerWaalsContact O-CB 3.28Å; P460-S481 WeakPolarHBondContact O-CB 3.44Å; P460-S481 PolarHBondContact O-OG 3.28Å |
| 461 | Y | 78.3 | Confident | 73.4 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 9% | 0.09 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 166.4 | 169.8 | 72.3 | -87.9 | 0 | 0 | 0 | 110.1 | M452 R453 F454 T455 V463 T470 I488 | M452-Y461 WeakPolarHBondContact CA-O 3.35Å; R453-Y461 HydrophobicContact CB-CD1 4.03Å; R453-Y461 HydrophobicContact CB-CD2 4.34Å; R453-Y461 HydrophobicContact CB-CE1 3.53Å; R453-Y461 HydrophobicContact CB-CE2 3.88Å; R453-Y461 HydrophobicContact CB-CG 4.42Å; R453-Y461 VanDerWaalsContact CB-CZ 3.44Å; R453-Y461 VanDerWaalsContact CD-OH 3.3Å; R453-Y461 WeakPolarHBondContact CD-OH 3.37Å; R453-Y461 HydrophobicContact CG-CE2 4.47Å; R453-Y461 PolarHBondContact N-O 2.78Å; R453-Y461 PolarHBondContact O-N 3.18Å; F454-Y461 WeakPolarHBondContact O-CE1 3.47Å; T455-Y461 HydrophobicContact CG2-CD1 4Å; T455-Y461 HydrophobicContact CG2-CE1 4.36Å; Y461-V463 HydrophobicContact CD2-CG2 4.04Å; Y461-V463 HydrophobicContact CE2-CG2 3.62Å; Y461-T470 HydrophobicContact CE2-CG2 4.35Å; Y461-I488 HydrophobicContact CD1-CD1 3.56Å; Y461-I488 HydrophobicContact CD2-CD1 3.71Å; Y461-I488 HydrophobicContact CE1-CD1 3.68Å; Y461-I488 HydrophobicContact CE2-CB 4.43Å; Y461-I488 HydrophobicContact CE2-CD1 3.83Å; Y461-I488 HydrophobicContact CE2-CG2 3.87Å; Y461-I488 HydrophobicContact CG-CD1 3.56Å |
| 462 | F | 82.3 | Confident | 74 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.022 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.9 | -170.6 | -55.9 | -91.6 | 0 | 0 | 0 | 110.4 | L446 W450 E451 M452 T470 T471 I473 D474 | L446-F462 HydrophobicContact CD2-CD1 3.88Å; L446-F462 HydrophobicContact CD2-CE1 3.93Å; W450-F462 HydrophobicContact CE3-CB 3.98Å; W450-F462 HydrophobicContact CZ3-CB 4.02Å; E451-F462 CarbonylContact O-C 3.53Å; E451-F462 WeakPolarHBondContact O-CA 3.31Å; M452-F462 HydrophobicContact CB-CD1 4.25Å; M452-F462 HydrophobicContact CB-CE1 4.25Å; M452-F462 HydrophobicContact CE-CD1 4.45Å; M452-F462 HydrophobicContact CE-CE1 3.38Å; M452-F462 HydrophobicContact CE-CZ 3.57Å; M452-F462 HydrophobicContact CG-CE1 4.31Å; F462-T470 CarbonylContact O-C 3.47Å; F462-T470 WeakPolarHBondContact O-CA 3.46Å; F462-T471 HydrophobicContact CB-CG2 4.24Å; F462-T471 PolarHBondContact N-O 2.78Å; F462-T471 PolarHBondContact O-N 3.26Å; F462-I473 VanDerWaalsContact CD2-C 3.47Å; F462-I473 WeakPolarHBondContact CD2-O 3.44Å; F462-D474 HydrophobicContact CD2-CB 4.46Å; F462-D474 HydrophobicContact CE1-CB 3.79Å; F462-D474 VanDerWaalsContact CE2-CA 3.45Å; F462-D474 HydrophobicContact CE2-CB 3.69Å; F462-D474 VanDerWaalsContact CZ-CA 3.46Å; F462-D474 HydrophobicContact CZ-CB 3.3Å; F462-D474 VanDerWaalsContact CZ-CG 3.47Å; F462-D474 WeakPolarHBondContact CZ-OD2 3.32Å |
| 463 | V | 79.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 111.9 | -177.1 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | W450 E451 R453 Y461 H465 T470 Y490 | W450-V463 CarbonylContact C-O 3.59Å; W450-V463 WeakPolarHBondContact CA-O 3.27Å; E451-V463 HydrophobicContact CB-CB 4.29Å; E451-V463 PolarHBondContact N-O 3.34Å; E451-V463 PolarHBondContact O-N 3.26Å; R453-V463 HydrophobicContact CG-CG2 4.21Å; Y461-V463 HydrophobicContact CD2-CG2 4.04Å; Y461-V463 HydrophobicContact CE2-CG2 3.62Å; V463-H465 PolarHBondContact O-N 3.05Å; V463-T470 HydrophobicContact CG1-CG2 4.43Å; V463-T470 HydrophobicContact CG2-CG2 4.09Å; V463-Y490 HydrophobicContact CG1-CD2 3.53Å; V463-Y490 HydrophobicContact CG1-CE2 3.59Å |
| 464 | D | 81.5 | Confident | 75.1 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.043 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 101.5 | 172.5 | -177 | -13.7 | 0 | 0 | 0 | 108.3 | W450 N466 R467 R468 T469 | W450-D464 HydrophobicContact CD2-CB 3.96Å; W450-D464 HydrophobicContact CE3-CB 4.17Å; W450-D464 HydrophobicContact CH2-CB 4Å; W450-D464 HydrophobicContact CZ2-CB 3.72Å; W450-D464 VanDerWaalsContact CZ2-OD2 3.26Å; W450-D464 WeakPolarHBondContact CZ2-OD2 3.37Å; W450-D464 HydrophobicContact CZ3-CB 4.22Å; D464-N466 VanDerWaalsContact C-N 3.31Å; D464-N466 WeakPolarHBondContact OD1-CA 3.37Å; D464-N466 VanDerWaalsContact OD1-CB 3.23Å; D464-N466 WeakPolarHBondContact OD1-CB 3.47Å; D464-N466 PolarHBondContact OD1-N 3.48Å; D464-N466 PolarHBondContact OD1-ND2 2.89Å; D464-R467 HydrophobicContact CB-CB 4.46Å; D464-R467 PolarHBondContact OD1-N 3.48Å; D464-R467 WeakPolarHBondContact OD2-CB 3.47Å; D464-R467 WeakPolarHBondContact OD2-CD 3.32Å; D464-R467 WeakPolarHBondContact OD2-CG 3.38Å; D464-R468 CarbonylContact O-C 3.56Å; D464-R468 WeakPolarHBondContact O-CA 3.28Å; D464-R468 PolarHBondContact O-N 2.84Å; D464-T469 PolarHBondContact N-O 2.79Å; D464-T469 PolarHBondContact O-N 3.4Å |
| 465 | H | 73.3 | Confident | 75.8 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26.7 | 176 | -59 | -73.9 | 0 | 0 | 0 | 112.8 | G449 E451 V463 R467 Y490 | G449-H465 WeakPolarHBondContact O-CB 3.38Å; G449-H465 PolarHBondContact O-CD2 3.35Å; G449-H465 PolarHBondContact O-N 2.94Å; E451-H465 VanDerWaalsContact CB-NE2 3.27Å; E451-H465 WeakPolarHBondContact CB-NE2 3.5Å; E451-H465 IonicContact OE2-CE1 3.85Å; E451-H465 PolarHBondContact OE2-CE1 2.83Å; E451-H465 IonicContact OE2-NE2 2.75Å; E451-H465 PolarHBondContact OE2-NE2 3.25Å; V463-H465 PolarHBondContact O-N 3.05Å; H465-R467 VanDerWaalsContact C-N 3.34Å; H465-Y490 HydrophobicContact CB-CE2 4.36Å; H465-Y490 AromaticContact ND1-CE2 3.39Å; H465-Y490 WeakPolarHBondContact ND1-CE2 3.48Å; H465-Y490 AromaticContact ND1-CZ 3.59Å; H465-Y490 PolarHBondContact ND1-OH 2.92Å |
| 466 | N | 76.4 | Confident | 76.5 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -41.4 | 178.5 | -42.3 | -75.3 | 0 | 0 | 0 | 110.3 | E448 D464 | E448-N466 PolarHBondContact O-ND2 3.05Å; D464-N466 VanDerWaalsContact C-N 3.31Å; D464-N466 WeakPolarHBondContact OD1-CA 3.37Å; D464-N466 VanDerWaalsContact OD1-CB 3.23Å; D464-N466 WeakPolarHBondContact OD1-CB 3.47Å; D464-N466 PolarHBondContact OD1-N 3.48Å; D464-N466 PolarHBondContact OD1-ND2 2.89Å |
| 467 | R | 78.8 | Confident | 77.3 | Confident | 193 Ų | 193 | 57.8 Ų | 57.8 | 73% | 0.728 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -6.7 | -179.8 | -55.8 | -175.3 | 77.8 | -174.3 | 3.8 | 113.9 | D464 H465 T469 | D464-R467 HydrophobicContact CB-CB 4.46Å; D464-R467 PolarHBondContact OD1-N 3.48Å; D464-R467 WeakPolarHBondContact OD2-CB 3.47Å; D464-R467 WeakPolarHBondContact OD2-CD 3.32Å; D464-R467 WeakPolarHBondContact OD2-CG 3.38Å; H465-R467 VanDerWaalsContact C-N 3.34Å; R467-T469 VanDerWaalsContact C-N 3.33Å; R467-T469 PolarHBondContact O-N 2.82Å |
| 468 | R | 75.9 | Confident | 78.1 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 41.9 | -177.2 | -57.9 | 169.8 | 171.6 | -125.9 | -11.4 | 112.7 | D464 Y490 E862 | D464-R468 CarbonylContact O-C 3.56Å; D464-R468 WeakPolarHBondContact O-CA 3.28Å; D464-R468 PolarHBondContact O-N 2.84Å; R468-Y490 HydrophobicContact CB-CD1 4.28Å; R468-Y490 HydrophobicContact CB-CD2 4.3Å; R468-Y490 HydrophobicContact CB-CE1 4.48Å; R468-Y490 HydrophobicContact CB-CG 4.19Å; R468-Y490 HydrophobicContact CG-CE1 4.41Å; R468-Y490 WeakPolarHBondContact O-CB 3.36Å; R468-E862 IonicContact CZ-OE1 2.82Å; R468-E862 VanDerWaalsContact CZ-OE1 3.29Å; R468-E862 IonicContact CZ-OE2 3.32Å; R468-E862 IonicContact NH1-OE1 2.78Å; R468-E862 PolarHBondContact NH1-OE1 2.87Å; R468-E862 IonicContact NH1-OE2 3.84Å; R468-E862 VanDerWaalsContact NH2-CD 3.28Å; R468-E862 IonicContact NH2-OE1 3.55Å; R468-E862 PolarHBondContact NH2-OE1 3.01Å; R468-E862 VanDerWaalsContact NH2-OE1 3.1Å; R468-E862 IonicContact NH2-OE2 2.71Å; R468-E862 PolarHBondContact NH2-OE2 3.04Å |
| 469 | T | 82.2 | Confident | 79.1 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162 | -175.7 | 47.2 | 0 | 0 | 0 | 0 | 112 | D464 R467 | D464-T469 PolarHBondContact N-O 2.79Å; D464-T469 PolarHBondContact O-N 3.4Å; R467-T469 VanDerWaalsContact C-N 3.33Å; R467-T469 PolarHBondContact O-N 2.82Å |
| 470 | T | 85.4 | Confident | 79.6 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.8 | 171.2 | 73.9 | 0 | 0 | 0 | 0 | 111.4 | Y461 F462 V463 I488 | Y461-T470 HydrophobicContact CE2-CG2 4.35Å; F462-T470 CarbonylContact O-C 3.47Å; F462-T470 WeakPolarHBondContact O-CA 3.46Å; V463-T470 HydrophobicContact CG1-CG2 4.43Å; V463-T470 HydrophobicContact CG2-CG2 4.09Å; T470-I488 HydrophobicContact CG2-CB 4.3Å; T470-I488 HydrophobicContact CG2-CG2 4.22Å; T470-I488 PolarHBondContact OG1-O 3.33Å |
| 471 | T | 84.9 | Confident | 79.8 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 157.7 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | W450 F462 I473 | W450-T471 HydrophobicContact CH2-CG2 4.01Å; W450-T471 HydrophobicContact CZ3-CG2 3.65Å; F462-T471 HydrophobicContact CB-CG2 4.24Å; F462-T471 PolarHBondContact N-O 2.78Å; F462-T471 PolarHBondContact O-N 3.26Å; T471-I473 VanDerWaalsContact C-N 3.29Å; T471-I473 HydrophobicContact CG2-CB 4.36Å; T471-I473 WeakPolarHBondContact CG2-O 3.38Å; T471-I473 PolarHBondContact OG1-N 2.93Å; T471-I473 VanDerWaalsContact OG1-N 3.13Å |
| 472 | Y | 84.1 | Confident | 79.6 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -84.7 | -5 | 169.5 | -69 | -82.4 | 0 | 0 | 0 | 112.6 | T455 I459 S480 S481 F482 I488 | T455-Y472 HydrophobicContact CG2-CE1 4.27Å; I459-Y472 HydrophobicContact CG2-CD1 4.16Å; I459-Y472 HydrophobicContact CG2-CE1 4Å; Y472-S480 WeakPolarHBondContact CB-OG 3.35Å; Y472-S480 CarbonylContact O-C 3.54Å; Y472-S480 WeakPolarHBondContact O-CA 3.2Å; Y472-S480 PolarHBondContact O-OG 2.83Å; Y472-S481 PolarHBondContact O-N 3.08Å; Y472-S481 PolarHBondContact O-OG 3.07Å; Y472-F482 HydrophobicContact CD1-CB 3.73Å; Y472-F482 HydrophobicContact CE1-CB 4.15Å; Y472-F482 HydrophobicContact CE1-CD1 4.33Å; Y472-F482 HydrophobicContact CG-CB 4.06Å; Y472-I488 HydrophobicContact CE1-CD1 4.48Å |
| 473 | I | 84.2 | Confident | 78.7 | Confident | 79 Ų | 79 | 67 Ų | 67 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -84.8 | 122.8 | -178.7 | -56.3 | 172.2 | 0 | 0 | 0 | 110.8 | F462 T471 K479 | F462-I473 VanDerWaalsContact CD2-C 3.47Å; F462-I473 WeakPolarHBondContact CD2-O 3.44Å; T471-I473 VanDerWaalsContact C-N 3.29Å; T471-I473 HydrophobicContact CG2-CB 4.36Å; T471-I473 WeakPolarHBondContact CG2-O 3.38Å; T471-I473 PolarHBondContact OG1-N 2.93Å; T471-I473 VanDerWaalsContact OG1-N 3.13Å; I473-K479 WeakPolarHBondContact CA-O 3.37Å |
| 474 | D | 81.7 | Confident | 78.1 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.043 | 39% | 0.385 | C | S | . | . | trans | -69.6 | 118.6 | 174.8 | -171.9 | -44 | 0 | 0 | 0 | 110.3 | F462 R476 T477 G478 K479 | F462-D474 HydrophobicContact CD2-CB 4.46Å; F462-D474 HydrophobicContact CE1-CB 3.79Å; F462-D474 VanDerWaalsContact CE2-CA 3.45Å; F462-D474 HydrophobicContact CE2-CB 3.69Å; F462-D474 VanDerWaalsContact CZ-CA 3.46Å; F462-D474 HydrophobicContact CZ-CB 3.3Å; F462-D474 VanDerWaalsContact CZ-CG 3.47Å; F462-D474 WeakPolarHBondContact CZ-OD2 3.32Å; D474-R476 PolarHBondContact O-N 3.16Å; D474-R476 VanDerWaalsContact O-N 3.09Å; D474-R476 WeakPolarHBondContact OD1-CA 3.36Å; D474-R476 WeakPolarHBondContact OD1-CB 3.44Å; D474-R476 WeakPolarHBondContact OD1-CG 3.38Å; D474-R476 IonicContact OD1-CZ 2.99Å; D474-R476 PolarHBondContact OD1-N 2.84Å; D474-R476 IonicContact OD1-NE 2.76Å; D474-R476 PolarHBondContact OD1-NE 2.91Å; D474-R476 IonicContact OD1-NH2 2.74Å; D474-R476 IonicContact OD2-CZ 3.59Å; D474-R476 IonicContact OD2-NE 3.21Å; D474-R476 PolarHBondContact OD2-NE 2.8Å; D474-R476 IonicContact OD2-NH2 2.76Å; D474-R476 PolarHBondContact OD2-NH2 3.02Å; D474-T477 PolarHBondContact O-N 2.85Å; D474-T477 VanDerWaalsContact O-N 3.12Å; D474-G478 PolarHBondContact O-N 2.94Å; D474-K479 PolarHBondContact N-O 3.11Å | ||
| 475 | P | 81.2 | Confident | 77.1 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.2 | -176.1 | 31.5 | -40.3 | 0 | 0 | 0 | 113.5 | L446 P447 W450 | L446-P475 HydrophobicContact CD2-CG 3.71Å; P447-P475 HydrophobicContact CG-CB 4.13Å; P447-P475 HydrophobicContact CG-CG 4.25Å; W450-P475 HydrophobicContact CB-CG 4.16Å; W450-P475 HydrophobicContact CD2-CB 3.73Å; W450-P475 HydrophobicContact CD2-CG 3.66Å; W450-P475 HydrophobicContact CE3-CB 3.68Å; W450-P475 HydrophobicContact CE3-CG 3.43Å; W450-P475 VanDerWaalsContact CE3-CG 3.43Å; W450-P475 HydrophobicContact CG-CB 4.31Å; W450-P475 HydrophobicContact CG-CG 4.01Å; W450-P475 HydrophobicContact CH2-CB 4.08Å; W450-P475 HydrophobicContact CZ2-CB 4.16Å; W450-P475 HydrophobicContact CZ3-CB 3.85Å; W450-P475 HydrophobicContact CZ3-CG 3.97Å |
| 476 | R | 79.7 | Confident | 77.1 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 18% | 0.177 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -17.2 | 178.8 | -51.3 | 165.7 | -69.3 | -176.9 | 1 | 113.2 | N442 K444 P445 L446 D474 | N442-R476 PolarHBondContact O-NH1 2.88Å; K444-R476 VanDerWaalsContact O-CD 3.23Å; K444-R476 WeakPolarHBondContact O-CD 3.32Å; K444-R476 PolarHBondContact O-NH1 3.22Å; P445-R476 WeakPolarHBondContact O-CD 3.2Å; L446-R476 HydrophobicContact CD2-CG 4.07Å; D474-R476 PolarHBondContact O-N 3.16Å; D474-R476 VanDerWaalsContact O-N 3.09Å; D474-R476 WeakPolarHBondContact OD1-CA 3.36Å; D474-R476 WeakPolarHBondContact OD1-CB 3.44Å; D474-R476 WeakPolarHBondContact OD1-CG 3.38Å; D474-R476 IonicContact OD1-CZ 2.99Å; D474-R476 PolarHBondContact OD1-N 2.84Å; D474-R476 IonicContact OD1-NE 2.76Å; D474-R476 PolarHBondContact OD1-NE 2.91Å; D474-R476 IonicContact OD1-NH2 2.74Å; D474-R476 IonicContact OD2-CZ 3.59Å; D474-R476 IonicContact OD2-NE 3.21Å; D474-R476 PolarHBondContact OD2-NE 2.8Å; D474-R476 IonicContact OD2-NH2 2.76Å; D474-R476 PolarHBondContact OD2-NH2 3.02Å |
| 477 | T | 79.4 | Confident | 76.8 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -14.8 | -171 | 76.4 | 0 | 0 | 0 | 0 | 115 | N442 D474 K479 | N442-T477 HydrophobicContact CB-CG2 4.35Å; D474-T477 PolarHBondContact O-N 2.85Å; D474-T477 VanDerWaalsContact O-N 3.12Å; T477-K479 PolarHBondContact O-N 3.01Å; T477-K479 PolarHBondContact OG1-N 3.16Å |
| 478 | G | 79.4 | Confident | 76.5 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 62% | 0.619 | 41% | 0.407 | S | S | * | . | trans | 70.4 | 2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D474 | D474-G478 PolarHBondContact O-N 2.94Š| ||
| 479 | K | 76.8 | Confident | 76.4 | Confident | 141 Ų | 141 | 74.8 Ų | 74.8 | 61% | 0.613 | 42% | 0.417 | S | S | * | . | trans | -83.2 | 136.5 | 177.4 | -62.1 | -178 | 179.3 | -178.4 | 0 | 110.5 | I473 D474 T477 | I473-K479 WeakPolarHBondContact CA-O 3.37Å; D474-K479 PolarHBondContact N-O 3.11Å; T477-K479 PolarHBondContact O-N 3.01Å; T477-K479 PolarHBondContact OG1-N 3.16Å | ||
| 480 | S | 77.6 | Confident | 75.6 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -80.3 | 138 | 166.4 | -151.7 | 0 | 0 | 0 | 0 | 110.7 | Y472 F482 | Y472-S480 WeakPolarHBondContact CB-OG 3.35Å; Y472-S480 CarbonylContact O-C 3.54Å; Y472-S480 WeakPolarHBondContact O-CA 3.2Å; Y472-S480 PolarHBondContact O-OG 2.83Å; S480-F482 VanDerWaalsContact C-N 3.3Å; S480-F482 PolarHBondContact OG-O 3.32Å |
| 481 | S | 72.9 | Confident | 74.6 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 24% | 0.238 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -74.8 | -22.1 | 166.9 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | P460 Y472 | P460-S481 VanDerWaalsContact O-CB 3.28Å; P460-S481 WeakPolarHBondContact O-CB 3.44Å; P460-S481 PolarHBondContact O-OG 3.28Å; Y472-S481 PolarHBondContact O-N 3.08Å; Y472-S481 PolarHBondContact O-OG 3.07Å |
| 482 | F | 74.9 | Confident | 73.7 | Confident | 86 Ų | 86 | 76.1 Ų | 76.1 | 38% | 0.377 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -153.8 | 137.3 | -178.8 | -162.5 | -129.3 | 0 | 0 | 0 | 110.6 | I459 Y472 S480 G485 | I459-F482 HydrophobicContact CD1-CD1 4.29Å; I459-F482 HydrophobicContact CD1-CD2 4Å; I459-F482 HydrophobicContact CD1-CE1 4.29Å; I459-F482 HydrophobicContact CD1-CE2 3.99Å; I459-F482 HydrophobicContact CD1-CG 4.17Å; I459-F482 HydrophobicContact CD1-CZ 4.15Å; I459-F482 HydrophobicContact CG2-CB 3.76Å; I459-F482 HydrophobicContact CG2-CG 4.15Å; Y472-F482 HydrophobicContact CD1-CB 3.73Å; Y472-F482 HydrophobicContact CE1-CB 4.15Å; Y472-F482 HydrophobicContact CE1-CD1 4.33Å; Y472-F482 HydrophobicContact CG-CB 4.06Å; S480-F482 VanDerWaalsContact C-N 3.3Å; S480-F482 PolarHBondContact OG-O 3.32Å; F482-G485 VanDerWaalsContact CD1-CA 3.5Å |
| 483 | E | 64 | Low | 73.2 | Confident | 162 Ų | 162 | 77.7 Ų | 77.7 | 76% | 0.757 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -94.3 | 133.6 | 177.1 | -65.1 | -170.6 | 158 | 0 | 0 | 110.2 | G485 | E483-G485 VanDerWaalsContact C-N 3.3Å; E483-G485 PolarHBondContact O-N 2.84Å |
| 484 | N | 65.3 | Low | 72.9 | Confident | 168 Ų | 168 | 74.1 Ų | 74.1 | 90% | 0.898 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 56.6 | 34.5 | 178.2 | -54 | -55.8 | 0 | 0 | 0 | 115.3 | ||
| 485 | G | 62.2 | Low | 72.7 | Confident | 22 Ų | 22 | 78.2 Ų | 78.2 | 23% | 0.227 | 42% | 0.424 | C | S | . | . | trans | -66.1 | 158.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F482 E483 | F482-G485 VanDerWaalsContact CD1-CA 3.5Å; E483-G485 VanDerWaalsContact C-N 3.3Å; E483-G485 PolarHBondContact O-N 2.84Å | ||
| 486 | P | 71.6 | Confident | 72.2 | Confident | 94 Ų | 94 | 77 Ų | 77 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | trans | -63 | 144.1 | 176.5 | 28.3 | -35.6 | 0 | 0 | 0 | 111.4 | I488 | P486-I488 PolarHBondContact O-N 3.18Å; P486-I488 VanDerWaalsContact O-N 3.1Å | ||
| 487 | Q | 70.4 | Confident | 72.2 | Confident | 192 Ų | 192 | 75.1 Ų | 75.1 | 90% | 0.897 | 41% | 0.411 | S | S | * | . | trans | -70.5 | 108.9 | 178.8 | -173.7 | 174.7 | 0.9 | 0 | 0 | 110.7 | ||||
| 488 | I | 73.9 | Confident | 72.3 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 21% | 0.205 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 140.4 | 176.6 | -58 | 173.6 | 0 | 0 | 0 | 109.1 | T455 Y461 T470 Y472 P486 | T455-I488 HydrophobicContact CG2-CD1 4.04Å; Y461-I488 HydrophobicContact CD1-CD1 3.56Å; Y461-I488 HydrophobicContact CD2-CD1 3.71Å; Y461-I488 HydrophobicContact CE1-CD1 3.68Å; Y461-I488 HydrophobicContact CE2-CB 4.43Å; Y461-I488 HydrophobicContact CE2-CD1 3.83Å; Y461-I488 HydrophobicContact CE2-CG2 3.87Å; Y461-I488 HydrophobicContact CG-CD1 3.56Å; T470-I488 HydrophobicContact CG2-CB 4.3Å; T470-I488 HydrophobicContact CG2-CG2 4.22Å; T470-I488 PolarHBondContact OG1-O 3.33Å; Y472-I488 HydrophobicContact CE1-CD1 4.48Å; P486-I488 PolarHBondContact O-N 3.18Å; P486-I488 VanDerWaalsContact O-N 3.1Å |
| 489 | T | 72.1 | Confident | 72.2 | Confident | 112 Ų | 112 | 74.2 Ų | 74.2 | 69% | 0.687 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 140.7 | 176 | -58.9 | 0 | 0 | 0 | 0 | 110 | V491 | T489-V491 PolarHBondContact O-N 2.79Š|
| 490 | Y | 66.4 | Low | 72.1 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 19% | 0.192 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 127.8 | 174.3 | 178.1 | -87.8 | 0 | 0 | 0 | 111.2 | V463 H465 R468 | V463-Y490 HydrophobicContact CG1-CD2 3.53Å; V463-Y490 HydrophobicContact CG1-CE2 3.59Å; H465-Y490 HydrophobicContact CB-CE2 4.36Å; H465-Y490 AromaticContact ND1-CE2 3.39Å; H465-Y490 WeakPolarHBondContact ND1-CE2 3.48Å; H465-Y490 AromaticContact ND1-CZ 3.59Å; H465-Y490 PolarHBondContact ND1-OH 2.92Å; R468-Y490 HydrophobicContact CB-CD1 4.28Å; R468-Y490 HydrophobicContact CB-CD2 4.3Å; R468-Y490 HydrophobicContact CB-CE1 4.48Å; R468-Y490 HydrophobicContact CB-CG 4.19Å; R468-Y490 HydrophobicContact CG-CE1 4.41Å; R468-Y490 WeakPolarHBondContact O-CB 3.36Å |
| 491 | V | 64.8 | Low | 72.3 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 47% | 0.473 | 34% | 0.344 | S | S | . | . | trans | -142.6 | 137.5 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | R453 T489 D493 | R453-V491 PolarHBondContact NH1-O 2.95Å; R453-V491 PolarHBondContact NH2-O 2.97Å; T489-V491 PolarHBondContact O-N 2.79Å; V491-D493 HydrophobicContact CG1-CB 4.43Å; V491-D493 PolarHBondContact O-N 3.24Å | ||
| 492 | R | 65.8 | Low | 72.8 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 15% | 0.151 | 34% | 0.337 | C | S | . | . | trans | -74.3 | 63 | 168.1 | -84.6 | -173.5 | 160.8 | 109.2 | -3.2 | 111.2 | F494 R792 E861 E862 | R492-F494 PolarHBondContact O-N 3.32Å; R492-R792 PolarHBondContact O-NH1 2.8Å; R492-R792 PolarHBondContact O-NH2 3.18Å; R492-E861 WeakPolarHBondContact CD-O 3.49Å; R492-E861 VanDerWaalsContact CZ-O 3.29Å; R492-E861 PolarHBondContact NH1-O 2.8Å; R492-E862 IonicContact CZ-OE2 3.24Å; R492-E862 VanDerWaalsContact NH1-CD 3.31Å; R492-E862 IonicContact NH1-OE1 2.93Å; R492-E862 IonicContact NH1-OE2 2.72Å; R492-E862 PolarHBondContact NH1-OE2 2.73Å; R492-E862 IonicContact NH2-OE2 3.62Å | ||
| 493 | D | 73.1 | Confident | 72.9 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | trans | -74.4 | 98.7 | 177.7 | -174.7 | -17.2 | 0 | 0 | 0 | 110.6 | V491 K495 A496 K497 | V491-D493 HydrophobicContact CG1-CB 4.43Å; V491-D493 PolarHBondContact O-N 3.24Å; D493-K495 VanDerWaalsContact C-N 3.33Å; D493-K495 WeakPolarHBondContact OD1-CA 3.4Å; D493-K495 WeakPolarHBondContact OD1-CB 3.49Å; D493-K495 PolarHBondContact OD1-N 2.67Å; D493-A496 HydrophobicContact CB-CB 4.04Å; D493-A496 PolarHBondContact OD1-N 3.16Å; D493-K497 PolarHBondContact O-N 3.12Å | ||
| 494 | F | 77.9 | Confident | 73.6 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -34.8 | 177.5 | 174.2 | -121.4 | 0 | 0 | 0 | 112.3 | I385 R492 K497 V498 F739 E743 V746 M747 | I385-F494 HydrophobicContact CD1-CE1 3.94Å; I385-F494 HydrophobicContact CD1-CZ 3.76Å; I385-F494 HydrophobicContact CG1-CE1 4.1Å; I385-F494 HydrophobicContact CG1-CZ 4.43Å; R492-F494 PolarHBondContact O-N 3.32Å; F494-K497 PolarHBondContact O-N 2.74Å; F494-V498 HydrophobicContact CD1-CG2 4.4Å; F494-V498 HydrophobicContact CD2-CG2 3.97Å; F494-V498 HydrophobicContact CE1-CG2 4.04Å; F494-V498 HydrophobicContact CE2-CG2 3.57Å; F494-V498 HydrophobicContact CG-CG2 4.38Å; F494-V498 HydrophobicContact CZ-CG2 3.63Å; F494-V498 VanDerWaalsContact O-CG2 3.32Å; F494-V498 WeakPolarHBondContact O-CG2 3.35Å; F494-V498 PolarHBondContact O-N 3.27Å; F494-F739 HydrophobicContact CD2-CD1 4.35Å; F494-F739 HydrophobicContact CD2-CE1 4.24Å; F494-F739 HydrophobicContact CE2-CD1 4.23Å; F494-F739 HydrophobicContact CE2-CE1 4.1Å; F494-E743 HydrophobicContact CD2-CB 3.73Å; F494-E743 HydrophobicContact CD2-CG 3.59Å; F494-E743 HydrophobicContact CE2-CB 3.65Å; F494-E743 HydrophobicContact CE2-CG 4.03Å; F494-E743 HydrophobicContact CG-CG 4.36Å; F494-V746 HydrophobicContact CE1-CB 4.3Å; F494-V746 HydrophobicContact CE1-CG1 3.53Å; F494-V746 HydrophobicContact CZ-CB 3.91Å; F494-V746 HydrophobicContact CZ-CG1 3.54Å; F494-M747 HydrophobicContact CE2-CG 3.99Å; F494-M747 HydrophobicContact CZ-CG 3.99Å |
| 495 | K | 77 | Confident | 74.5 | Confident | 94 Ų | 94 | 50 Ų | 50 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | -179.8 | 178.6 | -176 | 174.6 | -172.8 | 0 | 111.3 | D493 V498 Q499 | D493-K495 VanDerWaalsContact C-N 3.33Å; D493-K495 WeakPolarHBondContact OD1-CA 3.4Å; D493-K495 WeakPolarHBondContact OD1-CB 3.49Å; D493-K495 PolarHBondContact OD1-N 2.67Å; K495-V498 PolarHBondContact O-N 3.19Å; K495-Q499 WeakPolarHBondContact O-CG 3.37Å; K495-Q499 PolarHBondContact O-N 2.86Å |
| 496 | A | 72 | Confident | 75.4 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R453 D493 V498 Q499 Y500 | R453-A496 HydrophobicContact CG-CB 4.32Å; D493-A496 HydrophobicContact CB-CB 4.04Å; D493-A496 PolarHBondContact OD1-N 3.16Å; A496-V498 PolarHBondContact O-N 2.88Å; A496-Q499 PolarHBondContact O-N 2.63Å; A496-Y500 PolarHBondContact O-N 2.85Å |
| 497 | K | 78.8 | Confident | 75.8 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 175.5 | -62.8 | 177.8 | -173.1 | -177.6 | 0 | 112.1 | E451 D493 F494 Q499 Y500 F501 Y738 F739 E743 | E451-K497 WeakPolarHBondContact OE1-CG 3.49Å; D493-K497 PolarHBondContact O-N 3.12Å; F494-K497 PolarHBondContact O-N 2.74Å; K497-Q499 PolarHBondContact O-N 2.7Å; K497-Y500 PolarHBondContact O-N 2.74Å; K497-F501 WeakPolarHBondContact O-CB 3.4Å; K497-F501 PolarHBondContact O-N 3.32Å; K497-Y738 WeakPolarHBondContact CE-O 3.3Å; K497-Y738 PolarHBondContact NZ-O 3.25Å; K497-F739 HydrophobicContact CB-CD1 4.07Å; K497-F739 HydrophobicContact CB-CE1 3.33Å; K497-F739 HydrophobicContact CB-CZ 3.74Å; K497-F739 HydrophobicContact CD-CD1 3.93Å; K497-F739 HydrophobicContact CD-CE1 4.06Å; K497-F739 HydrophobicContact CG-CE1 4.35Å; K497-E743 IonicContact NZ-OE1 3.77Å; K497-E743 PolarHBondContact NZ-OE1 3.06Å; K497-E743 IonicContact NZ-OE2 2.8Å; K497-E743 PolarHBondContact NZ-OE2 2.98Å |
| 498 | V | 82.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | I385 F494 K495 A496 F501 R502 F739 M747 | I385-V498 HydrophobicContact CD1-CG1 4.23Å; I385-V498 HydrophobicContact CD1-CG2 4Å; I385-V498 HydrophobicContact CG1-CG1 4.48Å; F494-V498 HydrophobicContact CD1-CG2 4.4Å; F494-V498 HydrophobicContact CD2-CG2 3.97Å; F494-V498 HydrophobicContact CE1-CG2 4.04Å; F494-V498 HydrophobicContact CE2-CG2 3.57Å; F494-V498 HydrophobicContact CG-CG2 4.38Å; F494-V498 HydrophobicContact CZ-CG2 3.63Å; F494-V498 VanDerWaalsContact O-CG2 3.32Å; F494-V498 WeakPolarHBondContact O-CG2 3.35Å; F494-V498 PolarHBondContact O-N 3.27Å; K495-V498 PolarHBondContact O-N 3.19Å; A496-V498 PolarHBondContact O-N 2.88Å; V498-F501 PolarHBondContact O-N 2.89Å; V498-R502 HydrophobicContact CG1-CG 4.27Å; V498-R502 WeakPolarHBondContact O-CB 3.42Å; V498-R502 WeakPolarHBondContact O-CG 3.32Å; V498-R502 PolarHBondContact O-N 3.08Å; V498-F739 HydrophobicContact CG2-CE1 4.15Å; V498-F739 HydrophobicContact CG2-CZ 4.5Å; V498-M747 HydrophobicContact CG2-CG 4.27Å |
| 499 | Q | 76.3 | Confident | 77.2 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.3 | -73.9 | 177 | -40.2 | 0 | 0 | 111.9 | K495 A496 K497 R502 F503 | K495-Q499 WeakPolarHBondContact O-CG 3.37Å; K495-Q499 PolarHBondContact O-N 2.86Å; A496-Q499 PolarHBondContact O-N 2.63Å; K497-Q499 PolarHBondContact O-N 2.7Å; Q499-R502 PolarHBondContact O-N 2.87Å; Q499-F503 PolarHBondContact O-N 3.01Å |
| 500 | Y | 74.9 | Confident | 77.9 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 11% | 0.114 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.4 | -174.1 | -97.7 | 0 | 0 | 0 | 112.6 | M452 A496 K497 F503 W504 Y738 | M452-Y500 HydrophobicContact CB-CE2 3.98Å; M452-Y500 HydrophobicContact CG-CE2 4.22Å; M452-Y500 WeakPolarHBondContact O-CD2 3.49Å; M452-Y500 HydrophobicContact SD-CE2 4.12Å; A496-Y500 PolarHBondContact O-N 2.85Å; K497-Y500 PolarHBondContact O-N 2.74Å; Y500-F503 WeakPolarHBondContact O-CB 3.24Å; Y500-F503 PolarHBondContact O-N 2.9Å; Y500-W504 AromaticContact CD1-CD1 3.89Å; Y500-W504 AromaticContact CE1-CD1 3.53Å; Y500-W504 AromaticContact CE1-NE1 3.3Å; Y500-W504 VanDerWaalsContact CE1-NE1 3.3Å; Y500-W504 AromaticContact CE2-NE1 3.82Å; Y500-W504 AromaticContact CZ-CD1 3.83Å; Y500-W504 AromaticContact CZ-NE1 3.15Å; Y500-W504 PolarHBondContact O-N 3.22Å; Y500-W504 PolarHBondContact OH-NE1 2.9Å; Y500-W504 VanDerWaalsContact OH-NE1 3.14Å; Y500-Y738 HydrophobicContact CE1-CE2 4.11Å |
| 501 | F | 82.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 173.4 | 175.3 | -95.4 | 0 | 0 | 0 | 112.1 | K497 V498 F503 W504 C505 L615 L731 L736 F739 M747 | K497-F501 WeakPolarHBondContact O-CB 3.4Å; K497-F501 PolarHBondContact O-N 3.32Å; V498-F501 PolarHBondContact O-N 2.89Å; F501-F503 VanDerWaalsContact C-N 3.32Å; F501-F503 PolarHBondContact O-N 2.88Å; F501-W504 PolarHBondContact O-N 3.03Å; F501-C505 WeakPolarHBondContact CE1-SG 3.21Å; F501-C505 WeakPolarHBondContact CZ-SG 3.38Å; F501-C505 PolarHBondContact O-N 3.26Å; F501-C505 PolarHBondContact O-SG 2.93Å; F501-C505 VanDerWaalsContact O-SG 3.37Å; F501-L615 HydrophobicContact CZ-CB 4.06Å; F501-L731 HydrophobicContact CE2-CD1 4.03Å; F501-L731 HydrophobicContact CE2-CD2 3.95Å; F501-L731 HydrophobicContact CZ-CD1 4.21Å; F501-L731 HydrophobicContact CZ-CD2 3.74Å; F501-L736 HydrophobicContact CD2-CD2 3.87Å; F501-L736 HydrophobicContact CE2-CD2 3.5Å; F501-L736 HydrophobicContact CE2-CG 4.42Å; F501-L736 HydrophobicContact CZ-CD2 4.24Å; F501-F739 HydrophobicContact CB-CE2 3.99Å; F501-F739 HydrophobicContact CB-CZ 3.9Å; F501-F739 HydrophobicContact CD2-CE2 4.15Å; F501-F739 HydrophobicContact CG-CE2 4.2Å; F501-F739 HydrophobicContact CG-CZ 4.41Å; F501-M747 HydrophobicContact CB-CE 4.31Å; F501-M747 HydrophobicContact CD1-CE 3.33Å; F501-M747 HydrophobicContact CD2-CE 4.13Å; F501-M747 HydrophobicContact CE1-CE 3.57Å; F501-M747 HydrophobicContact CE2-CE 4.33Å; F501-M747 HydrophobicContact CG-CE 3.64Å; F501-M747 HydrophobicContact CZ-CE 4.08Å |
| 502 | R | 81.8 | Confident | 79.9 | Confident | 20 Ų | 20 | 50 Ų | 50 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 178.6 | -71 | -78.9 | 154.1 | -127.1 | -9.5 | 112 | V498 Q499 C505 Q506 L615 F616 | V498-R502 HydrophobicContact CG1-CG 4.27Å; V498-R502 WeakPolarHBondContact O-CB 3.42Å; V498-R502 WeakPolarHBondContact O-CG 3.32Å; V498-R502 PolarHBondContact O-N 3.08Å; Q499-R502 PolarHBondContact O-N 2.87Å; R502-C505 PolarHBondContact O-N 2.95Å; R502-Q506 WeakPolarHBondContact O-CG 3.16Å; R502-Q506 PolarHBondContact O-N 2.88Å; R502-L615 VanDerWaalsContact CZ-O 3.25Å; R502-L615 PolarHBondContact NH1-O 3.41Å; R502-L615 PolarHBondContact NH2-O 3.31Å; R502-F616 PolarHBondContact NH1-O 3.13Å |
| 503 | F | 77.1 | Confident | 81 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -50.1 | 172.2 | 170.7 | -103 | 0 | 0 | 0 | 111.4 | L403 L441 Q499 Y500 F501 C505 Q506 Q507 | L403-F503 HydrophobicContact CD2-CE2 3.63Å; L403-F503 HydrophobicContact CD2-CZ 4.04Å; L403-F503 HydrophobicContact CG-CE2 4.45Å; L441-F503 HydrophobicContact CD1-CE1 4.43Å; L441-F503 HydrophobicContact CD1-CZ 4.43Å; Q499-F503 PolarHBondContact O-N 3.01Å; Y500-F503 WeakPolarHBondContact O-CB 3.24Å; Y500-F503 PolarHBondContact O-N 2.9Å; F501-F503 VanDerWaalsContact C-N 3.32Å; F501-F503 PolarHBondContact O-N 2.88Å; F503-C505 PolarHBondContact O-N 2.93Å; F503-Q506 WeakPolarHBondContact O-CB 3.23Å; F503-Q506 PolarHBondContact O-N 3.35Å; F503-Q507 HydrophobicContact CD1-CG 4.34Å; F503-Q507 HydrophobicContact CD2-CG 4.22Å; F503-Q507 HydrophobicContact CE1-CG 3.88Å; F503-Q507 HydrophobicContact CE2-CG 3.74Å; F503-Q507 HydrophobicContact CG-CG 4.5Å; F503-Q507 HydrophobicContact CZ-CG 3.56Å; F503-Q507 WeakPolarHBondContact O-CG 3.26Å; F503-Q507 PolarHBondContact O-N 2.92Å |
| 504 | W | 78.9 | Confident | 81.9 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 177.4 | -77.7 | 109.9 | 0 | 0 | 0 | 113.5 | Y500 F501 Q506 Q507 L508 Y735 | Y500-W504 AromaticContact CD1-CD1 3.89Å; Y500-W504 AromaticContact CE1-CD1 3.53Å; Y500-W504 AromaticContact CE1-NE1 3.3Å; Y500-W504 VanDerWaalsContact CE1-NE1 3.3Å; Y500-W504 AromaticContact CE2-NE1 3.82Å; Y500-W504 AromaticContact CZ-CD1 3.83Å; Y500-W504 AromaticContact CZ-NE1 3.15Å; Y500-W504 PolarHBondContact O-N 3.22Å; Y500-W504 PolarHBondContact OH-NE1 2.9Å; Y500-W504 VanDerWaalsContact OH-NE1 3.14Å; F501-W504 PolarHBondContact O-N 3.03Å; W504-Q506 VanDerWaalsContact C-N 3.3Å; W504-Q506 PolarHBondContact O-N 3.39Å; W504-Q507 HydrophobicContact CE3-CB 4.46Å; W504-Q507 PolarHBondContact O-N 2.97Å; W504-L508 WeakPolarHBondContact O-CB 3.3Å; W504-L508 VanDerWaalsContact O-CG 3.25Å; W504-L508 WeakPolarHBondContact O-CG 3.36Å; W504-L508 PolarHBondContact O-N 2.92Å; W504-Y735 HydrophobicContact CB-CD1 3.76Å; W504-Y735 HydrophobicContact CB-CE1 3.95Å; W504-Y735 HydrophobicContact CB-CG 4.42Å; W504-Y735 AromaticContact CD1-CD1 3.99Å; W504-Y735 HydrophobicContact CD2-CD1 4.03Å; W504-Y735 AromaticContact CD2-CE1 3.5Å; W504-Y735 HydrophobicContact CD2-CE1 3.5Å; W504-Y735 AromaticContact CE3-CE1 3.67Å; W504-Y735 HydrophobicContact CE3-CE1 3.67Å; W504-Y735 AromaticContact CG-CD1 3.64Å; W504-Y735 HydrophobicContact CG-CD1 3.64Å; W504-Y735 AromaticContact CG-CE1 3.63Å; W504-Y735 HydrophobicContact CG-CE1 3.63Å; W504-Y735 HydrophobicContact CZ3-CE1 4.37Å |
| 505 | C | 84.8 | Confident | 82.7 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 171.6 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | F501 R502 F503 L508 S509 F616 | F501-C505 WeakPolarHBondContact CE1-SG 3.21Å; F501-C505 WeakPolarHBondContact CZ-SG 3.38Å; F501-C505 PolarHBondContact O-N 3.26Å; F501-C505 PolarHBondContact O-SG 2.93Å; F501-C505 VanDerWaalsContact O-SG 3.37Å; R502-C505 PolarHBondContact O-N 2.95Å; F503-C505 PolarHBondContact O-N 2.93Å; C505-L508 PolarHBondContact O-N 2.91Å; C505-S509 PolarHBondContact O-N 2.81Å; C505-S509 VanDerWaalsContact O-N 3.14Å; C505-F616 HydrophobicContact CB-CD2 4.21Å; C505-F616 HydrophobicContact CB-CE2 4.2Å; C505-F616 HydrophobicContact CB-CG 4.47Å; C505-F616 HydrophobicContact CB-CZ 4.46Å; C505-F616 WeakPolarHBondContact O-CZ 3.47Å |
| 506 | Q | 80.8 | Confident | 83.5 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -43.9 | 175.6 | -71.8 | 173.2 | -7.8 | 0 | 0 | 111.8 | R502 F503 W504 L508 S509 | R502-Q506 WeakPolarHBondContact O-CG 3.16Å; R502-Q506 PolarHBondContact O-N 2.88Å; F503-Q506 WeakPolarHBondContact O-CB 3.23Å; F503-Q506 PolarHBondContact O-N 3.35Å; W504-Q506 VanDerWaalsContact C-N 3.3Å; W504-Q506 PolarHBondContact O-N 3.39Å; Q506-L508 VanDerWaalsContact C-N 3.26Å; Q506-L508 PolarHBondContact O-N 2.93Å; Q506-S509 WeakPolarHBondContact O-CB 3.47Å; Q506-S509 PolarHBondContact O-N 3.48Å; Q506-S509 VanDerWaalsContact O-N 3.11Å |
| 507 | Q | 79.9 | Confident | 84.6 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -27.9 | 176.7 | -64.7 | -59.5 | 99.7 | 0 | 0 | 113.3 | F503 W504 | F503-Q507 HydrophobicContact CD1-CG 4.34Å; F503-Q507 HydrophobicContact CD2-CG 4.22Å; F503-Q507 HydrophobicContact CE1-CG 3.88Å; F503-Q507 HydrophobicContact CE2-CG 3.74Å; F503-Q507 HydrophobicContact CG-CG 4.5Å; F503-Q507 HydrophobicContact CZ-CG 3.56Å; F503-Q507 WeakPolarHBondContact O-CG 3.26Å; F503-Q507 PolarHBondContact O-N 2.92Å; W504-Q507 HydrophobicContact CE3-CB 4.46Å; W504-Q507 PolarHBondContact O-N 2.97Å |
| 508 | L | 85.7 | Confident | 85.4 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.4 | 175.6 | -65.7 | 171.1 | 0 | 0 | 0 | 113.6 | W504 C505 Q506 R540 F616 Y735 | W504-L508 WeakPolarHBondContact O-CB 3.3Å; W504-L508 VanDerWaalsContact O-CG 3.25Å; W504-L508 WeakPolarHBondContact O-CG 3.36Å; W504-L508 PolarHBondContact O-N 2.92Å; C505-L508 PolarHBondContact O-N 2.91Å; Q506-L508 VanDerWaalsContact C-N 3.26Å; Q506-L508 PolarHBondContact O-N 2.93Å; L508-R540 WeakPolarHBondContact O-CD 3.46Å; L508-F616 HydrophobicContact CB-CE2 3.89Å; L508-F616 HydrophobicContact CB-CZ 4.18Å; L508-Y735 HydrophobicContact CD1-CD2 4.15Å; L508-Y735 HydrophobicContact CD1-CE2 3.54Å |
| 509 | S | 87.3 | Confident | 85.9 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 46% | 0.462 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 130.1 | -177.1 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | C505 Q506 | C505-S509 PolarHBondContact O-N 2.81Å; C505-S509 VanDerWaalsContact O-N 3.14Å; Q506-S509 WeakPolarHBondContact O-CB 3.47Å; Q506-S509 PolarHBondContact O-N 3.48Å; Q506-S509 VanDerWaalsContact O-N 3.11Å |
| 510 | M | 87.7 | Confident | 86.5 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142 | -179.9 | -70.4 | -67.7 | -76.8 | 0 | 0 | 110.5 | Q537 R540 R541 | M510-Q537 WeakPolarHBondContact CG-O 3.47Å; M510-R540 HydrophobicContact CB-CB 4.44Å; M510-R540 HydrophobicContact CG-CB 4.13Å; M510-R540 PolarHBondContact N-O 3.25Å; M510-R540 VanDerWaalsContact N-O 3.13Å; M510-R541 HydrophobicContact CB-CB 4.49Å; M510-R541 HydrophobicContact CB-CG 3.48Å; M510-R541 VanDerWaalsContact CB-CG 3.48Å; M510-R541 WeakPolarHBondContact O-CA 3.45Å |
| 511 | P | 82.8 | Confident | 87.2 | Confident | 92 Ų | 92 | 61 Ų | 61 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 166.1 | -179 | 29.2 | -36.1 | 0 | 0 | 0 | 112.2 | R541 | P511-R541 WeakPolarHBondContact O-CD 3.27Å; P511-R541 WeakPolarHBondContact O-CG 3.38Å; P511-R541 PolarHBondContact O-NH1 3.32Å |
| 512 | Q | 89.4 | Confident | 87.5 | Confident | 152 Ų | 152 | 64.2 Ų | 64.2 | 71% | 0.71 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 68.2 | -162.7 | -174.8 | -47.2 | 167.8 | -17.3 | 0 | 0 | 112.3 | R541 R542 | Q512-R541 VanDerWaalsContact OE1-NH1 3.1Å; Q512-R542 PolarHBondContact O-N 3.01Å |
| 513 | H | 89.1 | Confident | 88.1 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 155.4 | -177.4 | 57.3 | 40.5 | 0 | 0 | 0 | 111.3 | R542 W544 | H513-R542 CarbonylContact C-O 3.54Å; H513-R542 WeakPolarHBondContact CA-O 3.21Å; H513-R542 HydrophobicContact CB-CB 4.29Å; H513-R542 VanDerWaalsContact CB-O 3.23Å; H513-R542 WeakPolarHBondContact CB-O 3.38Å; H513-W544 HydrophobicContact CB-CD2 4.4Å; H513-W544 HydrophobicContact CB-CG 4.27Å; H513-W544 AromaticContact CD2-CD2 3.71Å; H513-W544 AromaticContact CD2-CE2 3.43Å; H513-W544 VanDerWaalsContact CD2-CE2 3.43Å; H513-W544 AromaticContact CD2-CE3 3.93Å; H513-W544 AromaticContact CD2-CH2 3.65Å; H513-W544 AromaticContact CD2-CZ2 3.42Å; H513-W544 VanDerWaalsContact CD2-CZ2 3.42Å; H513-W544 WeakPolarHBondContact CD2-CZ2 3.41Å; H513-W544 AromaticContact CD2-CZ3 3.9Å; H513-W544 AromaticContact NE2-CH2 3.64Å; H513-W544 AromaticContact NE2-CZ2 3.93Å; H513-W544 AromaticContact NE2-CZ3 3.69Å |
| 514 | I | 93.8 | Very high | 88.9 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 145.8 | 160.8 | 58.5 | 170.5 | 0 | 0 | 0 | 110.2 | I516 F534 D538 L539 R541 R542 L543 W544 | I514-I516 HydrophobicContact CD1-CD1 4.27Å; I514-F534 HydrophobicContact CB-CE1 4.48Å; I514-F534 HydrophobicContact CB-CZ 4.33Å; I514-F534 HydrophobicContact CD1-CD2 4.12Å; I514-F534 HydrophobicContact CD1-CE2 4.19Å; I514-F534 HydrophobicContact CG2-CE1 4.4Å; I514-D538 HydrophobicContact CG2-CB 4.07Å; I514-L539 HydrophobicContact CD1-CD2 3.72Å; I514-R541 HydrophobicContact CG2-CB 4.39Å; I514-R542 PolarHBondContact N-O 3.32Å; I514-L543 HydrophobicContact CD1-CD2 3.66Å; I514-L543 HydrophobicContact CG1-CD2 3.7Å; I514-W544 PolarHBondContact O-N 3.31Å |
| 515 | K | 93.4 | Very high | 89.5 | Confident | 107 Ų | 107 | 62.5 Ų | 62.5 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.7 | 175.6 | -66.4 | -177.4 | 178.7 | -175 | 0 | 109.3 | W544 I546 | K515-W544 WeakPolarHBondContact CA-O 3.43Å; K515-W544 HydrophobicContact CG-CB 4.35Å; K515-W544 HydrophobicContact CG-CE3 4.35Å; K515-I546 HydrophobicContact CB-CD1 4.35Å; K515-I546 HydrophobicContact CD-CD1 4.12Å; K515-I546 HydrophobicContact CG-CD1 4.36Å |
| 516 | I | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 113.9 | 174.7 | -66.8 | 167.2 | 0 | 0 | 0 | 106.6 | I514 V518 F534 L543 W544 I545 I546 W562 M613 | I514-I516 HydrophobicContact CD1-CD1 4.27Å; I516-V518 HydrophobicContact CG2-CG1 3.67Å; I516-F534 HydrophobicContact CG1-CE2 4.01Å; I516-L543 HydrophobicContact CD1-CD2 4.39Å; I516-W544 PolarHBondContact N-O 3.14Å; I516-I545 HydrophobicContact CB-CD1 3.76Å; I516-I545 HydrophobicContact CD1-CD1 3.92Å; I516-I545 HydrophobicContact CG1-CD1 4.35Å; I516-I545 HydrophobicContact CG2-CD1 4.15Å; I516-I545 WeakPolarHBondContact O-CA 3.07Å; I516-I546 PolarHBondContact O-N 2.92Å; I516-W562 HydrophobicContact CD1-CH2 4.37Å; I516-W562 HydrophobicContact CD1-CZ2 4.49Å; I516-W562 HydrophobicContact CG2-CZ2 4.29Å; I516-M613 HydrophobicContact CD1-CE 4.25Å |
| 517 | T | 94.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 109.4 | -172 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | Q530 I546 P548 | T517-Q530 PolarHBondContact O-NE2 2.74Å; T517-I546 CarbonylContact C-O 3.49Å; T517-I546 WeakPolarHBondContact CA-O 3.43Å; T517-I546 HydrophobicContact CG2-CB 4.32Å; T517-I546 HydrophobicContact CG2-CG2 4.25Å; T517-P548 HydrophobicContact CG2-CG 3.73Å |
| 518 | V | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | trans | -136.2 | 137.8 | -164.9 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | I516 L523 D526 I545 I546 F547 P548 | I516-V518 HydrophobicContact CG2-CG1 3.67Å; V518-L523 HydrophobicContact CB-CD1 4.2Å; V518-L523 HydrophobicContact CG2-CD1 3.96Å; V518-D526 HydrophobicContact CB-CB 3.98Å; V518-D526 HydrophobicContact CG1-CB 3.72Å; V518-I545 HydrophobicContact CG2-CG2 4.06Å; V518-I546 PolarHBondContact N-O 2.99Å; V518-F547 HydrophobicContact CG2-CD1 4.05Å; V518-F547 HydrophobicContact CG2-CE1 3.79Å; V518-F547 HydrophobicContact CG2-CZ 4.36Å; V518-F547 WeakPolarHBondContact O-CA 3.44Å; V518-F547 VanDerWaalsContact O-CD1 3.22Å; V518-F547 WeakPolarHBondContact O-CD1 3.38Å; V518-P548 WeakPolarHBondContact O-CD 3.34Å | ||
| 519 | S | 93.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | trans | -90.2 | 140.6 | 174.8 | 166.6 | 0 | 0 | 0 | 0 | 110.4 | K521 T522 L523 D526 | S519-K521 PolarHBondContact O-N 3.4Å; S519-K521 PolarHBondContact OG-N 2.99Å; S519-T522 WeakPolarHBondContact CB-OG1 3.31Å; S519-T522 CarbonylContact O-C 3.54Å; S519-T522 PolarHBondContact O-N 3.32Å; S519-T522 VanDerWaalsContact O-N 3.11Å; S519-L523 VanDerWaalsContact O-CA 3.28Å; S519-L523 WeakPolarHBondContact O-CA 3.05Å; S519-L523 PolarHBondContact O-N 3.49Å; S519-D526 WeakPolarHBondContact CB-OD2 3.44Å; S519-D526 PolarHBondContact N-OD2 3.44Å | ||
| 520 | R | 89.4 | Confident | 92.7 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.6 | 175.5 | -65.6 | -174.9 | -178.6 | -93.9 | -4.1 | 113.7 | F547 E550 E561 | R520-F547 HydrophobicContact CG-CD1 3.66Å; R520-F547 HydrophobicContact CG-CE1 3.84Å; R520-F547 HydrophobicContact CG-CG 4.46Å; R520-E550 VanDerWaalsContact CD-OE1 3.25Å; R520-E550 WeakPolarHBondContact CD-OE1 3.33Å; R520-E550 IonicContact CZ-OE1 3.98Å; R520-E550 IonicContact CZ-OE2 2.63Å; R520-E550 VanDerWaalsContact CZ-OE2 3.24Å; R520-E550 IonicContact NE-OE1 2.97Å; R520-E550 PolarHBondContact NE-OE1 3.16Å; R520-E550 IonicContact NE-OE2 3.33Å; R520-E550 PolarHBondContact NE-OE2 3.17Å; R520-E550 IonicContact NH2-OE2 2.74Å; R520-E550 PolarHBondContact NH2-OE2 3.24Å; R520-E561 IonicContact CZ-OE1 2.73Å; R520-E561 IonicContact CZ-OE2 2.7Å; R520-E561 VanDerWaalsContact NH1-CD 3.28Å; R520-E561 IonicContact NH1-OE1 3.87Å; R520-E561 PolarHBondContact NH1-OE1 3.01Å; R520-E561 IonicContact NH1-OE2 2.99Å; R520-E561 IonicContact NH2-OE1 3.39Å; R520-E561 PolarHBondContact NH2-OE1 3.43Å; R520-E561 IonicContact NH2-OE2 3.25Å; R520-E561 PolarHBondContact NH2-OE2 3.42Å |
| 521 | K | 87.9 | Confident | 93.2 | Very high | 193 Ų | 193 | 56.2 Ų | 56.2 | 84% | 0.839 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -25.9 | 178.4 | -64.1 | -175.8 | 178.7 | -179.2 | 0 | 114.2 | S519 | S519-K521 PolarHBondContact O-N 3.4Å; S519-K521 PolarHBondContact OG-N 2.99Å |
| 522 | T | 90.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 20.8 | -174.7 | 38.7 | 0 | 0 | 0 | 0 | 111.6 | S519 F524 E525 D526 | S519-T522 WeakPolarHBondContact CB-OG1 3.31Å; S519-T522 CarbonylContact O-C 3.54Å; S519-T522 PolarHBondContact O-N 3.32Å; S519-T522 VanDerWaalsContact O-N 3.11Å; T522-F524 VanDerWaalsContact C-N 3.3Å; T522-F524 PolarHBondContact O-N 3.31Å; T522-F524 VanDerWaalsContact O-N 3.08Å; T522-E525 PolarHBondContact O-N 3.21Å; T522-D526 WeakPolarHBondContact CB-OD2 3.12Å; T522-D526 PolarHBondContact O-N 2.88Å; T522-D526 VanDerWaalsContact OG1-CG 3.28Å; T522-D526 PolarHBondContact OG1-OD1 3.45Å; T522-D526 PolarHBondContact OG1-OD2 3.37Å |
| 523 | L | 93.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -45.8 | -47.2 | -168.9 | 174.4 | 62 | 0 | 0 | 0 | 114 | V518 S519 S527 F547 L565 E569 | V518-L523 HydrophobicContact CB-CD1 4.2Å; V518-L523 HydrophobicContact CG2-CD1 3.96Å; S519-L523 VanDerWaalsContact O-CA 3.28Å; S519-L523 WeakPolarHBondContact O-CA 3.05Å; S519-L523 PolarHBondContact O-N 3.49Å; L523-S527 WeakPolarHBondContact O-CB 3.37Å; L523-S527 PolarHBondContact O-N 3.5Å; L523-S527 VanDerWaalsContact O-N 3.09Å; L523-S527 PolarHBondContact O-OG 3.3Å; L523-F547 HydrophobicContact CD1-CE1 4.27Å; L523-L565 HydrophobicContact CD2-CB 3.43Å; L523-L565 VanDerWaalsContact CD2-CB 3.43Å; L523-L565 HydrophobicContact CD2-CD1 4.42Å; L523-E569 HydrophobicContact CD2-CG 4.02Å; L523-E569 HydrophobicContact CG-CG 4.4Å |
| 524 | F | 93.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -51.2 | 179.4 | -177.8 | -95.9 | 0 | 0 | 0 | 112.2 | T522 S527 F528 L566 E569 V570 Y575 L577 Y603 F606 | T522-F524 VanDerWaalsContact C-N 3.3Å; T522-F524 PolarHBondContact O-N 3.31Å; T522-F524 VanDerWaalsContact O-N 3.08Å; F524-S527 PolarHBondContact O-N 2.79Å; F524-F528 VanDerWaalsContact O-CB 3.23Å; F524-F528 WeakPolarHBondContact O-CB 3.44Å; F524-F528 PolarHBondContact O-N 3.47Å; F524-L566 HydrophobicContact CD2-CD1 4.08Å; F524-E569 HydrophobicContact CB-CB 3.95Å; F524-E569 HydrophobicContact CB-CG 4.41Å; F524-E569 HydrophobicContact CD2-CB 3.98Å; F524-E569 HydrophobicContact CG-CB 4.4Å; F524-V570 HydrophobicContact CD2-CG1 4.31Å; F524-V570 HydrophobicContact CE2-CB 4.4Å; F524-V570 HydrophobicContact CE2-CG1 3.93Å; F524-Y575 HydrophobicContact CB-CE2 4.31Å; F524-Y575 HydrophobicContact CD1-CD2 4.31Å; F524-Y575 AromaticContact CD1-CE1 3.98Å; F524-Y575 HydrophobicContact CD1-CE1 3.98Å; F524-Y575 AromaticContact CD1-CE2 3.52Å; F524-Y575 HydrophobicContact CD1-CE2 3.52Å; F524-Y575 AromaticContact CD1-CZ 3.33Å; F524-Y575 VanDerWaalsContact CD1-OH 3.32Å; F524-Y575 WeakPolarHBondContact CD1-OH 3.44Å; F524-Y575 HydrophobicContact CD2-CD2 4.47Å; F524-Y575 AromaticContact CD2-CE2 3.85Å; F524-Y575 HydrophobicContact CD2-CE2 3.85Å; F524-Y575 HydrophobicContact CE1-CD1 4.23Å; F524-Y575 AromaticContact CE1-CD2 3.92Å; F524-Y575 HydrophobicContact CE1-CD2 3.92Å; F524-Y575 AromaticContact CE1-CE1 3.93Å; F524-Y575 HydrophobicContact CE1-CE1 3.93Å; F524-Y575 AromaticContact CE1-CE2 3.6Å; F524-Y575 HydrophobicContact CE1-CE2 3.6Å; F524-Y575 HydrophobicContact CE1-CG 4.25Å; F524-Y575 AromaticContact CE1-CZ 3.62Å; F524-Y575 HydrophobicContact CE2-CD2 4.12Å; F524-Y575 AromaticContact CE2-CE2 3.94Å; F524-Y575 HydrophobicContact CE2-CE2 3.94Å; F524-Y575 AromaticContact CG-CE2 3.63Å; F524-Y575 HydrophobicContact CG-CE2 3.63Å; F524-Y575 AromaticContact CG-CZ 3.79Å; F524-Y575 AromaticContact CZ-CD2 3.82Å; F524-Y575 HydrophobicContact CZ-CD2 3.82Å; F524-Y575 AromaticContact CZ-CE2 3.82Å; F524-Y575 HydrophobicContact CZ-CE2 3.82Å; F524-Y575 HydrophobicContact CZ-CG 4.34Å; F524-L577 HydrophobicContact CZ-CD1 4.49Å; F524-Y603 HydrophobicContact CD1-CE1 4.48Å; F524-Y603 AromaticContact CE1-CD1 3.65Å; F524-Y603 HydrophobicContact CE1-CD1 3.65Å; F524-Y603 AromaticContact CE1-CE1 3.43Å; F524-Y603 HydrophobicContact CE1-CE1 3.43Å; F524-Y603 VanDerWaalsContact CE1-CE1 3.43Å; F524-Y603 AromaticContact CZ-CD1 3.64Å; F524-Y603 HydrophobicContact CZ-CD1 3.64Å; F524-Y603 AromaticContact CZ-CE1 3.95Å; F524-Y603 HydrophobicContact CZ-CE1 3.95Å; F524-Y603 HydrophobicContact CZ-CG 4.37Å; F524-F606 HydrophobicContact CD2-CE1 4.24Å; F524-F606 HydrophobicContact CE2-CD1 4.46Å; F524-F606 AromaticContact CE2-CE1 3.85Å; F524-F606 HydrophobicContact CE2-CE1 3.85Å; F524-F606 HydrophobicContact CZ-CE1 4.3Å |
| 525 | E | 92.7 | Very high | 94.7 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.1 | -43 | -175.9 | -173.3 | 58.1 | -149.8 | 0 | 0 | 111.6 | T522 S527 F528 Q529 | T522-E525 PolarHBondContact O-N 3.21Å; E525-S527 VanDerWaalsContact C-N 3.28Å; E525-S527 PolarHBondContact O-N 3.12Å; E525-F528 PolarHBondContact O-N 2.98Å; E525-Q529 WeakPolarHBondContact O-CG 3.33Å; E525-Q529 PolarHBondContact O-N 3.1Å; E525-Q529 WeakPolarHBondContact OE1-CG 3.33Å; E525-Q529 PolarHBondContact OE1-NE2 3.07Å |
| 526 | D | 96.3 | Very high | 94.8 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.6 | -60.4 | -22.9 | 0 | 0 | 0 | 110.8 | V518 S519 T522 Q530 | V518-D526 HydrophobicContact CB-CB 3.98Å; V518-D526 HydrophobicContact CG1-CB 3.72Å; S519-D526 WeakPolarHBondContact CB-OD2 3.44Å; S519-D526 PolarHBondContact N-OD2 3.44Å; T522-D526 WeakPolarHBondContact CB-OD2 3.12Å; T522-D526 PolarHBondContact O-N 2.88Å; T522-D526 VanDerWaalsContact OG1-CG 3.28Å; T522-D526 PolarHBondContact OG1-OD1 3.45Å; T522-D526 PolarHBondContact OG1-OD2 3.37Å; D526-Q530 WeakPolarHBondContact O-CB 3.4Å; D526-Q530 PolarHBondContact O-N 2.97Å; D526-Q530 PolarHBondContact O-NE2 3.07Å |
| 527 | S | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.1 | -41.6 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | L523 F524 E525 Q530 I531 W562 | L523-S527 WeakPolarHBondContact O-CB 3.37Å; L523-S527 PolarHBondContact O-N 3.5Å; L523-S527 VanDerWaalsContact O-N 3.09Å; L523-S527 PolarHBondContact O-OG 3.3Å; F524-S527 PolarHBondContact O-N 2.79Å; E525-S527 VanDerWaalsContact C-N 3.28Å; E525-S527 PolarHBondContact O-N 3.12Å; S527-Q530 PolarHBondContact O-N 3.4Å; S527-I531 WeakPolarHBondContact O-CB 3.42Å; S527-I531 WeakPolarHBondContact O-CG1 3.33Å; S527-I531 PolarHBondContact O-N 2.91Å; S527-W562 PolarHBondContact OG-NE1 2.98Å |
| 528 | F | 97.2 | Very high | 94.7 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -54.9 | 177.9 | 170.9 | -111.1 | 0 | 0 | 0 | 111.2 | F524 E525 Q530 M532 K602 Y603 F606 | F524-F528 VanDerWaalsContact O-CB 3.23Å; F524-F528 WeakPolarHBondContact O-CB 3.44Å; F524-F528 PolarHBondContact O-N 3.47Å; E525-F528 PolarHBondContact O-N 2.98Å; F528-Q530 VanDerWaalsContact C-N 3.34Å; F528-Q530 PolarHBondContact O-N 2.84Å; F528-M532 HydrophobicContact CD2-CG 3.92Å; F528-M532 HydrophobicContact CE2-CG 3.83Å; F528-M532 VanDerWaalsContact O-CB 3.27Å; F528-M532 WeakPolarHBondContact O-CB 3.47Å; F528-M532 VanDerWaalsContact O-CG 3.24Å; F528-M532 WeakPolarHBondContact O-CG 3.28Å; F528-M532 PolarHBondContact O-N 3.06Å; F528-K602 HydrophobicContact CE2-CB 4.24Å; F528-K602 HydrophobicContact CZ-CB 4.1Å; F528-Y603 AromaticContact CD1-CE1 3.8Å; F528-Y603 HydrophobicContact CD1-CE1 3.8Å; F528-Y603 AromaticContact CD2-CD1 3.62Å; F528-Y603 HydrophobicContact CD2-CD1 3.62Å; F528-Y603 AromaticContact CD2-CE1 3.73Å; F528-Y603 HydrophobicContact CD2-CE1 3.73Å; F528-Y603 HydrophobicContact CE1-CD1 4.47Å; F528-Y603 AromaticContact CE1-CE1 3.8Å; F528-Y603 HydrophobicContact CE1-CE1 3.8Å; F528-Y603 AromaticContact CE2-CD1 3.56Å; F528-Y603 HydrophobicContact CE2-CD1 3.56Å; F528-Y603 AromaticContact CE2-CE1 3.74Å; F528-Y603 HydrophobicContact CE2-CE1 3.74Å; F528-Y603 HydrophobicContact CE2-CG 4.37Å; F528-Y603 HydrophobicContact CG-CD1 4.12Å; F528-Y603 AromaticContact CG-CE1 3.77Å; F528-Y603 HydrophobicContact CG-CE1 3.77Å; F528-Y603 HydrophobicContact CZ-CD1 4.02Å; F528-Y603 AromaticContact CZ-CE1 3.78Å; F528-Y603 HydrophobicContact CZ-CE1 3.78Å; F528-F606 VanDerWaalsContact CA-CE2 3.42Å; F528-F606 HydrophobicContact CB-CD2 4.36Å; F528-F606 HydrophobicContact CB-CE1 4.43Å; F528-F606 HydrophobicContact CB-CE2 4.22Å; F528-F606 HydrophobicContact CB-CZ 4.25Å; F528-F606 HydrophobicContact CD2-CB 3.65Å; F528-F606 HydrophobicContact CD2-CD1 4.02Å; F528-F606 HydrophobicContact CD2-CD2 4.08Å; F528-F606 AromaticContact CD2-CG 3.67Å; F528-F606 HydrophobicContact CD2-CG 3.67Å; F528-F606 HydrophobicContact CE2-CB 3.98Å; F528-F606 HydrophobicContact CE2-CG 4.48Å |
| 529 | Q | 96.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 53.7 Ų | 53.7 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | -179.6 | -67.9 | -177.7 | 17.6 | 0 | 0 | 111.5 | E525 S533 | E525-Q529 WeakPolarHBondContact O-CG 3.33Å; E525-Q529 PolarHBondContact O-N 3.1Å; E525-Q529 WeakPolarHBondContact OE1-CG 3.33Å; E525-Q529 PolarHBondContact OE1-NE2 3.07Å; Q529-S533 VanDerWaalsContact O-CB 3.22Å; Q529-S533 WeakPolarHBondContact O-CB 3.33Å; Q529-S533 PolarHBondContact O-N 2.99Å; Q529-S533 PolarHBondContact O-OG 2.89Å |
| 530 | Q | 97.3 | Very high | 94.9 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -53.3 | -179.1 | -77.5 | 170 | 101.8 | 0 | 0 | 112.7 | T517 D526 S527 F528 M532 S533 F534 | T517-Q530 PolarHBondContact O-NE2 2.74Å; D526-Q530 WeakPolarHBondContact O-CB 3.4Å; D526-Q530 PolarHBondContact O-N 2.97Å; D526-Q530 PolarHBondContact O-NE2 3.07Å; S527-Q530 PolarHBondContact O-N 3.4Å; F528-Q530 VanDerWaalsContact C-N 3.34Å; F528-Q530 PolarHBondContact O-N 2.84Å; Q530-M532 VanDerWaalsContact C-N 3.26Å; Q530-M532 PolarHBondContact O-N 2.78Å; Q530-S533 PolarHBondContact O-N 2.84Å; Q530-S533 VanDerWaalsContact O-N 3.09Å; Q530-S533 PolarHBondContact O-OG 3.14Å; Q530-F534 HydrophobicContact CB-CE2 4.14Å; Q530-F534 WeakPolarHBondContact O-CD2 3.48Å; Q530-F534 PolarHBondContact O-N 2.97Å; Q530-F534 VanDerWaalsContact O-N 3.08Å |
| 531 | I | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -34.7 | -178.7 | -65.2 | -179.5 | 0 | 0 | 0 | 111.7 | S527 L539 W562 F606 R609 M613 | S527-I531 WeakPolarHBondContact O-CB 3.42Å; S527-I531 WeakPolarHBondContact O-CG1 3.33Å; S527-I531 PolarHBondContact O-N 2.91Å; I531-L539 HydrophobicContact CG2-CD1 3.95Å; I531-L539 HydrophobicContact CG2-CD2 4.36Å; I531-W562 HydrophobicContact CD1-CH2 3.59Å; I531-W562 HydrophobicContact CD1-CZ2 3.81Å; I531-F606 HydrophobicContact CB-CD2 3.97Å; I531-F606 HydrophobicContact CB-CE2 3.98Å; I531-F606 HydrophobicContact CD1-CD2 4.33Å; I531-F606 HydrophobicContact CD1-CE2 3.68Å; I531-F606 HydrophobicContact CG1-CE2 4.22Å; I531-F606 HydrophobicContact CG2-CD2 4.11Å; I531-F606 HydrophobicContact CG2-CE2 4.44Å; I531-R609 HydrophobicContact CG2-CB 3.8Å; I531-R609 PolarHBondContact O-NH1 2.84Å; I531-M613 HydrophobicContact CD1-CE 4.06Å; I531-M613 HydrophobicContact CD1-SD 3.94Å; I531-M613 HydrophobicContact CG1-CE 4.43Å; I531-M613 HydrophobicContact CG1-SD 4.33Å; I531-M613 HydrophobicContact CG2-SD 4.08Å |
| 532 | M | 97.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.9 | -28.4 | 176.6 | -64.4 | -60.4 | -79.4 | 0 | 0 | 113 | F528 Q530 K605 F606 | F528-M532 HydrophobicContact CD2-CG 3.92Å; F528-M532 HydrophobicContact CE2-CG 3.83Å; F528-M532 VanDerWaalsContact O-CB 3.27Å; F528-M532 WeakPolarHBondContact O-CB 3.47Å; F528-M532 VanDerWaalsContact O-CG 3.24Å; F528-M532 WeakPolarHBondContact O-CG 3.28Å; F528-M532 PolarHBondContact O-N 3.06Å; Q530-M532 VanDerWaalsContact C-N 3.26Å; Q530-M532 PolarHBondContact O-N 2.78Å; M532-K605 HydrophobicContact CE-CB 4.2Å; M532-K605 HydrophobicContact CE-CG 4.17Å; M532-F606 HydrophobicContact CG-CB 4.02Å; M532-F606 HydrophobicContact CG-CD2 4.43Å; M532-F606 HydrophobicContact SD-CB 3.77Å |
| 533 | S | 97 | Very high | 95.3 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 62% | 0.622 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -73.8 | -29.1 | 174.5 | 76 | 0 | 0 | 0 | 0 | 114.1 | Q529 Q530 | Q529-S533 VanDerWaalsContact O-CB 3.22Å; Q529-S533 WeakPolarHBondContact O-CB 3.33Å; Q529-S533 PolarHBondContact O-N 2.99Å; Q529-S533 PolarHBondContact O-OG 2.89Å; Q530-S533 PolarHBondContact O-N 2.84Å; Q530-S533 VanDerWaalsContact O-N 3.09Å; Q530-S533 PolarHBondContact O-OG 3.14Å |
| 534 | F | 96.9 | Very high | 95.2 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 23% | 0.228 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -71.6 | 146.2 | 177.8 | -71.1 | -57.4 | 0 | 0 | 0 | 111.7 | I514 I516 Q530 L539 R609 | I514-F534 HydrophobicContact CB-CE1 4.48Å; I514-F534 HydrophobicContact CB-CZ 4.33Å; I514-F534 HydrophobicContact CD1-CD2 4.12Å; I514-F534 HydrophobicContact CD1-CE2 4.19Å; I514-F534 HydrophobicContact CG2-CE1 4.4Å; I516-F534 HydrophobicContact CG1-CE2 4.01Å; Q530-F534 HydrophobicContact CB-CE2 4.14Å; Q530-F534 WeakPolarHBondContact O-CD2 3.48Å; Q530-F534 PolarHBondContact O-N 2.97Å; Q530-F534 VanDerWaalsContact O-N 3.08Å; F534-L539 HydrophobicContact CB-CD2 3.81Å; F534-L539 HydrophobicContact CB-CG 4.3Å; F534-L539 HydrophobicContact CD2-CD2 3.95Å; F534-L539 HydrophobicContact CG-CD2 4.23Å; F534-R609 PolarHBondContact O-NH1 3.06Å |
| 535 | H | 96.3 | Very high | 95.1 | Very high | 104 Ų | 104 | 50.3 Ų | 50.3 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | trans | -69 | 137 | 168.4 | -175.7 | -109.6 | 0 | 0 | 0 | 109.4 | Q537 D538 | H535-Q537 PolarHBondContact O-N 3.33Å; H535-D538 WeakPolarHBondContact O-CB 3.43Å; H535-D538 PolarHBondContact O-N 2.87Å | ||
| 536 | P | 94.3 | Very high | 95 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.7 | -171.8 | -33 | 36.7 | 0 | 0 | 0 | 116.3 | D538 L539 E729 | P536-D538 VanDerWaalsContact C-N 3.3Å; P536-D538 PolarHBondContact O-N 3.25Å; P536-L539 WeakPolarHBondContact O-CB 3.35Å; P536-L539 PolarHBondContact O-N 3.5Å; P536-E729 HydrophobicContact CB-CB 3.81Å; P536-E729 HydrophobicContact CB-CG 4.36Å; P536-E729 VanDerWaalsContact CB-O 3.32Å; P536-E729 WeakPolarHBondContact CB-O 3.32Å; P536-E729 HydrophobicContact CG-CB 3.84Å; P536-E729 HydrophobicContact CG-CG 3.89Å |
| 537 | Q | 92.7 | Very high | 94.8 | Very high | 93 Ų | 93 | 49 Ų | 49 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -27.2 | 180 | -63.7 | 176.9 | -7 | 0 | 0 | 112.5 | M510 H535 L539 R540 | M510-Q537 WeakPolarHBondContact CG-O 3.47Å; H535-Q537 PolarHBondContact O-N 3.33Å; Q537-L539 VanDerWaalsContact C-N 3.27Å; Q537-L539 PolarHBondContact O-N 2.92Å; Q537-R540 WeakPolarHBondContact O-CB 3.43Å; Q537-R540 PolarHBondContact O-N 2.88Å; Q537-R540 VanDerWaalsContact O-N 3.15Å |
| 538 | D | 95.6 | Very high | 94.4 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -72.3 | -23.4 | 177.3 | -66 | -44.6 | 0 | 0 | 0 | 112.2 | I514 H535 P536 R540 R541 | I514-D538 HydrophobicContact CG2-CB 4.07Å; H535-D538 WeakPolarHBondContact O-CB 3.43Å; H535-D538 PolarHBondContact O-N 2.87Å; P536-D538 VanDerWaalsContact C-N 3.3Å; P536-D538 PolarHBondContact O-N 3.25Å; D538-R540 PolarHBondContact O-N 3.03Å; D538-R541 VanDerWaalsContact O-CB 3.3Å; D538-R541 WeakPolarHBondContact O-CB 3.45Å; D538-R541 WeakPolarHBondContact O-CG 3.45Å; D538-R541 PolarHBondContact O-N 2.88Å; D538-R541 IonicContact OD1-CZ 3.87Å; D538-R541 IonicContact OD1-NE 3.73Å; D538-R541 PolarHBondContact OD1-NE 2.65Å; D538-R541 IonicContact OD1-NH2 3.71Å; D538-R541 PolarHBondContact OD1-NH2 3.27Å |
| 539 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -67.1 | -9.7 | 171.6 | -56.2 | 175.5 | 0 | 0 | 0 | 112.7 | I514 I531 F534 P536 Q537 R609 M613 H617 V730 | I514-L539 HydrophobicContact CD1-CD2 3.72Å; I531-L539 HydrophobicContact CG2-CD1 3.95Å; I531-L539 HydrophobicContact CG2-CD2 4.36Å; F534-L539 HydrophobicContact CB-CD2 3.81Å; F534-L539 HydrophobicContact CB-CG 4.3Å; F534-L539 HydrophobicContact CD2-CD2 3.95Å; F534-L539 HydrophobicContact CG-CD2 4.23Å; P536-L539 WeakPolarHBondContact O-CB 3.35Å; P536-L539 PolarHBondContact O-N 3.5Å; Q537-L539 VanDerWaalsContact C-N 3.27Å; Q537-L539 PolarHBondContact O-N 2.92Å; L539-R609 HydrophobicContact CD1-CB 4.34Å; L539-R609 HydrophobicContact CD1-CG 4.35Å; L539-M613 HydrophobicContact CB-CG 4.11Å; L539-M613 HydrophobicContact CB-SD 4.08Å; L539-M613 HydrophobicContact CD1-SD 4.01Å; L539-M613 HydrophobicContact CD2-CE 4.28Å; L539-M613 HydrophobicContact CD2-SD 3.91Å; L539-M613 HydrophobicContact CG-SD 4.22Å; L539-H617 PolarHBondContact O-NE2 3.29Å; L539-V730 HydrophobicContact CB-CG1 4.49Å; L539-V730 HydrophobicContact CB-CG2 4.12Å; L539-V730 HydrophobicContact CD1-CG2 3.61Å; L539-V730 HydrophobicContact CG-CG2 4.48Å |
| 540 | R | 95.4 | Very high | 93.3 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -90.4 | -1.7 | 170.5 | -55.1 | -178.5 | -170.3 | 151.4 | 8.5 | 113.7 | L508 M510 Q537 D538 F616 E729 V730 | L508-R540 WeakPolarHBondContact O-CD 3.46Å; M510-R540 HydrophobicContact CB-CB 4.44Å; M510-R540 HydrophobicContact CG-CB 4.13Å; M510-R540 PolarHBondContact N-O 3.25Å; M510-R540 VanDerWaalsContact N-O 3.13Å; Q537-R540 WeakPolarHBondContact O-CB 3.43Å; Q537-R540 PolarHBondContact O-N 2.88Å; Q537-R540 VanDerWaalsContact O-N 3.15Å; D538-R540 PolarHBondContact O-N 3.03Å; R540-F616 HydrophobicContact CB-CE1 3.84Å; R540-F616 HydrophobicContact CB-CE2 4.23Å; R540-F616 HydrophobicContact CB-CZ 3.62Å; R540-F616 HydrophobicContact CG-CD2 4.42Å; R540-F616 HydrophobicContact CG-CE1 4.29Å; R540-F616 HydrophobicContact CG-CE2 3.9Å; R540-F616 HydrophobicContact CG-CZ 3.84Å; R540-E729 PolarHBondContact NH2-O 2.83Å; R540-E729 VanDerWaalsContact NH2-O 3.13Å; R540-V730 VanDerWaalsContact CZ-O 3.31Å; R540-V730 PolarHBondContact NE-O 2.92Å; R540-V730 PolarHBondContact NH2-O 3.07Å; R540-V730 VanDerWaalsContact NH2-O 3.08Å |
| 541 | R | 93.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 163.4 | 170.5 | -60 | -179.4 | -166.7 | -113.5 | 14.2 | 110.3 | M510 P511 Q512 I514 D538 L543 H617 | M510-R541 HydrophobicContact CB-CB 4.49Å; M510-R541 HydrophobicContact CB-CG 3.48Å; M510-R541 VanDerWaalsContact CB-CG 3.48Å; M510-R541 WeakPolarHBondContact O-CA 3.45Å; P511-R541 WeakPolarHBondContact O-CD 3.27Å; P511-R541 WeakPolarHBondContact O-CG 3.38Å; P511-R541 PolarHBondContact O-NH1 3.32Å; Q512-R541 VanDerWaalsContact OE1-NH1 3.1Å; I514-R541 HydrophobicContact CG2-CB 4.39Å; D538-R541 VanDerWaalsContact O-CB 3.3Å; D538-R541 WeakPolarHBondContact O-CB 3.45Å; D538-R541 WeakPolarHBondContact O-CG 3.45Å; D538-R541 PolarHBondContact O-N 2.88Å; D538-R541 IonicContact OD1-CZ 3.87Å; D538-R541 IonicContact OD1-NE 3.73Å; D538-R541 PolarHBondContact OD1-NE 2.65Å; D538-R541 IonicContact OD1-NH2 3.71Å; D538-R541 PolarHBondContact OD1-NH2 3.27Å; R541-L543 PolarHBondContact O-N 3.41Å; R541-L543 VanDerWaalsContact O-N 3.17Å; R541-H617 PolarHBondContact O-CE1 3.29Å |
| 542 | R | 90.4 | Very high | 90.2 | Very high | 138 Ų | 138 | 65.1 Ų | 65.1 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 123.9 | 174 | 178.1 | 173.4 | 173.3 | 169.9 | -2.5 | 110.1 | Q512 H513 I514 D554 | Q512-R542 PolarHBondContact O-N 3.01Å; H513-R542 CarbonylContact C-O 3.54Å; H513-R542 WeakPolarHBondContact CA-O 3.21Å; H513-R542 HydrophobicContact CB-CB 4.29Å; H513-R542 VanDerWaalsContact CB-O 3.23Å; H513-R542 WeakPolarHBondContact CB-O 3.38Å; I514-R542 PolarHBondContact N-O 3.32Å; R542-D554 PolarHBondContact NH2-O 2.88Å |
| 543 | L | 91.4 | Very high | 88.3 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132 | 174.2 | -50.6 | -178 | 0 | 0 | 0 | 109.8 | I514 I516 R541 I545 F563 M613 | I514-L543 HydrophobicContact CD1-CD2 3.66Å; I514-L543 HydrophobicContact CG1-CD2 3.7Å; I516-L543 HydrophobicContact CD1-CD2 4.39Å; R541-L543 PolarHBondContact O-N 3.41Å; R541-L543 VanDerWaalsContact O-N 3.17Å; L543-I545 HydrophobicContact CB-CD1 4.33Å; L543-F563 HydrophobicContact CD1-CE2 3.8Å; L543-F563 HydrophobicContact CD1-CZ 3.96Å; L543-M613 HydrophobicContact CD1-CE 3.74Å; L543-M613 HydrophobicContact CD2-CE 3.89Å; L543-M613 HydrophobicContact CG-CE 4.5Å |
| 544 | W | 91.2 | Very high | 86.5 | Confident | 93 Ų | 93 | 66 Ų | 66 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.3 | 163.3 | -79.3 | 12.2 | 0 | 0 | 0 | 108.2 | H513 I514 K515 I516 D554 | H513-W544 HydrophobicContact CB-CD2 4.4Å; H513-W544 HydrophobicContact CB-CG 4.27Å; H513-W544 AromaticContact CD2-CD2 3.71Å; H513-W544 AromaticContact CD2-CE2 3.43Å; H513-W544 VanDerWaalsContact CD2-CE2 3.43Å; H513-W544 AromaticContact CD2-CE3 3.93Å; H513-W544 AromaticContact CD2-CH2 3.65Å; H513-W544 AromaticContact CD2-CZ2 3.42Å; H513-W544 VanDerWaalsContact CD2-CZ2 3.42Å; H513-W544 WeakPolarHBondContact CD2-CZ2 3.41Å; H513-W544 AromaticContact CD2-CZ3 3.9Å; H513-W544 AromaticContact NE2-CH2 3.64Å; H513-W544 AromaticContact NE2-CZ2 3.93Å; H513-W544 AromaticContact NE2-CZ3 3.69Å; I514-W544 PolarHBondContact O-N 3.31Å; K515-W544 WeakPolarHBondContact CA-O 3.43Å; K515-W544 HydrophobicContact CG-CB 4.35Å; K515-W544 HydrophobicContact CG-CE3 4.35Å; I516-W544 PolarHBondContact N-O 3.14Å; W544-D554 WeakPolarHBondContact CA-OD2 3.35Å |
| 545 | I | 91.9 | Very high | 84.6 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.6 | 177.4 | -46.8 | -55.4 | 0 | 0 | 0 | 110 | I516 V518 L543 F547 D554 V558 A559 W562 | I516-I545 HydrophobicContact CB-CD1 3.76Å; I516-I545 HydrophobicContact CD1-CD1 3.92Å; I516-I545 HydrophobicContact CG1-CD1 4.35Å; I516-I545 HydrophobicContact CG2-CD1 4.15Å; I516-I545 WeakPolarHBondContact O-CA 3.07Å; V518-I545 HydrophobicContact CG2-CG2 4.06Å; L543-I545 HydrophobicContact CB-CD1 4.33Å; I545-F547 HydrophobicContact CG2-CE2 4.43Å; I545-D554 PolarHBondContact N-OD2 3.19Å; I545-V558 HydrophobicContact CB-CG1 4.1Å; I545-V558 HydrophobicContact CG2-CG1 4.32Å; I545-A559 HydrophobicContact CG1-CB 4.04Å; I545-W562 HydrophobicContact CB-CB 4.41Å; I545-W562 HydrophobicContact CD1-CD2 3.92Å; I545-W562 HydrophobicContact CD1-CE3 3.95Å; I545-W562 HydrophobicContact CD1-CG 4.27Å; I545-W562 HydrophobicContact CD1-CZ3 4.4Å; I545-W562 HydrophobicContact CG1-CB 4.07Å; I545-W562 HydrophobicContact CG1-CD2 4.2Å; I545-W562 HydrophobicContact CG1-CE3 4.3Å; I545-W562 HydrophobicContact CG1-CG 4.11Å; I545-W562 HydrophobicContact CG2-CB 3.85Å; I545-W562 HydrophobicContact CG2-CG 3.8Å |
| 546 | I | 91.1 | Very high | 83.1 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 32% | 0.323 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 118.4 | -177.7 | -56.5 | 174.4 | 0 | 0 | 0 | 108.9 | K515 I516 T517 V518 | K515-I546 HydrophobicContact CB-CD1 4.35Å; K515-I546 HydrophobicContact CD-CD1 4.12Å; K515-I546 HydrophobicContact CG-CD1 4.36Å; I516-I546 PolarHBondContact O-N 2.92Å; T517-I546 CarbonylContact C-O 3.49Å; T517-I546 WeakPolarHBondContact CA-O 3.43Å; T517-I546 HydrophobicContact CG2-CB 4.32Å; T517-I546 HydrophobicContact CG2-CG2 4.25Å; V518-I546 PolarHBondContact N-O 2.99Å |
| 547 | F | 91.8 | Very high | 82.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | trans | -93.3 | 113.8 | 165.4 | -69.2 | -75 | 0 | 0 | 0 | 109 | V518 R520 L523 I545 G549 E550 V558 W562 | V518-F547 HydrophobicContact CG2-CD1 4.05Å; V518-F547 HydrophobicContact CG2-CE1 3.79Å; V518-F547 HydrophobicContact CG2-CZ 4.36Å; V518-F547 WeakPolarHBondContact O-CA 3.44Å; V518-F547 VanDerWaalsContact O-CD1 3.22Å; V518-F547 WeakPolarHBondContact O-CD1 3.38Å; R520-F547 HydrophobicContact CG-CD1 3.66Å; R520-F547 HydrophobicContact CG-CE1 3.84Å; R520-F547 HydrophobicContact CG-CG 4.46Å; L523-F547 HydrophobicContact CD1-CE1 4.27Å; I545-F547 HydrophobicContact CG2-CE2 4.43Å; F547-G549 PolarHBondContact O-N 2.85Å; F547-E550 HydrophobicContact CB-CB 4.13Å; F547-E550 HydrophobicContact CB-CG 4.25Å; F547-E550 PolarHBondContact O-N 2.69Å; F547-E550 VanDerWaalsContact O-N 3.17Å; F547-V558 HydrophobicContact CD2-CG1 3.61Å; F547-V558 HydrophobicContact CE2-CG1 3.68Å; F547-W562 HydrophobicContact CZ-CB 4.38Å | ||
| 548 | P | 90.2 | Very high | 82 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 123.9 | -176.2 | -26.7 | 36.2 | 0 | 0 | 0 | 113 | T517 V518 | T517-P548 HydrophobicContact CG2-CG 3.73Å; V518-P548 WeakPolarHBondContact O-CD 3.34Å |
| 549 | G | 84 | Confident | 81.7 | Confident | 89 Ų | 89 | 64 Ų | 64 | 92% | 0.918 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | 2.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | F547 | F547-G549 PolarHBondContact O-N 2.85Š|
| 550 | E | 84.8 | Confident | 81.2 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -116 | 131.4 | 179.5 | -63.4 | 172.8 | -144.5 | 0 | 0 | 111.3 | R520 F547 G552 | R520-E550 VanDerWaalsContact CD-OE1 3.25Å; R520-E550 WeakPolarHBondContact CD-OE1 3.33Å; R520-E550 IonicContact CZ-OE1 3.98Å; R520-E550 IonicContact CZ-OE2 2.63Å; R520-E550 VanDerWaalsContact CZ-OE2 3.24Å; R520-E550 IonicContact NE-OE1 2.97Å; R520-E550 PolarHBondContact NE-OE1 3.16Å; R520-E550 IonicContact NE-OE2 3.33Å; R520-E550 PolarHBondContact NE-OE2 3.17Å; R520-E550 IonicContact NH2-OE2 2.74Å; R520-E550 PolarHBondContact NH2-OE2 3.24Å; F547-E550 HydrophobicContact CB-CB 4.13Å; F547-E550 HydrophobicContact CB-CG 4.25Å; F547-E550 PolarHBondContact O-N 2.69Å; F547-E550 VanDerWaalsContact O-N 3.17Å; E550-G552 PolarHBondContact O-N 2.84Å |
| 551 | E | 69.3 | Low | 80.9 | Confident | 211 Ų | 211 | 68.5 Ų | 68.5 | 99% | 0.986 | 36% | 0.363 | S | S | * | . | trans | -80.8 | 81.3 | 178.7 | -67.6 | -165.4 | 161 | 0 | 0 | 111.6 | ||||
| 552 | G | 62.3 | Low | 80.9 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | trans | -103.8 | 108.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E550 D554 | E550-G552 PolarHBondContact O-N 2.84Å; G552-D554 PolarHBondContact O-N 2.91Å | ||
| 553 | L | 57.7 | Low | 81.2 | Confident | 138 Ų | 138 | 59.8 Ų | 59.8 | 72% | 0.723 | 33% | 0.33 | S | S | * | . | trans | -78.8 | 107.4 | 165.2 | -67 | 174.5 | 0 | 0 | 0 | 109.4 | Y555 | L553-Y555 VanDerWaalsContact C-N 3.26Å; L553-Y555 HydrophobicContact CB-CD2 3.85Å; L553-Y555 HydrophobicContact CB-CE2 3.58Å; L553-Y555 HydrophobicContact CD1-CE2 4.02Å; L553-Y555 HydrophobicContact CG-CE2 4.4Å; L553-Y555 WeakPolarHBondContact O-CD2 3.47Å; L553-Y555 PolarHBondContact O-N 2.98Å | ||
| 554 | D | 58.8 | Low | 81.1 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | trans | -78.7 | 70.1 | -171.7 | -159.6 | 5.4 | 0 | 0 | 0 | 114.2 | R542 W544 I545 G552 G556 V558 | R542-D554 PolarHBondContact NH2-O 2.88Å; W544-D554 WeakPolarHBondContact CA-OD2 3.35Å; I545-D554 PolarHBondContact N-OD2 3.19Å; G552-D554 PolarHBondContact O-N 2.91Å; D554-G556 PolarHBondContact O-N 3.2Å; D554-G556 WeakPolarHBondContact OD1-CA 3.1Å; D554-G556 PolarHBondContact OD1-N 3.24Å; D554-V558 HydrophobicContact CB-CG2 4.49Å | ||
| 555 | Y | 56.7 | Low | 81.2 | Confident | 192 Ų | 192 | 56.6 Ų | 56.6 | 75% | 0.753 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -72.8 | 20.2 | 159.2 | -60.1 | -73.5 | 0 | 0 | 0 | 112.1 | L553 | L553-Y555 VanDerWaalsContact C-N 3.26Å; L553-Y555 HydrophobicContact CB-CD2 3.85Å; L553-Y555 HydrophobicContact CB-CE2 3.58Å; L553-Y555 HydrophobicContact CD1-CE2 4.02Å; L553-Y555 HydrophobicContact CG-CE2 4.4Å; L553-Y555 WeakPolarHBondContact O-CD2 3.47Å; L553-Y555 PolarHBondContact O-N 2.98Å |
| 556 | G | 65.8 | Low | 81.3 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 90.9 | -1.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D554 R560 K619 | D554-G556 PolarHBondContact O-N 3.2Å; D554-G556 WeakPolarHBondContact OD1-CA 3.1Å; D554-G556 PolarHBondContact OD1-N 3.24Å; G556-R560 WeakPolarHBondContact O-CG 3.44Å; G556-R560 PolarHBondContact O-N 2.98Å; G556-K619 PolarHBondContact O-NZ 2.7Å |
| 557 | G | 77.1 | Confident | 81.3 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.2 | -48.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A559 R560 E561 | G557-A559 PolarHBondContact O-N 3.1Å; G557-R560 WeakPolarHBondContact O-CB 3.43Å; G557-R560 PolarHBondContact O-N 2.84Å; G557-E561 PolarHBondContact O-N 3.18Å |
| 558 | V | 86.2 | Confident | 81.1 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -41 | 174.6 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | I545 F547 D554 R560 E561 W562 | I545-V558 HydrophobicContact CB-CG1 4.1Å; I545-V558 HydrophobicContact CG2-CG1 4.32Å; F547-V558 HydrophobicContact CD2-CG1 3.61Å; F547-V558 HydrophobicContact CE2-CG1 3.68Å; D554-V558 HydrophobicContact CB-CG2 4.49Å; V558-R560 PolarHBondContact O-N 3.12Å; V558-E561 PolarHBondContact O-N 3.3Å; V558-W562 WeakPolarHBondContact O-CB 3.38Å; V558-W562 PolarHBondContact O-N 2.97Å |
| 559 | A | 89 | Confident | 81.1 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I545 G557 W562 F563 | I545-A559 HydrophobicContact CG1-CB 4.04Å; G557-A559 PolarHBondContact O-N 3.1Å; A559-W562 PolarHBondContact O-N 3.42Å; A559-F563 VanDerWaalsContact O-CD2 3.29Å; A559-F563 WeakPolarHBondContact O-CD2 3.36Å; A559-F563 PolarHBondContact O-N 2.68Å; A559-F563 VanDerWaalsContact O-N 3.1Å |
| 560 | R | 87.6 | Confident | 81.4 | Confident | 79 Ų | 79 | 47 Ų | 47 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.2 | -72.9 | 176.3 | -168 | 148.7 | 2.6 | 111.3 | F392 G556 G557 V558 F563 F564 K619 | F392-R560 VanDerWaalsContact CE1-NH2 3.32Å; F392-R560 VanDerWaalsContact CZ-NH2 3.33Å; G556-R560 WeakPolarHBondContact O-CG 3.44Å; G556-R560 PolarHBondContact O-N 2.98Å; G557-R560 WeakPolarHBondContact O-CB 3.43Å; G557-R560 PolarHBondContact O-N 2.84Å; V558-R560 PolarHBondContact O-N 3.12Å; R560-F563 PolarHBondContact O-N 2.99Å; R560-F564 WeakPolarHBondContact O-CB 3.48Å; R560-F564 PolarHBondContact O-N 2.86Å; R560-K619 HydrophobicContact CG-CD 4.06Å |
| 561 | E | 89.2 | Confident | 81.5 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 23% | 0.229 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 176.6 | -178.9 | 175.2 | -147.6 | 0 | 0 | 111.9 | M377 R520 G557 V558 F564 L565 | M377-E561 VanDerWaalsContact CE-CA 3.43Å; M377-E561 HydrophobicContact CE-CB 3.59Å; M377-E561 HydrophobicContact CE-CG 3.99Å; R520-E561 IonicContact CZ-OE1 2.73Å; R520-E561 IonicContact CZ-OE2 2.7Å; R520-E561 VanDerWaalsContact NH1-CD 3.28Å; R520-E561 IonicContact NH1-OE1 3.87Å; R520-E561 PolarHBondContact NH1-OE1 3.01Å; R520-E561 IonicContact NH1-OE2 2.99Å; R520-E561 IonicContact NH2-OE1 3.39Å; R520-E561 PolarHBondContact NH2-OE1 3.43Å; R520-E561 IonicContact NH2-OE2 3.25Å; R520-E561 PolarHBondContact NH2-OE2 3.42Å; G557-E561 PolarHBondContact O-N 3.18Å; V558-E561 PolarHBondContact O-N 3.3Å; E561-F564 PolarHBondContact O-N 2.85Å; E561-L565 HydrophobicContact CG-CD1 3.69Å; E561-L565 HydrophobicContact CG-CG 4.09Å; E561-L565 WeakPolarHBondContact O-CB 3.45Å; E561-L565 WeakPolarHBondContact O-CG 3.14Å; E561-L565 PolarHBondContact O-N 2.84Å |
| 562 | W | 93.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 178.2 | 176.6 | 78.9 | 0 | 0 | 0 | 112.9 | I516 S527 I531 I545 F547 V558 A559 L566 F610 M613 | I516-W562 HydrophobicContact CD1-CH2 4.37Å; I516-W562 HydrophobicContact CD1-CZ2 4.49Å; I516-W562 HydrophobicContact CG2-CZ2 4.29Å; S527-W562 PolarHBondContact OG-NE1 2.98Å; I531-W562 HydrophobicContact CD1-CH2 3.59Å; I531-W562 HydrophobicContact CD1-CZ2 3.81Å; I545-W562 HydrophobicContact CB-CB 4.41Å; I545-W562 HydrophobicContact CD1-CD2 3.92Å; I545-W562 HydrophobicContact CD1-CE3 3.95Å; I545-W562 HydrophobicContact CD1-CG 4.27Å; I545-W562 HydrophobicContact CD1-CZ3 4.4Å; I545-W562 HydrophobicContact CG1-CB 4.07Å; I545-W562 HydrophobicContact CG1-CD2 4.2Å; I545-W562 HydrophobicContact CG1-CE3 4.3Å; I545-W562 HydrophobicContact CG1-CG 4.11Å; I545-W562 HydrophobicContact CG2-CB 3.85Å; I545-W562 HydrophobicContact CG2-CG 3.8Å; F547-W562 HydrophobicContact CZ-CB 4.38Å; V558-W562 WeakPolarHBondContact O-CB 3.38Å; V558-W562 PolarHBondContact O-N 2.97Å; A559-W562 PolarHBondContact O-N 3.42Å; W562-L566 HydrophobicContact CH2-CD2 3.96Å; W562-L566 HydrophobicContact CZ2-CD2 3.43Å; W562-L566 VanDerWaalsContact CZ2-CD2 3.43Å; W562-L566 WeakPolarHBondContact O-CB 3.44Å; W562-L566 PolarHBondContact O-N 3.07Å; W562-F610 HydrophobicContact CH2-CD2 4.22Å; W562-F610 HydrophobicContact CH2-CE2 4.46Å; W562-F610 HydrophobicContact CZ3-CD2 4.43Å; W562-F610 HydrophobicContact CZ3-CE2 4.35Å; W562-M613 HydrophobicContact CH2-CE 4.02Å; W562-M613 HydrophobicContact CZ3-CE 4.31Å |
| 563 | F | 94.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 173.7 | -85.9 | -78 | 0 | 0 | 0 | 111.9 | L543 A559 R560 S567 F610 M613 A614 K619 F620 I621 | L543-F563 HydrophobicContact CD1-CE2 3.8Å; L543-F563 HydrophobicContact CD1-CZ 3.96Å; A559-F563 VanDerWaalsContact O-CD2 3.29Å; A559-F563 WeakPolarHBondContact O-CD2 3.36Å; A559-F563 PolarHBondContact O-N 2.68Å; A559-F563 VanDerWaalsContact O-N 3.1Å; R560-F563 PolarHBondContact O-N 2.99Å; F563-S567 WeakPolarHBondContact O-CB 3.39Å; F563-S567 PolarHBondContact O-N 3.44Å; F563-S567 PolarHBondContact O-OG 3.41Å; F563-F610 HydrophobicContact CD1-CD2 4.01Å; F563-F610 AromaticContact CD1-CE2 3.32Å; F563-F610 HydrophobicContact CD1-CE2 3.32Å; F563-F610 AromaticContact CD1-CZ 3.86Å; F563-F610 HydrophobicContact CD1-CZ 3.86Å; F563-F610 AromaticContact CE1-CD2 3.92Å; F563-F610 HydrophobicContact CE1-CD2 3.92Å; F563-F610 AromaticContact CE1-CE2 3.72Å; F563-F610 HydrophobicContact CE1-CE2 3.72Å; F563-F610 HydrophobicContact CG-CE2 4.24Å; F563-M613 HydrophobicContact CE1-CB 4.2Å; F563-M613 HydrophobicContact CZ-CB 3.97Å; F563-A614 HydrophobicContact CD1-CB 3.78Å; F563-A614 VanDerWaalsContact CE1-CA 3.42Å; F563-A614 HydrophobicContact CE1-CB 3.57Å; F563-A614 HydrophobicContact CZ-CB 4.43Å; F563-K619 HydrophobicContact CB-CB 4.29Å; F563-K619 HydrophobicContact CD1-CB 4.35Å; F563-K619 HydrophobicContact CD2-CB 3.39Å; F563-K619 HydrophobicContact CD2-CD 4.42Å; F563-K619 HydrophobicContact CD2-CG 3.55Å; F563-K619 HydrophobicContact CE2-CB 3.69Å; F563-K619 HydrophobicContact CE2-CG 3.55Å; F563-K619 HydrophobicContact CG-CB 3.76Å; F563-K619 HydrophobicContact CG-CG 4.42Å; F563-K619 HydrophobicContact CZ-CB 4.28Å; F563-K619 HydrophobicContact CZ-CG 4.41Å; F563-F620 WeakPolarHBondContact CB-O 3.44Å; F563-I621 HydrophobicContact CB-CG2 4.26Å; F563-I621 HydrophobicContact CD1-CG2 4.01Å |
| 564 | F | 91.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -53.2 | 176.7 | 175 | -106.3 | 0 | 0 | 0 | 112.6 | L373 A376 M377 F380 R560 E561 S567 H568 D622 | L373-F564 HydrophobicContact CB-CE1 4.1Å; L373-F564 HydrophobicContact CB-CZ 4.23Å; L373-F564 HydrophobicContact CD2-CZ 4Å; A376-F564 HydrophobicContact CB-CZ 4.19Å; M377-F564 HydrophobicContact CB-CD1 4.34Å; M377-F564 HydrophobicContact CB-CE1 3.8Å; M377-F564 HydrophobicContact CB-CZ 4.18Å; M377-F564 HydrophobicContact CG-CD1 4.31Å; M377-F564 HydrophobicContact CG-CE1 4.27Å; M377-F564 HydrophobicContact SD-CB 4.12Å; M377-F564 HydrophobicContact SD-CD1 3.53Å; M377-F564 VanDerWaalsContact SD-CD1 3.53Å; M377-F564 HydrophobicContact SD-CD2 4.35Å; M377-F564 HydrophobicContact SD-CE1 3.96Å; M377-F564 HydrophobicContact SD-CG 3.75Å; F380-F564 HydrophobicContact CB-CD2 4.02Å; F380-F564 HydrophobicContact CB-CE2 3.91Å; F380-F564 HydrophobicContact CD1-CB 4Å; F380-F564 AromaticContact CD1-CD2 3.67Å; F380-F564 HydrophobicContact CD1-CD2 3.67Å; F380-F564 HydrophobicContact CD1-CE2 4.41Å; F380-F564 HydrophobicContact CD1-CG 4.01Å; F380-F564 AromaticContact CD2-CD2 3.51Å; F380-F564 HydrophobicContact CD2-CD2 3.51Å; F380-F564 AromaticContact CD2-CE2 3.92Å; F380-F564 HydrophobicContact CD2-CE2 3.92Å; F380-F564 HydrophobicContact CE1-CB 3.65Å; F380-F564 AromaticContact CE1-CD2 3.94Å; F380-F564 HydrophobicContact CE1-CD2 3.94Å; F380-F564 HydrophobicContact CE1-CG 4.13Å; F380-F564 AromaticContact CE2-CD2 3.79Å; F380-F564 HydrophobicContact CE2-CD2 3.79Å; F380-F564 AromaticContact CG-CD2 3.43Å; F380-F564 HydrophobicContact CG-CD2 3.43Å; F380-F564 VanDerWaalsContact CG-CD2 3.43Å; F380-F564 AromaticContact CG-CE2 3.82Å; F380-F564 HydrophobicContact CG-CE2 3.82Å; F380-F564 HydrophobicContact CG-CG 4.23Å; F380-F564 HydrophobicContact CZ-CB 3.97Å; F380-F564 AromaticContact CZ-CD2 3.97Å; F380-F564 HydrophobicContact CZ-CD2 3.97Å; F380-F564 HydrophobicContact CZ-CG 4.44Å; R560-F564 WeakPolarHBondContact O-CB 3.48Å; R560-F564 PolarHBondContact O-N 2.86Å; E561-F564 PolarHBondContact O-N 2.85Å; F564-S567 PolarHBondContact O-N 3.08Å; F564-S567 PolarHBondContact O-OG 2.81Å; F564-H568 AromaticContact CD2-CE1 3.98Å; F564-H568 AromaticContact CE2-CE1 3.53Å; F564-H568 AromaticContact CZ-CE1 3.78Å; F564-H568 PolarHBondContact O-N 3.09Å; F564-H568 PolarHBondContact O-ND1 2.73Å; F564-D622 HydrophobicContact CD2-CB 4.22Å; F564-D622 HydrophobicContact CE2-CB 4.21Å |
| 565 | L | 91.7 | Very high | 86 | Confident | 37 Ų | 37 | 28.3 Ų | 28.3 | 19% | 0.194 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.8 | -46 | -177.7 | -66.2 | 176.8 | 0 | 0 | 0 | 111.5 | L523 E561 S567 H568 E569 | L523-L565 HydrophobicContact CD2-CB 3.43Å; L523-L565 VanDerWaalsContact CD2-CB 3.43Å; L523-L565 HydrophobicContact CD2-CD1 4.42Å; E561-L565 HydrophobicContact CG-CD1 3.69Å; E561-L565 HydrophobicContact CG-CG 4.09Å; E561-L565 WeakPolarHBondContact O-CB 3.45Å; E561-L565 WeakPolarHBondContact O-CG 3.14Å; E561-L565 PolarHBondContact O-N 2.84Å; L565-S567 VanDerWaalsContact C-N 3.26Å; L565-S567 PolarHBondContact O-N 2.82Å; L565-H568 PolarHBondContact O-N 2.84Å; L565-E569 PolarHBondContact O-N 3.38Å; L565-E569 VanDerWaalsContact O-N 3.13Å |
| 566 | L | 94.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.7 | -32.5 | 179 | -176.1 | 56.4 | 0 | 0 | 0 | 111.8 | F524 W562 H568 E569 V570 F606 F610 | F524-L566 HydrophobicContact CD2-CD1 4.08Å; W562-L566 HydrophobicContact CH2-CD2 3.96Å; W562-L566 HydrophobicContact CZ2-CD2 3.43Å; W562-L566 VanDerWaalsContact CZ2-CD2 3.43Å; W562-L566 WeakPolarHBondContact O-CB 3.44Å; W562-L566 PolarHBondContact O-N 3.07Å; L566-H568 PolarHBondContact O-N 3.21Å; L566-E569 HydrophobicContact CD1-CB 4.33Å; L566-E569 PolarHBondContact O-N 3.37Å; L566-E569 VanDerWaalsContact O-N 3.15Å; L566-V570 WeakPolarHBondContact O-CG1 3.26Å; L566-V570 PolarHBondContact O-N 3.14Å; L566-V570 VanDerWaalsContact O-N 3.08Å; L566-F606 HydrophobicContact CD1-CZ 4.16Å; L566-F606 HydrophobicContact CD2-CZ 4.08Å; L566-F610 HydrophobicContact CB-CE2 3.97Å; L566-F610 HydrophobicContact CB-CZ 4.08Å; L566-F610 HydrophobicContact CD2-CD2 3.61Å; L566-F610 HydrophobicContact CD2-CE2 3.55Å; L566-F610 HydrophobicContact CD2-CG 4.41Å; L566-F610 HydrophobicContact CD2-CZ 4.31Å; L566-F610 HydrophobicContact CG-CD2 4.18Å; L566-F610 HydrophobicContact CG-CE2 3.79Å; L566-F610 HydrophobicContact CG-CZ 4.04Å |
| 567 | S | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.9 | -20.4 | 174.3 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | F563 F564 L565 V570 D622 T623 | F563-S567 WeakPolarHBondContact O-CB 3.39Å; F563-S567 PolarHBondContact O-N 3.44Å; F563-S567 PolarHBondContact O-OG 3.41Å; F564-S567 PolarHBondContact O-N 3.08Å; F564-S567 PolarHBondContact O-OG 2.81Å; L565-S567 VanDerWaalsContact C-N 3.26Å; L565-S567 PolarHBondContact O-N 2.82Å; S567-V570 WeakPolarHBondContact O-CG2 3.49Å; S567-D622 PolarHBondContact OG-N 3.21Å; S567-T623 WeakPolarHBondContact O-CG2 3.2Å |
| 568 | H | 87.7 | Confident | 89.3 | Confident | 32 Ų | 32 | 17.7 Ų | 17.7 | 15% | 0.148 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -83.9 | -42 | 167.8 | -70.4 | 85.6 | 0 | 0 | 0 | 111.4 | L373 F564 L565 L566 V570 L571 | L373-H568 HydrophobicContact CD1-CB 4.06Å; L373-H568 VanDerWaalsContact CD2-NE2 3.32Å; L373-H568 WeakPolarHBondContact CD2-NE2 3.32Å; F564-H568 AromaticContact CD2-CE1 3.98Å; F564-H568 AromaticContact CE2-CE1 3.53Å; F564-H568 AromaticContact CZ-CE1 3.78Å; F564-H568 PolarHBondContact O-N 3.09Å; F564-H568 PolarHBondContact O-ND1 2.73Å; L565-H568 PolarHBondContact O-N 2.84Å; L566-H568 PolarHBondContact O-N 3.21Å; H568-V570 VanDerWaalsContact C-N 3.31Å; H568-V570 PolarHBondContact O-N 3.12Å; H568-L571 WeakPolarHBondContact O-CB 3.45Å; H568-L571 PolarHBondContact O-N 2.62Å |
| 569 | E | 89.9 | Confident | 89.1 | Confident | 11 Ų | 11 | 19.5 Ų | 19.5 | 5% | 0.051 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.7 | -34.4 | -178.7 | -61.7 | -59.2 | 74.5 | 0 | 0 | 113.8 | W366 R370 L523 F524 L565 L566 L571 N572 | W366-E569 WeakPolarHBondContact CH2-OE1 2.86Å; R370-E569 IonicContact CZ-OE1 2.76Å; R370-E569 IonicContact CZ-OE2 3.99Å; R370-E569 IonicContact NE-OE1 2.74Å; R370-E569 PolarHBondContact NE-OE1 3.24Å; R370-E569 IonicContact NH1-OE1 3.24Å; R370-E569 PolarHBondContact NH1-OE1 2.92Å; R370-E569 IonicContact NH1-OE2 2.73Å; R370-E569 PolarHBondContact NH1-OE2 3.34Å; R370-E569 IonicContact NH2-OE1 3.18Å; R370-E569 PolarHBondContact NH2-OE1 3.44Å; R370-E569 IonicContact NH2-OE2 2.65Å; R370-E569 PolarHBondContact NH2-OE2 3.1Å; L523-E569 HydrophobicContact CD2-CG 4.02Å; L523-E569 HydrophobicContact CG-CG 4.4Å; F524-E569 HydrophobicContact CB-CB 3.95Å; F524-E569 HydrophobicContact CB-CG 4.41Å; F524-E569 HydrophobicContact CD2-CB 3.98Å; F524-E569 HydrophobicContact CG-CB 4.4Å; L565-E569 PolarHBondContact O-N 3.38Å; L565-E569 VanDerWaalsContact O-N 3.13Å; L566-E569 HydrophobicContact CD1-CB 4.33Å; L566-E569 PolarHBondContact O-N 3.37Å; L566-E569 VanDerWaalsContact O-N 3.15Å; E569-L571 PolarHBondContact O-N 2.88Å; E569-L571 VanDerWaalsContact O-N 3.11Å; E569-N572 VanDerWaalsContact O-CB 3.25Å; E569-N572 WeakPolarHBondContact O-CB 3.39Å; E569-N572 PolarHBondContact O-N 2.83Å; E569-N572 VanDerWaalsContact O-N 3.1Å |
| 570 | V | 89.9 | Confident | 88.5 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.5 | 176.1 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | F524 L566 S567 H568 F578 F606 I607 T623 | F524-V570 HydrophobicContact CD2-CG1 4.31Å; F524-V570 HydrophobicContact CE2-CB 4.4Å; F524-V570 HydrophobicContact CE2-CG1 3.93Å; L566-V570 WeakPolarHBondContact O-CG1 3.26Å; L566-V570 PolarHBondContact O-N 3.14Å; L566-V570 VanDerWaalsContact O-N 3.08Å; S567-V570 WeakPolarHBondContact O-CG2 3.49Å; H568-V570 VanDerWaalsContact C-N 3.31Å; H568-V570 PolarHBondContact O-N 3.12Å; V570-F578 VanDerWaalsContact O-CD2 3.29Å; V570-F578 WeakPolarHBondContact O-CD2 3.4Å; V570-F578 WeakPolarHBondContact O-CE2 3.3Å; V570-F606 HydrophobicContact CG1-CE1 4.34Å; V570-I607 HydrophobicContact CB-CD1 4.32Å; V570-I607 HydrophobicContact CB-CG1 4.22Å; V570-I607 HydrophobicContact CG1-CG1 3.92Å; V570-T623 HydrophobicContact CG2-CG2 3.89Å |
| 571 | L | 86.8 | Confident | 87.5 | Confident | 18 Ų | 18 | 18.9 Ų | 18.9 | 9% | 0.094 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2.9 | 178.9 | -55.2 | 179.6 | 0 | 0 | 0 | 113.5 | H568 E569 P573 F578 L588 T623 F625 | H568-L571 WeakPolarHBondContact O-CB 3.45Å; H568-L571 PolarHBondContact O-N 2.62Å; E569-L571 PolarHBondContact O-N 2.88Å; E569-L571 VanDerWaalsContact O-N 3.11Å; L571-P573 VanDerWaalsContact O-CD 3.27Å; L571-P573 WeakPolarHBondContact O-CD 3.36Å; L571-F578 HydrophobicContact CD2-CD2 3.84Å; L571-F578 HydrophobicContact CD2-CE2 4.21Å; L571-F578 HydrophobicContact CD2-CG 4.21Å; L571-L588 HydrophobicContact CD1-CD1 3.61Å; L571-L588 HydrophobicContact CD2-CD1 3.83Å; L571-L588 HydrophobicContact CD2-CD2 4.32Å; L571-L588 HydrophobicContact CG-CD1 4.3Å; L571-T623 HydrophobicContact CD1-CG2 4.11Å; L571-T623 HydrophobicContact CD2-CG2 4.22Å; L571-T623 HydrophobicContact CG-CG2 4.19Å; L571-F625 HydrophobicContact CD2-CE1 4.41Å |
| 572 | N | 86.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 18.8 Ų | 18.8 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | trans | -57.9 | 117 | 177.4 | 174 | 1.7 | 0 | 0 | 0 | 110.7 | Y363 W366 E569 M574 Y575 | Y363-N572 VanDerWaalsContact CE2-OD1 3.31Å; Y363-N572 WeakPolarHBondContact CE2-OD1 3.38Å; W366-N572 HydrophobicContact CH2-CB 3.68Å; W366-N572 HydrophobicContact CZ2-CB 3.66Å; W366-N572 HydrophobicContact CZ3-CB 4.28Å; E569-N572 VanDerWaalsContact O-CB 3.25Å; E569-N572 WeakPolarHBondContact O-CB 3.39Å; E569-N572 PolarHBondContact O-N 2.83Å; E569-N572 VanDerWaalsContact O-N 3.1Å; N572-M574 PolarHBondContact O-N 2.89Å; N572-M574 WeakPolarHBondContact OD1-CB 3.47Å; N572-M574 PolarHBondContact OD1-N 2.71Å; N572-M574 VanDerWaalsContact OD1-N 3.07Å; N572-Y575 HydrophobicContact CB-CD2 3.69Å; N572-Y575 HydrophobicContact CB-CE2 3.72Å; N572-Y575 PolarHBondContact O-N 2.82Å; N572-Y575 VanDerWaalsContact O-N 3.16Å | ||
| 573 | P | 84.8 | Confident | 84.4 | Confident | 29 Ų | 29 | 28.8 Ų | 28.8 | 19% | 0.188 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -55.3 | -27.9 | -176.7 | -28.3 | 35.5 | 0 | 0 | 0 | 114.2 | W366 L571 Y575 C576 | W366-P573 HydrophobicContact CB-CG 4.38Å; W366-P573 HydrophobicContact CG-CG 4.34Å; L571-P573 VanDerWaalsContact O-CD 3.27Å; L571-P573 WeakPolarHBondContact O-CD 3.36Å; P573-Y575 VanDerWaalsContact C-N 3.26Å; P573-Y575 PolarHBondContact O-N 2.78Å; P573-C576 WeakPolarHBondContact O-CA 3.44Å; P573-C576 PolarHBondContact O-N 2.73Å |
| 574 | M | 84.8 | Confident | 82.5 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.044 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -69.5 | -19.9 | -175.4 | -66.7 | -74.2 | 160.7 | 0 | 0 | 113.8 | W330 T349 T351 Y363 N572 C576 | W330-M574 HydrophobicContact CH2-CE 4.05Å; W330-M574 HydrophobicContact CH2-SD 3.66Å; W330-M574 HydrophobicContact CZ2-CE 3.91Å; W330-M574 HydrophobicContact CZ2-SD 4.15Å; T349-M574 HydrophobicContact CG2-CB 4.02Å; T349-M574 HydrophobicContact CG2-CG 3.62Å; T349-M574 HydrophobicContact CG2-SD 4.07Å; T351-M574 VanDerWaalsContact CB-O 3.26Å; T351-M574 WeakPolarHBondContact CB-O 3.17Å; T351-M574 HydrophobicContact CG2-SD 3.65Å; T351-M574 PolarHBondContact OG1-O 3.24Å; Y363-M574 VanDerWaalsContact CB-CE 3.49Å; Y363-M574 HydrophobicContact CD1-CE 3.96Å; Y363-M574 HydrophobicContact CD2-CE 4.03Å; Y363-M574 HydrophobicContact CD2-CG 3.54Å; Y363-M574 HydrophobicContact CE2-CG 3.66Å; Y363-M574 HydrophobicContact CG-CE 3.55Å; Y363-M574 HydrophobicContact CG-CG 4.03Å; N572-M574 PolarHBondContact O-N 2.89Å; N572-M574 WeakPolarHBondContact OD1-CB 3.47Å; N572-M574 PolarHBondContact OD1-N 2.71Å; N572-M574 VanDerWaalsContact OD1-N 3.07Å; M574-C576 VanDerWaalsContact C-N 3.26Å |
| 575 | Y | 87.6 | Confident | 81 | Confident | 50 Ų | 50 | 34.5 Ų | 34.5 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -78.6 | -9 | 170.2 | -58 | -47.4 | 0 | 0 | 0 | 113.3 | F524 N572 P573 L577 N597 | F524-Y575 HydrophobicContact CB-CE2 4.31Å; F524-Y575 HydrophobicContact CD1-CD2 4.31Å; F524-Y575 AromaticContact CD1-CE1 3.98Å; F524-Y575 HydrophobicContact CD1-CE1 3.98Å; F524-Y575 AromaticContact CD1-CE2 3.52Å; F524-Y575 HydrophobicContact CD1-CE2 3.52Å; F524-Y575 AromaticContact CD1-CZ 3.33Å; F524-Y575 VanDerWaalsContact CD1-OH 3.32Å; F524-Y575 WeakPolarHBondContact CD1-OH 3.44Å; F524-Y575 HydrophobicContact CD2-CD2 4.47Å; F524-Y575 AromaticContact CD2-CE2 3.85Å; F524-Y575 HydrophobicContact CD2-CE2 3.85Å; F524-Y575 HydrophobicContact CE1-CD1 4.23Å; F524-Y575 AromaticContact CE1-CD2 3.92Å; F524-Y575 HydrophobicContact CE1-CD2 3.92Å; F524-Y575 AromaticContact CE1-CE1 3.93Å; F524-Y575 HydrophobicContact CE1-CE1 3.93Å; F524-Y575 AromaticContact CE1-CE2 3.6Å; F524-Y575 HydrophobicContact CE1-CE2 3.6Å; F524-Y575 HydrophobicContact CE1-CG 4.25Å; F524-Y575 AromaticContact CE1-CZ 3.62Å; F524-Y575 HydrophobicContact CE2-CD2 4.12Å; F524-Y575 AromaticContact CE2-CE2 3.94Å; F524-Y575 HydrophobicContact CE2-CE2 3.94Å; F524-Y575 AromaticContact CG-CE2 3.63Å; F524-Y575 HydrophobicContact CG-CE2 3.63Å; F524-Y575 AromaticContact CG-CZ 3.79Å; F524-Y575 AromaticContact CZ-CD2 3.82Å; F524-Y575 HydrophobicContact CZ-CD2 3.82Å; F524-Y575 AromaticContact CZ-CE2 3.82Å; F524-Y575 HydrophobicContact CZ-CE2 3.82Å; F524-Y575 HydrophobicContact CZ-CG 4.34Å; N572-Y575 HydrophobicContact CB-CD2 3.69Å; N572-Y575 HydrophobicContact CB-CE2 3.72Å; N572-Y575 PolarHBondContact O-N 2.82Å; N572-Y575 VanDerWaalsContact O-N 3.16Å; P573-Y575 VanDerWaalsContact C-N 3.26Å; P573-Y575 PolarHBondContact O-N 2.78Å; Y575-L577 PolarHBondContact O-N 2.92Å; Y575-N597 PolarHBondContact O-ND2 2.89Å |
| 576 | C | 88.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | trans | 59.1 | 21 | 178.9 | -50.4 | 0 | 0 | 0 | 0 | 114.9 | T351 P573 M574 S594 I596 | T351-C576 PolarHBondContact OG1-SG 3.27Å; P573-C576 WeakPolarHBondContact O-CA 3.44Å; P573-C576 PolarHBondContact O-N 2.73Å; M574-C576 VanDerWaalsContact C-N 3.26Å; C576-S594 VanDerWaalsContact O-CA 3.26Å; C576-S594 WeakPolarHBondContact O-CA 3.46Å; C576-S594 WeakPolarHBondContact O-CB 3.37Å; C576-I596 HydrophobicContact CB-CG2 3.74Å | ||
| 577 | L | 90.3 | Very high | 78.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -83.7 | -41.2 | -174 | -55.2 | 177.1 | 0 | 0 | 0 | 113 | F524 Y575 N591 H600 Y603 F604 I607 | F524-L577 HydrophobicContact CZ-CD1 4.49Å; Y575-L577 PolarHBondContact O-N 2.92Å; L577-N591 WeakPolarHBondContact O-CB 3.24Å; L577-N591 PolarHBondContact O-N 3.19Å; L577-H600 HydrophobicContact CD2-CB 3.87Å; L577-Y603 HydrophobicContact CD1-CG 4.3Å; L577-Y603 HydrophobicContact CD2-CD2 4.41Å; L577-F604 HydrophobicContact CB-CE1 4.24Å; L577-F604 HydrophobicContact CB-CZ 3.91Å; L577-F604 HydrophobicContact CD2-CE2 4Å; L577-F604 HydrophobicContact CD2-CZ 4.15Å; L577-F604 WeakPolarHBondContact O-CZ 3.26Å; L577-I607 HydrophobicContact CD1-CD1 3.82Å |
| 578 | F | 88.8 | Confident | 77.6 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 157.3 | -179.2 | -60 | -80.5 | 0 | 0 | 0 | 110.7 | V570 L571 L588 Q589 I590 F604 I607 F625 | V570-F578 VanDerWaalsContact O-CD2 3.29Å; V570-F578 WeakPolarHBondContact O-CD2 3.4Å; V570-F578 WeakPolarHBondContact O-CE2 3.3Å; L571-F578 HydrophobicContact CD2-CD2 3.84Å; L571-F578 HydrophobicContact CD2-CE2 4.21Å; L571-F578 HydrophobicContact CD2-CG 4.21Å; F578-L588 HydrophobicContact CB-CD2 4.14Å; F578-Q589 VanDerWaalsContact CA-O 3.28Å; F578-Q589 WeakPolarHBondContact CA-O 3.49Å; F578-Q589 WeakPolarHBondContact CB-O 3.26Å; F578-Q589 WeakPolarHBondContact CD1-O 3.21Å; F578-I590 HydrophobicContact CE1-CG1 4.23Å; F578-F604 HydrophobicContact CE1-CE1 4.31Å; F578-F604 HydrophobicContact CZ-CE1 4.19Å; F578-I607 HydrophobicContact CE2-CD1 3.81Å; F578-I607 HydrophobicContact CZ-CD1 4.09Å; F578-F625 HydrophobicContact CD1-CE1 4.49Å; F578-F625 HydrophobicContact CE1-CD1 4.43Å; F578-F625 AromaticContact CE1-CE1 3.81Å; F578-F625 HydrophobicContact CE1-CE1 3.81Å; F578-F625 AromaticContact CZ-CE1 3.84Å; F578-F625 HydrophobicContact CZ-CE1 3.84Å; F578-F625 HydrophobicContact CZ-CZ 4.46Å |
| 579 | E | 82.3 | Confident | 77.4 | Confident | 60 Ų | 60 | 36.1 Ų | 36.1 | 28% | 0.28 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 160.1 | 171.2 | 64.8 | -173.6 | -152.5 | 0 | 0 | 109.3 | Q589 N591 P592 | E579-Q589 HydrophobicContact CG-CG 3.62Å; E579-Q589 PolarHBondContact N-O 2.88Å; E579-Q589 PolarHBondContact O-N 3.2Å; E579-Q589 PolarHBondContact OE1-NE2 3.36Å; E579-N591 HydrophobicContact CB-CB 4.18Å; E579-N591 HydrophobicContact CG-CB 4.17Å; E579-N591 VanDerWaalsContact OE2-CG 3.29Å; E579-N591 PolarHBondContact OE2-OD1 3.3Å; E579-P592 WeakPolarHBondContact OE1-CD 3.3Å; E579-P592 WeakPolarHBondContact OE2-CD 3.42Å |
| 580 | Y | 77.8 | Confident | 77.4 | Confident | 48 Ų | 48 | 35.9 Ų | 35.9 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135.8 | 168.8 | -65.6 | -76.1 | 0 | 0 | 0 | 109.3 | G582 N585 C587 L588 | Y580-G582 PolarHBondContact O-N 3.47Å; Y580-N585 VanDerWaalsContact CD1-CA 3.49Å; Y580-N585 HydrophobicContact CD1-CB 4.29Å; Y580-N585 WeakPolarHBondContact CD2-OD1 3.3Å; Y580-N585 HydrophobicContact CE1-CB 3.82Å; Y580-N585 WeakPolarHBondContact CE1-O 3.13Å; Y580-N585 HydrophobicContact CE2-CB 4.4Å; Y580-N585 WeakPolarHBondContact CE2-OD1 3.48Å; Y580-C587 WeakPolarHBondContact CA-O 3.38Å; Y580-L588 HydrophobicContact CD1-CD2 3.77Å; Y580-L588 HydrophobicContact CD1-CG 3.89Å; Y580-L588 HydrophobicContact CE1-CD1 4.18Å; Y580-L588 HydrophobicContact CE1-CD2 3.51Å; Y580-L588 HydrophobicContact CE1-CG 3.61Å; Y580-L588 HydrophobicContact CE2-CD2 4.38Å; Y580-L588 HydrophobicContact CG-CD2 4.35Å |
| 581 | A | 66 | Low | 77.2 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -73.5 | -13.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C587 Q589 I646 | A581-C587 HydrophobicContact CB-CB 4.44Å; A581-C587 PolarHBondContact N-O 2.71Å; A581-Q589 HydrophobicContact CB-CG 4.35Å; A581-I646 HydrophobicContact CB-CB 4.41Å; A581-I646 HydrophobicContact CB-CG1 4.47Å; A581-I646 HydrophobicContact CB-CG2 4.14Å; A581-I646 WeakPolarHBondContact CB-O 3.46Å |
| 582 | G | 62.2 | Low | 77.2 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 49% | 0.485 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -137.5 | -172.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Y580 D584 | Y580-G582 PolarHBondContact O-N 3.47Å; G582-D584 PolarHBondContact O-N 3.33Å |
| 583 | K | 54.5 | Low | 77.1 | Confident | 210 Ų | 210 | 38.7 Ų | 38.7 | 91% | 0.913 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -70.3 | -17.5 | -177.1 | -69.8 | -177.6 | 176.3 | 179.3 | 0 | 114.5 | ||
| 584 | D | 54.9 | Low | 77.3 | Confident | 52 Ų | 52 | 37.3 Ų | 37.3 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -112.6 | 157.6 | -179.5 | -64.9 | -86.1 | 0 | 0 | 0 | 111.2 | G582 Y586 N815 G816 | G582-D584 PolarHBondContact O-N 3.33Å; D584-Y586 PolarHBondContact O-N 2.98Å; D584-N815 VanDerWaalsContact OD2-C 3.26Å; D584-N815 VanDerWaalsContact OD2-CA 3.3Å; D584-N815 WeakPolarHBondContact OD2-CA 3.48Å; D584-G816 VanDerWaalsContact CG-CA 3.47Å; D584-G816 WeakPolarHBondContact OD1-CA 3.4Å; D584-G816 PolarHBondContact OD1-N 2.74Å; D584-G816 PolarHBondContact OD2-N 3.25Å |
| 585 | N | 60.7 | Low | 77.4 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 30.6 | -174.1 | -63.4 | -52.8 | 0 | 0 | 0 | 114.9 | Q369 Y580 | Q369-N585 PolarHBondContact NE2-ND2 3.28Å; Y580-N585 VanDerWaalsContact CD1-CA 3.49Å; Y580-N585 HydrophobicContact CD1-CB 4.29Å; Y580-N585 WeakPolarHBondContact CD2-OD1 3.3Å; Y580-N585 HydrophobicContact CE1-CB 3.82Å; Y580-N585 WeakPolarHBondContact CE1-O 3.13Å; Y580-N585 HydrophobicContact CE2-CB 4.4Å; Y580-N585 WeakPolarHBondContact CE2-OD1 3.48Å |
| 586 | Y | 56.8 | Low | 77.1 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 18% | 0.18 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -34.8 | -161.4 | -174.6 | -115.8 | 0 | 0 | 0 | 115 | D584 T798 M812 T836 N839 | D584-Y586 PolarHBondContact O-N 2.98Å; Y586-T798 PolarHBondContact OH-O 3.4Å; Y586-M812 HydrophobicContact CD2-CB 4.06Å; Y586-M812 WeakPolarHBondContact CE2-O 3.35Å; Y586-T836 PolarHBondContact OH-O 2.87Å; Y586-N839 PolarHBondContact OH-OD1 3.26Å |
| 587 | C | 69.6 | Low | 77 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | trans | -141.4 | 122.6 | -178.6 | -83.9 | 0 | 0 | 0 | 0 | 111.1 | Y580 A581 | Y580-C587 WeakPolarHBondContact CA-O 3.38Å; A581-C587 HydrophobicContact CB-CB 4.44Å; A581-C587 PolarHBondContact N-O 2.71Å | ||
| 588 | L | 79.9 | Confident | 76.9 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139.3 | 177.3 | -73.4 | 151.4 | 0 | 0 | 0 | 111.6 | L571 F578 Y580 S626 | L571-L588 HydrophobicContact CD1-CD1 3.61Å; L571-L588 HydrophobicContact CD2-CD1 3.83Å; L571-L588 HydrophobicContact CD2-CD2 4.32Å; L571-L588 HydrophobicContact CG-CD1 4.3Å; F578-L588 HydrophobicContact CB-CD2 4.14Å; Y580-L588 HydrophobicContact CD1-CD2 3.77Å; Y580-L588 HydrophobicContact CD1-CG 3.89Å; Y580-L588 HydrophobicContact CE1-CD1 4.18Å; Y580-L588 HydrophobicContact CE1-CD2 3.51Å; Y580-L588 HydrophobicContact CE1-CG 3.61Å; Y580-L588 HydrophobicContact CE2-CD2 4.38Å; Y580-L588 HydrophobicContact CG-CD2 4.35Å; L588-S626 WeakPolarHBondContact O-CB 3.43Å; L588-S626 PolarHBondContact O-N 3.36Å; L588-S626 PolarHBondContact O-OG 2.93Å |
| 589 | Q | 83.6 | Confident | 77.1 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 161.2 | 170.9 | 69 | -174.2 | 6.2 | 0 | 0 | 110.9 | F578 E579 A581 N591 | F578-Q589 VanDerWaalsContact CA-O 3.28Å; F578-Q589 WeakPolarHBondContact CA-O 3.49Å; F578-Q589 WeakPolarHBondContact CB-O 3.26Å; F578-Q589 WeakPolarHBondContact CD1-O 3.21Å; E579-Q589 HydrophobicContact CG-CG 3.62Å; E579-Q589 PolarHBondContact N-O 2.88Å; E579-Q589 PolarHBondContact O-N 3.2Å; E579-Q589 PolarHBondContact OE1-NE2 3.36Å; A581-Q589 HydrophobicContact CB-CG 4.35Å; Q589-N591 PolarHBondContact O-N 3.21Å |
| 590 | I | 88.9 | Confident | 77.6 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 131 | 169.7 | -63.6 | 175.6 | 0 | 0 | 0 | 107.9 | F578 P592 F604 F629 V716 Q719 T720 | F578-I590 HydrophobicContact CE1-CG1 4.23Å; I590-P592 WeakPolarHBondContact O-CD 3.35Å; I590-F604 HydrophobicContact CD1-CE1 4.48Å; I590-F604 HydrophobicContact CG1-CE1 4.13Å; I590-F604 HydrophobicContact CG2-CE1 4.04Å; I590-F604 HydrophobicContact CG2-CE2 4.49Å; I590-F604 HydrophobicContact CG2-CZ 3.73Å; I590-F629 HydrophobicContact CD1-CE2 4.07Å; I590-F629 HydrophobicContact CG1-CD2 4.41Å; I590-F629 HydrophobicContact CG1-CE2 4.05Å; I590-V716 HydrophobicContact CB-CB 4.01Å; I590-V716 HydrophobicContact CB-CG1 3.8Å; I590-V716 HydrophobicContact CD1-CB 4.39Å; I590-V716 HydrophobicContact CG2-CB 3.83Å; I590-V716 HydrophobicContact CG2-CG1 3.65Å; I590-V716 WeakPolarHBondContact O-CG1 3.45Å; I590-Q719 HydrophobicContact CD1-CB 4.23Å; I590-Q719 HydrophobicContact CG2-CB 3.74Å; I590-Q719 HydrophobicContact CG2-CG 3.96Å; I590-T720 WeakPolarHBondContact CD1-OG1 3.47Å |
| 591 | N | 87 | Confident | 78.5 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -72.1 | 118.9 | 174.8 | -179.6 | -29.3 | 0 | 0 | 0 | 109.8 | L577 E579 Q589 A593 S594 | L577-N591 WeakPolarHBondContact O-CB 3.24Å; L577-N591 PolarHBondContact O-N 3.19Å; E579-N591 HydrophobicContact CB-CB 4.18Å; E579-N591 HydrophobicContact CG-CB 4.17Å; E579-N591 VanDerWaalsContact OE2-CG 3.29Å; E579-N591 PolarHBondContact OE2-OD1 3.3Å; Q589-N591 PolarHBondContact O-N 3.21Å; N591-A593 PolarHBondContact O-N 2.74Å; N591-A593 VanDerWaalsContact OD1-CA 3.26Å; N591-A593 WeakPolarHBondContact OD1-CA 3.49Å; N591-A593 VanDerWaalsContact OD1-CB 3.3Å; N591-A593 WeakPolarHBondContact OD1-CB 3.16Å; N591-A593 PolarHBondContact OD1-N 2.86Å; N591-S594 WeakPolarHBondContact O-CB 3.16Å; N591-S594 PolarHBondContact O-N 3.02Å; N591-S594 PolarHBondContact O-OG 2.99Å; N591-S594 PolarHBondContact OD1-N 3.46Å | ||
| 592 | P | 85.4 | Confident | 80 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -65.7 | -26.2 | 179 | -20 | 32.9 | 0 | 0 | 0 | 113.4 | E579 I590 S594 Y595 G715 V716 | E579-P592 WeakPolarHBondContact OE1-CD 3.3Å; E579-P592 WeakPolarHBondContact OE2-CD 3.42Å; I590-P592 WeakPolarHBondContact O-CD 3.35Å; P592-S594 VanDerWaalsContact C-N 3.26Å; P592-S594 PolarHBondContact O-N 2.88Å; P592-Y595 WeakPolarHBondContact O-CD1 3.35Å; P592-G715 WeakPolarHBondContact CA-O 3.33Å; P592-V716 HydrophobicContact CB-CG1 4.23Å; P592-V716 HydrophobicContact CG-CG1 3.95Å |
| 593 | A | 84.2 | Confident | 81.7 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -83.5 | 6.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N591 Y595 I596 | N591-A593 PolarHBondContact O-N 2.74Å; N591-A593 VanDerWaalsContact OD1-CA 3.26Å; N591-A593 WeakPolarHBondContact OD1-CA 3.49Å; N591-A593 VanDerWaalsContact OD1-CB 3.3Å; N591-A593 WeakPolarHBondContact OD1-CB 3.16Å; N591-A593 PolarHBondContact OD1-N 2.86Å; A593-Y595 HydrophobicContact CB-CE1 4.36Å; A593-Y595 PolarHBondContact O-N 3.06Å; A593-I596 WeakPolarHBondContact O-CB 3.27Å; A593-I596 VanDerWaalsContact O-CG2 3.25Å; A593-I596 WeakPolarHBondContact O-CG2 3.42Å; A593-I596 PolarHBondContact O-N 3.13Å |
| 594 | S | 89.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -56.3 | -20.1 | 179.9 | 51 | 0 | 0 | 0 | 0 | 114.8 | C576 N591 P592 I596 N597 H600 Q719 | C576-S594 VanDerWaalsContact O-CA 3.26Å; C576-S594 WeakPolarHBondContact O-CA 3.46Å; C576-S594 WeakPolarHBondContact O-CB 3.37Å; N591-S594 WeakPolarHBondContact O-CB 3.16Å; N591-S594 PolarHBondContact O-N 3.02Å; N591-S594 PolarHBondContact O-OG 2.99Å; N591-S594 PolarHBondContact OD1-N 3.46Å; P592-S594 VanDerWaalsContact C-N 3.26Å; P592-S594 PolarHBondContact O-N 2.88Å; S594-I596 PolarHBondContact O-N 3.15Å; S594-N597 PolarHBondContact O-N 3.25Å; S594-H600 VanDerWaalsContact O-CB 3.31Å; S594-H600 WeakPolarHBondContact O-CB 3.01Å; S594-H600 PolarHBondContact OG-ND1 3.16Å; S594-Q719 WeakPolarHBondContact OG-CG 3.25Å; S594-Q719 PolarHBondContact OG-NE2 3.02Å |
| 595 | Y | 86.4 | Confident | 85.7 | Confident | 118 Ų | 118 | 38 Ų | 38 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -56.8 | -17.4 | 171.1 | 65.9 | -101.2 | 0 | 0 | 0 | 114 | P592 A593 N597 | P592-Y595 WeakPolarHBondContact O-CD1 3.35Å; A593-Y595 HydrophobicContact CB-CE1 4.36Å; A593-Y595 PolarHBondContact O-N 3.06Å; Y595-N597 PolarHBondContact O-N 3.5Å |
| 596 | I | 82.2 | Confident | 87.5 | Confident | 66 Ų | 66 | 34.8 Ų | 34.8 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -59.8 | -30.7 | 171.4 | -160.1 | 159.5 | 0 | 0 | 0 | 111.8 | W352 Q353 C576 A593 S594 P598 | W352-I596 WeakPolarHBondContact CB-O 3.42Å; Q353-I596 HydrophobicContact CB-CD1 3.96Å; Q353-I596 HydrophobicContact CB-CG2 4.43Å; Q353-I596 HydrophobicContact CG-CD1 4.08Å; C576-I596 HydrophobicContact CB-CG2 3.74Å; A593-I596 WeakPolarHBondContact O-CB 3.27Å; A593-I596 VanDerWaalsContact O-CG2 3.25Å; A593-I596 WeakPolarHBondContact O-CG2 3.42Å; A593-I596 PolarHBondContact O-N 3.13Å; S594-I596 PolarHBondContact O-N 3.15Å; I596-P598 WeakPolarHBondContact O-CD 3.37Å |
| 597 | N | 86.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.011 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -86.6 | 108.3 | 166.9 | 175.7 | -6.2 | 0 | 0 | 0 | 108.4 | W352 Y575 S594 Y595 D599 H600 | W352-N597 HydrophobicContact CG-CB 4.38Å; Y575-N597 PolarHBondContact O-ND2 2.89Å; S594-N597 PolarHBondContact O-N 3.25Å; Y595-N597 PolarHBondContact O-N 3.5Å; N597-D599 PolarHBondContact O-N 3.03Å; N597-D599 PolarHBondContact OD1-N 3.26Å; N597-D599 VanDerWaalsContact OD1-N 3.15Å; N597-H600 HydrophobicContact CB-CB 4.21Å; N597-H600 VanDerWaalsContact O-CB 3.25Å; N597-H600 WeakPolarHBondContact O-CB 3.41Å; N597-H600 PolarHBondContact O-CD2 3.29Å; N597-H600 PolarHBondContact O-N 3.38Å |
| 598 | P | 87.9 | Confident | 90.6 | Very high | 54 Ų | 54 | 31.7 Ų | 31.7 | 35% | 0.351 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7.4 | -172.4 | 30.5 | -37.3 | 0 | 0 | 0 | 114 | R339 W352 I596 | R339-P598 VanDerWaalsContact NH1-CB 3.29Å; W352-P598 VanDerWaalsContact CD2-CD 3.45Å; W352-P598 HydrophobicContact CD2-CG 4.09Å; W352-P598 HydrophobicContact CE3-CG 4.21Å; W352-P598 HydrophobicContact CH2-CG 4.03Å; W352-P598 HydrophobicContact CZ2-CG 3.86Å; W352-P598 HydrophobicContact CZ3-CG 4.2Å; I596-P598 WeakPolarHBondContact O-CD 3.37Å |
| 599 | D | 91.8 | Very high | 91.5 | Very high | 38 Ų | 38 | 32.1 Ų | 32.1 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 8.3 | 175.7 | -71.4 | -79.1 | 0 | 0 | 0 | 112.1 | R339 N597 L601 K602 Y603 | R339-D599 IonicContact NH1-OD2 3.97Å; N597-D599 PolarHBondContact O-N 3.03Å; N597-D599 PolarHBondContact OD1-N 3.26Å; N597-D599 VanDerWaalsContact OD1-N 3.15Å; D599-L601 PolarHBondContact O-N 2.84Å; D599-K602 HydrophobicContact CB-CD 4.42Å; D599-K602 WeakPolarHBondContact O-CA 3.37Å; D599-K602 WeakPolarHBondContact O-CB 3.38Å; D599-K602 PolarHBondContact O-N 3.14Å; D599-K602 WeakPolarHBondContact OD1-CD 3.49Å; D599-K602 WeakPolarHBondContact OD1-CE 3.27Å; D599-K602 IonicContact OD1-NZ 3.39Å; D599-K602 PolarHBondContact OD1-NZ 2.82Å; D599-Y603 HydrophobicContact CB-CD2 4.24Å; D599-Y603 HydrophobicContact CB-CE2 3.87Å; D599-Y603 WeakPolarHBondContact O-CD2 3.14Å; D599-Y603 PolarHBondContact O-N 3.48Å; D599-Y603 VanDerWaalsContact O-N 3.13Å |
| 600 | H | 94 | Very high | 92.2 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 7% | 0.069 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -51.6 | -45.2 | -176.2 | 73.2 | 130.7 | 0 | 0 | 0 | 113.9 | L577 S594 N597 K602 Y603 F604 | L577-H600 HydrophobicContact CD2-CB 3.87Å; S594-H600 VanDerWaalsContact O-CB 3.31Å; S594-H600 WeakPolarHBondContact O-CB 3.01Å; S594-H600 PolarHBondContact OG-ND1 3.16Å; N597-H600 HydrophobicContact CB-CB 4.21Å; N597-H600 VanDerWaalsContact O-CB 3.25Å; N597-H600 WeakPolarHBondContact O-CB 3.41Å; N597-H600 PolarHBondContact O-CD2 3.29Å; N597-H600 PolarHBondContact O-N 3.38Å; H600-K602 VanDerWaalsContact C-N 3.27Å; H600-K602 PolarHBondContact O-N 3.34Å; H600-Y603 CarbonylContact O-C 3.59Å; H600-Y603 WeakPolarHBondContact O-CA 3.44Å; H600-Y603 WeakPolarHBondContact O-CB 3.2Å; H600-Y603 PolarHBondContact O-N 3Å; H600-F604 HydrophobicContact CB-CD2 4.35Å; H600-F604 HydrophobicContact CB-CE2 4.07Å; H600-F604 AromaticContact ND1-CE2 3.97Å; H600-F604 WeakPolarHBondContact O-CD2 3.29Å; H600-F604 PolarHBondContact O-N 2.95Å |
| 601 | L | 96.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 31% | 0.309 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.9 | -33.9 | 177.6 | -57.6 | -173.8 | 0 | 0 | 0 | 112.7 | D599 F604 K605 E718 Q719 A722 | D599-L601 PolarHBondContact O-N 2.84Å; L601-F604 PolarHBondContact O-N 3.39Å; L601-K605 WeakPolarHBondContact O-CB 3.45Å; L601-K605 PolarHBondContact O-N 3.3Å; L601-E718 HydrophobicContact CD1-CB 4.45Å; L601-E718 HydrophobicContact CD2-CB 3.88Å; L601-Q719 HydrophobicContact CD2-CG 4.27Å; L601-A722 HydrophobicContact CB-CB 4.02Å; L601-A722 HydrophobicContact CD2-CB 4.18Å; L601-A722 WeakPolarHBondContact O-CB 3.2Å |
| 602 | K | 97 | Very high | 92.9 | Very high | 111 Ų | 111 | 29.8 Ų | 29.8 | 48% | 0.483 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -69.2 | -39.2 | 174.4 | -57.6 | 176 | -170.6 | 163.1 | 0 | 110.8 | F528 D599 H600 K605 F606 | F528-K602 HydrophobicContact CE2-CB 4.24Å; F528-K602 HydrophobicContact CZ-CB 4.1Å; D599-K602 HydrophobicContact CB-CD 4.42Å; D599-K602 WeakPolarHBondContact O-CA 3.37Å; D599-K602 WeakPolarHBondContact O-CB 3.38Å; D599-K602 PolarHBondContact O-N 3.14Å; D599-K602 WeakPolarHBondContact OD1-CD 3.49Å; D599-K602 WeakPolarHBondContact OD1-CE 3.27Å; D599-K602 IonicContact OD1-NZ 3.39Å; D599-K602 PolarHBondContact OD1-NZ 2.82Å; H600-K602 VanDerWaalsContact C-N 3.27Å; H600-K602 PolarHBondContact O-N 3.34Å; K602-K605 PolarHBondContact O-N 2.99Å; K602-F606 WeakPolarHBondContact O-CB 3.41Å; K602-F606 PolarHBondContact O-N 3.01Å |
| 603 | Y | 96.9 | Very high | 93.4 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 174.3 | -68 | -59.6 | 0 | 0 | 0 | 112.2 | F524 F528 L577 D599 H600 K605 F606 I607 | F524-Y603 HydrophobicContact CD1-CE1 4.48Å; F524-Y603 AromaticContact CE1-CD1 3.65Å; F524-Y603 HydrophobicContact CE1-CD1 3.65Å; F524-Y603 AromaticContact CE1-CE1 3.43Å; F524-Y603 HydrophobicContact CE1-CE1 3.43Å; F524-Y603 VanDerWaalsContact CE1-CE1 3.43Å; F524-Y603 AromaticContact CZ-CD1 3.64Å; F524-Y603 HydrophobicContact CZ-CD1 3.64Å; F524-Y603 AromaticContact CZ-CE1 3.95Å; F524-Y603 HydrophobicContact CZ-CE1 3.95Å; F524-Y603 HydrophobicContact CZ-CG 4.37Å; F528-Y603 AromaticContact CD1-CE1 3.8Å; F528-Y603 HydrophobicContact CD1-CE1 3.8Å; F528-Y603 AromaticContact CD2-CD1 3.62Å; F528-Y603 HydrophobicContact CD2-CD1 3.62Å; F528-Y603 AromaticContact CD2-CE1 3.73Å; F528-Y603 HydrophobicContact CD2-CE1 3.73Å; F528-Y603 HydrophobicContact CE1-CD1 4.47Å; F528-Y603 AromaticContact CE1-CE1 3.8Å; F528-Y603 HydrophobicContact CE1-CE1 3.8Å; F528-Y603 AromaticContact CE2-CD1 3.56Å; F528-Y603 HydrophobicContact CE2-CD1 3.56Å; F528-Y603 AromaticContact CE2-CE1 3.74Å; F528-Y603 HydrophobicContact CE2-CE1 3.74Å; F528-Y603 HydrophobicContact CE2-CG 4.37Å; F528-Y603 HydrophobicContact CG-CD1 4.12Å; F528-Y603 AromaticContact CG-CE1 3.77Å; F528-Y603 HydrophobicContact CG-CE1 3.77Å; F528-Y603 HydrophobicContact CZ-CD1 4.02Å; F528-Y603 AromaticContact CZ-CE1 3.78Å; F528-Y603 HydrophobicContact CZ-CE1 3.78Å; L577-Y603 HydrophobicContact CD1-CG 4.3Å; L577-Y603 HydrophobicContact CD2-CD2 4.41Å; D599-Y603 HydrophobicContact CB-CD2 4.24Å; D599-Y603 HydrophobicContact CB-CE2 3.87Å; D599-Y603 WeakPolarHBondContact O-CD2 3.14Å; D599-Y603 PolarHBondContact O-N 3.48Å; D599-Y603 VanDerWaalsContact O-N 3.13Å; H600-Y603 CarbonylContact O-C 3.59Å; H600-Y603 WeakPolarHBondContact O-CA 3.44Å; H600-Y603 WeakPolarHBondContact O-CB 3.2Å; H600-Y603 PolarHBondContact O-N 3Å; Y603-K605 PolarHBondContact O-N 3.16Å; Y603-F606 WeakPolarHBondContact O-CB 3.42Å; Y603-F606 PolarHBondContact O-N 2.88Å; Y603-I607 WeakPolarHBondContact O-CD1 3.45Å; Y603-I607 WeakPolarHBondContact O-CG1 3.33Å; Y603-I607 PolarHBondContact O-N 2.75Å |
| 604 | F | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 172 | -73.6 | -65 | 0 | 0 | 0 | 112.2 | L577 F578 I590 H600 L601 I607 G608 Q719 A722 F723 | L577-F604 HydrophobicContact CB-CE1 4.24Å; L577-F604 HydrophobicContact CB-CZ 3.91Å; L577-F604 HydrophobicContact CD2-CE2 4Å; L577-F604 HydrophobicContact CD2-CZ 4.15Å; L577-F604 WeakPolarHBondContact O-CZ 3.26Å; F578-F604 HydrophobicContact CE1-CE1 4.31Å; F578-F604 HydrophobicContact CZ-CE1 4.19Å; I590-F604 HydrophobicContact CD1-CE1 4.48Å; I590-F604 HydrophobicContact CG1-CE1 4.13Å; I590-F604 HydrophobicContact CG2-CE1 4.04Å; I590-F604 HydrophobicContact CG2-CE2 4.49Å; I590-F604 HydrophobicContact CG2-CZ 3.73Å; H600-F604 HydrophobicContact CB-CD2 4.35Å; H600-F604 HydrophobicContact CB-CE2 4.07Å; H600-F604 AromaticContact ND1-CE2 3.97Å; H600-F604 WeakPolarHBondContact O-CD2 3.29Å; H600-F604 PolarHBondContact O-N 2.95Å; L601-F604 PolarHBondContact O-N 3.39Å; F604-I607 HydrophobicContact CD1-CD1 4.49Å; F604-I607 PolarHBondContact O-N 3.11Å; F604-G608 PolarHBondContact O-N 3.3Å; F604-Q719 HydrophobicContact CD1-CB 4.38Å; F604-Q719 HydrophobicContact CD2-CB 3.59Å; F604-Q719 HydrophobicContact CD2-CG 3.71Å; F604-Q719 HydrophobicContact CE1-CB 4.38Å; F604-Q719 HydrophobicContact CE2-CB 3.59Å; F604-Q719 HydrophobicContact CE2-CG 3.38Å; F604-Q719 HydrophobicContact CG-CB 4.03Å; F604-Q719 HydrophobicContact CZ-CB 4Å; F604-Q719 HydrophobicContact CZ-CG 4.03Å; F604-A722 HydrophobicContact CB-CB 4.2Å; F604-F723 HydrophobicContact CB-CB 4.36Å; F604-F723 WeakPolarHBondContact O-CA 3.43Å |
| 605 | K | 97.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 26.2 Ų | 26.2 | 17% | 0.17 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 174.6 | -169 | 156.9 | -172 | 164.5 | 0 | 112.9 | M532 L601 K602 Y603 G608 R609 A722 E725 G726 E729 | M532-K605 HydrophobicContact CE-CB 4.2Å; M532-K605 HydrophobicContact CE-CG 4.17Å; L601-K605 WeakPolarHBondContact O-CB 3.45Å; L601-K605 PolarHBondContact O-N 3.3Å; K602-K605 PolarHBondContact O-N 2.99Å; Y603-K605 PolarHBondContact O-N 3.16Å; K605-G608 PolarHBondContact O-N 3.19Å; K605-R609 PolarHBondContact O-N 2.92Å; K605-A722 VanDerWaalsContact CA-O 3.26Å; K605-A722 WeakPolarHBondContact CA-O 3.42Å; K605-A722 WeakPolarHBondContact CB-O 3.49Å; K605-E725 HydrophobicContact CD-CB 4.21Å; K605-E725 IonicContact NZ-OE2 2.76Å; K605-E725 PolarHBondContact NZ-OE2 2.82Å; K605-G726 WeakPolarHBondContact O-CA 3.46Å; K605-E729 VanDerWaalsContact CE-CD 3.44Å; K605-E729 WeakPolarHBondContact CE-OE1 3.43Å; K605-E729 WeakPolarHBondContact CE-OE2 3.4Å; K605-E729 IonicContact NZ-OE1 3.87Å; K605-E729 PolarHBondContact NZ-OE1 3.37Å |
| 606 | F | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 169.9 | 160.4 | -108.1 | 0 | 0 | 0 | 112.4 | F524 F528 I531 M532 L566 V570 K602 Y603 G608 R609 F610 | F524-F606 HydrophobicContact CD2-CE1 4.24Å; F524-F606 HydrophobicContact CE2-CD1 4.46Å; F524-F606 AromaticContact CE2-CE1 3.85Å; F524-F606 HydrophobicContact CE2-CE1 3.85Å; F524-F606 HydrophobicContact CZ-CE1 4.3Å; F528-F606 VanDerWaalsContact CA-CE2 3.42Å; F528-F606 HydrophobicContact CB-CD2 4.36Å; F528-F606 HydrophobicContact CB-CE1 4.43Å; F528-F606 HydrophobicContact CB-CE2 4.22Å; F528-F606 HydrophobicContact CB-CZ 4.25Å; F528-F606 HydrophobicContact CD2-CB 3.65Å; F528-F606 HydrophobicContact CD2-CD1 4.02Å; F528-F606 HydrophobicContact CD2-CD2 4.08Å; F528-F606 AromaticContact CD2-CG 3.67Å; F528-F606 HydrophobicContact CD2-CG 3.67Å; F528-F606 HydrophobicContact CE2-CB 3.98Å; F528-F606 HydrophobicContact CE2-CG 4.48Å; I531-F606 HydrophobicContact CB-CD2 3.97Å; I531-F606 HydrophobicContact CB-CE2 3.98Å; I531-F606 HydrophobicContact CD1-CD2 4.33Å; I531-F606 HydrophobicContact CD1-CE2 3.68Å; I531-F606 HydrophobicContact CG1-CE2 4.22Å; I531-F606 HydrophobicContact CG2-CD2 4.11Å; I531-F606 HydrophobicContact CG2-CE2 4.44Å; M532-F606 HydrophobicContact CG-CB 4.02Å; M532-F606 HydrophobicContact CG-CD2 4.43Å; M532-F606 HydrophobicContact SD-CB 3.77Å; L566-F606 HydrophobicContact CD1-CZ 4.16Å; L566-F606 HydrophobicContact CD2-CZ 4.08Å; V570-F606 HydrophobicContact CG1-CE1 4.34Å; K602-F606 WeakPolarHBondContact O-CB 3.41Å; K602-F606 PolarHBondContact O-N 3.01Å; Y603-F606 WeakPolarHBondContact O-CB 3.42Å; Y603-F606 PolarHBondContact O-N 2.88Å; F606-G608 VanDerWaalsContact C-N 3.32Å; F606-G608 PolarHBondContact O-N 3.41Å; F606-R609 PolarHBondContact O-N 3.07Å; F606-F610 WeakPolarHBondContact O-CB 3.34Å; F606-F610 PolarHBondContact O-N 2.86Å |
| 607 | I | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.9 | -66.8 | 158.8 | 0 | 0 | 0 | 109.9 | V570 L577 F578 Y603 F604 R609 F610 I611 F723 | V570-I607 HydrophobicContact CB-CD1 4.32Å; V570-I607 HydrophobicContact CB-CG1 4.22Å; V570-I607 HydrophobicContact CG1-CG1 3.92Å; L577-I607 HydrophobicContact CD1-CD1 3.82Å; F578-I607 HydrophobicContact CE2-CD1 3.81Å; F578-I607 HydrophobicContact CZ-CD1 4.09Å; Y603-I607 WeakPolarHBondContact O-CD1 3.45Å; Y603-I607 WeakPolarHBondContact O-CG1 3.33Å; Y603-I607 PolarHBondContact O-N 2.75Å; F604-I607 HydrophobicContact CD1-CD1 4.49Å; F604-I607 PolarHBondContact O-N 3.11Å; I607-R609 PolarHBondContact O-N 3.37Å; I607-F610 WeakPolarHBondContact O-CB 3.43Å; I607-F610 PolarHBondContact O-N 3.4Å; I607-F610 VanDerWaalsContact O-N 3.13Å; I607-I611 HydrophobicContact CG2-CG1 4.01Å; I607-I611 VanDerWaalsContact O-CG1 3.29Å; I607-I611 WeakPolarHBondContact O-CG1 3.43Å; I607-I611 PolarHBondContact O-N 3.13Å; I607-F723 HydrophobicContact CG2-CD2 4.09Å; I607-F723 HydrophobicContact CG2-CE2 4.03Å |
| 608 | G | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -53.1 | -51.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F604 K605 F606 F610 A612 F723 F727 | F604-G608 PolarHBondContact O-N 3.3Å; K605-G608 PolarHBondContact O-N 3.19Å; F606-G608 VanDerWaalsContact C-N 3.32Å; F606-G608 PolarHBondContact O-N 3.41Å; G608-F610 PolarHBondContact O-N 3.24Å; G608-A612 VanDerWaalsContact O-CB 3.31Å; G608-A612 WeakPolarHBondContact O-CB 3.36Å; G608-A612 PolarHBondContact O-N 2.9Å; G608-F723 WeakPolarHBondContact CA-O 3.14Å; G608-F727 WeakPolarHBondContact O-CA 3.34Å |
| 609 | R | 97.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 18.7 Ų | 18.7 | 7% | 0.072 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 174.4 | -71.4 | -176.3 | 173.8 | -165.9 | 5.2 | 111.8 | I531 F534 L539 K605 F606 I607 A612 M613 G726 E729 V730 | I531-R609 HydrophobicContact CG2-CB 3.8Å; I531-R609 PolarHBondContact O-NH1 2.84Å; F534-R609 PolarHBondContact O-NH1 3.06Å; L539-R609 HydrophobicContact CD1-CB 4.34Å; L539-R609 HydrophobicContact CD1-CG 4.35Å; K605-R609 PolarHBondContact O-N 2.92Å; F606-R609 PolarHBondContact O-N 3.07Å; I607-R609 PolarHBondContact O-N 3.37Å; R609-A612 PolarHBondContact O-N 3.5Å; R609-M613 WeakPolarHBondContact O-CB 3.1Å; R609-M613 WeakPolarHBondContact O-CG 3.16Å; R609-M613 PolarHBondContact O-N 2.87Å; R609-G726 WeakPolarHBondContact CA-O 3.28Å; R609-G726 WeakPolarHBondContact CG-O 3.4Å; R609-G726 PolarHBondContact N-O 3.41Å; R609-E729 IonicContact CZ-OE2 2.73Å; R609-E729 VanDerWaalsContact CZ-OE2 3.22Å; R609-E729 IonicContact NE-OE2 3.95Å; R609-E729 PolarHBondContact NE-OE2 2.79Å; R609-E729 IonicContact NH2-OE2 3.4Å; R609-E729 PolarHBondContact NH2-OE2 3.27Å; R609-V730 HydrophobicContact CB-CG2 4.11Å; R609-V730 HydrophobicContact CG-CG2 3.99Å |
| 610 | F | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -47.1 | -179.3 | 168.3 | -107.8 | 0 | 0 | 0 | 113.1 | W562 F563 L566 F606 I607 G608 M613 A614 I621 | W562-F610 HydrophobicContact CH2-CD2 4.22Å; W562-F610 HydrophobicContact CH2-CE2 4.46Å; W562-F610 HydrophobicContact CZ3-CD2 4.43Å; W562-F610 HydrophobicContact CZ3-CE2 4.35Å; F563-F610 HydrophobicContact CD1-CD2 4.01Å; F563-F610 AromaticContact CD1-CE2 3.32Å; F563-F610 HydrophobicContact CD1-CE2 3.32Å; F563-F610 AromaticContact CD1-CZ 3.86Å; F563-F610 HydrophobicContact CD1-CZ 3.86Å; F563-F610 AromaticContact CE1-CD2 3.92Å; F563-F610 HydrophobicContact CE1-CD2 3.92Å; F563-F610 AromaticContact CE1-CE2 3.72Å; F563-F610 HydrophobicContact CE1-CE2 3.72Å; F563-F610 HydrophobicContact CG-CE2 4.24Å; L566-F610 HydrophobicContact CB-CE2 3.97Å; L566-F610 HydrophobicContact CB-CZ 4.08Å; L566-F610 HydrophobicContact CD2-CD2 3.61Å; L566-F610 HydrophobicContact CD2-CE2 3.55Å; L566-F610 HydrophobicContact CD2-CG 4.41Å; L566-F610 HydrophobicContact CD2-CZ 4.31Å; L566-F610 HydrophobicContact CG-CD2 4.18Å; L566-F610 HydrophobicContact CG-CE2 3.79Å; L566-F610 HydrophobicContact CG-CZ 4.04Å; F606-F610 WeakPolarHBondContact O-CB 3.34Å; F606-F610 PolarHBondContact O-N 2.86Å; I607-F610 WeakPolarHBondContact O-CB 3.43Å; I607-F610 PolarHBondContact O-N 3.4Å; I607-F610 VanDerWaalsContact O-N 3.13Å; G608-F610 PolarHBondContact O-N 3.24Å; F610-M613 WeakPolarHBondContact O-CB 3.46Å; F610-M613 PolarHBondContact O-N 3.37Å; F610-A614 PolarHBondContact O-N 3.19Å; F610-I621 HydrophobicContact CE1-CG2 4.07Å; F610-I621 HydrophobicContact CZ-CG2 3.78Å |
| 611 | I | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 177.5 | -58.4 | -59.2 | 0 | 0 | 0 | 110.6 | I607 A614 L615 I621 F625 F723 F727 L748 | I607-I611 HydrophobicContact CG2-CG1 4.01Å; I607-I611 VanDerWaalsContact O-CG1 3.29Å; I607-I611 WeakPolarHBondContact O-CG1 3.43Å; I607-I611 PolarHBondContact O-N 3.13Å; I611-A614 WeakPolarHBondContact O-CB 3.29Å; I611-A614 PolarHBondContact O-N 2.78Å; I611-L615 PolarHBondContact O-N 3.41Å; I611-L615 VanDerWaalsContact O-N 3.12Å; I611-I621 HydrophobicContact CD1-CD1 3.29Å; I611-F625 HydrophobicContact CD1-CE2 3.84Å; I611-F625 HydrophobicContact CD1-CZ 4.25Å; I611-F625 HydrophobicContact CG1-CE2 4.48Å; I611-F723 HydrophobicContact CB-CE2 4.34Å; I611-F723 HydrophobicContact CB-CZ 4.33Å; I611-F723 HydrophobicContact CG1-CE2 4.01Å; I611-F723 HydrophobicContact CG1-CZ 4.42Å; I611-F723 HydrophobicContact CG2-CZ 4.46Å; I611-F727 HydrophobicContact CB-CD2 4.49Å; I611-F727 HydrophobicContact CG2-CD2 4.47Å; I611-F727 HydrophobicContact CG2-CE2 4.08Å; I611-L748 HydrophobicContact CG2-CD1 3.99Å; I611-L748 HydrophobicContact CG2-CD2 3.77Å |
| 612 | A | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G608 R609 F616 F727 V730 L731 | G608-A612 VanDerWaalsContact O-CB 3.31Å; G608-A612 WeakPolarHBondContact O-CB 3.36Å; G608-A612 PolarHBondContact O-N 2.9Å; R609-A612 PolarHBondContact O-N 3.5Å; A612-F616 VanDerWaalsContact O-CB 3.24Å; A612-F616 WeakPolarHBondContact O-CB 3.41Å; A612-F616 PolarHBondContact O-N 3.18Å; A612-F727 HydrophobicContact CB-CD2 3.81Å; A612-F727 HydrophobicContact CB-CE2 3.99Å; A612-F727 HydrophobicContact CB-CG 4.09Å; A612-F727 HydrophobicContact CB-CZ 4.41Å; A612-F727 WeakPolarHBondContact CB-O 3.41Å; A612-V730 HydrophobicContact CB-CB 3.71Å; A612-V730 HydrophobicContact CB-CG1 3.89Å; A612-L731 HydrophobicContact CB-CB 3.79Å |
| 613 | M | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 173.4 | -74 | 167.2 | 62.6 | 0 | 0 | 112.2 | I516 I531 L539 L543 W562 F563 R609 F610 F616 H617 V730 | I516-M613 HydrophobicContact CD1-CE 4.25Å; I531-M613 HydrophobicContact CD1-CE 4.06Å; I531-M613 HydrophobicContact CD1-SD 3.94Å; I531-M613 HydrophobicContact CG1-CE 4.43Å; I531-M613 HydrophobicContact CG1-SD 4.33Å; I531-M613 HydrophobicContact CG2-SD 4.08Å; L539-M613 HydrophobicContact CB-CG 4.11Å; L539-M613 HydrophobicContact CB-SD 4.08Å; L539-M613 HydrophobicContact CD1-SD 4.01Å; L539-M613 HydrophobicContact CD2-CE 4.28Å; L539-M613 HydrophobicContact CD2-SD 3.91Å; L539-M613 HydrophobicContact CG-SD 4.22Å; L543-M613 HydrophobicContact CD1-CE 3.74Å; L543-M613 HydrophobicContact CD2-CE 3.89Å; L543-M613 HydrophobicContact CG-CE 4.5Å; W562-M613 HydrophobicContact CH2-CE 4.02Å; W562-M613 HydrophobicContact CZ3-CE 4.31Å; F563-M613 HydrophobicContact CE1-CB 4.2Å; F563-M613 HydrophobicContact CZ-CB 3.97Å; R609-M613 WeakPolarHBondContact O-CB 3.1Å; R609-M613 WeakPolarHBondContact O-CG 3.16Å; R609-M613 PolarHBondContact O-N 2.87Å; F610-M613 WeakPolarHBondContact O-CB 3.46Å; F610-M613 PolarHBondContact O-N 3.37Å; M613-F616 PolarHBondContact O-N 3.37Å; M613-H617 WeakPolarHBondContact O-CB 3.23Å; M613-H617 PolarHBondContact O-CD2 2.87Å; M613-H617 VanDerWaalsContact O-CD2 3.27Å; M613-H617 PolarHBondContact O-N 3.02Å; M613-V730 HydrophobicContact CG-CG1 4.04Å |
| 614 | A | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.008 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F563 F610 I611 G618 K619 I621 L748 | F563-A614 HydrophobicContact CD1-CB 3.78Å; F563-A614 VanDerWaalsContact CE1-CA 3.42Å; F563-A614 HydrophobicContact CE1-CB 3.57Å; F563-A614 HydrophobicContact CZ-CB 4.43Å; F610-A614 PolarHBondContact O-N 3.19Å; I611-A614 WeakPolarHBondContact O-CB 3.29Å; I611-A614 PolarHBondContact O-N 2.78Å; A614-G618 PolarHBondContact O-N 2.9Å; A614-G618 VanDerWaalsContact O-N 3.16Å; A614-K619 CarbonylContact C-O 3.04Å; A614-K619 WeakPolarHBondContact CB-O 3.4Å; A614-K619 PolarHBondContact O-N 2.71Å; A614-I621 HydrophobicContact CB-CG2 3.93Å; A614-L748 HydrophobicContact CB-CD2 4.31Å |
| 615 | L | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.7 | -52.1 | 173.9 | -74.3 | 169 | 0 | 0 | 0 | 111.7 | F501 R502 I611 H617 G618 F727 L731 L736 L744 M747 L748 | F501-L615 HydrophobicContact CZ-CB 4.06Å; R502-L615 VanDerWaalsContact CZ-O 3.25Å; R502-L615 PolarHBondContact NH1-O 3.41Å; R502-L615 PolarHBondContact NH2-O 3.31Å; I611-L615 PolarHBondContact O-N 3.41Å; I611-L615 VanDerWaalsContact O-N 3.12Å; L615-H617 PolarHBondContact O-N 3.31Å; L615-G618 PolarHBondContact O-N 3.06Å; L615-F727 HydrophobicContact CD1-CE2 3.83Å; L615-F727 HydrophobicContact CD1-CZ 3.64Å; L615-L731 HydrophobicContact CB-CD2 3.69Å; L615-L731 HydrophobicContact CD1-CD2 3.92Å; L615-L731 HydrophobicContact CG-CD2 4.46Å; L615-L736 HydrophobicContact CD1-CD1 4.15Å; L615-L744 HydrophobicContact CD1-CD1 4.09Å; L615-L744 HydrophobicContact CD2-CD1 4.07Å; L615-M747 HydrophobicContact CD2-CB 3.8Å; L615-M747 HydrophobicContact CD2-CE 4.16Å; L615-L748 HydrophobicContact CD1-CD2 4.24Å; L615-L748 HydrophobicContact CD2-CD2 3.79Å; L615-L748 HydrophobicContact CD2-CG 3.88Å; L615-L748 HydrophobicContact CG-CD2 3.6Å; L615-L748 HydrophobicContact CG-CG 4.17Å |
| 616 | F | 94.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 8.3 Ų | 8.3 | 4% | 0.044 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.9 | -51.2 | -176 | -169.2 | -83.7 | 0 | 0 | 0 | 112.2 | R502 C505 L508 R540 A612 M613 G618 L731 | R502-F616 PolarHBondContact NH1-O 3.13Å; C505-F616 HydrophobicContact CB-CD2 4.21Å; C505-F616 HydrophobicContact CB-CE2 4.2Å; C505-F616 HydrophobicContact CB-CG 4.47Å; C505-F616 HydrophobicContact CB-CZ 4.46Å; C505-F616 WeakPolarHBondContact O-CZ 3.47Å; L508-F616 HydrophobicContact CB-CE2 3.89Å; L508-F616 HydrophobicContact CB-CZ 4.18Å; R540-F616 HydrophobicContact CB-CE1 3.84Å; R540-F616 HydrophobicContact CB-CE2 4.23Å; R540-F616 HydrophobicContact CB-CZ 3.62Å; R540-F616 HydrophobicContact CG-CD2 4.42Å; R540-F616 HydrophobicContact CG-CE1 4.29Å; R540-F616 HydrophobicContact CG-CE2 3.9Å; R540-F616 HydrophobicContact CG-CZ 3.84Å; A612-F616 VanDerWaalsContact O-CB 3.24Å; A612-F616 WeakPolarHBondContact O-CB 3.41Å; A612-F616 PolarHBondContact O-N 3.18Å; M613-F616 PolarHBondContact O-N 3.37Å; F616-G618 VanDerWaalsContact C-N 3.3Å; F616-G618 PolarHBondContact O-N 3.43Å; F616-L731 HydrophobicContact CD2-CD1 4.43Å |
| 617 | H | 91.6 | Very high | 89.9 | Confident | 43 Ų | 43 | 9.7 Ų | 9.7 | 20% | 0.199 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -83 | 1 | -175.6 | -69 | -69.5 | 0 | 0 | 0 | 114.7 | L539 R541 M613 L615 K619 | L539-H617 PolarHBondContact O-NE2 3.29Å; R541-H617 PolarHBondContact O-CE1 3.29Å; M613-H617 WeakPolarHBondContact O-CB 3.23Å; M613-H617 PolarHBondContact O-CD2 2.87Å; M613-H617 VanDerWaalsContact O-CD2 3.27Å; M613-H617 PolarHBondContact O-N 3.02Å; L615-H617 PolarHBondContact O-N 3.31Å; H617-K619 HydrophobicContact CB-CG 4.07Å |
| 618 | G | 90.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 9.7 Ų | 9.7 | 7% | 0.072 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 43.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A614 L615 F616 | A614-G618 PolarHBondContact O-N 2.9Å; A614-G618 VanDerWaalsContact O-N 3.16Å; L615-G618 PolarHBondContact O-N 3.06Å; F616-G618 VanDerWaalsContact C-N 3.3Å; F616-G618 PolarHBondContact O-N 3.43Å |
| 619 | K | 90.7 | Very high | 88.8 | Confident | 22 Ų | 22 | 10.2 Ų | 10.2 | 10% | 0.096 | 5% | 0.053 | C | C | . | . | trans | -115.4 | 129.7 | 178.9 | -58.7 | -65.1 | -176.8 | 177.3 | 0 | 108.5 | G556 R560 F563 A614 H617 | G556-K619 PolarHBondContact O-NZ 2.7Å; R560-K619 HydrophobicContact CG-CD 4.06Å; F563-K619 HydrophobicContact CB-CB 4.29Å; F563-K619 HydrophobicContact CD1-CB 4.35Å; F563-K619 HydrophobicContact CD2-CB 3.39Å; F563-K619 HydrophobicContact CD2-CD 4.42Å; F563-K619 HydrophobicContact CD2-CG 3.55Å; F563-K619 HydrophobicContact CE2-CB 3.69Å; F563-K619 HydrophobicContact CE2-CG 3.55Å; F563-K619 HydrophobicContact CG-CB 3.76Å; F563-K619 HydrophobicContact CG-CG 4.42Å; F563-K619 HydrophobicContact CZ-CB 4.28Å; F563-K619 HydrophobicContact CZ-CG 4.41Å; A614-K619 CarbonylContact C-O 3.04Å; A614-K619 WeakPolarHBondContact CB-O 3.4Å; A614-K619 PolarHBondContact O-N 2.71Å; H617-K619 HydrophobicContact CB-CG 4.07Å | ||
| 620 | F | 92.3 | Very high | 88.3 | Confident | 28 Ų | 28 | 9.4 Ų | 9.4 | 12% | 0.123 | 5% | 0.05 | C | C | . | . | trans | -76.1 | 164 | 174.7 | -52.7 | -51 | 0 | 0 | 0 | 111.1 | F380 R383 I385 F563 L748 G750 | F380-F620 HydrophobicContact CE2-CB 3.95Å; F380-F620 HydrophobicContact CZ-CB 3.71Å; F380-F620 WeakPolarHBondContact CZ-O 3.44Å; R383-F620 HydrophobicContact CB-CD2 4.04Å; R383-F620 HydrophobicContact CB-CE2 4.23Å; R383-F620 WeakPolarHBondContact O-CE2 3.48Å; I385-F620 HydrophobicContact CB-CE1 4.18Å; I385-F620 HydrophobicContact CB-CZ 3.93Å; I385-F620 HydrophobicContact CG2-CE1 4.02Å; I385-F620 HydrophobicContact CG2-CZ 3.76Å; F563-F620 WeakPolarHBondContact CB-O 3.44Å; F620-L748 CarbonylContact C-O 3.57Å; F620-L748 WeakPolarHBondContact CA-O 3.38Å; F620-L748 WeakPolarHBondContact CB-O 3.3Å; F620-G750 VanDerWaalsContact CD1-CA 3.43Å; F620-G750 VanDerWaalsContact CE1-CA 3.43Å | ||
| 621 | I | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -136.2 | 166.6 | 172.7 | 56.2 | 174.5 | 0 | 0 | 0 | 108.5 | F563 F610 I611 A614 T623 L748 C749 | F563-I621 HydrophobicContact CB-CG2 4.26Å; F563-I621 HydrophobicContact CD1-CG2 4.01Å; F610-I621 HydrophobicContact CE1-CG2 4.07Å; F610-I621 HydrophobicContact CZ-CG2 3.78Å; I611-I621 HydrophobicContact CD1-CD1 3.29Å; A614-I621 HydrophobicContact CB-CG2 3.93Å; I621-T623 VanDerWaalsContact CD1-OG1 3.23Å; I621-T623 WeakPolarHBondContact CD1-OG1 3.39Å; I621-L748 HydrophobicContact CD1-CB 4.25Å; I621-L748 HydrophobicContact CD1-CD2 3.81Å; I621-L748 HydrophobicContact CD1-CG 4.48Å; I621-L748 HydrophobicContact CG1-CB 4.11Å; I621-L748 HydrophobicContact CG1-CD2 4.24Å; I621-L748 WeakPolarHBondContact CG1-O 3.26Å; I621-L748 PolarHBondContact N-O 3.49Å; I621-C749 WeakPolarHBondContact O-CA 3.33Å | ||
| 622 | D | 85.6 | Confident | 87.3 | Confident | 17 Ų | 17 | 12.8 Ų | 12.8 | 9% | 0.091 | 6% | 0.063 | C | C | . | . | trans | -120.7 | 25.9 | -179.3 | -142.4 | -0.3 | 0 | 0 | 0 | 114.5 | F380 R383 F564 S567 G624 R802 | F380-D622 HydrophobicContact CD2-CB 4.34Å; F380-D622 HydrophobicContact CE2-CB 4.24Å; R383-D622 IonicContact CZ-OD1 3.65Å; R383-D622 IonicContact CZ-OD2 2.8Å; R383-D622 IonicContact NH1-OD1 3.53Å; R383-D622 PolarHBondContact NH1-OD1 3.1Å; R383-D622 IonicContact NH1-OD2 3.42Å; R383-D622 IonicContact NH2-OD1 3.59Å; R383-D622 PolarHBondContact NH2-OD1 3.17Å; R383-D622 IonicContact NH2-OD2 2.65Å; R383-D622 PolarHBondContact NH2-OD2 2.88Å; F564-D622 HydrophobicContact CD2-CB 4.22Å; F564-D622 HydrophobicContact CE2-CB 4.21Å; S567-D622 PolarHBondContact OG-N 3.21Å; D622-G624 PolarHBondContact O-N 2.97Å; D622-R802 PolarHBondContact O-NH1 2.69Å; D622-R802 WeakPolarHBondContact OD1-CD 3.35Å; D622-R802 IonicContact OD1-CZ 3.1Å; D622-R802 IonicContact OD1-NH1 2.82Å; D622-R802 PolarHBondContact OD1-NH1 3.06Å | ||
| 623 | T | 75.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -70.1 | 120.7 | 171.7 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | S567 V570 L571 I621 F625 | S567-T623 WeakPolarHBondContact O-CG2 3.2Å; V570-T623 HydrophobicContact CG2-CG2 3.89Å; L571-T623 HydrophobicContact CD1-CG2 4.11Å; L571-T623 HydrophobicContact CD2-CG2 4.22Å; L571-T623 HydrophobicContact CG-CG2 4.19Å; I621-T623 VanDerWaalsContact CD1-OG1 3.23Å; I621-T623 WeakPolarHBondContact CD1-OG1 3.39Å; T623-F625 VanDerWaalsContact C-N 3.28Å; T623-F625 VanDerWaalsContact CB-CE2 3.43Å; T623-F625 HydrophobicContact CG2-CE1 4.26Å; T623-F625 HydrophobicContact CG2-CE2 3.87Å; T623-F625 HydrophobicContact CG2-CZ 3.64Å; T623-F625 PolarHBondContact O-N 3.16Å; T623-F625 VanDerWaalsContact O-N 3.07Å; T623-F625 WeakPolarHBondContact OG1-CD2 3.36Å; T623-F625 WeakPolarHBondContact OG1-CE2 3.5Å | ||
| 624 | G | 71.5 | Confident | 86.3 | Confident | 12 Ų | 12 | 13.3 Ų | 13.3 | 12% | 0.124 | 7% | 0.066 | C | C | . | . | trans | -81.8 | 59.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D622 | D622-G624 PolarHBondContact O-N 2.97Š| ||
| 625 | F | 81.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 19.6 Ų | 19.6 | 4% | 0.039 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 144.4 | 174.9 | -58.9 | -57.1 | 0 | 0 | 0 | 110.8 | L571 F578 I611 T623 F629 Y630 | L571-F625 HydrophobicContact CD2-CE1 4.41Å; F578-F625 HydrophobicContact CD1-CE1 4.49Å; F578-F625 HydrophobicContact CE1-CD1 4.43Å; F578-F625 AromaticContact CE1-CE1 3.81Å; F578-F625 HydrophobicContact CE1-CE1 3.81Å; F578-F625 AromaticContact CZ-CE1 3.84Å; F578-F625 HydrophobicContact CZ-CE1 3.84Å; F578-F625 HydrophobicContact CZ-CZ 4.46Å; I611-F625 HydrophobicContact CD1-CE2 3.84Å; I611-F625 HydrophobicContact CD1-CZ 4.25Å; I611-F625 HydrophobicContact CG1-CE2 4.48Å; T623-F625 VanDerWaalsContact C-N 3.28Å; T623-F625 VanDerWaalsContact CB-CE2 3.43Å; T623-F625 HydrophobicContact CG2-CE1 4.26Å; T623-F625 HydrophobicContact CG2-CE2 3.87Å; T623-F625 HydrophobicContact CG2-CZ 3.64Å; T623-F625 PolarHBondContact O-N 3.16Å; T623-F625 VanDerWaalsContact O-N 3.07Å; T623-F625 WeakPolarHBondContact OG1-CD2 3.36Å; T623-F625 WeakPolarHBondContact OG1-CE2 3.5Å; F625-F629 HydrophobicContact CB-CB 4.18Å; F625-F629 HydrophobicContact CB-CD1 3.53Å; F625-F629 HydrophobicContact CB-CE1 4.21Å; F625-F629 HydrophobicContact CB-CG 4.13Å; F625-F629 AromaticContact CD1-CD1 3.84Å; F625-F629 HydrophobicContact CD1-CD1 3.84Å; F625-F629 AromaticContact CD1-CE1 3.74Å; F625-F629 HydrophobicContact CD1-CE1 3.74Å; F625-F629 HydrophobicContact CD1-CG 4.41Å; F625-F629 HydrophobicContact CD1-CZ 4.27Å; F625-F629 AromaticContact CD2-CD1 3.85Å; F625-F629 HydrophobicContact CD2-CD1 3.85Å; F625-F629 AromaticContact CD2-CE1 3.68Å; F625-F629 HydrophobicContact CD2-CE1 3.68Å; F625-F629 AromaticContact CE1-CE1 3.95Å; F625-F629 HydrophobicContact CE1-CE1 3.95Å; F625-F629 HydrophobicContact CE1-CZ 4.21Å; F625-F629 AromaticContact CE2-CE1 3.88Å; F625-F629 HydrophobicContact CE2-CE1 3.88Å; F625-F629 AromaticContact CG-CD1 3.48Å; F625-F629 HydrophobicContact CG-CD1 3.48Å; F625-F629 VanDerWaalsContact CG-CD1 3.48Å; F625-F629 AromaticContact CG-CE1 3.61Å; F625-F629 HydrophobicContact CG-CE1 3.61Å; F625-F629 HydrophobicContact CG-CG 4.31Å; F625-F629 HydrophobicContact CZ-CE1 4.01Å; F625-F629 HydrophobicContact CZ-CZ 4.42Å; F625-Y630 HydrophobicContact CB-CE1 4.19Å; F625-Y630 HydrophobicContact CB-CE2 4.04Å; F625-Y630 HydrophobicContact CD2-CE1 4.14Å; F625-Y630 WeakPolarHBondContact O-CE2 3.35Å |
| 626 | S | 78.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | trans | -71.7 | 150.8 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | L588 P628 F629 Y630 | L588-S626 WeakPolarHBondContact O-CB 3.43Å; L588-S626 PolarHBondContact O-N 3.36Å; L588-S626 PolarHBondContact O-OG 2.93Å; S626-P628 VanDerWaalsContact O-N 3.12Å; S626-F629 WeakPolarHBondContact O-CA 3.42Å; S626-F629 VanDerWaalsContact O-CB 3.28Å; S626-F629 WeakPolarHBondContact O-CB 3.38Å; S626-F629 PolarHBondContact O-N 3.37Å; S626-Y630 PolarHBondContact O-N 3.5Å | ||
| 627 | L | 78.9 | Confident | 84.5 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 15% | 0.152 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -48 | -36.6 | 176.1 | -70.8 | 172 | 0 | 0 | 0 | 114.7 | F629 Y630 K631 K742 G799 | L627-F629 VanDerWaalsContact C-N 3.29Å; L627-F629 PolarHBondContact O-N 3.01Å; L627-Y630 PolarHBondContact O-N 3.39Å; L627-K631 PolarHBondContact O-N 2.74Å; L627-K742 HydrophobicContact CD2-CG 3.89Å; L627-G799 WeakPolarHBondContact CG-O 3.15Å |
| 628 | P | 83.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.5 | -26.3 | 177.8 | -22.3 | 38.8 | 0 | 0 | 0 | 113 | S626 R632 L638 D642 I646 | S626-P628 VanDerWaalsContact O-N 3.12Å; P628-R632 WeakPolarHBondContact O-CG 3.46Å; P628-R632 PolarHBondContact O-N 3.01Å; P628-L638 HydrophobicContact CB-CD2 4.03Å; P628-D642 HydrophobicContact CB-CB 4.4Å; P628-D642 HydrophobicContact CG-CB 3.84Å; P628-I646 HydrophobicContact CB-CD1 4Å; P628-I646 HydrophobicContact CG-CD1 3.67Å; P628-I646 HydrophobicContact CG-CG1 4.34Å |
| 629 | F | 85.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.6 | -43.2 | 170.9 | -172.1 | -98.1 | 0 | 0 | 0 | 111.1 | I590 F625 S626 L627 K631 R632 I633 F723 | I590-F629 HydrophobicContact CD1-CE2 4.07Å; I590-F629 HydrophobicContact CG1-CD2 4.41Å; I590-F629 HydrophobicContact CG1-CE2 4.05Å; F625-F629 HydrophobicContact CB-CB 4.18Å; F625-F629 HydrophobicContact CB-CD1 3.53Å; F625-F629 HydrophobicContact CB-CE1 4.21Å; F625-F629 HydrophobicContact CB-CG 4.13Å; F625-F629 AromaticContact CD1-CD1 3.84Å; F625-F629 HydrophobicContact CD1-CD1 3.84Å; F625-F629 AromaticContact CD1-CE1 3.74Å; F625-F629 HydrophobicContact CD1-CE1 3.74Å; F625-F629 HydrophobicContact CD1-CG 4.41Å; F625-F629 HydrophobicContact CD1-CZ 4.27Å; F625-F629 AromaticContact CD2-CD1 3.85Å; F625-F629 HydrophobicContact CD2-CD1 3.85Å; F625-F629 AromaticContact CD2-CE1 3.68Å; F625-F629 HydrophobicContact CD2-CE1 3.68Å; F625-F629 AromaticContact CE1-CE1 3.95Å; F625-F629 HydrophobicContact CE1-CE1 3.95Å; F625-F629 HydrophobicContact CE1-CZ 4.21Å; F625-F629 AromaticContact CE2-CE1 3.88Å; F625-F629 HydrophobicContact CE2-CE1 3.88Å; F625-F629 AromaticContact CG-CD1 3.48Å; F625-F629 HydrophobicContact CG-CD1 3.48Å; F625-F629 VanDerWaalsContact CG-CD1 3.48Å; F625-F629 AromaticContact CG-CE1 3.61Å; F625-F629 HydrophobicContact CG-CE1 3.61Å; F625-F629 HydrophobicContact CG-CG 4.31Å; F625-F629 HydrophobicContact CZ-CE1 4.01Å; F625-F629 HydrophobicContact CZ-CZ 4.42Å; S626-F629 WeakPolarHBondContact O-CA 3.42Å; S626-F629 VanDerWaalsContact O-CB 3.28Å; S626-F629 WeakPolarHBondContact O-CB 3.38Å; S626-F629 PolarHBondContact O-N 3.37Å; L627-F629 VanDerWaalsContact C-N 3.29Å; L627-F629 PolarHBondContact O-N 3.01Å; F629-K631 PolarHBondContact O-N 2.77Å; F629-R632 WeakPolarHBondContact O-CB 3.48Å; F629-R632 PolarHBondContact O-N 3.32Å; F629-I633 HydrophobicContact CD1-CD1 3.83Å; F629-I633 HydrophobicContact CD1-CG1 4.47Å; F629-I633 HydrophobicContact CE1-CD1 3.68Å; F629-I633 HydrophobicContact CE1-CG1 4.41Å; F629-I633 WeakPolarHBondContact O-CG1 3.47Å; F629-I633 PolarHBondContact O-N 3.28Å; F629-F723 HydrophobicContact CE1-CE2 4.45Å; F629-F723 HydrophobicContact CE1-CZ 4.46Å; F629-F723 HydrophobicContact CZ-CD2 4.28Å; F629-F723 AromaticContact CZ-CE2 3.96Å; F629-F723 HydrophobicContact CZ-CE2 3.96Å; F629-F723 HydrophobicContact CZ-CZ 4.24Å |
| 630 | Y | 87.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 173.3 | -63.2 | -58.9 | 0 | 0 | 0 | 112.5 | F625 S626 L627 R632 I633 L634 L744 E745 L748 | F625-Y630 HydrophobicContact CB-CE1 4.19Å; F625-Y630 HydrophobicContact CB-CE2 4.04Å; F625-Y630 HydrophobicContact CD2-CE1 4.14Å; F625-Y630 WeakPolarHBondContact O-CE2 3.35Å; S626-Y630 PolarHBondContact O-N 3.5Å; L627-Y630 PolarHBondContact O-N 3.39Å; Y630-R632 VanDerWaalsContact C-N 3.34Å; Y630-R632 PolarHBondContact O-N 2.87Å; Y630-I633 HydrophobicContact CD1-CD1 4.22Å; Y630-I633 PolarHBondContact O-N 2.83Å; Y630-I633 VanDerWaalsContact O-N 3.13Å; Y630-L634 WeakPolarHBondContact O-CG 3.38Å; Y630-L634 PolarHBondContact O-N 2.69Å; Y630-L634 VanDerWaalsContact O-N 3.15Å; Y630-L744 HydrophobicContact CD1-CD2 4.09Å; Y630-L744 HydrophobicContact CD1-CG 4.15Å; Y630-E745 HydrophobicContact CD2-CB 4.03Å; Y630-E745 HydrophobicContact CD2-CG 4.41Å; Y630-E745 HydrophobicContact CE2-CB 3.75Å; Y630-E745 HydrophobicContact CE2-CG 3.67Å; Y630-L748 HydrophobicContact CD1-CD1 4.18Å; Y630-L748 HydrophobicContact CE1-CD1 3.64Å |
| 631 | K | 86.6 | Confident | 83 | Confident | 28 Ų | 28 | 33.3 Ų | 33.3 | 12% | 0.122 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 171.8 | -80.4 | -174.7 | 166.9 | 175.9 | 0 | 112.5 | L627 F629 L634 N635 K636 L638 D642 A741 | L627-K631 PolarHBondContact O-N 2.74Å; F629-K631 PolarHBondContact O-N 2.77Å; K631-L634 CarbonylContact O-C 3.51Å; K631-L634 PolarHBondContact O-N 3.35Å; K631-L634 VanDerWaalsContact O-N 3.16Å; K631-N635 PolarHBondContact O-N 3.38Å; K631-K636 HydrophobicContact CB-CB 4.25Å; K631-K636 HydrophobicContact CG-CB 4.33Å; K631-K636 PolarHBondContact O-N 2.92Å; K631-L638 HydrophobicContact CB-CD2 3.61Å; K631-L638 HydrophobicContact CD-CD2 3.99Å; K631-L638 HydrophobicContact CG-CD2 4.45Å; K631-D642 WeakPolarHBondContact CD-OD2 3.36Å; K631-D642 WeakPolarHBondContact CE-OD1 3.28Å; K631-D642 IonicContact NZ-OD1 2.74Å; K631-D642 PolarHBondContact NZ-OD1 3.27Å; K631-D642 IonicContact NZ-OD2 3.1Å; K631-D642 PolarHBondContact NZ-OD2 3.45Å; K631-A741 HydrophobicContact CG-CB 3.71Å |
| 632 | R | 85.1 | Confident | 82.6 | Confident | 43 Ų | 43 | 33.9 Ų | 33.9 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.5 | -49.7 | 170.6 | -76.4 | 175.7 | 173.6 | 134.4 | 9.2 | 111.2 | P628 F629 Y630 L634 N635 L712 S713 F724 | P628-R632 WeakPolarHBondContact O-CG 3.46Å; P628-R632 PolarHBondContact O-N 3.01Å; F629-R632 WeakPolarHBondContact O-CB 3.48Å; F629-R632 PolarHBondContact O-N 3.32Å; Y630-R632 VanDerWaalsContact C-N 3.34Å; Y630-R632 PolarHBondContact O-N 2.87Å; R632-L634 PolarHBondContact O-N 3.44Å; R632-N635 PolarHBondContact O-N 2.86Å; R632-L712 PolarHBondContact NH1-O 3.25Å; R632-L712 PolarHBondContact NH2-O 2.85Å; R632-S713 PolarHBondContact NH2-OG 2.82Å; R632-F724 VanDerWaalsContact C-CZ 3.46Å; R632-F724 HydrophobicContact CB-CE2 4.46Å; R632-F724 HydrophobicContact CB-CZ 4.28Å; R632-F724 WeakPolarHBondContact O-CZ 3.43Å |
| 633 | I | 86.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.8 | -27.4 | 179.8 | -62.8 | 170.9 | 0 | 0 | 0 | 112.2 | F629 Y630 F723 F727 Q733 L736 L744 | F629-I633 HydrophobicContact CD1-CD1 3.83Å; F629-I633 HydrophobicContact CD1-CG1 4.47Å; F629-I633 HydrophobicContact CE1-CD1 3.68Å; F629-I633 HydrophobicContact CE1-CG1 4.41Å; F629-I633 WeakPolarHBondContact O-CG1 3.47Å; F629-I633 PolarHBondContact O-N 3.28Å; Y630-I633 HydrophobicContact CD1-CD1 4.22Å; Y630-I633 PolarHBondContact O-N 2.83Å; Y630-I633 VanDerWaalsContact O-N 3.13Å; I633-F723 HydrophobicContact CD1-CE1 4.29Å; I633-F723 HydrophobicContact CD1-CZ 3.95Å; I633-F723 HydrophobicContact CG1-CE1 3.84Å; I633-F723 HydrophobicContact CG1-CZ 4.02Å; I633-F727 HydrophobicContact CG2-CE2 4.16Å; I633-F727 HydrophobicContact CG2-CZ 4.11Å; I633-Q733 PolarHBondContact O-NE2 3.33Å; I633-L736 HydrophobicContact CG2-CD1 4.22Å; I633-L744 HydrophobicContact CB-CD2 3.67Å; I633-L744 HydrophobicContact CD1-CD2 4.4Å; I633-L744 HydrophobicContact CG2-CD2 3.52Å |
| 634 | L | 85.8 | Confident | 82.8 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 3.6 | 178.7 | -62.7 | 166.9 | 0 | 0 | 0 | 114.5 | Y630 K631 R632 K636 L736 F739 D740 A741 L744 | Y630-L634 WeakPolarHBondContact O-CG 3.38Å; Y630-L634 PolarHBondContact O-N 2.69Å; Y630-L634 VanDerWaalsContact O-N 3.15Å; K631-L634 CarbonylContact O-C 3.51Å; K631-L634 PolarHBondContact O-N 3.35Å; K631-L634 VanDerWaalsContact O-N 3.16Å; R632-L634 PolarHBondContact O-N 3.44Å; L634-K636 HydrophobicContact CB-CG 3.65Å; L634-K636 PolarHBondContact O-N 2.92Å; L634-L736 HydrophobicContact CD2-CB 3.79Å; L634-L736 HydrophobicContact CD2-CD1 4.48Å; L634-F739 WeakPolarHBondContact CD1-O 3.45Å; L634-F739 HydrophobicContact CD2-CB 4.19Å; L634-D740 WeakPolarHBondContact CD1-O 3.42Å; L634-A741 HydrophobicContact CD1-CB 4.27Å; L634-L744 HydrophobicContact CD1-CB 4.1Å; L634-L744 HydrophobicContact CD1-CD2 4.11Å; L634-L744 HydrophobicContact CD2-CB 4.4Å; L634-L744 HydrophobicContact CD2-CD2 3.92Å; L634-L744 HydrophobicContact CG-CB 4.47Å; L634-L744 HydrophobicContact CG-CD2 3.72Å |
| 635 | N | 81.8 | Confident | 82.9 | Confident | 134 Ų | 134 | 33.7 Ų | 33.7 | 72% | 0.717 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 38.6 | -169.5 | -165.6 | 46.6 | 0 | 0 | 0 | 113 | K631 R632 | K631-N635 PolarHBondContact O-N 3.38Å; R632-N635 PolarHBondContact O-N 2.86Å |
| 636 | K | 84 | Confident | 82.8 | Confident | 61 Ų | 61 | 33.7 Ų | 33.7 | 27% | 0.265 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -91.3 | 141.7 | 175.7 | -57.8 | -63.9 | 176.8 | -176.2 | 0 | 109.8 | K631 L634 Q737 | K631-K636 HydrophobicContact CB-CB 4.25Å; K631-K636 HydrophobicContact CG-CB 4.33Å; K631-K636 PolarHBondContact O-N 2.92Å; L634-K636 HydrophobicContact CB-CG 3.65Å; L634-K636 PolarHBondContact O-N 2.92Å; K636-Q737 PolarHBondContact NZ-O 2.95Å |
| 637 | P | 80.9 | Confident | 82.8 | Confident | 113 Ų | 113 | 35 Ų | 35 | 73% | 0.734 | 19% | 0.188 | S | C | * | . | P | Polyproline II helix | trans | -62.5 | 146.9 | 176.8 | 27.5 | -35 | 0 | 0 | 0 | 111 | ||
| 638 | L | 83.9 | Confident | 82.9 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -88.7 | 138.6 | 173.6 | -55.4 | -176.9 | 0 | 0 | 0 | 109.7 | P628 K631 D642 L712 | P628-L638 HydrophobicContact CB-CD2 4.03Å; K631-L638 HydrophobicContact CB-CD2 3.61Å; K631-L638 HydrophobicContact CD-CD2 3.99Å; K631-L638 HydrophobicContact CG-CD2 4.45Å; L638-D642 WeakPolarHBondContact CA-OD2 3.18Å; L638-L712 HydrophobicContact CB-CD1 3.75Å; L638-L712 HydrophobicContact CD1-CB 3.83Å; L638-L712 HydrophobicContact CD1-CD1 3.97Å; L638-L712 HydrophobicContact CD1-CG 4.45Å; L638-L712 HydrophobicContact CG-CD1 4.46Å |
| 639 | A | 81.9 | Confident | 82.8 | Confident | 50 Ų | 50 | 40 Ų | 40 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | trans | -116.2 | 163.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K641 D642 | A639-K641 PolarHBondContact O-N 3.13Å; A639-K641 VanDerWaalsContact O-N 3.13Å; A639-D642 PolarHBondContact N-OD2 3.35Å; A639-D642 VanDerWaalsContact O-CB 3.24Å; A639-D642 WeakPolarHBondContact O-CB 3.37Å; A639-D642 PolarHBondContact O-N 3.4Å | ||
| 640 | L | 85.2 | Confident | 82.7 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.199 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -52 | -40.2 | 180 | -179.7 | 61.3 | 0 | 0 | 0 | 113.2 | D642 L643 Y651 L654 I655 I704 A708 | L640-D642 VanDerWaalsContact C-N 3.28Å; L640-D642 PolarHBondContact O-N 2.96Å; L640-L643 VanDerWaalsContact O-CB 3.32Å; L640-L643 WeakPolarHBondContact O-CB 3.47Å; L640-L643 PolarHBondContact O-N 2.91Å; L640-Y651 HydrophobicContact CD1-CD2 4.31Å; L640-Y651 HydrophobicContact CG-CD2 4.27Å; L640-Y651 HydrophobicContact CG-CE2 4.07Å; L640-Y651 VanDerWaalsContact O-CD2 3.29Å; L640-Y651 WeakPolarHBondContact O-CD2 3.33Å; L640-Y651 WeakPolarHBondContact O-CE2 3.35Å; L640-L654 HydrophobicContact CD1-CB 3.85Å; L640-L654 HydrophobicContact CD1-CD1 3.6Å; L640-L654 HydrophobicContact CD1-CG 4.4Å; L640-I655 HydrophobicContact CD2-CD1 3.67Å; L640-I655 HydrophobicContact CG-CD1 4.37Å; L640-I704 HydrophobicContact CD1-CG2 3.83Å; L640-I704 HydrophobicContact CD2-CG2 3.64Å; L640-I704 HydrophobicContact CG-CG2 4.27Å; L640-A708 HydrophobicContact CD1-CB 4.06Å |
| 641 | K | 81.8 | Confident | 82.7 | Confident | 94 Ų | 94 | 41.7 Ų | 41.7 | 41% | 0.409 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -66.7 | -23.8 | 178.6 | -177.1 | 160.6 | -178.8 | 148.9 | 0 | 114.1 | A639 L643 E644 S834 | A639-K641 PolarHBondContact O-N 3.13Å; A639-K641 VanDerWaalsContact O-N 3.13Å; K641-L643 PolarHBondContact O-N 2.87Å; K641-E644 WeakPolarHBondContact CE-OE2 3.46Å; K641-E644 IonicContact NZ-OE2 2.85Å; K641-E644 PolarHBondContact NZ-OE2 3.16Å; K641-E644 VanDerWaalsContact O-CB 3.29Å; K641-E644 WeakPolarHBondContact O-CB 3.42Å; K641-E644 PolarHBondContact O-N 3.27Å; K641-E644 VanDerWaalsContact O-N 3.13Å; K641-S834 PolarHBondContact NZ-O 3.44Å |
| 642 | D | 82.6 | Confident | 82.6 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -62 | -30.2 | 175.1 | -69.8 | -39.3 | 0 | 0 | 0 | 111.6 | P628 K631 L638 A639 L640 E644 S645 L712 | P628-D642 HydrophobicContact CB-CB 4.4Å; P628-D642 HydrophobicContact CG-CB 3.84Å; K631-D642 WeakPolarHBondContact CD-OD2 3.36Å; K631-D642 WeakPolarHBondContact CE-OD1 3.28Å; K631-D642 IonicContact NZ-OD1 2.74Å; K631-D642 PolarHBondContact NZ-OD1 3.27Å; K631-D642 IonicContact NZ-OD2 3.1Å; K631-D642 PolarHBondContact NZ-OD2 3.45Å; L638-D642 WeakPolarHBondContact CA-OD2 3.18Å; A639-D642 PolarHBondContact N-OD2 3.35Å; A639-D642 VanDerWaalsContact O-CB 3.24Å; A639-D642 WeakPolarHBondContact O-CB 3.37Å; A639-D642 PolarHBondContact O-N 3.4Å; L640-D642 VanDerWaalsContact C-N 3.28Å; L640-D642 PolarHBondContact O-N 2.96Å; D642-E644 VanDerWaalsContact C-N 3.35Å; D642-S645 PolarHBondContact O-N 2.94Å; D642-S645 PolarHBondContact O-OG 3.01Å; D642-L712 HydrophobicContact CB-CD1 4.24Å |
| 643 | L | 83.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -72.5 | -23.1 | 177.9 | -168.8 | 53.1 | 0 | 0 | 0 | 113.5 | L640 K641 S645 I646 D647 F650 L654 A708 R711 L712 | L640-L643 VanDerWaalsContact O-CB 3.32Å; L640-L643 WeakPolarHBondContact O-CB 3.47Å; L640-L643 PolarHBondContact O-N 2.91Å; K641-L643 PolarHBondContact O-N 2.87Å; L643-S645 PolarHBondContact O-N 3.43Å; L643-I646 HydrophobicContact CD1-CB 4.45Å; L643-I646 HydrophobicContact CD1-CG2 4.26Å; L643-I646 PolarHBondContact O-N 3.1Å; L643-I646 VanDerWaalsContact O-N 3.12Å; L643-D647 HydrophobicContact CD1-CB 3.85Å; L643-D647 CarbonylContact O-C 3.56Å; L643-D647 PolarHBondContact O-N 3.32Å; L643-F650 HydrophobicContact CD2-CD1 3.67Å; L643-F650 HydrophobicContact CD2-CE1 3.97Å; L643-F650 HydrophobicContact CG-CD1 4.49Å; L643-L654 HydrophobicContact CD2-CD1 4.04Å; L643-A708 HydrophobicContact CD2-CB 4.25Å; L643-R711 HydrophobicContact CD1-CG 3.65Å; L643-R711 HydrophobicContact CD2-CB 4.26Å; L643-R711 HydrophobicContact CD2-CG 4.01Å; L643-R711 HydrophobicContact CG-CG 4.48Å; L643-L712 HydrophobicContact CB-CD1 4.49Å; L643-L712 HydrophobicContact CB-CD2 4.34Å; L643-L712 HydrophobicContact CD1-CD2 3.73Å; L643-L712 HydrophobicContact CD1-CG 4.13Å |
| 644 | E | 81.6 | Confident | 83 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -44 | 171.5 | -172.1 | 176.8 | -155 | 0 | 0 | 109.9 | K641 D642 I646 Y651 H835 C837 | K641-E644 WeakPolarHBondContact CE-OE2 3.46Å; K641-E644 IonicContact NZ-OE2 2.85Å; K641-E644 PolarHBondContact NZ-OE2 3.16Å; K641-E644 VanDerWaalsContact O-CB 3.29Å; K641-E644 WeakPolarHBondContact O-CB 3.42Å; K641-E644 PolarHBondContact O-N 3.27Å; K641-E644 VanDerWaalsContact O-N 3.13Å; D642-E644 VanDerWaalsContact C-N 3.35Å; E644-I646 VanDerWaalsContact C-N 3.3Å; E644-I646 PolarHBondContact O-N 3.08Å; E644-Y651 HydrophobicContact CB-CD1 3.69Å; E644-Y651 HydrophobicContact CB-CD2 4.01Å; E644-Y651 HydrophobicContact CB-CE1 3.74Å; E644-Y651 HydrophobicContact CB-CE2 4.06Å; E644-Y651 HydrophobicContact CB-CG 3.82Å; E644-Y651 HydrophobicContact CG-CD1 3.73Å; E644-Y651 HydrophobicContact CG-CE1 3.65Å; E644-Y651 HydrophobicContact CG-CG 4.37Å; E644-H835 IonicContact OE1-CE1 3.35Å; E644-H835 IonicContact OE1-CG 2.74Å; E644-H835 IonicContact OE1-ND1 3.34Å; E644-H835 PolarHBondContact OE1-ND1 2.83Å; E644-C837 PolarHBondContact O-SG 2.7Å |
| 645 | S | 74.8 | Confident | 83.1 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 12% | 0.119 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.5 | -177.8 | 72.1 | 0 | 0 | 0 | 0 | 115.6 | D642 L643 | D642-S645 PolarHBondContact O-N 2.94Å; D642-S645 PolarHBondContact O-OG 3.01Å; L643-S645 PolarHBondContact O-N 3.43Å |
| 646 | I | 78.3 | Confident | 83.4 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -45 | -174 | -79.2 | 179.3 | 0 | 0 | 0 | 111.6 | A581 P628 L643 E644 L712 | A581-I646 HydrophobicContact CB-CB 4.41Å; A581-I646 HydrophobicContact CB-CG1 4.47Å; A581-I646 HydrophobicContact CB-CG2 4.14Å; A581-I646 WeakPolarHBondContact CB-O 3.46Å; P628-I646 HydrophobicContact CB-CD1 4Å; P628-I646 HydrophobicContact CG-CD1 3.67Å; P628-I646 HydrophobicContact CG-CG1 4.34Å; L643-I646 HydrophobicContact CD1-CB 4.45Å; L643-I646 HydrophobicContact CD1-CG2 4.26Å; L643-I646 PolarHBondContact O-N 3.1Å; L643-I646 VanDerWaalsContact O-N 3.12Å; E644-I646 VanDerWaalsContact C-N 3.3Å; E644-I646 PolarHBondContact O-N 3.08Å; I646-L712 HydrophobicContact CB-CD2 4.44Å; I646-L712 HydrophobicContact CD1-CD2 3.79Å; I646-L712 HydrophobicContact CG2-CD2 4.46Å |
| 647 | D | 80.1 | Confident | 83.6 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | trans | -140.7 | 82.5 | -175.5 | -166.3 | -27.3 | 0 | 0 | 0 | 109.8 | L643 E649 F650 Y651 R711 | L643-D647 HydrophobicContact CD1-CB 3.85Å; L643-D647 CarbonylContact O-C 3.56Å; L643-D647 PolarHBondContact O-N 3.32Å; D647-E649 VanDerWaalsContact C-N 3.31Å; D647-E649 PolarHBondContact O-N 3.05Å; D647-F650 HydrophobicContact CB-CB 3.97Å; D647-F650 PolarHBondContact O-N 2.98Å; D647-F650 WeakPolarHBondContact OD1-CB 3.34Å; D647-F650 PolarHBondContact OD1-N 3.22Å; D647-F650 VanDerWaalsContact OD1-N 3.08Å; D647-F650 WeakPolarHBondContact OD2-CB 3.15Å; D647-Y651 WeakPolarHBondContact O-CB 3.29Å; D647-Y651 PolarHBondContact O-N 3.33Å; D647-R711 IonicContact OD2-CZ 3.57Å; D647-R711 IonicContact OD2-NE 3.53Å; D647-R711 PolarHBondContact OD2-NE 2.93Å; D647-R711 IonicContact OD2-NH2 2.72Å; D647-R711 PolarHBondContact OD2-NH2 3.27Å | ||
| 648 | P | 79.6 | Confident | 84 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -35.2 | -174.6 | -22.8 | 32.3 | 0 | 0 | 0 | 113.2 | N652 C837 | P648-N652 WeakPolarHBondContact O-CB 3.46Å; P648-N652 PolarHBondContact O-N 2.89Å; P648-N652 PolarHBondContact O-ND2 2.75Å; P648-C837 HydrophobicContact CG-CB 4.49Å |
| 649 | E | 81.2 | Confident | 84.2 | Confident | 100 Ų | 100 | 40.4 Ų | 40.4 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.4 | -41.5 | 179.3 | -67.6 | -162.8 | -168.8 | 0 | 0 | 111.4 | K41 D647 S653 | K41-E649 IonicContact NZ-OE1 3.74Å; K41-E649 IonicContact NZ-OE2 2.78Å; K41-E649 PolarHBondContact NZ-OE2 3.48Å; D647-E649 VanDerWaalsContact C-N 3.31Å; D647-E649 PolarHBondContact O-N 3.05Å; E649-S653 PolarHBondContact O-N 3.34Å; E649-S653 PolarHBondContact O-OG 2.72Å |
| 650 | F | 84.4 | Confident | 84.4 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.5 | -38.7 | 177.3 | -166.4 | -80.2 | 0 | 0 | 0 | 112.2 | L74 L643 D647 S653 L654 V707 R711 | L74-F650 HydrophobicContact CD2-CD2 3.88Å; L74-F650 HydrophobicContact CD2-CE2 3.39Å; L74-F650 HydrophobicContact CD2-CZ 3.85Å; L643-F650 HydrophobicContact CD2-CD1 3.67Å; L643-F650 HydrophobicContact CD2-CE1 3.97Å; L643-F650 HydrophobicContact CG-CD1 4.49Å; D647-F650 HydrophobicContact CB-CB 3.97Å; D647-F650 PolarHBondContact O-N 2.98Å; D647-F650 WeakPolarHBondContact OD1-CB 3.34Å; D647-F650 PolarHBondContact OD1-N 3.22Å; D647-F650 VanDerWaalsContact OD1-N 3.08Å; D647-F650 WeakPolarHBondContact OD2-CB 3.15Å; F650-S653 WeakPolarHBondContact O-CB 3.48Å; F650-S653 PolarHBondContact O-N 3.32Å; F650-S653 VanDerWaalsContact O-N 3.17Å; F650-L654 HydrophobicContact CD1-CD1 4.16Å; F650-L654 HydrophobicContact CD1-CG 4.28Å; F650-L654 HydrophobicContact CE1-CD1 3.9Å; F650-L654 HydrophobicContact CE1-CG 4.2Å; F650-L654 PolarHBondContact O-N 2.82Å; F650-V707 HydrophobicContact CE1-CG1 3.59Å; F650-V707 HydrophobicContact CZ-CG1 3.45Å; F650-V707 VanDerWaalsContact CZ-CG1 3.45Å; F650-R711 HydrophobicContact CD1-CB 4.42Å; F650-R711 HydrophobicContact CD1-CG 3.88Å; F650-R711 HydrophobicContact CE1-CB 3.69Å; F650-R711 HydrophobicContact CE1-CG 3.61Å; F650-R711 HydrophobicContact CE2-CG 4.5Å; F650-R711 HydrophobicContact CG-CG 4.39Å; F650-R711 HydrophobicContact CZ-CB 3.95Å; F650-R711 HydrophobicContact CZ-CG 3.96Å |
| 651 | Y | 86.6 | Confident | 84.4 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 171.5 | 170 | -102.8 | 0 | 0 | 0 | 111.7 | L640 E644 D647 S653 L654 I655 | L640-Y651 HydrophobicContact CD1-CD2 4.31Å; L640-Y651 HydrophobicContact CG-CD2 4.27Å; L640-Y651 HydrophobicContact CG-CE2 4.07Å; L640-Y651 VanDerWaalsContact O-CD2 3.29Å; L640-Y651 WeakPolarHBondContact O-CD2 3.33Å; L640-Y651 WeakPolarHBondContact O-CE2 3.35Å; E644-Y651 HydrophobicContact CB-CD1 3.69Å; E644-Y651 HydrophobicContact CB-CD2 4.01Å; E644-Y651 HydrophobicContact CB-CE1 3.74Å; E644-Y651 HydrophobicContact CB-CE2 4.06Å; E644-Y651 HydrophobicContact CB-CG 3.82Å; E644-Y651 HydrophobicContact CG-CD1 3.73Å; E644-Y651 HydrophobicContact CG-CE1 3.65Å; E644-Y651 HydrophobicContact CG-CG 4.37Å; D647-Y651 WeakPolarHBondContact O-CB 3.29Å; D647-Y651 PolarHBondContact O-N 3.33Å; Y651-S653 PolarHBondContact O-N 2.71Å; Y651-L654 PolarHBondContact O-N 2.78Å; Y651-L654 VanDerWaalsContact O-N 3.16Å; Y651-I655 HydrophobicContact CD1-CG1 4.31Å; Y651-I655 HydrophobicContact CD2-CG1 4.16Å; Y651-I655 HydrophobicContact CE1-CG1 3.88Å; Y651-I655 HydrophobicContact CE2-CD1 3.88Å; Y651-I655 HydrophobicContact CE2-CG1 3.71Å; Y651-I655 HydrophobicContact CG-CG1 4.45Å; Y651-I655 WeakPolarHBondContact O-CG1 3.17Å; Y651-I655 PolarHBondContact O-N 2.93Å |
| 652 | N | 85.8 | Confident | 84.5 | Confident | 91 Ų | 91 | 36.8 Ų | 36.8 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.6 | -33.4 | 175.7 | -78.2 | -61.1 | 0 | 0 | 0 | 112.1 | P648 W656 | P648-N652 WeakPolarHBondContact O-CB 3.46Å; P648-N652 PolarHBondContact O-N 2.89Å; P648-N652 PolarHBondContact O-ND2 2.75Å; N652-W656 WeakPolarHBondContact O-CB 3.44Å; N652-W656 PolarHBondContact O-N 2.89Å |
| 653 | S | 87.9 | Confident | 84.4 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 174.2 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | T73 E649 F650 Y651 W656 I657 | T73-S653 PolarHBondContact OG1-OG 2.84Å; T73-S653 VanDerWaalsContact OG1-OG 3.07Å; E649-S653 PolarHBondContact O-N 3.34Å; E649-S653 PolarHBondContact O-OG 2.72Å; F650-S653 WeakPolarHBondContact O-CB 3.48Å; F650-S653 PolarHBondContact O-N 3.32Å; F650-S653 VanDerWaalsContact O-N 3.17Å; Y651-S653 PolarHBondContact O-N 2.71Å; S653-W656 PolarHBondContact O-N 3.18Å; S653-I657 WeakPolarHBondContact O-CD1 3.33Å; S653-I657 WeakPolarHBondContact O-CG1 3.38Å; S653-I657 PolarHBondContact O-N 3.37Å; S653-I657 VanDerWaalsContact O-N 3.1Å |
| 654 | L | 90.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.7 | -39.4 | 177.1 | -69.7 | -174.9 | 0 | 0 | 0 | 113.4 | L640 L643 F650 Y651 W656 I657 K658 I704 V707 A708 | L640-L654 HydrophobicContact CD1-CB 3.85Å; L640-L654 HydrophobicContact CD1-CD1 3.6Å; L640-L654 HydrophobicContact CD1-CG 4.4Å; L643-L654 HydrophobicContact CD2-CD1 4.04Å; F650-L654 HydrophobicContact CD1-CD1 4.16Å; F650-L654 HydrophobicContact CD1-CG 4.28Å; F650-L654 HydrophobicContact CE1-CD1 3.9Å; F650-L654 HydrophobicContact CE1-CG 4.2Å; F650-L654 PolarHBondContact O-N 2.82Å; Y651-L654 PolarHBondContact O-N 2.78Å; Y651-L654 VanDerWaalsContact O-N 3.16Å; L654-W656 VanDerWaalsContact C-N 3.29Å; L654-W656 PolarHBondContact O-N 2.81Å; L654-I657 HydrophobicContact CD2-CD1 4.12Å; L654-I657 PolarHBondContact O-N 3.02Å; L654-K658 PolarHBondContact O-N 3.01Å; L654-I704 HydrophobicContact CB-CG2 4.32Å; L654-I704 HydrophobicContact CD1-CG2 4.48Å; L654-I704 HydrophobicContact CD2-CG1 4.48Å; L654-V707 HydrophobicContact CD1-CB 4.46Å; L654-V707 HydrophobicContact CD1-CG1 4.18Å; L654-V707 HydrophobicContact CD2-CB 4.23Å; L654-V707 HydrophobicContact CD2-CG1 3.96Å; L654-A708 HydrophobicContact CD1-CB 4.18Å |
| 655 | I | 88.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 20% | 0.2 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 173 | -67.2 | -68.7 | 0 | 0 | 0 | 110.5 | L640 Y651 K658 D659 | L640-I655 HydrophobicContact CD2-CD1 3.67Å; L640-I655 HydrophobicContact CG-CD1 4.37Å; Y651-I655 HydrophobicContact CD1-CG1 4.31Å; Y651-I655 HydrophobicContact CD2-CG1 4.16Å; Y651-I655 HydrophobicContact CE1-CG1 3.88Å; Y651-I655 HydrophobicContact CE2-CD1 3.88Å; Y651-I655 HydrophobicContact CE2-CG1 3.71Å; Y651-I655 HydrophobicContact CG-CG1 4.45Å; Y651-I655 WeakPolarHBondContact O-CG1 3.17Å; Y651-I655 PolarHBondContact O-N 2.93Å; I655-K658 WeakPolarHBondContact O-CB 3.24Å; I655-K658 PolarHBondContact O-N 2.91Å; I655-D659 WeakPolarHBondContact O-CB 3.11Å; I655-D659 PolarHBondContact O-N 3.32Å |
| 656 | W | 87.1 | Confident | 83.4 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 25% | 0.254 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.6 | -174.8 | 85.9 | 0 | 0 | 0 | 112.2 | F22 N652 S653 L654 K658 D659 N660 C665 L667 | F22-W656 AromaticContact CE1-NE1 3.99Å; F22-W656 AromaticContact CE2-CE2 3.88Å; F22-W656 HydrophobicContact CE2-CH2 4.21Å; F22-W656 AromaticContact CE2-CZ2 3.43Å; F22-W656 HydrophobicContact CE2-CZ2 3.43Å; F22-W656 VanDerWaalsContact CE2-CZ2 3.43Å; F22-W656 AromaticContact CZ-CE2 3.58Å; F22-W656 AromaticContact CZ-CZ2 3.53Å; F22-W656 HydrophobicContact CZ-CZ2 3.53Å; F22-W656 AromaticContact CZ-NE1 3.35Å; N652-W656 WeakPolarHBondContact O-CB 3.44Å; N652-W656 PolarHBondContact O-N 2.89Å; S653-W656 PolarHBondContact O-N 3.18Å; L654-W656 VanDerWaalsContact C-N 3.29Å; L654-W656 PolarHBondContact O-N 2.81Å; W656-K658 VanDerWaalsContact C-N 3.26Å; W656-K658 PolarHBondContact O-N 3.33Å; W656-D659 PolarHBondContact O-N 2.85Å; W656-N660 VanDerWaalsContact CD1-ND2 3.31Å; W656-N660 HydrophobicContact CD2-CB 4.41Å; W656-N660 VanDerWaalsContact CE2-CG 3.45Å; W656-N660 HydrophobicContact CH2-CB 4Å; W656-N660 HydrophobicContact CZ2-CB 3.57Å; W656-N660 VanDerWaalsContact NE1-CG 3.31Å; W656-N660 PolarHBondContact NE1-ND2 3.01Å; W656-N660 PolarHBondContact NE1-OD1 2.93Å; W656-N660 WeakPolarHBondContact O-CB 3.29Å; W656-N660 PolarHBondContact O-N 2.83Å; W656-N660 PolarHBondContact O-ND2 2.94Å; W656-C665 HydrophobicContact CH2-CB 4.24Å; W656-L667 HydrophobicContact CH2-CD1 3.66Å; W656-L667 HydrophobicContact CZ3-CD1 3.4Å; W656-L667 VanDerWaalsContact CZ3-CD1 3.4Å |
| 657 | I | 89.1 | Confident | 83.3 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -38.5 | 174.1 | -69.4 | 157.8 | 0 | 0 | 0 | 111.2 | L74 S653 L654 I662 M669 K700 Y703 I704 | L74-I657 HydrophobicContact CD1-CD1 3.73Å; S653-I657 WeakPolarHBondContact O-CD1 3.33Å; S653-I657 WeakPolarHBondContact O-CG1 3.38Å; S653-I657 PolarHBondContact O-N 3.37Å; S653-I657 VanDerWaalsContact O-N 3.1Å; L654-I657 HydrophobicContact CD2-CD1 4.12Å; L654-I657 PolarHBondContact O-N 3.02Å; I657-I662 HydrophobicContact CG2-CG2 4.14Å; I657-M669 HydrophobicContact CD1-CE 3.75Å; I657-M669 HydrophobicContact CG1-CE 4.21Å; I657-M669 HydrophobicContact CG2-CE 4.24Å; I657-K700 WeakPolarHBondContact O-CD 3.49Å; I657-K700 PolarHBondContact O-NZ 3.43Å; I657-Y703 HydrophobicContact CD1-CE1 4.48Å; I657-I704 HydrophobicContact CG2-CD1 4.06Å; I657-I704 HydrophobicContact CG2-CG1 4.08Å |
| 658 | K | 89.4 | Confident | 83.3 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -52.3 | 177.4 | -160.8 | -161.1 | 176.7 | -152.3 | 0 | 112 | L654 I655 W656 N660 K700 E701 I704 | L654-K658 PolarHBondContact O-N 3.01Å; I655-K658 WeakPolarHBondContact O-CB 3.24Å; I655-K658 PolarHBondContact O-N 2.91Å; W656-K658 VanDerWaalsContact C-N 3.26Å; W656-K658 PolarHBondContact O-N 3.33Å; K658-N660 PolarHBondContact O-N 2.83Å; K658-K700 VanDerWaalsContact O-CE 3.29Å; K658-K700 WeakPolarHBondContact O-CE 3.47Å; K658-K700 PolarHBondContact O-NZ 3.13Å; K658-K700 VanDerWaalsContact O-NZ 3.07Å; K658-E701 WeakPolarHBondContact CE-OE1 3.27Å; K658-E701 WeakPolarHBondContact CG-OE1 3.4Å; K658-I704 HydrophobicContact CB-CD1 3.69Å; K658-I704 HydrophobicContact CG-CD1 4Å |
| 659 | D | 88.3 | Confident | 83.6 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -84.5 | -5.2 | -165.8 | -66.1 | -6.6 | 0 | 0 | 0 | 114.1 | I655 W656 | I655-D659 WeakPolarHBondContact O-CB 3.11Å; I655-D659 PolarHBondContact O-N 3.32Å; W656-D659 PolarHBondContact O-N 2.85Å |
| 660 | N | 86.2 | Confident | 84.2 | Confident | 57 Ų | 57 | 61 Ų | 61 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -125.5 | 152.5 | -175.6 | -62.9 | -105.4 | 0 | 0 | 0 | 111.2 | W656 K658 I662 K700 | W656-N660 VanDerWaalsContact CD1-ND2 3.31Å; W656-N660 HydrophobicContact CD2-CB 4.41Å; W656-N660 VanDerWaalsContact CE2-CG 3.45Å; W656-N660 HydrophobicContact CH2-CB 4Å; W656-N660 HydrophobicContact CZ2-CB 3.57Å; W656-N660 VanDerWaalsContact NE1-CG 3.31Å; W656-N660 PolarHBondContact NE1-ND2 3.01Å; W656-N660 PolarHBondContact NE1-OD1 2.93Å; W656-N660 WeakPolarHBondContact O-CB 3.29Å; W656-N660 PolarHBondContact O-N 2.83Å; W656-N660 PolarHBondContact O-ND2 2.94Å; K658-N660 PolarHBondContact O-N 2.83Å; N660-I662 PolarHBondContact O-N 2.8Å; N660-K700 PolarHBondContact O-NZ 2.9Å |
| 661 | N | 84.6 | Confident | 84.7 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | trans | -75.8 | 112.8 | 174.7 | -176.1 | -18.6 | 0 | 0 | 0 | 110.3 | E663 E664 C665 E697 | N661-E663 WeakPolarHBondContact OD1-CB 3.39Å; N661-E663 PolarHBondContact OD1-N 3.45Å; N661-E664 HydrophobicContact CB-CB 4.16Å; N661-E664 HydrophobicContact CB-CG 4.32Å; N661-E664 WeakPolarHBondContact ND2-CG 3.39Å; N661-E664 PolarHBondContact ND2-OE1 3.19Å; N661-E664 PolarHBondContact OD1-N 3.18Å; N661-C665 PolarHBondContact O-N 2.96Å; N661-C665 PolarHBondContact O-SG 3.3Å; N661-E697 WeakPolarHBondContact CA-OE1 3.35Å; N661-E697 WeakPolarHBondContact OD1-CG 3.27Å | ||
| 662 | I | 85.1 | Confident | 84.9 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -26.8 | -176.1 | 69.2 | -177.9 | 0 | 0 | 0 | 113.2 | I657 N660 C665 G666 L667 V695 E697 K700 | I657-I662 HydrophobicContact CG2-CG2 4.14Å; N660-I662 PolarHBondContact O-N 2.8Å; I662-C665 PolarHBondContact O-N 3.36Å; I662-G666 PolarHBondContact O-N 3.38Å; I662-L667 PolarHBondContact O-N 3.02Å; I662-V695 HydrophobicContact CD1-CB 4.13Å; I662-V695 HydrophobicContact CD1-CG1 3.66Å; I662-E697 PolarHBondContact N-OE1 2.74Å; I662-K700 HydrophobicContact CD1-CB 4.22Å; I662-K700 HydrophobicContact CG2-CD 4.46Å |
| 663 | E | 80.3 | Confident | 85 | Confident | 115 Ų | 115 | 56.2 Ų | 56.2 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -42.4 | -179 | -62.8 | 175.7 | -159 | 0 | 0 | 110.6 | N661 C665 G666 T696 E697 | N661-E663 WeakPolarHBondContact OD1-CB 3.39Å; N661-E663 PolarHBondContact OD1-N 3.45Å; E663-C665 PolarHBondContact O-N 2.86Å; E663-G666 PolarHBondContact O-N 3.05Å; E663-T696 WeakPolarHBondContact OE1-CA 3.1Å; E663-T696 WeakPolarHBondContact OE1-CB 3.25Å; E663-E697 HydrophobicContact CG-CG 4.28Å; E663-E697 PolarHBondContact OE1-N 3.32Å |
| 664 | E | 75.9 | Confident | 84.8 | Confident | 164 Ų | 164 | 58.5 Ų | 58.5 | 77% | 0.766 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.5 | 169.7 | -79 | 176.4 | -132.4 | 0 | 0 | 112.6 | N661 G666 | N661-E664 HydrophobicContact CB-CB 4.16Å; N661-E664 HydrophobicContact CB-CG 4.32Å; N661-E664 WeakPolarHBondContact ND2-CG 3.39Å; N661-E664 PolarHBondContact ND2-OE1 3.19Å; N661-E664 PolarHBondContact OD1-N 3.18Å; E664-G666 VanDerWaalsContact C-N 3.33Å |
| 665 | C | 71.8 | Confident | 84 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.2 | 178.4 | -67.3 | 0 | 0 | 0 | 0 | 114.1 | W656 N661 I662 E663 L667 | W656-C665 HydrophobicContact CH2-CB 4.24Å; N661-C665 PolarHBondContact O-N 2.96Å; N661-C665 PolarHBondContact O-SG 3.3Å; I662-C665 PolarHBondContact O-N 3.36Å; E663-C665 PolarHBondContact O-N 2.86Å; C665-L667 VanDerWaalsContact C-N 3.26Å; C665-L667 HydrophobicContact CB-CD1 3.92Å; C665-L667 HydrophobicContact CB-CG 4.07Å; C665-L667 PolarHBondContact O-N 3.32Å |
| 666 | G | 71.8 | Confident | 83 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 28.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I662 E663 E664 E668 | I662-G666 PolarHBondContact O-N 3.38Å; E663-G666 PolarHBondContact O-N 3.05Å; E664-G666 VanDerWaalsContact C-N 3.33Å; G666-E668 PolarHBondContact O-N 2.74Å |
| 667 | L | 74.5 | Confident | 81.6 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 38% | 0.382 | 34% | 0.341 | S | S | . | . | trans | -82.9 | 91.4 | -177.6 | -77.9 | 166.8 | 0 | 0 | 0 | 111.2 | W656 I662 C665 M669 | W656-L667 HydrophobicContact CH2-CD1 3.66Å; W656-L667 HydrophobicContact CZ3-CD1 3.4Å; W656-L667 VanDerWaalsContact CZ3-CD1 3.4Å; I662-L667 PolarHBondContact O-N 3.02Å; C665-L667 VanDerWaalsContact C-N 3.26Å; C665-L667 HydrophobicContact CB-CD1 3.92Å; C665-L667 HydrophobicContact CB-CG 4.07Å; C665-L667 PolarHBondContact O-N 3.32Å; L667-M669 HydrophobicContact CB-CG 4.32Å; L667-M669 HydrophobicContact CB-SD 4.05Å; L667-M669 PolarHBondContact O-N 3.36Å | ||
| 668 | E | 80.1 | Confident | 80 | Confident | 155 Ų | 155 | 72.6 Ų | 72.6 | 72% | 0.724 | 38% | 0.379 | S | S | * | . | trans | -60.9 | 100.6 | 169.5 | -69.5 | -178.5 | 173.4 | 0 | 0 | 110.2 | K75 G666 | K75-E668 PolarHBondContact NZ-O 3.14Å; G666-E668 PolarHBondContact O-N 2.74Å | ||
| 669 | M | 87.6 | Confident | 78.4 | Confident | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | trans | -127.4 | 147 | -179.5 | -72.1 | 171.6 | 55.6 | 0 | 0 | 109.1 | I657 L667 P694 V695 Y703 | I657-M669 HydrophobicContact CD1-CE 3.75Å; I657-M669 HydrophobicContact CG1-CE 4.21Å; I657-M669 HydrophobicContact CG2-CE 4.24Å; L667-M669 HydrophobicContact CB-CG 4.32Å; L667-M669 HydrophobicContact CB-SD 4.05Å; L667-M669 PolarHBondContact O-N 3.36Å; M669-P694 CarbonylContact O-C 3.52Å; M669-P694 WeakPolarHBondContact O-CA 3.26Å; M669-V695 HydrophobicContact CB-CB 3.9Å; M669-V695 HydrophobicContact CB-CG2 3.82Å; M669-V695 PolarHBondContact O-N 3.08Å; M669-Y703 HydrophobicContact CE-CD1 3.92Å; M669-Y703 HydrophobicContact CE-CE1 3.27Å | ||
| 670 | F | 92.7 | Very high | 77 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -131.1 | 166.5 | 179.8 | -67.1 | -91.9 | 0 | 0 | 0 | 109.5 | S672 G691 I693 P694 Y703 | F670-S672 PolarHBondContact O-N 3.38Å; F670-G691 WeakPolarHBondContact CD1-O 3.23Å; F670-I693 CarbonylContact C-O 3.55Å; F670-I693 VanDerWaalsContact CA-O 3.24Å; F670-I693 WeakPolarHBondContact CA-O 3.33Å; F670-P694 HydrophobicContact CD1-CB 4.36Å; F670-P694 HydrophobicContact CE1-CB 4.17Å; F670-Y703 WeakPolarHBondContact O-CE2 3.23Å |
| 671 | F | 94.9 | Very high | 76.4 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -75.1 | 49.6 | 174.9 | -80.8 | -103.5 | 0 | 0 | 0 | 112.6 | L686 K687 G690 I693 V695 N699 E702 Y703 L706 | F671-L686 HydrophobicContact CB-CB 4.45Å; F671-L686 WeakPolarHBondContact O-CB 3.37Å; F671-L686 PolarHBondContact O-N 3.37Å; F671-K687 HydrophobicContact CB-CD 4.37Å; F671-K687 HydrophobicContact CB-CG 4.18Å; F671-K687 HydrophobicContact CD1-CD 3.56Å; F671-K687 VanDerWaalsContact CD1-CE 3.48Å; F671-K687 HydrophobicContact CD1-CG 4.17Å; F671-K687 HydrophobicContact CE1-CD 4.01Å; F671-K687 HydrophobicContact CG-CD 4.04Å; F671-K687 HydrophobicContact CG-CG 4.4Å; F671-G690 CarbonylContact C-O 3.48Å; F671-G690 VanDerWaalsContact C-O 3.29Å; F671-G690 VanDerWaalsContact CA-O 3.27Å; F671-G690 WeakPolarHBondContact CA-O 3.41Å; F671-G690 WeakPolarHBondContact CB-O 3.47Å; F671-G690 PolarHBondContact N-O 3.19Å; F671-G690 CarbonylContact O-C 3.6Å; F671-G690 WeakPolarHBondContact O-CA 3.39Å; F671-I693 HydrophobicContact CB-CB 4.5Å; F671-I693 HydrophobicContact CD2-CB 4.16Å; F671-I693 HydrophobicContact CD2-CG2 3.66Å; F671-I693 HydrophobicContact CE2-CG2 4.05Å; F671-I693 HydrophobicContact CG-CG2 4.45Å; F671-I693 PolarHBondContact N-O 3.37Å; F671-V695 HydrophobicContact CD2-CG2 4.03Å; F671-V695 HydrophobicContact CE2-CG2 4.04Å; F671-N699 HydrophobicContact CE2-CB 4.43Å; F671-N699 WeakPolarHBondContact CE2-OD1 3.45Å; F671-N699 HydrophobicContact CZ-CB 4.19Å; F671-E702 HydrophobicContact CE1-CB 4.09Å; F671-E702 HydrophobicContact CE1-CG 4.05Å; F671-E702 HydrophobicContact CZ-CB 4.23Å; F671-Y703 HydrophobicContact CD1-CD2 4.25Å; F671-Y703 HydrophobicContact CE1-CD2 4.5Å; F671-Y703 HydrophobicContact CG-CD2 4.34Å; F671-L706 HydrophobicContact CD1-CD1 3.89Å; F671-L706 HydrophobicContact CE1-CD1 4Å |
| 672 | S | 91.5 | Very high | 76.1 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 160.5 | 174.3 | 60.3 | 0 | 0 | 0 | 0 | 110.8 | F670 H684 | F670-S672 PolarHBondContact O-N 3.38Å; S672-H684 CarbonylContact C-O 3.58Å; S672-H684 VanDerWaalsContact CA-O 3.29Å; S672-H684 WeakPolarHBondContact CA-O 3.23Å |
| 673 | V | 88.3 | Confident | 76.2 | Confident | 11 Ų | 11 | 80.3 Ų | 80.3 | 7% | 0.067 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 138.9 | 179.3 | -76 | 0 | 0 | 0 | 0 | 110.3 | H684 L686 V707 W710 | V673-H684 HydrophobicContact CG2-CB 4.28Å; V673-H684 PolarHBondContact N-O 3.02Å; V673-H684 PolarHBondContact O-N 2.92Å; V673-L686 HydrophobicContact CG1-CD1 4.33Å; V673-L686 HydrophobicContact CG1-CD2 4.21Å; V673-L686 HydrophobicContact CG1-CG 4.49Å; V673-L686 HydrophobicContact CG2-CD2 3.69Å; V673-L686 HydrophobicContact CG2-CG 4.31Å; V673-V707 HydrophobicContact CG1-CG1 4.28Å; V673-V707 HydrophobicContact CG1-CG2 3.88Å; V673-W710 HydrophobicContact CB-CE3 4.41Å; V673-W710 HydrophobicContact CB-CH2 3.95Å; V673-W710 HydrophobicContact CB-CZ2 4.39Å; V673-W710 HydrophobicContact CB-CZ3 3.99Å; V673-W710 HydrophobicContact CG2-CD2 3.69Å; V673-W710 HydrophobicContact CG2-CE3 3.74Å; V673-W710 HydrophobicContact CG2-CG 4.39Å; V673-W710 HydrophobicContact CG2-CH2 3.55Å; V673-W710 HydrophobicContact CG2-CZ2 3.53Å; V673-W710 HydrophobicContact CG2-CZ3 3.68Å |
| 674 | D | 82.9 | Confident | 76.5 | Confident | 71 Ų | 71 | 79 Ų | 79 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 140.7 | 174.8 | -70 | -34.2 | 0 | 0 | 0 | 111.4 | V681 T683 | D674-V681 HydrophobicContact CB-CG1 3.98Å; D674-T683 WeakPolarHBondContact OD1-CA 3.42Å; D674-T683 WeakPolarHBondContact OD1-CB 3.45Å; D674-T683 PolarHBondContact OD1-OG1 3.16Å |
| 675 | K | 74.1 | Confident | 77.2 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 109 | 177.7 | -174.5 | -172.9 | 176.3 | -167.1 | 0 | 109.2 | I677 S682 W710 | K675-I677 HydrophobicContact CD-CD1 3.91Å; K675-I677 HydrophobicContact CD-CG1 4.05Å; K675-I677 HydrophobicContact CG-CD1 4.38Å; K675-I677 HydrophobicContact CG-CG1 3.98Å; K675-S682 PolarHBondContact N-O 2.58Å; K675-S682 PolarHBondContact O-N 2.87Å; K675-S682 PolarHBondContact O-OG 3.37Å; K675-W710 HydrophobicContact CB-CH2 4.03Å; K675-W710 HydrophobicContact CB-CZ2 3.87Å; K675-W710 HydrophobicContact CD-CZ2 4.22Å; K675-W710 HydrophobicContact CG-CH2 4.47Å; K675-W710 HydrophobicContact CG-CZ2 4.29Å |
| 676 | E | 66.1 | Low | 78.2 | Confident | 141 Ų | 141 | 73.5 Ų | 73.5 | 66% | 0.659 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 129 | 167.6 | -165.4 | -179.9 | 158.5 | 0 | 0 | 109.9 | E680 V681 | E676-E680 CarbonylContact C-O 3.59Å; E676-E680 WeakPolarHBondContact CA-O 3.44Å; E676-V681 HydrophobicContact CB-CG2 4.49Å; E676-V681 HydrophobicContact CG-CG2 4.33Å |
| 677 | I | 57.9 | Low | 79.2 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 33% | 0.328 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 114.6 | 172.8 | -53.2 | 179.4 | 0 | 0 | 0 | 107.1 | K675 G679 E680 | K675-I677 HydrophobicContact CD-CD1 3.91Å; K675-I677 HydrophobicContact CD-CG1 4.05Å; K675-I677 HydrophobicContact CG-CD1 4.38Å; K675-I677 HydrophobicContact CG-CG1 3.98Å; I677-G679 PolarHBondContact O-N 3.04Å; I677-G679 VanDerWaalsContact O-N 3.07Å; I677-E680 PolarHBondContact N-O 2.73Å; I677-E680 PolarHBondContact O-N 3.26Å |
| 678 | L | 56.8 | Low | 80.1 | Confident | 158 Ų | 158 | 74.9 Ų | 74.9 | 83% | 0.827 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 28.5 | 177.5 | -57 | 172.3 | 0 | 0 | 0 | 114.4 | ||
| 679 | G | 56.3 | Low | 80.7 | Confident | 54 Ų | 54 | 72 Ų | 72 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | -4.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I677 | I677-G679 PolarHBondContact O-N 3.04Å; I677-G679 VanDerWaalsContact O-N 3.07Å |
| 680 | E | 57.1 | Low | 80.9 | Confident | 153 Ų | 153 | 71.1 Ų | 71.1 | 72% | 0.715 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.7 | 172.6 | -173.8 | 170 | -170 | 0 | 0 | 110.1 | E676 I677 | E676-E680 CarbonylContact C-O 3.59Å; E676-E680 WeakPolarHBondContact CA-O 3.44Å; I677-E680 PolarHBondContact N-O 2.73Å; I677-E680 PolarHBondContact O-N 3.26Å |
| 681 | V | 74.5 | Confident | 80.8 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | D674 E676 | D674-V681 HydrophobicContact CB-CG1 3.98Å; E676-V681 HydrophobicContact CB-CG2 4.49Å; E676-V681 HydrophobicContact CG-CG2 4.33Å |
| 682 | S | 78.3 | Confident | 80.6 | Confident | 48 Ų | 48 | 74 Ų | 74 | 34% | 0.336 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.2 | 180 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | K675 | K675-S682 PolarHBondContact N-O 2.58Å; K675-S682 PolarHBondContact O-N 2.87Å; K675-S682 PolarHBondContact O-OG 3.37Å |
| 683 | T | 86.2 | Confident | 80.8 | Confident | 97 Ų | 97 | 75 Ų | 75 | 60% | 0.595 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.3 | 176.7 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | D674 | D674-T683 WeakPolarHBondContact OD1-CA 3.42Å; D674-T683 WeakPolarHBondContact OD1-CB 3.45Å; D674-T683 PolarHBondContact OD1-OG1 3.16Å |
| 684 | H | 86.5 | Confident | 81 | Confident | 87 Ų | 87 | 77.7 Ų | 77.7 | 40% | 0.403 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.5 | -179.8 | 177.4 | -69.7 | 0 | 0 | 0 | 110.1 | S672 V673 W710 | S672-H684 CarbonylContact C-O 3.58Å; S672-H684 VanDerWaalsContact CA-O 3.29Å; S672-H684 WeakPolarHBondContact CA-O 3.23Å; V673-H684 HydrophobicContact CG2-CB 4.28Å; V673-H684 PolarHBondContact N-O 3.02Å; V673-H684 PolarHBondContact O-N 2.92Å; H684-W710 HydrophobicContact CB-CZ2 4.3Å; H684-W710 AromaticContact CD2-NE1 3.48Å; H684-W710 PolarHBondContact CD2-NE1 2.86Å; H684-W710 AromaticContact CE1-CD1 3.44Å; H684-W710 VanDerWaalsContact CE1-CD1 3.44Å; H684-W710 AromaticContact CE1-NE1 3.56Å; H684-W710 AromaticContact CG-NE1 3.35Å; H684-W710 VanDerWaalsContact CG-NE1 3.35Å; H684-W710 AromaticContact ND1-CD1 3.6Å; H684-W710 AromaticContact ND1-NE1 3.38Å; H684-W710 PolarHBondContact ND1-NE1 2.89Å; H684-W710 AromaticContact NE2-CD1 3.72Å; H684-W710 AromaticContact NE2-NE1 3.58Å |
| 685 | E | 92 | Very high | 81.5 | Confident | 87 Ų | 87 | 74.8 Ų | 74.8 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.8 | 173.3 | -56.9 | -156.8 | 128.5 | 0 | 0 | 111.2 | K687 D689 G690 G691 | E685-K687 VanDerWaalsContact C-N 3.33Å; E685-K687 WeakPolarHBondContact CB-O 3.26Å; E685-D689 PolarHBondContact OE2-N 3.05Å; E685-G690 PolarHBondContact OE1-N 3.1Å; E685-G691 PolarHBondContact OE1-N 3.1Å |
| 686 | L | 92.1 | Very high | 82.4 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 9% | 0.094 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -76.5 | -24 | -179.8 | -64.4 | 171.8 | 0 | 0 | 0 | 112.9 | F671 V673 Y703 L706 V707 W710 | F671-L686 HydrophobicContact CB-CB 4.45Å; F671-L686 WeakPolarHBondContact O-CB 3.37Å; F671-L686 PolarHBondContact O-N 3.37Å; V673-L686 HydrophobicContact CG1-CD1 4.33Å; V673-L686 HydrophobicContact CG1-CD2 4.21Å; V673-L686 HydrophobicContact CG1-CG 4.49Å; V673-L686 HydrophobicContact CG2-CD2 3.69Å; V673-L686 HydrophobicContact CG2-CG 4.31Å; L686-Y703 HydrophobicContact CD1-CD2 3.55Å; L686-Y703 HydrophobicContact CD1-CE2 3.47Å; L686-Y703 VanDerWaalsContact CD1-CE2 3.47Å; L686-L706 HydrophobicContact CB-CB 4.04Å; L686-L706 HydrophobicContact CB-CD1 4.16Å; L686-L706 HydrophobicContact CD1-CB 4.37Å; L686-L706 HydrophobicContact CD2-CB 4.39Å; L686-V707 HydrophobicContact CD1-CG2 3.39Å; L686-V707 HydrophobicContact CD2-CG2 4.11Å; L686-V707 HydrophobicContact CG-CG2 4.4Å; L686-W710 HydrophobicContact CD2-CB 4.18Å; L686-W710 HydrophobicContact CD2-CG 4.36Å |
| 687 | K | 92.7 | Very high | 83.6 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -151.8 | 164.1 | 175.3 | 70.8 | -166.3 | -170.5 | -167.2 | 0 | 108.6 | F671 E685 D689 G690 I693 E702 L706 | F671-K687 HydrophobicContact CB-CD 4.37Å; F671-K687 HydrophobicContact CB-CG 4.18Å; F671-K687 HydrophobicContact CD1-CD 3.56Å; F671-K687 VanDerWaalsContact CD1-CE 3.48Å; F671-K687 HydrophobicContact CD1-CG 4.17Å; F671-K687 HydrophobicContact CE1-CD 4.01Å; F671-K687 HydrophobicContact CG-CD 4.04Å; F671-K687 HydrophobicContact CG-CG 4.4Å; E685-K687 VanDerWaalsContact C-N 3.33Å; E685-K687 WeakPolarHBondContact CB-O 3.26Å; K687-D689 PolarHBondContact O-N 2.9Å; K687-G690 WeakPolarHBondContact O-CA 3.45Å; K687-G690 PolarHBondContact O-N 2.84Å; K687-I693 HydrophobicContact CG-CD1 4.41Å; K687-E702 WeakPolarHBondContact CD-OE1 3.45Å; K687-E702 IonicContact NZ-OE1 2.7Å; K687-E702 PolarHBondContact NZ-OE1 2.77Å; K687-E702 IonicContact NZ-OE2 2.92Å; K687-E702 PolarHBondContact NZ-OE2 2.98Å; K687-L706 HydrophobicContact CB-CD1 4.32Å; K687-L706 HydrophobicContact CD-CD1 4.15Å |
| 688 | P | 94 | Very high | 85.2 | Confident | 119 Ų | 119 | 75.9 Ų | 75.9 | 77% | 0.773 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 133.9 | -177.8 | -25.1 | 34.9 | 0 | 0 | 0 | 112.5 | G690 | P688-G690 PolarHBondContact O-N 2.81Š|
| 689 | D | 91.9 | Very high | 87 | Confident | 95 Ų | 95 | 69.9 Ų | 69.9 | 51% | 0.508 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 18.2 | -175.5 | -158.9 | 38.5 | 0 | 0 | 0 | 113.5 | E685 K687 G691 N692 I693 | E685-D689 PolarHBondContact OE2-N 3.05Å; K687-D689 PolarHBondContact O-N 2.9Å; D689-G691 PolarHBondContact O-N 3.15Å; D689-G691 VanDerWaalsContact O-N 3.17Å; D689-N692 PolarHBondContact O-N 2.82Å; D689-N692 PolarHBondContact OD1-ND2 3.41Å; D689-I693 WeakPolarHBondContact O-CG1 3.36Å; D689-I693 PolarHBondContact O-N 2.93Å |
| 690 | G | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F671 E685 K687 P688 N692 I693 | F671-G690 CarbonylContact C-O 3.48Å; F671-G690 VanDerWaalsContact C-O 3.29Å; F671-G690 VanDerWaalsContact CA-O 3.27Å; F671-G690 WeakPolarHBondContact CA-O 3.41Å; F671-G690 WeakPolarHBondContact CB-O 3.47Å; F671-G690 PolarHBondContact N-O 3.19Å; F671-G690 CarbonylContact O-C 3.6Å; F671-G690 WeakPolarHBondContact O-CA 3.39Å; E685-G690 PolarHBondContact OE1-N 3.1Å; K687-G690 WeakPolarHBondContact O-CA 3.45Å; K687-G690 PolarHBondContact O-N 2.84Å; P688-G690 PolarHBondContact O-N 2.81Å; G690-N692 PolarHBondContact O-N 2.95Å; G690-I693 PolarHBondContact O-N 3.32Å |
| 691 | G | 90.6 | Very high | 90.4 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F670 E685 D689 | F670-G691 WeakPolarHBondContact CD1-O 3.23Å; E685-G691 PolarHBondContact OE1-N 3.1Å; D689-G691 PolarHBondContact O-N 3.15Å; D689-G691 VanDerWaalsContact O-N 3.17Å |
| 692 | N | 92.3 | Very high | 91.4 | Very high | 115 Ų | 115 | 65 Ų | 65 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -12.5 | 177.4 | -66.8 | -54.9 | 0 | 0 | 0 | 113.4 | D689 G690 P694 | D689-N692 PolarHBondContact O-N 2.82Å; D689-N692 PolarHBondContact OD1-ND2 3.41Å; G690-N692 PolarHBondContact O-N 2.95Å; N692-P694 WeakPolarHBondContact O-CD 3.33Å |
| 693 | I | 94.6 | Very high | 92 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -90.9 | 113.2 | -178.2 | -60.7 | 168.3 | 0 | 0 | 0 | 109.3 | F670 F671 K687 D689 G690 | F670-I693 CarbonylContact C-O 3.55Å; F670-I693 VanDerWaalsContact CA-O 3.24Å; F670-I693 WeakPolarHBondContact CA-O 3.33Å; F671-I693 HydrophobicContact CB-CB 4.5Å; F671-I693 HydrophobicContact CD2-CB 4.16Å; F671-I693 HydrophobicContact CD2-CG2 3.66Å; F671-I693 HydrophobicContact CE2-CG2 4.05Å; F671-I693 HydrophobicContact CG-CG2 4.45Å; F671-I693 PolarHBondContact N-O 3.37Å; K687-I693 HydrophobicContact CG-CD1 4.41Å; D689-I693 WeakPolarHBondContact O-CG1 3.36Å; D689-I693 PolarHBondContact O-N 2.93Å; G690-I693 PolarHBondContact O-N 3.32Å |
| 694 | P | 92.6 | Very high | 92.4 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -72.3 | 149.7 | 177.6 | 30.5 | -35.2 | 0 | 0 | 0 | 111.9 | M669 F670 N692 N699 | M669-P694 CarbonylContact O-C 3.52Å; M669-P694 WeakPolarHBondContact O-CA 3.26Å; F670-P694 HydrophobicContact CD1-CB 4.36Å; F670-P694 HydrophobicContact CE1-CB 4.17Å; N692-P694 WeakPolarHBondContact O-CD 3.33Å; P694-N699 PolarHBondContact O-ND2 3.26Å |
| 695 | V | 93.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | trans | -82.8 | 132.5 | 169.2 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | I662 M669 F671 N699 K700 Y703 | I662-V695 HydrophobicContact CD1-CB 4.13Å; I662-V695 HydrophobicContact CD1-CG1 3.66Å; M669-V695 HydrophobicContact CB-CB 3.9Å; M669-V695 HydrophobicContact CB-CG2 3.82Å; M669-V695 PolarHBondContact O-N 3.08Å; F671-V695 HydrophobicContact CD2-CG2 4.03Å; F671-V695 HydrophobicContact CE2-CG2 4.04Å; V695-N699 VanDerWaalsContact CA-OD1 3.26Å; V695-N699 WeakPolarHBondContact CA-OD1 3.47Å; V695-N699 WeakPolarHBondContact CG1-OD1 3.47Å; V695-K700 HydrophobicContact CG1-CB 3.85Å; V695-Y703 HydrophobicContact CG1-CD1 4.31Å; V695-Y703 HydrophobicContact CG1-CG 4.04Å; V695-Y703 HydrophobicContact CG2-CD1 4.31Å; V695-Y703 HydrophobicContact CG2-CD2 3.49Å; V695-Y703 VanDerWaalsContact CG2-CD2 3.49Å; V695-Y703 HydrophobicContact CG2-CE2 3.93Å; V695-Y703 HydrophobicContact CG2-CG 3.71Å | ||
| 696 | T | 92 | Very high | 92.5 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | trans | -133.7 | 167.5 | -178.5 | 60.2 | 0 | 0 | 0 | 0 | 109.8 | E663 D698 N699 K700 | E663-T696 WeakPolarHBondContact OE1-CA 3.1Å; E663-T696 WeakPolarHBondContact OE1-CB 3.25Å; T696-D698 PolarHBondContact O-N 3.23Å; T696-N699 PolarHBondContact N-OD1 2.97Å; T696-N699 PolarHBondContact O-N 3.31Å; T696-N699 PolarHBondContact O-OD1 2.87Å; T696-N699 PolarHBondContact OG1-ND2 3.27Å; T696-K700 WeakPolarHBondContact O-CB 3.5Å; T696-K700 PolarHBondContact O-N 3.13Å | ||
| 697 | E | 91 | Very high | 92.4 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.6 | 178.2 | -74.5 | -65.9 | 108.7 | 0 | 0 | 112.4 | N661 I662 E663 N699 K700 | N661-E697 WeakPolarHBondContact CA-OE1 3.35Å; N661-E697 WeakPolarHBondContact OD1-CG 3.27Å; I662-E697 PolarHBondContact N-OE1 2.74Å; E663-E697 HydrophobicContact CG-CG 4.28Å; E663-E697 PolarHBondContact OE1-N 3.32Å; E697-N699 VanDerWaalsContact C-N 3.3Å; E697-N699 PolarHBondContact O-N 3.29Å; E697-K700 WeakPolarHBondContact OE1-CD 3.36Å; E697-K700 IonicContact OE1-NZ 2.8Å; E697-K700 PolarHBondContact OE1-NZ 3.03Å; E697-K700 IonicContact OE2-NZ 3.76Å; E697-K700 PolarHBondContact OE2-NZ 3.45Å |
| 698 | D | 92.6 | Very high | 92.3 | Very high | 170 Ų | 170 | 55 Ų | 55 | 91% | 0.909 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.2 | 177.7 | -75.5 | -24.2 | 0 | 0 | 0 | 114.2 | T696 | T696-D698 PolarHBondContact O-N 3.23Š|
| 699 | N | 94 | Very high | 91.9 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -4.3 | -171.6 | 78.4 | 27.9 | 0 | 0 | 0 | 114.9 | F671 P694 V695 T696 E697 E701 E702 Y703 | F671-N699 HydrophobicContact CE2-CB 4.43Å; F671-N699 WeakPolarHBondContact CE2-OD1 3.45Å; F671-N699 HydrophobicContact CZ-CB 4.19Å; P694-N699 PolarHBondContact O-ND2 3.26Å; V695-N699 VanDerWaalsContact CA-OD1 3.26Å; V695-N699 WeakPolarHBondContact CA-OD1 3.47Å; V695-N699 WeakPolarHBondContact CG1-OD1 3.47Å; T696-N699 PolarHBondContact N-OD1 2.97Å; T696-N699 PolarHBondContact O-N 3.31Å; T696-N699 PolarHBondContact O-OD1 2.87Å; T696-N699 PolarHBondContact OG1-ND2 3.27Å; E697-N699 VanDerWaalsContact C-N 3.3Å; E697-N699 PolarHBondContact O-N 3.29Å; N699-E701 VanDerWaalsContact C-N 3.28Å; N699-E701 PolarHBondContact O-N 3.12Å; N699-E702 VanDerWaalsContact O-CB 3.3Å; N699-E702 WeakPolarHBondContact O-CB 3.3Å; N699-E702 PolarHBondContact O-N 3.06Å; N699-Y703 PolarHBondContact O-N 2.95Å |
| 700 | K | 93.1 | Very high | 91.7 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -30.2 | -175.2 | 70.9 | -174.5 | -175 | -178.3 | 0 | 114.7 | I657 K658 N660 I662 V695 T696 E697 E702 Y703 I704 | I657-K700 WeakPolarHBondContact O-CD 3.49Å; I657-K700 PolarHBondContact O-NZ 3.43Å; K658-K700 VanDerWaalsContact O-CE 3.29Å; K658-K700 WeakPolarHBondContact O-CE 3.47Å; K658-K700 PolarHBondContact O-NZ 3.13Å; K658-K700 VanDerWaalsContact O-NZ 3.07Å; N660-K700 PolarHBondContact O-NZ 2.9Å; I662-K700 HydrophobicContact CD1-CB 4.22Å; I662-K700 HydrophobicContact CG2-CD 4.46Å; V695-K700 HydrophobicContact CG1-CB 3.85Å; T696-K700 WeakPolarHBondContact O-CB 3.5Å; T696-K700 PolarHBondContact O-N 3.13Å; E697-K700 WeakPolarHBondContact OE1-CD 3.36Å; E697-K700 IonicContact OE1-NZ 2.8Å; E697-K700 PolarHBondContact OE1-NZ 3.03Å; E697-K700 IonicContact OE2-NZ 3.76Å; E697-K700 PolarHBondContact OE2-NZ 3.45Å; K700-E702 VanDerWaalsContact C-N 3.33Å; K700-E702 PolarHBondContact O-N 2.94Å; K700-Y703 WeakPolarHBondContact O-CB 3.31Å; K700-Y703 PolarHBondContact O-N 3.28Å; K700-I704 WeakPolarHBondContact O-CB 3.47Å; K700-I704 WeakPolarHBondContact O-CD1 3.29Å; K700-I704 WeakPolarHBondContact O-CG1 3.4Å; K700-I704 PolarHBondContact O-N 2.85Å |
| 701 | E | 92.6 | Very high | 91.4 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 174.1 | -70.4 | -76 | -167.2 | 0 | 0 | 112.2 | K658 N699 R705 | K658-E701 WeakPolarHBondContact CE-OE1 3.27Å; K658-E701 WeakPolarHBondContact CG-OE1 3.4Å; N699-E701 VanDerWaalsContact C-N 3.28Å; N699-E701 PolarHBondContact O-N 3.12Å; E701-R705 VanDerWaalsContact O-CB 3.32Å; E701-R705 WeakPolarHBondContact O-CB 3.28Å; E701-R705 PolarHBondContact O-N 3.31Å |
| 702 | E | 93.9 | Very high | 91.1 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 172.5 | -167.6 | -154.7 | 158.1 | 0 | 0 | 110.6 | F671 K687 N699 K700 R705 L706 | F671-E702 HydrophobicContact CE1-CB 4.09Å; F671-E702 HydrophobicContact CE1-CG 4.05Å; F671-E702 HydrophobicContact CZ-CB 4.23Å; K687-E702 WeakPolarHBondContact CD-OE1 3.45Å; K687-E702 IonicContact NZ-OE1 2.7Å; K687-E702 PolarHBondContact NZ-OE1 2.77Å; K687-E702 IonicContact NZ-OE2 2.92Å; K687-E702 PolarHBondContact NZ-OE2 2.98Å; N699-E702 VanDerWaalsContact O-CB 3.3Å; N699-E702 WeakPolarHBondContact O-CB 3.3Å; N699-E702 PolarHBondContact O-N 3.06Å; K700-E702 VanDerWaalsContact C-N 3.33Å; K700-E702 PolarHBondContact O-N 2.94Å; E702-R705 PolarHBondContact O-N 3.12Å; E702-L706 HydrophobicContact CG-CD1 4.15Å; E702-L706 WeakPolarHBondContact O-CB 3.48Å; E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.44Å |
| 703 | Y | 92.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 4% | 0.039 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -53.1 | 175.8 | 175.4 | -98.4 | 0 | 0 | 0 | 111.3 | I657 M669 F670 F671 L686 V695 N699 K700 R705 L706 V707 | I657-Y703 HydrophobicContact CD1-CE1 4.48Å; M669-Y703 HydrophobicContact CE-CD1 3.92Å; M669-Y703 HydrophobicContact CE-CE1 3.27Å; F670-Y703 WeakPolarHBondContact O-CE2 3.23Å; F671-Y703 HydrophobicContact CD1-CD2 4.25Å; F671-Y703 HydrophobicContact CE1-CD2 4.5Å; F671-Y703 HydrophobicContact CG-CD2 4.34Å; L686-Y703 HydrophobicContact CD1-CD2 3.55Å; L686-Y703 HydrophobicContact CD1-CE2 3.47Å; L686-Y703 VanDerWaalsContact CD1-CE2 3.47Å; V695-Y703 HydrophobicContact CG1-CD1 4.31Å; V695-Y703 HydrophobicContact CG1-CG 4.04Å; V695-Y703 HydrophobicContact CG2-CD1 4.31Å; V695-Y703 HydrophobicContact CG2-CD2 3.49Å; V695-Y703 VanDerWaalsContact CG2-CD2 3.49Å; V695-Y703 HydrophobicContact CG2-CE2 3.93Å; V695-Y703 HydrophobicContact CG2-CG 3.71Å; N699-Y703 PolarHBondContact O-N 2.95Å; K700-Y703 WeakPolarHBondContact O-CB 3.31Å; K700-Y703 PolarHBondContact O-N 3.28Å; Y703-R705 VanDerWaalsContact C-N 3.29Å; Y703-R705 PolarHBondContact O-N 3.35Å; Y703-L706 PolarHBondContact O-N 3.49Å; Y703-V707 HydrophobicContact CD1-CG2 4.1Å; Y703-V707 HydrophobicContact CD2-CG2 3.99Å; Y703-V707 HydrophobicContact CE1-CG2 3.74Å; Y703-V707 HydrophobicContact CE2-CG2 3.62Å; Y703-V707 HydrophobicContact CG-CG2 4.22Å; Y703-V707 VanDerWaalsContact CZ-CG2 3.49Å; Y703-V707 WeakPolarHBondContact O-CB 3.32Å; Y703-V707 VanDerWaalsContact O-CG2 3.3Å; Y703-V707 WeakPolarHBondContact O-CG2 3.35Å; Y703-V707 PolarHBondContact O-N 3.35Å |
| 704 | I | 92.6 | Very high | 90 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.1 | -44.9 | 178.6 | -70 | 158.3 | 0 | 0 | 0 | 110.9 | L640 L654 I657 K658 K700 A708 | L640-I704 HydrophobicContact CD1-CG2 3.83Å; L640-I704 HydrophobicContact CD2-CG2 3.64Å; L640-I704 HydrophobicContact CG-CG2 4.27Å; L654-I704 HydrophobicContact CB-CG2 4.32Å; L654-I704 HydrophobicContact CD1-CG2 4.48Å; L654-I704 HydrophobicContact CD2-CG1 4.48Å; I657-I704 HydrophobicContact CG2-CD1 4.06Å; I657-I704 HydrophobicContact CG2-CG1 4.08Å; K658-I704 HydrophobicContact CB-CD1 3.69Å; K658-I704 HydrophobicContact CG-CD1 4Å; K700-I704 WeakPolarHBondContact O-CB 3.47Å; K700-I704 WeakPolarHBondContact O-CD1 3.29Å; K700-I704 WeakPolarHBondContact O-CG1 3.4Å; K700-I704 PolarHBondContact O-N 2.85Å; I704-A708 WeakPolarHBondContact O-CB 3.47Å; I704-A708 PolarHBondContact O-N 3.32Å |
| 705 | R | 90.8 | Very high | 89.5 | Confident | 133 Ų | 133 | 45.9 Ų | 45.9 | 50% | 0.502 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.2 | -49.4 | 178 | -168 | -163.2 | 68.4 | 69 | 4.9 | 111.8 | E701 E702 Y703 A708 E709 | E701-R705 VanDerWaalsContact O-CB 3.32Å; E701-R705 WeakPolarHBondContact O-CB 3.28Å; E701-R705 PolarHBondContact O-N 3.31Å; E702-R705 PolarHBondContact O-N 3.12Å; Y703-R705 VanDerWaalsContact C-N 3.29Å; Y703-R705 PolarHBondContact O-N 3.35Å; R705-A708 PolarHBondContact O-N 3.45Å; R705-E709 IonicContact CZ-OE2 2.64Å; R705-E709 IonicContact NH1-OE2 3.05Å; R705-E709 PolarHBondContact NH1-OE2 2.72Å; R705-E709 IonicContact NH2-OE2 3.61Å; R705-E709 WeakPolarHBondContact O-CB 3.29Å; R705-E709 PolarHBondContact O-N 3.43Å |
| 706 | L | 91.4 | Very high | 89.2 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -42 | 179.8 | -73.9 | 167.5 | 0 | 0 | 0 | 112.3 | F671 L686 K687 E702 Y703 E709 W710 | F671-L706 HydrophobicContact CD1-CD1 3.89Å; F671-L706 HydrophobicContact CE1-CD1 4Å; L686-L706 HydrophobicContact CB-CB 4.04Å; L686-L706 HydrophobicContact CB-CD1 4.16Å; L686-L706 HydrophobicContact CD1-CB 4.37Å; L686-L706 HydrophobicContact CD2-CB 4.39Å; K687-L706 HydrophobicContact CB-CD1 4.32Å; K687-L706 HydrophobicContact CD-CD1 4.15Å; E702-L706 HydrophobicContact CG-CD1 4.15Å; E702-L706 WeakPolarHBondContact O-CB 3.48Å; E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.44Å; Y703-L706 PolarHBondContact O-N 3.49Å; L706-E709 PolarHBondContact O-N 2.9Å; L706-W710 VanDerWaalsContact O-CB 3.25Å; L706-W710 WeakPolarHBondContact O-CB 3.49Å; L706-W710 PolarHBondContact O-N 2.86Å |
| 707 | V | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.3 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | F650 L654 V673 L686 Y703 R711 | F650-V707 HydrophobicContact CE1-CG1 3.59Å; F650-V707 HydrophobicContact CZ-CG1 3.45Å; F650-V707 VanDerWaalsContact CZ-CG1 3.45Å; L654-V707 HydrophobicContact CD1-CB 4.46Å; L654-V707 HydrophobicContact CD1-CG1 4.18Å; L654-V707 HydrophobicContact CD2-CB 4.23Å; L654-V707 HydrophobicContact CD2-CG1 3.96Å; V673-V707 HydrophobicContact CG1-CG1 4.28Å; V673-V707 HydrophobicContact CG1-CG2 3.88Å; L686-V707 HydrophobicContact CD1-CG2 3.39Å; L686-V707 HydrophobicContact CD2-CG2 4.11Å; L686-V707 HydrophobicContact CG-CG2 4.4Å; Y703-V707 HydrophobicContact CD1-CG2 4.1Å; Y703-V707 HydrophobicContact CD2-CG2 3.99Å; Y703-V707 HydrophobicContact CE1-CG2 3.74Å; Y703-V707 HydrophobicContact CE2-CG2 3.62Å; Y703-V707 HydrophobicContact CG-CG2 4.22Å; Y703-V707 VanDerWaalsContact CZ-CG2 3.49Å; Y703-V707 WeakPolarHBondContact O-CB 3.32Å; Y703-V707 VanDerWaalsContact O-CG2 3.3Å; Y703-V707 WeakPolarHBondContact O-CG2 3.35Å; Y703-V707 PolarHBondContact O-N 3.35Å; V707-R711 WeakPolarHBondContact O-CB 3.37Å; V707-R711 PolarHBondContact O-N 2.75Å |
| 708 | A | 89.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -46.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L640 L643 L654 I704 R705 W710 R711 L712 | L640-A708 HydrophobicContact CD1-CB 4.06Å; L643-A708 HydrophobicContact CD2-CB 4.25Å; L654-A708 HydrophobicContact CD1-CB 4.18Å; I704-A708 WeakPolarHBondContact O-CB 3.47Å; I704-A708 PolarHBondContact O-N 3.32Å; R705-A708 PolarHBondContact O-N 3.45Å; A708-W710 VanDerWaalsContact C-N 3.33Å; A708-W710 PolarHBondContact O-N 3.04Å; A708-R711 PolarHBondContact O-N 3.07Å; A708-L712 WeakPolarHBondContact O-CB 3.24Å; A708-L712 VanDerWaalsContact O-CG 3.27Å; A708-L712 WeakPolarHBondContact O-CG 3.31Å; A708-L712 PolarHBondContact O-N 3.01Å; A708-L712 VanDerWaalsContact O-N 3.08Å |
| 709 | E | 86.4 | Confident | 89.1 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 176.1 | -179.8 | 169.9 | -154 | 0 | 0 | 111.7 | R705 L706 S713 | R705-E709 IonicContact CZ-OE2 2.64Å; R705-E709 IonicContact NH1-OE2 3.05Å; R705-E709 PolarHBondContact NH1-OE2 2.72Å; R705-E709 IonicContact NH2-OE2 3.61Å; R705-E709 WeakPolarHBondContact O-CB 3.29Å; R705-E709 PolarHBondContact O-N 3.43Å; L706-E709 PolarHBondContact O-N 2.9Å; E709-S713 WeakPolarHBondContact O-CB 3.48Å; E709-S713 PolarHBondContact O-N 3.16Å; E709-S713 PolarHBondContact O-OG 3.1Å |
| 710 | W | 87.2 | Confident | 89 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 10% | 0.095 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -51.2 | 174.8 | 176.6 | 87.3 | 0 | 0 | 0 | 112.9 | V673 K675 H684 L686 L706 A708 L712 S713 R714 | V673-W710 HydrophobicContact CB-CE3 4.41Å; V673-W710 HydrophobicContact CB-CH2 3.95Å; V673-W710 HydrophobicContact CB-CZ2 4.39Å; V673-W710 HydrophobicContact CB-CZ3 3.99Å; V673-W710 HydrophobicContact CG2-CD2 3.69Å; V673-W710 HydrophobicContact CG2-CE3 3.74Å; V673-W710 HydrophobicContact CG2-CG 4.39Å; V673-W710 HydrophobicContact CG2-CH2 3.55Å; V673-W710 HydrophobicContact CG2-CZ2 3.53Å; V673-W710 HydrophobicContact CG2-CZ3 3.68Å; K675-W710 HydrophobicContact CB-CH2 4.03Å; K675-W710 HydrophobicContact CB-CZ2 3.87Å; K675-W710 HydrophobicContact CD-CZ2 4.22Å; K675-W710 HydrophobicContact CG-CH2 4.47Å; K675-W710 HydrophobicContact CG-CZ2 4.29Å; H684-W710 HydrophobicContact CB-CZ2 4.3Å; H684-W710 AromaticContact CD2-NE1 3.48Å; H684-W710 PolarHBondContact CD2-NE1 2.86Å; H684-W710 AromaticContact CE1-CD1 3.44Å; H684-W710 VanDerWaalsContact CE1-CD1 3.44Å; H684-W710 AromaticContact CE1-NE1 3.56Å; H684-W710 AromaticContact CG-NE1 3.35Å; H684-W710 VanDerWaalsContact CG-NE1 3.35Å; H684-W710 AromaticContact ND1-CD1 3.6Å; H684-W710 AromaticContact ND1-NE1 3.38Å; H684-W710 PolarHBondContact ND1-NE1 2.89Å; H684-W710 AromaticContact NE2-CD1 3.72Å; H684-W710 AromaticContact NE2-NE1 3.58Å; L686-W710 HydrophobicContact CD2-CB 4.18Å; L686-W710 HydrophobicContact CD2-CG 4.36Å; L706-W710 VanDerWaalsContact O-CB 3.25Å; L706-W710 WeakPolarHBondContact O-CB 3.49Å; L706-W710 PolarHBondContact O-N 2.86Å; A708-W710 VanDerWaalsContact C-N 3.33Å; A708-W710 PolarHBondContact O-N 3.04Å; W710-L712 PolarHBondContact O-N 3.11Å; W710-S713 PolarHBondContact O-N 3.08Å; W710-R714 HydrophobicContact CD2-CB 4.4Å; W710-R714 VanDerWaalsContact O-CB 3.26Å; W710-R714 WeakPolarHBondContact O-CB 3.48Å; W710-R714 WeakPolarHBondContact O-CG 3.25Å; W710-R714 PolarHBondContact O-N 3.15Å |
| 711 | R | 85.4 | Confident | 89 | Confident | 25 Ų | 25 | 48 Ų | 48 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -33.5 | -176.8 | 172.8 | 60.9 | -170.4 | 90.6 | -3.7 | 111.8 | L643 D647 F650 V707 A708 | L643-R711 HydrophobicContact CD1-CG 3.65Å; L643-R711 HydrophobicContact CD2-CB 4.26Å; L643-R711 HydrophobicContact CD2-CG 4.01Å; L643-R711 HydrophobicContact CG-CG 4.48Å; D647-R711 IonicContact OD2-CZ 3.57Å; D647-R711 IonicContact OD2-NE 3.53Å; D647-R711 PolarHBondContact OD2-NE 2.93Å; D647-R711 IonicContact OD2-NH2 2.72Å; D647-R711 PolarHBondContact OD2-NH2 3.27Å; F650-R711 HydrophobicContact CD1-CB 4.42Å; F650-R711 HydrophobicContact CD1-CG 3.88Å; F650-R711 HydrophobicContact CE1-CB 3.69Å; F650-R711 HydrophobicContact CE1-CG 3.61Å; F650-R711 HydrophobicContact CE2-CG 4.5Å; F650-R711 HydrophobicContact CG-CG 4.39Å; F650-R711 HydrophobicContact CZ-CB 3.95Å; F650-R711 HydrophobicContact CZ-CG 3.96Å; V707-R711 WeakPolarHBondContact O-CB 3.37Å; V707-R711 PolarHBondContact O-N 2.75Å; A708-R711 PolarHBondContact O-N 3.07Å |
| 712 | L | 83.4 | Confident | 89.2 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -77.6 | -34.8 | 176.9 | -69.5 | 170.2 | 0 | 0 | 0 | 112.9 | R632 L638 D642 L643 I646 A708 W710 | R632-L712 PolarHBondContact NH1-O 3.25Å; R632-L712 PolarHBondContact NH2-O 2.85Å; L638-L712 HydrophobicContact CB-CD1 3.75Å; L638-L712 HydrophobicContact CD1-CB 3.83Å; L638-L712 HydrophobicContact CD1-CD1 3.97Å; L638-L712 HydrophobicContact CD1-CG 4.45Å; L638-L712 HydrophobicContact CG-CD1 4.46Å; D642-L712 HydrophobicContact CB-CD1 4.24Å; L643-L712 HydrophobicContact CB-CD1 4.49Å; L643-L712 HydrophobicContact CB-CD2 4.34Å; L643-L712 HydrophobicContact CD1-CD2 3.73Å; L643-L712 HydrophobicContact CD1-CG 4.13Å; I646-L712 HydrophobicContact CB-CD2 4.44Å; I646-L712 HydrophobicContact CD1-CD2 3.79Å; I646-L712 HydrophobicContact CG2-CD2 4.46Å; A708-L712 WeakPolarHBondContact O-CB 3.24Å; A708-L712 VanDerWaalsContact O-CG 3.27Å; A708-L712 WeakPolarHBondContact O-CG 3.31Å; A708-L712 PolarHBondContact O-N 3.01Å; A708-L712 VanDerWaalsContact O-N 3.08Å; W710-L712 PolarHBondContact O-N 3.11Å |
| 713 | S | 82.7 | Confident | 89.2 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 26% | 0.259 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -103.3 | -20.4 | -168.1 | -51 | 0 | 0 | 0 | 0 | 115.6 | R632 E709 W710 G715 V716 | R632-S713 PolarHBondContact NH2-OG 2.82Å; E709-S713 WeakPolarHBondContact O-CB 3.48Å; E709-S713 PolarHBondContact O-N 3.16Å; E709-S713 PolarHBondContact O-OG 3.1Å; W710-S713 PolarHBondContact O-N 3.08Å; S713-G715 PolarHBondContact O-N 3.14Å; S713-V716 VanDerWaalsContact O-CG2 3.23Å; S713-V716 WeakPolarHBondContact O-CG2 3.32Å; S713-V716 PolarHBondContact O-N 3.11Å |
| 714 | R | 82.6 | Confident | 89.2 | Confident | 65 Ų | 65 | 40.9 Ų | 40.9 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 120.8 | -174 | 62.8 | -176.1 | -165.5 | 171.7 | 6.7 | 114.1 | W710 V716 E717 | W710-R714 HydrophobicContact CD2-CB 4.4Å; W710-R714 VanDerWaalsContact O-CB 3.26Å; W710-R714 WeakPolarHBondContact O-CB 3.48Å; W710-R714 WeakPolarHBondContact O-CG 3.25Å; W710-R714 PolarHBondContact O-N 3.15Å; R714-V716 VanDerWaalsContact C-N 3.27Å; R714-V716 PolarHBondContact O-N 2.86Å; R714-E717 WeakPolarHBondContact CA-OE1 3.41Å |
| 715 | G | 80.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 13.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P592 S713 E717 Q719 | P592-G715 WeakPolarHBondContact CA-O 3.33Å; S713-G715 PolarHBondContact O-N 3.14Å; G715-E717 WeakPolarHBondContact CA-OE2 3.27Å; G715-E717 VanDerWaalsContact N-CD 3.27Å; G715-E717 PolarHBondContact N-OE1 3Å; G715-E717 PolarHBondContact N-OE2 2.89Å; G715-Q719 PolarHBondContact O-NE2 2.81Å; G715-Q719 PolarHBondContact O-OE1 2.78Å |
| 716 | V | 88.4 | Confident | 89.6 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | trans | -119.2 | 10.2 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | I590 P592 S713 R714 Q719 T720 | I590-V716 HydrophobicContact CB-CB 4.01Å; I590-V716 HydrophobicContact CB-CG1 3.8Å; I590-V716 HydrophobicContact CD1-CB 4.39Å; I590-V716 HydrophobicContact CG2-CB 3.83Å; I590-V716 HydrophobicContact CG2-CG1 3.65Å; I590-V716 WeakPolarHBondContact O-CG1 3.45Å; P592-V716 HydrophobicContact CB-CG1 4.23Å; P592-V716 HydrophobicContact CG-CG1 3.95Å; S713-V716 VanDerWaalsContact O-CG2 3.23Å; S713-V716 WeakPolarHBondContact O-CG2 3.32Å; S713-V716 PolarHBondContact O-N 3.11Å; R714-V716 VanDerWaalsContact C-N 3.27Å; R714-V716 PolarHBondContact O-N 2.86Å; V716-Q719 PolarHBondContact O-OE1 2.74Å; V716-T720 WeakPolarHBondContact O-CB 3.47Å; V716-T720 PolarHBondContact O-N 3.23Å; V716-T720 PolarHBondContact O-OG1 2.84Å | ||
| 717 | E | 88.2 | Confident | 89.8 | Confident | 105 Ų | 105 | 37.3 Ų | 37.3 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68.8 | -49.7 | -170.8 | -56.7 | 85.4 | 169.6 | 0 | 0 | 112 | R714 G715 Q719 T720 Q721 | R714-E717 WeakPolarHBondContact CA-OE1 3.41Å; G715-E717 WeakPolarHBondContact CA-OE2 3.27Å; G715-E717 VanDerWaalsContact N-CD 3.27Å; G715-E717 PolarHBondContact N-OE1 3Å; G715-E717 PolarHBondContact N-OE2 2.89Å; E717-Q719 PolarHBondContact O-N 2.83Å; E717-T720 PolarHBondContact O-N 3.48Å; E717-Q721 WeakPolarHBondContact O-CB 3.35Å; E717-Q721 PolarHBondContact O-N 2.86Å |
| 718 | E | 92.6 | Very high | 89.9 | Confident | 128 Ų | 128 | 40 Ų | 40 | 60% | 0.598 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.8 | -39.1 | 178.8 | -63.1 | -169.7 | 162.5 | 0 | 0 | 112 | L601 Q721 A722 | L601-E718 HydrophobicContact CD1-CB 4.45Å; L601-E718 HydrophobicContact CD2-CB 3.88Å; E718-Q721 PolarHBondContact O-N 2.96Å; E718-A722 WeakPolarHBondContact O-CB 3.39Å; E718-A722 PolarHBondContact O-N 3.42Å |
| 719 | Q | 93.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.6 | -59.5 | 91.3 | -34.8 | 0 | 0 | 110.8 | I590 S594 L601 F604 G715 V716 E717 F723 | I590-Q719 HydrophobicContact CD1-CB 4.23Å; I590-Q719 HydrophobicContact CG2-CB 3.74Å; I590-Q719 HydrophobicContact CG2-CG 3.96Å; S594-Q719 WeakPolarHBondContact OG-CG 3.25Å; S594-Q719 PolarHBondContact OG-NE2 3.02Å; L601-Q719 HydrophobicContact CD2-CG 4.27Å; F604-Q719 HydrophobicContact CD1-CB 4.38Å; F604-Q719 HydrophobicContact CD2-CB 3.59Å; F604-Q719 HydrophobicContact CD2-CG 3.71Å; F604-Q719 HydrophobicContact CE1-CB 4.38Å; F604-Q719 HydrophobicContact CE2-CB 3.59Å; F604-Q719 HydrophobicContact CE2-CG 3.38Å; F604-Q719 HydrophobicContact CG-CB 4.03Å; F604-Q719 HydrophobicContact CZ-CB 4Å; F604-Q719 HydrophobicContact CZ-CG 4.03Å; G715-Q719 PolarHBondContact O-NE2 2.81Å; G715-Q719 PolarHBondContact O-OE1 2.78Å; V716-Q719 PolarHBondContact O-OE1 2.74Å; E717-Q719 PolarHBondContact O-N 2.83Å; Q719-F723 WeakPolarHBondContact O-CB 3.31Å; Q719-F723 PolarHBondContact O-N 2.94Å |
| 720 | T | 90.9 | Very high | 90.6 | Very high | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | I590 V716 E717 F723 F724 | I590-T720 WeakPolarHBondContact CD1-OG1 3.47Å; V716-T720 WeakPolarHBondContact O-CB 3.47Å; V716-T720 PolarHBondContact O-N 3.23Å; V716-T720 PolarHBondContact O-OG1 2.84Å; E717-T720 PolarHBondContact O-N 3.48Å; T720-F723 WeakPolarHBondContact O-CB 3.43Å; T720-F723 PolarHBondContact O-N 3.09Å; T720-F724 HydrophobicContact CG2-CD2 3.79Å; T720-F724 HydrophobicContact CG2-CE2 3.46Å; T720-F724 VanDerWaalsContact CG2-CE2 3.46Å; T720-F724 WeakPolarHBondContact O-CD2 3.25Å; T720-F724 PolarHBondContact O-N 3.37Å |
| 721 | Q | 92.8 | Very high | 90.9 | Very high | 103 Ų | 103 | 36.8 Ų | 36.8 | 48% | 0.481 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61 | -47.3 | 175.4 | 171.8 | 56.6 | 26.9 | 0 | 0 | 112.1 | E717 E718 F723 F724 E725 | E717-Q721 WeakPolarHBondContact O-CB 3.35Å; E717-Q721 PolarHBondContact O-N 2.86Å; E718-Q721 PolarHBondContact O-N 2.96Å; Q721-F723 VanDerWaalsContact C-N 3.32Å; Q721-F723 PolarHBondContact O-N 2.88Å; Q721-F724 PolarHBondContact O-N 3.3Å; Q721-E725 PolarHBondContact NE2-OE1 3.17Å; Q721-E725 PolarHBondContact O-N 3.17Å |
| 722 | A | 96.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L601 F604 K605 E718 G726 | L601-A722 HydrophobicContact CB-CB 4.02Å; L601-A722 HydrophobicContact CD2-CB 4.18Å; L601-A722 WeakPolarHBondContact O-CB 3.2Å; F604-A722 HydrophobicContact CB-CB 4.2Å; K605-A722 VanDerWaalsContact CA-O 3.26Å; K605-A722 WeakPolarHBondContact CA-O 3.42Å; K605-A722 WeakPolarHBondContact CB-O 3.49Å; E718-A722 WeakPolarHBondContact O-CB 3.39Å; E718-A722 PolarHBondContact O-N 3.42Å; A722-G726 PolarHBondContact O-N 3.18Å |
| 723 | F | 95.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -46.6 | 168.8 | 172.5 | -81.2 | 0 | 0 | 0 | 111.5 | F604 I607 G608 I611 F629 I633 Q719 T720 Q721 E725 G726 F727 | F604-F723 HydrophobicContact CB-CB 4.36Å; F604-F723 WeakPolarHBondContact O-CA 3.43Å; I607-F723 HydrophobicContact CG2-CD2 4.09Å; I607-F723 HydrophobicContact CG2-CE2 4.03Å; G608-F723 WeakPolarHBondContact CA-O 3.14Å; I611-F723 HydrophobicContact CB-CE2 4.34Å; I611-F723 HydrophobicContact CB-CZ 4.33Å; I611-F723 HydrophobicContact CG1-CE2 4.01Å; I611-F723 HydrophobicContact CG1-CZ 4.42Å; I611-F723 HydrophobicContact CG2-CZ 4.46Å; F629-F723 HydrophobicContact CE1-CE2 4.45Å; F629-F723 HydrophobicContact CE1-CZ 4.46Å; F629-F723 HydrophobicContact CZ-CD2 4.28Å; F629-F723 AromaticContact CZ-CE2 3.96Å; F629-F723 HydrophobicContact CZ-CE2 3.96Å; F629-F723 HydrophobicContact CZ-CZ 4.24Å; I633-F723 HydrophobicContact CD1-CE1 4.29Å; I633-F723 HydrophobicContact CD1-CZ 3.95Å; I633-F723 HydrophobicContact CG1-CE1 3.84Å; I633-F723 HydrophobicContact CG1-CZ 4.02Å; Q719-F723 WeakPolarHBondContact O-CB 3.31Å; Q719-F723 PolarHBondContact O-N 2.94Å; T720-F723 WeakPolarHBondContact O-CB 3.43Å; T720-F723 PolarHBondContact O-N 3.09Å; Q721-F723 VanDerWaalsContact C-N 3.32Å; Q721-F723 PolarHBondContact O-N 2.88Å; F723-E725 PolarHBondContact O-N 2.96Å; F723-G726 PolarHBondContact O-N 3.27Å; F723-F727 HydrophobicContact CE1-CB 4.17Å; F723-F727 HydrophobicContact CE1-CD2 4.02Å; F723-F727 HydrophobicContact CE1-CG 4.32Å; F723-F727 AromaticContact CZ-CD2 3.94Å; F723-F727 HydrophobicContact CZ-CD2 3.94Å; F723-F727 WeakPolarHBondContact O-CB 3.14Å; F723-F727 PolarHBondContact O-N 3.41Å |
| 724 | F | 92.2 | Very high | 91 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -35.1 | -179.3 | -83.9 | -58 | 0 | 0 | 0 | 114.6 | R632 T720 Q721 F727 N728 | R632-F724 VanDerWaalsContact C-CZ 3.46Å; R632-F724 HydrophobicContact CB-CE2 4.46Å; R632-F724 HydrophobicContact CB-CZ 4.28Å; R632-F724 WeakPolarHBondContact O-CZ 3.43Å; T720-F724 HydrophobicContact CG2-CD2 3.79Å; T720-F724 HydrophobicContact CG2-CE2 3.46Å; T720-F724 VanDerWaalsContact CG2-CE2 3.46Å; T720-F724 WeakPolarHBondContact O-CD2 3.25Å; T720-F724 PolarHBondContact O-N 3.37Å; Q721-F724 PolarHBondContact O-N 3.3Å; F724-F727 PolarHBondContact O-N 2.93Å; F724-N728 WeakPolarHBondContact O-CB 3.42Å; F724-N728 PolarHBondContact O-N 2.83Å; F724-N728 PolarHBondContact O-ND2 3.48Å |
| 725 | E | 94.9 | Very high | 91.1 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 38% | 0.383 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -50.2 | 173 | -68.9 | 178.1 | -161.2 | 0 | 0 | 111.2 | K605 Q721 F723 F727 N728 E729 | K605-E725 HydrophobicContact CD-CB 4.21Å; K605-E725 IonicContact NZ-OE2 2.76Å; K605-E725 PolarHBondContact NZ-OE2 2.82Å; Q721-E725 PolarHBondContact NE2-OE1 3.17Å; Q721-E725 PolarHBondContact O-N 3.17Å; F723-E725 PolarHBondContact O-N 2.96Å; E725-F727 VanDerWaalsContact C-N 3.29Å; E725-F727 PolarHBondContact O-N 3.26Å; E725-N728 PolarHBondContact O-N 2.63Å; E725-E729 VanDerWaalsContact O-CB 3.23Å; E725-E729 WeakPolarHBondContact O-CB 3.24Å; E725-E729 WeakPolarHBondContact O-CG 3.49Å; E725-E729 PolarHBondContact O-N 2.88Å |
| 726 | G | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | K605 R609 A722 F723 | K605-G726 WeakPolarHBondContact O-CA 3.46Å; R609-G726 WeakPolarHBondContact CA-O 3.28Å; R609-G726 WeakPolarHBondContact CG-O 3.4Å; R609-G726 PolarHBondContact N-O 3.41Å; A722-G726 PolarHBondContact O-N 3.18Å; F723-G726 PolarHBondContact O-N 3.27Å |
| 727 | F | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -56.8 | 175.8 | -169.7 | -82 | 0 | 0 | 0 | 111.4 | G608 I611 A612 L615 I633 F723 F724 E725 E729 V730 L731 L736 | G608-F727 WeakPolarHBondContact O-CA 3.34Å; I611-F727 HydrophobicContact CB-CD2 4.49Å; I611-F727 HydrophobicContact CG2-CD2 4.47Å; I611-F727 HydrophobicContact CG2-CE2 4.08Å; A612-F727 HydrophobicContact CB-CD2 3.81Å; A612-F727 HydrophobicContact CB-CE2 3.99Å; A612-F727 HydrophobicContact CB-CG 4.09Å; A612-F727 HydrophobicContact CB-CZ 4.41Å; A612-F727 WeakPolarHBondContact CB-O 3.41Å; L615-F727 HydrophobicContact CD1-CE2 3.83Å; L615-F727 HydrophobicContact CD1-CZ 3.64Å; I633-F727 HydrophobicContact CG2-CE2 4.16Å; I633-F727 HydrophobicContact CG2-CZ 4.11Å; F723-F727 HydrophobicContact CE1-CB 4.17Å; F723-F727 HydrophobicContact CE1-CD2 4.02Å; F723-F727 HydrophobicContact CE1-CG 4.32Å; F723-F727 AromaticContact CZ-CD2 3.94Å; F723-F727 HydrophobicContact CZ-CD2 3.94Å; F723-F727 WeakPolarHBondContact O-CB 3.14Å; F723-F727 PolarHBondContact O-N 3.41Å; F724-F727 PolarHBondContact O-N 2.93Å; E725-F727 VanDerWaalsContact C-N 3.29Å; E725-F727 PolarHBondContact O-N 3.26Å; F727-E729 VanDerWaalsContact C-N 3.3Å; F727-E729 PolarHBondContact O-N 2.85Å; F727-V730 PolarHBondContact O-N 3.4Å; F727-V730 VanDerWaalsContact O-N 3.07Å; F727-L731 WeakPolarHBondContact CD1-O 3.27Å; F727-L731 HydrophobicContact CE1-CB 4.28Å; F727-L731 HydrophobicContact CE1-CD2 4.27Å; F727-L731 HydrophobicContact CE1-CG 4.26Å; F727-L731 VanDerWaalsContact CE1-O 3.32Å; F727-L731 WeakPolarHBondContact CE1-O 3.47Å; F727-L731 HydrophobicContact CZ-CD2 3.97Å; F727-L731 HydrophobicContact CZ-CG 4.46Å; F727-L731 PolarHBondContact O-N 3.07Å; F727-L736 HydrophobicContact CE1-CD1 4.09Å; F727-L736 HydrophobicContact CZ-CD1 3.75Å |
| 728 | N | 93.2 | Very high | 90.2 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.8 | -29 | -176.3 | -79.3 | -73.5 | 0 | 0 | 0 | 113.4 | F724 E725 V730 Q733 | F724-N728 WeakPolarHBondContact O-CB 3.42Å; F724-N728 PolarHBondContact O-N 2.83Å; F724-N728 PolarHBondContact O-ND2 3.48Å; E725-N728 PolarHBondContact O-N 2.63Å; N728-V730 PolarHBondContact O-N 3.38Å; N728-Q733 VanDerWaalsContact OD1-CB 3.27Å; N728-Q733 WeakPolarHBondContact OD1-CB 3.22Å; N728-Q733 PolarHBondContact OD1-N 3.01Å |
| 729 | E | 94.9 | Very high | 89.8 | Confident | 57 Ų | 57 | 31.6 Ų | 31.6 | 27% | 0.266 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -52.3 | -41.5 | 169.7 | -90.9 | 175.1 | -166 | 0 | 0 | 111.8 | P536 R540 K605 R609 E725 F727 | P536-E729 HydrophobicContact CB-CB 3.81Å; P536-E729 HydrophobicContact CB-CG 4.36Å; P536-E729 VanDerWaalsContact CB-O 3.32Å; P536-E729 WeakPolarHBondContact CB-O 3.32Å; P536-E729 HydrophobicContact CG-CB 3.84Å; P536-E729 HydrophobicContact CG-CG 3.89Å; R540-E729 PolarHBondContact NH2-O 2.83Å; R540-E729 VanDerWaalsContact NH2-O 3.13Å; K605-E729 VanDerWaalsContact CE-CD 3.44Å; K605-E729 WeakPolarHBondContact CE-OE1 3.43Å; K605-E729 WeakPolarHBondContact CE-OE2 3.4Å; K605-E729 IonicContact NZ-OE1 3.87Å; K605-E729 PolarHBondContact NZ-OE1 3.37Å; R609-E729 IonicContact CZ-OE2 2.73Å; R609-E729 VanDerWaalsContact CZ-OE2 3.22Å; R609-E729 IonicContact NE-OE2 3.95Å; R609-E729 PolarHBondContact NE-OE2 2.79Å; R609-E729 IonicContact NH2-OE2 3.4Å; R609-E729 PolarHBondContact NH2-OE2 3.27Å; E725-E729 VanDerWaalsContact O-CB 3.23Å; E725-E729 WeakPolarHBondContact O-CB 3.24Å; E725-E729 WeakPolarHBondContact O-CG 3.49Å; E725-E729 PolarHBondContact O-N 2.88Å; F727-E729 VanDerWaalsContact C-N 3.3Å; F727-E729 PolarHBondContact O-N 2.85Å |
| 730 | V | 95.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -93.8 | -50.8 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | L539 R540 R609 A612 M613 F727 N728 | L539-V730 HydrophobicContact CB-CG1 4.49Å; L539-V730 HydrophobicContact CB-CG2 4.12Å; L539-V730 HydrophobicContact CD1-CG2 3.61Å; L539-V730 HydrophobicContact CG-CG2 4.48Å; R540-V730 VanDerWaalsContact CZ-O 3.31Å; R540-V730 PolarHBondContact NE-O 2.92Å; R540-V730 PolarHBondContact NH2-O 3.07Å; R540-V730 VanDerWaalsContact NH2-O 3.08Å; R609-V730 HydrophobicContact CB-CG2 4.11Å; R609-V730 HydrophobicContact CG-CG2 3.99Å; A612-V730 HydrophobicContact CB-CB 3.71Å; A612-V730 HydrophobicContact CB-CG1 3.89Å; M613-V730 HydrophobicContact CG-CG1 4.04Å; F727-V730 PolarHBondContact O-N 3.4Å; F727-V730 VanDerWaalsContact O-N 3.07Å; N728-V730 PolarHBondContact O-N 3.38Å |
| 731 | L | 93.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -130.4 | 104.8 | -175.6 | 176.6 | 61.5 | 0 | 0 | 0 | 110.1 | F501 A612 L615 F616 F727 Q733 Y735 | F501-L731 HydrophobicContact CE2-CD1 4.03Å; F501-L731 HydrophobicContact CE2-CD2 3.95Å; F501-L731 HydrophobicContact CZ-CD1 4.21Å; F501-L731 HydrophobicContact CZ-CD2 3.74Å; A612-L731 HydrophobicContact CB-CB 3.79Å; L615-L731 HydrophobicContact CB-CD2 3.69Å; L615-L731 HydrophobicContact CD1-CD2 3.92Å; L615-L731 HydrophobicContact CG-CD2 4.46Å; F616-L731 HydrophobicContact CD2-CD1 4.43Å; F727-L731 WeakPolarHBondContact CD1-O 3.27Å; F727-L731 HydrophobicContact CE1-CB 4.28Å; F727-L731 HydrophobicContact CE1-CD2 4.27Å; F727-L731 HydrophobicContact CE1-CG 4.26Å; F727-L731 VanDerWaalsContact CE1-O 3.32Å; F727-L731 WeakPolarHBondContact CE1-O 3.47Å; F727-L731 HydrophobicContact CZ-CD2 3.97Å; F727-L731 HydrophobicContact CZ-CG 4.46Å; F727-L731 PolarHBondContact O-N 3.07Å; L731-Q733 PolarHBondContact O-N 3.34Å; L731-Y735 HydrophobicContact CD1-CD2 4.3Å |
| 732 | P | 88.9 | Confident | 88.7 | Confident | 33 Ų | 33 | 27.6 Ų | 27.6 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | trans | -59.7 | 127.3 | 177.4 | -26.8 | 36.2 | 0 | 0 | 0 | 112.4 | Q734 Y735 | P732-Q734 HydrophobicContact CB-CG 4.21Å; P732-Q734 PolarHBondContact O-N 3.47Å; P732-Y735 HydrophobicContact CB-CD2 4.04Å; P732-Y735 HydrophobicContact CB-CE2 3.92Å; P732-Y735 HydrophobicContact CG-CD2 4.43Å; P732-Y735 HydrophobicContact CG-CE2 4.03Å; P732-Y735 VanDerWaalsContact O-CD2 3.23Å; P732-Y735 WeakPolarHBondContact O-CD2 3.4Å; P732-Y735 PolarHBondContact O-N 2.83Å; P732-Y735 VanDerWaalsContact O-N 3.13Å | ||
| 733 | Q | 84.2 | Confident | 88.2 | Confident | 44 Ų | 44 | 27.4 Ų | 27.4 | 21% | 0.206 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -57.5 | -25.2 | -172.6 | -172 | 174.8 | 18 | 0 | 0 | 114.3 | I633 N728 L731 Y735 L736 | I633-Q733 PolarHBondContact O-NE2 3.33Å; N728-Q733 VanDerWaalsContact OD1-CB 3.27Å; N728-Q733 WeakPolarHBondContact OD1-CB 3.22Å; N728-Q733 PolarHBondContact OD1-N 3.01Å; L731-Q733 PolarHBondContact O-N 3.34Å; Q733-Y735 PolarHBondContact O-N 3.08Å; Q733-Y735 VanDerWaalsContact O-N 3.1Å; Q733-L736 WeakPolarHBondContact O-CB 3.25Å; Q733-L736 PolarHBondContact O-N 2.76Å |
| 734 | Q | 80.8 | Confident | 88 | Confident | 90 Ų | 90 | 27.2 Ų | 27.2 | 42% | 0.421 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -53.1 | -30.5 | 175.1 | 71 | -176 | 34 | 0 | 0 | 113.7 | P732 L736 Q737 | P732-Q734 HydrophobicContact CB-CG 4.21Å; P732-Q734 PolarHBondContact O-N 3.47Å; Q734-L736 PolarHBondContact O-N 3.45Å; Q734-Q737 WeakPolarHBondContact O-CG 3.48Å; Q734-Q737 PolarHBondContact O-N 3.45Å |
| 735 | Y | 84.3 | Confident | 87.9 | Confident | 36 Ų | 36 | 25.9 Ų | 25.9 | 14% | 0.141 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -73.1 | -9.2 | 178.4 | -61.6 | -64.9 | 0 | 0 | 0 | 113.3 | W504 L508 L731 P732 Q733 | W504-Y735 HydrophobicContact CB-CD1 3.76Å; W504-Y735 HydrophobicContact CB-CE1 3.95Å; W504-Y735 HydrophobicContact CB-CG 4.42Å; W504-Y735 AromaticContact CD1-CD1 3.99Å; W504-Y735 HydrophobicContact CD2-CD1 4.03Å; W504-Y735 AromaticContact CD2-CE1 3.5Å; W504-Y735 HydrophobicContact CD2-CE1 3.5Å; W504-Y735 AromaticContact CE3-CE1 3.67Å; W504-Y735 HydrophobicContact CE3-CE1 3.67Å; W504-Y735 AromaticContact CG-CD1 3.64Å; W504-Y735 HydrophobicContact CG-CD1 3.64Å; W504-Y735 AromaticContact CG-CE1 3.63Å; W504-Y735 HydrophobicContact CG-CE1 3.63Å; W504-Y735 HydrophobicContact CZ3-CE1 4.37Å; L508-Y735 HydrophobicContact CD1-CD2 4.15Å; L508-Y735 HydrophobicContact CD1-CE2 3.54Å; L731-Y735 HydrophobicContact CD1-CD2 4.3Å; P732-Y735 HydrophobicContact CB-CD2 4.04Å; P732-Y735 HydrophobicContact CB-CE2 3.92Å; P732-Y735 HydrophobicContact CG-CD2 4.43Å; P732-Y735 HydrophobicContact CG-CE2 4.03Å; P732-Y735 VanDerWaalsContact O-CD2 3.23Å; P732-Y735 WeakPolarHBondContact O-CD2 3.4Å; P732-Y735 PolarHBondContact O-N 2.83Å; P732-Y735 VanDerWaalsContact O-N 3.13Å; Q733-Y735 PolarHBondContact O-N 3.08Å; Q733-Y735 VanDerWaalsContact O-N 3.1Å |
| 736 | L | 85.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -102.7 | -3.3 | 176.7 | -61.7 | -178.7 | 0 | 0 | 0 | 114.4 | F501 L615 I633 L634 F727 Q733 Q734 Y738 F739 L744 M747 | F501-L736 HydrophobicContact CD2-CD2 3.87Å; F501-L736 HydrophobicContact CE2-CD2 3.5Å; F501-L736 HydrophobicContact CE2-CG 4.42Å; F501-L736 HydrophobicContact CZ-CD2 4.24Å; L615-L736 HydrophobicContact CD1-CD1 4.15Å; I633-L736 HydrophobicContact CG2-CD1 4.22Å; L634-L736 HydrophobicContact CD2-CB 3.79Å; L634-L736 HydrophobicContact CD2-CD1 4.48Å; F727-L736 HydrophobicContact CE1-CD1 4.09Å; F727-L736 HydrophobicContact CZ-CD1 3.75Å; Q733-L736 WeakPolarHBondContact O-CB 3.25Å; Q733-L736 PolarHBondContact O-N 2.76Å; Q734-L736 PolarHBondContact O-N 3.45Å; L736-Y738 PolarHBondContact O-N 2.9Å; L736-F739 HydrophobicContact CB-CD2 4.3Å; L736-F739 HydrophobicContact CD2-CD2 3.81Å; L736-F739 HydrophobicContact CD2-CE2 4Å; L736-F739 PolarHBondContact O-N 3.38Å; L736-L744 HydrophobicContact CD1-CD1 4.12Å; L736-L744 HydrophobicContact CD2-CD1 4.45Å; L736-M747 HydrophobicContact CD2-CE 4.4Å |
| 737 | Q | 77.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 22.2 Ų | 22.2 | 26% | 0.262 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.3 | -164.4 | 72.1 | -174.4 | 22.7 | 0 | 0 | 116.1 | L446 K636 Q734 | L446-Q737 PolarHBondContact O-NE2 3.02Å; K636-Q737 PolarHBondContact NZ-O 2.95Å; Q734-Q737 WeakPolarHBondContact O-CG 3.48Å; Q734-Q737 PolarHBondContact O-N 3.45Å |
| 738 | Y | 75.8 | Confident | 87.1 | Confident | 27 Ų | 27 | 22.2 Ų | 22.2 | 11% | 0.106 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -11.7 | 178.2 | -41.2 | -63.6 | 0 | 0 | 0 | 114.7 | W450 E451 K497 Y500 L736 | W450-Y738 WeakPolarHBondContact O-CE1 3.12Å; W450-Y738 PolarHBondContact O-OH 3.14Å; E451-Y738 HydrophobicContact CB-CD1 4.01Å; E451-Y738 HydrophobicContact CB-CE1 4.33Å; E451-Y738 HydrophobicContact CB-CG 4.19Å; E451-Y738 HydrophobicContact CG-CG 4.41Å; K497-Y738 WeakPolarHBondContact CE-O 3.3Å; K497-Y738 PolarHBondContact NZ-O 3.25Å; Y500-Y738 HydrophobicContact CE1-CE2 4.11Å; L736-Y738 PolarHBondContact O-N 2.9Å |
| 739 | F | 83.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 2% | 0.022 | 9% | 0.093 | C | C | . | . | trans | -80.8 | 141.5 | 176.3 | -63.1 | -71 | 0 | 0 | 0 | 110.3 | F494 K497 V498 F501 L634 L736 E743 M747 | F494-F739 HydrophobicContact CD2-CD1 4.35Å; F494-F739 HydrophobicContact CD2-CE1 4.24Å; F494-F739 HydrophobicContact CE2-CD1 4.23Å; F494-F739 HydrophobicContact CE2-CE1 4.1Å; K497-F739 HydrophobicContact CB-CD1 4.07Å; K497-F739 HydrophobicContact CB-CE1 3.33Å; K497-F739 HydrophobicContact CB-CZ 3.74Å; K497-F739 HydrophobicContact CD-CD1 3.93Å; K497-F739 HydrophobicContact CD-CE1 4.06Å; K497-F739 HydrophobicContact CG-CE1 4.35Å; V498-F739 HydrophobicContact CG2-CE1 4.15Å; V498-F739 HydrophobicContact CG2-CZ 4.5Å; F501-F739 HydrophobicContact CB-CE2 3.99Å; F501-F739 HydrophobicContact CB-CZ 3.9Å; F501-F739 HydrophobicContact CD2-CE2 4.15Å; F501-F739 HydrophobicContact CG-CE2 4.2Å; F501-F739 HydrophobicContact CG-CZ 4.41Å; L634-F739 WeakPolarHBondContact CD1-O 3.45Å; L634-F739 HydrophobicContact CD2-CB 4.19Å; L736-F739 HydrophobicContact CB-CD2 4.3Å; L736-F739 HydrophobicContact CD2-CD2 3.81Å; L736-F739 HydrophobicContact CD2-CE2 4Å; L736-F739 PolarHBondContact O-N 3.38Å; F739-E743 WeakPolarHBondContact CA-OE2 3.33Å; F739-E743 HydrophobicContact CB-CB 4.19Å; F739-E743 HydrophobicContact CD1-CB 3.91Å; F739-M747 HydrophobicContact CD1-SD 3.72Å; F739-M747 HydrophobicContact CD2-CE 4.49Å; F739-M747 HydrophobicContact CD2-SD 3.77Å; F739-M747 HydrophobicContact CE1-CE 4.38Å; F739-M747 HydrophobicContact CE1-SD 3.43Å; F739-M747 WeakPolarHBondContact CE1-SD 3.35Å; F739-M747 HydrophobicContact CE2-CE 3.81Å; F739-M747 HydrophobicContact CE2-SD 3.54Å; F739-M747 VanDerWaalsContact CE2-SD 3.54Å; F739-M747 HydrophobicContact CG-SD 3.87Å; F739-M747 HydrophobicContact CZ-CE 3.74Å; F739-M747 HydrophobicContact CZ-SD 3.35Å; F739-M747 WeakPolarHBondContact CZ-SD 3.03Å | ||
| 740 | D | 84.1 | Confident | 86.5 | Confident | 16 Ų | 16 | 17 Ų | 17 | 9% | 0.086 | 8% | 0.082 | C | C | . | . | trans | -84.2 | 169.6 | 162.6 | 69.2 | 54.7 | 0 | 0 | 0 | 111.1 | L634 K742 E743 L744 E864 | L634-D740 WeakPolarHBondContact CD1-O 3.42Å; D740-K742 PolarHBondContact O-N 3.49Å; D740-K742 VanDerWaalsContact O-N 3.17Å; D740-K742 WeakPolarHBondContact OD1-CA 3.37Å; D740-K742 VanDerWaalsContact OD1-CB 3.31Å; D740-K742 WeakPolarHBondContact OD1-CB 3.33Å; D740-K742 PolarHBondContact OD1-N 2.98Å; D740-E743 PolarHBondContact N-OE2 3Å; D740-E743 VanDerWaalsContact N-OE2 3.11Å; D740-E743 PolarHBondContact O-N 2.65Å; D740-E743 PolarHBondContact OD1-N 2.94Å; D740-L744 PolarHBondContact O-N 3.33Å; D740-E864 HydrophobicContact CB-CG 4.35Å | ||
| 741 | A | 85.4 | Confident | 86 | Confident | 6 Ų | 6 | 17 Ų | 17 | 5% | 0.05 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.9 | -25.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | K631 L634 E745 | K631-A741 HydrophobicContact CG-CB 3.71Å; L634-A741 HydrophobicContact CD1-CB 4.27Å; A741-E745 PolarHBondContact O-N 3.42Å; A741-E745 VanDerWaalsContact O-N 3.16Å |
| 742 | K | 84.3 | Confident | 85.6 | Confident | 28 Ų | 28 | 18.8 Ų | 18.8 | 12% | 0.122 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -85.8 | -36.8 | 179.3 | -72 | 174.3 | 179 | 173.8 | 0 | 111.8 | L627 D740 L744 E745 V746 Q795 T863 | L627-K742 HydrophobicContact CD2-CG 3.89Å; D740-K742 PolarHBondContact O-N 3.49Å; D740-K742 VanDerWaalsContact O-N 3.17Å; D740-K742 WeakPolarHBondContact OD1-CA 3.37Å; D740-K742 VanDerWaalsContact OD1-CB 3.31Å; D740-K742 WeakPolarHBondContact OD1-CB 3.33Å; D740-K742 PolarHBondContact OD1-N 2.98Å; K742-L744 VanDerWaalsContact C-N 3.31Å; K742-E745 PolarHBondContact O-N 3.39Å; K742-V746 VanDerWaalsContact O-CG2 3.31Å; K742-V746 WeakPolarHBondContact O-CG2 3.48Å; K742-V746 PolarHBondContact O-N 2.92Å; K742-Q795 HydrophobicContact CD-CB 3.99Å; K742-Q795 HydrophobicContact CG-CB 4.34Å; K742-Q795 PolarHBondContact O-NE2 3.17Å; K742-T863 PolarHBondContact NZ-OG1 3.42Å |
| 743 | E | 87.3 | Confident | 85.5 | Confident | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.023 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 170.1 | -70.3 | 178.5 | 150.3 | 0 | 0 | 111.1 | F494 K497 F739 D740 V746 M747 R792 | F494-E743 HydrophobicContact CD2-CB 3.73Å; F494-E743 HydrophobicContact CD2-CG 3.59Å; F494-E743 HydrophobicContact CE2-CB 3.65Å; F494-E743 HydrophobicContact CE2-CG 4.03Å; F494-E743 HydrophobicContact CG-CG 4.36Å; K497-E743 IonicContact NZ-OE1 3.77Å; K497-E743 PolarHBondContact NZ-OE1 3.06Å; K497-E743 IonicContact NZ-OE2 2.8Å; K497-E743 PolarHBondContact NZ-OE2 2.98Å; F739-E743 WeakPolarHBondContact CA-OE2 3.33Å; F739-E743 HydrophobicContact CB-CB 4.19Å; F739-E743 HydrophobicContact CD1-CB 3.91Å; D740-E743 PolarHBondContact N-OE2 3Å; D740-E743 VanDerWaalsContact N-OE2 3.11Å; D740-E743 PolarHBondContact O-N 2.65Å; D740-E743 PolarHBondContact OD1-N 2.94Å; E743-V746 PolarHBondContact O-N 3.26Å; E743-M747 WeakPolarHBondContact O-CG 3.49Å; E743-M747 PolarHBondContact O-N 3.35Å; E743-R792 IonicContact OE1-NH2 3.57Å; E743-R792 PolarHBondContact OE1-NH2 2.84Å; E743-R792 VanDerWaalsContact OE1-NH2 3.1Å |
| 744 | L | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 173.8 | 179.5 | 62.9 | 0 | 0 | 0 | 112.7 | L615 Y630 I633 L634 L736 D740 K742 V746 M747 L748 | L615-L744 HydrophobicContact CD1-CD1 4.09Å; L615-L744 HydrophobicContact CD2-CD1 4.07Å; Y630-L744 HydrophobicContact CD1-CD2 4.09Å; Y630-L744 HydrophobicContact CD1-CG 4.15Å; I633-L744 HydrophobicContact CB-CD2 3.67Å; I633-L744 HydrophobicContact CD1-CD2 4.4Å; I633-L744 HydrophobicContact CG2-CD2 3.52Å; L634-L744 HydrophobicContact CD1-CB 4.1Å; L634-L744 HydrophobicContact CD1-CD2 4.11Å; L634-L744 HydrophobicContact CD2-CB 4.4Å; L634-L744 HydrophobicContact CD2-CD2 3.92Å; L634-L744 HydrophobicContact CG-CB 4.47Å; L634-L744 HydrophobicContact CG-CD2 3.72Å; L736-L744 HydrophobicContact CD1-CD1 4.12Å; L736-L744 HydrophobicContact CD2-CD1 4.45Å; D740-L744 PolarHBondContact O-N 3.33Å; K742-L744 VanDerWaalsContact C-N 3.31Å; L744-V746 VanDerWaalsContact C-N 3.3Å; L744-V746 PolarHBondContact O-N 2.66Å; L744-M747 PolarHBondContact O-N 3.3Å; L744-L748 HydrophobicContact CD1-CD1 4.23Å; L744-L748 HydrophobicContact CG-CD1 4.28Å; L744-L748 PolarHBondContact O-N 3.01Å |
| 745 | E | 90.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54.3 | -48.9 | 171.9 | -175.1 | -164.6 | -169.1 | 0 | 0 | 110.3 | Y630 A741 K742 M747 L748 C749 Q795 T800 C801 | Y630-E745 HydrophobicContact CD2-CB 4.03Å; Y630-E745 HydrophobicContact CD2-CG 4.41Å; Y630-E745 HydrophobicContact CE2-CB 3.75Å; Y630-E745 HydrophobicContact CE2-CG 3.67Å; A741-E745 PolarHBondContact O-N 3.42Å; A741-E745 VanDerWaalsContact O-N 3.16Å; K742-E745 PolarHBondContact O-N 3.39Å; E745-M747 VanDerWaalsContact C-N 3.34Å; E745-M747 PolarHBondContact O-N 2.88Å; E745-L748 PolarHBondContact O-N 3.26Å; E745-L748 VanDerWaalsContact O-N 3.12Å; E745-C749 WeakPolarHBondContact O-CB 3.38Å; E745-C749 PolarHBondContact O-N 3.4Å; E745-C749 PolarHBondContact O-SG 3.33Å; E745-Q795 PolarHBondContact OE2-NE2 2.77Å; E745-T800 WeakPolarHBondContact OE1-CA 3.16Å; E745-T800 WeakPolarHBondContact OE1-CB 3.23Å; E745-T800 PolarHBondContact OE1-OG1 2.97Å; E745-C801 VanDerWaalsContact CD-N 3.28Å; E745-C801 VanDerWaalsContact CD-SG 3.56Å; E745-C801 PolarHBondContact OE1-N 3.35Å; E745-C801 PolarHBondContact OE2-N 2.99Å |
| 746 | V | 88.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 179.7 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | I385 F494 K742 E743 L744 L748 G750 M751 M791 C801 | I385-V746 HydrophobicContact CD1-CG1 4.43Å; F494-V746 HydrophobicContact CE1-CB 4.3Å; F494-V746 HydrophobicContact CE1-CG1 3.53Å; F494-V746 HydrophobicContact CZ-CB 3.91Å; F494-V746 HydrophobicContact CZ-CG1 3.54Å; K742-V746 VanDerWaalsContact O-CG2 3.31Å; K742-V746 WeakPolarHBondContact O-CG2 3.48Å; K742-V746 PolarHBondContact O-N 2.92Å; E743-V746 PolarHBondContact O-N 3.26Å; L744-V746 VanDerWaalsContact C-N 3.3Å; L744-V746 PolarHBondContact O-N 2.66Å; V746-L748 PolarHBondContact O-N 2.93Å; V746-G750 WeakPolarHBondContact O-CA 3.47Å; V746-G750 PolarHBondContact O-N 3.48Å; V746-M751 HydrophobicContact CG1-CG 3.63Å; V746-M791 HydrophobicContact CB-CE 4.24Å; V746-M791 HydrophobicContact CG1-CE 3.7Å; V746-M791 HydrophobicContact CG1-SD 4.25Å; V746-M791 HydrophobicContact CG2-CE 3.44Å; V746-M791 VanDerWaalsContact CG2-CE 3.44Å; V746-M791 HydrophobicContact CG2-SD 3.86Å; V746-C801 HydrophobicContact CG2-CB 3.96Å |
| 747 | M | 89.7 | Confident | 87.4 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.9 | -29.3 | 175.2 | -72.7 | 178.1 | 75.1 | 0 | 0 | 113.4 | I385 F494 V498 F501 L615 L736 F739 E743 L744 E745 | I385-M747 HydrophobicContact CD1-CG 4.21Å; F494-M747 HydrophobicContact CE2-CG 3.99Å; F494-M747 HydrophobicContact CZ-CG 3.99Å; V498-M747 HydrophobicContact CG2-CG 4.27Å; F501-M747 HydrophobicContact CB-CE 4.31Å; F501-M747 HydrophobicContact CD1-CE 3.33Å; F501-M747 HydrophobicContact CD2-CE 4.13Å; F501-M747 HydrophobicContact CE1-CE 3.57Å; F501-M747 HydrophobicContact CE2-CE 4.33Å; F501-M747 HydrophobicContact CG-CE 3.64Å; F501-M747 HydrophobicContact CZ-CE 4.08Å; L615-M747 HydrophobicContact CD2-CB 3.8Å; L615-M747 HydrophobicContact CD2-CE 4.16Å; L736-M747 HydrophobicContact CD2-CE 4.4Å; F739-M747 HydrophobicContact CD1-SD 3.72Å; F739-M747 HydrophobicContact CD2-CE 4.49Å; F739-M747 HydrophobicContact CD2-SD 3.77Å; F739-M747 HydrophobicContact CE1-CE 4.38Å; F739-M747 HydrophobicContact CE1-SD 3.43Å; F739-M747 WeakPolarHBondContact CE1-SD 3.35Å; F739-M747 HydrophobicContact CE2-CE 3.81Å; F739-M747 HydrophobicContact CE2-SD 3.54Å; F739-M747 VanDerWaalsContact CE2-SD 3.54Å; F739-M747 HydrophobicContact CG-SD 3.87Å; F739-M747 HydrophobicContact CZ-CE 3.74Å; F739-M747 HydrophobicContact CZ-SD 3.35Å; F739-M747 WeakPolarHBondContact CZ-SD 3.03Å; E743-M747 WeakPolarHBondContact O-CG 3.49Å; E743-M747 PolarHBondContact O-N 3.35Å; L744-M747 PolarHBondContact O-N 3.3Å; E745-M747 VanDerWaalsContact C-N 3.34Å; E745-M747 PolarHBondContact O-N 2.88Å |
| 748 | L | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -90.8 | -45.3 | 179.4 | -76.2 | 168.5 | 0 | 0 | 0 | 112.6 | I611 A614 L615 F620 I621 Y630 L744 E745 V746 | I611-L748 HydrophobicContact CG2-CD1 3.99Å; I611-L748 HydrophobicContact CG2-CD2 3.77Å; A614-L748 HydrophobicContact CB-CD2 4.31Å; L615-L748 HydrophobicContact CD1-CD2 4.24Å; L615-L748 HydrophobicContact CD2-CD2 3.79Å; L615-L748 HydrophobicContact CD2-CG 3.88Å; L615-L748 HydrophobicContact CG-CD2 3.6Å; L615-L748 HydrophobicContact CG-CG 4.17Å; F620-L748 CarbonylContact C-O 3.57Å; F620-L748 WeakPolarHBondContact CA-O 3.38Å; F620-L748 WeakPolarHBondContact CB-O 3.3Å; I621-L748 HydrophobicContact CD1-CB 4.25Å; I621-L748 HydrophobicContact CD1-CD2 3.81Å; I621-L748 HydrophobicContact CD1-CG 4.48Å; I621-L748 HydrophobicContact CG1-CB 4.11Å; I621-L748 HydrophobicContact CG1-CD2 4.24Å; I621-L748 WeakPolarHBondContact CG1-O 3.26Å; I621-L748 PolarHBondContact N-O 3.49Å; Y630-L748 HydrophobicContact CD1-CD1 4.18Å; Y630-L748 HydrophobicContact CE1-CD1 3.64Å; L744-L748 HydrophobicContact CD1-CD1 4.23Å; L744-L748 HydrophobicContact CG-CD1 4.28Å; L744-L748 PolarHBondContact O-N 3.01Å; E745-L748 PolarHBondContact O-N 3.26Å; E745-L748 VanDerWaalsContact O-N 3.12Å; V746-L748 PolarHBondContact O-N 2.93Å |
| 749 | C | 89.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -84.7 | -27.4 | -174.5 | -62.1 | 0 | 0 | 0 | 0 | 113.4 | R383 I621 E745 R802 | R383-C749 WeakPolarHBondContact CD-O 3.18Å; R383-C749 PolarHBondContact NH1-O 3.29Å; I621-C749 WeakPolarHBondContact O-CA 3.33Å; E745-C749 WeakPolarHBondContact O-CB 3.38Å; E745-C749 PolarHBondContact O-N 3.4Å; E745-C749 PolarHBondContact O-SG 3.33Å; C749-R802 HydrophobicContact CB-CG 4.02Å |
| 750 | G | 87.5 | Confident | 90 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | 82.9 | 150.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F620 V746 | F620-G750 VanDerWaalsContact CD1-CA 3.43Å; F620-G750 VanDerWaalsContact CE1-CA 3.43Å; V746-G750 WeakPolarHBondContact O-CA 3.47Å; V746-G750 PolarHBondContact O-N 3.48Å | ||
| 751 | M | 84.3 | Confident | 90.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -73 | 147.7 | 170.4 | -51.4 | -178.6 | 66.5 | 0 | 0 | 110.2 | R383 F384 I385 Y386 V746 E788 M791 | R383-M751 CarbonylContact C-O 3.49Å; R383-M751 WeakPolarHBondContact CA-O 3.48Å; R383-M751 WeakPolarHBondContact CB-O 3.13Å; F384-M751 HydrophobicContact CD1-CB 4.48Å; F384-M751 HydrophobicContact CD2-CB 4.2Å; F384-M751 HydrophobicContact CD2-SD 4.37Å; F384-M751 HydrophobicContact CE1-CB 4.25Å; F384-M751 HydrophobicContact CE2-CB 3.95Å; F384-M751 HydrophobicContact CE2-CE 4.27Å; F384-M751 HydrophobicContact CE2-CG 4.5Å; F384-M751 HydrophobicContact CE2-SD 3.92Å; F384-M751 HydrophobicContact CG-CB 4.45Å; F384-M751 HydrophobicContact CZ-CB 3.99Å; F384-M751 PolarHBondContact N-O 2.77Å; F384-M751 WeakPolarHBondContact O-CA 3.45Å; F384-M751 VanDerWaalsContact O-CB 3.24Å; F384-M751 WeakPolarHBondContact O-CB 3.1Å; F384-M751 WeakPolarHBondContact O-CG 3.11Å; F384-M751 PolarHBondContact O-N 3Å; I385-M751 HydrophobicContact CG1-CG 4.5Å; I385-M751 HydrophobicContact CG1-SD 4.44Å; Y386-M751 HydrophobicContact CD2-CE 4.24Å; Y386-M751 HydrophobicContact CD2-SD 3.84Å; Y386-M751 HydrophobicContact CE2-CE 3.61Å; Y386-M751 HydrophobicContact CE2-SD 3.81Å; V746-M751 HydrophobicContact CG1-CG 3.63Å; M751-E788 HydrophobicContact CE-CB 4.13Å; M751-E788 HydrophobicContact CE-CG 4.5Å; M751-M791 HydrophobicContact CB-SD 3.98Å; M751-M791 HydrophobicContact CE-CE 3.71Å; M751-M791 HydrophobicContact CE-SD 4.26Å; M751-M791 HydrophobicContact CG-CE 3.9Å; M751-M791 HydrophobicContact CG-SD 3.89Å; M751-M791 HydrophobicContact SD-CE 4.38Å |
| 752 | Q | 85.8 | Confident | 91.2 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | trans | -125.2 | 150 | 168.9 | 55.5 | 179.4 | 105.1 | 0 | 0 | 110.2 | N787 | Q752-N787 PolarHBondContact O-ND2 2.57Š| ||
| 753 | E | 86.8 | Confident | 91.9 | Very high | 161 Ų | 161 | 35.7 Ų | 35.7 | 75% | 0.752 | 17% | 0.172 | S | C | * | . | trans | -68.9 | 133.9 | 171.4 | -64.4 | -158 | 147.5 | 0 | 0 | 110.1 | F384 | F384-E753 HydrophobicContact CE1-CG 3.86Å; F384-E753 HydrophobicContact CZ-CG 4.48Å | ||
| 754 | I | 90.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | -99.9 | 111.3 | -175.9 | -65.5 | 173.4 | 0 | 0 | 0 | 109.9 | L756 W759 N787 R790 M791 L794 F808 | I754-L756 HydrophobicContact CG2-CD2 4.46Å; I754-L756 PolarHBondContact O-N 3.19Å; I754-L756 VanDerWaalsContact O-N 3.13Å; I754-W759 HydrophobicContact CG2-CD2 4.45Å; I754-W759 HydrophobicContact CG2-CE3 3.5Å; I754-W759 VanDerWaalsContact CG2-CE3 3.5Å; I754-W759 HydrophobicContact CG2-CZ3 3.78Å; I754-N787 PolarHBondContact N-OD1 3.47Å; I754-N787 VanDerWaalsContact N-OD1 3.08Å; I754-R790 HydrophobicContact CD1-CB 3.84Å; I754-M791 HydrophobicContact CD1-CB 3.95Å; I754-L794 HydrophobicContact CD1-CD2 4.41Å; I754-F808 HydrophobicContact CG2-CE2 4Å; I754-F808 HydrophobicContact CG2-CZ 3.95Å | ||
| 755 | D | 92.8 | Very high | 92.7 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | trans | -68.3 | 105.9 | 172.5 | -176 | -3.7 | 0 | 0 | 0 | 110.7 | V757 D758 W759 | D755-V757 VanDerWaalsContact C-N 3.28Å; D755-V757 PolarHBondContact O-N 3.48Å; D755-V757 WeakPolarHBondContact OD1-CA 3.26Å; D755-V757 VanDerWaalsContact OD1-CB 3.29Å; D755-V757 WeakPolarHBondContact OD1-CB 3.25Å; D755-V757 PolarHBondContact OD1-N 3.39Å; D755-D758 HydrophobicContact CB-CB 4.12Å; D755-D758 PolarHBondContact O-N 2.82Å; D755-D758 PolarHBondContact OD1-N 3.23Å; D755-W759 WeakPolarHBondContact O-CB 3.39Å; D755-W759 PolarHBondContact O-N 2.82Å | ||
| 756 | L | 95.4 | Very high | 93 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -28.4 | 176.9 | -61.8 | -171.4 | 0 | 0 | 0 | 113.2 | I754 W759 Q760 V782 K783 | I754-L756 HydrophobicContact CG2-CD2 4.46Å; I754-L756 PolarHBondContact O-N 3.19Å; I754-L756 VanDerWaalsContact O-N 3.13Å; L756-W759 HydrophobicContact CD2-CE3 4.1Å; L756-Q760 WeakPolarHBondContact O-CB 3.43Å; L756-Q760 PolarHBondContact O-N 2.87Å; L756-V782 HydrophobicContact CD2-CG1 3.62Å; L756-K783 HydrophobicContact CD1-CB 4.2Å; L756-K783 HydrophobicContact CD1-CG 4.34Å |
| 757 | V | 96 | Very high | 93.4 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 53% | 0.527 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.5 | -41.2 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | D755 R761 | D755-V757 VanDerWaalsContact C-N 3.28Å; D755-V757 PolarHBondContact O-N 3.48Å; D755-V757 WeakPolarHBondContact OD1-CA 3.26Å; D755-V757 VanDerWaalsContact OD1-CB 3.29Å; D755-V757 WeakPolarHBondContact OD1-CB 3.25Å; D755-V757 PolarHBondContact OD1-N 3.39Å; V757-R761 WeakPolarHBondContact O-CB 3.08Å; V757-R761 PolarHBondContact O-N 3.29Å |
| 758 | D | 96.6 | Very high | 93.8 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -48.7 | 173.4 | -175.2 | 42.1 | 0 | 0 | 0 | 112 | D755 Q760 R761 N762 F808 | D755-D758 HydrophobicContact CB-CB 4.12Å; D755-D758 PolarHBondContact O-N 2.82Å; D755-D758 PolarHBondContact OD1-N 3.23Å; D758-Q760 PolarHBondContact O-N 2.84Å; D758-R761 WeakPolarHBondContact O-CB 3.44Å; D758-R761 PolarHBondContact O-N 3.05Å; D758-R761 VanDerWaalsContact O-N 3.15Å; D758-N762 WeakPolarHBondContact O-CB 3.45Å; D758-N762 PolarHBondContact O-N 3.23Å; D758-N762 PolarHBondContact OD1-ND2 3.34Å; D758-F808 HydrophobicContact CB-CD2 4.44Å; D758-F808 WeakPolarHBondContact OD2-CB 3.39Å; D758-F808 WeakPolarHBondContact OD2-CD2 3.3Å; D758-F808 PolarHBondContact OD2-N 3.12Å |
| 759 | W | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.9 | -48.4 | 178.1 | -165.6 | 0.6 | 0 | 0 | 0 | 111.9 | I754 D755 L756 T763 W779 V782 R790 L793 F808 F820 | I754-W759 HydrophobicContact CG2-CD2 4.45Å; I754-W759 HydrophobicContact CG2-CE3 3.5Å; I754-W759 VanDerWaalsContact CG2-CE3 3.5Å; I754-W759 HydrophobicContact CG2-CZ3 3.78Å; D755-W759 WeakPolarHBondContact O-CB 3.39Å; D755-W759 PolarHBondContact O-N 2.82Å; L756-W759 HydrophobicContact CD2-CE3 4.1Å; W759-T763 WeakPolarHBondContact O-CB 3.33Å; W759-T763 PolarHBondContact O-N 3.41Å; W759-T763 PolarHBondContact O-OG1 2.89Å; W759-W779 HydrophobicContact CB-CH2 4.14Å; W759-W779 HydrophobicContact CB-CZ3 4.26Å; W759-W779 AromaticContact CD1-CH2 3.68Å; W759-W779 HydrophobicContact CD2-CH2 4.04Å; W759-W779 HydrophobicContact CD2-CZ3 4.09Å; W759-W779 HydrophobicContact CE3-CZ3 4.43Å; W759-W779 AromaticContact CG-CH2 3.66Å; W759-W779 HydrophobicContact CG-CH2 3.66Å; W759-W779 AromaticContact CG-CZ3 3.98Å; W759-W779 HydrophobicContact CG-CZ3 3.98Å; W759-V782 HydrophobicContact CE3-CG1 4.18Å; W759-V782 HydrophobicContact CZ3-CG1 3.97Å; W759-R790 HydrophobicContact CZ3-CB 4.25Å; W759-L793 HydrophobicContact CH2-CB 4.39Å; W759-L793 HydrophobicContact CH2-CD2 3.9Å; W759-L793 HydrophobicContact CH2-CG 4.04Å; W759-L793 HydrophobicContact CZ2-CD2 4.36Å; W759-L793 HydrophobicContact CZ2-CG 4.39Å; W759-F808 HydrophobicContact CB-CD1 4.1Å; W759-F808 HydrophobicContact CB-CD2 3.73Å; W759-F808 HydrophobicContact CB-CE1 4Å; W759-F808 HydrophobicContact CB-CE2 3.6Å; W759-F808 HydrophobicContact CB-CG 3.99Å; W759-F808 HydrophobicContact CB-CZ 3.74Å; W759-F808 AromaticContact CD1-CD1 3.37Å; W759-F808 AromaticContact CD1-CE1 3.24Å; W759-F808 AromaticContact CD1-CZ 3.84Å; W759-F808 HydrophobicContact CD2-CD1 4.44Å; W759-F808 AromaticContact CD2-CE1 3.62Å; W759-F808 HydrophobicContact CD2-CE1 3.62Å; W759-F808 HydrophobicContact CD2-CE2 4.27Å; W759-F808 AromaticContact CD2-CZ 3.51Å; W759-F808 HydrophobicContact CD2-CZ 3.51Å; W759-F808 AromaticContact CE2-CE1 3.64Å; W759-F808 AromaticContact CE2-CZ 3.95Å; W759-F808 HydrophobicContact CE3-CE1 4.45Å; W759-F808 AromaticContact CE3-CZ 3.93Å; W759-F808 HydrophobicContact CE3-CZ 3.93Å; W759-F808 AromaticContact CG-CD1 3.74Å; W759-F808 HydrophobicContact CG-CD1 3.74Å; W759-F808 HydrophobicContact CG-CD2 4.21Å; W759-F808 AromaticContact CG-CE1 3.37Å; W759-F808 HydrophobicContact CG-CE1 3.37Å; W759-F808 AromaticContact CG-CE2 3.86Å; W759-F808 HydrophobicContact CG-CE2 3.86Å; W759-F808 HydrophobicContact CG-CG 4.15Å; W759-F808 AromaticContact CG-CZ 3.44Å; W759-F808 HydrophobicContact CG-CZ 3.44Å; W759-F808 VanDerWaalsContact CG-CZ 3.44Å; W759-F808 HydrophobicContact CZ2-CE1 4.44Å; W759-F808 AromaticContact NE1-CD1 3.91Å; W759-F808 AromaticContact NE1-CE1 3.44Å; W759-F820 AromaticContact CE2-CE2 3.78Å; W759-F820 AromaticContact CE2-CZ 3.87Å; W759-F820 HydrophobicContact CZ2-CD2 4.29Å; W759-F820 HydrophobicContact CZ2-CE1 4.49Å; W759-F820 AromaticContact CZ2-CE2 3.56Å; W759-F820 HydrophobicContact CZ2-CE2 3.56Å; W759-F820 AromaticContact CZ2-CZ 3.7Å; W759-F820 HydrophobicContact CZ2-CZ 3.7Å; W759-F820 AromaticContact NE1-CD1 3.44Å; W759-F820 AromaticContact NE1-CD2 3.34Å; W759-F820 VanDerWaalsContact NE1-CD2 3.34Å; W759-F820 AromaticContact NE1-CE1 3.5Å; W759-F820 AromaticContact NE1-CE2 3.38Å; W759-F820 AromaticContact NE1-CG 3.37Å; W759-F820 AromaticContact NE1-CZ 3.47Å |
| 760 | Q | 96.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 64 Ų | 64 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.6 | -35 | 179.1 | -173.5 | 175.2 | 54.2 | 0 | 0 | 112.6 | L756 D758 W779 | L756-Q760 WeakPolarHBondContact O-CB 3.43Å; L756-Q760 PolarHBondContact O-N 2.87Å; D758-Q760 PolarHBondContact O-N 2.84Å; Q760-W779 HydrophobicContact CB-CD2 4.08Å; Q760-W779 HydrophobicContact CB-CE3 4.03Å; Q760-W779 HydrophobicContact CB-CH2 4.07Å; Q760-W779 HydrophobicContact CB-CZ2 4.1Å; Q760-W779 HydrophobicContact CB-CZ3 4.02Å; Q760-W779 HydrophobicContact CG-CD2 3.86Å; Q760-W779 HydrophobicContact CG-CE3 4.31Å; Q760-W779 HydrophobicContact CG-CG 4.18Å; Q760-W779 HydrophobicContact CG-CZ2 4.22Å; Q760-W779 VanDerWaalsContact NE2-CB 3.34Å; Q760-W779 VanDerWaalsContact NE2-CD1 3.3Å |
| 761 | R | 97.3 | Very high | 94.8 | Very high | 166 Ų | 166 | 68.5 Ų | 68.5 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 176.9 | 178.5 | -174.7 | -59 | -178.7 | 3.4 | 111.5 | V757 D758 R770 | V757-R761 WeakPolarHBondContact O-CB 3.08Å; V757-R761 PolarHBondContact O-N 3.29Å; D758-R761 WeakPolarHBondContact O-CB 3.44Å; D758-R761 PolarHBondContact O-N 3.05Å; D758-R761 VanDerWaalsContact O-N 3.15Å; R761-R770 PolarHBondContact O-NH2 3.17Å |
| 762 | N | 97.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -88.3 | -8.6 | -173.6 | -84.8 | -63.5 | 0 | 0 | 0 | 115 | D758 F808 A809 K819 | D758-N762 WeakPolarHBondContact O-CB 3.45Å; D758-N762 PolarHBondContact O-N 3.23Å; D758-N762 PolarHBondContact OD1-ND2 3.34Å; N762-F808 HydrophobicContact CB-CB 3.84Å; N762-F808 WeakPolarHBondContact CB-O 3.35Å; N762-A809 WeakPolarHBondContact OD1-CA 3.43Å; N762-K819 HydrophobicContact CB-CD 4.39Å; N762-K819 PolarHBondContact OD1-NZ 2.95Å |
| 763 | T | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | trans | -68.3 | 133.9 | 175.3 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | W759 Y765 R770 W779 F820 I822 | W759-T763 WeakPolarHBondContact O-CB 3.33Å; W759-T763 PolarHBondContact O-N 3.41Å; W759-T763 PolarHBondContact O-OG1 2.89Å; T763-Y765 HydrophobicContact CG2-CD1 4.36Å; T763-Y765 HydrophobicContact CG2-CE1 3.7Å; T763-Y765 HydrophobicContact CG2-CE2 3.99Å; T763-Y765 VanDerWaalsContact CG2-CZ 3.49Å; T763-Y765 VanDerWaalsContact O-CE2 3.22Å; T763-Y765 WeakPolarHBondContact O-CE2 3.37Å; T763-R770 PolarHBondContact O-NH2 3.46Å; T763-W779 HydrophobicContact CG2-CZ2 4.09Å; T763-W779 WeakPolarHBondContact OG1-CZ2 3.32Å; T763-F820 WeakPolarHBondContact CA-O 3.42Å; T763-F820 HydrophobicContact CG2-CD1 3.82Å; T763-F820 HydrophobicContact CG2-CE1 4.37Å; T763-F820 WeakPolarHBondContact OG1-CD1 3.45Å; T763-I822 HydrophobicContact CG2-CD1 4.26Å; T763-I822 HydrophobicContact CG2-CG1 4.08Å | ||
| 764 | I | 97.1 | Very high | 96.6 | Very high | 80 Ų | 80 | 68.6 Ų | 68.6 | 41% | 0.41 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 149.7 | 173.6 | -58.7 | 179.6 | 0 | 0 | 0 | 109.9 | K819 F820 C821 I822 | I764-K819 HydrophobicContact CD1-CB 3.94Å; I764-K819 HydrophobicContact CD1-CG 4.45Å; I764-K819 HydrophobicContact CG1-CB 4.26Å; I764-F820 PolarHBondContact N-O 2.83Å; I764-C821 WeakPolarHBondContact O-CA 3.28Å; I764-I822 PolarHBondContact O-N 2.93Å |
| 765 | Y | 97.9 | Very high | 96.9 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 14% | 0.137 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.6 | -178.1 | -54.4 | -86.2 | 0 | 0 | 0 | 110.5 | T763 Y768 R770 I775 W779 I822 | T763-Y765 HydrophobicContact CG2-CD1 4.36Å; T763-Y765 HydrophobicContact CG2-CE1 3.7Å; T763-Y765 HydrophobicContact CG2-CE2 3.99Å; T763-Y765 VanDerWaalsContact CG2-CZ 3.49Å; T763-Y765 VanDerWaalsContact O-CE2 3.22Å; T763-Y765 WeakPolarHBondContact O-CE2 3.37Å; Y765-Y768 WeakPolarHBondContact CB-O 3.3Å; Y765-R770 HydrophobicContact CD2-CG 3.76Å; Y765-R770 HydrophobicContact CE2-CG 3.46Å; Y765-R770 VanDerWaalsContact CE2-CG 3.46Å; Y765-I775 HydrophobicContact CD1-CD1 3.66Å; Y765-I775 HydrophobicContact CD1-CG1 3.88Å; Y765-I775 HydrophobicContact CD1-CG2 3.97Å; Y765-I775 HydrophobicContact CE1-CB 4.34Å; Y765-I775 HydrophobicContact CE1-CD1 3.84Å; Y765-I775 HydrophobicContact CE1-CG1 4.08Å; Y765-I775 HydrophobicContact CE1-CG2 3.34Å; Y765-W779 AromaticContact CZ-NE1 3.89Å; Y765-W779 PolarHBondContact OH-NE1 3.07Å; Y765-I822 WeakPolarHBondContact CA-O 3.42Å; Y765-I822 HydrophobicContact CD1-CB 4.23Å; Y765-I822 HydrophobicContact CE1-CD1 4.17Å |
| 766 | R | 97 | Very high | 97.2 | Very high | 124 Ų | 124 | 68.6 Ų | 68.6 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.4 | 176 | -71.6 | 176.1 | 177.4 | -127.5 | 3.3 | 109.6 | Y768 I822 E823 K824 | R766-Y768 PolarHBondContact O-N 2.75Å; R766-I822 PolarHBondContact N-O 3.08Å; R766-E823 HydrophobicContact CB-CB 3.85Å; R766-E823 HydrophobicContact CB-CG 3.55Å; R766-E823 VanDerWaalsContact CD-CD 3.46Å; R766-E823 WeakPolarHBondContact CD-OE2 3.23Å; R766-E823 WeakPolarHBondContact O-CA 3.28Å; R766-K824 PolarHBondContact O-N 2.77Å |
| 767 | H | 97.4 | Very high | 97.4 | Very high | 150 Ų | 150 | 69.1 Ų | 69.1 | 69% | 0.694 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 55.2 | 12.6 | -174.6 | -56.8 | -66.6 | 0 | 0 | 0 | 115.5 | E823 K824 | H767-E823 IonicContact CD2-OE1 3.46Å; H767-E823 PolarHBondContact CD2-OE1 3.13Å; H767-E823 IonicContact NE2-OE1 3.91Å; H767-K824 HydrophobicContact CB-CB 3.83Å; H767-K824 WeakPolarHBondContact O-CD 3.33Å |
| 768 | Y | 97.9 | Very high | 97.5 | Very high | 22 Ų | 22 | 65 Ų | 65 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | trans | -128.2 | 159.8 | 167.3 | -78.7 | -57.3 | 0 | 0 | 0 | 109.5 | Y765 R766 Q774 I775 I822 K824 L843 P844 P845 | Y765-Y768 WeakPolarHBondContact CB-O 3.3Å; R766-Y768 PolarHBondContact O-N 2.75Å; Y768-Q774 HydrophobicContact CE1-CB 3.95Å; Y768-Q774 HydrophobicContact CE1-CG 4.24Å; Y768-I775 HydrophobicContact CD1-CG1 4.33Å; Y768-I775 HydrophobicContact CD2-CD1 3.82Å; Y768-I775 HydrophobicContact CD2-CG1 4.35Å; Y768-I775 HydrophobicContact CE2-CD1 4.39Å; Y768-I775 HydrophobicContact CG-CD1 3.95Å; Y768-I775 HydrophobicContact CG-CG1 3.95Å; Y768-I822 HydrophobicContact CD2-CG2 4.29Å; Y768-I822 HydrophobicContact CE2-CG2 4.46Å; Y768-K824 HydrophobicContact CD1-CB 4.26Å; Y768-K824 HydrophobicContact CD1-CD 4.38Å; Y768-K824 HydrophobicContact CD2-CB 3.66Å; Y768-K824 HydrophobicContact CE1-CB 4.07Å; Y768-K824 HydrophobicContact CE1-CD 4Å; Y768-K824 HydrophobicContact CE1-CG 3.99Å; Y768-K824 VanDerWaalsContact CE2-CA 3.45Å; Y768-K824 HydrophobicContact CE2-CB 3.44Å; Y768-K824 VanDerWaalsContact CE2-CB 3.44Å; Y768-K824 HydrophobicContact CE2-CG 4.01Å; Y768-K824 HydrophobicContact CG-CB 4.07Å; Y768-L843 HydrophobicContact CE2-CB 4.19Å; Y768-L843 HydrophobicContact CE2-CD2 4.42Å; Y768-L843 HydrophobicContact CE2-CG 4.46Å; Y768-L843 VanDerWaalsContact CE2-O 3.31Å; Y768-L843 WeakPolarHBondContact CE2-O 3.25Å; Y768-L843 PolarHBondContact OH-O 2.84Å; Y768-P844 PolarHBondContact OH-O 2.79Å; Y768-P845 WeakPolarHBondContact OH-CA 3.43Å | ||
| 769 | A | 95.8 | Very high | 97.6 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | trans | -115.6 | 162.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | S771 S772 | A769-S771 PolarHBondContact O-N 2.87Å; A769-S772 PolarHBondContact N-OG 2.82Å; A769-S772 VanDerWaalsContact O-CB 3.27Å; A769-S772 WeakPolarHBondContact O-CB 3.49Å; A769-S772 PolarHBondContact O-N 3.15Å; A769-S772 PolarHBondContact O-OG 3.3Å | ||
| 770 | R | 95.3 | Very high | 97.6 | Very high | 150 Ų | 150 | 68.8 Ų | 68.8 | 57% | 0.566 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.2 | 175.8 | -73.2 | -179.3 | 175.5 | -160.3 | -10.2 | 113.6 | R761 T763 Y765 | R761-R770 PolarHBondContact O-NH2 3.17Å; T763-R770 PolarHBondContact O-NH2 3.46Å; Y765-R770 HydrophobicContact CD2-CG 3.76Å; Y765-R770 HydrophobicContact CE2-CG 3.46Å; Y765-R770 VanDerWaalsContact CE2-CG 3.46Å |
| 771 | S | 96.9 | Very high | 97.6 | Very high | 96 Ų | 96 | 64.9 Ų | 64.9 | 67% | 0.671 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.9 | 176.6 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | A769 | A769-S771 PolarHBondContact O-N 2.87Š|
| 772 | S | 98.1 | Very high | 97.6 | Very high | 31 Ų | 31 | 57 Ų | 57 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -68.4 | 138.3 | 177.9 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | A769 Q774 I775 L776 | A769-S772 PolarHBondContact N-OG 2.82Å; A769-S772 VanDerWaalsContact O-CB 3.27Å; A769-S772 WeakPolarHBondContact O-CB 3.49Å; A769-S772 PolarHBondContact O-N 3.15Å; A769-S772 PolarHBondContact O-OG 3.3Å; S772-Q774 VanDerWaalsContact C-N 3.29Å; S772-Q774 PolarHBondContact O-N 3.13Å; S772-I775 WeakPolarHBondContact O-CB 3.22Å; S772-I775 PolarHBondContact O-N 2.95Å; S772-L776 PolarHBondContact O-N 3.02Å |
| 773 | K | 98 | Very high | 97.5 | Very high | 141 Ų | 141 | 63.3 Ų | 63.3 | 61% | 0.613 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -51.5 | -46 | -175 | -67.6 | -173.7 | 178.2 | -176.7 | 0 | 112.8 | I775 L776 W777 | K773-I775 VanDerWaalsContact C-N 3.28Å; K773-I775 PolarHBondContact O-N 3.43Å; K773-L776 PolarHBondContact O-N 2.8Å; K773-W777 HydrophobicContact CB-CD2 4.33Å; K773-W777 HydrophobicContact CB-CE3 4.29Å; K773-W777 HydrophobicContact CB-CH2 3.89Å; K773-W777 HydrophobicContact CB-CZ2 3.95Å; K773-W777 HydrophobicContact CB-CZ3 4.07Å; K773-W777 HydrophobicContact CD-CH2 4.13Å; K773-W777 HydrophobicContact CD-CZ2 4.15Å; K773-W777 WeakPolarHBondContact O-CB 3.41Å; K773-W777 VanDerWaalsContact O-CD2 3.28Å; K773-W777 PolarHBondContact O-N 3.44Å |
| 774 | Q | 98.2 | Very high | 97.4 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -31.2 | 179.8 | -63.3 | 78.9 | 6.8 | 0 | 0 | 112.9 | Y768 S772 W777 F778 L843 Y846 L852 | Y768-Q774 HydrophobicContact CE1-CB 3.95Å; Y768-Q774 HydrophobicContact CE1-CG 4.24Å; S772-Q774 VanDerWaalsContact C-N 3.29Å; S772-Q774 PolarHBondContact O-N 3.13Å; Q774-W777 HydrophobicContact CG-CE3 4.24Å; Q774-W777 HydrophobicContact CG-CZ3 4.31Å; Q774-F778 VanDerWaalsContact O-CB 3.26Å; Q774-F778 WeakPolarHBondContact O-CB 3.42Å; Q774-F778 PolarHBondContact O-N 3.13Å; Q774-L843 HydrophobicContact CB-CD2 4.36Å; Q774-Y846 PolarHBondContact NE2-O 2.96Å; Q774-L852 HydrophobicContact CB-CD1 4.18Å; Q774-L852 WeakPolarHBondContact O-CD1 3.42Å |
| 775 | I | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.2 | -40.4 | 176.1 | -60 | -51.1 | 0 | 0 | 0 | 111.1 | Y765 Y768 S772 K773 W777 F778 W779 I822 L843 | Y765-I775 HydrophobicContact CD1-CD1 3.66Å; Y765-I775 HydrophobicContact CD1-CG1 3.88Å; Y765-I775 HydrophobicContact CD1-CG2 3.97Å; Y765-I775 HydrophobicContact CE1-CB 4.34Å; Y765-I775 HydrophobicContact CE1-CD1 3.84Å; Y765-I775 HydrophobicContact CE1-CG1 4.08Å; Y765-I775 HydrophobicContact CE1-CG2 3.34Å; Y768-I775 HydrophobicContact CD1-CG1 4.33Å; Y768-I775 HydrophobicContact CD2-CD1 3.82Å; Y768-I775 HydrophobicContact CD2-CG1 4.35Å; Y768-I775 HydrophobicContact CE2-CD1 4.39Å; Y768-I775 HydrophobicContact CG-CD1 3.95Å; Y768-I775 HydrophobicContact CG-CG1 3.95Å; S772-I775 WeakPolarHBondContact O-CB 3.22Å; S772-I775 PolarHBondContact O-N 2.95Å; K773-I775 VanDerWaalsContact C-N 3.28Å; K773-I775 PolarHBondContact O-N 3.43Å; I775-W777 VanDerWaalsContact C-N 3.35Å; I775-F778 PolarHBondContact O-N 3.09Å; I775-W779 PolarHBondContact O-N 2.89Å; I775-I822 HydrophobicContact CD1-CB 4.19Å; I775-I822 HydrophobicContact CD1-CD1 4.24Å; I775-I822 HydrophobicContact CD1-CG2 3.75Å; I775-L843 HydrophobicContact CD1-CD2 4.32Å |
| 776 | L | 98.3 | Very high | 96.7 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 173.5 | -62.2 | 174.6 | 0 | 0 | 0 | 111.1 | S772 K773 W779 Q780 | S772-L776 PolarHBondContact O-N 3.02Å; K773-L776 PolarHBondContact O-N 2.8Å; L776-W779 PolarHBondContact O-N 3.24Å; L776-Q780 WeakPolarHBondContact O-CB 3.26Å; L776-Q780 PolarHBondContact O-N 3.08Å |
| 777 | W | 98.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 61 Ų | 61 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 173.8 | -68.2 | -23.6 | 0 | 0 | 0 | 112.8 | K773 Q774 I775 W779 Q780 F781 Y846 K847 Y849 L852 | K773-W777 HydrophobicContact CB-CD2 4.33Å; K773-W777 HydrophobicContact CB-CE3 4.29Å; K773-W777 HydrophobicContact CB-CH2 3.89Å; K773-W777 HydrophobicContact CB-CZ2 3.95Å; K773-W777 HydrophobicContact CB-CZ3 4.07Å; K773-W777 HydrophobicContact CD-CH2 4.13Å; K773-W777 HydrophobicContact CD-CZ2 4.15Å; K773-W777 WeakPolarHBondContact O-CB 3.41Å; K773-W777 VanDerWaalsContact O-CD2 3.28Å; K773-W777 PolarHBondContact O-N 3.44Å; Q774-W777 HydrophobicContact CG-CE3 4.24Å; Q774-W777 HydrophobicContact CG-CZ3 4.31Å; I775-W777 VanDerWaalsContact C-N 3.35Å; W777-W779 PolarHBondContact O-N 2.63Å; W777-Q780 PolarHBondContact O-N 3.03Å; W777-F781 WeakPolarHBondContact O-CB 3.42Å; W777-F781 PolarHBondContact O-N 3.37Å; W777-Y846 WeakPolarHBondContact CZ3-O 3.49Å; W777-K847 WeakPolarHBondContact CH2-O 3.23Å; W777-Y849 HydrophobicContact CB-CD2 3.74Å; W777-Y849 HydrophobicContact CB-CE2 4.36Å; W777-Y849 AromaticContact CD1-CD2 3.72Å; W777-Y849 AromaticContact CG-CD2 3.81Å; W777-Y849 HydrophobicContact CG-CD2 3.81Å; W777-Y849 WeakPolarHBondContact O-CE2 3.48Å; W777-L852 HydrophobicContact CB-CD1 3.99Å |
| 778 | F | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.7 | -50.5 | 174.6 | 176.1 | -91.1 | 0 | 0 | 0 | 111.4 | Q774 I775 F781 V782 L793 F820 I822 L841 L843 L856 | Q774-F778 VanDerWaalsContact O-CB 3.26Å; Q774-F778 WeakPolarHBondContact O-CB 3.42Å; Q774-F778 PolarHBondContact O-N 3.13Å; I775-F778 PolarHBondContact O-N 3.09Å; F778-F781 PolarHBondContact O-N 3.37Å; F778-V782 HydrophobicContact CD1-CG2 4.21Å; F778-V782 HydrophobicContact CD2-CG2 4.49Å; F778-V782 HydrophobicContact CE1-CG2 3.84Å; F778-V782 HydrophobicContact CE2-CG2 4.14Å; F778-V782 HydrophobicContact CZ-CG2 3.81Å; F778-V782 WeakPolarHBondContact O-CG2 3.21Å; F778-V782 PolarHBondContact O-N 3.46Å; F778-L793 HydrophobicContact CE2-CD2 4.02Å; F778-L793 HydrophobicContact CZ-CD2 3.93Å; F778-F820 HydrophobicContact CZ-CE1 4.31Å; F778-F820 HydrophobicContact CZ-CZ 4.25Å; F778-I822 HydrophobicContact CD1-CD1 3.61Å; F778-I822 HydrophobicContact CD2-CD1 4.29Å; F778-I822 HydrophobicContact CE1-CD1 3.55Å; F778-I822 HydrophobicContact CE2-CD1 4.23Å; F778-I822 HydrophobicContact CG-CD1 3.99Å; F778-I822 HydrophobicContact CZ-CD1 3.87Å; F778-L841 HydrophobicContact CD2-CD2 4.04Å; F778-L841 HydrophobicContact CE2-CD2 3.43Å; F778-L841 VanDerWaalsContact CE2-CD2 3.43Å; F778-L841 HydrophobicContact CZ-CD2 4.13Å; F778-L843 HydrophobicContact CB-CD2 4.39Å; F778-L843 HydrophobicContact CD2-CD2 4.47Å; F778-L856 HydrophobicContact CD2-CD2 3.89Å; F778-L856 HydrophobicContact CE2-CD2 3.89Å |
| 779 | W | 98.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 8% | 0.076 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.8 | -30.3 | -179.2 | -69.7 | 115.3 | 0 | 0 | 0 | 114.3 | W759 Q760 T763 Y765 I775 L776 W777 F781 V782 K783 | W759-W779 HydrophobicContact CB-CH2 4.14Å; W759-W779 HydrophobicContact CB-CZ3 4.26Å; W759-W779 AromaticContact CD1-CH2 3.68Å; W759-W779 HydrophobicContact CD2-CH2 4.04Å; W759-W779 HydrophobicContact CD2-CZ3 4.09Å; W759-W779 HydrophobicContact CE3-CZ3 4.43Å; W759-W779 AromaticContact CG-CH2 3.66Å; W759-W779 HydrophobicContact CG-CH2 3.66Å; W759-W779 AromaticContact CG-CZ3 3.98Å; W759-W779 HydrophobicContact CG-CZ3 3.98Å; Q760-W779 HydrophobicContact CB-CD2 4.08Å; Q760-W779 HydrophobicContact CB-CE3 4.03Å; Q760-W779 HydrophobicContact CB-CH2 4.07Å; Q760-W779 HydrophobicContact CB-CZ2 4.1Å; Q760-W779 HydrophobicContact CB-CZ3 4.02Å; Q760-W779 HydrophobicContact CG-CD2 3.86Å; Q760-W779 HydrophobicContact CG-CE3 4.31Å; Q760-W779 HydrophobicContact CG-CG 4.18Å; Q760-W779 HydrophobicContact CG-CZ2 4.22Å; Q760-W779 VanDerWaalsContact NE2-CB 3.34Å; Q760-W779 VanDerWaalsContact NE2-CD1 3.3Å; T763-W779 HydrophobicContact CG2-CZ2 4.09Å; T763-W779 WeakPolarHBondContact OG1-CZ2 3.32Å; Y765-W779 AromaticContact CZ-NE1 3.89Å; Y765-W779 PolarHBondContact OH-NE1 3.07Å; I775-W779 PolarHBondContact O-N 2.89Å; L776-W779 PolarHBondContact O-N 3.24Å; W777-W779 PolarHBondContact O-N 2.63Å; W779-F781 VanDerWaalsContact C-N 3.33Å; W779-V782 HydrophobicContact CE3-CB 4.29Å; W779-V782 HydrophobicContact CE3-CG1 4.23Å; W779-V782 HydrophobicContact CZ3-CG1 4.15Å; W779-K783 WeakPolarHBondContact O-CB 3.36Å; W779-K783 PolarHBondContact O-N 2.99Å |
| 780 | Q | 97.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 56.4 Ų | 56.4 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 166.7 | 179.3 | -170.9 | -26.9 | 0 | 0 | 110 | L776 W777 K783 E784 Y849 | L776-Q780 WeakPolarHBondContact O-CB 3.26Å; L776-Q780 PolarHBondContact O-N 3.08Å; W777-Q780 PolarHBondContact O-N 3.03Å; Q780-K783 WeakPolarHBondContact O-CB 3.4Å; Q780-K783 PolarHBondContact O-N 3.17Å; Q780-E784 PolarHBondContact NE2-OE1 3.33Å; Q780-E784 PolarHBondContact O-N 2.8Å; Q780-Y849 HydrophobicContact CB-CE2 4.06Å; Q780-Y849 HydrophobicContact CG-CE2 3.94Å; Q780-Y849 VanDerWaalsContact NE2-CZ 3.29Å |
| 781 | F | 97.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -42 | -175.4 | -179.6 | -140.9 | 0 | 0 | 0 | 112.7 | W777 F778 W779 K783 E784 M785 Y849 L852 K853 L856 M857 | W777-F781 WeakPolarHBondContact O-CB 3.42Å; W777-F781 PolarHBondContact O-N 3.37Å; F778-F781 PolarHBondContact O-N 3.37Å; W779-F781 VanDerWaalsContact C-N 3.33Å; F781-K783 PolarHBondContact O-N 3Å; F781-E784 HydrophobicContact CD2-CB 4.37Å; F781-E784 CarbonylContact O-C 3.56Å; F781-E784 WeakPolarHBondContact O-CA 3.38Å; F781-E784 WeakPolarHBondContact O-CB 3.34Å; F781-E784 PolarHBondContact O-N 2.86Å; F781-M785 HydrophobicContact CD1-CE 3.91Å; F781-M785 HydrophobicContact CD2-CG 4.44Å; F781-M785 HydrophobicContact CE1-CE 3.33Å; F781-M785 HydrophobicContact CE2-CE 4.22Å; F781-M785 HydrophobicContact CE2-CG 3.98Å; F781-M785 HydrophobicContact CZ-CE 3.47Å; F781-M785 VanDerWaalsContact CZ-CE 3.47Å; F781-M785 HydrophobicContact CZ-CG 4.1Å; F781-M785 WeakPolarHBondContact O-CG 3.4Å; F781-M785 PolarHBondContact O-N 2.9Å; F781-Y849 VanDerWaalsContact CA-OH 3.3Å; F781-Y849 WeakPolarHBondContact CA-OH 3.22Å; F781-Y849 HydrophobicContact CB-CE2 3.89Å; F781-Y849 WeakPolarHBondContact CB-OH 3.07Å; F781-L852 HydrophobicContact CD1-CD2 4.32Å; F781-K853 HydrophobicContact CD1-CB 4.36Å; F781-K853 HydrophobicContact CD1-CG 4.31Å; F781-K853 HydrophobicContact CD2-CD 3.91Å; F781-K853 HydrophobicContact CD2-CG 3.81Å; F781-K853 HydrophobicContact CE1-CB 4.48Å; F781-K853 HydrophobicContact CE1-CG 4.16Å; F781-K853 HydrophobicContact CE2-CD 4.08Å; F781-K853 HydrophobicContact CE2-CG 3.7Å; F781-K853 HydrophobicContact CG-CB 4.42Å; F781-K853 HydrophobicContact CG-CG 4.17Å; F781-K853 HydrophobicContact CZ-CG 3.9Å; F781-L856 HydrophobicContact CD1-CD2 4.06Å; F781-L856 HydrophobicContact CE1-CB 4.26Å; F781-L856 HydrophobicContact CE1-CD2 4.16Å; F781-L856 HydrophobicContact CE1-CG 4.45Å; F781-M857 HydrophobicContact CE1-CG 4.18Å; F781-M857 HydrophobicContact CE1-SD 4.49Å; F781-M857 HydrophobicContact CZ-CG 3.59Å; F781-M857 HydrophobicContact CZ-SD 3.68Å |
| 782 | V | 97 | Very high | 94 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -27.8 | 173.4 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | L756 W759 F778 W779 M785 R790 L793 | L756-V782 HydrophobicContact CD2-CG1 3.62Å; W759-V782 HydrophobicContact CE3-CG1 4.18Å; W759-V782 HydrophobicContact CZ3-CG1 3.97Å; F778-V782 HydrophobicContact CD1-CG2 4.21Å; F778-V782 HydrophobicContact CD2-CG2 4.49Å; F778-V782 HydrophobicContact CE1-CG2 3.84Å; F778-V782 HydrophobicContact CE2-CG2 4.14Å; F778-V782 HydrophobicContact CZ-CG2 3.81Å; F778-V782 WeakPolarHBondContact O-CG2 3.21Å; F778-V782 PolarHBondContact O-N 3.46Å; W779-V782 HydrophobicContact CE3-CB 4.29Å; W779-V782 HydrophobicContact CE3-CG1 4.23Å; W779-V782 HydrophobicContact CZ3-CG1 4.15Å; V782-M785 HydrophobicContact CG2-SD 4.44Å; V782-R790 HydrophobicContact CG1-CG 4.38Å; V782-R790 PolarHBondContact O-NE 2.82Å; V782-L793 HydrophobicContact CG2-CD2 3.52Å |
| 783 | K | 96.2 | Very high | 93.8 | Very high | 156 Ų | 156 | 44.3 Ų | 44.3 | 68% | 0.678 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -75.8 | -35.8 | 171.3 | -172.7 | 179.8 | 177.6 | -177.6 | 0 | 112.9 | L756 W779 Q780 F781 M785 R790 | L756-K783 HydrophobicContact CD1-CB 4.2Å; L756-K783 HydrophobicContact CD1-CG 4.34Å; W779-K783 WeakPolarHBondContact O-CB 3.36Å; W779-K783 PolarHBondContact O-N 2.99Å; Q780-K783 WeakPolarHBondContact O-CB 3.4Å; Q780-K783 PolarHBondContact O-N 3.17Å; F781-K783 PolarHBondContact O-N 3Å; K783-M785 VanDerWaalsContact C-N 3.35Å; K783-R790 PolarHBondContact O-NH2 2.79Å |
| 784 | E | 95.1 | Very high | 93.5 | Very high | 98 Ų | 98 | 37.6 Ų | 37.6 | 46% | 0.458 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.9 | -27.4 | 172.6 | -73.8 | 174 | -153.4 | 0 | 0 | 113.1 | Q780 F781 Y849 K853 | Q780-E784 PolarHBondContact NE2-OE1 3.33Å; Q780-E784 PolarHBondContact O-N 2.8Å; F781-E784 HydrophobicContact CD2-CB 4.37Å; F781-E784 CarbonylContact O-C 3.56Å; F781-E784 WeakPolarHBondContact O-CA 3.38Å; F781-E784 WeakPolarHBondContact O-CB 3.34Å; F781-E784 PolarHBondContact O-N 2.86Å; E784-Y849 PolarHBondContact OE1-OH 3.49Å; E784-Y849 PolarHBondContact OE2-OH 2.87Å; E784-K853 IonicContact OE2-NZ 2.72Å; E784-K853 PolarHBondContact OE2-NZ 3.02Å |
| 785 | M | 92.4 | Very high | 93 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -61.5 | 145.2 | 173.9 | -72.8 | -177.8 | 179.2 | 0 | 0 | 112.5 | F781 V782 K783 K789 R790 L793 L856 I860 | F781-M785 HydrophobicContact CD1-CE 3.91Å; F781-M785 HydrophobicContact CD2-CG 4.44Å; F781-M785 HydrophobicContact CE1-CE 3.33Å; F781-M785 HydrophobicContact CE2-CE 4.22Å; F781-M785 HydrophobicContact CE2-CG 3.98Å; F781-M785 HydrophobicContact CZ-CE 3.47Å; F781-M785 VanDerWaalsContact CZ-CE 3.47Å; F781-M785 HydrophobicContact CZ-CG 4.1Å; F781-M785 WeakPolarHBondContact O-CG 3.4Å; F781-M785 PolarHBondContact O-N 2.9Å; V782-M785 HydrophobicContact CG2-SD 4.44Å; K783-M785 VanDerWaalsContact C-N 3.35Å; M785-K789 HydrophobicContact CB-CB 3.96Å; M785-K789 HydrophobicContact CG-CB 3.87Å; M785-K789 HydrophobicContact SD-CB 3.93Å; M785-R790 HydrophobicContact CB-CG 3.85Å; M785-R790 PolarHBondContact O-NE 3.03Å; M785-R790 VanDerWaalsContact O-NE 3.09Å; M785-R790 PolarHBondContact O-NH2 2.8Å; M785-R790 HydrophobicContact SD-CG 4.35Å; M785-L793 HydrophobicContact CE-CD2 4.1Å; M785-L793 HydrophobicContact SD-CD2 4.19Å; M785-L856 HydrophobicContact CE-CD2 4.48Å; M785-I860 HydrophobicContact CE-CD1 3.89Å |
| 786 | D | 88.6 | Confident | 92.4 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | trans | -72.6 | 170.9 | 159.7 | 55 | 55.9 | 0 | 0 | 0 | 112.3 | E788 K789 R790 | D786-E788 VanDerWaalsContact C-N 3.29Å; D786-E788 PolarHBondContact O-N 3.09Å; D786-E788 PolarHBondContact OD1-N 3.35Å; D786-K789 PolarHBondContact O-N 3.36Å; D786-K789 WeakPolarHBondContact OD1-CG 3.47Å; D786-K789 PolarHBondContact OD1-N 2.93Å; D786-K789 IonicContact OD1-NZ 3.96Å; D786-K789 PolarHBondContact OD1-NZ 2.68Å; D786-K789 IonicContact OD2-NZ 3.78Å; D786-K789 PolarHBondContact OD2-NZ 2.9Å; D786-R790 VanDerWaalsContact O-CG 3.32Å; D786-R790 WeakPolarHBondContact O-CG 3.48Å; D786-R790 PolarHBondContact O-N 3.11Å | ||
| 787 | N | 86.9 | Confident | 92 | Very high | 20 Ų | 20 | 32 Ų | 32 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.4 | -27.3 | -175.6 | -159.9 | 74.4 | 0 | 0 | 0 | 113.3 | Q752 I754 M791 | Q752-N787 PolarHBondContact O-ND2 2.57Å; I754-N787 PolarHBondContact N-OD1 3.47Å; I754-N787 VanDerWaalsContact N-OD1 3.08Å; N787-M791 VanDerWaalsContact O-CB 3.28Å; N787-M791 WeakPolarHBondContact O-CB 3.45Å; N787-M791 PolarHBondContact O-N 2.93Å |
| 788 | E | 84.4 | Confident | 91.4 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 10% | 0.103 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.8 | -47.5 | 174.3 | -169.9 | -175.1 | 122 | 0 | 0 | 111 | Y386 M751 D786 M791 R792 | Y386-E788 HydrophobicContact CE2-CB 4.41Å; M751-E788 HydrophobicContact CE-CB 4.13Å; M751-E788 HydrophobicContact CE-CG 4.5Å; D786-E788 VanDerWaalsContact C-N 3.29Å; D786-E788 PolarHBondContact O-N 3.09Å; D786-E788 PolarHBondContact OD1-N 3.35Å; E788-M791 PolarHBondContact O-N 2.87Å; E788-R792 PolarHBondContact O-N 3.38Å; E788-R792 IonicContact OE1-CZ 3.86Å; E788-R792 IonicContact OE1-NH1 3.46Å; E788-R792 PolarHBondContact OE1-NH1 3.03Å; E788-R792 IonicContact OE1-NH2 2.69Å |
| 789 | K | 87.3 | Confident | 90.5 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 178.4 | -70.8 | 167.6 | -170.4 | 64.6 | 0 | 112.3 | M785 D786 M791 R792 L793 M857 | M785-K789 HydrophobicContact CB-CB 3.96Å; M785-K789 HydrophobicContact CG-CB 3.87Å; M785-K789 HydrophobicContact SD-CB 3.93Å; D786-K789 PolarHBondContact O-N 3.36Å; D786-K789 WeakPolarHBondContact OD1-CG 3.47Å; D786-K789 PolarHBondContact OD1-N 2.93Å; D786-K789 IonicContact OD1-NZ 3.96Å; D786-K789 PolarHBondContact OD1-NZ 2.68Å; D786-K789 IonicContact OD2-NZ 3.78Å; D786-K789 PolarHBondContact OD2-NZ 2.9Å; K789-M791 VanDerWaalsContact C-N 3.31Å; K789-M791 PolarHBondContact O-N 2.98Å; K789-R792 PolarHBondContact O-N 3.26Å; K789-L793 WeakPolarHBondContact O-CB 3.41Å; K789-L793 PolarHBondContact O-N 2.83Å; K789-M857 HydrophobicContact CD-CE 4.2Å; K789-M857 HydrophobicContact CD-SD 4.2Å |
| 790 | R | 92.1 | Very high | 89.7 | Confident | 47 Ų | 47 | 31 Ų | 31 | 18% | 0.177 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 171.3 | -69.1 | 171.7 | -168.2 | 164 | 12.3 | 111.9 | I754 W759 V782 K783 M785 D786 L793 L794 | I754-R790 HydrophobicContact CD1-CB 3.84Å; W759-R790 HydrophobicContact CZ3-CB 4.25Å; V782-R790 HydrophobicContact CG1-CG 4.38Å; V782-R790 PolarHBondContact O-NE 2.82Å; K783-R790 PolarHBondContact O-NH2 2.79Å; M785-R790 HydrophobicContact CB-CG 3.85Å; M785-R790 PolarHBondContact O-NE 3.03Å; M785-R790 VanDerWaalsContact O-NE 3.09Å; M785-R790 PolarHBondContact O-NH2 2.8Å; M785-R790 HydrophobicContact SD-CG 4.35Å; D786-R790 VanDerWaalsContact O-CG 3.32Å; D786-R790 WeakPolarHBondContact O-CG 3.48Å; D786-R790 PolarHBondContact O-N 3.11Å; R790-L793 PolarHBondContact O-N 3.08Å; R790-L794 PolarHBondContact O-N 2.75Å |
| 791 | M | 87.4 | Confident | 89 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.1 | -38 | 179.3 | -175.9 | -173.6 | 65.4 | 0 | 0 | 112.5 | V746 M751 I754 N787 E788 K789 L793 L794 Q795 C801 | V746-M791 HydrophobicContact CB-CE 4.24Å; V746-M791 HydrophobicContact CG1-CE 3.7Å; V746-M791 HydrophobicContact CG1-SD 4.25Å; V746-M791 HydrophobicContact CG2-CE 3.44Å; V746-M791 VanDerWaalsContact CG2-CE 3.44Å; V746-M791 HydrophobicContact CG2-SD 3.86Å; M751-M791 HydrophobicContact CB-SD 3.98Å; M751-M791 HydrophobicContact CE-CE 3.71Å; M751-M791 HydrophobicContact CE-SD 4.26Å; M751-M791 HydrophobicContact CG-CE 3.9Å; M751-M791 HydrophobicContact CG-SD 3.89Å; M751-M791 HydrophobicContact SD-CE 4.38Å; I754-M791 HydrophobicContact CD1-CB 3.95Å; N787-M791 VanDerWaalsContact O-CB 3.28Å; N787-M791 WeakPolarHBondContact O-CB 3.45Å; N787-M791 PolarHBondContact O-N 2.93Å; E788-M791 PolarHBondContact O-N 2.87Å; K789-M791 VanDerWaalsContact C-N 3.31Å; K789-M791 PolarHBondContact O-N 2.98Å; M791-L793 VanDerWaalsContact C-N 3.3Å; M791-L793 PolarHBondContact O-N 2.91Å; M791-L794 WeakPolarHBondContact O-CB 3.4Å; M791-L794 PolarHBondContact O-N 3.13Å; M791-Q795 WeakPolarHBondContact O-CG 3.5Å; M791-Q795 PolarHBondContact O-N 3.48Å; M791-C801 HydrophobicContact CG-CB 3.89Å; M791-C801 HydrophobicContact SD-CB 4.15Å |
| 792 | R | 86.5 | Confident | 88.3 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 169.3 | -78.7 | -176.9 | 170.5 | 158.2 | -1.4 | 111.6 | R492 E743 E788 K789 F796 | R492-R792 PolarHBondContact O-NH1 2.8Å; R492-R792 PolarHBondContact O-NH2 3.18Å; E743-R792 IonicContact OE1-NH2 3.57Å; E743-R792 PolarHBondContact OE1-NH2 2.84Å; E743-R792 VanDerWaalsContact OE1-NH2 3.1Å; E788-R792 PolarHBondContact O-N 3.38Å; E788-R792 IonicContact OE1-CZ 3.86Å; E788-R792 IonicContact OE1-NH1 3.46Å; E788-R792 PolarHBondContact OE1-NH1 3.03Å; E788-R792 IonicContact OE1-NH2 2.69Å; K789-R792 PolarHBondContact O-N 3.26Å; R792-F796 WeakPolarHBondContact O-CB 3.28Å; R792-F796 PolarHBondContact O-N 2.85Å |
| 793 | L | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 172.3 | 176.8 | 63.7 | 0 | 0 | 0 | 112.4 | W759 F778 V782 M785 K789 R790 M791 F796 V797 L856 I860 | W759-L793 HydrophobicContact CH2-CB 4.39Å; W759-L793 HydrophobicContact CH2-CD2 3.9Å; W759-L793 HydrophobicContact CH2-CG 4.04Å; W759-L793 HydrophobicContact CZ2-CD2 4.36Å; W759-L793 HydrophobicContact CZ2-CG 4.39Å; F778-L793 HydrophobicContact CE2-CD2 4.02Å; F778-L793 HydrophobicContact CZ-CD2 3.93Å; V782-L793 HydrophobicContact CG2-CD2 3.52Å; M785-L793 HydrophobicContact CE-CD2 4.1Å; M785-L793 HydrophobicContact SD-CD2 4.19Å; K789-L793 WeakPolarHBondContact O-CB 3.41Å; K789-L793 PolarHBondContact O-N 2.83Å; R790-L793 PolarHBondContact O-N 3.08Å; M791-L793 VanDerWaalsContact C-N 3.3Å; M791-L793 PolarHBondContact O-N 2.91Å; L793-F796 PolarHBondContact O-N 3.05Å; L793-V797 HydrophobicContact CD1-CG2 4.28Å; L793-V797 WeakPolarHBondContact O-CG2 3.32Å; L793-V797 PolarHBondContact O-N 3.02Å; L793-L856 HydrophobicContact CD1-CD1 3.99Å; L793-L856 HydrophobicContact CD1-CD2 4.3Å; L793-L856 HydrophobicContact CD1-CG 4.38Å; L793-I860 HydrophobicContact CB-CD1 4.41Å; L793-I860 HydrophobicContact CB-CG2 4.22Å; L793-I860 HydrophobicContact CD1-CG2 3.79Å |
| 794 | L | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -57.4 | 171.5 | -176.1 | 67.6 | 0 | 0 | 0 | 110 | I754 R790 M791 F796 V797 T798 L803 F808 | I754-L794 HydrophobicContact CD1-CD2 4.41Å; R790-L794 PolarHBondContact O-N 2.75Å; M791-L794 WeakPolarHBondContact O-CB 3.4Å; M791-L794 PolarHBondContact O-N 3.13Å; L794-F796 PolarHBondContact O-N 2.98Å; L794-F796 VanDerWaalsContact O-N 3.14Å; L794-V797 PolarHBondContact O-N 3.4Å; L794-T798 HydrophobicContact CD1-CG2 3.69Å; L794-T798 HydrophobicContact CG-CG2 4.42Å; L794-T798 PolarHBondContact O-N 3.39Å; L794-T798 PolarHBondContact O-OG1 3.04Å; L794-L803 HydrophobicContact CD1-CD2 3.91Å; L794-L803 HydrophobicContact CD2-CD2 3.72Å; L794-L803 HydrophobicContact CD2-CG 3.99Å; L794-L803 HydrophobicContact CG-CD2 4.46Å; L794-F808 HydrophobicContact CD1-CE1 3.77Å; L794-F808 HydrophobicContact CD1-CZ 4.13Å |
| 795 | Q | 87.3 | Confident | 86 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.1 | -31.8 | 176.1 | -72.7 | 176.7 | -57.2 | 0 | 0 | 113.8 | K742 E745 M791 G799 C801 | K742-Q795 HydrophobicContact CD-CB 3.99Å; K742-Q795 HydrophobicContact CG-CB 4.34Å; K742-Q795 PolarHBondContact O-NE2 3.17Å; E745-Q795 PolarHBondContact OE2-NE2 2.77Å; M791-Q795 WeakPolarHBondContact O-CG 3.5Å; M791-Q795 PolarHBondContact O-N 3.48Å; Q795-G799 VanDerWaalsContact O-CA 3.3Å; Q795-G799 WeakPolarHBondContact O-CA 3.41Å; Q795-G799 PolarHBondContact O-N 3.41Å; Q795-G799 VanDerWaalsContact O-N 3.13Å; Q795-C801 HydrophobicContact CG-CB 3.68Å |
| 796 | F | 87.7 | Confident | 85.4 | Confident | 12 Ų | 12 | 26.2 Ų | 26.2 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 174.5 | 179.9 | -108.5 | 0 | 0 | 0 | 112.2 | R792 L793 L794 S834 L841 A859 I860 T863 | R792-F796 WeakPolarHBondContact O-CB 3.28Å; R792-F796 PolarHBondContact O-N 2.85Å; L793-F796 PolarHBondContact O-N 3.05Å; L794-F796 PolarHBondContact O-N 2.98Å; L794-F796 VanDerWaalsContact O-N 3.14Å; F796-S834 WeakPolarHBondContact O-CB 3.31Å; F796-S834 PolarHBondContact O-OG 2.9Å; F796-L841 HydrophobicContact CD1-CD1 4.15Å; F796-L841 HydrophobicContact CE1-CD1 3.75Å; F796-A859 HydrophobicContact CE1-CB 4.49Å; F796-A859 HydrophobicContact CE2-CB 4.33Å; F796-A859 WeakPolarHBondContact CE2-O 3.38Å; F796-A859 HydrophobicContact CZ-CB 3.96Å; F796-I860 HydrophobicContact CB-CG2 3.95Å; F796-I860 HydrophobicContact CD1-CG2 4.11Å; F796-I860 HydrophobicContact CG-CG2 3.99Å; F796-T863 HydrophobicContact CD2-CG2 3.67Å; F796-T863 HydrophobicContact CE2-CG2 4.22Å |
| 797 | V | 89.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -96 | -30.7 | -172.8 | 179.8 | 0 | 0 | 0 | 0 | 113.7 | L793 L794 F820 T836 N839 L841 | L793-V797 HydrophobicContact CD1-CG2 4.28Å; L793-V797 WeakPolarHBondContact O-CG2 3.32Å; L793-V797 PolarHBondContact O-N 3.02Å; L794-V797 PolarHBondContact O-N 3.4Å; V797-F820 HydrophobicContact CB-CD2 4.39Å; V797-F820 HydrophobicContact CB-CE2 3.62Å; V797-F820 HydrophobicContact CB-CZ 4.21Å; V797-F820 HydrophobicContact CG1-CD2 3.81Å; V797-F820 HydrophobicContact CG1-CE2 3.37Å; V797-F820 HydrophobicContact CG1-CZ 3.9Å; V797-F820 HydrophobicContact CG2-CE2 3.99Å; V797-F820 HydrophobicContact CG2-CZ 4.11Å; V797-T836 WeakPolarHBondContact O-CA 3.25Å; V797-N839 VanDerWaalsContact CG1-C 3.5Å; V797-N839 WeakPolarHBondContact CG1-O 3.26Å; V797-N839 WeakPolarHBondContact O-CA 3.42Å; V797-L841 HydrophobicContact CG1-CB 4.24Å; V797-L841 HydrophobicContact CG2-CB 3.91Å; V797-L841 HydrophobicContact CG2-CD1 3.98Å; V797-L841 HydrophobicContact CG2-CG 4.4Å |
| 798 | T | 85.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -111 | -10.3 | -177 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | Y586 L794 T800 L811 F820 N839 | Y586-T798 PolarHBondContact OH-O 3.4Å; L794-T798 HydrophobicContact CD1-CG2 3.69Å; L794-T798 HydrophobicContact CG-CG2 4.42Å; L794-T798 PolarHBondContact O-N 3.39Å; L794-T798 PolarHBondContact O-OG1 3.04Å; T798-T800 PolarHBondContact O-N 2.91Å; T798-T800 PolarHBondContact OG1-N 3.02Å; T798-T800 PolarHBondContact OG1-O 2.76Å; T798-L811 HydrophobicContact CG2-CD2 4.5Å; T798-F820 HydrophobicContact CG2-CD2 4.43Å; T798-N839 WeakPolarHBondContact CA-OD1 3.23Å; T798-N839 VanDerWaalsContact CB-OD1 3.27Å; T798-N839 WeakPolarHBondContact CB-OD1 3.15Å; T798-N839 HydrophobicContact CG2-CB 4.25Å; T798-N839 VanDerWaalsContact CG2-OD1 3.3Å; T798-N839 WeakPolarHBondContact CG2-OD1 3.35Å |
| 799 | G | 80 | Confident | 85.9 | Confident | 14 Ų | 14 | 23.2 Ų | 23.2 | 14% | 0.144 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 76.3 | -1.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L627 Q795 | L627-G799 WeakPolarHBondContact CG-O 3.15Å; Q795-G799 VanDerWaalsContact O-CA 3.3Å; Q795-G799 WeakPolarHBondContact O-CA 3.41Å; Q795-G799 PolarHBondContact O-N 3.41Å; Q795-G799 VanDerWaalsContact O-N 3.13Å |
| 800 | T | 81.1 | Confident | 85.8 | Confident | 30 Ų | 30 | 24.8 Ų | 24.8 | 18% | 0.184 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -141.4 | 150.9 | 179.1 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | E745 T798 R802 | E745-T800 WeakPolarHBondContact OE1-CA 3.16Å; E745-T800 WeakPolarHBondContact OE1-CB 3.23Å; E745-T800 PolarHBondContact OE1-OG1 2.97Å; T798-T800 PolarHBondContact O-N 2.91Å; T798-T800 PolarHBondContact OG1-N 3.02Å; T798-T800 PolarHBondContact OG1-O 2.76Å; T800-R802 VanDerWaalsContact C-N 3.31Å; T800-R802 PolarHBondContact OG1-N 2.74Å |
| 801 | C | 83.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -81.2 | -10.8 | 174.9 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | E745 V746 M791 Q795 | E745-C801 VanDerWaalsContact CD-N 3.28Å; E745-C801 VanDerWaalsContact CD-SG 3.56Å; E745-C801 PolarHBondContact OE1-N 3.35Å; E745-C801 PolarHBondContact OE2-N 2.99Å; V746-C801 HydrophobicContact CG2-CB 3.96Å; M791-C801 HydrophobicContact CG-CB 3.89Å; M791-C801 HydrophobicContact SD-CB 4.15Å; Q795-C801 HydrophobicContact CG-CB 3.68Å |
| 802 | R | 83.2 | Confident | 85.2 | Confident | 64 Ų | 64 | 26.3 Ų | 26.3 | 24% | 0.242 | 16% | 0.158 | C | C | . | . | trans | -89.2 | 145.8 | -173.1 | -52.4 | -173.9 | -57.7 | 143.2 | 7.8 | 111.8 | D622 C749 T800 | D622-R802 PolarHBondContact O-NH1 2.69Å; D622-R802 WeakPolarHBondContact OD1-CD 3.35Å; D622-R802 IonicContact OD1-CZ 3.1Å; D622-R802 IonicContact OD1-NH1 2.82Å; D622-R802 PolarHBondContact OD1-NH1 3.06Å; C749-R802 HydrophobicContact CB-CG 4.02Å; T800-R802 VanDerWaalsContact C-N 3.31Å; T800-R802 PolarHBondContact OG1-N 2.74Å | ||
| 803 | L | 83.4 | Confident | 84.7 | Confident | 23 Ų | 23 | 25.3 Ų | 25.3 | 12% | 0.12 | 16% | 0.155 | C | C | . | . | trans | -109.2 | 150.5 | 166.2 | -62.9 | 174 | 0 | 0 | 0 | 111.5 | L794 F808 L811 | L794-L803 HydrophobicContact CD1-CD2 3.91Å; L794-L803 HydrophobicContact CD2-CD2 3.72Å; L794-L803 HydrophobicContact CD2-CG 3.99Å; L794-L803 HydrophobicContact CG-CD2 4.46Å; L803-F808 HydrophobicContact CD1-CD2 3.98Å; L803-F808 HydrophobicContact CD1-CE2 3.37Å; L803-F808 HydrophobicContact CD1-CZ 3.72Å; L803-F808 HydrophobicContact CD2-CD1 4.24Å; L803-F808 HydrophobicContact CD2-CD2 4.44Å; L803-F808 HydrophobicContact CD2-CE1 3.84Å; L803-F808 HydrophobicContact CD2-CE2 4.08Å; L803-F808 HydrophobicContact CD2-CZ 3.75Å; L803-F808 HydrophobicContact CG-CE2 4.4Å; L803-F808 HydrophobicContact CG-CZ 4.39Å; L803-L811 HydrophobicContact CD2-CD2 4.25Å | ||
| 804 | P | 80.8 | Confident | 83.6 | Confident | 43 Ų | 43 | 26.3 Ų | 26.3 | 28% | 0.279 | 16% | 0.162 | S | C | . | . | trans | -58.9 | 162.2 | 167.3 | -22.3 | 33.7 | 0 | 0 | 0 | 112.8 | G806 G807 D810 L811 | P804-G806 VanDerWaalsContact C-N 3.25Å; P804-G806 PolarHBondContact O-N 3.32Å; P804-G807 PolarHBondContact O-N 3.23Å; P804-D810 HydrophobicContact CB-CB 4.08Å; P804-D810 VanDerWaalsContact CG-O 3.31Å; P804-D810 WeakPolarHBondContact CG-O 3.41Å; P804-L811 HydrophobicContact CG-CD2 4.46Å | ||
| 805 | V | 75.8 | Confident | 82.5 | Confident | 87 Ų | 87 | 32.5 Ų | 32.5 | 53% | 0.527 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.2 | -178.4 | 178.7 | 0 | 0 | 0 | 0 | 112.7 | A376 Q379 G807 | A376-V805 HydrophobicContact CB-CG2 3.91Å; Q379-V805 PolarHBondContact NE2-O 2.95Å; V805-G807 VanDerWaalsContact C-N 3.32Å |
| 806 | G | 78.6 | Confident | 81.9 | Confident | 37 Ų | 37 | 32.4 Ų | 32.4 | 38% | 0.381 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 12.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P804 D810 | P804-G806 VanDerWaalsContact C-N 3.25Å; P804-G806 PolarHBondContact O-N 3.32Å; G806-D810 WeakPolarHBondContact CA-OD2 3.44Å |
| 807 | G | 86.9 | Confident | 81.7 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | 71.5 | -146.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P804 V805 A809 D810 | P804-G807 PolarHBondContact O-N 3.23Å; V805-G807 VanDerWaalsContact C-N 3.32Å; G807-A809 PolarHBondContact O-N 2.95Å; G807-D810 PolarHBondContact O-N 3.48Å |
| 808 | F | 92.3 | Very high | 81.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -71.1 | -10.7 | -177.9 | -71 | -91.3 | 0 | 0 | 0 | 113.6 | I754 D758 W759 N762 L794 L803 L811 | I754-F808 HydrophobicContact CG2-CE2 4Å; I754-F808 HydrophobicContact CG2-CZ 3.95Å; D758-F808 HydrophobicContact CB-CD2 4.44Å; D758-F808 WeakPolarHBondContact OD2-CB 3.39Å; D758-F808 WeakPolarHBondContact OD2-CD2 3.3Å; D758-F808 PolarHBondContact OD2-N 3.12Å; W759-F808 HydrophobicContact CB-CD1 4.1Å; W759-F808 HydrophobicContact CB-CD2 3.73Å; W759-F808 HydrophobicContact CB-CE1 4Å; W759-F808 HydrophobicContact CB-CE2 3.6Å; W759-F808 HydrophobicContact CB-CG 3.99Å; W759-F808 HydrophobicContact CB-CZ 3.74Å; W759-F808 AromaticContact CD1-CD1 3.37Å; W759-F808 AromaticContact CD1-CE1 3.24Å; W759-F808 AromaticContact CD1-CZ 3.84Å; W759-F808 HydrophobicContact CD2-CD1 4.44Å; W759-F808 AromaticContact CD2-CE1 3.62Å; W759-F808 HydrophobicContact CD2-CE1 3.62Å; W759-F808 HydrophobicContact CD2-CE2 4.27Å; W759-F808 AromaticContact CD2-CZ 3.51Å; W759-F808 HydrophobicContact CD2-CZ 3.51Å; W759-F808 AromaticContact CE2-CE1 3.64Å; W759-F808 AromaticContact CE2-CZ 3.95Å; W759-F808 HydrophobicContact CE3-CE1 4.45Å; W759-F808 AromaticContact CE3-CZ 3.93Å; W759-F808 HydrophobicContact CE3-CZ 3.93Å; W759-F808 AromaticContact CG-CD1 3.74Å; W759-F808 HydrophobicContact CG-CD1 3.74Å; W759-F808 HydrophobicContact CG-CD2 4.21Å; W759-F808 AromaticContact CG-CE1 3.37Å; W759-F808 HydrophobicContact CG-CE1 3.37Å; W759-F808 AromaticContact CG-CE2 3.86Å; W759-F808 HydrophobicContact CG-CE2 3.86Å; W759-F808 HydrophobicContact CG-CG 4.15Å; W759-F808 AromaticContact CG-CZ 3.44Å; W759-F808 HydrophobicContact CG-CZ 3.44Å; W759-F808 VanDerWaalsContact CG-CZ 3.44Å; W759-F808 HydrophobicContact CZ2-CE1 4.44Å; W759-F808 AromaticContact NE1-CD1 3.91Å; W759-F808 AromaticContact NE1-CE1 3.44Å; N762-F808 HydrophobicContact CB-CB 3.84Å; N762-F808 WeakPolarHBondContact CB-O 3.35Å; L794-F808 HydrophobicContact CD1-CE1 3.77Å; L794-F808 HydrophobicContact CD1-CZ 4.13Å; L803-F808 HydrophobicContact CD1-CD2 3.98Å; L803-F808 HydrophobicContact CD1-CE2 3.37Å; L803-F808 HydrophobicContact CD1-CZ 3.72Å; L803-F808 HydrophobicContact CD2-CD1 4.24Å; L803-F808 HydrophobicContact CD2-CD2 4.44Å; L803-F808 HydrophobicContact CD2-CE1 3.84Å; L803-F808 HydrophobicContact CD2-CE2 4.08Å; L803-F808 HydrophobicContact CD2-CZ 3.75Å; L803-F808 HydrophobicContact CG-CE2 4.4Å; L803-F808 HydrophobicContact CG-CZ 4.39Å; F808-L811 HydrophobicContact CB-CD1 4.45Å; F808-L811 HydrophobicContact CD1-CD1 3.67Å; F808-L811 HydrophobicContact CE1-CD1 4.4Å; F808-L811 HydrophobicContact CG-CD1 4.45Å |
| 809 | A | 90.9 | Very high | 82 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -66.7 | -38.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N762 G807 K819 | N762-A809 WeakPolarHBondContact OD1-CA 3.43Å; G807-A809 PolarHBondContact O-N 2.95Å; A809-K819 WeakPolarHBondContact O-CE 3.4Å; A809-K819 PolarHBondContact O-NZ 3.04Å |
| 810 | D | 86.8 | Confident | 82.8 | Confident | 86 Ų | 86 | 42.1 Ų | 42.1 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -108.7 | 21.6 | -167.7 | -61.2 | -14.9 | 0 | 0 | 0 | 112.3 | P804 G806 G807 M812 | P804-D810 HydrophobicContact CB-CB 4.08Å; P804-D810 VanDerWaalsContact CG-O 3.31Å; P804-D810 WeakPolarHBondContact CG-O 3.41Å; G806-D810 WeakPolarHBondContact CA-OD2 3.44Å; G807-D810 PolarHBondContact O-N 3.48Å; D810-M812 WeakPolarHBondContact O-CE 3.44Å; D810-M812 PolarHBondContact O-N 2.75Å |
| 811 | L | 86.8 | Confident | 83.6 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | trans | -57.3 | 124.6 | 174.6 | -85.8 | 171.8 | 0 | 0 | 0 | 110.8 | T798 L803 P804 F808 Q818 F820 | T798-L811 HydrophobicContact CG2-CD2 4.5Å; L803-L811 HydrophobicContact CD2-CD2 4.25Å; P804-L811 HydrophobicContact CG-CD2 4.46Å; F808-L811 HydrophobicContact CB-CD1 4.45Å; F808-L811 HydrophobicContact CD1-CD1 3.67Å; F808-L811 HydrophobicContact CE1-CD1 4.4Å; F808-L811 HydrophobicContact CG-CD1 4.45Å; L811-Q818 CarbonylContact O-C 3.59Å; L811-Q818 VanDerWaalsContact O-C 3.32Å; L811-Q818 PolarHBondContact O-N 3.15Å; L811-F820 HydrophobicContact CD1-CB 3.92Å | ||
| 812 | M | 79.5 | Confident | 84.3 | Confident | 73 Ų | 73 | 40.8 Ų | 40.8 | 36% | 0.36 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 158.2 | 171.2 | -62 | -61.9 | 113.3 | 0 | 0 | 110.6 | Y586 D810 G816 P817 N839 | Y586-M812 HydrophobicContact CD2-CB 4.06Å; Y586-M812 WeakPolarHBondContact CE2-O 3.35Å; D810-M812 WeakPolarHBondContact O-CE 3.44Å; D810-M812 PolarHBondContact O-N 2.75Å; M812-G816 CarbonylContact C-O 3.32Å; M812-G816 WeakPolarHBondContact CA-O 3.17Å; M812-P817 HydrophobicContact CE-CB 3.88Å; M812-P817 HydrophobicContact CE-CG 3.89Å; M812-P817 HydrophobicContact SD-CB 4.4Å; M812-P817 HydrophobicContact SD-CG 4.07Å; M812-N839 PolarHBondContact O-ND2 2.76Å |
| 813 | G | 76.8 | Confident | 85 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | -161.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | N815 G816 C837 | G813-N815 PolarHBondContact O-N 3.08Å; G813-G816 PolarHBondContact N-O 3.4Å; G813-G816 PolarHBondContact O-N 2.82Å; G813-C837 WeakPolarHBondContact CA-O 3.46Å |
| 814 | S | 68.9 | Low | 85.7 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.5 | -177.4 | 65.6 | 0 | 0 | 0 | 0 | 115.2 | C837 | S814-C837 PolarHBondContact N-O 3.38Å; S814-C837 PolarHBondContact OG-O 3.33Å |
| 815 | N | 68.8 | Low | 86.2 | Confident | 129 Ų | 129 | 42.5 Ų | 42.5 | 69% | 0.69 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | 38 | -178 | -58.3 | -27.1 | 0 | 0 | 0 | 110.6 | D584 G813 | D584-N815 VanDerWaalsContact OD2-C 3.26Å; D584-N815 VanDerWaalsContact OD2-CA 3.3Å; D584-N815 WeakPolarHBondContact OD2-CA 3.48Å; G813-N815 PolarHBondContact O-N 3.08Å |
| 816 | G | 74.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.2 | -146.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D584 M812 G813 Q818 | D584-G816 VanDerWaalsContact CG-CA 3.47Å; D584-G816 WeakPolarHBondContact OD1-CA 3.4Å; D584-G816 PolarHBondContact OD1-N 2.74Å; D584-G816 PolarHBondContact OD2-N 3.25Å; M812-G816 CarbonylContact C-O 3.32Å; M812-G816 WeakPolarHBondContact CA-O 3.17Å; G813-G816 PolarHBondContact N-O 3.4Å; G813-G816 PolarHBondContact O-N 2.82Å; G816-Q818 PolarHBondContact O-N 3.32Å; G816-Q818 VanDerWaalsContact O-N 3.13Å |
| 817 | P | 83.1 | Confident | 87.5 | Confident | 112 Ų | 112 | 44.7 Ų | 44.7 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 112.4 | -172.8 | -23.6 | 33 | 0 | 0 | 0 | 113.6 | M812 | M812-P817 HydrophobicContact CE-CB 3.88Å; M812-P817 HydrophobicContact CE-CG 3.89Å; M812-P817 HydrophobicContact SD-CB 4.4Å; M812-P817 HydrophobicContact SD-CG 4.07Å |
| 818 | Q | 86 | Confident | 87.6 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | trans | -144.9 | 97 | -169.7 | 176.7 | 49.4 | 78.2 | 0 | 0 | 111 | L811 G816 F838 N839 | L811-Q818 CarbonylContact O-C 3.59Å; L811-Q818 VanDerWaalsContact O-C 3.32Å; L811-Q818 PolarHBondContact O-N 3.15Å; G816-Q818 PolarHBondContact O-N 3.32Å; G816-Q818 VanDerWaalsContact O-N 3.13Å; Q818-F838 WeakPolarHBondContact CG-O 3.37Å; Q818-F838 PolarHBondContact NE2-O 3.08Å; Q818-N839 PolarHBondContact O-ND2 3.01Å | ||
| 819 | K | 93.9 | Very high | 87.4 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 30% | 0.3 | 28% | 0.281 | S | S | . | . | trans | -66.5 | 156.1 | -178.8 | -56.4 | -162.1 | 179.2 | -157.6 | 0 | 113.1 | N762 I764 A809 C821 | N762-K819 HydrophobicContact CB-CD 4.39Å; N762-K819 PolarHBondContact OD1-NZ 2.95Å; I764-K819 HydrophobicContact CD1-CB 3.94Å; I764-K819 HydrophobicContact CD1-CG 4.45Å; I764-K819 HydrophobicContact CG1-CB 4.26Å; A809-K819 WeakPolarHBondContact O-CE 3.4Å; A809-K819 PolarHBondContact O-NZ 3.04Å; K819-C821 PolarHBondContact O-N 3.28Å | ||
| 820 | F | 97.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | trans | -52.4 | 129.6 | 172 | -170.7 | -84.6 | 0 | 0 | 0 | 111.1 | W759 T763 I764 F778 V797 T798 L811 I822 N839 | W759-F820 AromaticContact CE2-CE2 3.78Å; W759-F820 AromaticContact CE2-CZ 3.87Å; W759-F820 HydrophobicContact CZ2-CD2 4.29Å; W759-F820 HydrophobicContact CZ2-CE1 4.49Å; W759-F820 AromaticContact CZ2-CE2 3.56Å; W759-F820 HydrophobicContact CZ2-CE2 3.56Å; W759-F820 AromaticContact CZ2-CZ 3.7Å; W759-F820 HydrophobicContact CZ2-CZ 3.7Å; W759-F820 AromaticContact NE1-CD1 3.44Å; W759-F820 AromaticContact NE1-CD2 3.34Å; W759-F820 VanDerWaalsContact NE1-CD2 3.34Å; W759-F820 AromaticContact NE1-CE1 3.5Å; W759-F820 AromaticContact NE1-CE2 3.38Å; W759-F820 AromaticContact NE1-CG 3.37Å; W759-F820 AromaticContact NE1-CZ 3.47Å; T763-F820 WeakPolarHBondContact CA-O 3.42Å; T763-F820 HydrophobicContact CG2-CD1 3.82Å; T763-F820 HydrophobicContact CG2-CE1 4.37Å; T763-F820 WeakPolarHBondContact OG1-CD1 3.45Å; I764-F820 PolarHBondContact N-O 2.83Å; F778-F820 HydrophobicContact CZ-CE1 4.31Å; F778-F820 HydrophobicContact CZ-CZ 4.25Å; V797-F820 HydrophobicContact CB-CD2 4.39Å; V797-F820 HydrophobicContact CB-CE2 3.62Å; V797-F820 HydrophobicContact CB-CZ 4.21Å; V797-F820 HydrophobicContact CG1-CD2 3.81Å; V797-F820 HydrophobicContact CG1-CE2 3.37Å; V797-F820 HydrophobicContact CG1-CZ 3.9Å; V797-F820 HydrophobicContact CG2-CE2 3.99Å; V797-F820 HydrophobicContact CG2-CZ 4.11Å; T798-F820 HydrophobicContact CG2-CD2 4.43Å; L811-F820 HydrophobicContact CD1-CB 3.92Å; F820-I822 HydrophobicContact CD1-CG1 4.43Å; F820-I822 HydrophobicContact CE1-CD1 4.16Å; F820-I822 HydrophobicContact CE1-CG1 3.84Å; F820-N839 WeakPolarHBondContact CA-O 3.21Å | ||
| 821 | C | 97.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.5 | -172.8 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | I764 K819 N839 R840 L841 | I764-C821 WeakPolarHBondContact O-CA 3.28Å; K819-C821 PolarHBondContact O-N 3.28Å; C821-N839 PolarHBondContact N-O 2.73Å; C821-R840 HydrophobicContact CB-CB 4.5Å; C821-R840 HydrophobicContact CB-CG 4.37Å; C821-R840 CarbonylContact O-C 3.6Å; C821-R840 WeakPolarHBondContact O-CA 3.4Å; C821-L841 PolarHBondContact O-N 3.13Å |
| 822 | I | 98.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.5 | 170.5 | -52.5 | -178 | 0 | 0 | 0 | 109.2 | T763 I764 Y765 R766 Y768 I775 F778 F820 L841 L843 | T763-I822 HydrophobicContact CG2-CD1 4.26Å; T763-I822 HydrophobicContact CG2-CG1 4.08Å; I764-I822 PolarHBondContact O-N 2.93Å; Y765-I822 WeakPolarHBondContact CA-O 3.42Å; Y765-I822 HydrophobicContact CD1-CB 4.23Å; Y765-I822 HydrophobicContact CE1-CD1 4.17Å; R766-I822 PolarHBondContact N-O 3.08Å; Y768-I822 HydrophobicContact CD2-CG2 4.29Å; Y768-I822 HydrophobicContact CE2-CG2 4.46Å; I775-I822 HydrophobicContact CD1-CB 4.19Å; I775-I822 HydrophobicContact CD1-CD1 4.24Å; I775-I822 HydrophobicContact CD1-CG2 3.75Å; F778-I822 HydrophobicContact CD1-CD1 3.61Å; F778-I822 HydrophobicContact CD2-CD1 4.29Å; F778-I822 HydrophobicContact CE1-CD1 3.55Å; F778-I822 HydrophobicContact CE2-CD1 4.23Å; F778-I822 HydrophobicContact CG-CD1 3.99Å; F778-I822 HydrophobicContact CZ-CD1 3.87Å; F820-I822 HydrophobicContact CD1-CG1 4.43Å; F820-I822 HydrophobicContact CE1-CD1 4.16Å; F820-I822 HydrophobicContact CE1-CG1 3.84Å; I822-L841 WeakPolarHBondContact CA-O 3.35Å; I822-L841 HydrophobicContact CD1-CD2 4.49Å; I822-L841 HydrophobicContact CG1-CB 4.46Å; I822-L841 HydrophobicContact CG1-CD2 4.4Å; I822-L841 HydrophobicContact CG2-CD2 4.49Å; I822-L843 HydrophobicContact CG2-CB 3.66Å; I822-L843 HydrophobicContact CG2-CD2 3.75Å; I822-L843 HydrophobicContact CG2-CG 4.37Å |
| 823 | E | 97.8 | Very high | 88.2 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.9 | -178 | -171 | 152.6 | -163.6 | 0 | 0 | 112.1 | R766 H767 V825 R840 L841 L843 | R766-E823 HydrophobicContact CB-CB 3.85Å; R766-E823 HydrophobicContact CB-CG 3.55Å; R766-E823 VanDerWaalsContact CD-CD 3.46Å; R766-E823 WeakPolarHBondContact CD-OE2 3.23Å; R766-E823 WeakPolarHBondContact O-CA 3.28Å; H767-E823 IonicContact CD2-OE1 3.46Å; H767-E823 PolarHBondContact CD2-OE1 3.13Å; H767-E823 IonicContact NE2-OE1 3.91Å; E823-V825 HydrophobicContact CB-CG2 4.25Å; E823-V825 HydrophobicContact CG-CG2 3.84Å; E823-V825 PolarHBondContact O-N 2.83Å; E823-R840 HydrophobicContact CB-CG 4.23Å; E823-R840 WeakPolarHBondContact OE2-CD 3.09Å; E823-R840 IonicContact OE2-CZ 3.31Å; E823-R840 IonicContact OE2-NE 3.16Å; E823-R840 IonicContact OE2-NH1 2.7Å; E823-R840 PolarHBondContact OE2-NH1 2.88Å; E823-L841 PolarHBondContact N-O 2.86Å; E823-L843 PolarHBondContact O-N 2.72Å |
| 824 | K | 97.3 | Very high | 88.7 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | trans | -79.6 | 99.1 | 176.5 | -176.9 | -175.8 | 164.7 | -174.6 | 0 | 110.6 | R766 H767 Y768 P845 | R766-K824 PolarHBondContact O-N 2.77Å; H767-K824 HydrophobicContact CB-CB 3.83Å; H767-K824 WeakPolarHBondContact O-CD 3.33Å; Y768-K824 HydrophobicContact CD1-CB 4.26Å; Y768-K824 HydrophobicContact CD1-CD 4.38Å; Y768-K824 HydrophobicContact CD2-CB 3.66Å; Y768-K824 HydrophobicContact CE1-CB 4.07Å; Y768-K824 HydrophobicContact CE1-CD 4Å; Y768-K824 HydrophobicContact CE1-CG 3.99Å; Y768-K824 VanDerWaalsContact CE2-CA 3.45Å; Y768-K824 HydrophobicContact CE2-CB 3.44Å; Y768-K824 VanDerWaalsContact CE2-CB 3.44Å; Y768-K824 HydrophobicContact CE2-CG 4.01Å; Y768-K824 HydrophobicContact CG-CB 4.07Å; K824-P845 HydrophobicContact CG-CB 4.48Å | ||
| 825 | V | 92.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | trans | -125.6 | 145.5 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | E823 D842 P844 | E823-V825 HydrophobicContact CB-CG2 4.25Å; E823-V825 HydrophobicContact CG-CG2 3.84Å; E823-V825 PolarHBondContact O-N 2.83Å; V825-D842 HydrophobicContact CB-CB 4.02Å; V825-D842 HydrophobicContact CG2-CB 4.13Å; V825-D842 WeakPolarHBondContact CG2-OD2 3.26Å; V825-P844 VanDerWaalsContact O-CA 3.3Å; V825-P844 WeakPolarHBondContact O-CA 3.37Å | ||
| 826 | G | 91 | Very high | 90 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 35% | 0.351 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 81.9 | -164.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | W830 | G826-W830 VanDerWaalsContact CA-CZ3 3.42Š|
| 827 | K | 90.5 | Very high | 90.1 | Very high | 136 Ų | 136 | 50.2 Ų | 50.2 | 59% | 0.591 | 25% | 0.25 | S | S | * | . | trans | -112.3 | 155.7 | -174.4 | -64.1 | 175.8 | -177.3 | 172.6 | 0 | 111.2 | N829 W830 P844 | K827-N829 VanDerWaalsContact CB-OD1 3.28Å; K827-N829 WeakPolarHBondContact CB-OD1 3.49Å; K827-N829 PolarHBondContact O-N 3Å; K827-W830 HydrophobicContact CB-CD2 4.4Å; K827-W830 HydrophobicContact CB-CG 4.29Å; K827-W830 WeakPolarHBondContact O-CB 3.06Å; K827-W830 PolarHBondContact O-N 3.03Å; K827-P844 WeakPolarHBondContact O-CB 3.37Å | ||
| 828 | E | 87.9 | Confident | 90.1 | Very high | 74 Ų | 74 | 48.3 Ų | 48.3 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.9 | -175.9 | 64.2 | 179.4 | 127.5 | 0 | 0 | 116.1 | Y846 K847 Q851 | E828-Y846 VanDerWaalsContact O-CD1 3.3Å; E828-Y846 WeakPolarHBondContact O-CD1 3.18Å; E828-Y846 VanDerWaalsContact O-CE1 3.28Å; E828-Y846 WeakPolarHBondContact O-CE1 3.34Å; E828-K847 WeakPolarHBondContact OE1-CE 3.27Å; E828-K847 IonicContact OE1-NZ 2.65Å; E828-K847 PolarHBondContact OE1-NZ 2.94Å; E828-K847 WeakPolarHBondContact OE2-CD 3.24Å; E828-K847 WeakPolarHBondContact OE2-CE 3.46Å; E828-K847 IonicContact OE2-NZ 2.69Å; E828-K847 PolarHBondContact OE2-NZ 3.43Å; E828-Q851 PolarHBondContact O-NE2 3.28Å |
| 829 | N | 89.4 | Confident | 90.3 | Very high | 102 Ų | 102 | 46 Ų | 46 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -21.7 | 177 | 62.6 | -44.2 | 0 | 0 | 0 | 113.1 | K827 K855 | K827-N829 VanDerWaalsContact CB-OD1 3.28Å; K827-N829 WeakPolarHBondContact CB-OD1 3.49Å; K827-N829 PolarHBondContact O-N 3Å; N829-K855 PolarHBondContact O-NZ 2.92Å |
| 830 | W | 89 | Confident | 90.3 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 39% | 0.386 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -66.2 | 154.1 | -178.8 | -64.8 | 4.1 | 0 | 0 | 0 | 111.4 | G826 K827 P844 Y846 | G826-W830 VanDerWaalsContact CA-CZ3 3.42Å; K827-W830 HydrophobicContact CB-CD2 4.4Å; K827-W830 HydrophobicContact CB-CG 4.29Å; K827-W830 WeakPolarHBondContact O-CB 3.06Å; K827-W830 PolarHBondContact O-N 3.03Å; W830-P844 HydrophobicContact CB-CG 4.25Å; W830-Y846 WeakPolarHBondContact O-CE1 2.91Å; W830-Y846 PolarHBondContact O-OH 2.81Å |
| 831 | L | 89.9 | Confident | 90.3 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 153.4 | 166.2 | -74.6 | 164.3 | 0 | 0 | 0 | 109.9 | K855 F858 F866 | L831-K855 HydrophobicContact CD2-CB 4.3Å; L831-K855 HydrophobicContact CD2-CD 3.64Å; L831-K855 WeakPolarHBondContact CD2-O 3.33Å; L831-K855 HydrophobicContact CG-CD 4.36Å; L831-F858 HydrophobicContact CD1-CD1 3.73Å; L831-F858 HydrophobicContact CD1-CE1 3.73Å; L831-F858 HydrophobicContact CD2-CB 4.23Å; L831-F858 HydrophobicContact CD2-CD1 3.63Å; L831-F858 HydrophobicContact CD2-CE1 4.42Å; L831-F858 HydrophobicContact CD2-CG 4.25Å; L831-F858 HydrophobicContact CG-CD1 4.36Å; L831-F866 HydrophobicContact CD1-CE1 3.83Å; L831-F866 HydrophobicContact CD1-CZ 4.22Å |
| 832 | P | 92.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 146.9 | 169.5 | 32.3 | -32.4 | 0 | 0 | 0 | 109.3 | L841 D842 L843 Y846 K855 L856 A859 | P832-L841 HydrophobicContact CB-CD1 4.19Å; P832-D842 CarbonylContact C-O 3.55Å; P832-D842 WeakPolarHBondContact CA-O 3.17Å; P832-D842 WeakPolarHBondContact CB-O 3.4Å; P832-L843 HydrophobicContact CB-CD1 4.42Å; P832-Y846 VanDerWaalsContact CD-OH 3.28Å; P832-Y846 WeakPolarHBondContact CD-OH 3.41Å; P832-K855 WeakPolarHBondContact CD-O 3.32Å; P832-L856 HydrophobicContact CB-CD1 4.32Å; P832-L856 HydrophobicContact CG-CB 4.48Å; P832-L856 HydrophobicContact CG-CD1 3.77Å; P832-A859 HydrophobicContact CG-CB 3.6Å |
| 833 | R | 88.8 | Confident | 90.1 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 166.8 | -178.7 | -57.3 | -168.8 | -58.1 | -171.4 | 7 | 110 | D842 E869 | R833-D842 HydrophobicContact CB-CB 4.13Å; R833-D842 PolarHBondContact N-O 2.87Å; R833-D842 PolarHBondContact O-N 2.78Å; R833-E869 IonicContact NH1-OE1 3.46Å; R833-E869 PolarHBondContact NH1-OE1 2.77Å |
| 834 | S | 86.9 | Confident | 90.1 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.2 | 179.9 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | K641 F796 R840 | K641-S834 PolarHBondContact NZ-O 3.44Å; F796-S834 WeakPolarHBondContact O-CB 3.31Å; F796-S834 PolarHBondContact O-OG 2.9Å; S834-R840 VanDerWaalsContact CA-O 3.26Å; S834-R840 WeakPolarHBondContact CA-O 3.21Å |
| 835 | H | 83.5 | Confident | 90.1 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 101.7 | 170.7 | -59.8 | -81.1 | 0 | 0 | 0 | 108.1 | E644 C837 F838 N839 R840 D842 | E644-H835 IonicContact OE1-CE1 3.35Å; E644-H835 IonicContact OE1-CG 2.74Å; E644-H835 IonicContact OE1-ND1 3.34Å; E644-H835 PolarHBondContact OE1-ND1 2.83Å; H835-C837 PolarHBondContact O-N 2.95Å; H835-F838 HydrophobicContact CB-CD2 3.93Å; H835-F838 PolarHBondContact O-N 3Å; H835-N839 PolarHBondContact O-N 3.09Å; H835-R840 HydrophobicContact CB-CB 4.48Å; H835-R840 PolarHBondContact CD2-NH2 2.79Å; H835-R840 PolarHBondContact N-O 3.04Å; H835-R840 PolarHBondContact NE2-NH2 2.96Å; H835-R840 VanDerWaalsContact NE2-NH2 3.11Å; H835-R840 PolarHBondContact O-N 3.42Å; H835-R840 VanDerWaalsContact O-N 3.1Å; H835-D842 IonicContact CD2-OD1 3.46Å; H835-D842 IonicContact NE2-OD1 3.34Å; H835-D842 IonicContact NE2-OD2 2.75Å |
| 836 | T | 81.6 | Confident | 90.3 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 9% | 0.086 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.3 | -44.7 | -172.3 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | Y586 V797 F838 N839 | Y586-T836 PolarHBondContact OH-O 2.87Å; V797-T836 WeakPolarHBondContact O-CA 3.25Å; T836-F838 PolarHBondContact O-N 3.32Å; T836-N839 PolarHBondContact O-N 2.71Å; T836-N839 PolarHBondContact O-OD1 2.76Å |
| 837 | C | 76.4 | Confident | 90.6 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -50.2 | -24.4 | 176.6 | -49.8 | 0 | 0 | 0 | 0 | 115.1 | E644 P648 G813 S814 H835 | E644-C837 PolarHBondContact O-SG 2.7Å; P648-C837 HydrophobicContact CG-CB 4.49Å; G813-C837 WeakPolarHBondContact CA-O 3.46Å; S814-C837 PolarHBondContact N-O 3.38Å; S814-C837 PolarHBondContact OG-O 3.33Å; H835-C837 PolarHBondContact O-N 2.95Å |
| 838 | F | 84.4 | Confident | 91 | Very high | 71 Ų | 71 | 40.8 Ų | 40.8 | 31% | 0.311 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -115.4 | 6.1 | 179.6 | -52.7 | -58.7 | 0 | 0 | 0 | 113.5 | Q818 H835 T836 R840 | Q818-F838 WeakPolarHBondContact CG-O 3.37Å; Q818-F838 PolarHBondContact NE2-O 3.08Å; H835-F838 HydrophobicContact CB-CD2 3.93Å; H835-F838 PolarHBondContact O-N 3Å; T836-F838 PolarHBondContact O-N 3.32Å; F838-R840 HydrophobicContact CB-CB 4.19Å; F838-R840 PolarHBondContact O-N 2.79Å |
| 839 | N | 89.9 | Confident | 91.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 40.3 | -169.6 | -62.1 | -46.5 | 0 | 0 | 0 | 112.4 | Y586 V797 T798 M812 Q818 F820 C821 H835 T836 | Y586-N839 PolarHBondContact OH-OD1 3.26Å; V797-N839 VanDerWaalsContact CG1-C 3.5Å; V797-N839 WeakPolarHBondContact CG1-O 3.26Å; V797-N839 WeakPolarHBondContact O-CA 3.42Å; T798-N839 WeakPolarHBondContact CA-OD1 3.23Å; T798-N839 VanDerWaalsContact CB-OD1 3.27Å; T798-N839 WeakPolarHBondContact CB-OD1 3.15Å; T798-N839 HydrophobicContact CG2-CB 4.25Å; T798-N839 VanDerWaalsContact CG2-OD1 3.3Å; T798-N839 WeakPolarHBondContact CG2-OD1 3.35Å; M812-N839 PolarHBondContact O-ND2 2.76Å; Q818-N839 PolarHBondContact O-ND2 3.01Å; F820-N839 WeakPolarHBondContact CA-O 3.21Å; C821-N839 PolarHBondContact N-O 2.73Å; H835-N839 PolarHBondContact O-N 3.09Å; T836-N839 PolarHBondContact O-N 2.71Å; T836-N839 PolarHBondContact O-OD1 2.76Å |
| 840 | R | 93.9 | Very high | 91.8 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130 | -170.7 | -170.8 | 176 | 82.2 | -166.5 | -10.6 | 112.9 | C821 E823 S834 H835 F838 D842 | C821-R840 HydrophobicContact CB-CB 4.5Å; C821-R840 HydrophobicContact CB-CG 4.37Å; C821-R840 CarbonylContact O-C 3.6Å; C821-R840 WeakPolarHBondContact O-CA 3.4Å; E823-R840 HydrophobicContact CB-CG 4.23Å; E823-R840 WeakPolarHBondContact OE2-CD 3.09Å; E823-R840 IonicContact OE2-CZ 3.31Å; E823-R840 IonicContact OE2-NE 3.16Å; E823-R840 IonicContact OE2-NH1 2.7Å; E823-R840 PolarHBondContact OE2-NH1 2.88Å; S834-R840 VanDerWaalsContact CA-O 3.26Å; S834-R840 WeakPolarHBondContact CA-O 3.21Å; H835-R840 HydrophobicContact CB-CB 4.48Å; H835-R840 PolarHBondContact CD2-NH2 2.79Å; H835-R840 PolarHBondContact N-O 3.04Å; H835-R840 PolarHBondContact NE2-NH2 2.96Å; H835-R840 VanDerWaalsContact NE2-NH2 3.11Å; H835-R840 PolarHBondContact O-N 3.42Å; H835-R840 VanDerWaalsContact O-N 3.1Å; F838-R840 HydrophobicContact CB-CB 4.19Å; F838-R840 PolarHBondContact O-N 2.79Å; R840-D842 IonicContact CZ-OD1 2.75Å; R840-D842 IonicContact NE-OD1 3.22Å; R840-D842 PolarHBondContact NE-OD1 2.81Å; R840-D842 IonicContact NH2-OD1 3.53Å; R840-D842 PolarHBondContact NH2-OD1 3.19Å; R840-D842 IonicContact NH2-OD2 3.47Å |
| 841 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 113.7 | 165.1 | -179.5 | 67.6 | 0 | 0 | 0 | 110 | F778 F796 V797 C821 I822 E823 P832 L843 L856 | F778-L841 HydrophobicContact CD2-CD2 4.04Å; F778-L841 HydrophobicContact CE2-CD2 3.43Å; F778-L841 VanDerWaalsContact CE2-CD2 3.43Å; F778-L841 HydrophobicContact CZ-CD2 4.13Å; F796-L841 HydrophobicContact CD1-CD1 4.15Å; F796-L841 HydrophobicContact CE1-CD1 3.75Å; V797-L841 HydrophobicContact CG1-CB 4.24Å; V797-L841 HydrophobicContact CG2-CB 3.91Å; V797-L841 HydrophobicContact CG2-CD1 3.98Å; V797-L841 HydrophobicContact CG2-CG 4.4Å; C821-L841 PolarHBondContact O-N 3.13Å; I822-L841 WeakPolarHBondContact CA-O 3.35Å; I822-L841 HydrophobicContact CD1-CD2 4.49Å; I822-L841 HydrophobicContact CG1-CB 4.46Å; I822-L841 HydrophobicContact CG1-CD2 4.4Å; I822-L841 HydrophobicContact CG2-CD2 4.49Å; E823-L841 PolarHBondContact N-O 2.86Å; P832-L841 HydrophobicContact CB-CD1 4.19Å; L841-L843 HydrophobicContact CD2-CB 4.47Å; L841-L843 HydrophobicContact CG-CB 4.35Å; L841-L843 PolarHBondContact O-N 3.13Å; L841-L856 HydrophobicContact CD1-CD1 4.31Å |
| 842 | D | 95.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 106 | 166.2 | -78.8 | 27.2 | 0 | 0 | 0 | 107.9 | V825 P832 R833 H835 R840 P844 | V825-D842 HydrophobicContact CB-CB 4.02Å; V825-D842 HydrophobicContact CG2-CB 4.13Å; V825-D842 WeakPolarHBondContact CG2-OD2 3.26Å; P832-D842 CarbonylContact C-O 3.55Å; P832-D842 WeakPolarHBondContact CA-O 3.17Å; P832-D842 WeakPolarHBondContact CB-O 3.4Å; R833-D842 HydrophobicContact CB-CB 4.13Å; R833-D842 PolarHBondContact N-O 2.87Å; R833-D842 PolarHBondContact O-N 2.78Å; H835-D842 IonicContact CD2-OD1 3.46Å; H835-D842 IonicContact NE2-OD1 3.34Å; H835-D842 IonicContact NE2-OD2 2.75Å; R840-D842 IonicContact CZ-OD1 2.75Å; R840-D842 IonicContact NE-OD1 3.22Å; R840-D842 PolarHBondContact NE-OD1 2.81Å; R840-D842 IonicContact NH2-OD1 3.53Å; R840-D842 PolarHBondContact NH2-OD1 3.19Å; R840-D842 IonicContact NH2-OD2 3.47Å; D842-P844 WeakPolarHBondContact O-CD 3.47Å |
| 843 | L | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -112.5 | 106.1 | -174.1 | -178.1 | 66.1 | 0 | 0 | 0 | 111.4 | Y768 Q774 I775 F778 I822 E823 P832 L841 Y846 L852 | Y768-L843 HydrophobicContact CE2-CB 4.19Å; Y768-L843 HydrophobicContact CE2-CD2 4.42Å; Y768-L843 HydrophobicContact CE2-CG 4.46Å; Y768-L843 VanDerWaalsContact CE2-O 3.31Å; Y768-L843 WeakPolarHBondContact CE2-O 3.25Å; Y768-L843 PolarHBondContact OH-O 2.84Å; Q774-L843 HydrophobicContact CB-CD2 4.36Å; I775-L843 HydrophobicContact CD1-CD2 4.32Å; F778-L843 HydrophobicContact CB-CD2 4.39Å; F778-L843 HydrophobicContact CD2-CD2 4.47Å; I822-L843 HydrophobicContact CG2-CB 3.66Å; I822-L843 HydrophobicContact CG2-CD2 3.75Å; I822-L843 HydrophobicContact CG2-CG 4.37Å; E823-L843 PolarHBondContact O-N 2.72Å; P832-L843 HydrophobicContact CB-CD1 4.42Å; L841-L843 HydrophobicContact CD2-CB 4.47Å; L841-L843 HydrophobicContact CG-CB 4.35Å; L841-L843 PolarHBondContact O-N 3.13Å; L843-Y846 HydrophobicContact CD1-CD2 4.41Å; L843-Y846 HydrophobicContact CD1-CE2 4.03Å; L843-L852 HydrophobicContact CD1-CD1 4.23Å; L843-L852 HydrophobicContact CD1-CG 4.39Å; L843-L852 HydrophobicContact CD2-CD1 4.3Å | ||
| 844 | P | 97.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | trans | -60.4 | 153.1 | 179.9 | -26.6 | 35.3 | 0 | 0 | 0 | 114.4 | Y768 V825 K827 W830 D842 Y846 | Y768-P844 PolarHBondContact OH-O 2.79Å; V825-P844 VanDerWaalsContact O-CA 3.3Å; V825-P844 WeakPolarHBondContact O-CA 3.37Å; K827-P844 WeakPolarHBondContact O-CB 3.37Å; W830-P844 HydrophobicContact CB-CG 4.25Å; D842-P844 WeakPolarHBondContact O-CD 3.47Å; P844-Y846 HydrophobicContact CB-CD1 4.41Å; P844-Y846 HydrophobicContact CB-CE1 3.88Å; P844-Y846 HydrophobicContact CB-CE2 4.19Å; P844-Y846 HydrophobicContact CG-CE1 4.34Å; P844-Y846 HydrophobicContact CG-CE2 4.39Å; P844-Y846 WeakPolarHBondContact CG-OH 3.34Å; P844-Y846 WeakPolarHBondContact O-CD2 3.47Å; P844-Y846 PolarHBondContact O-N 2.96Å | ||
| 845 | P | 96.7 | Very high | 93.2 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 25% | 0.247 | 19% | 0.193 | C | C | . | . | trans | -79 | 65.3 | -177.6 | 33.3 | -36.3 | 0 | 0 | 0 | 112 | Y768 K824 | Y768-P845 WeakPolarHBondContact OH-CA 3.43Å; K824-P845 HydrophobicContact CG-CB 4.48Å | ||
| 846 | Y | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -54.4 | 152.4 | 177.4 | -60.2 | -56 | 0 | 0 | 0 | 112.8 | Q774 W777 E828 W830 P832 L843 P844 Q851 L852 K855 | Q774-Y846 PolarHBondContact NE2-O 2.96Å; W777-Y846 WeakPolarHBondContact CZ3-O 3.49Å; E828-Y846 VanDerWaalsContact O-CD1 3.3Å; E828-Y846 WeakPolarHBondContact O-CD1 3.18Å; E828-Y846 VanDerWaalsContact O-CE1 3.28Å; E828-Y846 WeakPolarHBondContact O-CE1 3.34Å; W830-Y846 WeakPolarHBondContact O-CE1 2.91Å; W830-Y846 PolarHBondContact O-OH 2.81Å; P832-Y846 VanDerWaalsContact CD-OH 3.28Å; P832-Y846 WeakPolarHBondContact CD-OH 3.41Å; L843-Y846 HydrophobicContact CD1-CD2 4.41Å; L843-Y846 HydrophobicContact CD1-CE2 4.03Å; P844-Y846 HydrophobicContact CB-CD1 4.41Å; P844-Y846 HydrophobicContact CB-CE1 3.88Å; P844-Y846 HydrophobicContact CB-CE2 4.19Å; P844-Y846 HydrophobicContact CG-CE1 4.34Å; P844-Y846 HydrophobicContact CG-CE2 4.39Å; P844-Y846 WeakPolarHBondContact CG-OH 3.34Å; P844-Y846 WeakPolarHBondContact O-CD2 3.47Å; P844-Y846 PolarHBondContact O-N 2.96Å; Y846-Q851 HydrophobicContact CD1-CG 3.74Å; Y846-Q851 HydrophobicContact CE1-CG 4.48Å; Y846-Q851 HydrophobicContact CG-CG 4.17Å; Y846-L852 HydrophobicContact CD2-CB 3.75Å; Y846-L852 HydrophobicContact CD2-CD1 4.22Å; Y846-L852 HydrophobicContact CD2-CG 3.96Å; Y846-L852 HydrophobicContact CG-CB 4.33Å; Y846-K855 HydrophobicContact CE1-CB 4.14Å; Y846-K855 HydrophobicContact CE1-CG 3.91Å; Y846-K855 HydrophobicContact CE2-CB 4.21Å | ||
| 847 | K | 96.6 | Very high | 94 | Very high | 148 Ų | 148 | 40 Ų | 40 | 64% | 0.643 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -89.7 | -20.1 | -176.9 | -74.2 | -178.1 | -178 | 140 | 0 | 114.2 | W777 E828 | W777-K847 WeakPolarHBondContact CH2-O 3.23Å; E828-K847 WeakPolarHBondContact OE1-CE 3.27Å; E828-K847 IonicContact OE1-NZ 2.65Å; E828-K847 PolarHBondContact OE1-NZ 2.94Å; E828-K847 WeakPolarHBondContact OE2-CD 3.24Å; E828-K847 WeakPolarHBondContact OE2-CE 3.46Å; E828-K847 IonicContact OE2-NZ 2.69Å; E828-K847 PolarHBondContact OE2-NZ 3.43Å |
| 848 | S | 97.7 | Very high | 94.6 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -139.4 | 164.5 | -179 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | Q851 L852 | S848-Q851 VanDerWaalsContact OG-CB 3.3Å; S848-Q851 WeakPolarHBondContact OG-CB 3.47Å; S848-Q851 PolarHBondContact OG-N 3.39Å; S848-L852 PolarHBondContact O-N 2.9Å |
| 849 | Y | 97.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 11% | 0.106 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -51.2 | 172.9 | 179.5 | -112.9 | 0 | 0 | 0 | 111.8 | W777 Q780 F781 E784 Q851 L852 K853 | W777-Y849 HydrophobicContact CB-CD2 3.74Å; W777-Y849 HydrophobicContact CB-CE2 4.36Å; W777-Y849 AromaticContact CD1-CD2 3.72Å; W777-Y849 AromaticContact CG-CD2 3.81Å; W777-Y849 HydrophobicContact CG-CD2 3.81Å; W777-Y849 WeakPolarHBondContact O-CE2 3.48Å; Q780-Y849 HydrophobicContact CB-CE2 4.06Å; Q780-Y849 HydrophobicContact CG-CE2 3.94Å; Q780-Y849 VanDerWaalsContact NE2-CZ 3.29Å; F781-Y849 VanDerWaalsContact CA-OH 3.3Å; F781-Y849 WeakPolarHBondContact CA-OH 3.22Å; F781-Y849 HydrophobicContact CB-CE2 3.89Å; F781-Y849 WeakPolarHBondContact CB-OH 3.07Å; E784-Y849 PolarHBondContact OE1-OH 3.49Å; E784-Y849 PolarHBondContact OE2-OH 2.87Å; Y849-Q851 VanDerWaalsContact C-N 3.33Å; Y849-Q851 PolarHBondContact O-N 2.95Å; Y849-L852 WeakPolarHBondContact O-CB 3.39Å; Y849-L852 PolarHBondContact O-N 2.77Å; Y849-L852 VanDerWaalsContact O-N 3.14Å; Y849-K853 HydrophobicContact CE1-CD 3.8Å; Y849-K853 WeakPolarHBondContact O-CB 3.4Å; Y849-K853 PolarHBondContact O-N 2.65Å |
| 850 | E | 97.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 41.6 Ų | 41.6 | 55% | 0.551 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.5 | -37.8 | -177.8 | -53.2 | -52.7 | 152.7 | 0 | 0 | 112.5 | L852 K853 E854 | E850-L852 VanDerWaalsContact C-N 3.33Å; E850-L852 PolarHBondContact O-N 2.82Å; E850-K853 PolarHBondContact O-N 2.78Å; E850-E854 VanDerWaalsContact O-CB 3.3Å; E850-E854 WeakPolarHBondContact O-CB 3.3Å; E850-E854 PolarHBondContact O-N 2.76Å |
| 851 | Q | 96.3 | Very high | 93.8 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.1 | -174.6 | -175.4 | 26.8 | 0 | 0 | 111.7 | E828 Y846 S848 Y849 K855 | E828-Q851 PolarHBondContact O-NE2 3.28Å; Y846-Q851 HydrophobicContact CD1-CG 3.74Å; Y846-Q851 HydrophobicContact CE1-CG 4.48Å; Y846-Q851 HydrophobicContact CG-CG 4.17Å; S848-Q851 VanDerWaalsContact OG-CB 3.3Å; S848-Q851 WeakPolarHBondContact OG-CB 3.47Å; S848-Q851 PolarHBondContact OG-N 3.39Å; Y849-Q851 VanDerWaalsContact C-N 3.33Å; Y849-Q851 PolarHBondContact O-N 2.95Å; Q851-K855 VanDerWaalsContact O-CB 3.24Å; Q851-K855 WeakPolarHBondContact O-CB 3.48Å; Q851-K855 WeakPolarHBondContact O-CG 3.49Å; Q851-K855 PolarHBondContact O-N 3.04Å; Q851-K855 VanDerWaalsContact O-N 3.1Å |
| 852 | L | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 174.9 | -177.5 | 152.8 | 0 | 0 | 0 | 111 | Q774 W777 F781 L843 Y846 S848 Y849 E850 L856 | Q774-L852 HydrophobicContact CB-CD1 4.18Å; Q774-L852 WeakPolarHBondContact O-CD1 3.42Å; W777-L852 HydrophobicContact CB-CD1 3.99Å; F781-L852 HydrophobicContact CD1-CD2 4.32Å; L843-L852 HydrophobicContact CD1-CD1 4.23Å; L843-L852 HydrophobicContact CD1-CG 4.39Å; L843-L852 HydrophobicContact CD2-CD1 4.3Å; Y846-L852 HydrophobicContact CD2-CB 3.75Å; Y846-L852 HydrophobicContact CD2-CD1 4.22Å; Y846-L852 HydrophobicContact CD2-CG 3.96Å; Y846-L852 HydrophobicContact CG-CB 4.33Å; S848-L852 PolarHBondContact O-N 2.9Å; Y849-L852 WeakPolarHBondContact O-CB 3.39Å; Y849-L852 PolarHBondContact O-N 2.77Å; Y849-L852 VanDerWaalsContact O-N 3.14Å; E850-L852 VanDerWaalsContact C-N 3.33Å; E850-L852 PolarHBondContact O-N 2.82Å; L852-L856 WeakPolarHBondContact O-CB 3.28Å; L852-L856 PolarHBondContact O-N 3.21Å |
| 853 | K | 95.8 | Very high | 90.7 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 26% | 0.261 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.5 | -49.6 | -179.8 | -178.3 | 164.5 | 178.9 | 175 | 0 | 112.2 | F781 E784 Y849 E850 M857 | F781-K853 HydrophobicContact CD1-CB 4.36Å; F781-K853 HydrophobicContact CD1-CG 4.31Å; F781-K853 HydrophobicContact CD2-CD 3.91Å; F781-K853 HydrophobicContact CD2-CG 3.81Å; F781-K853 HydrophobicContact CE1-CB 4.48Å; F781-K853 HydrophobicContact CE1-CG 4.16Å; F781-K853 HydrophobicContact CE2-CD 4.08Å; F781-K853 HydrophobicContact CE2-CG 3.7Å; F781-K853 HydrophobicContact CG-CB 4.42Å; F781-K853 HydrophobicContact CG-CG 4.17Å; F781-K853 HydrophobicContact CZ-CG 3.9Å; E784-K853 IonicContact OE2-NZ 2.72Å; E784-K853 PolarHBondContact OE2-NZ 3.02Å; Y849-K853 HydrophobicContact CE1-CD 3.8Å; Y849-K853 WeakPolarHBondContact O-CB 3.4Å; Y849-K853 PolarHBondContact O-N 2.65Å; E850-K853 PolarHBondContact O-N 2.78Å; K853-M857 WeakPolarHBondContact O-CB 3.37Å; K853-M857 WeakPolarHBondContact O-CG 3.41Å; K853-M857 PolarHBondContact O-N 2.73Å |
| 854 | E | 92.9 | Very high | 88.4 | Confident | 130 Ų | 130 | 48.6 Ų | 48.6 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.7 | -55.2 | 175.1 | -175.8 | -158.6 | 136.4 | 0 | 0 | 111.4 | E850 L856 M857 F858 | E850-E854 VanDerWaalsContact O-CB 3.3Å; E850-E854 WeakPolarHBondContact O-CB 3.3Å; E850-E854 PolarHBondContact O-N 2.76Å; E854-L856 PolarHBondContact O-N 3.4Å; E854-M857 PolarHBondContact O-N 3.11Å; E854-F858 WeakPolarHBondContact O-CB 3.39Å; E854-F858 PolarHBondContact O-N 2.74Å |
| 855 | K | 93.7 | Very high | 85.6 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -35.1 | -175.6 | -69.2 | -78.9 | 175.6 | 169.1 | 0 | 112.7 | N829 L831 P832 Y846 Q851 A859 | N829-K855 PolarHBondContact O-NZ 2.92Å; L831-K855 HydrophobicContact CD2-CB 4.3Å; L831-K855 HydrophobicContact CD2-CD 3.64Å; L831-K855 WeakPolarHBondContact CD2-O 3.33Å; L831-K855 HydrophobicContact CG-CD 4.36Å; P832-K855 WeakPolarHBondContact CD-O 3.32Å; Y846-K855 HydrophobicContact CE1-CB 4.14Å; Y846-K855 HydrophobicContact CE1-CG 3.91Å; Y846-K855 HydrophobicContact CE2-CB 4.21Å; Q851-K855 VanDerWaalsContact O-CB 3.24Å; Q851-K855 WeakPolarHBondContact O-CB 3.48Å; Q851-K855 WeakPolarHBondContact O-CG 3.49Å; Q851-K855 PolarHBondContact O-N 3.04Å; Q851-K855 VanDerWaalsContact O-N 3.1Å; K855-A859 WeakPolarHBondContact O-CB 3.36Å; K855-A859 PolarHBondContact O-N 2.76Å; K855-A859 VanDerWaalsContact O-N 3.17Å |
| 856 | L | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.7 | -39.2 | 176.5 | -170.5 | 63.6 | 0 | 0 | 0 | 112.1 | F778 F781 M785 L793 P832 L841 L852 E854 A859 I860 | F778-L856 HydrophobicContact CD2-CD2 3.89Å; F778-L856 HydrophobicContact CE2-CD2 3.89Å; F781-L856 HydrophobicContact CD1-CD2 4.06Å; F781-L856 HydrophobicContact CE1-CB 4.26Å; F781-L856 HydrophobicContact CE1-CD2 4.16Å; F781-L856 HydrophobicContact CE1-CG 4.45Å; M785-L856 HydrophobicContact CE-CD2 4.48Å; L793-L856 HydrophobicContact CD1-CD1 3.99Å; L793-L856 HydrophobicContact CD1-CD2 4.3Å; L793-L856 HydrophobicContact CD1-CG 4.38Å; P832-L856 HydrophobicContact CB-CD1 4.32Å; P832-L856 HydrophobicContact CG-CB 4.48Å; P832-L856 HydrophobicContact CG-CD1 3.77Å; L841-L856 HydrophobicContact CD1-CD1 4.31Å; L852-L856 WeakPolarHBondContact O-CB 3.28Å; L852-L856 PolarHBondContact O-N 3.21Å; E854-L856 PolarHBondContact O-N 3.4Å; L856-A859 PolarHBondContact O-N 2.71Å; L856-I860 HydrophobicContact CD1-CG2 4.39Å; L856-I860 WeakPolarHBondContact O-CG1 3.45Å; L856-I860 WeakPolarHBondContact O-CG2 3.32Å; L856-I860 PolarHBondContact O-N 2.93Å |
| 857 | M | 90.3 | Very high | 79.5 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.3 | -51.2 | 171.7 | -83.6 | -58.7 | -58.2 | 0 | 0 | 111.4 | F781 K789 K853 E854 A859 I860 E861 | F781-M857 HydrophobicContact CE1-CG 4.18Å; F781-M857 HydrophobicContact CE1-SD 4.49Å; F781-M857 HydrophobicContact CZ-CG 3.59Å; F781-M857 HydrophobicContact CZ-SD 3.68Å; K789-M857 HydrophobicContact CD-CE 4.2Å; K789-M857 HydrophobicContact CD-SD 4.2Å; K853-M857 WeakPolarHBondContact O-CB 3.37Å; K853-M857 WeakPolarHBondContact O-CG 3.41Å; K853-M857 PolarHBondContact O-N 2.73Å; E854-M857 PolarHBondContact O-N 3.11Å; M857-A859 VanDerWaalsContact C-N 3.3Å; M857-A859 PolarHBondContact O-N 2.94Å; M857-I860 WeakPolarHBondContact O-CG1 3.5Å; M857-I860 PolarHBondContact O-N 3.46Å; M857-I860 HydrophobicContact SD-CD1 4.19Å; M857-E861 VanDerWaalsContact CE-CD 3.43Å; M857-E861 HydrophobicContact CE-CG 4.04Å; M857-E861 WeakPolarHBondContact CE-OE1 3.44Å; M857-E861 WeakPolarHBondContact O-CB 3.3Å; M857-E861 PolarHBondContact O-N 2.73Å |
| 858 | F | 88.1 | Confident | 76.2 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 46% | 0.456 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.3 | -45.5 | 178.7 | -172 | -85.1 | 0 | 0 | 0 | 111.5 | L831 E854 I860 E861 E862 | L831-F858 HydrophobicContact CD1-CD1 3.73Å; L831-F858 HydrophobicContact CD1-CE1 3.73Å; L831-F858 HydrophobicContact CD2-CB 4.23Å; L831-F858 HydrophobicContact CD2-CD1 3.63Å; L831-F858 HydrophobicContact CD2-CE1 4.42Å; L831-F858 HydrophobicContact CD2-CG 4.25Å; L831-F858 HydrophobicContact CG-CD1 4.36Å; E854-F858 WeakPolarHBondContact O-CB 3.39Å; E854-F858 PolarHBondContact O-N 2.74Å; F858-I860 PolarHBondContact O-N 3.18Å; F858-E861 PolarHBondContact O-N 2.85Å; F858-E862 HydrophobicContact CD1-CB 4.45Å; F858-E862 HydrophobicContact CD1-CG 4.21Å; F858-E862 HydrophobicContact CD2-CG 4.25Å; F858-E862 HydrophobicContact CE1-CB 4.21Å; F858-E862 HydrophobicContact CE1-CG 3.99Å; F858-E862 HydrophobicContact CE2-CG 4.03Å; F858-E862 HydrophobicContact CG-CG 4.35Å; F858-E862 HydrophobicContact CZ-CG 3.9Å; F858-E862 WeakPolarHBondContact O-CB 3.33Å; F858-E862 WeakPolarHBondContact O-CG 3.33Å; F858-E862 PolarHBondContact O-N 3.39Å |
| 859 | A | 86.5 | Confident | 72.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.2 | -35.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F796 P832 K855 L856 M857 T863 | F796-A859 HydrophobicContact CE1-CB 4.49Å; F796-A859 HydrophobicContact CE2-CB 4.33Å; F796-A859 WeakPolarHBondContact CE2-O 3.38Å; F796-A859 HydrophobicContact CZ-CB 3.96Å; P832-A859 HydrophobicContact CG-CB 3.6Å; K855-A859 WeakPolarHBondContact O-CB 3.36Å; K855-A859 PolarHBondContact O-N 2.76Å; K855-A859 VanDerWaalsContact O-N 3.17Å; L856-A859 PolarHBondContact O-N 2.71Å; M857-A859 VanDerWaalsContact C-N 3.3Å; M857-A859 PolarHBondContact O-N 2.94Å; A859-T863 WeakPolarHBondContact O-CG2 3.2Å |
| 860 | I | 86.1 | Confident | 71.6 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -81.6 | -19.2 | 177.3 | 69.7 | 176.1 | 0 | 0 | 0 | 113.5 | M785 L793 F796 L856 M857 F858 T863 | M785-I860 HydrophobicContact CE-CD1 3.89Å; L793-I860 HydrophobicContact CB-CD1 4.41Å; L793-I860 HydrophobicContact CB-CG2 4.22Å; L793-I860 HydrophobicContact CD1-CG2 3.79Å; F796-I860 HydrophobicContact CB-CG2 3.95Å; F796-I860 HydrophobicContact CD1-CG2 4.11Å; F796-I860 HydrophobicContact CG-CG2 3.99Å; L856-I860 HydrophobicContact CD1-CG2 4.39Å; L856-I860 WeakPolarHBondContact O-CG1 3.45Å; L856-I860 WeakPolarHBondContact O-CG2 3.32Å; L856-I860 PolarHBondContact O-N 2.93Å; M857-I860 WeakPolarHBondContact O-CG1 3.5Å; M857-I860 PolarHBondContact O-N 3.46Å; M857-I860 HydrophobicContact SD-CD1 4.19Å; F858-I860 PolarHBondContact O-N 3.18Å; I860-T863 WeakPolarHBondContact O-CG2 3.3Å |
| 861 | E | 77.9 | Confident | 70.3 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 27% | 0.271 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -95.4 | -23 | 178.3 | -67.9 | -167.7 | 158.5 | 0 | 0 | 114.3 | R492 M857 F858 | R492-E861 WeakPolarHBondContact CD-O 3.49Å; R492-E861 VanDerWaalsContact CZ-O 3.29Å; R492-E861 PolarHBondContact NH1-O 2.8Å; M857-E861 VanDerWaalsContact CE-CD 3.43Å; M857-E861 HydrophobicContact CE-CG 4.04Å; M857-E861 WeakPolarHBondContact CE-OE1 3.44Å; M857-E861 WeakPolarHBondContact O-CB 3.3Å; M857-E861 PolarHBondContact O-N 2.73Å; F858-E861 PolarHBondContact O-N 2.85Å |
| 862 | E | 69.4 | Low | 68.8 | Low | 27 Ų | 27 | 68.7 Ų | 68.7 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | trans | -103 | 30.8 | -176.5 | -62.9 | -65.5 | 179.4 | 0 | 0 | 114.5 | R468 R492 F858 E864 G865 | R468-E862 IonicContact CZ-OE1 2.82Å; R468-E862 VanDerWaalsContact CZ-OE1 3.29Å; R468-E862 IonicContact CZ-OE2 3.32Å; R468-E862 IonicContact NH1-OE1 2.78Å; R468-E862 PolarHBondContact NH1-OE1 2.87Å; R468-E862 IonicContact NH1-OE2 3.84Å; R468-E862 VanDerWaalsContact NH2-CD 3.28Å; R468-E862 IonicContact NH2-OE1 3.55Å; R468-E862 PolarHBondContact NH2-OE1 3.01Å; R468-E862 VanDerWaalsContact NH2-OE1 3.1Å; R468-E862 IonicContact NH2-OE2 2.71Å; R468-E862 PolarHBondContact NH2-OE2 3.04Å; R492-E862 IonicContact CZ-OE2 3.24Å; R492-E862 VanDerWaalsContact NH1-CD 3.31Å; R492-E862 IonicContact NH1-OE1 2.93Å; R492-E862 IonicContact NH1-OE2 2.72Å; R492-E862 PolarHBondContact NH1-OE2 2.73Å; R492-E862 IonicContact NH2-OE2 3.62Å; F858-E862 HydrophobicContact CD1-CB 4.45Å; F858-E862 HydrophobicContact CD1-CG 4.21Å; F858-E862 HydrophobicContact CD2-CG 4.25Å; F858-E862 HydrophobicContact CE1-CB 4.21Å; F858-E862 HydrophobicContact CE1-CG 3.99Å; F858-E862 HydrophobicContact CE2-CG 4.03Å; F858-E862 HydrophobicContact CG-CG 4.35Å; F858-E862 HydrophobicContact CZ-CG 3.9Å; F858-E862 WeakPolarHBondContact O-CB 3.33Å; F858-E862 WeakPolarHBondContact O-CG 3.33Å; F858-E862 PolarHBondContact O-N 3.39Å; E862-E864 PolarHBondContact O-N 2.91Å; E862-G865 PolarHBondContact O-N 3.07Å; E862-G865 VanDerWaalsContact O-N 3.11Å | ||
| 863 | T | 57.3 | Low | 67.2 | Low | 36 Ų | 36 | 72.7 Ų | 72.7 | 22% | 0.221 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 1 | -163.1 | 68.3 | 0 | 0 | 0 | 0 | 117.1 | K742 F796 A859 I860 | K742-T863 PolarHBondContact NZ-OG1 3.42Å; F796-T863 HydrophobicContact CD2-CG2 3.67Å; F796-T863 HydrophobicContact CE2-CG2 4.22Å; A859-T863 WeakPolarHBondContact O-CG2 3.2Å; I860-T863 WeakPolarHBondContact O-CG2 3.3Å |
| 864 | E | 49.9 | Very low | 65.4 | Low | 85 Ų | 85 | 73.5 Ų | 73.5 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -8.9 | 173.1 | -62 | -168.8 | 125.8 | 0 | 0 | 113.6 | D740 E862 | D740-E864 HydrophobicContact CB-CG 4.35Å; E862-E864 PolarHBondContact O-N 2.91Å |
| 865 | G | 37.9 | Very low | 63.5 | Low | 56 Ų | 56 | 69.7 Ų | 69.7 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | trans | -104.6 | 6.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | E862 G867 | E862-G865 PolarHBondContact O-N 3.07Å; E862-G865 VanDerWaalsContact O-N 3.11Å; G865-G867 PolarHBondContact O-N 2.74Å | ||
| 866 | F | 35.6 | Very low | 61.4 | Low | 106 Ų | 106 | 71.1 Ų | 71.1 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | trans | -78.8 | 54.2 | -172.9 | -72.7 | -82.7 | 0 | 0 | 0 | 114 | L831 | L831-F866 HydrophobicContact CD1-CE1 3.83Å; L831-F866 HydrophobicContact CD1-CZ 4.22Å | ||
| 867 | G | 31.9 | Very low | 58.9 | Low | 74 Ų | 74 | 76.6 Ų | 76.6 | 76% | 0.763 | 42% | 0.415 | S | S | * | . | trans | -107.4 | 12 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | G865 | G865-G867 PolarHBondContact O-N 2.74Š| ||
| 868 | Q | 26.3 | Very low | 56.3 | Low | 186 Ų | 186 | 79.8 Ų | 79.8 | 87% | 0.869 | 43% | 0.433 | S | S | * | . | trans | -133.5 | 99 | 175.9 | -71 | -178.1 | -19 | 0 | 0 | 109.2 | ||||
| 869 | E | 28.7 | Very low | 53.4 | Low | 220 Ų | 220 | 77.5 Ų | 77.5 | 100% | 1.028 | 43% | 0.431 | S | S | * | . | trans | -101.3 | 0 | 156.1 | -75 | -171.4 | 137.3 | 0 | 0 | 108.7 | R833 | R833-E869 IonicContact NH1-OE1 3.46Å; R833-E869 PolarHBondContact NH1-OE1 2.77Å |
Retrieved 869 of 869 residues in 3478.4 ms
(Link to these results)