| 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 | 31.6 | Very low | 45.2 | Very low | 249 Ų | 249 | 125.5 Ų | 125.5 | 100% | 1.227 | 69% | 0.688 | S | S | * | * | 0 | 42.5 | 0 | -94.1 | -169 | -95.7 | 0 | 0 | 113.2 | |||||
| 2 | A | 34.4 | Very low | 47.7 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | trans | -161.4 | 68.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | T4 | A2-T4 PolarHBondContact O-N 3.46Š| ||
| 3 | S | 26.7 | Very low | 50 | Low | 105 Ų | 105 | 110.7 Ų | 110.7 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | trans | -76.2 | 99.2 | 178.3 | 47 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | T | 31.8 | Very low | 52 | Low | 130 Ų | 130 | 105.5 Ų | 105.5 | 80% | 0.798 | 60% | 0.597 | S | S | * | * | trans | -144.6 | 85.4 | 152.6 | 23.1 | 0 | 0 | 0 | 0 | 105.2 | A2 K6 | A2-T4 PolarHBondContact O-N 3.46Å; T4-K6 PolarHBondContact O-N 3.34Å | ||
| 5 | F | 33 | Very low | 54 | Low | 188 Ų | 188 | 99.3 Ų | 99.3 | 83% | 0.825 | 56% | 0.561 | S | S | * | * | trans | -60 | 106.3 | 168.8 | -88 | -94.5 | 0 | 0 | 0 | 107.2 | E7 | F5-E7 HydrophobicContact CB-CG 4.11Å; F5-E7 PolarHBondContact O-N 3.08Å; F5-E7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | K | 37.1 | Very low | 56 | Low | 166 Ų | 166 | 101.1 Ų | 101.1 | 72% | 0.722 | 56% | 0.556 | S | S | * | * | trans | -70 | 93.7 | 152.4 | -80.7 | -176 | 175 | -177.2 | 0 | 104.6 | T4 N8 L9 | T4-K6 PolarHBondContact O-N 3.34Å; K6-N8 PolarHBondContact O-N 3.4Å; K6-L9 HydrophobicContact CB-CD1 3.91Å; K6-L9 HydrophobicContact CB-CG 4.2Å; K6-L9 HydrophobicContact CD-CD1 4.21Å; K6-L9 PolarHBondContact O-N 3.22Å | ||
| 7 | E | 47.6 | Very low | 57.9 | Low | 172 Ų | 172 | 96.1 Ų | 96.1 | 80% | 0.804 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -0.6 | -166.7 | -73 | 179.9 | 153.7 | 0 | 0 | 116.1 | F5 | F5-E7 HydrophobicContact CB-CG 4.11Å; F5-E7 PolarHBondContact O-N 3.08Å; F5-E7 VanDerWaalsContact O-N 3.1Å |
| 8 | N | 58.6 | Low | 59.6 | Low | 95 Ų | 95 | 97.3 Ų | 97.3 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 4.8 | -176.7 | -64.6 | -21.3 | 0 | 0 | 0 | 115.4 | K6 T157 I158 | K6-N8 PolarHBondContact O-N 3.4Å; N8-T157 HydrophobicContact CB-CG2 4.38Å; N8-T157 CarbonylContact O-C 3.56Å; N8-T157 WeakPolarHBondContact O-CA 3.44Å; N8-I158 PolarHBondContact O-N 2.8Å |
| 9 | L | 62.4 | Low | 61.3 | Low | 85 Ų | 85 | 93.3 Ų | 93.3 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | B | Isolated β-bridge | trans | -76.4 | 129.2 | -178.1 | -73.7 | 169.7 | 0 | 0 | 0 | 113.2 | K6 A11 P155 | K6-L9 HydrophobicContact CB-CD1 3.91Å; K6-L9 HydrophobicContact CB-CG 4.2Å; K6-L9 HydrophobicContact CD-CD1 4.21Å; K6-L9 PolarHBondContact O-N 3.22Å; L9-A11 PolarHBondContact O-N 2.71Å; L9-P155 HydrophobicContact CD2-CB 3.35Å; L9-P155 HydrophobicContact CD2-CG 4.34Å |
| 10 | V | 64 | Low | 62.7 | Low | 31 Ų | 31 | 91.1 Ų | 91.1 | 19% | 0.188 | 49% | 0.492 | C | S | . | . | trans | -73.5 | 112.5 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | V12 M156 I158 P236 | V10-V12 HydrophobicContact CG1-CG2 4.42Å; V10-M156 HydrophobicContact CB-CB 4.07Å; V10-M156 HydrophobicContact CB-CE 4.45Å; V10-M156 HydrophobicContact CG1-CE 4.39Å; V10-M156 HydrophobicContact CG2-CB 3.92Å; V10-M156 PolarHBondContact N-O 2.78Å; V10-M156 VanDerWaalsContact N-O 3.07Å; V10-I158 HydrophobicContact CG2-CD1 4.3Å; V10-I158 HydrophobicContact CG2-CG1 3.53Å; V10-P236 HydrophobicContact CG1-CG 3.56Å | ||
| 11 | A | 70.3 | Confident | 64 | Low | 60 Ų | 60 | 90.8 Ų | 90.8 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | trans | -83.7 | 141.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L9 S235 P236 | L9-A11 PolarHBondContact O-N 2.71Å; A11-S235 WeakPolarHBondContact O-CA 2.88Å; A11-S235 WeakPolarHBondContact O-CB 3.46Å; A11-P236 WeakPolarHBondContact O-CD 3.3Å | ||
| 12 | V | 74.4 | Confident | 66.8 | Low | 39 Ų | 39 | 80.6 Ų | 80.6 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | trans | -114.9 | 127.8 | -177.6 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | V10 G14 M156 P236 R241 | V10-V12 HydrophobicContact CG1-CG2 4.42Å; V12-G14 PolarHBondContact O-N 3.32Å; V12-M156 HydrophobicContact CG2-CE 4.39Å; V12-P236 CarbonylContact C-O 3.55Å; V12-P236 VanDerWaalsContact CA-O 3.26Å; V12-P236 WeakPolarHBondContact CA-O 3.35Å; V12-P236 WeakPolarHBondContact CG1-O 3.46Å; V12-R241 HydrophobicContact CG1-CB 3.97Å; V12-R241 HydrophobicContact CG2-CB 4.12Å; V12-R241 HydrophobicContact CG2-CG 4.27Å | ||
| 13 | A | 77.9 | Confident | 69.6 | Low | 20 Ų | 20 | 76 Ų | 76 | 17% | 0.165 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -76.1 | 120.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P58 P236 W238 | A13-P58 HydrophobicContact CB-CG 3.72Å; A13-P236 PolarHBondContact N-O 3.11Å; A13-W238 PolarHBondContact O-N 3.49Å |
| 14 | G | 78.1 | Confident | 72.7 | Confident | 38 Ų | 38 | 71 Ų | 71 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 152.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V12 | V12-G14 PolarHBondContact O-N 3.32Š|
| 15 | F | 83 | Confident | 75.4 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.1 | 169.7 | -81.1 | -65.6 | 0 | 0 | 0 | 111.4 | Y48 P58 L60 P229 W238 P239 | F15-Y48 HydrophobicContact CE1-CD1 4.22Å; F15-Y48 HydrophobicContact CE1-CD2 4.45Å; F15-Y48 AromaticContact CE1-CG 3.86Å; F15-Y48 HydrophobicContact CE1-CG 3.86Å; F15-Y48 AromaticContact CZ-CD1 3.82Å; F15-Y48 HydrophobicContact CZ-CD1 3.82Å; F15-Y48 HydrophobicContact CZ-CD2 4.36Å; F15-Y48 HydrophobicContact CZ-CE1 4.31Å; F15-Y48 AromaticContact CZ-CG 3.84Å; F15-Y48 HydrophobicContact CZ-CG 3.84Å; F15-P58 CarbonylContact C-O 3.51Å; F15-P58 WeakPolarHBondContact CA-O 3.34Å; F15-P58 HydrophobicContact CD1-CB 3.9Å; F15-P58 HydrophobicContact CE1-CB 4.21Å; F15-L60 HydrophobicContact CB-CB 4.39Å; F15-L60 HydrophobicContact CD1-CB 4.07Å; F15-L60 HydrophobicContact CG-CB 4.33Å; F15-P229 HydrophobicContact CE1-CB 3.97Å; F15-P229 HydrophobicContact CE1-CG 3.68Å; F15-P229 HydrophobicContact CZ-CB 4.47Å; F15-P229 HydrophobicContact CZ-CG 3.76Å; F15-W238 HydrophobicContact CD2-CB 3.61Å; F15-W238 AromaticContact CD2-CG 3.95Å; F15-W238 HydrophobicContact CD2-CG 3.95Å; F15-W238 HydrophobicContact CE2-CB 3.7Å; F15-W238 HydrophobicContact CE2-CG 4.2Å; F15-W238 HydrophobicContact CG-CB 4.49Å; F15-P239 HydrophobicContact CE2-CG 3.84Å; F15-P239 HydrophobicContact CZ-CG 3.58Å |
| 16 | R | 85 | Confident | 78.1 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124 | 166.3 | -163.3 | 178.2 | -174.9 | 175.3 | -0.5 | 108.6 | P57 P58 R59 L60 E276 | R16-P57 HydrophobicContact CB-CB 4.31Å; R16-P57 HydrophobicContact CB-CG 4.21Å; R16-P58 PolarHBondContact N-O 3.23Å; R16-R59 CarbonylContact O-C 3.59Å; R16-R59 VanDerWaalsContact O-CA 3.29Å; R16-R59 WeakPolarHBondContact O-CA 3.34Å; R16-L60 PolarHBondContact O-N 3.33Å; R16-E276 WeakPolarHBondContact CA-OE1 3.41Å; R16-E276 WeakPolarHBondContact CG-OE1 3.45Å |
| 17 | S | 88.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 12% | 0.119 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.1 | -174 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | L60 V145 E276 | S17-L60 CarbonylContact C-O 3.54Å; S17-L60 WeakPolarHBondContact CA-O 2.96Å; S17-V145 WeakPolarHBondContact OG-CB 3.47Å; S17-V145 VanDerWaalsContact OG-CG1 3.26Å; S17-V145 WeakPolarHBondContact OG-CG1 3.35Å; S17-V145 WeakPolarHBondContact OG-CG2 3.18Å; S17-E276 WeakPolarHBondContact CB-OE2 3.3Å; S17-E276 PolarHBondContact N-OE1 2.98Å; S17-E276 PolarHBondContact N-OE2 3.31Å; S17-E276 PolarHBondContact OG-OE2 3.09Å |
| 18 | Y | 89.6 | Confident | 82.7 | Confident | 117 Ų | 117 | 48.5 Ų | 48.5 | 46% | 0.459 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110.8 | 168.7 | 175.4 | -92.3 | 0 | 0 | 0 | 108.4 | D20 L60 T61 I62 | Y18-D20 HydrophobicContact CE1-CB 4.18Å; Y18-D20 PolarHBondContact OH-OD2 3.5Å; Y18-L60 PolarHBondContact N-O 3.31Å; Y18-T61 HydrophobicContact CD1-CG2 4.17Å; Y18-T61 CarbonylContact O-C 3.57Å; Y18-T61 WeakPolarHBondContact O-CA 3.37Å; Y18-I62 PolarHBondContact O-N 3.19Å |
| 19 | I | 92 | Very high | 84.1 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.3 | -179.9 | -52.1 | 179.7 | 0 | 0 | 0 | 107.9 | F23 W24 I62 L130 F143 V145 | I19-F23 HydrophobicContact CG2-CB 3.92Å; I19-F23 HydrophobicContact CG2-CD1 3.24Å; I19-F23 HydrophobicContact CG2-CE1 3.95Å; I19-F23 HydrophobicContact CG2-CG 3.78Å; I19-W24 HydrophobicContact CB-CZ2 4.39Å; I19-W24 HydrophobicContact CD1-CH2 4.5Å; I19-W24 HydrophobicContact CD1-CZ2 3.81Å; I19-W24 HydrophobicContact CG2-CD2 4.46Å; I19-W24 HydrophobicContact CG2-CZ2 3.91Å; I19-I62 CarbonylContact C-O 3.19Å; I19-I62 WeakPolarHBondContact CA-O 3.47Å; I19-I62 HydrophobicContact CD1-CD1 4.35Å; I19-I62 HydrophobicContact CG1-CB 4.23Å; I19-I62 HydrophobicContact CG1-CD1 4.08Å; I19-I62 HydrophobicContact CG2-CB 4.38Å; I19-I62 HydrophobicContact CG2-CG2 4.34Å; I19-L130 HydrophobicContact CD1-CD1 3.8Å; I19-L130 HydrophobicContact CD1-CD2 4.01Å; I19-F143 HydrophobicContact CD1-CD2 3.8Å; I19-F143 HydrophobicContact CD1-CE2 3.67Å; I19-F143 HydrophobicContact CD1-CZ 4.36Å; I19-V145 HydrophobicContact CD1-CG2 4.21Å |
| 20 | D | 89.5 | Confident | 85.4 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | trans | -67.3 | 148.5 | -178.2 | -168.7 | -95.6 | 0 | 0 | 0 | 111.8 | Y18 S22 F23 I62 D63 | Y18-D20 HydrophobicContact CE1-CB 4.18Å; Y18-D20 PolarHBondContact OH-OD2 3.5Å; D20-S22 PolarHBondContact O-N 3.09Å; D20-S22 WeakPolarHBondContact OD1-CB 3.43Å; D20-S22 PolarHBondContact OD1-N 2.96Å; D20-S22 PolarHBondContact OD1-OG 2.69Å; D20-F23 VanDerWaalsContact O-CB 3.29Å; D20-F23 WeakPolarHBondContact O-CB 3.34Å; D20-F23 PolarHBondContact O-N 2.76Å; D20-I62 PolarHBondContact N-O 3.02Å; D20-D63 HydrophobicContact CB-CB 4.19Å | ||
| 21 | N | 88.8 | Confident | 86.6 | Confident | 86 Ų | 86 | 46.4 Ų | 46.4 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.1 | -27.7 | 178.5 | -73.6 | -22.5 | 0 | 0 | 0 | 112.6 | F23 W24 Y25 | N21-F23 VanDerWaalsContact C-N 3.28Å; N21-F23 PolarHBondContact O-N 3.42Å; N21-W24 PolarHBondContact O-N 3.42Å; N21-Y25 PolarHBondContact O-N 2.89Å; N21-Y25 VanDerWaalsContact O-N 3.08Å |
| 22 | S | 90.3 | Very high | 87.2 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -35.8 | 173.8 | 65 | 0 | 0 | 0 | 0 | 112.3 | D20 Y25 T26 F64 | D20-S22 PolarHBondContact O-N 3.09Å; D20-S22 WeakPolarHBondContact OD1-CB 3.43Å; D20-S22 PolarHBondContact OD1-N 2.96Å; D20-S22 PolarHBondContact OD1-OG 2.69Å; S22-Y25 PolarHBondContact O-N 3.2Å; S22-T26 PolarHBondContact O-N 3.37Å; S22-T26 PolarHBondContact O-OG1 3.03Å; S22-T26 VanDerWaalsContact O-OG1 3.13Å; S22-F64 PolarHBondContact OG-N 2.71Å |
| 23 | F | 93.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -50.4 | 173.4 | 171.1 | -97.2 | 0 | 0 | 0 | 110.9 | I19 D20 N21 Y25 T26 A27 L44 I62 D63 L67 L84 L130 | I19-F23 HydrophobicContact CG2-CB 3.92Å; I19-F23 HydrophobicContact CG2-CD1 3.24Å; I19-F23 HydrophobicContact CG2-CE1 3.95Å; I19-F23 HydrophobicContact CG2-CG 3.78Å; D20-F23 VanDerWaalsContact O-CB 3.29Å; D20-F23 WeakPolarHBondContact O-CB 3.34Å; D20-F23 PolarHBondContact O-N 2.76Å; N21-F23 VanDerWaalsContact C-N 3.28Å; N21-F23 PolarHBondContact O-N 3.42Å; F23-Y25 VanDerWaalsContact C-N 3.33Å; F23-Y25 PolarHBondContact O-N 3.09Å; F23-T26 PolarHBondContact O-N 3.5Å; F23-A27 HydrophobicContact CE1-CB 4.37Å; F23-A27 HydrophobicContact CZ-CB 4.38Å; F23-A27 WeakPolarHBondContact O-CB 3.32Å; F23-A27 PolarHBondContact O-N 3.25Å; F23-L44 HydrophobicContact CE2-CD1 3.61Å; F23-L44 HydrophobicContact CZ-CD1 4.26Å; F23-I62 HydrophobicContact CD1-CG2 4.48Å; F23-I62 HydrophobicContact CD2-CG2 3.64Å; F23-I62 HydrophobicContact CE2-CG2 3.84Å; F23-I62 HydrophobicContact CG-CG2 3.97Å; F23-I62 HydrophobicContact CZ-CG2 4.34Å; F23-D63 WeakPolarHBondContact CD2-O 3.2Å; F23-L67 HydrophobicContact CD2-CD1 4.25Å; F23-L67 HydrophobicContact CD2-CG 4.11Å; F23-L67 HydrophobicContact CE2-CD1 4.1Å; F23-L67 HydrophobicContact CE2-CD2 3.76Å; F23-L67 HydrophobicContact CE2-CG 3.77Å; F23-L67 HydrophobicContact CZ-CD2 4.5Å; F23-L84 HydrophobicContact CZ-CD1 4.46Å; F23-L84 HydrophobicContact CZ-CD2 4.1Å; F23-L130 HydrophobicContact CE1-CD2 3.73Å; F23-L130 HydrophobicContact CZ-CD2 3.63Å |
| 24 | W | 92.7 | Very high | 88 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | -177.5 | -67 | 113.4 | 0 | 0 | 0 | 112.7 | I19 N21 T28 A132 I134 Y141 F143 L288 L290 | I19-W24 HydrophobicContact CB-CZ2 4.39Å; I19-W24 HydrophobicContact CD1-CH2 4.5Å; I19-W24 HydrophobicContact CD1-CZ2 3.81Å; I19-W24 HydrophobicContact CG2-CD2 4.46Å; I19-W24 HydrophobicContact CG2-CZ2 3.91Å; N21-W24 PolarHBondContact O-N 3.42Å; W24-T28 WeakPolarHBondContact O-CB 3.45Å; W24-T28 PolarHBondContact O-N 3.4Å; W24-T28 PolarHBondContact O-OG1 3.44Å; W24-A132 HydrophobicContact CH2-CB 3.99Å; W24-A132 HydrophobicContact CZ3-CB 3.98Å; W24-I134 HydrophobicContact CZ3-CG1 4.49Å; W24-Y141 HydrophobicContact CB-CD1 4.18Å; W24-Y141 HydrophobicContact CB-CD2 4.35Å; W24-Y141 HydrophobicContact CB-CE1 3.89Å; W24-Y141 HydrophobicContact CB-CE2 4.11Å; W24-Y141 HydrophobicContact CB-CG 4.39Å; W24-Y141 AromaticContact CD2-CD1 3.85Å; W24-Y141 HydrophobicContact CD2-CD1 3.85Å; W24-Y141 HydrophobicContact CD2-CD2 4.46Å; W24-Y141 HydrophobicContact CD2-CE1 4.43Å; W24-Y141 AromaticContact CD2-CG 3.86Å; W24-Y141 HydrophobicContact CD2-CG 3.86Å; W24-Y141 AromaticContact CE3-CD1 3.29Å; W24-Y141 HydrophobicContact CE3-CD1 3.29Å; W24-Y141 AromaticContact CE3-CE1 3.98Å; W24-Y141 HydrophobicContact CE3-CE1 3.98Å; W24-Y141 AromaticContact CE3-CG 3.69Å; W24-Y141 HydrophobicContact CE3-CG 3.69Å; W24-Y141 HydrophobicContact CG-CD1 4.25Å; W24-Y141 HydrophobicContact CG-CD2 4.35Å; W24-Y141 HydrophobicContact CG-CE1 4.45Å; W24-Y141 HydrophobicContact CG-CG 4.19Å; W24-Y141 AromaticContact CZ3-CD1 3.98Å; W24-Y141 HydrophobicContact CZ3-CD1 3.98Å; W24-Y141 HydrophobicContact CZ3-CG 4.3Å; W24-F143 HydrophobicContact CH2-CB 3.69Å; W24-F143 AromaticContact CH2-CD1 3.65Å; W24-F143 HydrophobicContact CH2-CD1 3.65Å; W24-F143 HydrophobicContact CH2-CD2 4.41Å; W24-F143 HydrophobicContact CH2-CE1 4.39Å; W24-F143 AromaticContact CH2-CG 3.66Å; W24-F143 HydrophobicContact CH2-CG 3.66Å; W24-F143 HydrophobicContact CZ2-CB 4.18Å; W24-F143 AromaticContact CZ2-CD1 3.35Å; W24-F143 HydrophobicContact CZ2-CD1 3.35Å; W24-F143 HydrophobicContact CZ2-CD2 4.1Å; W24-F143 AromaticContact CZ2-CE1 3.64Å; W24-F143 HydrophobicContact CZ2-CE1 3.64Å; W24-F143 HydrophobicContact CZ2-CE2 4.34Å; W24-F143 AromaticContact CZ2-CG 3.61Å; W24-F143 HydrophobicContact CZ2-CG 3.61Å; W24-F143 HydrophobicContact CZ2-CZ 4.12Å; W24-L288 HydrophobicContact CD2-CD2 4.49Å; W24-L288 HydrophobicContact CG-CD2 3.88Å; W24-L290 HydrophobicContact CB-CD1 4.18Å |
| 25 | Y | 87.4 | Confident | 88.5 | Confident | 144 Ų | 144 | 52.8 Ų | 52.8 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.6 | -51.5 | 174.5 | -179.4 | -98.1 | 0 | 0 | 0 | 111.5 | N21 S22 F23 T28 K29 | N21-Y25 PolarHBondContact O-N 2.89Å; N21-Y25 VanDerWaalsContact O-N 3.08Å; S22-Y25 PolarHBondContact O-N 3.2Å; F23-Y25 VanDerWaalsContact C-N 3.33Å; F23-Y25 PolarHBondContact O-N 3.09Å; Y25-T28 WeakPolarHBondContact O-CB 3.32Å; Y25-T28 PolarHBondContact O-N 2.79Å; Y25-K29 PolarHBondContact O-N 3.2Å |
| 26 | T | 90 | Very high | 88.7 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 179.3 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | S22 F23 T28 K29 R30 L67 | S22-T26 PolarHBondContact O-N 3.37Å; S22-T26 PolarHBondContact O-OG1 3.03Å; S22-T26 VanDerWaalsContact O-OG1 3.13Å; F23-T26 PolarHBondContact O-N 3.5Å; T26-T28 VanDerWaalsContact C-N 3.33Å; T26-T28 PolarHBondContact O-N 3.16Å; T26-K29 PolarHBondContact O-N 3.18Å; T26-R30 HydrophobicContact CG2-CG 4.46Å; T26-R30 WeakPolarHBondContact O-CB 3.3Å; T26-R30 WeakPolarHBondContact O-CG 3.42Å; T26-R30 PolarHBondContact O-N 3.08Å; T26-L67 HydrophobicContact CG2-CD1 3.97Å |
| 27 | A | 91.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | F23 K31 W35 L67 I134 | F23-A27 HydrophobicContact CE1-CB 4.37Å; F23-A27 HydrophobicContact CZ-CB 4.38Å; F23-A27 WeakPolarHBondContact O-CB 3.32Å; F23-A27 PolarHBondContact O-N 3.25Å; A27-K31 WeakPolarHBondContact O-CB 3.11Å; A27-K31 PolarHBondContact O-N 3.11Å; A27-W35 HydrophobicContact CB-CH2 4.37Å; A27-W35 HydrophobicContact CB-CZ3 4.16Å; A27-W35 WeakPolarHBondContact O-CZ3 3.28Å; A27-L67 HydrophobicContact CB-CD1 4.28Å; A27-I134 HydrophobicContact CB-CD1 3.93Å |
| 28 | T | 89.4 | Confident | 88.6 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 174.4 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | W24 Y25 T26 K31 V32 I134 P136 Y139 Y141 | W24-T28 WeakPolarHBondContact O-CB 3.45Å; W24-T28 PolarHBondContact O-N 3.4Å; W24-T28 PolarHBondContact O-OG1 3.44Å; Y25-T28 WeakPolarHBondContact O-CB 3.32Å; Y25-T28 PolarHBondContact O-N 2.79Å; T26-T28 VanDerWaalsContact C-N 3.33Å; T26-T28 PolarHBondContact O-N 3.16Å; T28-K31 PolarHBondContact O-N 2.97Å; T28-V32 WeakPolarHBondContact O-CG2 3.42Å; T28-V32 PolarHBondContact O-N 2.67Å; T28-I134 HydrophobicContact CG2-CG2 4.37Å; T28-P136 HydrophobicContact CG2-CB 4.03Å; T28-Y139 HydrophobicContact CG2-CE1 4.32Å; T28-Y141 WeakPolarHBondContact OG1-CE1 3.38Å; T28-Y141 PolarHBondContact OG1-OH 3.39Å |
| 29 | K | 87.5 | Confident | 88.6 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.3 | -51.6 | 178.4 | -175.7 | -178 | 174.7 | -174 | 0 | 110.7 | Y25 T26 K31 V32 E33 | Y25-K29 PolarHBondContact O-N 3.2Å; T26-K29 PolarHBondContact O-N 3.18Å; K29-K31 PolarHBondContact O-N 3.44Å; K29-V32 PolarHBondContact O-N 2.59Å; K29-E33 WeakPolarHBondContact CE-OE2 3.39Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 WeakPolarHBondContact CG-OE2 3.35Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 PolarHBondContact O-N 3.34Å |
| 30 | R | 90.5 | Very high | 88.6 | Confident | 48 Ų | 48 | 58 Ų | 58 | 18% | 0.181 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 176.1 | -69 | -163.3 | 163.8 | 155.5 | 9.4 | 112.4 | T26 V32 E33 E34 W35 L67 E68 | T26-R30 HydrophobicContact CG2-CG 4.46Å; T26-R30 WeakPolarHBondContact O-CB 3.3Å; T26-R30 WeakPolarHBondContact O-CG 3.42Å; T26-R30 PolarHBondContact O-N 3.08Å; R30-V32 VanDerWaalsContact C-N 3.28Å; R30-V32 PolarHBondContact O-N 3.4Å; R30-E33 PolarHBondContact O-N 3.39Å; R30-E34 WeakPolarHBondContact CD-OE2 3.37Å; R30-E34 IonicContact NE-OE1 2.84Å; R30-E34 IonicContact NE-OE2 2.62Å; R30-E34 PolarHBondContact NE-OE2 3.22Å; R30-E34 CarbonylContact O-C 3.57Å; R30-E34 WeakPolarHBondContact O-CA 3.45Å; R30-E34 WeakPolarHBondContact O-CB 3.44Å; R30-E34 PolarHBondContact O-N 3.15Å; R30-W35 HydrophobicContact CB-CD2 3.8Å; R30-W35 HydrophobicContact CB-CE3 3.94Å; R30-W35 HydrophobicContact CB-CH2 3.73Å; R30-W35 HydrophobicContact CB-CZ2 3.55Å; R30-W35 HydrophobicContact CB-CZ3 3.89Å; R30-W35 HydrophobicContact CG-CH2 4.49Å; R30-W35 HydrophobicContact CG-CZ2 4.15Å; R30-W35 PolarHBondContact O-N 3.19Å; R30-L67 PolarHBondContact NH1-O 3.02Å; R30-E68 IonicContact CZ-OE1 2.79Å; R30-E68 IonicContact NH1-OE1 2.73Å; R30-E68 PolarHBondContact NH1-OE1 3.17Å; R30-E68 IonicContact NH2-OE1 2.94Å; R30-E68 PolarHBondContact NH2-OE1 3.21Å |
| 31 | K | 87.8 | Confident | 88.6 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -62 | -35.9 | 175.4 | -173.8 | 56.8 | 170.4 | 167.9 | 0 | 112.5 | A27 T28 K29 W35 K36 D38 L86 N88 | A27-K31 WeakPolarHBondContact O-CB 3.11Å; A27-K31 PolarHBondContact O-N 3.11Å; T28-K31 PolarHBondContact O-N 2.97Å; K29-K31 PolarHBondContact O-N 3.44Å; K31-W35 HydrophobicContact CB-CE3 3.94Å; K31-W35 HydrophobicContact CB-CZ3 4.49Å; K31-W35 HydrophobicContact CD-CB 4.23Å; K31-W35 HydrophobicContact CD-CE3 4.35Å; K31-K36 WeakPolarHBondContact CD-O 3.44Å; K31-K36 WeakPolarHBondContact CE-O 3.31Å; K31-K36 PolarHBondContact NZ-O 3.47Å; K31-K36 VanDerWaalsContact O-CA 3.26Å; K31-K36 WeakPolarHBondContact O-CA 3.37Å; K31-K36 PolarHBondContact O-N 3.08Å; K31-D38 PolarHBondContact NZ-O 3.15Å; K31-L86 HydrophobicContact CD-CD1 4.29Å; K31-N88 WeakPolarHBondContact CE-OD1 3.34Å; K31-N88 PolarHBondContact NZ-OD1 2.83Å |
| 32 | V | 83.4 | Confident | 88.8 | Confident | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -79.6 | -44.6 | 177.5 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | T28 K29 R30 P136 L306 W313 | T28-V32 WeakPolarHBondContact O-CG2 3.42Å; T28-V32 PolarHBondContact O-N 2.67Å; K29-V32 PolarHBondContact O-N 2.59Å; R30-V32 VanDerWaalsContact C-N 3.28Å; R30-V32 PolarHBondContact O-N 3.4Å; V32-P136 HydrophobicContact CG2-CB 3.95Å; V32-L306 HydrophobicContact CG2-CD1 4.31Å; V32-W313 HydrophobicContact CB-CH2 4.2Å; V32-W313 HydrophobicContact CG1-CH2 3.86Å; V32-W313 HydrophobicContact CG1-CZ2 4.32Å; V32-W313 WeakPolarHBondContact O-CH2 3.46Å; V32-W313 WeakPolarHBondContact O-CZ2 3.28Å |
| 33 | E | 83.1 | Confident | 88.9 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -91.7 | -41 | -169.7 | -65.5 | 175.8 | 178.7 | 0 | 0 | 112.9 | K29 R30 | K29-E33 WeakPolarHBondContact CE-OE2 3.39Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 WeakPolarHBondContact CG-OE2 3.35Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 PolarHBondContact O-N 3.34Å; R30-E33 PolarHBondContact O-N 3.39Å |
| 34 | E | 87.1 | Confident | 88.7 | Confident | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -106.4 | -61.4 | -168.6 | -61.3 | 171.9 | -157.4 | 0 | 0 | 111.9 | R30 | R30-E34 WeakPolarHBondContact CD-OE2 3.37Å; R30-E34 IonicContact NE-OE1 2.84Å; R30-E34 IonicContact NE-OE2 2.62Å; R30-E34 PolarHBondContact NE-OE2 3.22Å; R30-E34 CarbonylContact O-C 3.57Å; R30-E34 WeakPolarHBondContact O-CA 3.45Å; R30-E34 WeakPolarHBondContact O-CB 3.44Å; R30-E34 PolarHBondContact O-N 3.15Å |
| 35 | W | 88.7 | Confident | 88.6 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -78.5 | -26.1 | -171.1 | -47.5 | -34.1 | 0 | 0 | 0 | 113.3 | A27 R30 K31 L37 D38 L42 L67 L84 L86 | A27-W35 HydrophobicContact CB-CH2 4.37Å; A27-W35 HydrophobicContact CB-CZ3 4.16Å; A27-W35 WeakPolarHBondContact O-CZ3 3.28Å; R30-W35 HydrophobicContact CB-CD2 3.8Å; R30-W35 HydrophobicContact CB-CE3 3.94Å; R30-W35 HydrophobicContact CB-CH2 3.73Å; R30-W35 HydrophobicContact CB-CZ2 3.55Å; R30-W35 HydrophobicContact CB-CZ3 3.89Å; R30-W35 HydrophobicContact CG-CH2 4.49Å; R30-W35 HydrophobicContact CG-CZ2 4.15Å; R30-W35 PolarHBondContact O-N 3.19Å; K31-W35 HydrophobicContact CB-CE3 3.94Å; K31-W35 HydrophobicContact CB-CZ3 4.49Å; K31-W35 HydrophobicContact CD-CB 4.23Å; K31-W35 HydrophobicContact CD-CE3 4.35Å; W35-L37 PolarHBondContact O-N 3.28Å; W35-L37 VanDerWaalsContact O-N 3.13Å; W35-D38 WeakPolarHBondContact O-CB 3.37Å; W35-D38 PolarHBondContact O-N 3.1Å; W35-L42 HydrophobicContact CD2-CD1 3.48Å; W35-L42 VanDerWaalsContact CD2-CD1 3.48Å; W35-L42 HydrophobicContact CE3-CD1 3.84Å; W35-L42 HydrophobicContact CG-CD1 4.02Å; W35-L42 HydrophobicContact CH2-CD1 3.88Å; W35-L42 HydrophobicContact CZ2-CD1 3.54Å; W35-L42 HydrophobicContact CZ3-CD1 4.04Å; W35-L67 HydrophobicContact CH2-CD1 3.9Å; W35-L67 HydrophobicContact CH2-CD2 3.74Å; W35-L67 HydrophobicContact CH2-CG 4.46Å; W35-L67 HydrophobicContact CZ2-CD1 4.42Å; W35-L67 HydrophobicContact CZ2-CD2 4.11Å; W35-L84 HydrophobicContact CH2-CD2 4.26Å; W35-L84 HydrophobicContact CZ3-CD2 4.41Å; W35-L86 HydrophobicContact CD2-CD1 4.37Å; W35-L86 HydrophobicContact CE3-CD1 3.32Å; W35-L86 HydrophobicContact CH2-CD1 4.38Å; W35-L86 HydrophobicContact CZ3-CD1 3.34Å |
| 36 | K | 86.5 | Confident | 88.7 | Confident | 96 Ų | 96 | 52.7 Ų | 52.7 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | -117 | 176.7 | -56.7 | 169.5 | -173.2 | 167.9 | 0 | 111.9 | K31 W313 | K31-K36 WeakPolarHBondContact CD-O 3.44Å; K31-K36 WeakPolarHBondContact CE-O 3.31Å; K31-K36 PolarHBondContact NZ-O 3.47Å; K31-K36 VanDerWaalsContact O-CA 3.26Å; K31-K36 WeakPolarHBondContact O-CA 3.37Å; K31-K36 PolarHBondContact O-N 3.08Å; K36-W313 HydrophobicContact CB-CD2 4.12Å; K36-W313 HydrophobicContact CB-CE3 4.36Å; K36-W313 HydrophobicContact CB-CG 4.32Å; K36-W313 HydrophobicContact CD-CG 4.42Å; K36-W313 HydrophobicContact CG-CD2 4.15Å; K36-W313 HydrophobicContact CG-CG 4.37Å; K36-W313 HydrophobicContact CG-CZ2 4.44Å |
| 37 | L | 85.2 | Confident | 88.6 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.5 | 178.7 | -60 | 174.3 | 0 | 0 | 0 | 113.5 | W35 E39 N88 W313 R314 | W35-L37 PolarHBondContact O-N 3.28Å; W35-L37 VanDerWaalsContact O-N 3.13Å; L37-E39 PolarHBondContact O-N 3.01Å; L37-N88 PolarHBondContact O-ND2 3.36Å; L37-W313 HydrophobicContact CD1-CB 4.09Å; L37-W313 HydrophobicContact CG-CB 4.26Å; L37-R314 HydrophobicContact CD1-CB 4.49Å; L37-R314 HydrophobicContact CD1-CG 3.62Å; L37-R314 HydrophobicContact CD2-CG 4.35Å |
| 38 | D | 86.3 | Confident | 88.4 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | trans | -65.6 | 130.1 | 177.8 | -164.1 | -4.3 | 0 | 0 | 0 | 110.6 | K31 W35 T40 | K31-D38 PolarHBondContact NZ-O 3.15Å; W35-D38 WeakPolarHBondContact O-CB 3.37Å; W35-D38 PolarHBondContact O-N 3.1Å; D38-T40 WeakPolarHBondContact OD1-CB 3.43Å; D38-T40 PolarHBondContact OD1-N 3.43Å; D38-T40 PolarHBondContact OD1-OG1 2.94Å | ||
| 39 | E | 88.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | trans | -114.2 | 7.6 | 176.5 | -57.5 | -168.6 | 156 | 0 | 0 | 111.5 | L37 L86 N88 | L37-E39 PolarHBondContact O-N 3.01Å; E39-L86 WeakPolarHBondContact CB-O 3.44Å; E39-L86 WeakPolarHBondContact CG-O 3.32Å; E39-N88 VanDerWaalsContact CD-ND2 3.32Å; E39-N88 WeakPolarHBondContact CG-ND2 3.48Å; E39-N88 WeakPolarHBondContact OE1-CB 3.44Å; E39-N88 PolarHBondContact OE1-N 2.8Å; E39-N88 PolarHBondContact OE1-ND2 3.39Å | ||
| 40 | T | 91.7 | Very high | 87.9 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 53% | 0.534 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -58.9 | 134.2 | 176.1 | -53.3 | 0 | 0 | 0 | 0 | 109.5 | D38 L42 | D38-T40 WeakPolarHBondContact OD1-CB 3.43Å; D38-T40 PolarHBondContact OD1-N 3.43Å; D38-T40 PolarHBondContact OD1-OG1 2.94Å; T40-L42 PolarHBondContact O-N 3.38Å |
| 41 | P | 90.9 | Very high | 87.4 | Confident | 59 Ų | 59 | 52 Ų | 52 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 125.1 | -178 | -22.5 | 33.4 | 0 | 0 | 0 | 111.4 | L84 F85 | P41-L84 WeakPolarHBondContact CA-O 3.26Å; P41-F85 HydrophobicContact CB-CD1 4.04Å; P41-F85 HydrophobicContact CB-CE1 3.77Å; P41-F85 HydrophobicContact CB-CE2 4.47Å; P41-F85 HydrophobicContact CB-CZ 4Å; P41-F85 HydrophobicContact CG-CD1 3.69Å; P41-F85 HydrophobicContact CG-CE1 3.33Å; P41-F85 HydrophobicContact CG-CZ 3.99Å |
| 42 | L | 92.4 | Very high | 87.1 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 141.6 | -179.3 | -62.2 | 169 | 0 | 0 | 0 | 110.3 | W35 T40 K83 L84 L86 | W35-L42 HydrophobicContact CD2-CD1 3.48Å; W35-L42 VanDerWaalsContact CD2-CD1 3.48Å; W35-L42 HydrophobicContact CE3-CD1 3.84Å; W35-L42 HydrophobicContact CG-CD1 4.02Å; W35-L42 HydrophobicContact CH2-CD1 3.88Å; W35-L42 HydrophobicContact CZ2-CD1 3.54Å; W35-L42 HydrophobicContact CZ3-CD1 4.04Å; T40-L42 PolarHBondContact O-N 3.38Å; L42-K83 CarbonylContact O-C 3.54Å; L42-K83 WeakPolarHBondContact O-CA 3.28Å; L42-L84 HydrophobicContact CB-CB 4.32Å; L42-L84 HydrophobicContact CD1-CD2 4.42Å; L42-L84 PolarHBondContact N-O 2.9Å; L42-L84 PolarHBondContact O-N 2.73Å; L42-L86 HydrophobicContact CD1-CD1 4.22Å |
| 43 | P | 91.6 | Very high | 87 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 141.2 | 171.6 | 28.5 | -33.6 | 0 | 0 | 0 | 110 | ||
| 44 | L | 91.2 | Very high | 86.8 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.6 | 179.6 | -173.8 | 71.1 | 0 | 0 | 0 | 108.6 | F23 I62 S66 L67 G82 L84 F128 L130 | F23-L44 HydrophobicContact CE2-CD1 3.61Å; F23-L44 HydrophobicContact CZ-CD1 4.26Å; L44-I62 HydrophobicContact CD1-CG2 4.26Å; L44-I62 HydrophobicContact CD2-CD1 4.19Å; L44-I62 HydrophobicContact CD2-CG2 4.31Å; L44-S66 WeakPolarHBondContact CD1-O 3.45Å; L44-L67 HydrophobicContact CD1-CD2 3.82Å; L44-L67 HydrophobicContact CD1-CG 4.36Å; L44-G82 PolarHBondContact N-O 2.81Å; L44-G82 CarbonylContact O-C 3.54Å; L44-G82 WeakPolarHBondContact O-CA 3.45Å; L44-G82 PolarHBondContact O-N 2.63Å; L44-G82 VanDerWaalsContact O-O 3.1Å; L44-L84 HydrophobicContact CB-CB 4.28Å; L44-L84 HydrophobicContact CD2-CB 4.27Å; L44-F128 HydrophobicContact CB-CZ 4.44Å; L44-F128 HydrophobicContact CD2-CE2 3.58Å; L44-F128 HydrophobicContact CD2-CZ 3.76Å; L44-F128 HydrophobicContact CG-CE2 4.31Å; L44-F128 HydrophobicContact CG-CZ 3.98Å; L44-L130 HydrophobicContact CD2-CB 3.98Å; L44-L130 HydrophobicContact CD2-CD2 3.89Å |
| 45 | L | 89.5 | Confident | 86.4 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.1 | 178.4 | -166.7 | 58.9 | 0 | 0 | 0 | 110 | Y47 S66 R71 A79 | L45-Y47 HydrophobicContact CD2-CE1 3.93Å; L45-Y47 WeakPolarHBondContact CD2-OH 3.06Å; L45-Y47 HydrophobicContact CG-CE1 3.87Å; L45-Y47 HydrophobicContact CG-CE2 4.31Å; L45-Y47 VanDerWaalsContact CG-OH 3.3Å; L45-Y47 WeakPolarHBondContact CG-OH 3.31Å; L45-S66 PolarHBondContact N-O 3.44Å; L45-S66 WeakPolarHBondContact O-CA 3.35Å; L45-S66 WeakPolarHBondContact O-CB 3.23Å; L45-S66 PolarHBondContact O-OG 2.93Å; L45-R71 HydrophobicContact CD2-CB 4.32Å; L45-R71 WeakPolarHBondContact CD2-O 3.35Å; L45-A79 HydrophobicContact CD1-CB 4.12Å |
| 46 | G | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 162.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T61 A80 | G46-T61 WeakPolarHBondContact CA-O 3.45Å; G46-A80 PolarHBondContact N-O 3.03Å; G46-A80 PolarHBondContact O-N 2.92Å |
| 47 | Y | 88.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143.5 | -179.5 | -47.7 | -88.1 | 0 | 0 | 0 | 110.7 | L45 T61 R71 P73 Y78 | L45-Y47 HydrophobicContact CD2-CE1 3.93Å; L45-Y47 WeakPolarHBondContact CD2-OH 3.06Å; L45-Y47 HydrophobicContact CG-CE1 3.87Å; L45-Y47 HydrophobicContact CG-CE2 4.31Å; L45-Y47 VanDerWaalsContact CG-OH 3.3Å; L45-Y47 WeakPolarHBondContact CG-OH 3.31Å; Y47-T61 PolarHBondContact N-O 3.27Å; Y47-T61 PolarHBondContact O-N 3.33Å; Y47-R71 VanDerWaalsContact OH-CB 3.3Å; Y47-R71 WeakPolarHBondContact OH-CB 3.49Å; Y47-R71 WeakPolarHBondContact OH-CD 3.24Å; Y47-R71 WeakPolarHBondContact OH-CG 3.37Å; Y47-P73 HydrophobicContact CD1-CB 3.51Å; Y47-P73 HydrophobicContact CD1-CG 3.63Å; Y47-P73 HydrophobicContact CE1-CB 3.71Å; Y47-P73 HydrophobicContact CE1-CG 3.55Å; Y47-Y78 VanDerWaalsContact CA-O 3.31Å; Y47-Y78 WeakPolarHBondContact CA-O 3.49Å |
| 48 | Y | 88 | Confident | 85.7 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 162.2 | 171.6 | 63.5 | -90.5 | 0 | 0 | 0 | 110.2 | F15 R59 Q77 Y78 A80 N190 P229 P239 | F15-Y48 HydrophobicContact CE1-CD1 4.22Å; F15-Y48 HydrophobicContact CE1-CD2 4.45Å; F15-Y48 AromaticContact CE1-CG 3.86Å; F15-Y48 HydrophobicContact CE1-CG 3.86Å; F15-Y48 AromaticContact CZ-CD1 3.82Å; F15-Y48 HydrophobicContact CZ-CD1 3.82Å; F15-Y48 HydrophobicContact CZ-CD2 4.36Å; F15-Y48 HydrophobicContact CZ-CE1 4.31Å; F15-Y48 AromaticContact CZ-CG 3.84Å; F15-Y48 HydrophobicContact CZ-CG 3.84Å; Y48-R59 WeakPolarHBondContact CA-O 3.38Å; Y48-R59 VanDerWaalsContact CB-O 3.31Å; Y48-R59 WeakPolarHBondContact CB-O 3.27Å; Y48-Q77 CarbonylContact O-C 3.53Å; Y48-Q77 WeakPolarHBondContact O-CA 3.39Å; Y48-Y78 WeakPolarHBondContact CD1-O 3.12Å; Y48-Y78 HydrophobicContact CD2-CD2 4.13Å; Y48-Y78 AromaticContact CE2-CD2 3.91Å; Y48-Y78 HydrophobicContact CE2-CD2 3.91Å; Y48-Y78 HydrophobicContact CE2-CG 4.06Å; Y48-Y78 VanDerWaalsContact CZ-CB 3.49Å; Y48-Y78 PolarHBondContact N-O 3.03Å; Y48-Y78 PolarHBondContact O-N 3.31Å; Y48-A80 HydrophobicContact CD1-CB 4.22Å; Y48-A80 HydrophobicContact CE1-CB 4.38Å; Y48-N190 PolarHBondContact OH-ND2 2.92Å; Y48-P229 HydrophobicContact CD2-CB 3.74Å; Y48-P229 HydrophobicContact CD2-CG 4.06Å; Y48-P229 HydrophobicContact CE2-CB 4.42Å; Y48-P229 HydrophobicContact CE2-CG 4.36Å; Y48-P229 HydrophobicContact CG-CB 4.4Å; Y48-P239 HydrophobicContact CE1-CG 4.46Å; Y48-P239 HydrophobicContact CE2-CG 4.17Å |
| 49 | T | 85.5 | Confident | 85.8 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 14% | 0.135 | 31% | 0.31 | C | S | . | . | trans | -129.4 | 152.6 | 175.6 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | S51 N76 P229 | T49-S51 WeakPolarHBondContact OG1-CB 3.41Å; T49-S51 PolarHBondContact OG1-N 3.22Å; T49-S51 VanDerWaalsContact OG1-N 3.11Å; T49-N76 WeakPolarHBondContact CB-O 3.48Å; T49-N76 PolarHBondContact OG1-O 3.39Å; T49-P229 WeakPolarHBondContact O-CA 3.41Å | ||
| 50 | N | 80.6 | Confident | 85.8 | Confident | 69 Ų | 69 | 45.9 Ų | 45.9 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -96 | 6.1 | 168.3 | 63.3 | -8 | 0 | 0 | 0 | 112 | Y78 D228 | N50-Y78 HydrophobicContact CB-CE2 4.5Å; N50-D228 WeakPolarHBondContact CB-O 3.03Å |
| 51 | S | 80.4 | Confident | 85.8 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | trans | -101.6 | 11.7 | -176 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | T49 | T49-S51 WeakPolarHBondContact OG1-CB 3.41Å; T49-S51 PolarHBondContact OG1-N 3.22Å; T49-S51 VanDerWaalsContact OG1-N 3.11Å | ||
| 52 | D | 81.1 | Confident | 85.8 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -67.6 | 147 | 174.6 | -88.9 | -38.9 | 0 | 0 | 0 | 110.7 | L56 R59 T231 | D52-L56 HydrophobicContact CB-CB 4.33Å; D52-L56 HydrophobicContact CB-CD1 4.31Å; D52-R59 IonicContact OD1-CZ 3.63Å; D52-R59 IonicContact OD1-NH1 2.9Å; D52-R59 PolarHBondContact OD1-NH1 3.19Å; D52-R59 IonicContact OD1-NH2 3.6Å; D52-R59 PolarHBondContact OD1-NH2 3.43Å; D52-R59 IonicContact OD2-CZ 2.58Å; D52-R59 IonicContact OD2-NH1 2.8Å; D52-R59 IonicContact OD2-NH2 3.09Å; D52-R59 PolarHBondContact OD2-NH2 2.94Å; D52-T231 HydrophobicContact CB-CG2 3.88Å; D52-T231 WeakPolarHBondContact O-CG2 3.07Å |
| 53 | A | 81.7 | Confident | 85.8 | Confident | 58 Ų | 58 | 40 Ų | 40 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -62 | 143.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G55 L56 | A53-G55 PolarHBondContact O-N 2.93Å; A53-L56 HydrophobicContact CB-CD1 4.09Å; A53-L56 WeakPolarHBondContact O-CB 3.4Å; A53-L56 PolarHBondContact O-N 3.19Å; A53-L56 VanDerWaalsContact O-N 3.12Å |
| 54 | P | 79.7 | Confident | 85.6 | Confident | 125 Ų | 125 | 40.6 Ų | 40.6 | 81% | 0.812 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | 127.6 | 176.7 | -28.7 | 34.8 | 0 | 0 | 0 | 112.9 | ||
| 55 | G | 77.4 | Confident | 85.5 | Confident | 71 Ų | 71 | 43.9 Ų | 43.9 | 73% | 0.732 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97 | -8.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A53 T231 | A53-G55 PolarHBondContact O-N 2.93Å; G55-T231 PolarHBondContact N-OG1 3.32Å; G55-T231 VanDerWaalsContact N-OG1 3.08Å |
| 56 | L | 82.1 | Confident | 85.5 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 137.5 | 169.5 | -66.4 | 177 | 0 | 0 | 0 | 110.6 | D52 A53 T231 | D52-L56 HydrophobicContact CB-CB 4.33Å; D52-L56 HydrophobicContact CB-CD1 4.31Å; A53-L56 HydrophobicContact CB-CD1 4.09Å; A53-L56 WeakPolarHBondContact O-CB 3.4Å; A53-L56 PolarHBondContact O-N 3.19Å; A53-L56 VanDerWaalsContact O-N 3.12Å; L56-T231 PolarHBondContact N-OG1 3.38Å; L56-T231 WeakPolarHBondContact O-CG2 3.26Å; L56-T231 PolarHBondContact O-OG1 2.9Å |
| 57 | P | 79.6 | Confident | 85.6 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -66 | 151 | 174.9 | 29.3 | -34.4 | 0 | 0 | 0 | 110.4 | R16 R59 | R16-P57 HydrophobicContact CB-CB 4.31Å; R16-P57 HydrophobicContact CB-CG 4.21Å; P57-R59 PolarHBondContact O-N 3.34Å |
| 58 | P | 84.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 116.3 | 172 | -24.2 | 29.6 | 0 | 0 | 0 | 111 | A13 F15 R16 P229 | A13-P58 HydrophobicContact CB-CG 3.72Å; F15-P58 CarbonylContact C-O 3.51Å; F15-P58 WeakPolarHBondContact CA-O 3.34Å; F15-P58 HydrophobicContact CD1-CB 3.9Å; F15-P58 HydrophobicContact CE1-CB 4.21Å; R16-P58 PolarHBondContact N-O 3.23Å; P58-P229 HydrophobicContact CB-CB 3.93Å; P58-P229 HydrophobicContact CB-CG 4.01Å |
| 59 | R | 87.6 | Confident | 84.7 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129 | -176.1 | -171.8 | 171.9 | 61.9 | -114.1 | -11 | 111.8 | R16 Y48 D52 P57 | R16-R59 CarbonylContact O-C 3.59Å; R16-R59 VanDerWaalsContact O-CA 3.29Å; R16-R59 WeakPolarHBondContact O-CA 3.34Å; Y48-R59 WeakPolarHBondContact CA-O 3.38Å; Y48-R59 VanDerWaalsContact CB-O 3.31Å; Y48-R59 WeakPolarHBondContact CB-O 3.27Å; D52-R59 IonicContact OD1-CZ 3.63Å; D52-R59 IonicContact OD1-NH1 2.9Å; D52-R59 PolarHBondContact OD1-NH1 3.19Å; D52-R59 IonicContact OD1-NH2 3.6Å; D52-R59 PolarHBondContact OD1-NH2 3.43Å; D52-R59 IonicContact OD2-CZ 2.58Å; D52-R59 IonicContact OD2-NH1 2.8Å; D52-R59 IonicContact OD2-NH2 3.09Å; D52-R59 PolarHBondContact OD2-NH2 2.94Å; P57-R59 PolarHBondContact O-N 3.34Å |
| 60 | L | 89.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 112.1 | 165.8 | 179.4 | 69.8 | 0 | 0 | 0 | 108.9 | F15 R16 S17 Y18 A80 F128 | F15-L60 HydrophobicContact CB-CB 4.39Å; F15-L60 HydrophobicContact CD1-CB 4.07Å; F15-L60 HydrophobicContact CG-CB 4.33Å; R16-L60 PolarHBondContact O-N 3.33Å; S17-L60 CarbonylContact C-O 3.54Å; S17-L60 WeakPolarHBondContact CA-O 2.96Å; Y18-L60 PolarHBondContact N-O 3.31Å; L60-A80 HydrophobicContact CD1-CB 3.72Å; L60-F128 HydrophobicContact CD2-CB 4.01Å; L60-F128 HydrophobicContact CD2-CD1 3.77Å; L60-F128 HydrophobicContact CD2-CD2 3.71Å; L60-F128 HydrophobicContact CD2-CE1 4.1Å; L60-F128 HydrophobicContact CD2-CE2 4.05Å; L60-F128 HydrophobicContact CD2-CG 3.55Å; L60-F128 HydrophobicContact CD2-CZ 4.24Å |
| 61 | T | 90.8 | Very high | 83.9 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.1 | -179.3 | -59.2 | 0 | 0 | 0 | 0 | 111 | Y18 G46 Y47 | Y18-T61 HydrophobicContact CD1-CG2 4.17Å; Y18-T61 CarbonylContact O-C 3.57Å; Y18-T61 WeakPolarHBondContact O-CA 3.37Å; G46-T61 WeakPolarHBondContact CA-O 3.45Å; Y47-T61 PolarHBondContact N-O 3.27Å; Y47-T61 PolarHBondContact O-N 3.33Å |
| 62 | I | 92.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122.4 | 174.2 | -58.8 | 167.8 | 0 | 0 | 0 | 107.7 | Y18 I19 D20 F23 L44 S66 F128 L130 | Y18-I62 PolarHBondContact O-N 3.19Å; I19-I62 CarbonylContact C-O 3.19Å; I19-I62 WeakPolarHBondContact CA-O 3.47Å; I19-I62 HydrophobicContact CD1-CD1 4.35Å; I19-I62 HydrophobicContact CG1-CB 4.23Å; I19-I62 HydrophobicContact CG1-CD1 4.08Å; I19-I62 HydrophobicContact CG2-CB 4.38Å; I19-I62 HydrophobicContact CG2-CG2 4.34Å; D20-I62 PolarHBondContact N-O 3.02Å; F23-I62 HydrophobicContact CD1-CG2 4.48Å; F23-I62 HydrophobicContact CD2-CG2 3.64Å; F23-I62 HydrophobicContact CE2-CG2 3.84Å; F23-I62 HydrophobicContact CG-CG2 3.97Å; F23-I62 HydrophobicContact CZ-CG2 4.34Å; L44-I62 HydrophobicContact CD1-CG2 4.26Å; L44-I62 HydrophobicContact CD2-CD1 4.19Å; L44-I62 HydrophobicContact CD2-CG2 4.31Å; I62-S66 WeakPolarHBondContact CA-OG 3.48Å; I62-F128 HydrophobicContact CD1-CD2 4.39Å; I62-F128 HydrophobicContact CD1-CE2 3.51Å; I62-F128 HydrophobicContact CD1-CZ 4.01Å; I62-F128 HydrophobicContact CG1-CE2 4.24Å; I62-F128 HydrophobicContact CG1-CZ 4.24Å; I62-L130 HydrophobicContact CD1-CD2 4.39Å |
| 63 | D | 91.3 | Very high | 83.1 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | trans | -126.2 | -173.3 | -179.3 | 64.4 | 26.5 | 0 | 0 | 0 | 111.3 | D20 F23 E65 S66 R71 | D20-D63 HydrophobicContact CB-CB 4.19Å; F23-D63 WeakPolarHBondContact CD2-O 3.2Å; D63-E65 PolarHBondContact O-N 2.83Å; D63-E65 WeakPolarHBondContact OD1-CA 3.47Å; D63-E65 PolarHBondContact OD1-N 2.95Å; D63-S66 PolarHBondContact N-OG 2.83Å; D63-S66 WeakPolarHBondContact O-CB 2.99Å; D63-S66 PolarHBondContact O-N 3.16Å; D63-S66 PolarHBondContact O-OG 3.15Å; D63-S66 PolarHBondContact OD1-N 3.2Å; D63-R71 IonicContact OD1-CZ 3.05Å; D63-R71 IonicContact OD1-NH1 2.82Å; D63-R71 PolarHBondContact OD1-NH1 2.87Å; D63-R71 IonicContact OD1-NH2 4Å; D63-R71 IonicContact OD2-CZ 3.15Å; D63-R71 IonicContact OD2-NH1 3.35Å; D63-R71 PolarHBondContact OD2-NH1 2.83Å; D63-R71 IonicContact OD2-NH2 2.74Å; D63-R71 PolarHBondContact OD2-NH2 3.4Å | ||
| 64 | F | 88.5 | Confident | 82.6 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 43% | 0.425 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -62.2 | -29.4 | 180 | 77.4 | -83.7 | 0 | 0 | 0 | 114.2 | S22 S66 | S22-F64 PolarHBondContact OG-N 2.71Å; F64-S66 VanDerWaalsContact C-N 3.3Å |
| 65 | E | 88.6 | Confident | 82.2 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -81.9 | -12.8 | -179.8 | -48.2 | -179 | 144.6 | 0 | 0 | 111.6 | D63 L67 E68 R71 | D63-E65 PolarHBondContact O-N 2.83Å; D63-E65 WeakPolarHBondContact OD1-CA 3.47Å; D63-E65 PolarHBondContact OD1-N 2.95Å; E65-L67 PolarHBondContact O-N 2.97Å; E65-L67 VanDerWaalsContact O-N 3.12Å; E65-E68 WeakPolarHBondContact O-CB 3.19Å; E65-E68 PolarHBondContact O-N 3.06Å; E65-R71 VanDerWaalsContact CB-CD 3.41Å; E65-R71 IonicContact OE2-CZ 3.62Å; E65-R71 IonicContact OE2-NE 3.55Å; E65-R71 PolarHBondContact OE2-NE 2.75Å; E65-R71 IonicContact OE2-NH1 2.76Å; E65-R71 IonicContact OE2-NH2 3.35Å; E65-R71 PolarHBondContact OE2-NH2 2.7Å |
| 66 | S | 90.2 | Very high | 82.1 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -58.5 | -19.3 | 171.9 | -70.7 | 0 | 0 | 0 | 0 | 114.2 | L44 L45 I62 D63 F64 E68 | L44-S66 WeakPolarHBondContact CD1-O 3.45Å; L45-S66 PolarHBondContact N-O 3.44Å; L45-S66 WeakPolarHBondContact O-CA 3.35Å; L45-S66 WeakPolarHBondContact O-CB 3.23Å; L45-S66 PolarHBondContact O-OG 2.93Å; I62-S66 WeakPolarHBondContact CA-OG 3.48Å; D63-S66 PolarHBondContact N-OG 2.83Å; D63-S66 WeakPolarHBondContact O-CB 2.99Å; D63-S66 PolarHBondContact O-N 3.16Å; D63-S66 PolarHBondContact O-OG 3.15Å; D63-S66 PolarHBondContact OD1-N 3.2Å; F64-S66 VanDerWaalsContact C-N 3.3Å; S66-E68 VanDerWaalsContact C-N 3.29Å |
| 67 | L | 89.6 | Confident | 82 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -82.5 | -4.7 | 174.7 | -67.7 | 169.3 | 0 | 0 | 0 | 113.2 | F23 T26 A27 R30 W35 L44 E65 L84 | F23-L67 HydrophobicContact CD2-CD1 4.25Å; F23-L67 HydrophobicContact CD2-CG 4.11Å; F23-L67 HydrophobicContact CE2-CD1 4.1Å; F23-L67 HydrophobicContact CE2-CD2 3.76Å; F23-L67 HydrophobicContact CE2-CG 3.77Å; F23-L67 HydrophobicContact CZ-CD2 4.5Å; T26-L67 HydrophobicContact CG2-CD1 3.97Å; A27-L67 HydrophobicContact CB-CD1 4.28Å; R30-L67 PolarHBondContact NH1-O 3.02Å; W35-L67 HydrophobicContact CH2-CD1 3.9Å; W35-L67 HydrophobicContact CH2-CD2 3.74Å; W35-L67 HydrophobicContact CH2-CG 4.46Å; W35-L67 HydrophobicContact CZ2-CD1 4.42Å; W35-L67 HydrophobicContact CZ2-CD2 4.11Å; L44-L67 HydrophobicContact CD1-CD2 3.82Å; L44-L67 HydrophobicContact CD1-CG 4.36Å; E65-L67 PolarHBondContact O-N 2.97Å; E65-L67 VanDerWaalsContact O-N 3.12Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å |
| 68 | E | 86.8 | Confident | 82.2 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | trans | -93.6 | 116.6 | 175.3 | -58.2 | -53.8 | 134 | 0 | 0 | 110 | R30 E65 S66 D70 R71 | R30-E68 IonicContact CZ-OE1 2.79Å; R30-E68 IonicContact NH1-OE1 2.73Å; R30-E68 PolarHBondContact NH1-OE1 3.17Å; R30-E68 IonicContact NH2-OE1 2.94Å; R30-E68 PolarHBondContact NH2-OE1 3.21Å; E65-E68 WeakPolarHBondContact O-CB 3.19Å; E65-E68 PolarHBondContact O-N 3.06Å; S66-E68 VanDerWaalsContact C-N 3.29Å; E68-D70 PolarHBondContact O-N 2.87Å; E68-R71 PolarHBondContact O-N 3.33Å | ||
| 69 | P | 71.9 | Confident | 82.1 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.6 | -174.1 | 24.9 | -32.6 | 0 | 0 | 0 | 114 | ||
| 70 | D | 74.1 | Confident | 82.1 | Confident | 149 Ų | 149 | 52.1 Ų | 52.1 | 80% | 0.797 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 8.6 | -172.9 | -60.1 | -39.2 | 0 | 0 | 0 | 113.6 | E68 I72 | E68-D70 PolarHBondContact O-N 2.87Å; D70-I72 PolarHBondContact O-N 3.36Å |
| 71 | R | 73.2 | Confident | 82 | Confident | 43 Ų | 43 | 54 Ų | 54 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 128.8 | -177.1 | 178.5 | 175.1 | 178.8 | -152.3 | 15.9 | 112 | L45 Y47 D63 E65 E68 | L45-R71 HydrophobicContact CD2-CB 4.32Å; L45-R71 WeakPolarHBondContact CD2-O 3.35Å; Y47-R71 VanDerWaalsContact OH-CB 3.3Å; Y47-R71 WeakPolarHBondContact OH-CB 3.49Å; Y47-R71 WeakPolarHBondContact OH-CD 3.24Å; Y47-R71 WeakPolarHBondContact OH-CG 3.37Å; D63-R71 IonicContact OD1-CZ 3.05Å; D63-R71 IonicContact OD1-NH1 2.82Å; D63-R71 PolarHBondContact OD1-NH1 2.87Å; D63-R71 IonicContact OD1-NH2 4Å; D63-R71 IonicContact OD2-CZ 3.15Å; D63-R71 IonicContact OD2-NH1 3.35Å; D63-R71 PolarHBondContact OD2-NH1 2.83Å; D63-R71 IonicContact OD2-NH2 2.74Å; D63-R71 PolarHBondContact OD2-NH2 3.4Å; E65-R71 VanDerWaalsContact CB-CD 3.41Å; E65-R71 IonicContact OE2-CZ 3.62Å; E65-R71 IonicContact OE2-NE 3.55Å; E65-R71 PolarHBondContact OE2-NE 2.75Å; E65-R71 IonicContact OE2-NH1 2.76Å; E65-R71 IonicContact OE2-NH2 3.35Å; E65-R71 PolarHBondContact OE2-NH2 2.7Å; E68-R71 PolarHBondContact O-N 3.33Å |
| 72 | I | 72.6 | Confident | 82 | Confident | 136 Ų | 136 | 52.7 Ų | 52.7 | 70% | 0.697 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 128.4 | 171.3 | -55.5 | 172.6 | 0 | 0 | 0 | 108.3 | D70 | D70-I72 PolarHBondContact O-N 3.36Š|
| 73 | P | 72.6 | Confident | 82 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 144.3 | 172.7 | -20.3 | 26 | 0 | 0 | 0 | 112.1 | Y47 Q77 A79 | Y47-P73 HydrophobicContact CD1-CB 3.51Å; Y47-P73 HydrophobicContact CD1-CG 3.63Å; Y47-P73 HydrophobicContact CE1-CB 3.71Å; Y47-P73 HydrophobicContact CE1-CG 3.55Å; P73-Q77 HydrophobicContact CB-CB 4.27Å; P73-Q77 WeakPolarHBondContact CB-O 3.21Å; P73-A79 HydrophobicContact CG-CB 3.83Å |
| 74 | P | 72.1 | Confident | 82.2 | Confident | 44 Ų | 44 | 55 Ų | 55 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -56 | 154.7 | 165.5 | -21.6 | 32.1 | 0 | 0 | 0 | 111.4 | N76 Q77 | P74-N76 PolarHBondContact O-N 3.33Å; P74-Q77 HydrophobicContact CB-CG 4.25Å; P74-Q77 HydrophobicContact CG-CG 4.48Å; P74-Q77 WeakPolarHBondContact O-CB 3.45Å; P74-Q77 PolarHBondContact O-N 2.99Å |
| 75 | P | 70.8 | Confident | 82.4 | Confident | 116 Ų | 116 | 51.1 Ų | 51.1 | 75% | 0.753 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 139.8 | 173.3 | -24.8 | 33.3 | 0 | 0 | 0 | 111.8 | Q77 | P75-Q77 PolarHBondContact O-N 3.43Š|
| 76 | N | 74.6 | Confident | 82.6 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 17.1 | -174.9 | -51.1 | -34.5 | 0 | 0 | 0 | 115.4 | T49 P74 | T49-N76 WeakPolarHBondContact CB-O 3.48Å; T49-N76 PolarHBondContact OG1-O 3.39Å; P74-N76 PolarHBondContact O-N 3.33Å |
| 77 | Q | 81.8 | Confident | 82.8 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -117.5 | 144 | 165.5 | -57.1 | -173 | 19 | 0 | 0 | 109.9 | Y48 P73 P74 P75 | Y48-Q77 CarbonylContact O-C 3.53Å; Y48-Q77 WeakPolarHBondContact O-CA 3.39Å; P73-Q77 HydrophobicContact CB-CB 4.27Å; P73-Q77 WeakPolarHBondContact CB-O 3.21Å; P74-Q77 HydrophobicContact CB-CG 4.25Å; P74-Q77 HydrophobicContact CG-CG 4.48Å; P74-Q77 WeakPolarHBondContact O-CB 3.45Å; P74-Q77 PolarHBondContact O-N 2.99Å; P75-Q77 PolarHBondContact O-N 3.43Å | ||
| 78 | Y | 82.6 | Confident | 82.8 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.6 | -170.5 | -58.6 | -71.4 | 0 | 0 | 0 | 109.5 | Y47 Y48 N50 S185 N190 C227 | Y47-Y78 VanDerWaalsContact CA-O 3.31Å; Y47-Y78 WeakPolarHBondContact CA-O 3.49Å; Y48-Y78 WeakPolarHBondContact CD1-O 3.12Å; Y48-Y78 HydrophobicContact CD2-CD2 4.13Å; Y48-Y78 AromaticContact CE2-CD2 3.91Å; Y48-Y78 HydrophobicContact CE2-CD2 3.91Å; Y48-Y78 HydrophobicContact CE2-CG 4.06Å; Y48-Y78 VanDerWaalsContact CZ-CB 3.49Å; Y48-Y78 PolarHBondContact N-O 3.03Å; Y48-Y78 PolarHBondContact O-N 3.31Å; N50-Y78 HydrophobicContact CB-CE2 4.5Å; Y78-S185 WeakPolarHBondContact CE1-OG 3.39Å; Y78-S185 PolarHBondContact OH-OG 3.43Å; Y78-S185 VanDerWaalsContact OH-OG 3.05Å; Y78-N190 WeakPolarHBondContact CB-OD1 3.49Å; Y78-N190 WeakPolarHBondContact CD1-OD1 3.25Å; Y78-C227 HydrophobicContact CD1-CB 4.17Å; Y78-C227 HydrophobicContact CD2-CB 3.82Å; Y78-C227 HydrophobicContact CE1-CB 3.97Å; Y78-C227 WeakPolarHBondContact CE1-SG 3.45Å; Y78-C227 HydrophobicContact CE2-CB 3.58Å; Y78-C227 HydrophobicContact CG-CB 4.12Å; Y78-C227 PolarHBondContact OH-SG 3.34Å |
| 79 | A | 83.8 | Confident | 82.9 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L45 P73 N190 | L45-A79 HydrophobicContact CD1-CB 4.12Å; P73-A79 HydrophobicContact CG-CB 3.83Å; A79-N190 PolarHBondContact O-ND2 3.14Å; A79-N190 VanDerWaalsContact O-ND2 3.1Å |
| 80 | A | 86 | Confident | 83.7 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.5 | G46 Y48 L60 Y126 F128 | G46-A80 PolarHBondContact N-O 3.03Å; G46-A80 PolarHBondContact O-N 2.92Å; Y48-A80 HydrophobicContact CD1-CB 4.22Å; Y48-A80 HydrophobicContact CE1-CB 4.38Å; L60-A80 HydrophobicContact CD1-CB 3.72Å; A80-Y126 WeakPolarHBondContact CB-O 3.27Å; A80-F128 HydrophobicContact CB-CD1 4.14Å; A80-F128 HydrophobicContact CB-CE1 4.35Å; A80-F128 WeakPolarHBondContact O-CE1 3.43Å |
| 81 | V | 89 | Confident | 84.3 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.4 | -174.1 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | C123 Y126 R127 F128 | V81-C123 HydrophobicContact CG2-CB 3.91Å; V81-Y126 PolarHBondContact N-O 3.48Å; V81-R127 CarbonylContact O-C 3.49Å; V81-R127 WeakPolarHBondContact O-CA 3.33Å; V81-F128 PolarHBondContact O-N 3.5Å |
| 82 | G | 89.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 164.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L44 F128 | L44-G82 PolarHBondContact N-O 2.81Å; L44-G82 CarbonylContact O-C 3.54Å; L44-G82 WeakPolarHBondContact O-CA 3.45Å; L44-G82 PolarHBondContact O-N 2.63Å; L44-G82 VanDerWaalsContact O-O 3.1Å; G82-F128 WeakPolarHBondContact CA-O 3.48Å |
| 83 | K | 92.8 | Very high | 85.9 | Confident | 73 Ų | 73 | 38.2 Ų | 38.2 | 32% | 0.317 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.3 | 163.6 | -69.8 | 174.4 | 178.9 | 166.3 | 0 | 109.1 | L42 F85 E108 F128 Q129 L130 | L42-K83 CarbonylContact O-C 3.54Å; L42-K83 WeakPolarHBondContact O-CA 3.28Å; K83-F85 HydrophobicContact CB-CD2 4.35Å; K83-F85 HydrophobicContact CB-CE2 3.69Å; K83-F85 HydrophobicContact CB-CZ 4.31Å; K83-F85 HydrophobicContact CD-CZ 4.48Å; K83-E108 IonicContact NZ-OE1 3.19Å; K83-E108 PolarHBondContact NZ-OE1 2.9Å; K83-E108 IonicContact NZ-OE2 2.84Å; K83-E108 PolarHBondContact NZ-OE2 2.76Å; K83-F128 PolarHBondContact N-O 2.85Å; K83-F128 VanDerWaalsContact N-O 3.12Å; K83-Q129 WeakPolarHBondContact O-CA 3.22Å; K83-L130 PolarHBondContact O-N 2.87Å |
| 84 | L | 94.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.4 | 172.8 | 170.9 | 61.2 | 0 | 0 | 0 | 109.4 | F23 W35 P41 L42 L44 L67 L86 L130 A132 | F23-L84 HydrophobicContact CZ-CD1 4.46Å; F23-L84 HydrophobicContact CZ-CD2 4.1Å; W35-L84 HydrophobicContact CH2-CD2 4.26Å; W35-L84 HydrophobicContact CZ3-CD2 4.41Å; P41-L84 WeakPolarHBondContact CA-O 3.26Å; L42-L84 HydrophobicContact CB-CB 4.32Å; L42-L84 HydrophobicContact CD1-CD2 4.42Å; L42-L84 PolarHBondContact N-O 2.9Å; L42-L84 PolarHBondContact O-N 2.73Å; L44-L84 HydrophobicContact CB-CB 4.28Å; L44-L84 HydrophobicContact CD2-CB 4.27Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å; L84-L86 HydrophobicContact CD1-CD2 3.86Å; L84-L86 HydrophobicContact CD1-CG 4.03Å; L84-L86 HydrophobicContact CD2-CD1 3.95Å; L84-L86 HydrophobicContact CD2-CD2 4.33Å; L84-L86 HydrophobicContact CD2-CG 4.04Å; L84-L86 HydrophobicContact CG-CD1 4.29Å; L84-L86 HydrophobicContact CG-CD2 4.22Å; L84-L86 HydrophobicContact CG-CG 3.85Å; L84-L130 CarbonylContact C-O 3.52Å; L84-L130 WeakPolarHBondContact CA-O 3.34Å; L84-L130 HydrophobicContact CD1-CB 4.21Å; L84-L130 HydrophobicContact CD1-CD2 3.82Å; L84-L130 HydrophobicContact CD1-CG 3.72Å; L84-A132 HydrophobicContact CD1-CB 4.46Å |
| 85 | F | 94 | Very high | 87.4 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 111.1 | 174.2 | -65.5 | -100.2 | 0 | 0 | 0 | 108.8 | P41 K83 F87 H101 Q129 L130 F131 A132 | P41-F85 HydrophobicContact CB-CD1 4.04Å; P41-F85 HydrophobicContact CB-CE1 3.77Å; P41-F85 HydrophobicContact CB-CE2 4.47Å; P41-F85 HydrophobicContact CB-CZ 4Å; P41-F85 HydrophobicContact CG-CD1 3.69Å; P41-F85 HydrophobicContact CG-CE1 3.33Å; P41-F85 HydrophobicContact CG-CZ 3.99Å; K83-F85 HydrophobicContact CB-CD2 4.35Å; K83-F85 HydrophobicContact CB-CE2 3.69Å; K83-F85 HydrophobicContact CB-CZ 4.31Å; K83-F85 HydrophobicContact CD-CZ 4.48Å; F85-F87 HydrophobicContact CB-CE2 4.03Å; F85-F87 HydrophobicContact CB-CZ 4.25Å; F85-H101 AromaticContact CE1-CD2 3.7Å; F85-Q129 HydrophobicContact CE2-CB 4.21Å; F85-Q129 HydrophobicContact CE2-CG 4.1Å; F85-L130 PolarHBondContact N-O 3.34Å; F85-F131 HydrophobicContact CB-CD1 3.61Å; F85-F131 HydrophobicContact CB-CE1 4.12Å; F85-F131 HydrophobicContact CB-CG 4.48Å; F85-F131 HydrophobicContact CD1-CE1 4.22Å; F85-F131 AromaticContact CD2-CD1 3.8Å; F85-F131 HydrophobicContact CD2-CD1 3.8Å; F85-F131 AromaticContact CD2-CE1 3.53Å; F85-F131 HydrophobicContact CD2-CE1 3.53Å; F85-F131 HydrophobicContact CD2-CZ 4.23Å; F85-F131 AromaticContact CE2-CE1 3.92Å; F85-F131 HydrophobicContact CE2-CE1 3.92Å; F85-F131 HydrophobicContact CE2-CZ 4.34Å; F85-F131 AromaticContact CG-CD1 3.74Å; F85-F131 HydrophobicContact CG-CD1 3.74Å; F85-F131 AromaticContact CG-CE1 3.7Å; F85-F131 HydrophobicContact CG-CE1 3.7Å; F85-F131 HydrophobicContact CZ-CE1 4.42Å; F85-A132 PolarHBondContact O-N 2.81Å |
| 86 | L | 93.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.8 | -179.9 | -71.5 | 173.9 | 0 | 0 | 0 | 111.4 | K31 W35 E39 L42 L84 A132 I134 | K31-L86 HydrophobicContact CD-CD1 4.29Å; W35-L86 HydrophobicContact CD2-CD1 4.37Å; W35-L86 HydrophobicContact CE3-CD1 3.32Å; W35-L86 HydrophobicContact CH2-CD1 4.38Å; W35-L86 HydrophobicContact CZ3-CD1 3.34Å; E39-L86 WeakPolarHBondContact CB-O 3.44Å; E39-L86 WeakPolarHBondContact CG-O 3.32Å; L42-L86 HydrophobicContact CD1-CD1 4.22Å; L84-L86 HydrophobicContact CD1-CD2 3.86Å; L84-L86 HydrophobicContact CD1-CG 4.03Å; L84-L86 HydrophobicContact CD2-CD1 3.95Å; L84-L86 HydrophobicContact CD2-CD2 4.33Å; L84-L86 HydrophobicContact CD2-CG 4.04Å; L84-L86 HydrophobicContact CG-CD1 4.29Å; L84-L86 HydrophobicContact CG-CD2 4.22Å; L84-L86 HydrophobicContact CG-CG 3.85Å; L86-A132 WeakPolarHBondContact CA-O 3.5Å; L86-A132 HydrophobicContact CD2-CB 4.04Å; L86-I134 HydrophobicContact CD2-CD1 3.72Å; L86-I134 HydrophobicContact CD2-CG1 3.91Å |
| 87 | F | 93.6 | Very high | 88.8 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 136.9 | 177.4 | -58.2 | -87.5 | 0 | 0 | 0 | 110.5 | F85 S89 A92 F93 F96 F131 A132 H133 | F85-F87 HydrophobicContact CB-CE2 4.03Å; F85-F87 HydrophobicContact CB-CZ 4.25Å; F87-S89 VanDerWaalsContact C-N 3.31Å; F87-A92 HydrophobicContact CD1-CB 4.3Å; F87-F93 HydrophobicContact CB-CB 3.88Å; F87-F93 HydrophobicContact CD2-CB 3.92Å; F87-F93 AromaticContact CD2-CD2 3.54Å; F87-F93 HydrophobicContact CD2-CD2 3.54Å; F87-F93 HydrophobicContact CD2-CG 4.21Å; F87-F93 AromaticContact CE2-CD2 3.81Å; F87-F93 HydrophobicContact CE2-CD2 3.81Å; F87-F93 HydrophobicContact CG-CB 3.86Å; F87-F93 HydrophobicContact CG-CD2 4.36Å; F87-F96 HydrophobicContact CD1-CD2 4.49Å; F87-F96 HydrophobicContact CE1-CB 3.93Å; F87-F96 HydrophobicContact CE1-CD1 4.18Å; F87-F96 AromaticContact CE1-CD2 3.29Å; F87-F96 HydrophobicContact CE1-CD2 3.29Å; F87-F96 AromaticContact CE1-CE2 3.66Å; F87-F96 HydrophobicContact CE1-CE2 3.66Å; F87-F96 AromaticContact CE1-CG 3.54Å; F87-F96 HydrophobicContact CE1-CG 3.54Å; F87-F96 HydrophobicContact CE1-CZ 4.22Å; F87-F96 HydrophobicContact CZ-CB 3.95Å; F87-F96 AromaticContact CZ-CD1 3.59Å; F87-F96 HydrophobicContact CZ-CD1 3.59Å; F87-F96 AromaticContact CZ-CD2 3.59Å; F87-F96 HydrophobicContact CZ-CD2 3.59Å; F87-F96 AromaticContact CZ-CE1 3.84Å; F87-F96 HydrophobicContact CZ-CE1 3.84Å; F87-F96 AromaticContact CZ-CE2 3.8Å; F87-F96 HydrophobicContact CZ-CE2 3.8Å; F87-F96 AromaticContact CZ-CG 3.42Å; F87-F96 HydrophobicContact CZ-CG 3.42Å; F87-F96 VanDerWaalsContact CZ-CG 3.42Å; F87-F96 AromaticContact CZ-CZ 3.89Å; F87-F96 HydrophobicContact CZ-CZ 3.89Å; F87-F131 HydrophobicContact CE2-CB 4.13Å; F87-F131 HydrophobicContact CE2-CD1 4.15Å; F87-F131 HydrophobicContact CZ-CD1 4.25Å; F87-A132 WeakPolarHBondContact CD2-O 3.47Å; F87-A132 PolarHBondContact N-O 3.26Å; F87-H133 HydrophobicContact CB-CB 4.47Å; F87-H133 PolarHBondContact O-CD2 3.02Å; F87-H133 VanDerWaalsContact O-CD2 3.31Å |
| 88 | N | 89.2 | Confident | 88.9 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -78.1 | -14 | 178.7 | -68.2 | -45 | 0 | 0 | 0 | 113.6 | K31 L37 E39 | K31-N88 WeakPolarHBondContact CE-OD1 3.34Å; K31-N88 PolarHBondContact NZ-OD1 2.83Å; L37-N88 PolarHBondContact O-ND2 3.36Å; E39-N88 VanDerWaalsContact CD-ND2 3.32Å; E39-N88 WeakPolarHBondContact CG-ND2 3.48Å; E39-N88 WeakPolarHBondContact OE1-CB 3.44Å; E39-N88 PolarHBondContact OE1-N 2.8Å; E39-N88 PolarHBondContact OE1-ND2 3.39Å |
| 89 | S | 89.3 | Confident | 88.9 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -139.1 | 149.1 | 176.5 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | F87 D91 A92 F93 | F87-S89 VanDerWaalsContact C-N 3.31Å; S89-D91 PolarHBondContact O-N 3.03Å; S89-A92 PolarHBondContact O-N 2.79Å; S89-A92 VanDerWaalsContact OG-CB 3.22Å; S89-A92 WeakPolarHBondContact OG-CB 3.39Å; S89-A92 PolarHBondContact OG-N 2.96Å; S89-A92 VanDerWaalsContact OG-N 3.11Å; S89-F93 PolarHBondContact O-N 3.44Å; S89-F93 VanDerWaalsContact O-N 3.13Å |
| 90 | L | 88.7 | Confident | 88.9 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 177.7 | -175.3 | 61.8 | 0 | 0 | 0 | 111.7 | F93 R94 H133 H142 | L90-F93 HydrophobicContact CD1-CD1 4.13Å; L90-F93 PolarHBondContact O-N 2.9Å; L90-R94 WeakPolarHBondContact O-CB 3.46Å; L90-R94 VanDerWaalsContact O-CG 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.36Å; L90-R94 PolarHBondContact O-N 2.86Å; L90-H133 PolarHBondContact N-CD2 3.36Å; L90-H133 VanDerWaalsContact N-CD2 3.29Å; L90-H133 PolarHBondContact N-NE2 3.07Å; L90-H142 HydrophobicContact CD1-CB 4Å |
| 91 | D | 87.6 | Confident | 88.8 | Confident | 115 Ų | 115 | 50 Ų | 50 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.5 | -40.1 | 178.2 | -64.9 | -29.8 | 0 | 0 | 0 | 111.4 | S89 R94 A95 | S89-D91 PolarHBondContact O-N 3.03Å; D91-R94 PolarHBondContact O-N 3.25Å; D91-A95 VanDerWaalsContact O-CB 3.27Å; D91-A95 WeakPolarHBondContact O-CB 3.38Å; D91-A95 PolarHBondContact O-N 3.4Å |
| 92 | A | 88.3 | Confident | 88.6 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F87 S89 R94 A95 F96 | F87-A92 HydrophobicContact CD1-CB 4.3Å; S89-A92 PolarHBondContact O-N 2.79Å; S89-A92 VanDerWaalsContact OG-CB 3.22Å; S89-A92 WeakPolarHBondContact OG-CB 3.39Å; S89-A92 PolarHBondContact OG-N 2.96Å; S89-A92 VanDerWaalsContact OG-N 3.11Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 3.35Å; A92-A95 PolarHBondContact O-N 2.99Å; A92-F96 WeakPolarHBondContact O-CB 3.45Å; A92-F96 PolarHBondContact O-N 2.76Å; A92-F96 VanDerWaalsContact O-N 3.12Å |
| 93 | F | 91.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.022 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 174.5 | 172 | -102.1 | 0 | 0 | 0 | 112.7 | F87 S89 L90 F131 H133 H142 I144 V285 | F87-F93 HydrophobicContact CB-CB 3.88Å; F87-F93 HydrophobicContact CD2-CB 3.92Å; F87-F93 AromaticContact CD2-CD2 3.54Å; F87-F93 HydrophobicContact CD2-CD2 3.54Å; F87-F93 HydrophobicContact CD2-CG 4.21Å; F87-F93 AromaticContact CE2-CD2 3.81Å; F87-F93 HydrophobicContact CE2-CD2 3.81Å; F87-F93 HydrophobicContact CG-CB 3.86Å; F87-F93 HydrophobicContact CG-CD2 4.36Å; S89-F93 PolarHBondContact O-N 3.44Å; S89-F93 VanDerWaalsContact O-N 3.13Å; L90-F93 HydrophobicContact CD1-CD1 4.13Å; L90-F93 PolarHBondContact O-N 2.9Å; F93-F131 HydrophobicContact CE2-CB 3.92Å; F93-F131 WeakPolarHBondContact CE2-O 3.43Å; F93-H133 HydrophobicContact CB-CB 3.89Å; F93-H133 HydrophobicContact CD1-CB 4.48Å; F93-H133 HydrophobicContact CG-CB 4.06Å; F93-H142 HydrophobicContact CD1-CB 4.37Å; F93-H142 HydrophobicContact CE1-CB 4.05Å; F93-I144 HydrophobicContact CZ-CG1 4.32Å; F93-V285 HydrophobicContact CE1-CB 4.2Å; F93-V285 HydrophobicContact CE1-CG1 3.51Å; F93-V285 HydrophobicContact CE1-CG2 3.57Å; F93-V285 HydrophobicContact CZ-CG1 3.92Å; F93-V285 HydrophobicContact CZ-CG2 3.98Å |
| 94 | R | 88.3 | Confident | 88 | Confident | 166 Ų | 166 | 54.5 Ų | 54.5 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -73.8 | -33.6 | 179.1 | -76.5 | 172.7 | 173.6 | 179.3 | -3.2 | 113.7 | L90 D91 A92 F96 | L90-R94 WeakPolarHBondContact O-CB 3.46Å; L90-R94 VanDerWaalsContact O-CG 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.36Å; L90-R94 PolarHBondContact O-N 2.86Å; D91-R94 PolarHBondContact O-N 3.25Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 3.35Å; R94-F96 VanDerWaalsContact C-N 3.31Å |
| 95 | A | 86.6 | Confident | 87.6 | Confident | 88 Ų | 88 | 54.6 Ų | 54.6 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -83.5 | -7.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | D91 A92 | D91-A95 VanDerWaalsContact O-CB 3.27Å; D91-A95 WeakPolarHBondContact O-CB 3.38Å; D91-A95 PolarHBondContact O-N 3.4Å; A92-A95 PolarHBondContact O-N 2.99Å |
| 96 | F | 87.3 | Confident | 87.1 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 23% | 0.232 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -70.4 | 132.8 | -174.9 | -166.7 | -106.1 | 0 | 0 | 0 | 112.8 | F87 A92 R94 L98 H101 F131 | F87-F96 HydrophobicContact CD1-CD2 4.49Å; F87-F96 HydrophobicContact CE1-CB 3.93Å; F87-F96 HydrophobicContact CE1-CD1 4.18Å; F87-F96 AromaticContact CE1-CD2 3.29Å; F87-F96 HydrophobicContact CE1-CD2 3.29Å; F87-F96 AromaticContact CE1-CE2 3.66Å; F87-F96 HydrophobicContact CE1-CE2 3.66Å; F87-F96 AromaticContact CE1-CG 3.54Å; F87-F96 HydrophobicContact CE1-CG 3.54Å; F87-F96 HydrophobicContact CE1-CZ 4.22Å; F87-F96 HydrophobicContact CZ-CB 3.95Å; F87-F96 AromaticContact CZ-CD1 3.59Å; F87-F96 HydrophobicContact CZ-CD1 3.59Å; F87-F96 AromaticContact CZ-CD2 3.59Å; F87-F96 HydrophobicContact CZ-CD2 3.59Å; F87-F96 AromaticContact CZ-CE1 3.84Å; F87-F96 HydrophobicContact CZ-CE1 3.84Å; F87-F96 AromaticContact CZ-CE2 3.8Å; F87-F96 HydrophobicContact CZ-CE2 3.8Å; F87-F96 AromaticContact CZ-CG 3.42Å; F87-F96 HydrophobicContact CZ-CG 3.42Å; F87-F96 VanDerWaalsContact CZ-CG 3.42Å; F87-F96 AromaticContact CZ-CZ 3.89Å; F87-F96 HydrophobicContact CZ-CZ 3.89Å; A92-F96 WeakPolarHBondContact O-CB 3.45Å; A92-F96 PolarHBondContact O-N 2.76Å; A92-F96 VanDerWaalsContact O-N 3.12Å; R94-F96 VanDerWaalsContact C-N 3.31Å; F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 HydrophobicContact CD1-CD2 4.05Å; F96-L98 HydrophobicContact CD1-CG 4.41Å; F96-L98 PolarHBondContact O-N 2.83Å; F96-H101 HydrophobicContact CE1-CB 4.07Å; F96-H101 AromaticContact CE1-CD2 3.76Å; F96-H101 AromaticContact CE1-CG 3.67Å; F96-H101 HydrophobicContact CZ-CB 4.48Å; F96-H101 AromaticContact CZ-CD2 3.34Å; F96-H101 WeakPolarHBondContact CZ-CD2 3.43Å; F96-H101 AromaticContact CZ-CE1 3.62Å; F96-H101 AromaticContact CZ-CG 3.6Å; F96-H101 AromaticContact CZ-ND1 3.77Å; F96-H101 AromaticContact CZ-NE2 3.37Å; F96-H101 WeakPolarHBondContact CZ-NE2 3.25Å; F96-F131 HydrophobicContact CD1-CD1 4.17Å; F96-F131 HydrophobicContact CD1-CE1 4.23Å; F96-F131 AromaticContact CE1-CD1 3.8Å; F96-F131 HydrophobicContact CE1-CD1 3.8Å; F96-F131 AromaticContact CE1-CE1 3.5Å; F96-F131 HydrophobicContact CE1-CE1 3.5Å; F96-F131 VanDerWaalsContact CE1-CE1 3.5Å; F96-F131 HydrophobicContact CE1-CZ 4.43Å; F96-F131 HydrophobicContact CZ-CE1 4.34Å |
| 97 | D | 86.6 | Confident | 86.7 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | trans | -76.3 | 79.3 | 176.5 | -178.8 | 16.9 | 0 | 0 | 0 | 111.9 | N99 G100 H101 | D97-N99 VanDerWaalsContact C-N 3.26Å; D97-N99 PolarHBondContact O-N 3.14Å; D97-N99 PolarHBondContact OD1-N 2.97Å; D97-G100 PolarHBondContact O-N 2.88Å; D97-G100 PolarHBondContact OD1-N 3.02Å; D97-G100 WeakPolarHBondContact OD2-CA 3.39Å; D97-G100 PolarHBondContact OD2-N 2.92Å; D97-H101 PolarHBondContact O-N 3.42Å; D97-H101 VanDerWaalsContact O-N 3.15Å | ||
| 98 | L | 85.6 | Confident | 86.4 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.5 | -40 | 176.6 | -67.4 | 168.5 | 0 | 0 | 0 | 112.3 | F96 H101 L102 F131 I144 | F96-L98 VanDerWaalsContact C-N 3.31Å; F96-L98 HydrophobicContact CD1-CD2 4.05Å; F96-L98 HydrophobicContact CD1-CG 4.41Å; F96-L98 PolarHBondContact O-N 2.83Å; L98-H101 PolarHBondContact O-N 3.5Å; L98-L102 WeakPolarHBondContact O-CG 3.22Å; L98-L102 PolarHBondContact O-N 3.26Å; L98-F131 HydrophobicContact CD2-CB 3.9Å; L98-F131 HydrophobicContact CD2-CD1 3.82Å; L98-F131 HydrophobicContact CD2-CD2 3.44Å; L98-F131 VanDerWaalsContact CD2-CD2 3.44Å; L98-F131 HydrophobicContact CD2-CE1 4.19Å; L98-F131 HydrophobicContact CD2-CE2 3.81Å; L98-F131 HydrophobicContact CD2-CG 3.42Å; L98-F131 VanDerWaalsContact CD2-CG 3.42Å; L98-F131 HydrophobicContact CD2-CZ 4.15Å; L98-I144 HydrophobicContact CD1-CD1 3.8Å; L98-I144 HydrophobicContact CD1-CG2 4.48Å |
| 99 | N | 81.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70 | -43.8 | -176.2 | -71.6 | -33.5 | 0 | 0 | 0 | 111.4 | D97 H101 L102 K103 P273 | D97-N99 VanDerWaalsContact C-N 3.26Å; D97-N99 PolarHBondContact O-N 3.14Å; D97-N99 PolarHBondContact OD1-N 2.97Å; N99-H101 VanDerWaalsContact C-N 3.34Å; N99-L102 PolarHBondContact O-N 2.9Å; N99-K103 WeakPolarHBondContact O-CB 3.5Å; N99-K103 PolarHBondContact O-N 3.47Å; N99-P273 WeakPolarHBondContact OD1-CB 3.31Å; N99-P273 WeakPolarHBondContact OD1-CG 3.42Å |
| 100 | G | 83.3 | Confident | 86 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D97 K103 N104 | D97-G100 PolarHBondContact O-N 2.88Å; D97-G100 PolarHBondContact OD1-N 3.02Å; D97-G100 WeakPolarHBondContact OD2-CA 3.39Å; D97-G100 PolarHBondContact OD2-N 2.92Å; G100-K103 WeakPolarHBondContact O-CB 3.24Å; G100-K103 PolarHBondContact O-N 3.45Å; G100-N104 PolarHBondContact O-N 3.29Å |
| 101 | H | 85.1 | Confident | 85.9 | Confident | 63 Ų | 63 | 56 Ų | 56 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 178 | -90.9 | 50.3 | 0 | 0 | 0 | 113.6 | F85 F96 D97 L98 N99 K103 N104 A105 F131 | F85-H101 AromaticContact CE1-CD2 3.7Å; F96-H101 HydrophobicContact CE1-CB 4.07Å; F96-H101 AromaticContact CE1-CD2 3.76Å; F96-H101 AromaticContact CE1-CG 3.67Å; F96-H101 HydrophobicContact CZ-CB 4.48Å; F96-H101 AromaticContact CZ-CD2 3.34Å; F96-H101 WeakPolarHBondContact CZ-CD2 3.43Å; F96-H101 AromaticContact CZ-CE1 3.62Å; F96-H101 AromaticContact CZ-CG 3.6Å; F96-H101 AromaticContact CZ-ND1 3.77Å; F96-H101 AromaticContact CZ-NE2 3.37Å; F96-H101 WeakPolarHBondContact CZ-NE2 3.25Å; D97-H101 PolarHBondContact O-N 3.42Å; D97-H101 VanDerWaalsContact O-N 3.15Å; L98-H101 PolarHBondContact O-N 3.5Å; N99-H101 VanDerWaalsContact C-N 3.34Å; H101-K103 VanDerWaalsContact C-N 3.29Å; H101-K103 PolarHBondContact O-N 3.45Å; H101-N104 PolarHBondContact O-N 3.33Å; H101-A105 PolarHBondContact O-N 2.64Å; H101-F131 HydrophobicContact CB-CE1 4.33Å; H101-F131 HydrophobicContact CB-CZ 4.15Å |
| 102 | L | 84.5 | Confident | 85.8 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -33.6 | 174.1 | -74.2 | 171.7 | 0 | 0 | 0 | 112.4 | L98 N99 A105 A106 Q129 F131 P273 L275 | L98-L102 WeakPolarHBondContact O-CG 3.22Å; L98-L102 PolarHBondContact O-N 3.26Å; N99-L102 PolarHBondContact O-N 2.9Å; L102-A105 PolarHBondContact O-N 2.91Å; L102-A106 WeakPolarHBondContact O-CB 3.33Å; L102-A106 PolarHBondContact O-N 2.79Å; L102-Q129 HydrophobicContact CD2-CB 4.41Å; L102-Q129 HydrophobicContact CD2-CG 4.46Å; L102-F131 HydrophobicContact CD2-CE2 4.49Å; L102-P273 HydrophobicContact CD1-CB 4.21Å; L102-L275 HydrophobicContact CD1-CD1 4.41Å; L102-L275 HydrophobicContact CD1-CD2 3.48Å; L102-L275 VanDerWaalsContact CD1-CD2 3.48Å; L102-L275 HydrophobicContact CD1-CG 3.61Å |
| 103 | K | 84.1 | Confident | 85.4 | Confident | 115 Ų | 115 | 49.9 Ų | 49.9 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 173.1 | -168.6 | -175.5 | 179.8 | -174.3 | 0 | 111.5 | N99 G100 H101 A106 S107 F271 | N99-K103 WeakPolarHBondContact O-CB 3.5Å; N99-K103 PolarHBondContact O-N 3.47Å; G100-K103 WeakPolarHBondContact O-CB 3.24Å; G100-K103 PolarHBondContact O-N 3.45Å; H101-K103 VanDerWaalsContact C-N 3.29Å; H101-K103 PolarHBondContact O-N 3.45Å; K103-A106 PolarHBondContact O-N 3.08Å; K103-S107 PolarHBondContact O-N 3.38Å; K103-S107 PolarHBondContact O-OG 2.87Å; K103-F271 HydrophobicContact CD-CD2 4.13Å; K103-F271 HydrophobicContact CG-CB 3.95Å; K103-F271 HydrophobicContact CG-CD2 3.4Å; K103-F271 HydrophobicContact CG-CE2 3.95Å; K103-F271 HydrophobicContact CG-CG 3.81Å |
| 104 | N | 85.6 | Confident | 84.8 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 175.9 | -68.7 | -13.8 | 0 | 0 | 0 | 111.4 | G100 H101 A106 S107 E108 | G100-N104 PolarHBondContact O-N 3.29Å; H101-N104 PolarHBondContact O-N 3.33Å; N104-A106 VanDerWaalsContact C-N 3.33Å; N104-A106 PolarHBondContact O-N 3.47Å; N104-S107 CarbonylContact O-C 3.6Å; N104-S107 WeakPolarHBondContact O-CA 3.26Å; N104-S107 VanDerWaalsContact O-CB 3.29Å; N104-S107 WeakPolarHBondContact O-CB 3.29Å; N104-S107 PolarHBondContact O-N 3.49Å; N104-E108 PolarHBondContact O-N 2.93Å |
| 105 | A | 85.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H101 L102 S107 E108 I109 Q129 P148 | H101-A105 PolarHBondContact O-N 2.64Å; L102-A105 PolarHBondContact O-N 2.91Å; A105-S107 VanDerWaalsContact C-N 3.29Å; A105-S107 PolarHBondContact O-N 3.09Å; A105-E108 WeakPolarHBondContact O-CB 3.37Å; A105-E108 PolarHBondContact O-N 3.37Å; A105-I109 WeakPolarHBondContact O-CG1 3.5Å; A105-I109 PolarHBondContact O-N 3.44Å; A105-I109 VanDerWaalsContact O-N 3.08Å; A105-Q129 HydrophobicContact CB-CG 4.43Å; A105-Q129 VanDerWaalsContact CB-NE2 3.33Å; A105-P148 HydrophobicContact CB-CB 3.91Å; A105-P148 HydrophobicContact CB-CG 3.93Å |
| 106 | A | 83.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.2 | -30.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | L102 K103 N104 I109 W110 P148 F271 | L102-A106 WeakPolarHBondContact O-CB 3.33Å; L102-A106 PolarHBondContact O-N 2.79Å; K103-A106 PolarHBondContact O-N 3.08Å; N104-A106 VanDerWaalsContact C-N 3.33Å; N104-A106 PolarHBondContact O-N 3.47Å; A106-I109 PolarHBondContact O-N 3.3Å; A106-W110 PolarHBondContact O-N 2.88Å; A106-P148 HydrophobicContact CB-CB 3.79Å; A106-F271 HydrophobicContact CB-CD1 3.27Å; A106-F271 HydrophobicContact CB-CE1 3.35Å; A106-F271 HydrophobicContact CB-CG 4.33Å; A106-F271 HydrophobicContact CB-CZ 4.42Å |
| 107 | S | 85.3 | Confident | 84 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.4 | -34.6 | 171.5 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | K103 N104 A105 W110 S111 F271 | K103-S107 PolarHBondContact O-N 3.38Å; K103-S107 PolarHBondContact O-OG 2.87Å; N104-S107 CarbonylContact O-C 3.6Å; N104-S107 WeakPolarHBondContact O-CA 3.26Å; N104-S107 VanDerWaalsContact O-CB 3.29Å; N104-S107 WeakPolarHBondContact O-CB 3.29Å; N104-S107 PolarHBondContact O-N 3.49Å; A105-S107 VanDerWaalsContact C-N 3.29Å; A105-S107 PolarHBondContact O-N 3.09Å; S107-W110 PolarHBondContact O-N 2.97Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.17Å; S107-F271 WeakPolarHBondContact OG-CZ 3.28Å |
| 108 | E | 87 | Confident | 83.6 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 170.5 | -68.3 | 178.5 | -168.7 | 0 | 0 | 111 | K83 N104 A105 W110 S111 D112 | K83-E108 IonicContact NZ-OE1 3.19Å; K83-E108 PolarHBondContact NZ-OE1 2.9Å; K83-E108 IonicContact NZ-OE2 2.84Å; K83-E108 PolarHBondContact NZ-OE2 2.76Å; N104-E108 PolarHBondContact O-N 2.93Å; A105-E108 WeakPolarHBondContact O-CB 3.37Å; A105-E108 PolarHBondContact O-N 3.37Å; E108-W110 VanDerWaalsContact C-N 3.31Å; E108-W110 PolarHBondContact O-N 3.26Å; E108-S111 WeakPolarHBondContact O-CB 3.36Å; E108-S111 PolarHBondContact O-N 3.24Å; E108-D112 PolarHBondContact O-N 3.31Å |
| 109 | I | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 173.5 | -62.1 | 174.6 | 0 | 0 | 0 | 110.2 | A105 A106 S111 D112 I113 L125 R127 P148 V150 | A105-I109 WeakPolarHBondContact O-CG1 3.5Å; A105-I109 PolarHBondContact O-N 3.44Å; A105-I109 VanDerWaalsContact O-N 3.08Å; A106-I109 PolarHBondContact O-N 3.3Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.42Å; I109-D112 PolarHBondContact O-N 3.1Å; I109-I113 HydrophobicContact CG2-CD1 3.82Å; I109-I113 HydrophobicContact CG2-CG1 4.37Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.3Å; I109-I113 PolarHBondContact O-N 3.02Å; I109-L125 HydrophobicContact CG2-CD2 4.21Å; I109-R127 HydrophobicContact CD1-CB 4.14Å; I109-R127 HydrophobicContact CG1-CB 4.29Å; I109-R127 HydrophobicContact CG1-CG 4.35Å; I109-P148 HydrophobicContact CD1-CB 3.91Å; I109-P148 HydrophobicContact CD1-CG 3.74Å; I109-V150 HydrophobicContact CB-CG2 4.03Å; I109-V150 HydrophobicContact CG2-CG2 3.71Å |
| 110 | W | 84.3 | Confident | 82.8 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 179.8 | -171.5 | -117.6 | 0 | 0 | 0 | 112.9 | A106 S107 E108 D112 I113 K114 V150 A249 L268 | A106-W110 PolarHBondContact O-N 2.88Å; S107-W110 PolarHBondContact O-N 2.97Å; E108-W110 VanDerWaalsContact C-N 3.31Å; E108-W110 PolarHBondContact O-N 3.26Å; W110-D112 VanDerWaalsContact C-N 3.35Å; W110-I113 HydrophobicContact CE3-CB 4.28Å; W110-I113 HydrophobicContact CE3-CD1 4.12Å; W110-I113 HydrophobicContact CE3-CG2 4.13Å; W110-I113 HydrophobicContact CZ3-CG2 4.03Å; W110-I113 CarbonylContact O-C 3.59Å; W110-I113 PolarHBondContact O-N 2.98Å; W110-K114 VanDerWaalsContact NE1-CE 3.3Å; W110-K114 PolarHBondContact O-N 3.25Å; W110-V150 HydrophobicContact CE3-CG1 3.62Å; W110-V150 HydrophobicContact CZ3-CG1 3.99Å; W110-A249 HydrophobicContact CH2-CB 3.51Å; W110-A249 HydrophobicContact CZ2-CB 4.5Å; W110-A249 HydrophobicContact CZ3-CB 3.73Å; W110-L268 HydrophobicContact CH2-CB 4.04Å; W110-L268 HydrophobicContact CH2-CD1 4.04Å; W110-L268 HydrophobicContact CH2-CD2 3.77Å; W110-L268 HydrophobicContact CH2-CG 4.16Å; W110-L268 HydrophobicContact CZ2-CB 3.73Å; W110-L268 HydrophobicContact CZ2-CD1 4Å; W110-L268 HydrophobicContact CZ2-CD2 4.32Å; W110-L268 HydrophobicContact CZ2-CG 4.23Å |
| 111 | S | 86.2 | Confident | 82.6 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 44% | 0.441 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 173.5 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | S107 E108 I109 I113 K114 N115 | S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.17Å; E108-S111 WeakPolarHBondContact O-CB 3.36Å; E108-S111 PolarHBondContact O-N 3.24Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.42Å; S111-I113 VanDerWaalsContact C-N 3.32Å; S111-I113 PolarHBondContact O-N 2.97Å; S111-K114 PolarHBondContact O-N 2.76Å; S111-K114 VanDerWaalsContact O-N 3.08Å; S111-N115 WeakPolarHBondContact O-CB 3.46Å; S111-N115 PolarHBondContact O-N 2.78Å; S111-N115 PolarHBondContact O-ND2 3.47Å; S111-N115 PolarHBondContact O-OD1 3.21Å |
| 112 | D | 84.6 | Confident | 82.1 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.102 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.1 | -72.4 | -14 | 0 | 0 | 0 | 112.7 | E108 I109 W110 K114 N115 G116 T117 W118 R127 | E108-D112 PolarHBondContact O-N 3.31Å; I109-D112 PolarHBondContact O-N 3.1Å; W110-D112 VanDerWaalsContact C-N 3.35Å; D112-K114 VanDerWaalsContact C-N 3.3Å; D112-N115 WeakPolarHBondContact CA-OD1 3.27Å; D112-N115 PolarHBondContact O-OD1 2.94Å; D112-G116 PolarHBondContact O-N 2.95Å; D112-T117 PolarHBondContact O-N 3.1Å; D112-W118 VanDerWaalsContact O-CD1 3.28Å; D112-R127 IonicContact OD2-CZ 2.63Å; D112-R127 IonicContact OD2-NH1 2.87Å; D112-R127 PolarHBondContact OD2-NH1 3.17Å; D112-R127 IonicContact OD2-NH2 2.84Å; D112-R127 PolarHBondContact OD2-NH2 2.78Å |
| 113 | I | 80.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 171.3 | -69.7 | 170 | 0 | 0 | 0 | 110.8 | I109 W110 S111 L125 A246 A249 F250 | I109-I113 HydrophobicContact CG2-CD1 3.82Å; I109-I113 HydrophobicContact CG2-CG1 4.37Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.3Å; I109-I113 PolarHBondContact O-N 3.02Å; W110-I113 HydrophobicContact CE3-CB 4.28Å; W110-I113 HydrophobicContact CE3-CD1 4.12Å; W110-I113 HydrophobicContact CE3-CG2 4.13Å; W110-I113 HydrophobicContact CZ3-CG2 4.03Å; W110-I113 CarbonylContact O-C 3.59Å; W110-I113 PolarHBondContact O-N 2.98Å; S111-I113 VanDerWaalsContact C-N 3.32Å; S111-I113 PolarHBondContact O-N 2.97Å; I113-L125 HydrophobicContact CD1-CD2 3.88Å; I113-L125 HydrophobicContact CG1-CD2 3.59Å; I113-A246 HydrophobicContact CD1-CB 3.79Å; I113-A246 HydrophobicContact CG1-CB 3.74Å; I113-A246 HydrophobicContact CG2-CB 4.19Å; I113-A249 HydrophobicContact CG2-CB 3.47Å; I113-A249 VanDerWaalsContact CG2-CB 3.47Å; I113-F250 WeakPolarHBondContact O-CD2 3.33Å; I113-F250 WeakPolarHBondContact O-CE2 3.34Å |
| 114 | K | 79.6 | Confident | 81.9 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 48% | 0.478 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.4 | -36.8 | 179.1 | -78.7 | -167.7 | 160.7 | -165.4 | 0 | 113 | W110 S111 D112 D265 | W110-K114 VanDerWaalsContact NE1-CE 3.3Å; W110-K114 PolarHBondContact O-N 3.25Å; S111-K114 PolarHBondContact O-N 2.76Å; S111-K114 VanDerWaalsContact O-N 3.08Å; D112-K114 VanDerWaalsContact C-N 3.3Å; K114-D265 IonicContact NZ-OD1 2.85Å; K114-D265 PolarHBondContact NZ-OD1 3.42Å |
| 115 | N | 83.1 | Confident | 81.8 | Confident | 88 Ų | 88 | 41.1 Ų | 41.1 | 47% | 0.471 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -88.7 | -7.2 | -175.1 | 69.2 | 21.8 | 0 | 0 | 0 | 113.7 | S111 D112 T117 | S111-N115 WeakPolarHBondContact O-CB 3.46Å; S111-N115 PolarHBondContact O-N 2.78Å; S111-N115 PolarHBondContact O-ND2 3.47Å; S111-N115 PolarHBondContact O-OD1 3.21Å; D112-N115 WeakPolarHBondContact CA-OD1 3.27Å; D112-N115 PolarHBondContact O-OD1 2.94Å; N115-T117 VanDerWaalsContact C-N 3.32Å; N115-T117 PolarHBondContact ND2-OG1 2.65Å; N115-T117 PolarHBondContact O-N 3.29Å; N115-T117 WeakPolarHBondContact OD1-CB 3.26Å; N115-T117 PolarHBondContact OD1-N 3.09Å; N115-T117 PolarHBondContact OD1-OG1 2.77Å |
| 116 | G | 78.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 5.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D112 W118 L119 F250 | D112-G116 PolarHBondContact O-N 2.95Å; G116-W118 PolarHBondContact O-N 2.9Å; G116-L119 VanDerWaalsContact O-CB 3.26Å; G116-L119 WeakPolarHBondContact O-CB 3.04Å; G116-L119 WeakPolarHBondContact O-CG 3.49Å; G116-L119 PolarHBondContact O-N 3.13Å; G116-L119 VanDerWaalsContact O-N 3.08Å; G116-F250 VanDerWaalsContact CA-CZ 3.41Å |
| 117 | T | 82.8 | Confident | 81.9 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63 | -32.9 | -178.4 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | D112 N115 L119 N120 R121 L124 | D112-T117 PolarHBondContact O-N 3.1Å; N115-T117 VanDerWaalsContact C-N 3.32Å; N115-T117 PolarHBondContact ND2-OG1 2.65Å; N115-T117 PolarHBondContact O-N 3.29Å; N115-T117 WeakPolarHBondContact OD1-CB 3.26Å; N115-T117 PolarHBondContact OD1-N 3.09Å; N115-T117 PolarHBondContact OD1-OG1 2.77Å; T117-L119 PolarHBondContact O-N 2.89Å; T117-N120 PolarHBondContact O-N 3.28Å; T117-R121 PolarHBondContact O-N 2.81Å; T117-R121 VanDerWaalsContact O-N 3.09Å; T117-L124 HydrophobicContact CG2-CD1 3.79Å |
| 118 | W | 79.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -25.5 | 176.9 | 76.9 | -81.8 | 0 | 0 | 0 | 113.6 | D112 G116 N120 R121 P122 L125 H191 F209 L243 A246 F250 | D112-W118 VanDerWaalsContact O-CD1 3.28Å; G116-W118 PolarHBondContact O-N 2.9Å; W118-N120 PolarHBondContact O-N 3.29Å; W118-R121 CarbonylContact O-C 3.58Å; W118-R121 PolarHBondContact O-N 2.97Å; W118-P122 WeakPolarHBondContact O-CA 3.25Å; W118-P122 WeakPolarHBondContact O-CD 3.37Å; W118-L125 HydrophobicContact CB-CD2 3.91Å; W118-L125 HydrophobicContact CB-CG 4.08Å; W118-L125 HydrophobicContact CD2-CD1 4.14Å; W118-L125 HydrophobicContact CD2-CD2 4.27Å; W118-L125 HydrophobicContact CD2-CG 4.4Å; W118-L125 HydrophobicContact CE3-CD1 3.54Å; W118-L125 HydrophobicContact CE3-CD2 4.48Å; W118-L125 HydrophobicContact CE3-CG 4.14Å; W118-L125 HydrophobicContact CG-CD2 4.07Å; W118-L125 HydrophobicContact CG-CG 4.43Å; W118-L125 HydrophobicContact CZ3-CD1 3.97Å; W118-H191 AromaticContact CE3-NE2 3.69Å; W118-H191 AromaticContact CZ3-NE2 3.49Å; W118-H191 WeakPolarHBondContact CZ3-NE2 3.33Å; W118-F209 AromaticContact CH2-CD1 3.51Å; W118-F209 HydrophobicContact CH2-CD1 3.51Å; W118-F209 AromaticContact CH2-CE1 3.75Å; W118-F209 HydrophobicContact CH2-CE1 3.75Å; W118-F209 HydrophobicContact CH2-CG 4.24Å; W118-F209 AromaticContact CZ3-CD1 3.86Å; W118-F209 HydrophobicContact CZ3-CD1 3.86Å; W118-F209 HydrophobicContact CZ3-CE1 4.01Å; W118-F209 HydrophobicContact CZ3-CG 4.24Å; W118-L243 HydrophobicContact CH2-CD1 4.37Å; W118-L243 HydrophobicContact CZ3-CD1 3.95Å; W118-A246 HydrophobicContact CD2-CB 4.3Å; W118-A246 HydrophobicContact CH2-CB 4.07Å; W118-A246 HydrophobicContact CZ2-CB 3.78Å; W118-A246 HydrophobicContact CZ3-CB 4.47Å; W118-F250 HydrophobicContact CZ2-CD2 4.22Å; W118-F250 AromaticContact NE1-CD2 3.41Å; W118-F250 AromaticContact NE1-CE2 3.36Å |
| 119 | L | 75.6 | Confident | 82.4 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -33.7 | 178.8 | -57.7 | 168.8 | 0 | 0 | 0 | 111 | G116 T117 F209 F250 L252 | G116-L119 VanDerWaalsContact O-CB 3.26Å; G116-L119 WeakPolarHBondContact O-CB 3.04Å; G116-L119 WeakPolarHBondContact O-CG 3.49Å; G116-L119 PolarHBondContact O-N 3.13Å; G116-L119 VanDerWaalsContact O-N 3.08Å; T117-L119 PolarHBondContact O-N 2.89Å; L119-F209 HydrophobicContact CD2-CB 3.6Å; L119-F250 HydrophobicContact CD1-CE2 4.35Å; L119-F250 HydrophobicContact CD1-CZ 4.19Å; L119-L252 HydrophobicContact CD2-CD1 4.34Å |
| 120 | N | 74.5 | Confident | 82.8 | Confident | 137 Ų | 137 | 37.6 Ų | 37.6 | 73% | 0.733 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -93.2 | -25.3 | 177.4 | -63.9 | -35.3 | 0 | 0 | 0 | 112.6 | T117 W118 | T117-N120 PolarHBondContact O-N 3.28Å; W118-N120 PolarHBondContact O-N 3.29Å |
| 121 | R | 78.8 | Confident | 83.2 | Confident | 154 Ų | 154 | 36.6 Ų | 36.6 | 58% | 0.581 | 19% | 0.186 | S | C | * | . | trans | -130 | 77.6 | 176 | -67.2 | -171.4 | 75.6 | 167.4 | 5.3 | 111.4 | T117 W118 C123 L124 | T117-R121 PolarHBondContact O-N 2.81Å; T117-R121 VanDerWaalsContact O-N 3.09Å; W118-R121 CarbonylContact O-C 3.58Å; W118-R121 PolarHBondContact O-N 2.97Å; R121-C123 PolarHBondContact O-N 3.15Å; R121-L124 HydrophobicContact CB-CD1 3.77Å; R121-L124 HydrophobicContact CB-CG 3.85Å; R121-L124 WeakPolarHBondContact O-CB 3.12Å; R121-L124 WeakPolarHBondContact O-CG 3.37Å; R121-L124 PolarHBondContact O-N 2.89Å | ||
| 122 | P | 75.3 | Confident | 83.6 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -41.2 | -36.9 | 174.5 | -43.2 | 44.9 | 0 | 0 | 0 | 116.4 | W118 L124 L125 M189 H191 | W118-P122 WeakPolarHBondContact O-CA 3.25Å; W118-P122 WeakPolarHBondContact O-CD 3.37Å; P122-L124 PolarHBondContact O-N 3.21Å; P122-L125 PolarHBondContact O-N 3.02Å; P122-M189 HydrophobicContact CG-CE 3.94Å; P122-M189 HydrophobicContact CG-SD 3.87Å; P122-H191 WeakPolarHBondContact CB-CE1 3.43Å |
| 123 | C | 78.7 | Confident | 84.1 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -65.1 | -17.9 | -177.3 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | V81 R121 L125 Y126 | V81-C123 HydrophobicContact CG2-CB 3.91Å; R121-C123 PolarHBondContact O-N 3.15Å; C123-L125 PolarHBondContact O-N 3.19Å; C123-Y126 PolarHBondContact O-N 2.79Å |
| 124 | L | 84.7 | Confident | 84.6 | Confident | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -68 | -19.6 | 177.3 | -62.3 | 179.4 | 0 | 0 | 0 | 113.3 | T117 R121 P122 Y126 R127 | T117-L124 HydrophobicContact CG2-CD1 3.79Å; R121-L124 HydrophobicContact CB-CD1 3.77Å; R121-L124 HydrophobicContact CB-CG 3.85Å; R121-L124 WeakPolarHBondContact O-CB 3.12Å; R121-L124 WeakPolarHBondContact O-CG 3.37Å; R121-L124 PolarHBondContact O-N 2.89Å; P122-L124 PolarHBondContact O-N 3.21Å; L124-Y126 VanDerWaalsContact C-N 3.25Å; L124-R127 WeakPolarHBondContact O-CG 3.4Å; L124-R127 PolarHBondContact O-NH1 3.43Å |
| 125 | L | 83.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -73 | -20.6 | 171.9 | -64.5 | -175.9 | 0 | 0 | 0 | 112.6 | I109 I113 W118 P122 C123 N242 L243 A246 | I109-L125 HydrophobicContact CG2-CD2 4.21Å; I113-L125 HydrophobicContact CD1-CD2 3.88Å; I113-L125 HydrophobicContact CG1-CD2 3.59Å; W118-L125 HydrophobicContact CB-CD2 3.91Å; W118-L125 HydrophobicContact CB-CG 4.08Å; W118-L125 HydrophobicContact CD2-CD1 4.14Å; W118-L125 HydrophobicContact CD2-CD2 4.27Å; W118-L125 HydrophobicContact CD2-CG 4.4Å; W118-L125 HydrophobicContact CE3-CD1 3.54Å; W118-L125 HydrophobicContact CE3-CD2 4.48Å; W118-L125 HydrophobicContact CE3-CG 4.14Å; W118-L125 HydrophobicContact CG-CD2 4.07Å; W118-L125 HydrophobicContact CG-CG 4.43Å; W118-L125 HydrophobicContact CZ3-CD1 3.97Å; P122-L125 PolarHBondContact O-N 3.02Å; C123-L125 PolarHBondContact O-N 3.19Å; L125-N242 HydrophobicContact CB-CB 4.42Å; L125-N242 PolarHBondContact O-ND2 2.92Å; L125-L243 HydrophobicContact CD1-CD1 4.07Å; L125-A246 HydrophobicContact CD1-CB 4.1Å; L125-A246 HydrophobicContact CD2-CB 4.04Å |
| 126 | Y | 84.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -110.4 | 50.4 | -171.6 | -46.3 | -47 | 0 | 0 | 0 | 110.8 | A80 V81 C123 L124 N190 H191 P239 | A80-Y126 WeakPolarHBondContact CB-O 3.27Å; V81-Y126 PolarHBondContact N-O 3.48Å; C123-Y126 PolarHBondContact O-N 2.79Å; L124-Y126 VanDerWaalsContact C-N 3.25Å; Y126-N190 HydrophobicContact CD2-CB 4.43Å; Y126-N190 VanDerWaalsContact CD2-ND2 3.32Å; Y126-N190 WeakPolarHBondContact CD2-ND2 3.45Å; Y126-N190 HydrophobicContact CE2-CB 3.69Å; Y126-N190 WeakPolarHBondContact CE2-ND2 3.05Å; Y126-H191 AromaticContact CE2-CE1 3.98Å; Y126-H191 AromaticContact CE2-ND1 3.86Å; Y126-H191 AromaticContact CZ-CE1 3.94Å; Y126-H191 AromaticContact CZ-ND1 3.81Å; Y126-H191 PolarHBondContact OH-CE1 3.15Å; Y126-H191 VanDerWaalsContact OH-CE1 3.31Å; Y126-H191 PolarHBondContact OH-ND1 3.47Å; Y126-P239 HydrophobicContact CD1-CB 3.69Å; Y126-P239 HydrophobicContact CD1-CG 4.23Å; Y126-P239 HydrophobicContact CE1-CB 3.38Å; Y126-P239 HydrophobicContact CE1-CG 4.38Å; Y126-P239 WeakPolarHBondContact CE1-O 3.46Å; Y126-P239 HydrophobicContact CG-CB 4.47Å |
| 127 | R | 88.1 | Confident | 85.1 | Confident | 35 Ų | 35 | 32.3 Ų | 32.3 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | trans | -74.4 | 145.1 | 177.9 | -70.8 | 176.1 | 173 | 108.7 | -16.3 | 112.4 | V81 I109 D112 L124 P148 | V81-R127 CarbonylContact O-C 3.49Å; V81-R127 WeakPolarHBondContact O-CA 3.33Å; I109-R127 HydrophobicContact CD1-CB 4.14Å; I109-R127 HydrophobicContact CG1-CB 4.29Å; I109-R127 HydrophobicContact CG1-CG 4.35Å; D112-R127 IonicContact OD2-CZ 2.63Å; D112-R127 IonicContact OD2-NH1 2.87Å; D112-R127 PolarHBondContact OD2-NH1 3.17Å; D112-R127 IonicContact OD2-NH2 2.84Å; D112-R127 PolarHBondContact OD2-NH2 2.78Å; L124-R127 WeakPolarHBondContact O-CG 3.4Å; L124-R127 PolarHBondContact O-NH1 3.43Å; R127-P148 HydrophobicContact CB-CG 4.05Å; R127-P148 VanDerWaalsContact O-CD 3.27Å; R127-P148 WeakPolarHBondContact O-CD 3.43Å | ||
| 128 | F | 90.7 | Very high | 84.9 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 164.2 | 168.8 | 74.7 | -83.3 | 0 | 0 | 0 | 111.5 | L44 L60 I62 A80 V81 G82 K83 V145 G146 | L44-F128 HydrophobicContact CB-CZ 4.44Å; L44-F128 HydrophobicContact CD2-CE2 3.58Å; L44-F128 HydrophobicContact CD2-CZ 3.76Å; L44-F128 HydrophobicContact CG-CE2 4.31Å; L44-F128 HydrophobicContact CG-CZ 3.98Å; L60-F128 HydrophobicContact CD2-CB 4.01Å; L60-F128 HydrophobicContact CD2-CD1 3.77Å; L60-F128 HydrophobicContact CD2-CD2 3.71Å; L60-F128 HydrophobicContact CD2-CE1 4.1Å; L60-F128 HydrophobicContact CD2-CE2 4.05Å; L60-F128 HydrophobicContact CD2-CG 3.55Å; L60-F128 HydrophobicContact CD2-CZ 4.24Å; I62-F128 HydrophobicContact CD1-CD2 4.39Å; I62-F128 HydrophobicContact CD1-CE2 3.51Å; I62-F128 HydrophobicContact CD1-CZ 4.01Å; I62-F128 HydrophobicContact CG1-CE2 4.24Å; I62-F128 HydrophobicContact CG1-CZ 4.24Å; A80-F128 HydrophobicContact CB-CD1 4.14Å; A80-F128 HydrophobicContact CB-CE1 4.35Å; A80-F128 WeakPolarHBondContact O-CE1 3.43Å; V81-F128 PolarHBondContact O-N 3.5Å; G82-F128 WeakPolarHBondContact CA-O 3.48Å; K83-F128 PolarHBondContact N-O 2.85Å; K83-F128 VanDerWaalsContact N-O 3.12Å; F128-V145 HydrophobicContact CD2-CG1 4.18Å; F128-G146 CarbonylContact C-O 3.56Å; F128-G146 WeakPolarHBondContact CA-O 3.36Å |
| 129 | Q | 91.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.1 | 178 | -62.8 | -171.1 | -41.3 | 0 | 0 | 109.5 | K83 F85 L102 A105 F131 V145 G146 | K83-Q129 WeakPolarHBondContact O-CA 3.22Å; F85-Q129 HydrophobicContact CE2-CB 4.21Å; F85-Q129 HydrophobicContact CE2-CG 4.1Å; L102-Q129 HydrophobicContact CD2-CB 4.41Å; L102-Q129 HydrophobicContact CD2-CG 4.46Å; A105-Q129 HydrophobicContact CB-CG 4.43Å; A105-Q129 VanDerWaalsContact CB-NE2 3.33Å; Q129-F131 HydrophobicContact CB-CD2 4.35Å; Q129-F131 HydrophobicContact CB-CE2 3.6Å; Q129-F131 HydrophobicContact CB-CZ 3.77Å; Q129-F131 HydrophobicContact CG-CZ 4.46Å; Q129-F131 VanDerWaalsContact OE1-CZ 3.23Å; Q129-V145 CarbonylContact O-C 3.02Å; Q129-V145 WeakPolarHBondContact O-CA 3.14Å; Q129-G146 PolarHBondContact N-O 3.4Å; Q129-G146 PolarHBondContact O-N 3.12Å |
| 130 | L | 93.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 111.9 | 172.7 | 171.7 | 57 | 0 | 0 | 0 | 108.4 | I19 F23 L44 I62 K83 L84 F85 F143 V145 | I19-L130 HydrophobicContact CD1-CD1 3.8Å; I19-L130 HydrophobicContact CD1-CD2 4.01Å; F23-L130 HydrophobicContact CE1-CD2 3.73Å; F23-L130 HydrophobicContact CZ-CD2 3.63Å; L44-L130 HydrophobicContact CD2-CB 3.98Å; L44-L130 HydrophobicContact CD2-CD2 3.89Å; I62-L130 HydrophobicContact CD1-CD2 4.39Å; K83-L130 PolarHBondContact O-N 2.87Å; L84-L130 CarbonylContact C-O 3.52Å; L84-L130 WeakPolarHBondContact CA-O 3.34Å; L84-L130 HydrophobicContact CD1-CB 4.21Å; L84-L130 HydrophobicContact CD1-CD2 3.82Å; L84-L130 HydrophobicContact CD1-CG 3.72Å; F85-L130 PolarHBondContact N-O 3.34Å; L130-F143 HydrophobicContact CD1-CB 3.99Å; L130-F143 HydrophobicContact CD1-CD2 4.07Å; L130-F143 HydrophobicContact CD1-CG 4.4Å; L130-V145 HydrophobicContact CD1-CG2 3.74Å |
| 131 | F | 93.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.4 | 173.6 | -57.5 | -83.2 | 0 | 0 | 0 | 108.3 | F85 F87 F93 F96 L98 H101 L102 Q129 F143 I144 | F85-F131 HydrophobicContact CB-CD1 3.61Å; F85-F131 HydrophobicContact CB-CE1 4.12Å; F85-F131 HydrophobicContact CB-CG 4.48Å; F85-F131 HydrophobicContact CD1-CE1 4.22Å; F85-F131 AromaticContact CD2-CD1 3.8Å; F85-F131 HydrophobicContact CD2-CD1 3.8Å; F85-F131 AromaticContact CD2-CE1 3.53Å; F85-F131 HydrophobicContact CD2-CE1 3.53Å; F85-F131 HydrophobicContact CD2-CZ 4.23Å; F85-F131 AromaticContact CE2-CE1 3.92Å; F85-F131 HydrophobicContact CE2-CE1 3.92Å; F85-F131 HydrophobicContact CE2-CZ 4.34Å; F85-F131 AromaticContact CG-CD1 3.74Å; F85-F131 HydrophobicContact CG-CD1 3.74Å; F85-F131 AromaticContact CG-CE1 3.7Å; F85-F131 HydrophobicContact CG-CE1 3.7Å; F85-F131 HydrophobicContact CZ-CE1 4.42Å; F87-F131 HydrophobicContact CE2-CB 4.13Å; F87-F131 HydrophobicContact CE2-CD1 4.15Å; F87-F131 HydrophobicContact CZ-CD1 4.25Å; F93-F131 HydrophobicContact CE2-CB 3.92Å; F93-F131 WeakPolarHBondContact CE2-O 3.43Å; F96-F131 HydrophobicContact CD1-CD1 4.17Å; F96-F131 HydrophobicContact CD1-CE1 4.23Å; F96-F131 AromaticContact CE1-CD1 3.8Å; F96-F131 HydrophobicContact CE1-CD1 3.8Å; F96-F131 AromaticContact CE1-CE1 3.5Å; F96-F131 HydrophobicContact CE1-CE1 3.5Å; F96-F131 VanDerWaalsContact CE1-CE1 3.5Å; F96-F131 HydrophobicContact CE1-CZ 4.43Å; F96-F131 HydrophobicContact CZ-CE1 4.34Å; L98-F131 HydrophobicContact CD2-CB 3.9Å; L98-F131 HydrophobicContact CD2-CD1 3.82Å; L98-F131 HydrophobicContact CD2-CD2 3.44Å; L98-F131 VanDerWaalsContact CD2-CD2 3.44Å; L98-F131 HydrophobicContact CD2-CE1 4.19Å; L98-F131 HydrophobicContact CD2-CE2 3.81Å; L98-F131 HydrophobicContact CD2-CG 3.42Å; L98-F131 VanDerWaalsContact CD2-CG 3.42Å; L98-F131 HydrophobicContact CD2-CZ 4.15Å; H101-F131 HydrophobicContact CB-CE1 4.33Å; H101-F131 HydrophobicContact CB-CZ 4.15Å; L102-F131 HydrophobicContact CD2-CE2 4.49Å; Q129-F131 HydrophobicContact CB-CD2 4.35Å; Q129-F131 HydrophobicContact CB-CE2 3.6Å; Q129-F131 HydrophobicContact CB-CZ 3.77Å; Q129-F131 HydrophobicContact CG-CZ 4.46Å; Q129-F131 VanDerWaalsContact OE1-CZ 3.23Å; F131-F143 CarbonylContact O-C 3.59Å; F131-F143 WeakPolarHBondContact O-CA 3.35Å; F131-F143 WeakPolarHBondContact O-CB 3.43Å; F131-I144 PolarHBondContact N-O 3.46Å; F131-I144 PolarHBondContact O-N 3.07Å |
| 132 | A | 94.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 144 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | W24 L84 F85 L86 F87 H142 F143 | W24-A132 HydrophobicContact CH2-CB 3.99Å; W24-A132 HydrophobicContact CZ3-CB 3.98Å; L84-A132 HydrophobicContact CD1-CB 4.46Å; F85-A132 PolarHBondContact O-N 2.81Å; L86-A132 WeakPolarHBondContact CA-O 3.5Å; L86-A132 HydrophobicContact CD2-CB 4.04Å; F87-A132 WeakPolarHBondContact CD2-O 3.47Å; F87-A132 PolarHBondContact N-O 3.26Å; A132-H142 CarbonylContact C-O 3.54Å; A132-H142 VanDerWaalsContact CA-O 3.22Å; A132-H142 WeakPolarHBondContact CA-O 3.37Å; A132-F143 HydrophobicContact CB-CB 3.85Å |
| 133 | H | 94.4 | Very high | 88.2 | Confident | 18 Ų | 18 | 23.8 Ų | 23.8 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.5 | 163.4 | 165.5 | -96 | 0 | 0 | 0 | 108.6 | F87 L90 F93 H142 | F87-H133 HydrophobicContact CB-CB 4.47Å; F87-H133 PolarHBondContact O-CD2 3.02Å; F87-H133 VanDerWaalsContact O-CD2 3.31Å; L90-H133 PolarHBondContact N-CD2 3.36Å; L90-H133 VanDerWaalsContact N-CD2 3.29Å; L90-H133 PolarHBondContact N-NE2 3.07Å; F93-H133 HydrophobicContact CB-CB 3.89Å; F93-H133 HydrophobicContact CD1-CB 4.48Å; F93-H133 HydrophobicContact CG-CB 4.06Å; H133-H142 HydrophobicContact CB-CB 4.42Å; H133-H142 PolarHBondContact N-O 2.72Å; H133-H142 AromaticContact ND1-ND1 3.83Å; H133-H142 PolarHBondContact O-N 2.73Å |
| 134 | I | 92.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.062 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.4 | 176.7 | -56.3 | -176.7 | 0 | 0 | 0 | 107.9 | W24 A27 T28 L86 P136 Y141 | W24-I134 HydrophobicContact CZ3-CG1 4.49Å; A27-I134 HydrophobicContact CB-CD1 3.93Å; T28-I134 HydrophobicContact CG2-CG2 4.37Å; L86-I134 HydrophobicContact CD2-CD1 3.72Å; L86-I134 HydrophobicContact CD2-CG1 3.91Å; I134-P136 WeakPolarHBondContact O-CD 3.25Å; I134-Y141 HydrophobicContact CB-CD1 4.26Å; I134-Y141 HydrophobicContact CB-CE1 4.47Å; I134-Y141 HydrophobicContact CG1-CD1 3.99Å; I134-Y141 HydrophobicContact CG1-CE1 4.39Å; I134-Y141 HydrophobicContact CG2-CD1 3.85Å; I134-Y141 HydrophobicContact CG2-CE1 3.6Å |
| 135 | D | 88.7 | Confident | 89.1 | Confident | 33 Ų | 33 | 22.6 Ų | 22.6 | 18% | 0.176 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 93 | 165.6 | -175.3 | -20.6 | 0 | 0 | 0 | 108.5 | K137 K138 Y139 V140 | D135-K137 PolarHBondContact O-N 3.45Å; D135-K137 WeakPolarHBondContact OD1-CB 3.49Å; D135-K137 PolarHBondContact OD1-N 3.09Å; D135-K138 PolarHBondContact O-N 3.3Å; D135-K138 PolarHBondContact OD1-N 3.08Å; D135-K138 WeakPolarHBondContact OD2-CD 3.18Å; D135-K138 WeakPolarHBondContact OD2-CG 3.2Å; D135-Y139 WeakPolarHBondContact O-CA 3.35Å; D135-Y139 PolarHBondContact O-N 3.35Å; D135-V140 HydrophobicContact CB-CB 4.24Å; D135-V140 WeakPolarHBondContact CB-O 3.34Å; D135-V140 PolarHBondContact N-O 3.35Å; D135-V140 PolarHBondContact O-N 3.47Å |
| 136 | P | 83.2 | Confident | 89.4 | Confident | 34 Ų | 34 | 22.6 Ų | 22.6 | 22% | 0.221 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.7 | -177.7 | 28.8 | -36.7 | 0 | 0 | 0 | 112.8 | T28 V32 I134 L306 | T28-P136 HydrophobicContact CG2-CB 4.03Å; V32-P136 HydrophobicContact CG2-CB 3.95Å; I134-P136 WeakPolarHBondContact O-CD 3.25Å; P136-L306 HydrophobicContact CB-CD2 4.07Å; P136-L306 HydrophobicContact CG-CD2 4Å |
| 137 | K | 78 | Confident | 89.5 | Confident | 104 Ų | 104 | 22.7 Ų | 22.7 | 45% | 0.452 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -40.8 | 176.7 | -71.6 | -177.8 | 172 | -169.7 | 0 | 111.1 | D135 L306 N307 | D135-K137 PolarHBondContact O-N 3.45Å; D135-K137 WeakPolarHBondContact OD1-CB 3.49Å; D135-K137 PolarHBondContact OD1-N 3.09Å; K137-L306 HydrophobicContact CB-CD2 4.41Å; K137-L306 HydrophobicContact CG-CD2 3.46Å; K137-L306 VanDerWaalsContact CG-CD2 3.46Å; K137-L306 HydrophobicContact CG-CG 4.45Å; K137-N307 VanDerWaalsContact CE-OD1 3.29Å; K137-N307 WeakPolarHBondContact CE-OD1 3.33Å; K137-N307 PolarHBondContact NZ-OD1 3.07Å |
| 138 | K | 80.3 | Confident | 89.3 | Confident | 131 Ų | 131 | 21 Ų | 21 | 57% | 0.57 | 10% | 0.098 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -4 | -176.8 | -60.3 | -176.4 | -173.9 | 168.2 | 0 | 113.5 | D135 V140 S291 | D135-K138 PolarHBondContact O-N 3.3Å; D135-K138 PolarHBondContact OD1-N 3.08Å; D135-K138 WeakPolarHBondContact OD2-CD 3.18Å; D135-K138 WeakPolarHBondContact OD2-CG 3.2Å; K138-V140 HydrophobicContact CB-CB 4.26Å; K138-V140 HydrophobicContact CB-CG2 3.73Å; K138-V140 PolarHBondContact O-N 3.19Å; K138-S291 VanDerWaalsContact O-CB 3.26Å; K138-S291 WeakPolarHBondContact O-CB 3.37Å |
| 139 | Y | 85.1 | Confident | 88.6 | Confident | 32 Ų | 32 | 21 Ų | 21 | 13% | 0.125 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 44 | -169.8 | -65.3 | -97.3 | 0 | 0 | 0 | 111.2 | T28 D135 Y141 L290 L294 L299 N302 | T28-Y139 HydrophobicContact CG2-CE1 4.32Å; D135-Y139 WeakPolarHBondContact O-CA 3.35Å; D135-Y139 PolarHBondContact O-N 3.35Å; Y139-Y141 VanDerWaalsContact O-CE2 3.24Å; Y139-Y141 WeakPolarHBondContact O-CE2 3.23Å; Y139-L290 PolarHBondContact O-N 2.93Å; Y139-L294 HydrophobicContact CD1-CD1 3.58Å; Y139-L294 HydrophobicContact CD2-CD1 3.69Å; Y139-L294 HydrophobicContact CE1-CD1 3.76Å; Y139-L294 HydrophobicContact CE2-CD1 3.89Å; Y139-L294 HydrophobicContact CG-CD1 3.53Å; Y139-L299 HydrophobicContact CD2-CD2 3.59Å; Y139-L299 HydrophobicContact CE2-CD2 3.27Å; Y139-N302 PolarHBondContact OH-ND2 3.44Å |
| 140 | V | 89.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.036 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129 | 178.9 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | D135 K138 R287 L288 N289 | D135-V140 HydrophobicContact CB-CB 4.24Å; D135-V140 WeakPolarHBondContact CB-O 3.34Å; D135-V140 PolarHBondContact N-O 3.35Å; D135-V140 PolarHBondContact O-N 3.47Å; K138-V140 HydrophobicContact CB-CB 4.26Å; K138-V140 HydrophobicContact CB-CG2 3.73Å; K138-V140 PolarHBondContact O-N 3.19Å; V140-R287 HydrophobicContact CG1-CG 3.99Å; V140-L288 CarbonylContact C-O 3.55Å; V140-L288 VanDerWaalsContact CA-O 3.31Å; V140-L288 WeakPolarHBondContact CA-O 3.45Å; V140-N289 HydrophobicContact CG2-CB 4.14Å |
| 141 | Y | 92.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.2 | -174.3 | -48 | -87.5 | 0 | 0 | 0 | 109 | W24 T28 I134 Y139 R287 L288 L290 | W24-Y141 HydrophobicContact CB-CD1 4.18Å; W24-Y141 HydrophobicContact CB-CD2 4.35Å; W24-Y141 HydrophobicContact CB-CE1 3.89Å; W24-Y141 HydrophobicContact CB-CE2 4.11Å; W24-Y141 HydrophobicContact CB-CG 4.39Å; W24-Y141 AromaticContact CD2-CD1 3.85Å; W24-Y141 HydrophobicContact CD2-CD1 3.85Å; W24-Y141 HydrophobicContact CD2-CD2 4.46Å; W24-Y141 HydrophobicContact CD2-CE1 4.43Å; W24-Y141 AromaticContact CD2-CG 3.86Å; W24-Y141 HydrophobicContact CD2-CG 3.86Å; W24-Y141 AromaticContact CE3-CD1 3.29Å; W24-Y141 HydrophobicContact CE3-CD1 3.29Å; W24-Y141 AromaticContact CE3-CE1 3.98Å; W24-Y141 HydrophobicContact CE3-CE1 3.98Å; W24-Y141 AromaticContact CE3-CG 3.69Å; W24-Y141 HydrophobicContact CE3-CG 3.69Å; W24-Y141 HydrophobicContact CG-CD1 4.25Å; W24-Y141 HydrophobicContact CG-CD2 4.35Å; W24-Y141 HydrophobicContact CG-CE1 4.45Å; W24-Y141 HydrophobicContact CG-CG 4.19Å; W24-Y141 AromaticContact CZ3-CD1 3.98Å; W24-Y141 HydrophobicContact CZ3-CD1 3.98Å; W24-Y141 HydrophobicContact CZ3-CG 4.3Å; T28-Y141 WeakPolarHBondContact OG1-CE1 3.38Å; T28-Y141 PolarHBondContact OG1-OH 3.39Å; I134-Y141 HydrophobicContact CB-CD1 4.26Å; I134-Y141 HydrophobicContact CB-CE1 4.47Å; I134-Y141 HydrophobicContact CG1-CD1 3.99Å; I134-Y141 HydrophobicContact CG1-CE1 4.39Å; I134-Y141 HydrophobicContact CG2-CD1 3.85Å; I134-Y141 HydrophobicContact CG2-CE1 3.6Å; Y139-Y141 VanDerWaalsContact O-CE2 3.24Å; Y139-Y141 WeakPolarHBondContact O-CE2 3.23Å; Y141-R287 CarbonylContact O-C 3.41Å; Y141-R287 VanDerWaalsContact O-CA 3.28Å; Y141-R287 WeakPolarHBondContact O-CA 3.44Å; Y141-L288 HydrophobicContact CD2-CB 4.16Å; Y141-L288 HydrophobicContact CD2-CD2 4.02Å; Y141-L288 HydrophobicContact CD2-CG 4.13Å; Y141-L288 PolarHBondContact N-O 2.86Å; Y141-L288 PolarHBondContact O-N 3.13Å; Y141-L290 HydrophobicContact CD2-CD1 4.4Å; Y141-L290 HydrophobicContact CD2-CG 4.35Å; Y141-L290 HydrophobicContact CE2-CB 4.13Å; Y141-L290 HydrophobicContact CE2-CD1 3.54Å; Y141-L290 HydrophobicContact CE2-CG 3.71Å |
| 142 | H | 92.9 | Very high | 85 | Confident | 23 Ų | 23 | 28.3 Ų | 28.3 | 11% | 0.106 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.4 | 171.7 | -63.3 | 80.2 | 0 | 0 | 0 | 108.1 | L90 F93 A132 H133 V285 Q286 | L90-H142 HydrophobicContact CD1-CB 4Å; F93-H142 HydrophobicContact CD1-CB 4.37Å; F93-H142 HydrophobicContact CE1-CB 4.05Å; A132-H142 CarbonylContact C-O 3.54Å; A132-H142 VanDerWaalsContact CA-O 3.22Å; A132-H142 WeakPolarHBondContact CA-O 3.37Å; H133-H142 HydrophobicContact CB-CB 4.42Å; H133-H142 PolarHBondContact N-O 2.72Å; H133-H142 AromaticContact ND1-ND1 3.83Å; H133-H142 PolarHBondContact O-N 2.73Å; H142-V285 HydrophobicContact CB-CG1 3.88Å; H142-Q286 CarbonylContact C-O 3.58Å; H142-Q286 VanDerWaalsContact CA-O 3.31Å; H142-Q286 WeakPolarHBondContact CA-O 3.42Å |
| 143 | F | 92.9 | Very high | 83.4 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 159.2 | -175.4 | 68.2 | -85.1 | 0 | 0 | 0 | 114.3 | I19 W24 L130 F131 A132 Q286 L288 | I19-F143 HydrophobicContact CD1-CD2 3.8Å; I19-F143 HydrophobicContact CD1-CE2 3.67Å; I19-F143 HydrophobicContact CD1-CZ 4.36Å; W24-F143 HydrophobicContact CH2-CB 3.69Å; W24-F143 AromaticContact CH2-CD1 3.65Å; W24-F143 HydrophobicContact CH2-CD1 3.65Å; W24-F143 HydrophobicContact CH2-CD2 4.41Å; W24-F143 HydrophobicContact CH2-CE1 4.39Å; W24-F143 AromaticContact CH2-CG 3.66Å; W24-F143 HydrophobicContact CH2-CG 3.66Å; W24-F143 HydrophobicContact CZ2-CB 4.18Å; W24-F143 AromaticContact CZ2-CD1 3.35Å; W24-F143 HydrophobicContact CZ2-CD1 3.35Å; W24-F143 HydrophobicContact CZ2-CD2 4.1Å; W24-F143 AromaticContact CZ2-CE1 3.64Å; W24-F143 HydrophobicContact CZ2-CE1 3.64Å; W24-F143 HydrophobicContact CZ2-CE2 4.34Å; W24-F143 AromaticContact CZ2-CG 3.61Å; W24-F143 HydrophobicContact CZ2-CG 3.61Å; W24-F143 HydrophobicContact CZ2-CZ 4.12Å; L130-F143 HydrophobicContact CD1-CB 3.99Å; L130-F143 HydrophobicContact CD1-CD2 4.07Å; L130-F143 HydrophobicContact CD1-CG 4.4Å; F131-F143 CarbonylContact O-C 3.59Å; F131-F143 WeakPolarHBondContact O-CA 3.35Å; F131-F143 WeakPolarHBondContact O-CB 3.43Å; A132-F143 HydrophobicContact CB-CB 3.85Å; F143-Q286 HydrophobicContact CD1-CB 4.2Å; F143-Q286 HydrophobicContact CD2-CB 4.26Å; F143-Q286 HydrophobicContact CE1-CB 3.79Å; F143-Q286 HydrophobicContact CE2-CB 3.85Å; F143-Q286 HydrophobicContact CE2-CG 4.28Å; F143-Q286 HydrophobicContact CG-CB 4.42Å; F143-Q286 HydrophobicContact CZ-CB 3.61Å; F143-Q286 HydrophobicContact CZ-CG 4.35Å; F143-Q286 PolarHBondContact N-O 2.84Å; F143-Q286 PolarHBondContact O-N 3.23Å; F143-L288 HydrophobicContact CE1-CB 4.4Å |
| 144 | I | 91 | Very high | 81.9 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 135.4 | 173.3 | -75.9 | -177.6 | 0 | 0 | 0 | 108 | F93 L98 F131 L275 V285 | F93-I144 HydrophobicContact CZ-CG1 4.32Å; L98-I144 HydrophobicContact CD1-CD1 3.8Å; L98-I144 HydrophobicContact CD1-CG2 4.48Å; F131-I144 PolarHBondContact N-O 3.46Å; F131-I144 PolarHBondContact O-N 3.07Å; I144-L275 HydrophobicContact CG2-CD2 3.54Å; I144-V285 HydrophobicContact CD1-CB 4.29Å; I144-V285 HydrophobicContact CD1-CG2 3.58Å; I144-V285 HydrophobicContact CG1-CB 4.35Å; I144-V285 HydrophobicContact CG1-CG2 4.08Å |
| 145 | V | 90.6 | Very high | 80.5 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134 | 169.9 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | S17 I19 F128 Q129 L130 E276 | S17-V145 WeakPolarHBondContact OG-CB 3.47Å; S17-V145 VanDerWaalsContact OG-CG1 3.26Å; S17-V145 WeakPolarHBondContact OG-CG1 3.35Å; S17-V145 WeakPolarHBondContact OG-CG2 3.18Å; I19-V145 HydrophobicContact CD1-CG2 4.21Å; F128-V145 HydrophobicContact CD2-CG1 4.18Å; Q129-V145 CarbonylContact O-C 3.02Å; Q129-V145 WeakPolarHBondContact O-CA 3.14Å; L130-V145 HydrophobicContact CD1-CG2 3.74Å; V145-E276 WeakPolarHBondContact O-CB 3.46Å; V145-E276 PolarHBondContact O-N 3.3Å; V145-E276 VanDerWaalsContact O-N 3.09Å |
| 146 | G | 88.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F128 Q129 | F128-G146 CarbonylContact C-O 3.56Å; F128-G146 WeakPolarHBondContact CA-O 3.36Å; Q129-G146 PolarHBondContact N-O 3.4Å; Q129-G146 PolarHBondContact O-N 3.12Å |
| 147 | H | 86.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.7 | 177.1 | -55.1 | -77.2 | 0 | 0 | 0 | 108.3 | V149 W238 G274 | H147-V149 PolarHBondContact O-N 2.93Å; H147-W238 HydrophobicContact CB-CD2 4.28Å; H147-W238 HydrophobicContact CB-CH2 4.08Å; H147-W238 HydrophobicContact CB-CZ2 3.49Å; H147-W238 VanDerWaalsContact CB-CZ2 3.49Å; H147-W238 WeakPolarHBondContact O-CZ2 3.13Å; H147-G274 PolarHBondContact N-O 3.44Å; H147-G274 WeakPolarHBondContact O-CA 3.23Å; H147-G274 PolarHBondContact O-N 3.05Å |
| 148 | P | 84 | Confident | 78.2 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 129.2 | 177.8 | 15.9 | -30.7 | 0 | 0 | 0 | 114.8 | A105 A106 I109 R127 | A105-P148 HydrophobicContact CB-CB 3.91Å; A105-P148 HydrophobicContact CB-CG 3.93Å; A106-P148 HydrophobicContact CB-CB 3.79Å; I109-P148 HydrophobicContact CD1-CB 3.91Å; I109-P148 HydrophobicContact CD1-CG 3.74Å; R127-P148 HydrophobicContact CB-CG 4.05Å; R127-P148 VanDerWaalsContact O-CD 3.27Å; R127-P148 WeakPolarHBondContact O-CD 3.43Å |
| 149 | V | 76.3 | Confident | 77.6 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | trans | -84.6 | 103.6 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 119.5 | H147 W238 R241 F271 L272 | H147-V149 PolarHBondContact O-N 2.93Å; V149-W238 HydrophobicContact CB-CH2 3.73Å; V149-W238 HydrophobicContact CB-CZ2 3.38Å; V149-W238 HydrophobicContact CG1-CZ2 4.39Å; V149-W238 HydrophobicContact CG2-CH2 3.06Å; V149-W238 HydrophobicContact CG2-CZ2 3.24Å; V149-W238 HydrophobicContact CG2-CZ3 4.11Å; V149-R241 VanDerWaalsContact CG1-NE 3.31Å; V149-F271 WeakPolarHBondContact O-CD1 3.5Å; V149-L272 VanDerWaalsContact CG2-O 3.31Å; V149-L272 WeakPolarHBondContact CG2-O 3.5Å | ||
| 150 | V | 73.9 | Confident | 76.9 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -92 | 118 | 160.1 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | I109 W110 A245 | I109-V150 HydrophobicContact CB-CG2 4.03Å; I109-V150 HydrophobicContact CG2-CG2 3.71Å; W110-V150 HydrophobicContact CE3-CG1 3.62Å; W110-V150 HydrophobicContact CZ3-CG1 3.99Å; V150-A245 HydrophobicContact CB-CB 4.25Å; V150-A245 HydrophobicContact CG1-CB 3.92Å |
| 151 | Q | 66.9 | Low | 75.8 | Confident | 59 Ų | 59 | 48.3 Ų | 48.3 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 126.9 | -177.7 | -168.5 | 173.1 | -2.2 | 0 | 0 | 111.9 | R270 | Q151-R270 HydrophobicContact CB-CB 4.48Å; Q151-R270 WeakPolarHBondContact CB-O 3.46Å |
| 152 | Y | 63.9 | Low | 74.8 | Confident | 96 Ų | 96 | 53 Ų | 53 | 38% | 0.376 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 132.5 | 167.7 | -167.2 | -117.9 | 0 | 0 | 0 | 109.8 | A154 M156 A248 | Y152-A154 HydrophobicContact CD1-CB 4.18Å; Y152-A154 WeakPolarHBondContact CD1-O 3.29Å; Y152-A154 HydrophobicContact CE1-CB 3.93Å; Y152-A154 PolarHBondContact O-N 3.32Å; Y152-M156 HydrophobicContact CD1-CG 4.01Å; Y152-M156 HydrophobicContact CG-CG 4.48Å; Y152-A248 HydrophobicContact CD2-CB 4.01Å; Y152-A248 HydrophobicContact CE2-CB 3.47Å; Y152-A248 VanDerWaalsContact CE2-CB 3.47Å |
| 153 | P | 59 | Low | 73.7 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 34% | 0.344 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -66.1 | -25.4 | -171.2 | 21.4 | -33.3 | 0 | 0 | 0 | 113.4 | M263 L268 | P153-M263 HydrophobicContact CB-CE 3.82Å; P153-M263 HydrophobicContact CG-CE 3.87Å; P153-L268 HydrophobicContact CG-CD2 3.72Å; P153-L268 HydrophobicContact CG-CG 4Å |
| 154 | A | 63.2 | Low | 72.7 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -99.6 | 147.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y152 M156 | Y152-A154 HydrophobicContact CD1-CB 4.18Å; Y152-A154 WeakPolarHBondContact CD1-O 3.29Å; Y152-A154 HydrophobicContact CE1-CB 3.93Å; Y152-A154 PolarHBondContact O-N 3.32Å; A154-M156 PolarHBondContact O-N 3.02Å |
| 155 | P | 64.6 | Low | 71.7 | Confident | 93 Ų | 93 | 68 Ų | 68 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 128.3 | 166.2 | 13.5 | -18.4 | 0 | 0 | 0 | 110.3 | L9 T157 | L9-P155 HydrophobicContact CD2-CB 3.35Å; L9-P155 HydrophobicContact CD2-CG 4.34Å; P155-T157 PolarHBondContact O-N 3.37Å |
| 156 | M | 66.1 | Low | 70.7 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 130.2 | 176.1 | -65.9 | -176.3 | -64 | 0 | 0 | 109.8 | V10 V12 Y152 A154 R241 M244 | V10-M156 HydrophobicContact CB-CB 4.07Å; V10-M156 HydrophobicContact CB-CE 4.45Å; V10-M156 HydrophobicContact CG1-CE 4.39Å; V10-M156 HydrophobicContact CG2-CB 3.92Å; V10-M156 PolarHBondContact N-O 2.78Å; V10-M156 VanDerWaalsContact N-O 3.07Å; V12-M156 HydrophobicContact CG2-CE 4.39Å; Y152-M156 HydrophobicContact CD1-CG 4.01Å; Y152-M156 HydrophobicContact CG-CG 4.48Å; A154-M156 PolarHBondContact O-N 3.02Å; M156-R241 HydrophobicContact CE-CG 4.32Å; M156-M244 HydrophobicContact SD-CB 4.24Å; M156-M244 HydrophobicContact SD-CE 3.66Å; M156-M244 HydrophobicContact SD-SD 3.73Å |
| 157 | T | 68.1 | Low | 70 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | B | Isolated β-bridge | trans | -115.4 | 137.3 | 176.1 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | N8 P155 A159 | N8-T157 HydrophobicContact CB-CG2 4.38Å; N8-T157 CarbonylContact O-C 3.56Å; N8-T157 WeakPolarHBondContact O-CA 3.44Å; P155-T157 PolarHBondContact O-N 3.37Å; T157-A159 PolarHBondContact O-N 2.68Å |
| 158 | I | 67.2 | Low | 69.3 | Low | 51 Ų | 51 | 82.1 Ų | 82.1 | 26% | 0.262 | 44% | 0.437 | S | S | . | . | trans | -72.5 | 116.4 | 173.8 | -61.1 | 179 | 0 | 0 | 0 | 108.5 | N8 V10 R160 I162 | N8-I158 PolarHBondContact O-N 2.8Å; V10-I158 HydrophobicContact CG2-CD1 4.3Å; V10-I158 HydrophobicContact CG2-CG1 3.53Å; I158-R160 WeakPolarHBondContact CG2-O 3.34Å; I158-I162 HydrophobicContact CD1-CD1 4.12Å; I158-I162 HydrophobicContact CD1-CG1 4.43Å | ||
| 159 | A | 67.4 | Low | 68.9 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 85% | 0.851 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -84.9 | -27.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | T157 | T157-A159 PolarHBondContact O-N 2.68Š|
| 160 | R | 69.2 | Low | 69.2 | Low | 207 Ų | 207 | 88 Ų | 88 | 78% | 0.781 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -139.5 | 145.3 | 175.6 | -65.5 | -177.2 | -177.6 | 179.4 | 1.2 | 108.5 | I158 I162 | I158-R160 WeakPolarHBondContact CG2-O 3.34Å; R160-I162 PolarHBondContact O-N 3.28Å |
| 161 | P | 68 | Low | 69.5 | Low | 107 Ų | 107 | 94.8 Ų | 94.8 | 70% | 0.695 | 50% | 0.498 | S | S | * | . | trans | -49.8 | 138.6 | 176 | -23 | 31.6 | 0 | 0 | 0 | 111 | Q163 | P161-Q163 PolarHBondContact O-N 3.33Š| ||
| 162 | I | 70.6 | Confident | 70.3 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | trans | -64.4 | 119.8 | 174.8 | -59.9 | 172.2 | 0 | 0 | 0 | 107.4 | I158 R160 | I158-I162 HydrophobicContact CD1-CD1 4.12Å; I158-I162 HydrophobicContact CD1-CG1 4.43Å; R160-I162 PolarHBondContact O-N 3.28Å | ||
| 163 | Q | 69.3 | Low | 71.2 | Confident | 118 Ų | 118 | 92 Ų | 92 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | trans | -106.8 | 153.6 | 179.9 | -72.8 | 176.4 | -24.1 | 0 | 0 | 110.1 | P161 | P161-Q163 PolarHBondContact O-N 3.33Š| ||
| 164 | R | 71.5 | Confident | 72.3 | Confident | 160 Ų | 160 | 90.9 Ų | 90.9 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | trans | -69.4 | 143.5 | 171.2 | -70.7 | -177.6 | 173.4 | -175.9 | -0.2 | 109.1 | G166 E167 | R164-G166 PolarHBondContact O-N 2.96Å; R164-G166 VanDerWaalsContact O-N 3.12Å; R164-E167 HydrophobicContact CB-CG 4.23Å; R164-E167 WeakPolarHBondContact O-CB 3.47Å; R164-E167 PolarHBondContact O-N 3.08Å | ||
| 165 | I | 70.5 | Confident | 73.3 | Confident | 87 Ų | 87 | 94.6 Ų | 94.6 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.5 | -33.5 | -178.8 | -162.8 | 164.1 | 0 | 0 | 0 | 112.7 | E167 F168 F169 M174 V177 | I165-E167 VanDerWaalsContact C-N 3.25Å; I165-E167 PolarHBondContact O-N 3Å; I165-F168 PolarHBondContact O-N 3.08Å; I165-F168 VanDerWaalsContact O-N 3.13Å; I165-F169 HydrophobicContact CD1-CD2 4.39Å; I165-F169 HydrophobicContact CD1-CE2 3.97Å; I165-F169 HydrophobicContact CG1-CD2 3.61Å; I165-F169 HydrophobicContact CG1-CE2 3.56Å; I165-F169 WeakPolarHBondContact O-CD2 3.33Å; I165-F169 PolarHBondContact O-N 3.07Å; I165-M174 HydrophobicContact CB-SD 4.38Å; I165-M174 HydrophobicContact CG1-SD 3.93Å; I165-M174 HydrophobicContact CG2-CE 4.35Å; I165-M174 HydrophobicContact CG2-SD 3.94Å; I165-V177 HydrophobicContact CD1-CG1 4.07Å |
| 166 | G | 69.6 | Low | 74.2 | Confident | 49 Ų | 49 | 91 Ų | 91 | 51% | 0.505 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.3 | -7.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R164 | R164-G166 PolarHBondContact O-N 2.96Å; R164-G166 VanDerWaalsContact O-N 3.12Å |
| 167 | E | 73.5 | Confident | 74.9 | Confident | 129 Ų | 129 | 89.5 Ų | 89.5 | 60% | 0.603 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -90.7 | -18.1 | 169.5 | -63.9 | 169.8 | -175 | 0 | 0 | 111.6 | R164 I165 | R164-E167 HydrophobicContact CB-CG 4.23Å; R164-E167 WeakPolarHBondContact O-CB 3.47Å; R164-E167 PolarHBondContact O-N 3.08Å; I165-E167 VanDerWaalsContact C-N 3.25Å; I165-E167 PolarHBondContact O-N 3Å |
| 168 | F | 71.7 | Confident | 75.5 | Confident | 128 Ų | 128 | 87.9 Ų | 87.9 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -92.4 | -34.8 | -178.9 | -171.4 | -94.1 | 0 | 0 | 0 | 112.7 | I165 I223 | I165-F168 PolarHBondContact O-N 3.08Å; I165-F168 VanDerWaalsContact O-N 3.13Å; F168-I223 HydrophobicContact CE1-CD1 3.8Å |
| 169 | F | 77.1 | Confident | 76.3 | Confident | 22 Ų | 22 | 90.8 Ų | 90.8 | 10% | 0.096 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -109 | 143.3 | 179.9 | -63.5 | -64.7 | 0 | 0 | 0 | 111.6 | I165 A173 M174 V177 F204 I223 | I165-F169 HydrophobicContact CD1-CD2 4.39Å; I165-F169 HydrophobicContact CD1-CE2 3.97Å; I165-F169 HydrophobicContact CG1-CD2 3.61Å; I165-F169 HydrophobicContact CG1-CE2 3.56Å; I165-F169 WeakPolarHBondContact O-CD2 3.33Å; I165-F169 PolarHBondContact O-N 3.07Å; F169-A173 HydrophobicContact CB-CB 3.77Å; F169-A173 HydrophobicContact CD1-CB 4.04Å; F169-A173 HydrophobicContact CG-CB 4.25Å; F169-M174 HydrophobicContact CB-CG 3.83Å; F169-M174 HydrophobicContact CB-SD 3.93Å; F169-M174 HydrophobicContact CD2-SD 3.73Å; F169-M174 HydrophobicContact CG-SD 4.28Å; F169-V177 HydrophobicContact CD2-CG2 4.25Å; F169-V177 HydrophobicContact CE1-CG2 4.36Å; F169-V177 HydrophobicContact CE2-CG1 4.38Å; F169-V177 HydrophobicContact CE2-CG2 4.01Å; F169-V177 HydrophobicContact CG-CG2 4.49Å; F169-V177 HydrophobicContact CZ-CG2 4.03Å; F169-F204 HydrophobicContact CD1-CE1 4.39Å; F169-F204 AromaticContact CD1-CE2 3.91Å; F169-F204 HydrophobicContact CD1-CE2 3.91Å; F169-F204 AromaticContact CD1-CZ 3.52Å; F169-F204 HydrophobicContact CD1-CZ 3.52Å; F169-F204 AromaticContact CE1-CE1 3.61Å; F169-F204 HydrophobicContact CE1-CE1 3.61Å; F169-F204 AromaticContact CE1-CE2 3.82Å; F169-F204 HydrophobicContact CE1-CE2 3.82Å; F169-F204 AromaticContact CE1-CZ 3.17Å; F169-F204 HydrophobicContact CE1-CZ 3.17Å; F169-F204 HydrophobicContact CZ-CE1 4.37Å; F169-F204 HydrophobicContact CZ-CZ 4.18Å; F169-I223 HydrophobicContact CE1-CD1 3.52Å; F169-I223 HydrophobicContact CZ-CD1 3.35Å; F169-I223 HydrophobicContact CZ-CG2 4.39Å |
| 170 | D | 81.4 | Confident | 77 | Confident | 107 Ų | 107 | 87 Ų | 87 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | trans | -66.4 | 170.9 | 167.3 | 68.6 | 44.8 | 0 | 0 | 0 | 111.8 | H172 A173 M174 | D170-H172 PolarHBondContact O-N 3.45Å; D170-H172 WeakPolarHBondContact OD1-CA 3.49Å; D170-H172 WeakPolarHBondContact OD1-CB 3.47Å; D170-H172 PolarHBondContact OD1-N 3.01Å; D170-A173 PolarHBondContact O-N 2.92Å; D170-A173 WeakPolarHBondContact OD1-CB 3.31Å; D170-A173 PolarHBondContact OD1-N 2.82Å; D170-M174 WeakPolarHBondContact O-CB 3.34Å; D170-M174 PolarHBondContact O-N 3.25Å | ||
| 171 | E | 81.8 | Confident | 77.3 | Confident | 146 Ų | 146 | 79 Ų | 79 | 68% | 0.682 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.4 | -31.5 | -175 | -158.3 | -164.5 | 141.6 | 0 | 0 | 113.1 | K175 | E171-K175 WeakPolarHBondContact O-CG 3.22Å; E171-K175 PolarHBondContact O-N 3.02Å; E171-K175 IonicContact OE1-NZ 3.76Å; E171-K175 PolarHBondContact OE1-NZ 3.03Å |
| 172 | H | 83.7 | Confident | 77.8 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -75.7 | -50 | 179 | -178.3 | 65.3 | 0 | 0 | 0 | 110.9 | D170 M174 K175 V176 | D170-H172 PolarHBondContact O-N 3.45Å; D170-H172 WeakPolarHBondContact OD1-CA 3.49Å; D170-H172 WeakPolarHBondContact OD1-CB 3.47Å; D170-H172 PolarHBondContact OD1-N 3.01Å; H172-M174 PolarHBondContact O-N 3.35Å; H172-K175 PolarHBondContact O-N 3Å; H172-K175 VanDerWaalsContact O-N 3.08Å; H172-V176 PolarHBondContact O-N 3.4Å; H172-V176 VanDerWaalsContact O-N 3.13Å |
| 173 | A | 81.5 | Confident | 78.2 | Confident | 7 Ų | 7 | 79.9 Ų | 79.9 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -52.9 | -43.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F169 D170 K175 V176 V177 F204 | F169-A173 HydrophobicContact CB-CB 3.77Å; F169-A173 HydrophobicContact CD1-CB 4.04Å; F169-A173 HydrophobicContact CG-CB 4.25Å; D170-A173 PolarHBondContact O-N 2.92Å; D170-A173 WeakPolarHBondContact OD1-CB 3.31Å; D170-A173 PolarHBondContact OD1-N 2.82Å; A173-K175 PolarHBondContact O-N 3.36Å; A173-V176 PolarHBondContact O-N 3.13Å; A173-V177 WeakPolarHBondContact O-CB 3.48Å; A173-V177 VanDerWaalsContact O-CG2 3.24Å; A173-V177 WeakPolarHBondContact O-CG2 3.34Å; A173-V177 PolarHBondContact O-N 2.94Å; A173-F204 HydrophobicContact CB-CE2 3.75Å; A173-F204 HydrophobicContact CB-CZ 4.38Å |
| 174 | M | 82.3 | Confident | 78.5 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 14% | 0.138 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 176.4 | -94.5 | -43.8 | -32.1 | 0 | 0 | 113.4 | I165 F169 D170 H172 V176 V177 C178 | I165-M174 HydrophobicContact CB-SD 4.38Å; I165-M174 HydrophobicContact CG1-SD 3.93Å; I165-M174 HydrophobicContact CG2-CE 4.35Å; I165-M174 HydrophobicContact CG2-SD 3.94Å; F169-M174 HydrophobicContact CB-CG 3.83Å; F169-M174 HydrophobicContact CB-SD 3.93Å; F169-M174 HydrophobicContact CD2-SD 3.73Å; F169-M174 HydrophobicContact CG-SD 4.28Å; D170-M174 WeakPolarHBondContact O-CB 3.34Å; D170-M174 PolarHBondContact O-N 3.25Å; H172-M174 PolarHBondContact O-N 3.35Å; M174-V176 VanDerWaalsContact C-N 3.31Å; M174-V176 PolarHBondContact O-N 3.44Å; M174-V177 HydrophobicContact CE-CB 4.03Å; M174-V177 HydrophobicContact CE-CG1 4.04Å; M174-V177 PolarHBondContact O-N 3.38Å; M174-C178 WeakPolarHBondContact CE-SG 3.36Å; M174-C178 VanDerWaalsContact O-CB 3.28Å; M174-C178 WeakPolarHBondContact O-CB 3.3Å; M174-C178 PolarHBondContact O-N 3.17Å; M174-C178 PolarHBondContact O-SG 3.35Å |
| 175 | K | 84.3 | Confident | 78.3 | Confident | 128 Ų | 128 | 68.7 Ų | 68.7 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -43 | 176.4 | -78.9 | 172.5 | -173.3 | 155.4 | 0 | 111.2 | E171 H172 A173 C178 Q179 | E171-K175 WeakPolarHBondContact O-CG 3.22Å; E171-K175 PolarHBondContact O-N 3.02Å; E171-K175 IonicContact OE1-NZ 3.76Å; E171-K175 PolarHBondContact OE1-NZ 3.03Å; H172-K175 PolarHBondContact O-N 3Å; H172-K175 VanDerWaalsContact O-N 3.08Å; A173-K175 PolarHBondContact O-N 3.36Å; K175-C178 PolarHBondContact O-N 3.32Å; K175-Q179 WeakPolarHBondContact O-CB 3.3Å; K175-Q179 PolarHBondContact O-N 3.48Å |
| 176 | V | 84.2 | Confident | 78.1 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -48 | 177.3 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | H172 A173 M174 C178 Q179 L180 P203 F204 | H172-V176 PolarHBondContact O-N 3.4Å; H172-V176 VanDerWaalsContact O-N 3.13Å; A173-V176 PolarHBondContact O-N 3.13Å; M174-V176 VanDerWaalsContact C-N 3.31Å; M174-V176 PolarHBondContact O-N 3.44Å; V176-C178 VanDerWaalsContact C-N 3.35Å; V176-C178 PolarHBondContact O-N 3.41Å; V176-Q179 PolarHBondContact O-N 3.19Å; V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.45Å; V176-L180 PolarHBondContact O-N 2.99Å; V176-P203 HydrophobicContact CB-CG 4.24Å; V176-P203 HydrophobicContact CG1-CG 4.29Å; V176-P203 HydrophobicContact CG2-CG 4.14Å; V176-F204 HydrophobicContact CG1-CD2 4.48Å |
| 177 | V | 80.7 | Confident | 78 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | I165 F169 A173 M174 L180 C181 L194 F204 | I165-V177 HydrophobicContact CD1-CG1 4.07Å; F169-V177 HydrophobicContact CD2-CG2 4.25Å; F169-V177 HydrophobicContact CE1-CG2 4.36Å; F169-V177 HydrophobicContact CE2-CG1 4.38Å; F169-V177 HydrophobicContact CE2-CG2 4.01Å; F169-V177 HydrophobicContact CG-CG2 4.49Å; F169-V177 HydrophobicContact CZ-CG2 4.03Å; A173-V177 WeakPolarHBondContact O-CB 3.48Å; A173-V177 VanDerWaalsContact O-CG2 3.24Å; A173-V177 WeakPolarHBondContact O-CG2 3.34Å; A173-V177 PolarHBondContact O-N 2.94Å; M174-V177 HydrophobicContact CE-CB 4.03Å; M174-V177 HydrophobicContact CE-CG1 4.04Å; M174-V177 PolarHBondContact O-N 3.38Å; V177-L180 PolarHBondContact O-N 2.89Å; V177-C181 WeakPolarHBondContact O-CB 3.34Å; V177-C181 PolarHBondContact O-N 2.81Å; V177-C181 PolarHBondContact O-SG 2.96Å; V177-L194 HydrophobicContact CG1-CD1 4.1Å; V177-L194 HydrophobicContact CG2-CD1 3.95Å; V177-F204 HydrophobicContact CG2-CD2 3.61Å; V177-F204 HydrophobicContact CG2-CE2 3.85Å; V177-F204 HydrophobicContact CG2-CG 4.24Å |
| 178 | C | 80.1 | Confident | 77.5 | Confident | 62 Ų | 62 | 67 Ų | 67 | 42% | 0.419 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.8 | -81.7 | 0 | 0 | 0 | 0 | 112.3 | M174 K175 V176 C181 Q182 | M174-C178 WeakPolarHBondContact CE-SG 3.36Å; M174-C178 VanDerWaalsContact O-CB 3.28Å; M174-C178 WeakPolarHBondContact O-CB 3.3Å; M174-C178 PolarHBondContact O-N 3.17Å; M174-C178 PolarHBondContact O-SG 3.35Å; K175-C178 PolarHBondContact O-N 3.32Å; V176-C178 VanDerWaalsContact C-N 3.35Å; V176-C178 PolarHBondContact O-N 3.41Å; C178-C181 PolarHBondContact O-N 3.15Å; C178-Q182 WeakPolarHBondContact O-CG 3.41Å; C178-Q182 PolarHBondContact O-N 2.68Å |
| 179 | Q | 83.5 | Confident | 77.4 | Confident | 112 Ų | 112 | 63.3 Ų | 63.3 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.4 | -175.4 | -179.2 | -18.9 | 0 | 0 | 110.9 | K175 V176 C181 Q182 E183 | K175-Q179 WeakPolarHBondContact O-CB 3.3Å; K175-Q179 PolarHBondContact O-N 3.48Å; V176-Q179 PolarHBondContact O-N 3.19Å; Q179-C181 VanDerWaalsContact C-N 3.33Å; Q179-C181 PolarHBondContact O-N 3.26Å; Q179-Q182 PolarHBondContact O-N 3.39Å; Q179-Q182 VanDerWaalsContact O-N 3.15Å; Q179-E183 PolarHBondContact NE2-OE1 3.2Å; Q179-E183 VanDerWaalsContact NE2-OE1 3.1Å; Q179-E183 WeakPolarHBondContact O-CG 3.44Å; Q179-E183 PolarHBondContact O-N 2.92Å |
| 180 | L | 82.2 | Confident | 77.1 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.6 | -66.1 | 175.6 | 0 | 0 | 0 | 111.3 | V176 V177 Q182 E183 Q184 L194 F204 V206 | V176-L180 HydrophobicContact CG1-CD1 4.06Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.45Å; V176-L180 PolarHBondContact O-N 2.99Å; V177-L180 PolarHBondContact O-N 2.89Å; L180-Q182 VanDerWaalsContact C-N 3.34Å; L180-Q182 PolarHBondContact O-N 3.48Å; L180-E183 PolarHBondContact O-N 3.04Å; L180-Q184 WeakPolarHBondContact O-CB 3.41Å; L180-Q184 VanDerWaalsContact O-CG 3.23Å; L180-Q184 WeakPolarHBondContact O-CG 3.35Å; L180-Q184 PolarHBondContact O-N 3.49Å; L180-L194 HydrophobicContact CB-CD2 4.33Å; L180-L194 HydrophobicContact CD1-CD2 3.59Å; L180-F204 HydrophobicContact CD1-CB 3.93Å; L180-V206 HydrophobicContact CB-CG2 4.17Å; L180-V206 HydrophobicContact CD1-CG2 4.22Å; L180-V206 HydrophobicContact CD2-CG2 3.93Å; L180-V206 HydrophobicContact CG-CG2 4.32Å |
| 181 | C | 76.5 | Confident | 76.9 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 174.3 | -69 | 0 | 0 | 0 | 0 | 112.1 | V177 C178 Q179 S185 F192 | V177-C181 WeakPolarHBondContact O-CB 3.34Å; V177-C181 PolarHBondContact O-N 2.81Å; V177-C181 PolarHBondContact O-SG 2.96Å; C178-C181 PolarHBondContact O-N 3.15Å; Q179-C181 VanDerWaalsContact C-N 3.33Å; Q179-C181 PolarHBondContact O-N 3.26Å; C181-S185 WeakPolarHBondContact O-CB 3.49Å; C181-S185 PolarHBondContact O-N 3.07Å; C181-F192 HydrophobicContact CB-CZ 4.29Å |
| 182 | Q | 76.9 | Confident | 76.6 | Confident | 139 Ų | 139 | 50.6 Ų | 50.6 | 65% | 0.65 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.4 | -43.1 | 177.6 | -75.4 | 174.5 | -2.7 | 0 | 0 | 111.6 | C178 Q179 L180 S185 A186 | C178-Q182 WeakPolarHBondContact O-CG 3.41Å; C178-Q182 PolarHBondContact O-N 2.68Å; Q179-Q182 PolarHBondContact O-N 3.39Å; Q179-Q182 VanDerWaalsContact O-N 3.15Å; L180-Q182 VanDerWaalsContact C-N 3.34Å; L180-Q182 PolarHBondContact O-N 3.48Å; Q182-S185 PolarHBondContact O-N 3.17Å; Q182-A186 WeakPolarHBondContact O-CB 3.04Å; Q182-A186 PolarHBondContact O-N 2.97Å |
| 183 | E | 79.3 | Confident | 76.3 | Confident | 87 Ų | 87 | 46.4 Ų | 46.4 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.5 | -71.8 | 172.9 | -169.3 | 0 | 0 | 111.7 | Q179 L180 A186 N187 | Q179-E183 PolarHBondContact NE2-OE1 3.2Å; Q179-E183 VanDerWaalsContact NE2-OE1 3.1Å; Q179-E183 WeakPolarHBondContact O-CG 3.44Å; Q179-E183 PolarHBondContact O-N 2.92Å; L180-E183 PolarHBondContact O-N 3.04Å; E183-A186 PolarHBondContact O-N 3.42Å; E183-N187 PolarHBondContact O-N 3.1Å; E183-N187 PolarHBondContact O-ND2 2.92Å |
| 184 | Q | 75.4 | Confident | 76.3 | Confident | 30 Ų | 30 | 46 Ų | 46 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.9 | -37.7 | 177.1 | -65 | -50.7 | -50.9 | 0 | 0 | 112.2 | L180 A186 N187 S188 M189 F192 V206 | L180-Q184 WeakPolarHBondContact O-CB 3.41Å; L180-Q184 VanDerWaalsContact O-CG 3.23Å; L180-Q184 WeakPolarHBondContact O-CG 3.35Å; L180-Q184 PolarHBondContact O-N 3.49Å; Q184-A186 VanDerWaalsContact C-N 3.32Å; Q184-A186 PolarHBondContact O-N 3.45Å; Q184-N187 CarbonylContact O-C 3.39Å; Q184-N187 WeakPolarHBondContact O-CA 3.26Å; Q184-N187 PolarHBondContact O-N 2.89Å; Q184-N187 VanDerWaalsContact O-N 3.1Å; Q184-S188 PolarHBondContact O-N 3.24Å; Q184-M189 HydrophobicContact CB-CB 4.19Å; Q184-M189 WeakPolarHBondContact O-CB 3.22Å; Q184-M189 PolarHBondContact O-N 3.44Å; Q184-F192 HydrophobicContact CB-CD1 3.53Å; Q184-F192 HydrophobicContact CB-CE1 3.49Å; Q184-F192 VanDerWaalsContact CB-CE1 3.49Å; Q184-F192 HydrophobicContact CB-CG 4.23Å; Q184-F192 HydrophobicContact CB-CZ 4.14Å; Q184-F192 HydrophobicContact CG-CB 4.42Å; Q184-F192 HydrophobicContact CG-CD1 3.63Å; Q184-F192 HydrophobicContact CG-CD2 4.1Å; Q184-F192 HydrophobicContact CG-CE1 3.8Å; Q184-F192 HydrophobicContact CG-CE2 4.23Å; Q184-F192 HydrophobicContact CG-CG 3.79Å; Q184-F192 HydrophobicContact CG-CZ 4.08Å; Q184-V206 HydrophobicContact CG-CG1 4.39Å; Q184-V206 HydrophobicContact CG-CG2 4.19Å |
| 185 | S | 68.9 | Low | 76.3 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 175.2 | -169.4 | 0 | 0 | 0 | 0 | 112 | Y78 C181 Q182 N187 S188 | Y78-S185 WeakPolarHBondContact CE1-OG 3.39Å; Y78-S185 PolarHBondContact OH-OG 3.43Å; Y78-S185 VanDerWaalsContact OH-OG 3.05Å; C181-S185 WeakPolarHBondContact O-CB 3.49Å; C181-S185 PolarHBondContact O-N 3.07Å; Q182-S185 PolarHBondContact O-N 3.17Å; S185-N187 PolarHBondContact O-N 3.43Å; S185-S188 PolarHBondContact O-N 3.33Å; S185-S188 VanDerWaalsContact O-N 3.08Å |
| 186 | A | 66.3 | Low | 76.2 | Confident | 81 Ų | 81 | 44.4 Ų | 44.4 | 67% | 0.669 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.5 | -30.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q182 E183 Q184 S188 | Q182-A186 WeakPolarHBondContact O-CB 3.04Å; Q182-A186 PolarHBondContact O-N 2.97Å; E183-A186 PolarHBondContact O-N 3.42Å; Q184-A186 VanDerWaalsContact C-N 3.32Å; Q184-A186 PolarHBondContact O-N 3.45Å; A186-S188 VanDerWaalsContact C-N 3.25Å; A186-S188 PolarHBondContact O-N 3.05Å |
| 187 | N | 66 | Low | 76 | Confident | 111 Ų | 111 | 45.3 Ų | 45.3 | 59% | 0.594 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 11.2 | 174.1 | -67 | -31.6 | 0 | 0 | 0 | 113.7 | E183 Q184 S185 M189 | E183-N187 PolarHBondContact O-N 3.1Å; E183-N187 PolarHBondContact O-ND2 2.92Å; Q184-N187 CarbonylContact O-C 3.39Å; Q184-N187 WeakPolarHBondContact O-CA 3.26Å; Q184-N187 PolarHBondContact O-N 2.89Å; Q184-N187 VanDerWaalsContact O-N 3.1Å; S185-N187 PolarHBondContact O-N 3.43Å; N187-M189 HydrophobicContact CB-CG 4.17Å; N187-M189 PolarHBondContact O-N 3.38Å; N187-M189 VanDerWaalsContact O-N 3.11Å |
| 188 | S | 64.4 | Low | 76 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 26.8 | -176.5 | -55.7 | 0 | 0 | 0 | 0 | 113.5 | Q184 S185 A186 N190 | Q184-S188 PolarHBondContact O-N 3.24Å; S185-S188 PolarHBondContact O-N 3.33Å; S185-S188 VanDerWaalsContact O-N 3.08Å; A186-S188 VanDerWaalsContact C-N 3.25Å; A186-S188 PolarHBondContact O-N 3.05Å; S188-N190 PolarHBondContact O-N 2.85Å; S188-N190 PolarHBondContact O-OD1 3.01Å; S188-N190 VanDerWaalsContact O-OD1 3.11Å |
| 189 | M | 68.1 | Low | 75.9 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | trans | -84.3 | 105.6 | 176.6 | -71.1 | -70.1 | -76 | 0 | 0 | 109.3 | P122 Q184 N187 H191 | P122-M189 HydrophobicContact CG-CE 3.94Å; P122-M189 HydrophobicContact CG-SD 3.87Å; Q184-M189 HydrophobicContact CB-CB 4.19Å; Q184-M189 WeakPolarHBondContact O-CB 3.22Å; Q184-M189 PolarHBondContact O-N 3.44Å; N187-M189 HydrophobicContact CB-CG 4.17Å; N187-M189 PolarHBondContact O-N 3.38Å; N187-M189 VanDerWaalsContact O-N 3.11Å; M189-H191 PolarHBondContact O-N 3.25Å | ||
| 190 | N | 72.4 | Confident | 75.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -74 | -13.9 | -177.1 | -55.5 | -6.8 | 0 | 0 | 0 | 113.2 | Y48 Y78 A79 Y126 S188 C227 | Y48-N190 PolarHBondContact OH-ND2 2.92Å; Y78-N190 WeakPolarHBondContact CB-OD1 3.49Å; Y78-N190 WeakPolarHBondContact CD1-OD1 3.25Å; A79-N190 PolarHBondContact O-ND2 3.14Å; A79-N190 VanDerWaalsContact O-ND2 3.1Å; Y126-N190 HydrophobicContact CD2-CB 4.43Å; Y126-N190 VanDerWaalsContact CD2-ND2 3.32Å; Y126-N190 WeakPolarHBondContact CD2-ND2 3.45Å; Y126-N190 HydrophobicContact CE2-CB 3.69Å; Y126-N190 WeakPolarHBondContact CE2-ND2 3.05Å; S188-N190 PolarHBondContact O-N 2.85Å; S188-N190 PolarHBondContact O-OD1 3.01Å; S188-N190 VanDerWaalsContact O-OD1 3.11Å; N190-C227 PolarHBondContact O-N 3.05Å |
| 191 | H | 76.9 | Confident | 75.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 148.2 | 177.3 | 51.9 | -79.7 | 0 | 0 | 0 | 110.6 | W118 P122 Y126 M189 F209 V225 C226 L243 | W118-H191 AromaticContact CE3-NE2 3.69Å; W118-H191 AromaticContact CZ3-NE2 3.49Å; W118-H191 WeakPolarHBondContact CZ3-NE2 3.33Å; P122-H191 WeakPolarHBondContact CB-CE1 3.43Å; Y126-H191 AromaticContact CE2-CE1 3.98Å; Y126-H191 AromaticContact CE2-ND1 3.86Å; Y126-H191 AromaticContact CZ-CE1 3.94Å; Y126-H191 AromaticContact CZ-ND1 3.81Å; Y126-H191 PolarHBondContact OH-CE1 3.15Å; Y126-H191 VanDerWaalsContact OH-CE1 3.31Å; Y126-H191 PolarHBondContact OH-ND1 3.47Å; M189-H191 PolarHBondContact O-N 3.25Å; H191-F209 HydrophobicContact CB-CE2 4.35Å; H191-F209 AromaticContact CD2-CE2 3.38Å; H191-F209 WeakPolarHBondContact CD2-CE2 3.43Å; H191-F209 AromaticContact CD2-CZ 3.61Å; H191-V225 CarbonylContact C-O 3.55Å; H191-V225 WeakPolarHBondContact CA-O 3.46Å; H191-V225 VanDerWaalsContact CB-O 3.27Å; H191-V225 WeakPolarHBondContact CB-O 3.47Å; H191-C226 HydrophobicContact CB-CB 4.25Å; H191-L243 HydrophobicContact CB-CD1 4.42Å; H191-L243 HydrophobicContact CB-CD2 3.82Å; H191-L243 VanDerWaalsContact CD2-CD1 3.4Å; H191-L243 WeakPolarHBondContact CD2-CD1 3.25Å |
| 192 | F | 75.8 | Confident | 75.3 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 165.8 | 178 | 53 | -87.5 | 0 | 0 | 0 | 109.9 | C181 Q184 L194 V206 V225 | C181-F192 HydrophobicContact CB-CZ 4.29Å; Q184-F192 HydrophobicContact CB-CD1 3.53Å; Q184-F192 HydrophobicContact CB-CE1 3.49Å; Q184-F192 VanDerWaalsContact CB-CE1 3.49Å; Q184-F192 HydrophobicContact CB-CG 4.23Å; Q184-F192 HydrophobicContact CB-CZ 4.14Å; Q184-F192 HydrophobicContact CG-CB 4.42Å; Q184-F192 HydrophobicContact CG-CD1 3.63Å; Q184-F192 HydrophobicContact CG-CD2 4.1Å; Q184-F192 HydrophobicContact CG-CE1 3.8Å; Q184-F192 HydrophobicContact CG-CE2 4.23Å; Q184-F192 HydrophobicContact CG-CG 3.79Å; Q184-F192 HydrophobicContact CG-CZ 4.08Å; F192-L194 HydrophobicContact CD2-CD2 3.98Å; F192-L194 HydrophobicContact CD2-CG 4.09Å; F192-L194 HydrophobicContact CE2-CD1 4.24Å; F192-L194 HydrophobicContact CE2-CD2 3.73Å; F192-L194 HydrophobicContact CE2-CG 3.82Å; F192-V206 HydrophobicContact CB-CG1 4.15Å; F192-V206 HydrophobicContact CD2-CG1 4.36Å; F192-V206 HydrophobicContact CD2-CG2 4.3Å; F192-V225 HydrophobicContact CD1-CB 4.41Å; F192-V225 HydrophobicContact CD2-CB 4.04Å; F192-V225 HydrophobicContact CD2-CG2 4.25Å; F192-V225 HydrophobicContact CE1-CB 4.06Å; F192-V225 HydrophobicContact CE1-CG1 3.84Å; F192-V225 HydrophobicContact CE2-CB 3.66Å; F192-V225 HydrophobicContact CE2-CG1 4.01Å; F192-V225 HydrophobicContact CE2-CG2 3.71Å; F192-V225 HydrophobicContact CG-CB 4.4Å; F192-V225 HydrophobicContact CZ-CB 3.67Å; F192-V225 HydrophobicContact CZ-CG1 3.5Å; F192-V225 HydrophobicContact CZ-CG2 4.09Å; F192-V225 PolarHBondContact N-O 3.48Å; F192-V225 PolarHBondContact O-N 3.34Å |
| 193 | I | 77.4 | Confident | 75.4 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.6 | 175.4 | -58.6 | 170.9 | 0 | 0 | 0 | 107.7 | V206 L207 F209 L222 I223 W247 | I193-V206 CarbonylContact O-C 3.5Å; I193-V206 WeakPolarHBondContact O-CA 3.46Å; I193-L207 HydrophobicContact CB-CB 4.08Å; I193-L207 HydrophobicContact CG2-CB 4.16Å; I193-L207 PolarHBondContact N-O 3.27Å; I193-L207 PolarHBondContact O-N 3.35Å; I193-F209 HydrophobicContact CD1-CD1 3.75Å; I193-F209 HydrophobicContact CD1-CD2 4.26Å; I193-F209 HydrophobicContact CD1-CE1 4Å; I193-F209 HydrophobicContact CD1-CE2 4.41Å; I193-F209 HydrophobicContact CD1-CG 3.92Å; I193-F209 HydrophobicContact CD1-CZ 4.29Å; I193-F209 HydrophobicContact CG1-CD1 4.15Å; I193-F209 HydrophobicContact CG1-CD2 4.04Å; I193-F209 HydrophobicContact CG1-CE1 4Å; I193-F209 HydrophobicContact CG1-CE2 3.8Å; I193-F209 HydrophobicContact CG1-CG 4.19Å; I193-F209 HydrophobicContact CG1-CZ 3.79Å; I193-L222 HydrophobicContact CG2-CB 4.27Å; I193-L222 HydrophobicContact CG2-CD2 4.02Å; I193-I223 CarbonylContact C-O 3.53Å; I193-I223 WeakPolarHBondContact CA-O 3.26Å; I193-W247 HydrophobicContact CD1-CH2 3.71Å; I193-W247 HydrophobicContact CD1-CZ3 3.71Å; I193-W247 HydrophobicContact CG1-CH2 4.11Å; I193-W247 HydrophobicContact CG1-CZ3 3.94Å |
| 194 | L | 80.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.5 | 166.2 | -66.5 | 177.4 | 0 | 0 | 0 | 108.6 | V177 L180 F192 F204 A205 V206 L222 I223 V225 | V177-L194 HydrophobicContact CG1-CD1 4.1Å; V177-L194 HydrophobicContact CG2-CD1 3.95Å; L180-L194 HydrophobicContact CB-CD2 4.33Å; L180-L194 HydrophobicContact CD1-CD2 3.59Å; F192-L194 HydrophobicContact CD2-CD2 3.98Å; F192-L194 HydrophobicContact CD2-CG 4.09Å; F192-L194 HydrophobicContact CE2-CD1 4.24Å; F192-L194 HydrophobicContact CE2-CD2 3.73Å; F192-L194 HydrophobicContact CE2-CG 3.82Å; L194-F204 HydrophobicContact CB-CB 4.33Å; L194-F204 HydrophobicContact CB-CD1 4.33Å; L194-F204 HydrophobicContact CD2-CB 4.19Å; L194-A205 WeakPolarHBondContact CA-O 3.3Å; L194-V206 HydrophobicContact CD2-CG2 3.86Å; L194-L222 WeakPolarHBondContact O-CA 3.19Å; L194-I223 HydrophobicContact CB-CB 4.23Å; L194-I223 PolarHBondContact N-O 3.15Å; L194-I223 PolarHBondContact O-N 2.74Å; L194-V225 HydrophobicContact CD1-CG2 3.59Å; L194-V225 HydrophobicContact CG-CG2 3.85Å |
| 195 | E | 83.3 | Confident | 75.9 | Confident | 34 Ų | 34 | 50 Ų | 50 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 121.4 | 168.7 | 177.6 | -170.8 | -172.9 | 0 | 0 | 108.3 | T197 F204 A205 L207 R213 L217 L222 | E195-T197 PolarHBondContact O-N 2.77Å; E195-F204 CarbonylContact O-C 3.45Å; E195-F204 VanDerWaalsContact O-CA 3.24Å; E195-F204 WeakPolarHBondContact O-CA 3.29Å; E195-A205 PolarHBondContact N-O 3.27Å; E195-A205 PolarHBondContact O-N 3.34Å; E195-L207 HydrophobicContact CB-CD1 4.16Å; E195-L207 VanDerWaalsContact OE2-CD1 3.22Å; E195-L207 WeakPolarHBondContact OE2-CD1 3.48Å; E195-R213 IonicContact OE2-NH1 3.52Å; E195-L217 HydrophobicContact CG-CD2 4.02Å; E195-L217 WeakPolarHBondContact OE1-CD2 3.35Å; E195-L222 HydrophobicContact CB-CD2 4.06Å; E195-L222 HydrophobicContact CG-CD2 4.28Å |
| 196 | Q | 81.8 | Confident | 76.4 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 118 | 170.8 | -169.8 | 175.6 | 9.4 | 0 | 0 | 109.2 | P203 F204 K221 | Q196-P203 CarbonylContact C-O 3.52Å; Q196-P203 VanDerWaalsContact CA-O 3.31Å; Q196-P203 WeakPolarHBondContact CA-O 3.32Å; Q196-F204 HydrophobicContact CB-CD1 4.23Å; Q196-F204 HydrophobicContact CB-CE1 4Å; Q196-F204 HydrophobicContact CG-CD1 4.48Å; Q196-F204 HydrophobicContact CG-CE1 3.95Å; Q196-K221 HydrophobicContact CB-CB 4.02Å; Q196-K221 HydrophobicContact CB-CG 4.44Å; Q196-K221 WeakPolarHBondContact CB-O 3.38Å; Q196-K221 PolarHBondContact N-O 2.93Å |
| 197 | T | 80.1 | Confident | 76.9 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 163.2 | -179.4 | 81.2 | 0 | 0 | 0 | 0 | 110.5 | E195 D199 L202 P203 A205 | E195-T197 PolarHBondContact O-N 2.77Å; T197-D199 PolarHBondContact OG1-N 2.82Å; T197-D199 VanDerWaalsContact OG1-N 3.1Å; T197-D199 PolarHBondContact OG1-O 2.9Å; T197-L202 WeakPolarHBondContact CG2-O 3.36Å; T197-L202 PolarHBondContact OG1-O 3.3Å; T197-P203 PolarHBondContact N-O 3.42Å; T197-A205 HydrophobicContact CG2-CB 3.72Å |
| 198 | D | 80.2 | Confident | 77 | Confident | 146 Ų | 146 | 45.5 Ų | 45.5 | 78% | 0.781 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -84 | 2.6 | 171 | -57.4 | -33.2 | 0 | 0 | 0 | 111.9 | K221 | D198-K221 IonicContact OD1-NZ 3.02Å; D198-K221 PolarHBondContact OD1-NZ 2.78Å; D198-K221 IonicContact OD2-NZ 3.47Å |
| 199 | D | 78.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 44 Ų | 44 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | trans | -86.4 | 113.7 | 177.6 | -172.9 | -13 | 0 | 0 | 0 | 110.7 | T197 N201 L202 P203 | T197-D199 PolarHBondContact OG1-N 2.82Å; T197-D199 VanDerWaalsContact OG1-N 3.1Å; T197-D199 PolarHBondContact OG1-O 2.9Å; D199-N201 PolarHBondContact O-N 3.32Å; D199-N201 PolarHBondContact OD1-N 2.92Å; D199-L202 HydrophobicContact CB-CB 4.42Å; D199-L202 CarbonylContact O-C 3.43Å; D199-L202 VanDerWaalsContact O-C 3.25Å; D199-L202 PolarHBondContact O-N 3.14Å; D199-L202 VanDerWaalsContact O-N 3.14Å; D199-P203 WeakPolarHBondContact O-CA 3.32Å | ||
| 200 | A | 73.7 | Confident | 77 | Confident | 83 Ų | 83 | 43.6 Ų | 43.6 | 69% | 0.686 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 201 | N | 76.7 | Confident | 76.8 | Confident | 129 Ų | 129 | 45 Ų | 45 | 69% | 0.69 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -21.5 | 177.8 | -69.8 | -37.7 | 0 | 0 | 0 | 113.2 | D199 P203 | D199-N201 PolarHBondContact O-N 3.32Å; D199-N201 PolarHBondContact OD1-N 2.92Å; N201-P203 VanDerWaalsContact C-CD 3.49Å |
| 202 | L | 78.7 | Confident | 76.4 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -132.7 | 62.3 | -178.6 | -152.5 | 90.8 | 0 | 0 | 0 | 109.7 | T197 D199 F204 | T197-L202 WeakPolarHBondContact CG2-O 3.36Å; T197-L202 PolarHBondContact OG1-O 3.3Å; D199-L202 HydrophobicContact CB-CB 4.42Å; D199-L202 CarbonylContact O-C 3.43Å; D199-L202 VanDerWaalsContact O-C 3.25Å; D199-L202 PolarHBondContact O-N 3.14Å; D199-L202 VanDerWaalsContact O-N 3.14Å; L202-F204 PolarHBondContact O-N 2.94Å |
| 203 | P | 79 | Confident | 76 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -59.8 | -14.4 | -167.8 | 23.9 | -35.6 | 0 | 0 | 0 | 113.9 | V176 Q196 T197 D199 N201 | V176-P203 HydrophobicContact CB-CG 4.24Å; V176-P203 HydrophobicContact CG1-CG 4.29Å; V176-P203 HydrophobicContact CG2-CG 4.14Å; Q196-P203 CarbonylContact C-O 3.52Å; Q196-P203 VanDerWaalsContact CA-O 3.31Å; Q196-P203 WeakPolarHBondContact CA-O 3.32Å; T197-P203 PolarHBondContact N-O 3.42Å; D199-P203 WeakPolarHBondContact O-CA 3.32Å; N201-P203 VanDerWaalsContact C-CD 3.49Å | ||
| 204 | F | 84.6 | Confident | 75.3 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.5 | 175.9 | -54.1 | -76.3 | 0 | 0 | 0 | 111.7 | F169 A173 V176 V177 L180 L194 E195 Q196 L202 I223 | F169-F204 HydrophobicContact CD1-CE1 4.39Å; F169-F204 AromaticContact CD1-CE2 3.91Å; F169-F204 HydrophobicContact CD1-CE2 3.91Å; F169-F204 AromaticContact CD1-CZ 3.52Å; F169-F204 HydrophobicContact CD1-CZ 3.52Å; F169-F204 AromaticContact CE1-CE1 3.61Å; F169-F204 HydrophobicContact CE1-CE1 3.61Å; F169-F204 AromaticContact CE1-CE2 3.82Å; F169-F204 HydrophobicContact CE1-CE2 3.82Å; F169-F204 AromaticContact CE1-CZ 3.17Å; F169-F204 HydrophobicContact CE1-CZ 3.17Å; F169-F204 HydrophobicContact CZ-CE1 4.37Å; F169-F204 HydrophobicContact CZ-CZ 4.18Å; A173-F204 HydrophobicContact CB-CE2 3.75Å; A173-F204 HydrophobicContact CB-CZ 4.38Å; V176-F204 HydrophobicContact CG1-CD2 4.48Å; V177-F204 HydrophobicContact CG2-CD2 3.61Å; V177-F204 HydrophobicContact CG2-CE2 3.85Å; V177-F204 HydrophobicContact CG2-CG 4.24Å; L180-F204 HydrophobicContact CD1-CB 3.93Å; L194-F204 HydrophobicContact CB-CB 4.33Å; L194-F204 HydrophobicContact CB-CD1 4.33Å; L194-F204 HydrophobicContact CD2-CB 4.19Å; E195-F204 CarbonylContact O-C 3.45Å; E195-F204 VanDerWaalsContact O-CA 3.24Å; E195-F204 WeakPolarHBondContact O-CA 3.29Å; Q196-F204 HydrophobicContact CB-CD1 4.23Å; Q196-F204 HydrophobicContact CB-CE1 4Å; Q196-F204 HydrophobicContact CG-CD1 4.48Å; Q196-F204 HydrophobicContact CG-CE1 3.95Å; L202-F204 PolarHBondContact O-N 2.94Å; F204-I223 HydrophobicContact CE1-CD1 3.99Å |
| 205 | A | 81.2 | Confident | 74.4 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 24% | 0.24 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L194 E195 T197 L207 | L194-A205 WeakPolarHBondContact CA-O 3.3Å; E195-A205 PolarHBondContact N-O 3.27Å; E195-A205 PolarHBondContact O-N 3.34Å; T197-A205 HydrophobicContact CG2-CB 3.72Å; A205-L207 PolarHBondContact O-N 3.44Å |
| 206 | V | 79.3 | Confident | 73.6 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.1 | 174.4 | 176.7 | 0 | 0 | 0 | 0 | 109 | L180 Q184 F192 I193 L194 | L180-V206 HydrophobicContact CB-CG2 4.17Å; L180-V206 HydrophobicContact CD1-CG2 4.22Å; L180-V206 HydrophobicContact CD2-CG2 3.93Å; L180-V206 HydrophobicContact CG-CG2 4.32Å; Q184-V206 HydrophobicContact CG-CG1 4.39Å; Q184-V206 HydrophobicContact CG-CG2 4.19Å; F192-V206 HydrophobicContact CB-CG1 4.15Å; F192-V206 HydrophobicContact CD2-CG1 4.36Å; F192-V206 HydrophobicContact CD2-CG2 4.3Å; I193-V206 CarbonylContact O-C 3.5Å; I193-V206 WeakPolarHBondContact O-CA 3.46Å; L194-V206 HydrophobicContact CD2-CG2 3.86Å |
| 207 | L | 75.6 | Confident | 72.9 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.1 | 171.5 | -142.5 | 97.9 | 0 | 0 | 0 | 109.2 | I193 E195 A205 D211 A214 L217 | I193-L207 HydrophobicContact CB-CB 4.08Å; I193-L207 HydrophobicContact CG2-CB 4.16Å; I193-L207 PolarHBondContact N-O 3.27Å; I193-L207 PolarHBondContact O-N 3.35Å; E195-L207 HydrophobicContact CB-CD1 4.16Å; E195-L207 VanDerWaalsContact OE2-CD1 3.22Å; E195-L207 WeakPolarHBondContact OE2-CD1 3.48Å; A205-L207 PolarHBondContact O-N 3.44Å; L207-D211 HydrophobicContact CD2-CB 3.74Å; L207-D211 HydrophobicContact CG-CB 3.75Å; L207-A214 HydrophobicContact CD2-CB 3.92Å; L207-L217 HydrophobicContact CD1-CD1 3.8Å; L207-L217 HydrophobicContact CD2-CD1 3.7Å; L207-L217 HydrophobicContact CG-CD1 4.43Å |
| 208 | S | 69.7 | Low | 72.4 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 142.4 | 167.7 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | G210 D211 | S208-G210 PolarHBondContact O-N 3.42Å; S208-G210 VanDerWaalsContact O-N 3.11Å; S208-G210 PolarHBondContact OG-N 3.32Å; S208-D211 WeakPolarHBondContact O-CB 3.38Å; S208-D211 PolarHBondContact O-N 3.07Å |
| 209 | F | 67.4 | Low | 71.8 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24.3 | 173.5 | -85.5 | -95.8 | 0 | 0 | 0 | 113.1 | W118 L119 H191 I193 V224 L243 W247 L252 | W118-F209 AromaticContact CH2-CD1 3.51Å; W118-F209 HydrophobicContact CH2-CD1 3.51Å; W118-F209 AromaticContact CH2-CE1 3.75Å; W118-F209 HydrophobicContact CH2-CE1 3.75Å; W118-F209 HydrophobicContact CH2-CG 4.24Å; W118-F209 AromaticContact CZ3-CD1 3.86Å; W118-F209 HydrophobicContact CZ3-CD1 3.86Å; W118-F209 HydrophobicContact CZ3-CE1 4.01Å; W118-F209 HydrophobicContact CZ3-CG 4.24Å; L119-F209 HydrophobicContact CD2-CB 3.6Å; H191-F209 HydrophobicContact CB-CE2 4.35Å; H191-F209 AromaticContact CD2-CE2 3.38Å; H191-F209 WeakPolarHBondContact CD2-CE2 3.43Å; H191-F209 AromaticContact CD2-CZ 3.61Å; I193-F209 HydrophobicContact CD1-CD1 3.75Å; I193-F209 HydrophobicContact CD1-CD2 4.26Å; I193-F209 HydrophobicContact CD1-CE1 4Å; I193-F209 HydrophobicContact CD1-CE2 4.41Å; I193-F209 HydrophobicContact CD1-CG 3.92Å; I193-F209 HydrophobicContact CD1-CZ 4.29Å; I193-F209 HydrophobicContact CG1-CD1 4.15Å; I193-F209 HydrophobicContact CG1-CD2 4.04Å; I193-F209 HydrophobicContact CG1-CE1 4Å; I193-F209 HydrophobicContact CG1-CE2 3.8Å; I193-F209 HydrophobicContact CG1-CG 4.19Å; I193-F209 HydrophobicContact CG1-CZ 3.79Å; F209-V224 HydrophobicContact CZ-CG1 3.97Å; F209-L243 HydrophobicContact CE1-CD1 4.28Å; F209-L243 HydrophobicContact CZ-CD1 4.12Å; F209-W247 HydrophobicContact CD1-CE3 4.31Å; F209-W247 AromaticContact CD1-CZ3 3.96Å; F209-W247 HydrophobicContact CD1-CZ3 3.96Å; F209-W247 AromaticContact CE1-CE3 3.49Å; F209-W247 HydrophobicContact CE1-CE3 3.49Å; F209-W247 VanDerWaalsContact CE1-CE3 3.49Å; F209-W247 AromaticContact CE1-CZ3 3.27Å; F209-W247 HydrophobicContact CE1-CZ3 3.27Å; F209-W247 HydrophobicContact CZ-CE3 4.3Å; F209-W247 AromaticContact CZ-CZ3 3.94Å; F209-W247 HydrophobicContact CZ-CZ3 3.94Å; F209-L252 HydrophobicContact CD1-CD1 4.46Å |
| 210 | G | 65.3 | Low | 71.6 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S208 P212 | S208-G210 PolarHBondContact O-N 3.42Å; S208-G210 VanDerWaalsContact O-N 3.11Å; S208-G210 PolarHBondContact OG-N 3.32Å; G210-P212 WeakPolarHBondContact O-CD 3.41Å |
| 211 | D | 68.3 | Low | 71.8 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | trans | -65.2 | 122.2 | -176.1 | -166.7 | -40.6 | 0 | 0 | 0 | 110.9 | L207 S208 R213 A214 | L207-D211 HydrophobicContact CD2-CB 3.74Å; L207-D211 HydrophobicContact CG-CB 3.75Å; S208-D211 WeakPolarHBondContact O-CB 3.38Å; S208-D211 PolarHBondContact O-N 3.07Å; D211-R213 PolarHBondContact O-N 3.36Å; D211-R213 VanDerWaalsContact O-N 3.1Å; D211-R213 WeakPolarHBondContact OD1-CB 3.42Å; D211-R213 VanDerWaalsContact OD1-CG 3.25Å; D211-R213 WeakPolarHBondContact OD1-CG 3.41Å; D211-R213 PolarHBondContact OD1-N 3.49Å; D211-R213 IonicContact OD1-NE 3.76Å; D211-R213 PolarHBondContact OD1-NE 3.12Å; D211-R213 VanDerWaalsContact OD1-NE 3.16Å; D211-R213 IonicContact OD2-CZ 2.77Å; D211-R213 VanDerWaalsContact OD2-CZ 3.25Å; D211-R213 IonicContact OD2-NE 3.58Å; D211-R213 PolarHBondContact OD2-NE 3.15Å; D211-R213 IonicContact OD2-NH2 3.41Å; D211-R213 PolarHBondContact OD2-NH2 3.24Å; D211-A214 WeakPolarHBondContact O-CB 3.5Å; D211-A214 PolarHBondContact O-N 3.27Å | ||
| 212 | P | 67.3 | Low | 71.9 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -57.2 | -26.5 | 179 | -22.3 | 31.6 | 0 | 0 | 0 | 113.7 | G210 A214 K215 | G210-P212 WeakPolarHBondContact O-CD 3.41Å; P212-A214 PolarHBondContact O-N 3.48Å; P212-K215 PolarHBondContact O-N 3.48Å |
| 213 | R | 67.5 | Low | 71.8 | Confident | 130 Ų | 130 | 55 Ų | 55 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -62.9 | -25.7 | 177.8 | -63.5 | 179.3 | -67.3 | 157.6 | -1 | 112.3 | E195 D211 K215 H216 L217 | E195-R213 IonicContact OE2-NH1 3.52Å; D211-R213 PolarHBondContact O-N 3.36Å; D211-R213 VanDerWaalsContact O-N 3.1Å; D211-R213 WeakPolarHBondContact OD1-CB 3.42Å; D211-R213 VanDerWaalsContact OD1-CG 3.25Å; D211-R213 WeakPolarHBondContact OD1-CG 3.41Å; D211-R213 PolarHBondContact OD1-N 3.49Å; D211-R213 IonicContact OD1-NE 3.76Å; D211-R213 PolarHBondContact OD1-NE 3.12Å; D211-R213 VanDerWaalsContact OD1-NE 3.16Å; D211-R213 IonicContact OD2-CZ 2.77Å; D211-R213 VanDerWaalsContact OD2-CZ 3.25Å; D211-R213 IonicContact OD2-NE 3.58Å; D211-R213 PolarHBondContact OD2-NE 3.15Å; D211-R213 IonicContact OD2-NH2 3.41Å; D211-R213 PolarHBondContact OD2-NH2 3.24Å; R213-K215 PolarHBondContact O-N 2.86Å; R213-H216 PolarHBondContact O-N 2.87Å; R213-L217 HydrophobicContact CB-CD1 4.19Å; R213-L217 WeakPolarHBondContact O-CG 3.48Å; R213-L217 PolarHBondContact O-N 2.97Å |
| 214 | A | 62.7 | Low | 71.8 | Confident | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -54.1 | -22.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L207 D211 P212 H216 L252 V253 | L207-A214 HydrophobicContact CD2-CB 3.92Å; D211-A214 WeakPolarHBondContact O-CB 3.5Å; D211-A214 PolarHBondContact O-N 3.27Å; P212-A214 PolarHBondContact O-N 3.48Å; A214-H216 VanDerWaalsContact C-N 3.3Å; A214-H216 PolarHBondContact O-N 2.9Å; A214-L252 HydrophobicContact CB-CD2 4.2Å; A214-V253 VanDerWaalsContact O-O 3.11Å |
| 215 | K | 61.9 | Low | 71.5 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 55% | 0.548 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -71.7 | -16.3 | 176.7 | -57.6 | -166.1 | 176.8 | 177 | 0 | 116.8 | P212 R213 V253 | P212-K215 PolarHBondContact O-N 3.48Å; R213-K215 PolarHBondContact O-N 2.86Å; K215-V253 VanDerWaalsContact CA-CG1 3.43Å; K215-V253 HydrophobicContact CB-CB 3.88Å; K215-V253 HydrophobicContact CB-CG1 3.66Å; K215-V253 HydrophobicContact CB-CG2 4.29Å; K215-V253 HydrophobicContact CD-CG2 4.08Å; K215-V253 HydrophobicContact CG-CB 3.76Å; K215-V253 HydrophobicContact CG-CG1 4.03Å; K215-V253 HydrophobicContact CG-CG2 3.69Å; K215-V253 VanDerWaalsContact O-CG1 3.24Å; K215-V253 WeakPolarHBondContact O-CG1 3.48Å |
| 216 | H | 67.1 | Low | 71.5 | Confident | 175 Ų | 175 | 57.7 Ų | 57.7 | 81% | 0.81 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 2 | -175.8 | -58.4 | -59.3 | 0 | 0 | 0 | 112.3 | R213 A214 | R213-H216 PolarHBondContact O-N 2.87Å; A214-H216 VanDerWaalsContact C-N 3.3Å; A214-H216 PolarHBondContact O-N 2.9Å |
| 217 | L | 65.8 | Low | 71.6 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | trans | -81.1 | 141.3 | -178.2 | -79.3 | 162.1 | 0 | 0 | 0 | 110.9 | E195 L207 R213 I219 L222 L254 | E195-L217 HydrophobicContact CG-CD2 4.02Å; E195-L217 WeakPolarHBondContact OE1-CD2 3.35Å; L207-L217 HydrophobicContact CD1-CD1 3.8Å; L207-L217 HydrophobicContact CD2-CD1 3.7Å; L207-L217 HydrophobicContact CG-CD1 4.43Å; R213-L217 HydrophobicContact CB-CD1 4.19Å; R213-L217 WeakPolarHBondContact O-CG 3.48Å; R213-L217 PolarHBondContact O-N 2.97Å; L217-I219 PolarHBondContact O-N 3.05Å; L217-L222 HydrophobicContact CB-CD1 4.05Å; L217-L222 HydrophobicContact CB-CD2 4.3Å; L217-L222 HydrophobicContact CB-CG 4.42Å; L217-L222 HydrophobicContact CD1-CD2 4.13Å; L217-L254 WeakPolarHBondContact O-CD2 3.41Å | ||
| 218 | D | 69.9 | Low | 72 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | trans | -69.1 | 103.6 | 166.4 | -172.8 | -16 | 0 | 0 | 0 | 107.2 | S220 K221 | D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact O-N 2.78Å; D218-S220 WeakPolarHBondContact OD1-CB 3.49Å; D218-S220 PolarHBondContact OD1-N 2.86Å; D218-S220 PolarHBondContact OD1-OG 3.49Å; D218-S220 PolarHBondContact OD2-OG 3.37Å; D218-S220 VanDerWaalsContact OD2-OG 3.08Å; D218-K221 HydrophobicContact CB-CG 4.35Å; D218-K221 WeakPolarHBondContact O-CA 3.25Å; D218-K221 WeakPolarHBondContact O-CB 3.4Å; D218-K221 PolarHBondContact O-N 3.34Å | ||
| 219 | I | 68.2 | Low | 72.8 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | G | 310 helix | 55.4 | -105 | 104.4 | 52.7 | 157.7 | 0 | 0 | 0 | 112.4 | L217 K221 L222 L254 H255 L256 | L217-I219 PolarHBondContact O-N 3.05Å; I219-K221 PolarHBondContact O-N 2.96Å; I219-L222 PolarHBondContact O-N 2.79Å; I219-L254 HydrophobicContact CB-CB 4.22Å; I219-L254 HydrophobicContact CB-CD2 3.79Å; I219-L254 HydrophobicContact CB-CG 4.41Å; I219-L254 HydrophobicContact CD1-CB 3.55Å; I219-L254 HydrophobicContact CD1-CD2 4.41Å; I219-L254 HydrophobicContact CG1-CB 3.53Å; I219-L254 HydrophobicContact CG1-CD2 3.42Å; I219-L254 VanDerWaalsContact CG1-CD2 3.42Å; I219-L254 HydrophobicContact CG1-CG 4Å; I219-L254 HydrophobicContact CG2-CB 3.87Å; I219-L254 HydrophobicContact CG2-CD1 3.77Å; I219-L254 HydrophobicContact CG2-CD2 3.77Å; I219-L254 HydrophobicContact CG2-CG 3.99Å; I219-H255 WeakPolarHBondContact CD1-O 3.38Å; I219-L256 HydrophobicContact CD1-CB 4.32Å; I219-L256 HydrophobicContact CD1-CD2 4.46Å; I219-L256 HydrophobicContact CD1-CG 3.79Å; I219-L256 VanDerWaalsContact CD1-N 3.32Å | |
| 220 | S | 73.4 | Confident | 73.5 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -64.8 | -16.8 | -175.5 | 63.3 | 0 | 0 | 0 | 0 | 114 | D218 | D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact O-N 2.78Å; D218-S220 WeakPolarHBondContact OD1-CB 3.49Å; D218-S220 PolarHBondContact OD1-N 2.86Å; D218-S220 PolarHBondContact OD1-OG 3.49Å; D218-S220 PolarHBondContact OD2-OG 3.37Å; D218-S220 VanDerWaalsContact OD2-OG 3.08Å |
| 221 | K | 78 | Confident | 74.3 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 27% | 0.265 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -91.9 | -4.1 | 177.4 | -63.3 | -166.3 | 176.1 | -164.9 | 0 | 113.9 | Q196 D198 D218 I219 | Q196-K221 HydrophobicContact CB-CB 4.02Å; Q196-K221 HydrophobicContact CB-CG 4.44Å; Q196-K221 WeakPolarHBondContact CB-O 3.38Å; Q196-K221 PolarHBondContact N-O 2.93Å; D198-K221 IonicContact OD1-NZ 3.02Å; D198-K221 PolarHBondContact OD1-NZ 2.78Å; D198-K221 IonicContact OD2-NZ 3.47Å; D218-K221 HydrophobicContact CB-CG 4.35Å; D218-K221 WeakPolarHBondContact O-CA 3.25Å; D218-K221 WeakPolarHBondContact O-CB 3.4Å; D218-K221 PolarHBondContact O-N 3.34Å; I219-K221 PolarHBondContact O-N 2.96Å |
| 222 | L | 78.4 | Confident | 74.7 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.3 | -175.2 | -60.1 | 178.9 | 0 | 0 | 0 | 112.6 | I193 L194 E195 L217 I219 L254 | I193-L222 HydrophobicContact CG2-CB 4.27Å; I193-L222 HydrophobicContact CG2-CD2 4.02Å; L194-L222 WeakPolarHBondContact O-CA 3.19Å; E195-L222 HydrophobicContact CB-CD2 4.06Å; E195-L222 HydrophobicContact CG-CD2 4.28Å; L217-L222 HydrophobicContact CB-CD1 4.05Å; L217-L222 HydrophobicContact CB-CD2 4.3Å; L217-L222 HydrophobicContact CB-CG 4.42Å; L217-L222 HydrophobicContact CD1-CD2 4.13Å; I219-L222 PolarHBondContact O-N 2.79Å; L222-L254 HydrophobicContact CD1-CD1 3.6Å; L222-L254 HydrophobicContact CD1-CD2 3.55Å; L222-L254 HydrophobicContact CD1-CG 4.18Å |
| 223 | I | 77.8 | Confident | 75 | Confident | 37 Ų | 37 | 58 Ų | 58 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.5 | -178.8 | -55.4 | 177.1 | 0 | 0 | 0 | 109 | F168 F169 I193 L194 F204 V225 | F168-I223 HydrophobicContact CE1-CD1 3.8Å; F169-I223 HydrophobicContact CE1-CD1 3.52Å; F169-I223 HydrophobicContact CZ-CD1 3.35Å; F169-I223 HydrophobicContact CZ-CG2 4.39Å; I193-I223 CarbonylContact C-O 3.53Å; I193-I223 WeakPolarHBondContact CA-O 3.26Å; L194-I223 HydrophobicContact CB-CB 4.23Å; L194-I223 PolarHBondContact N-O 3.15Å; L194-I223 PolarHBondContact O-N 2.74Å; F204-I223 HydrophobicContact CE1-CD1 3.99Å; I223-V225 HydrophobicContact CG2-CG2 4.49Å |
| 224 | V | 78.1 | Confident | 75.2 | Confident | 61 Ų | 61 | 56 Ų | 56 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | F209 L243 W247 | F209-V224 HydrophobicContact CZ-CG1 3.97Å; V224-L243 HydrophobicContact CG1-CD2 4.07Å; V224-W247 HydrophobicContact CB-CZ3 4.32Å; V224-W247 HydrophobicContact CG1-CE3 4.37Å; V224-W247 HydrophobicContact CG1-CZ3 4.2Å; V224-W247 HydrophobicContact CG2-CD2 4.31Å; V224-W247 HydrophobicContact CG2-CE3 3.7Å; V224-W247 HydrophobicContact CG2-CH2 3.31Å; V224-W247 HydrophobicContact CG2-CZ2 3.92Å; V224-W247 HydrophobicContact CG2-CZ3 3.17Å |
| 225 | V | 79.4 | Confident | 75.9 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 11% | 0.109 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.1 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | H191 F192 L194 I223 | H191-V225 CarbonylContact C-O 3.55Å; H191-V225 WeakPolarHBondContact CA-O 3.46Å; H191-V225 VanDerWaalsContact CB-O 3.27Å; H191-V225 WeakPolarHBondContact CB-O 3.47Å; F192-V225 HydrophobicContact CD1-CB 4.41Å; F192-V225 HydrophobicContact CD2-CB 4.04Å; F192-V225 HydrophobicContact CD2-CG2 4.25Å; F192-V225 HydrophobicContact CE1-CB 4.06Å; F192-V225 HydrophobicContact CE1-CG1 3.84Å; F192-V225 HydrophobicContact CE2-CB 3.66Å; F192-V225 HydrophobicContact CE2-CG1 4.01Å; F192-V225 HydrophobicContact CE2-CG2 3.71Å; F192-V225 HydrophobicContact CG-CB 4.4Å; F192-V225 HydrophobicContact CZ-CB 3.67Å; F192-V225 HydrophobicContact CZ-CG1 3.5Å; F192-V225 HydrophobicContact CZ-CG2 4.09Å; F192-V225 PolarHBondContact N-O 3.48Å; F192-V225 PolarHBondContact O-N 3.34Å; L194-V225 HydrophobicContact CD1-CG2 3.59Å; L194-V225 HydrophobicContact CG-CG2 3.85Å; I223-V225 HydrophobicContact CG2-CG2 4.49Å |
| 226 | C | 80.4 | Confident | 76.7 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.5 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | H191 D228 L243 | H191-C226 HydrophobicContact CB-CB 4.25Å; C226-D228 PolarHBondContact O-N 3.26Å; C226-D228 VanDerWaalsContact O-N 3.1Å; C226-L243 HydrophobicContact CB-CD2 3.65Å |
| 227 | C | 81.1 | Confident | 77.2 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 8% | 0.081 | 25% | 0.252 | C | S | . | . | trans | -78.1 | 92.5 | 173.5 | -60.2 | 0 | 0 | 0 | 0 | 109.5 | Y78 N190 P229 | Y78-C227 HydrophobicContact CD1-CB 4.17Å; Y78-C227 HydrophobicContact CD2-CB 3.82Å; Y78-C227 HydrophobicContact CE1-CB 3.97Å; Y78-C227 WeakPolarHBondContact CE1-SG 3.45Å; Y78-C227 HydrophobicContact CE2-CB 3.58Å; Y78-C227 HydrophobicContact CG-CB 4.12Å; Y78-C227 PolarHBondContact OH-SG 3.34Å; N190-C227 PolarHBondContact O-N 3.05Å; C227-P229 WeakPolarHBondContact O-CD 3.45Å | ||
| 228 | D | 83.6 | Confident | 77.8 | Confident | 44 Ų | 44 | 43.1 Ų | 43.1 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | trans | -79.1 | 118.4 | 178.8 | -170.1 | -2.2 | 0 | 0 | 0 | 111.3 | N50 C226 S230 P236 G237 V240 | N50-D228 WeakPolarHBondContact CB-O 3.03Å; C226-D228 PolarHBondContact O-N 3.26Å; C226-D228 VanDerWaalsContact O-N 3.1Å; D228-S230 PolarHBondContact O-N 3.5Å; D228-S230 VanDerWaalsContact OD1-CB 3.25Å; D228-S230 WeakPolarHBondContact OD1-CB 3.13Å; D228-S230 PolarHBondContact OD1-N 3.46Å; D228-P236 VanDerWaalsContact OD2-CA 3.24Å; D228-P236 WeakPolarHBondContact OD2-CA 3.3Å; D228-G237 VanDerWaalsContact CG-N 3.33Å; D228-G237 WeakPolarHBondContact OD1-CA 2.95Å; D228-G237 PolarHBondContact OD1-N 2.67Å; D228-G237 PolarHBondContact OD2-N 3.42Å; D228-V240 HydrophobicContact CB-CG2 3.99Å | ||
| 229 | P | 86.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | trans | -74.5 | -6.5 | 173.9 | 32.8 | -37.9 | 0 | 0 | 0 | 113.6 | F15 Y48 T49 P58 C227 T231 P239 | F15-P229 HydrophobicContact CE1-CB 3.97Å; F15-P229 HydrophobicContact CE1-CG 3.68Å; F15-P229 HydrophobicContact CZ-CB 4.47Å; F15-P229 HydrophobicContact CZ-CG 3.76Å; Y48-P229 HydrophobicContact CD2-CB 3.74Å; Y48-P229 HydrophobicContact CD2-CG 4.06Å; Y48-P229 HydrophobicContact CE2-CB 4.42Å; Y48-P229 HydrophobicContact CE2-CG 4.36Å; Y48-P229 HydrophobicContact CG-CB 4.4Å; T49-P229 WeakPolarHBondContact O-CA 3.41Å; P58-P229 HydrophobicContact CB-CB 3.93Å; P58-P229 HydrophobicContact CB-CG 4.01Å; C227-P229 WeakPolarHBondContact O-CD 3.45Å; P229-T231 PolarHBondContact O-N 3.29Å; P229-P239 HydrophobicContact CG-CG 3.77Å | ||
| 230 | S | 83.3 | Confident | 78.8 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | trans | -68.5 | 125.6 | 176 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | D228 D232 S235 | D228-S230 PolarHBondContact O-N 3.5Å; D228-S230 VanDerWaalsContact OD1-CB 3.25Å; D228-S230 WeakPolarHBondContact OD1-CB 3.13Å; D228-S230 PolarHBondContact OD1-N 3.46Å; S230-D232 VanDerWaalsContact C-N 3.27Å; S230-D232 PolarHBondContact OG-N 3.12Å; S230-D232 PolarHBondContact OG-O 2.99Å; S230-S235 VanDerWaalsContact CB-O 3.25Å; S230-S235 WeakPolarHBondContact CB-O 3.5Å; S230-S235 PolarHBondContact OG-O 3.42Å | ||
| 231 | T | 82.2 | Confident | 79 | Confident | 31 Ų | 31 | 35.8 Ų | 35.8 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | trans | -85.9 | -5 | 168.2 | 73 | 0 | 0 | 0 | 0 | 111.8 | D52 G55 L56 P229 | D52-T231 HydrophobicContact CB-CG2 3.88Å; D52-T231 WeakPolarHBondContact O-CG2 3.07Å; G55-T231 PolarHBondContact N-OG1 3.32Å; G55-T231 VanDerWaalsContact N-OG1 3.08Å; L56-T231 PolarHBondContact N-OG1 3.38Å; L56-T231 WeakPolarHBondContact O-CG2 3.26Å; L56-T231 PolarHBondContact O-OG1 2.9Å; P229-T231 PolarHBondContact O-N 3.29Å | ||
| 232 | D | 76.9 | Confident | 79.2 | Confident | 74 Ų | 74 | 32.9 Ų | 32.9 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | trans | -88.5 | 114.7 | 173.7 | 179.8 | 11.4 | 0 | 0 | 0 | 110.4 | S230 C234 S235 | S230-D232 VanDerWaalsContact C-N 3.27Å; S230-D232 PolarHBondContact OG-N 3.12Å; S230-D232 PolarHBondContact OG-O 2.99Å; D232-C234 PolarHBondContact O-N 3.38Å; D232-C234 PolarHBondContact OD1-N 3.23Å; D232-S235 PolarHBondContact O-N 3.18Å; D232-S235 WeakPolarHBondContact OD2-CB 3.31Å; D232-S235 PolarHBondContact OD2-OG 3.02Å | ||
| 233 | L | 73 | Confident | 79.3 | Confident | 113 Ų | 113 | 32 Ų | 32 | 59% | 0.592 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.8 | 179 | -66.2 | 170 | 0 | 0 | 0 | 113.4 | ||
| 234 | C | 72.8 | Confident | 79.3 | Confident | 89 Ų | 89 | 34.3 Ų | 34.3 | 60% | 0.601 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -19.7 | -177.1 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | D232 | D232-C234 PolarHBondContact O-N 3.38Å; D232-C234 PolarHBondContact OD1-N 3.23Å |
| 235 | S | 76.1 | Confident | 79.2 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -128.7 | 107.1 | -170.8 | -51.1 | 0 | 0 | 0 | 0 | 109.7 | A11 S230 D232 | A11-S235 WeakPolarHBondContact O-CA 2.88Å; A11-S235 WeakPolarHBondContact O-CB 3.46Å; S230-S235 VanDerWaalsContact CB-O 3.25Å; S230-S235 WeakPolarHBondContact CB-O 3.5Å; S230-S235 PolarHBondContact OG-O 3.42Å; D232-S235 PolarHBondContact O-N 3.18Å; D232-S235 WeakPolarHBondContact OD2-CB 3.31Å; D232-S235 PolarHBondContact OD2-OG 3.02Å |
| 236 | P | 78.7 | Confident | 79.1 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 13% | 0.13 | 17% | 0.173 | C | C | . | . | trans | -64 | 150.9 | 178.8 | 26.5 | -35.5 | 0 | 0 | 0 | 111.7 | V10 A11 V12 A13 D228 V240 | V10-P236 HydrophobicContact CG1-CG 3.56Å; A11-P236 WeakPolarHBondContact O-CD 3.3Å; V12-P236 CarbonylContact C-O 3.55Å; V12-P236 VanDerWaalsContact CA-O 3.26Å; V12-P236 WeakPolarHBondContact CA-O 3.35Å; V12-P236 WeakPolarHBondContact CG1-O 3.46Å; A13-P236 PolarHBondContact N-O 3.11Å; D228-P236 VanDerWaalsContact OD2-CA 3.24Å; D228-P236 WeakPolarHBondContact OD2-CA 3.3Å; P236-V240 HydrophobicContact CB-CB 3.82Å; P236-V240 HydrophobicContact CB-CG1 3.85Å; P236-V240 HydrophobicContact CB-CG2 4.01Å; P236-V240 HydrophobicContact CG-CG1 4.49Å | ||
| 237 | G | 77.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -72.4 | 166.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | D228 P239 V240 | D228-G237 VanDerWaalsContact CG-N 3.33Å; D228-G237 WeakPolarHBondContact OD1-CA 2.95Å; D228-G237 PolarHBondContact OD1-N 2.67Å; D228-G237 PolarHBondContact OD2-N 3.42Å; G237-P239 VanDerWaalsContact C-N 3.29Å; G237-P239 VanDerWaalsContact O-N 3.16Å; G237-V240 PolarHBondContact O-N 2.96Å; G237-V240 VanDerWaalsContact O-N 3.11Å |
| 238 | W | 78.7 | Confident | 78.1 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -46.6 | -41.3 | 177.5 | -164.9 | -88.5 | 0 | 0 | 0 | 115.4 | A13 F15 H147 V149 V240 R241 | A13-W238 PolarHBondContact O-N 3.49Å; F15-W238 HydrophobicContact CD2-CB 3.61Å; F15-W238 AromaticContact CD2-CG 3.95Å; F15-W238 HydrophobicContact CD2-CG 3.95Å; F15-W238 HydrophobicContact CE2-CB 3.7Å; F15-W238 HydrophobicContact CE2-CG 4.2Å; F15-W238 HydrophobicContact CG-CB 4.49Å; H147-W238 HydrophobicContact CB-CD2 4.28Å; H147-W238 HydrophobicContact CB-CH2 4.08Å; H147-W238 HydrophobicContact CB-CZ2 3.49Å; H147-W238 VanDerWaalsContact CB-CZ2 3.49Å; H147-W238 WeakPolarHBondContact O-CZ2 3.13Å; V149-W238 HydrophobicContact CB-CH2 3.73Å; V149-W238 HydrophobicContact CB-CZ2 3.38Å; V149-W238 HydrophobicContact CG1-CZ2 4.39Å; V149-W238 HydrophobicContact CG2-CH2 3.06Å; V149-W238 HydrophobicContact CG2-CZ2 3.24Å; V149-W238 HydrophobicContact CG2-CZ3 4.11Å; W238-V240 PolarHBondContact O-N 2.94Å; W238-R241 WeakPolarHBondContact O-CB 3.44Å; W238-R241 PolarHBondContact O-N 2.9Å |
| 239 | P | 79.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 178.5 | -29.8 | 41 | 0 | 0 | 0 | 113.8 | F15 Y48 Y126 P229 G237 R241 N242 L243 | F15-P239 HydrophobicContact CE2-CG 3.84Å; F15-P239 HydrophobicContact CZ-CG 3.58Å; Y48-P239 HydrophobicContact CE1-CG 4.46Å; Y48-P239 HydrophobicContact CE2-CG 4.17Å; Y126-P239 HydrophobicContact CD1-CB 3.69Å; Y126-P239 HydrophobicContact CD1-CG 4.23Å; Y126-P239 HydrophobicContact CE1-CB 3.38Å; Y126-P239 HydrophobicContact CE1-CG 4.38Å; Y126-P239 WeakPolarHBondContact CE1-O 3.46Å; Y126-P239 HydrophobicContact CG-CB 4.47Å; P229-P239 HydrophobicContact CG-CG 3.77Å; G237-P239 VanDerWaalsContact C-N 3.29Å; G237-P239 VanDerWaalsContact O-N 3.16Å; P239-R241 PolarHBondContact O-N 2.93Å; P239-N242 PolarHBondContact O-N 2.92Å; P239-L243 PolarHBondContact O-N 3.14Å |
| 240 | V | 80.1 | Confident | 76.1 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -37.1 | -177.6 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | D228 P236 G237 W238 L243 M244 | D228-V240 HydrophobicContact CB-CG2 3.99Å; P236-V240 HydrophobicContact CB-CB 3.82Å; P236-V240 HydrophobicContact CB-CG1 3.85Å; P236-V240 HydrophobicContact CB-CG2 4.01Å; P236-V240 HydrophobicContact CG-CG1 4.49Å; G237-V240 PolarHBondContact O-N 2.96Å; G237-V240 VanDerWaalsContact O-N 3.11Å; W238-V240 PolarHBondContact O-N 2.94Å; V240-L243 PolarHBondContact O-N 3.42Å; V240-M244 HydrophobicContact CG1-CG 4.26Å; V240-M244 HydrophobicContact CG1-SD 4.09Å; V240-M244 WeakPolarHBondContact O-CB 3.5Å; V240-M244 VanDerWaalsContact O-CG 3.27Å; V240-M244 WeakPolarHBondContact O-CG 3.41Å; V240-M244 PolarHBondContact O-N 3.1Å |
| 241 | R | 77.7 | Confident | 74.7 | Confident | 48 Ų | 48 | 39.9 Ų | 39.9 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 178.9 | -176.5 | -177 | -177.8 | 160.9 | -1.7 | 112.9 | V12 V149 M156 W238 P239 L243 M244 A245 | V12-R241 HydrophobicContact CG1-CB 3.97Å; V12-R241 HydrophobicContact CG2-CB 4.12Å; V12-R241 HydrophobicContact CG2-CG 4.27Å; V149-R241 VanDerWaalsContact CG1-NE 3.31Å; M156-R241 HydrophobicContact CE-CG 4.32Å; W238-R241 WeakPolarHBondContact O-CB 3.44Å; W238-R241 PolarHBondContact O-N 2.9Å; P239-R241 PolarHBondContact O-N 2.93Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-M244 PolarHBondContact O-N 3.2Å; R241-A245 PolarHBondContact O-N 3.5Å |
| 242 | N | 81.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -34.6 | -180 | -75.6 | -2.4 | 0 | 0 | 0 | 110.9 | L125 P239 A245 A246 | L125-N242 HydrophobicContact CB-CB 4.42Å; L125-N242 PolarHBondContact O-ND2 2.92Å; P239-N242 PolarHBondContact O-N 2.92Å; N242-A245 PolarHBondContact O-N 2.95Å; N242-A246 WeakPolarHBondContact O-CB 3.38Å; N242-A246 PolarHBondContact O-N 3.39Å |
| 243 | L | 80.3 | Confident | 71.6 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 172.7 | -178.3 | 62.6 | 0 | 0 | 0 | 112 | W118 L125 H191 F209 V224 C226 P239 V240 R241 A245 A246 W247 | W118-L243 HydrophobicContact CH2-CD1 4.37Å; W118-L243 HydrophobicContact CZ3-CD1 3.95Å; L125-L243 HydrophobicContact CD1-CD1 4.07Å; H191-L243 HydrophobicContact CB-CD1 4.42Å; H191-L243 HydrophobicContact CB-CD2 3.82Å; H191-L243 VanDerWaalsContact CD2-CD1 3.4Å; H191-L243 WeakPolarHBondContact CD2-CD1 3.25Å; F209-L243 HydrophobicContact CE1-CD1 4.28Å; F209-L243 HydrophobicContact CZ-CD1 4.12Å; V224-L243 HydrophobicContact CG1-CD2 4.07Å; C226-L243 HydrophobicContact CB-CD2 3.65Å; P239-L243 PolarHBondContact O-N 3.14Å; V240-L243 PolarHBondContact O-N 3.42Å; R241-L243 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 3.28Å; L243-A246 WeakPolarHBondContact O-CB 3.39Å; L243-A246 PolarHBondContact O-N 3.45Å; L243-W247 WeakPolarHBondContact O-CB 3.4Å; L243-W247 PolarHBondContact O-N 2.97Å |
| 244 | M | 77.1 | Confident | 70.1 | Confident | 84 Ų | 84 | 35.1 Ų | 35.1 | 41% | 0.414 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.5 | -72.2 | -179.4 | 80.3 | 0 | 0 | 112.2 | M156 V240 R241 A246 W247 A248 | M156-M244 HydrophobicContact SD-CB 4.24Å; M156-M244 HydrophobicContact SD-CE 3.66Å; M156-M244 HydrophobicContact SD-SD 3.73Å; V240-M244 HydrophobicContact CG1-CG 4.26Å; V240-M244 HydrophobicContact CG1-SD 4.09Å; V240-M244 WeakPolarHBondContact O-CB 3.5Å; V240-M244 VanDerWaalsContact O-CG 3.27Å; V240-M244 WeakPolarHBondContact O-CG 3.41Å; V240-M244 PolarHBondContact O-N 3.1Å; R241-M244 PolarHBondContact O-N 3.2Å; M244-A246 VanDerWaalsContact C-N 3.34Å; M244-W247 PolarHBondContact O-N 3.36Å; M244-A248 PolarHBondContact O-N 3.41Å |
| 245 | A | 75.9 | Confident | 68.1 | Low | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V150 R241 N242 L243 A249 | V150-A245 HydrophobicContact CB-CB 4.25Å; V150-A245 HydrophobicContact CG1-CB 3.92Å; R241-A245 PolarHBondContact O-N 3.5Å; N242-A245 PolarHBondContact O-N 2.95Å; L243-A245 PolarHBondContact O-N 3.28Å; A245-A249 WeakPolarHBondContact O-CB 3.48Å; A245-A249 PolarHBondContact O-N 2.91Å; A245-A249 VanDerWaalsContact O-N 3.1Å |
| 246 | A | 77.5 | Confident | 66.1 | Low | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I113 W118 L125 N242 L243 M244 A248 A249 F250 | I113-A246 HydrophobicContact CD1-CB 3.79Å; I113-A246 HydrophobicContact CG1-CB 3.74Å; I113-A246 HydrophobicContact CG2-CB 4.19Å; W118-A246 HydrophobicContact CD2-CB 4.3Å; W118-A246 HydrophobicContact CH2-CB 4.07Å; W118-A246 HydrophobicContact CZ2-CB 3.78Å; W118-A246 HydrophobicContact CZ3-CB 4.47Å; L125-A246 HydrophobicContact CD1-CB 4.1Å; L125-A246 HydrophobicContact CD2-CB 4.04Å; N242-A246 WeakPolarHBondContact O-CB 3.38Å; N242-A246 PolarHBondContact O-N 3.39Å; L243-A246 WeakPolarHBondContact O-CB 3.39Å; L243-A246 PolarHBondContact O-N 3.45Å; M244-A246 VanDerWaalsContact C-N 3.34Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.97Å; A246-A249 PolarHBondContact O-N 3.32Å; A246-F250 PolarHBondContact O-N 2.99Å |
| 247 | W | 73.1 | Confident | 63.7 | Low | 60 Ų | 60 | 49.2 Ų | 49.2 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.6 | -169.2 | -79.7 | 0 | 0 | 0 | 111.7 | I193 F209 V224 L243 M244 L254 | I193-W247 HydrophobicContact CD1-CH2 3.71Å; I193-W247 HydrophobicContact CD1-CZ3 3.71Å; I193-W247 HydrophobicContact CG1-CH2 4.11Å; I193-W247 HydrophobicContact CG1-CZ3 3.94Å; F209-W247 HydrophobicContact CD1-CE3 4.31Å; F209-W247 AromaticContact CD1-CZ3 3.96Å; F209-W247 HydrophobicContact CD1-CZ3 3.96Å; F209-W247 AromaticContact CE1-CE3 3.49Å; F209-W247 HydrophobicContact CE1-CE3 3.49Å; F209-W247 VanDerWaalsContact CE1-CE3 3.49Å; F209-W247 AromaticContact CE1-CZ3 3.27Å; F209-W247 HydrophobicContact CE1-CZ3 3.27Å; F209-W247 HydrophobicContact CZ-CE3 4.3Å; F209-W247 AromaticContact CZ-CZ3 3.94Å; F209-W247 HydrophobicContact CZ-CZ3 3.94Å; V224-W247 HydrophobicContact CB-CZ3 4.32Å; V224-W247 HydrophobicContact CG1-CE3 4.37Å; V224-W247 HydrophobicContact CG1-CZ3 4.2Å; V224-W247 HydrophobicContact CG2-CD2 4.31Å; V224-W247 HydrophobicContact CG2-CE3 3.7Å; V224-W247 HydrophobicContact CG2-CH2 3.31Å; V224-W247 HydrophobicContact CG2-CZ2 3.92Å; V224-W247 HydrophobicContact CG2-CZ3 3.17Å; L243-W247 WeakPolarHBondContact O-CB 3.4Å; L243-W247 PolarHBondContact O-N 2.97Å; M244-W247 PolarHBondContact O-N 3.36Å; W247-L254 HydrophobicContact CZ2-CD1 3.85Å |
| 248 | A | 68.4 | Low | 61.4 | Low | 40 Ų | 40 | 53.8 Ų | 53.8 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y152 M244 A246 | Y152-A248 HydrophobicContact CD2-CB 4.01Å; Y152-A248 HydrophobicContact CE2-CB 3.47Å; Y152-A248 VanDerWaalsContact CE2-CB 3.47Å; M244-A248 PolarHBondContact O-N 3.41Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 2.97Å |
| 249 | A | 66.8 | Low | 59.1 | Low | 34 Ų | 34 | 59.7 Ų | 59.7 | 28% | 0.281 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | W110 I113 A245 A246 S251 | W110-A249 HydrophobicContact CH2-CB 3.51Å; W110-A249 HydrophobicContact CZ2-CB 4.5Å; W110-A249 HydrophobicContact CZ3-CB 3.73Å; I113-A249 HydrophobicContact CG2-CB 3.47Å; I113-A249 VanDerWaalsContact CG2-CB 3.47Å; A245-A249 WeakPolarHBondContact O-CB 3.48Å; A245-A249 PolarHBondContact O-N 2.91Å; A245-A249 VanDerWaalsContact O-N 3.1Å; A246-A249 PolarHBondContact O-N 3.32Å; A249-S251 VanDerWaalsContact C-N 3.26Å; A249-S251 PolarHBondContact O-N 3.18Å |
| 250 | F | 60.9 | Low | 57.1 | Low | 68 Ų | 68 | 63.5 Ų | 63.5 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.1 | -172.5 | -115.6 | -73.2 | 0 | 0 | 0 | 114.8 | I113 G116 W118 L119 A246 L252 | I113-F250 WeakPolarHBondContact O-CD2 3.33Å; I113-F250 WeakPolarHBondContact O-CE2 3.34Å; G116-F250 VanDerWaalsContact CA-CZ 3.41Å; W118-F250 HydrophobicContact CZ2-CD2 4.22Å; W118-F250 AromaticContact NE1-CD2 3.41Å; W118-F250 AromaticContact NE1-CE2 3.36Å; L119-F250 HydrophobicContact CD1-CE2 4.35Å; L119-F250 HydrophobicContact CD1-CZ 4.19Å; A246-F250 PolarHBondContact O-N 2.99Å; F250-L252 HydrophobicContact CB-CB 4.41Å; F250-L252 HydrophobicContact CB-CD1 4.01Å; F250-L252 HydrophobicContact CB-CG 4.11Å; F250-L252 PolarHBondContact O-N 3.11Å |
| 251 | S | 53.2 | Low | 55.1 | Low | 97 Ų | 97 | 67.1 Ų | 67.1 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.6 | 38.2 | -171.9 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | A249 V253 | A249-S251 VanDerWaalsContact C-N 3.26Å; A249-S251 PolarHBondContact O-N 3.18Å; S251-V253 VanDerWaalsContact O-CA 3.31Å; S251-V253 WeakPolarHBondContact O-CA 3.29Å; S251-V253 PolarHBondContact O-N 2.6Å |
| 252 | L | 50.5 | Low | 53.5 | Low | 27 Ų | 27 | 70.7 Ų | 70.7 | 14% | 0.141 | 43% | 0.429 | C | S | . | . | trans | -57.5 | 119.2 | -171.1 | -114.8 | 155.6 | 0 | 0 | 0 | 105.6 | L119 F209 A214 F250 L254 | L119-L252 HydrophobicContact CD2-CD1 4.34Å; F209-L252 HydrophobicContact CD1-CD1 4.46Å; A214-L252 HydrophobicContact CB-CD2 4.2Å; F250-L252 HydrophobicContact CB-CB 4.41Å; F250-L252 HydrophobicContact CB-CD1 4.01Å; F250-L252 HydrophobicContact CB-CG 4.11Å; F250-L252 PolarHBondContact O-N 3.11Å; L252-L254 VanDerWaalsContact C-N 3.3Å; L252-L254 WeakPolarHBondContact O-CB 3.46Å; L252-L254 PolarHBondContact O-N 3.49Å | ||
| 253 | V | 43.6 | Very low | 51.6 | Low | 63 Ų | 63 | 75.3 Ų | 75.3 | 38% | 0.382 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -62.4 | 84.9 | -141.9 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | A214 K215 S251 | A214-V253 VanDerWaalsContact O-O 3.11Å; K215-V253 VanDerWaalsContact CA-CG1 3.43Å; K215-V253 HydrophobicContact CB-CB 3.88Å; K215-V253 HydrophobicContact CB-CG1 3.66Å; K215-V253 HydrophobicContact CB-CG2 4.29Å; K215-V253 HydrophobicContact CD-CG2 4.08Å; K215-V253 HydrophobicContact CG-CB 3.76Å; K215-V253 HydrophobicContact CG-CG1 4.03Å; K215-V253 HydrophobicContact CG-CG2 3.69Å; K215-V253 VanDerWaalsContact O-CG1 3.24Å; K215-V253 WeakPolarHBondContact O-CG1 3.48Å; S251-V253 VanDerWaalsContact O-CA 3.31Å; S251-V253 WeakPolarHBondContact O-CA 3.29Å; S251-V253 PolarHBondContact O-N 2.6Å |
| 254 | L | 42 | Very low | 50.2 | Low | 27 Ų | 27 | 78.6 Ų | 78.6 | 14% | 0.141 | 47% | 0.474 | C | S | . | . | trans | -142.3 | 99.2 | -176.4 | -72.1 | 167.4 | 0 | 0 | 0 | 104.2 | L217 I219 L222 W247 L252 L256 | L217-L254 WeakPolarHBondContact O-CD2 3.41Å; I219-L254 HydrophobicContact CB-CB 4.22Å; I219-L254 HydrophobicContact CB-CD2 3.79Å; I219-L254 HydrophobicContact CB-CG 4.41Å; I219-L254 HydrophobicContact CD1-CB 3.55Å; I219-L254 HydrophobicContact CD1-CD2 4.41Å; I219-L254 HydrophobicContact CG1-CB 3.53Å; I219-L254 HydrophobicContact CG1-CD2 3.42Å; I219-L254 VanDerWaalsContact CG1-CD2 3.42Å; I219-L254 HydrophobicContact CG1-CG 4Å; I219-L254 HydrophobicContact CG2-CB 3.87Å; I219-L254 HydrophobicContact CG2-CD1 3.77Å; I219-L254 HydrophobicContact CG2-CD2 3.77Å; I219-L254 HydrophobicContact CG2-CG 3.99Å; L222-L254 HydrophobicContact CD1-CD1 3.6Å; L222-L254 HydrophobicContact CD1-CD2 3.55Å; L222-L254 HydrophobicContact CD1-CG 4.18Å; W247-L254 HydrophobicContact CZ2-CD1 3.85Å; L252-L254 VanDerWaalsContact C-N 3.3Å; L252-L254 WeakPolarHBondContact O-CB 3.46Å; L252-L254 PolarHBondContact O-N 3.49Å; L254-L256 PolarHBondContact O-N 2.96Å | ||
| 255 | H | 30.8 | Very low | 49 | Very low | 192 Ų | 192 | 79.7 Ų | 79.7 | 89% | 0.889 | 48% | 0.481 | S | S | * | . | trans | -62.6 | 71 | 177.2 | -119.7 | -56.3 | 0 | 0 | 0 | 110.1 | I219 S257 | I219-H255 WeakPolarHBondContact CD1-O 3.38Å; H255-S257 PolarHBondContact O-N 3.47Å; H255-S257 VanDerWaalsContact O-N 3.12Å | ||
| 256 | L | 33.5 | Very low | 47.8 | Very low | 115 Ų | 115 | 86.3 Ų | 86.3 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | trans | -66.2 | 112.8 | 164 | -90.8 | 159 | 0 | 0 | 0 | 105.2 | I219 L254 C258 | I219-L256 HydrophobicContact CD1-CB 4.32Å; I219-L256 HydrophobicContact CD1-CD2 4.46Å; I219-L256 HydrophobicContact CD1-CG 3.79Å; I219-L256 VanDerWaalsContact CD1-N 3.32Å; L254-L256 PolarHBondContact O-N 2.96Å; L256-C258 PolarHBondContact O-N 3.09Å | ||
| 257 | S | 28.5 | Very low | 46.4 | Very low | 120 Ų | 120 | 90.7 Ų | 90.7 | 84% | 0.839 | 54% | 0.539 | S | S | * | . | trans | -59.8 | 75.3 | 163.4 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | H255 | H255-S257 PolarHBondContact O-N 3.47Å; H255-S257 VanDerWaalsContact O-N 3.12Å | ||
| 258 | C | 30.7 | Very low | 45.2 | Very low | 96 Ų | 96 | 89.6 Ų | 89.6 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | trans | -126.9 | 108.8 | 162.7 | -79.4 | 0 | 0 | 0 | 0 | 102.9 | L256 A260 | L256-C258 PolarHBondContact O-N 3.09Å; C258-A260 PolarHBondContact O-N 2.94Å | ||
| 259 | T | 28.8 | Very low | 44.5 | Very low | 146 Ų | 146 | 90.7 Ų | 90.7 | 90% | 0.896 | 54% | 0.54 | S | S | * | . | trans | -60 | 75.2 | 165.1 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 260 | A | 37.4 | Very low | 43.8 | Very low | 79 Ų | 79 | 97.8 Ų | 97.8 | 65% | 0.653 | 56% | 0.56 | S | S | * | * | trans | -80.2 | 125.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | C258 | C258-A260 PolarHBondContact O-N 2.94Š| ||
| 261 | P | 38.1 | Very low | 43.7 | Very low | 101 Ų | 101 | 96.5 Ų | 96.5 | 66% | 0.656 | 55% | 0.554 | S | S | * | * | trans | -53.8 | 147.9 | 172.7 | -14 | 25.1 | 0 | 0 | 0 | 108.8 | M263 | P261-M263 VanDerWaalsContact C-N 3.34Å; P261-M263 WeakPolarHBondContact O-CG 3.37Å; P261-M263 PolarHBondContact O-N 3.18Å | ||
| 262 | S | 44.7 | Very low | 43.9 | Very low | 123 Ų | 123 | 96.5 Ų | 96.5 | 86% | 0.86 | 55% | 0.546 | S | S | * | . | trans | -49.4 | 101.1 | 164.5 | 54.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 263 | M | 42.6 | Very low | 44.2 | Very low | 97 Ų | 97 | 98 Ų | 98 | 48% | 0.478 | 56% | 0.557 | S | S | . | * | trans | -86.9 | 124.7 | -175.7 | -82.3 | -83.9 | -85 | 0 | 0 | 108.2 | P153 P261 L267 | P153-M263 HydrophobicContact CB-CE 3.82Å; P153-M263 HydrophobicContact CG-CE 3.87Å; P261-M263 VanDerWaalsContact C-N 3.34Å; P261-M263 WeakPolarHBondContact O-CG 3.37Å; P261-M263 PolarHBondContact O-N 3.18Å; M263-L267 HydrophobicContact CE-CB 4.06Å; M263-L267 HydrophobicContact CE-CD1 4.33Å; M263-L267 HydrophobicContact SD-CD1 4.11Å | ||
| 264 | P | 49.4 | Very low | 45.3 | Very low | 76 Ų | 76 | 95.6 Ų | 95.6 | 49% | 0.494 | 55% | 0.545 | S | S | . | . | trans | -54.8 | 138.9 | 172.1 | -19.7 | 28.1 | 0 | 0 | 0 | 110.8 | D266 L267 | P264-D266 PolarHBondContact O-N 2.94Å; P264-L267 HydrophobicContact CG-CD1 4.34Å; P264-L267 PolarHBondContact O-N 3.23Å | ||
| 265 | D | 52.6 | Low | 46.9 | Very low | 107 Ų | 107 | 95.3 Ų | 95.3 | 57% | 0.572 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -48 | -26.4 | 176 | -107.8 | -53 | 0 | 0 | 0 | 113.2 | K114 L267 | K114-D265 IonicContact NZ-OD1 2.85Å; K114-D265 PolarHBondContact NZ-OD1 3.42Å; D265-L267 PolarHBondContact O-N 2.88Å |
| 266 | D | 51.6 | Low | 49.1 | Very low | 145 Ų | 145 | 87.1 Ų | 87.1 | 78% | 0.775 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -75.9 | -17 | -173.3 | -61.7 | -24.7 | 0 | 0 | 0 | 114.7 | P264 | P264-D266 PolarHBondContact O-N 2.94Š|
| 267 | L | 47.2 | Very low | 51 | Low | 91 Ų | 91 | 89.7 Ų | 89.7 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -85.8 | -15.2 | -173.8 | -92.9 | 154.6 | 0 | 0 | 0 | 114.8 | M263 P264 D265 V269 | M263-L267 HydrophobicContact CE-CB 4.06Å; M263-L267 HydrophobicContact CE-CD1 4.33Å; M263-L267 HydrophobicContact SD-CD1 4.11Å; P264-L267 HydrophobicContact CG-CD1 4.34Å; P264-L267 PolarHBondContact O-N 3.23Å; D265-L267 PolarHBondContact O-N 2.88Å; L267-V269 VanDerWaalsContact C-N 3.26Å; L267-V269 PolarHBondContact O-N 3.37Å |
| 268 | L | 49 | Very low | 52.9 | Low | 37 Ų | 37 | 85.4 Ų | 85.4 | 19% | 0.194 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -79.8 | 0.6 | -174.3 | -89.7 | 150.3 | 0 | 0 | 0 | 114.7 | W110 P153 | W110-L268 HydrophobicContact CH2-CB 4.04Å; W110-L268 HydrophobicContact CH2-CD1 4.04Å; W110-L268 HydrophobicContact CH2-CD2 3.77Å; W110-L268 HydrophobicContact CH2-CG 4.16Å; W110-L268 HydrophobicContact CZ2-CB 3.73Å; W110-L268 HydrophobicContact CZ2-CD1 4Å; W110-L268 HydrophobicContact CZ2-CD2 4.32Å; W110-L268 HydrophobicContact CZ2-CG 4.23Å; P153-L268 HydrophobicContact CG-CD2 3.72Å; P153-L268 HydrophobicContact CG-CG 4Å |
| 269 | V | 52.1 | Low | 54.7 | Low | 64 Ų | 64 | 86 Ų | 86 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | trans | -117.8 | 62.1 | -163.7 | -165.5 | 0 | 0 | 0 | 0 | 111.2 | L267 F271 | L267-V269 VanDerWaalsContact C-N 3.26Å; L267-V269 PolarHBondContact O-N 3.37Å; V269-F271 HydrophobicContact CB-CE2 4.46Å; V269-F271 HydrophobicContact CG1-CD2 3.87Å; V269-F271 HydrophobicContact CG1-CE1 4.4Å; V269-F271 HydrophobicContact CG1-CE2 3.07Å; V269-F271 HydrophobicContact CG1-CZ 3.39Å | ||
| 270 | R | 51.9 | Low | 56.5 | Low | 183 Ų | 183 | 87.2 Ų | 87.2 | 69% | 0.691 | 48% | 0.476 | S | S | * | . | trans | -103 | 122.8 | 162.3 | -72.7 | -170.5 | -179.2 | -166 | 1.4 | 109.4 | Q151 | Q151-R270 HydrophobicContact CB-CB 4.48Å; Q151-R270 WeakPolarHBondContact CB-O 3.46Å | ||
| 271 | F | 58.9 | Low | 57.8 | Low | 41 Ų | 41 | 85.3 Ų | 85.3 | 18% | 0.18 | 46% | 0.464 | C | S | . | . | trans | -108.2 | 123.4 | -179.9 | -61.5 | -69.7 | 0 | 0 | 0 | 109.1 | K103 A106 S107 V149 V269 | K103-F271 HydrophobicContact CD-CD2 4.13Å; K103-F271 HydrophobicContact CG-CB 3.95Å; K103-F271 HydrophobicContact CG-CD2 3.4Å; K103-F271 HydrophobicContact CG-CE2 3.95Å; K103-F271 HydrophobicContact CG-CG 3.81Å; A106-F271 HydrophobicContact CB-CD1 3.27Å; A106-F271 HydrophobicContact CB-CE1 3.35Å; A106-F271 HydrophobicContact CB-CG 4.33Å; A106-F271 HydrophobicContact CB-CZ 4.42Å; S107-F271 WeakPolarHBondContact OG-CZ 3.28Å; V149-F271 WeakPolarHBondContact O-CD1 3.5Å; V269-F271 HydrophobicContact CB-CE2 4.46Å; V269-F271 HydrophobicContact CG1-CD2 3.87Å; V269-F271 HydrophobicContact CG1-CE1 4.4Å; V269-F271 HydrophobicContact CG1-CE2 3.07Å; V269-F271 HydrophobicContact CG1-CZ 3.39Å | ||
| 272 | L | 57.3 | Low | 59.3 | Low | 97 Ų | 97 | 82.7 Ų | 82.7 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | trans | -101.4 | 130.3 | 166.1 | -74 | 166.7 | 0 | 0 | 0 | 107.7 | V149 G274 | V149-L272 VanDerWaalsContact CG2-O 3.31Å; V149-L272 WeakPolarHBondContact CG2-O 3.5Å; L272-G274 PolarHBondContact O-N 3.21Å; L272-G274 VanDerWaalsContact O-N 3.08Å | ||
| 273 | P | 57.7 | Low | 60.5 | Low | 58 Ų | 58 | 81.4 Ų | 81.4 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 110.5 | 175.2 | 24.3 | -29.5 | 0 | 0 | 0 | 109.2 | N99 L102 L275 | N99-P273 WeakPolarHBondContact OD1-CB 3.31Å; N99-P273 WeakPolarHBondContact OD1-CG 3.42Å; L102-P273 HydrophobicContact CD1-CB 4.21Å; P273-L275 HydrophobicContact CB-CD1 4.32Å; P273-L275 HydrophobicContact CB-CG 4.42Å; P273-L275 PolarHBondContact O-N 3.4Å |
| 274 | G | 66.7 | Low | 61.9 | Low | 12 Ų | 12 | 79 Ų | 79 | 12% | 0.124 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 54.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H147 L272 | H147-G274 PolarHBondContact N-O 3.44Å; H147-G274 WeakPolarHBondContact O-CA 3.23Å; H147-G274 PolarHBondContact O-N 3.05Å; L272-G274 PolarHBondContact O-N 3.21Å; L272-G274 VanDerWaalsContact O-N 3.08Å |
| 275 | L | 74.9 | Confident | 63.5 | Low | 21 Ų | 21 | 78.3 Ų | 78.3 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.9 | 178.8 | -71.3 | 165.9 | 0 | 0 | 0 | 111 | L102 I144 P273 I283 | L102-L275 HydrophobicContact CD1-CD1 4.41Å; L102-L275 HydrophobicContact CD1-CD2 3.48Å; L102-L275 VanDerWaalsContact CD1-CD2 3.48Å; L102-L275 HydrophobicContact CD1-CG 3.61Å; I144-L275 HydrophobicContact CG2-CD2 3.54Å; P273-L275 HydrophobicContact CB-CD1 4.32Å; P273-L275 HydrophobicContact CB-CG 4.42Å; P273-L275 PolarHBondContact O-N 3.4Å; L275-I283 HydrophobicContact CB-CD1 4.18Å; L275-I283 HydrophobicContact CB-CG1 4.29Å; L275-I283 HydrophobicContact CB-CG2 3.81Å; L275-I283 HydrophobicContact CD1-CD1 4.48Å; L275-I283 HydrophobicContact CD1-CG2 3.77Å; L275-I283 HydrophobicContact CG-CG2 4.36Å |
| 276 | E | 77.1 | Confident | 65.1 | Low | 20 Ų | 20 | 76.2 Ų | 76.2 | 9% | 0.093 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 135.2 | 176.4 | -167.2 | 175.7 | 164.6 | 0 | 0 | 110.8 | R16 S17 V145 | R16-E276 WeakPolarHBondContact CA-OE1 3.41Å; R16-E276 WeakPolarHBondContact CG-OE1 3.45Å; S17-E276 WeakPolarHBondContact CB-OE2 3.3Å; S17-E276 PolarHBondContact N-OE1 2.98Å; S17-E276 PolarHBondContact N-OE2 3.31Å; S17-E276 PolarHBondContact OG-OE2 3.09Å; V145-E276 WeakPolarHBondContact O-CB 3.46Å; V145-E276 PolarHBondContact O-N 3.3Å; V145-E276 VanDerWaalsContact O-N 3.09Å |
| 277 | R | 73.7 | Confident | 66.9 | Low | 169 Ų | 169 | 77.2 Ų | 77.2 | 64% | 0.638 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 143.8 | 177.7 | -66.7 | 174.7 | 178.8 | -167.8 | 2.5 | 110 | G281 A282 I283 | R277-G281 WeakPolarHBondContact CD-O 3.37Å; R277-A282 CarbonylContact C-O 3.56Å; R277-A282 WeakPolarHBondContact CA-O 3.48Å; R277-I283 HydrophobicContact CG-CG1 4.17Å |
| 278 | N | 69.4 | Low | 68.9 | Low | 30 Ų | 30 | 75 Ų | 75 | 16% | 0.16 | 39% | 0.388 | C | S | . | . | trans | -68.8 | 178.1 | 172.8 | 73.6 | 7.1 | 0 | 0 | 0 | 111.4 | E280 G281 A282 S284 | N278-E280 PolarHBondContact O-N 3.46Å; N278-E280 VanDerWaalsContact O-N 3.14Å; N278-E280 VanDerWaalsContact OD1-CA 3.32Å; N278-E280 WeakPolarHBondContact OD1-CA 3.36Å; N278-E280 WeakPolarHBondContact OD1-CB 3.46Å; N278-E280 PolarHBondContact OD1-N 3.02Å; N278-G281 PolarHBondContact O-N 3.12Å; N278-G281 PolarHBondContact OD1-N 3.44Å; N278-A282 VanDerWaalsContact CG-O 3.24Å; N278-A282 PolarHBondContact N-O 2.97Å; N278-A282 PolarHBondContact OD1-N 3.44Å; N278-A282 PolarHBondContact OD1-O 3.45Å; N278-S284 WeakPolarHBondContact CB-OG 3.5Å; N278-S284 PolarHBondContact ND2-OG 3.29Å | ||
| 279 | S | 66.6 | Low | 70.7 | Confident | 110 Ų | 110 | 76.4 Ų | 76.4 | 77% | 0.769 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 280 | E | 66.7 | Low | 72.3 | Confident | 170 Ų | 170 | 74.4 Ų | 74.4 | 79% | 0.794 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 0.2 | 176.3 | -57.9 | 177.6 | 169.5 | 0 | 0 | 112.6 | N278 A282 | N278-E280 PolarHBondContact O-N 3.46Å; N278-E280 VanDerWaalsContact O-N 3.14Å; N278-E280 VanDerWaalsContact OD1-CA 3.32Å; N278-E280 WeakPolarHBondContact OD1-CA 3.36Å; N278-E280 WeakPolarHBondContact OD1-CB 3.46Å; N278-E280 PolarHBondContact OD1-N 3.02Å; E280-A282 VanDerWaalsContact C-N 3.32Å |
| 281 | G | 66.3 | Low | 73.6 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 80.3 | 5.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | R277 N278 | R277-G281 WeakPolarHBondContact CD-O 3.37Å; N278-G281 PolarHBondContact O-N 3.12Å; N278-G281 PolarHBondContact OD1-N 3.44Å |
| 282 | A | 68.5 | Low | 74.4 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 37% | 0.372 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -91.6 | 147.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R277 N278 E280 S284 | R277-A282 CarbonylContact C-O 3.56Å; R277-A282 WeakPolarHBondContact CA-O 3.48Å; N278-A282 VanDerWaalsContact CG-O 3.24Å; N278-A282 PolarHBondContact N-O 2.97Å; N278-A282 PolarHBondContact OD1-N 3.44Å; N278-A282 PolarHBondContact OD1-O 3.45Å; E280-A282 VanDerWaalsContact C-N 3.32Å; A282-S284 PolarHBondContact O-N 2.98Å |
| 283 | I | 71.4 | Confident | 75.2 | Confident | 97 Ų | 97 | 71.1 Ų | 71.1 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | trans | -77 | 102.4 | 168.5 | -61.9 | 169.6 | 0 | 0 | 0 | 106.8 | L275 R277 | L275-I283 HydrophobicContact CB-CD1 4.18Å; L275-I283 HydrophobicContact CB-CG1 4.29Å; L275-I283 HydrophobicContact CB-CG2 3.81Å; L275-I283 HydrophobicContact CD1-CD1 4.48Å; L275-I283 HydrophobicContact CD1-CG2 3.77Å; L275-I283 HydrophobicContact CG-CG2 4.36Å; R277-I283 HydrophobicContact CG-CG1 4.17Å | ||
| 284 | S | 71.2 | Confident | 76.2 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | trans | -137.8 | 147.9 | -178.8 | 74.4 | 0 | 0 | 0 | 0 | 111.9 | N278 A282 Q286 | N278-S284 WeakPolarHBondContact CB-OG 3.5Å; N278-S284 PolarHBondContact ND2-OG 3.29Å; A282-S284 PolarHBondContact O-N 2.98Å; S284-Q286 PolarHBondContact O-N 3.27Å | ||
| 285 | V | 83.4 | Confident | 76.7 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 37% | 0.37 | 41% | 0.408 | S | S | . | . | trans | -57.8 | 126.2 | 170 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | F93 H142 I144 | F93-V285 HydrophobicContact CE1-CB 4.2Å; F93-V285 HydrophobicContact CE1-CG1 3.51Å; F93-V285 HydrophobicContact CE1-CG2 3.57Å; F93-V285 HydrophobicContact CZ-CG1 3.92Å; F93-V285 HydrophobicContact CZ-CG2 3.98Å; H142-V285 HydrophobicContact CB-CG1 3.88Å; I144-V285 HydrophobicContact CD1-CB 4.29Å; I144-V285 HydrophobicContact CD1-CG2 3.58Å; I144-V285 HydrophobicContact CG1-CB 4.35Å; I144-V285 HydrophobicContact CG1-CG2 4.08Å | ||
| 286 | Q | 85.8 | Confident | 76.7 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 145.2 | 170.8 | -61.4 | -169.3 | 8.8 | 0 | 0 | 110.2 | H142 F143 S284 | H142-Q286 CarbonylContact C-O 3.58Å; H142-Q286 VanDerWaalsContact CA-O 3.31Å; H142-Q286 WeakPolarHBondContact CA-O 3.42Å; F143-Q286 HydrophobicContact CD1-CB 4.2Å; F143-Q286 HydrophobicContact CD2-CB 4.26Å; F143-Q286 HydrophobicContact CE1-CB 3.79Å; F143-Q286 HydrophobicContact CE2-CB 3.85Å; F143-Q286 HydrophobicContact CE2-CG 4.28Å; F143-Q286 HydrophobicContact CG-CB 4.42Å; F143-Q286 HydrophobicContact CZ-CB 3.61Å; F143-Q286 HydrophobicContact CZ-CG 4.35Å; F143-Q286 PolarHBondContact N-O 2.84Å; F143-Q286 PolarHBondContact O-N 3.23Å; S284-Q286 PolarHBondContact O-N 3.27Å |
| 287 | R | 89.2 | Confident | 76.6 | Confident | 166 Ų | 166 | 80.2 Ų | 80.2 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 120.6 | 179.5 | -176.3 | -177.1 | 176 | -151.8 | -1.8 | 110.7 | V140 Y141 | V140-R287 HydrophobicContact CG1-CG 3.99Å; Y141-R287 CarbonylContact O-C 3.41Å; Y141-R287 VanDerWaalsContact O-CA 3.28Å; Y141-R287 WeakPolarHBondContact O-CA 3.44Å |
| 288 | L | 88.5 | Confident | 76.8 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 24% | 0.236 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.1 | 173.6 | 178.9 | 68.5 | 0 | 0 | 0 | 109.7 | W24 V140 Y141 F143 L290 | W24-L288 HydrophobicContact CD2-CD2 4.49Å; W24-L288 HydrophobicContact CG-CD2 3.88Å; V140-L288 CarbonylContact C-O 3.55Å; V140-L288 VanDerWaalsContact CA-O 3.31Å; V140-L288 WeakPolarHBondContact CA-O 3.45Å; Y141-L288 HydrophobicContact CD2-CB 4.16Å; Y141-L288 HydrophobicContact CD2-CD2 4.02Å; Y141-L288 HydrophobicContact CD2-CG 4.13Å; Y141-L288 PolarHBondContact N-O 2.86Å; Y141-L288 PolarHBondContact O-N 3.13Å; F143-L288 HydrophobicContact CE1-CB 4.4Å; L288-L290 HydrophobicContact CD1-CD2 4.17Å; L288-L290 HydrophobicContact CD2-CD1 4.36Å; L288-L290 HydrophobicContact CD2-CD2 4.15Å; L288-L290 HydrophobicContact CD2-CG 4.18Å; L288-L290 HydrophobicContact CG-CD2 4.12Å; L288-L290 HydrophobicContact CG-CG 4.21Å |
| 289 | N | 87.4 | Confident | 77.1 | Confident | 66 Ų | 66 | 79.1 Ų | 79.1 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 111.7 | 176.6 | -178 | 4.4 | 0 | 0 | 0 | 109.9 | V140 S291 | V140-N289 HydrophobicContact CG2-CB 4.14Å; N289-S291 PolarHBondContact OD1-N 3.03Å; N289-S291 VanDerWaalsContact OD1-N 3.09Å; N289-S291 PolarHBondContact OD1-OG 2.81Å |
| 290 | L | 85.2 | Confident | 77.5 | Confident | 22 Ų | 22 | 76 Ų | 76 | 12% | 0.115 | 43% | 0.428 | C | S | . | . | trans | -100 | -2.1 | -179.9 | -61.2 | -178.8 | 0 | 0 | 0 | 113.4 | W24 Y139 Y141 L288 T292 S293 | W24-L290 HydrophobicContact CB-CD1 4.18Å; Y139-L290 PolarHBondContact O-N 2.93Å; Y141-L290 HydrophobicContact CD2-CD1 4.4Å; Y141-L290 HydrophobicContact CD2-CG 4.35Å; Y141-L290 HydrophobicContact CE2-CB 4.13Å; Y141-L290 HydrophobicContact CE2-CD1 3.54Å; Y141-L290 HydrophobicContact CE2-CG 3.71Å; L288-L290 HydrophobicContact CD1-CD2 4.17Å; L288-L290 HydrophobicContact CD2-CD1 4.36Å; L288-L290 HydrophobicContact CD2-CD2 4.15Å; L288-L290 HydrophobicContact CD2-CG 4.18Å; L288-L290 HydrophobicContact CG-CD2 4.12Å; L288-L290 HydrophobicContact CG-CG 4.21Å; L290-T292 PolarHBondContact O-N 3.11Å; L290-S293 PolarHBondContact O-N 3.34Å; L290-S293 PolarHBondContact O-OG 3.26Å | ||
| 291 | S | 79.4 | Confident | 78 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -61.5 | -31.7 | -178.4 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | K138 N289 S293 L294 | K138-S291 VanDerWaalsContact O-CB 3.26Å; K138-S291 WeakPolarHBondContact O-CB 3.37Å; N289-S291 PolarHBondContact OD1-N 3.03Å; N289-S291 VanDerWaalsContact OD1-N 3.09Å; N289-S291 PolarHBondContact OD1-OG 2.81Å; S291-S293 PolarHBondContact O-N 3.34Å; S291-L294 PolarHBondContact O-N 2.86Å |
| 292 | T | 76.1 | Confident | 78.5 | Confident | 124 Ų | 124 | 72 Ų | 72 | 76% | 0.761 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -68.4 | -15 | -177.5 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | L290 | L290-T292 PolarHBondContact O-N 3.11Š|
| 293 | S | 75.2 | Confident | 78.9 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 64% | 0.643 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -101.2 | 3.8 | 178.1 | 43.9 | 0 | 0 | 0 | 0 | 114.3 | L290 S291 | L290-S293 PolarHBondContact O-N 3.34Å; L290-S293 PolarHBondContact O-OG 3.26Å; S291-S293 PolarHBondContact O-N 3.34Å |
| 294 | L | 76.8 | Confident | 79.1 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -110.3 | 148.8 | -174.4 | -64.8 | 173.2 | 0 | 0 | 0 | 112.6 | Y139 S291 P296 L299 | Y139-L294 HydrophobicContact CD1-CD1 3.58Å; Y139-L294 HydrophobicContact CD2-CD1 3.69Å; Y139-L294 HydrophobicContact CE1-CD1 3.76Å; Y139-L294 HydrophobicContact CE2-CD1 3.89Å; Y139-L294 HydrophobicContact CG-CD1 3.53Å; S291-L294 PolarHBondContact O-N 2.86Å; L294-P296 WeakPolarHBondContact O-CD 3.26Å; L294-L299 HydrophobicContact CB-CD1 4Å; L294-L299 HydrophobicContact CB-CD2 3.92Å; L294-L299 HydrophobicContact CB-CG 3.97Å; L294-L299 HydrophobicContact CD1-CD2 3.83Å |
| 295 | D | 77.1 | Confident | 79.6 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | trans | -66.4 | 121 | 177.6 | 174.8 | -0.1 | 0 | 0 | 0 | 111.5 | S297 K298 L299 | D295-S297 PolarHBondContact O-N 3.1Å; D295-S297 VanDerWaalsContact O-N 3.15Å; D295-S297 PolarHBondContact OD1-N 2.93Å; D295-S297 PolarHBondContact OD1-OG 3.48Å; D295-K298 HydrophobicContact CB-CB 4.35Å; D295-K298 HydrophobicContact CB-CD 4.47Å; D295-K298 HydrophobicContact CB-CG 4.38Å; D295-K298 PolarHBondContact O-N 3.38Å; D295-L299 WeakPolarHBondContact O-CG 3.25Å; D295-L299 PolarHBondContact O-N 3.25Å | ||
| 296 | P | 76.3 | Confident | 79.6 | Confident | 98 Ų | 98 | 68.8 Ų | 68.8 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -53 | -33.7 | 179 | -27.2 | 34.9 | 0 | 0 | 0 | 114.9 | L294 L299 S300 | L294-P296 WeakPolarHBondContact O-CD 3.26Å; P296-L299 PolarHBondContact O-N 2.81Å; P296-S300 PolarHBondContact O-N 3.02Å |
| 297 | S | 75.1 | Confident | 79.5 | Confident | 64 Ų | 64 | 69.8 Ų | 69.8 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.2 | -45.8 | -178.5 | -52.2 | 0 | 0 | 0 | 0 | 110.8 | D295 L299 S300 E301 | D295-S297 PolarHBondContact O-N 3.1Å; D295-S297 VanDerWaalsContact O-N 3.15Å; D295-S297 PolarHBondContact OD1-N 2.93Å; D295-S297 PolarHBondContact OD1-OG 3.48Å; S297-L299 VanDerWaalsContact C-N 3.34Å; S297-S300 PolarHBondContact O-N 3.35Å; S297-E301 PolarHBondContact O-N 2.87Å; S297-E301 VanDerWaalsContact O-N 3.07Å |
| 298 | K | 76.6 | Confident | 79.5 | Confident | 134 Ų | 134 | 62.5 Ų | 62.5 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.7 | -35.9 | 174.4 | -68.5 | -174.3 | 178.6 | -179.8 | 0 | 111.9 | D295 S300 E301 N302 | D295-K298 HydrophobicContact CB-CB 4.35Å; D295-K298 HydrophobicContact CB-CD 4.47Å; D295-K298 HydrophobicContact CB-CG 4.38Å; D295-K298 PolarHBondContact O-N 3.38Å; K298-S300 VanDerWaalsContact C-N 3.34Å; K298-E301 PolarHBondContact O-N 3.11Å; K298-N302 WeakPolarHBondContact O-CB 3.35Å; K298-N302 VanDerWaalsContact O-CG 3.24Å; K298-N302 PolarHBondContact O-N 3.5Å; K298-N302 PolarHBondContact O-ND2 2.76Å |
| 299 | L | 76 | Confident | 79.3 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 172.9 | -72.8 | 175.2 | 0 | 0 | 0 | 111.3 | Y139 L294 D295 P296 S297 A303 | Y139-L299 HydrophobicContact CD2-CD2 3.59Å; Y139-L299 HydrophobicContact CE2-CD2 3.27Å; L294-L299 HydrophobicContact CB-CD1 4Å; L294-L299 HydrophobicContact CB-CD2 3.92Å; L294-L299 HydrophobicContact CB-CG 3.97Å; L294-L299 HydrophobicContact CD1-CD2 3.83Å; D295-L299 WeakPolarHBondContact O-CG 3.25Å; D295-L299 PolarHBondContact O-N 3.25Å; P296-L299 PolarHBondContact O-N 2.81Å; S297-L299 VanDerWaalsContact C-N 3.34Å; L299-A303 VanDerWaalsContact O-CB 3.22Å; L299-A303 WeakPolarHBondContact O-CB 3.22Å; L299-A303 PolarHBondContact O-N 2.83Å |
| 300 | S | 75 | Confident | 79.1 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | P296 S297 K298 A303 T304 | P296-S300 PolarHBondContact O-N 3.02Å; S297-S300 PolarHBondContact O-N 3.35Å; K298-S300 VanDerWaalsContact C-N 3.34Å; S300-A303 PolarHBondContact O-N 2.59Å; S300-T304 PolarHBondContact O-N 2.93Å; S300-T304 VanDerWaalsContact O-N 3.16Å; S300-T304 PolarHBondContact O-OG1 3.49Å |
| 301 | E | 76.8 | Confident | 79.1 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 177.1 | -173.9 | -179.9 | -177.9 | 0 | 0 | 111.7 | S297 K298 A303 T304 K305 R351 | S297-E301 PolarHBondContact O-N 2.87Å; S297-E301 VanDerWaalsContact O-N 3.07Å; K298-E301 PolarHBondContact O-N 3.11Å; E301-A303 VanDerWaalsContact C-N 3.31Å; E301-A303 PolarHBondContact O-N 2.94Å; E301-T304 PolarHBondContact O-N 3.46Å; E301-K305 PolarHBondContact O-N 2.7Å; E301-R351 IonicContact OE1-CZ 3.29Å; E301-R351 IonicContact OE1-NH1 2.71Å; E301-R351 PolarHBondContact OE1-NH1 2.77Å; E301-R351 VanDerWaalsContact OE1-NH1 3.15Å; E301-R351 IonicContact OE1-NH2 3.75Å; E301-R351 PolarHBondContact OE1-NH2 3.41Å |
| 302 | N | 78.1 | Confident | 79.5 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 39% | 0.39 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 179 | -72.1 | -17.5 | 0 | 0 | 0 | 111.8 | Y139 K298 L306 | Y139-N302 PolarHBondContact OH-ND2 3.44Å; K298-N302 WeakPolarHBondContact O-CB 3.35Å; K298-N302 VanDerWaalsContact O-CG 3.24Å; K298-N302 PolarHBondContact O-N 3.5Å; K298-N302 PolarHBondContact O-ND2 2.76Å; N302-L306 WeakPolarHBondContact O-CB 3.31Å; N302-L306 PolarHBondContact O-N 2.99Å |
| 303 | A | 76.9 | Confident | 79.7 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L299 S300 E301 L306 N307 | L299-A303 VanDerWaalsContact O-CB 3.22Å; L299-A303 WeakPolarHBondContact O-CB 3.22Å; L299-A303 PolarHBondContact O-N 2.83Å; S300-A303 PolarHBondContact O-N 2.59Å; E301-A303 VanDerWaalsContact C-N 3.31Å; E301-A303 PolarHBondContact O-N 2.94Å; A303-L306 PolarHBondContact O-N 3.15Å; A303-N307 PolarHBondContact O-N 3.12Å; A303-N307 VanDerWaalsContact O-N 3.09Å; A303-N307 PolarHBondContact O-ND2 2.94Å |
| 304 | T | 75.5 | Confident | 80 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | S300 E301 L306 N307 L308 | S300-T304 PolarHBondContact O-N 2.93Å; S300-T304 VanDerWaalsContact O-N 3.16Å; S300-T304 PolarHBondContact O-OG1 3.49Å; E301-T304 PolarHBondContact O-N 3.46Å; T304-L306 VanDerWaalsContact C-N 3.31Å; T304-L306 PolarHBondContact O-N 2.76Å; T304-N307 PolarHBondContact O-N 3.34Å; T304-L308 PolarHBondContact O-N 3.44Å |
| 305 | K | 81.7 | Confident | 80.3 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 177.1 | -168.7 | 176.1 | -178 | -179.6 | 0 | 112 | E301 L308 N309 F325 | E301-K305 PolarHBondContact O-N 2.7Å; K305-L308 PolarHBondContact O-N 3.39Å; K305-N309 WeakPolarHBondContact O-CB 3.37Å; K305-N309 PolarHBondContact O-N 3.26Å; K305-N309 PolarHBondContact O-ND2 3.28Å; K305-F325 HydrophobicContact CG-CE2 4.24Å; K305-F325 HydrophobicContact CG-CZ 4.31Å |
| 306 | L | 83 | Confident | 80.7 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 177.9 | 179.9 | 59.8 | 0 | 0 | 0 | 112.5 | V32 P136 K137 N302 A303 T304 L308 N309 L310 W313 | V32-L306 HydrophobicContact CG2-CD1 4.31Å; P136-L306 HydrophobicContact CB-CD2 4.07Å; P136-L306 HydrophobicContact CG-CD2 4Å; K137-L306 HydrophobicContact CB-CD2 4.41Å; K137-L306 HydrophobicContact CG-CD2 3.46Å; K137-L306 VanDerWaalsContact CG-CD2 3.46Å; K137-L306 HydrophobicContact CG-CG 4.45Å; N302-L306 WeakPolarHBondContact O-CB 3.31Å; N302-L306 PolarHBondContact O-N 2.99Å; A303-L306 PolarHBondContact O-N 3.15Å; T304-L306 VanDerWaalsContact C-N 3.31Å; T304-L306 PolarHBondContact O-N 2.76Å; L306-L308 PolarHBondContact O-N 3.46Å; L306-N309 PolarHBondContact O-N 2.63Å; L306-L310 HydrophobicContact CD1-CD1 4.39Å; L306-L310 HydrophobicContact CD1-CG 4.17Å; L306-L310 HydrophobicContact CG-CD1 4.16Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 WeakPolarHBondContact O-CB 3.25Å; L306-L310 VanDerWaalsContact O-CG 3.24Å; L306-L310 WeakPolarHBondContact O-CG 3.41Å; L306-L310 PolarHBondContact O-N 3.37Å; L306-W313 HydrophobicContact CD1-CH2 4.12Å; L306-W313 HydrophobicContact CD1-CZ3 4.24Å |
| 307 | N | 84.3 | Confident | 81.1 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -43 | 176.3 | -75.1 | -29.2 | 0 | 0 | 0 | 111.9 | K137 A303 T304 L310 M311 | K137-N307 VanDerWaalsContact CE-OD1 3.29Å; K137-N307 WeakPolarHBondContact CE-OD1 3.33Å; K137-N307 PolarHBondContact NZ-OD1 3.07Å; A303-N307 PolarHBondContact O-N 3.12Å; A303-N307 VanDerWaalsContact O-N 3.09Å; A303-N307 PolarHBondContact O-ND2 2.94Å; T304-N307 PolarHBondContact O-N 3.34Å; N307-L310 PolarHBondContact O-N 3.4Å; N307-M311 PolarHBondContact O-N 3.42Å; N307-M311 VanDerWaalsContact O-N 3.09Å |
| 308 | L | 87.8 | Confident | 81.6 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 177.2 | -65.9 | 172.7 | 0 | 0 | 0 | 111.9 | T304 K305 L306 L310 M311 R312 L321 F325 W348 | T304-L308 PolarHBondContact O-N 3.44Å; K305-L308 PolarHBondContact O-N 3.39Å; L306-L308 PolarHBondContact O-N 3.46Å; L308-L310 PolarHBondContact O-N 2.88Å; L308-M311 HydrophobicContact CD2-CE 3.7Å; L308-M311 WeakPolarHBondContact O-CB 3.43Å; L308-M311 PolarHBondContact O-N 2.98Å; L308-R312 PolarHBondContact O-N 3.26Å; L308-L321 HydrophobicContact CB-CD1 3.76Å; L308-L321 HydrophobicContact CB-CD2 3.86Å; L308-L321 HydrophobicContact CB-CG 4.48Å; L308-F325 HydrophobicContact CD1-CE1 3.53Å; L308-F325 HydrophobicContact CD1-CZ 3.88Å; L308-W348 WeakPolarHBondContact CD1-O 3.42Å; L308-W348 HydrophobicContact CD2-CE3 4.09Å; L308-W348 HydrophobicContact CD2-CZ3 4.42Å |
| 309 | N | 84.2 | Confident | 82.3 | Confident | 26 Ų | 26 | 62 Ų | 62 | 14% | 0.139 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 172.8 | -81.8 | -26.9 | 0 | 0 | 0 | 112.4 | K305 L306 M311 R312 W313 L321 | K305-N309 WeakPolarHBondContact O-CB 3.37Å; K305-N309 PolarHBondContact O-N 3.26Å; K305-N309 PolarHBondContact O-ND2 3.28Å; L306-N309 PolarHBondContact O-N 2.63Å; N309-M311 VanDerWaalsContact C-N 3.33Å; N309-M311 PolarHBondContact O-N 3.3Å; N309-R312 WeakPolarHBondContact O-CB 3.04Å; N309-R312 PolarHBondContact O-N 2.87Å; N309-W313 HydrophobicContact CB-CH2 4.08Å; N309-W313 HydrophobicContact CB-CZ2 3.61Å; N309-W313 VanDerWaalsContact O-CD1 3.31Å; N309-W313 VanDerWaalsContact O-CD2 3.32Å; N309-W313 PolarHBondContact O-N 3.21Å; N309-L321 WeakPolarHBondContact OD1-CD1 3.32Å |
| 310 | L | 84.1 | Confident | 82.9 | Confident | 35 Ų | 35 | 63 Ų | 63 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175.3 | -75.5 | 169.3 | 0 | 0 | 0 | 111.9 | L306 N307 L308 W313 R314 | L306-L310 HydrophobicContact CD1-CD1 4.39Å; L306-L310 HydrophobicContact CD1-CG 4.17Å; L306-L310 HydrophobicContact CG-CD1 4.16Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 WeakPolarHBondContact O-CB 3.25Å; L306-L310 VanDerWaalsContact O-CG 3.24Å; L306-L310 WeakPolarHBondContact O-CG 3.41Å; L306-L310 PolarHBondContact O-N 3.37Å; N307-L310 PolarHBondContact O-N 3.4Å; L308-L310 PolarHBondContact O-N 2.88Å; L310-W313 HydrophobicContact CD2-CE3 3.89Å; L310-W313 HydrophobicContact CD2-CZ3 3.98Å; L310-W313 PolarHBondContact O-N 3.13Å; L310-R314 VanDerWaalsContact O-CB 3.27Å; L310-R314 WeakPolarHBondContact O-CB 3.27Å; L310-R314 WeakPolarHBondContact O-CG 3.36Å; L310-R314 PolarHBondContact O-N 2.71Å |
| 311 | M | 85.7 | Confident | 83.6 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 172 | 178.6 | 168.7 | 70.2 | 0 | 0 | 110.7 | N307 L308 N309 V315 M316 L319 W348 | N307-M311 PolarHBondContact O-N 3.42Å; N307-M311 VanDerWaalsContact O-N 3.09Å; L308-M311 HydrophobicContact CD2-CE 3.7Å; L308-M311 WeakPolarHBondContact O-CB 3.43Å; L308-M311 PolarHBondContact O-N 2.98Å; N309-M311 VanDerWaalsContact C-N 3.33Å; N309-M311 PolarHBondContact O-N 3.3Å; M311-V315 WeakPolarHBondContact O-CB 3.13Å; M311-V315 PolarHBondContact O-N 2.65Å; M311-M316 PolarHBondContact O-N 3.03Å; M311-L319 HydrophobicContact CE-CD2 3.48Å; M311-L319 VanDerWaalsContact CE-CD2 3.48Å; M311-L319 HydrophobicContact CG-CD2 4.45Å; M311-W348 HydrophobicContact CE-CE3 4.35Å; M311-W348 HydrophobicContact CE-CH2 3.44Å; M311-W348 VanDerWaalsContact CE-CH2 3.44Å; M311-W348 HydrophobicContact CE-CZ2 4.22Å; M311-W348 HydrophobicContact CE-CZ3 3.51Å |
| 312 | R | 86.9 | Confident | 84.1 | Confident | 91 Ų | 91 | 66.1 Ų | 66.1 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 174.2 | -175.2 | -178 | 176.9 | -178.1 | 2.3 | 111.9 | L308 N309 M316 P317 L319 | L308-R312 PolarHBondContact O-N 3.26Å; N309-R312 WeakPolarHBondContact O-CB 3.04Å; N309-R312 PolarHBondContact O-N 2.87Å; R312-M316 WeakPolarHBondContact CA-O 3.44Å; R312-M316 CarbonylContact O-C 3.55Å; R312-M316 PolarHBondContact O-N 3.12Å; R312-P317 PolarHBondContact NE-O 3.49Å; R312-P317 WeakPolarHBondContact O-CA 3.47Å; R312-L319 HydrophobicContact CB-CB 4.46Å; R312-L319 VanDerWaalsContact CD-O 3.22Å; R312-L319 WeakPolarHBondContact CD-O 3.36Å; R312-L319 HydrophobicContact CG-CB 4.32Å; R312-L319 PolarHBondContact NE-O 2.96Å |
| 313 | W | 80.9 | Confident | 84.6 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.5 | -35 | -175.2 | -54.4 | -22.3 | 0 | 0 | 0 | 114.1 | V32 K36 L37 L306 N309 L310 | V32-W313 HydrophobicContact CB-CH2 4.2Å; V32-W313 HydrophobicContact CG1-CH2 3.86Å; V32-W313 HydrophobicContact CG1-CZ2 4.32Å; V32-W313 WeakPolarHBondContact O-CH2 3.46Å; V32-W313 WeakPolarHBondContact O-CZ2 3.28Å; K36-W313 HydrophobicContact CB-CD2 4.12Å; K36-W313 HydrophobicContact CB-CE3 4.36Å; K36-W313 HydrophobicContact CB-CG 4.32Å; K36-W313 HydrophobicContact CD-CG 4.42Å; K36-W313 HydrophobicContact CG-CD2 4.15Å; K36-W313 HydrophobicContact CG-CG 4.37Å; K36-W313 HydrophobicContact CG-CZ2 4.44Å; L37-W313 HydrophobicContact CD1-CB 4.09Å; L37-W313 HydrophobicContact CG-CB 4.26Å; L306-W313 HydrophobicContact CD1-CH2 4.12Å; L306-W313 HydrophobicContact CD1-CZ3 4.24Å; N309-W313 HydrophobicContact CB-CH2 4.08Å; N309-W313 HydrophobicContact CB-CZ2 3.61Å; N309-W313 VanDerWaalsContact O-CD1 3.31Å; N309-W313 VanDerWaalsContact O-CD2 3.32Å; N309-W313 PolarHBondContact O-N 3.21Å; L310-W313 HydrophobicContact CD2-CE3 3.89Å; L310-W313 HydrophobicContact CD2-CZ3 3.98Å; L310-W313 PolarHBondContact O-N 3.13Å |
| 314 | R | 82.2 | Confident | 85.2 | Confident | 159 Ų | 159 | 62.6 Ų | 62.6 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -93.1 | -36.3 | -173.1 | -70 | -177.6 | 175.6 | -164.3 | -1.4 | 113.9 | L37 L310 | L37-R314 HydrophobicContact CD1-CB 4.49Å; L37-R314 HydrophobicContact CD1-CG 3.62Å; L37-R314 HydrophobicContact CD2-CG 4.35Å; L310-R314 VanDerWaalsContact O-CB 3.27Å; L310-R314 WeakPolarHBondContact O-CB 3.27Å; L310-R314 WeakPolarHBondContact O-CG 3.36Å; L310-R314 PolarHBondContact O-N 2.71Å |
| 315 | V | 82.2 | Confident | 85.8 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -41 | -166.9 | -174.4 | 0 | 0 | 0 | 0 | 111 | M311 | M311-V315 WeakPolarHBondContact O-CB 3.13Å; M311-V315 PolarHBondContact O-N 2.65Å |
| 316 | M | 85.4 | Confident | 86 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | trans | -143.5 | 76.5 | -167.5 | -163.1 | 175.2 | -66.1 | 0 | 0 | 113.5 | M311 R312 E318 L319 C577 L578 | M311-M316 PolarHBondContact O-N 3.03Å; R312-M316 WeakPolarHBondContact CA-O 3.44Å; R312-M316 CarbonylContact O-C 3.55Å; R312-M316 PolarHBondContact O-N 3.12Å; M316-E318 PolarHBondContact O-N 2.87Å; M316-E318 VanDerWaalsContact O-N 3.14Å; M316-L319 HydrophobicContact CB-CB 4.29Å; M316-L319 HydrophobicContact CG-CB 4.04Å; M316-L319 VanDerWaalsContact O-CB 3.23Å; M316-L319 WeakPolarHBondContact O-CB 3.39Å; M316-L319 PolarHBondContact O-N 3.08Å; M316-L319 HydrophobicContact SD-CB 4.24Å; M316-L319 HydrophobicContact SD-CD1 4.26Å; M316-C577 WeakPolarHBondContact CE-O 3.45Å; M316-C577 HydrophobicContact CG-CB 3.74Å; M316-C577 HydrophobicContact SD-CB 3.75Å; M316-L578 HydrophobicContact CE-CD2 3.76Å; M316-L578 HydrophobicContact SD-CD2 3.43Å; M316-L578 WeakPolarHBondContact SD-CD2 3.37Å; M316-L578 HydrophobicContact SD-CG 3.85Å | ||
| 317 | P | 84.9 | Confident | 86.4 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 60% | 0.597 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.5 | -174.3 | -26.5 | 35.8 | 0 | 0 | 0 | 114.9 | R312 L319 | R312-P317 PolarHBondContact NE-O 3.49Å; R312-P317 WeakPolarHBondContact O-CA 3.47Å; P317-L319 VanDerWaalsContact C-N 3.27Å; P317-L319 PolarHBondContact O-N 3.19Å |
| 318 | E | 86.4 | Confident | 87 | Confident | 157 Ų | 157 | 57.7 Ų | 57.7 | 73% | 0.734 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.4 | 179.9 | -62 | 179.3 | -177.4 | 0 | 0 | 113.8 | M316 D320 C577 | M316-E318 PolarHBondContact O-N 2.87Å; M316-E318 VanDerWaalsContact O-N 3.14Å; E318-D320 PolarHBondContact O-N 3.04Å; E318-C577 HydrophobicContact CB-CB 3.89Å |
| 319 | L | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -64 | 117.1 | -179 | -177.6 | 70.1 | 0 | 0 | 0 | 111.4 | M311 R312 M316 P317 L321 W348 Q557 L578 | M311-L319 HydrophobicContact CE-CD2 3.48Å; M311-L319 VanDerWaalsContact CE-CD2 3.48Å; M311-L319 HydrophobicContact CG-CD2 4.45Å; R312-L319 HydrophobicContact CB-CB 4.46Å; R312-L319 VanDerWaalsContact CD-O 3.22Å; R312-L319 WeakPolarHBondContact CD-O 3.36Å; R312-L319 HydrophobicContact CG-CB 4.32Å; R312-L319 PolarHBondContact NE-O 2.96Å; M316-L319 HydrophobicContact CB-CB 4.29Å; M316-L319 HydrophobicContact CG-CB 4.04Å; M316-L319 VanDerWaalsContact O-CB 3.23Å; M316-L319 WeakPolarHBondContact O-CB 3.39Å; M316-L319 PolarHBondContact O-N 3.08Å; M316-L319 HydrophobicContact SD-CB 4.24Å; M316-L319 HydrophobicContact SD-CD1 4.26Å; P317-L319 VanDerWaalsContact C-N 3.27Å; P317-L319 PolarHBondContact O-N 3.19Å; L319-L321 HydrophobicContact CD2-CD2 3.62Å; L319-L321 HydrophobicContact CD2-CG 4.38Å; L319-L321 HydrophobicContact CG-CD2 3.97Å; L319-L321 HydrophobicContact CG-CG 4.47Å; L319-L321 PolarHBondContact O-N 3.25Å; L319-W348 HydrophobicContact CD1-CH2 4.27Å; L319-W348 HydrophobicContact CD1-CZ3 4.14Å; L319-W348 HydrophobicContact CD2-CH2 4.41Å; L319-W348 HydrophobicContact CD2-CZ3 4.1Å; L319-Q557 HydrophobicContact CD1-CG 4.07Å; L319-L578 HydrophobicContact CD1-CD1 4.11Å; L319-L578 HydrophobicContact CD1-CD2 4.25Å; L319-L578 HydrophobicContact CD1-CG 4.2Å | ||
| 320 | D | 89.7 | Confident | 88 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | trans | -93.1 | 94.1 | 176.9 | -173.3 | -9 | 0 | 0 | 0 | 111 | E318 E322 T323 Q557 | E318-D320 PolarHBondContact O-N 3.04Å; D320-E322 VanDerWaalsContact C-N 3.26Å; D320-E322 PolarHBondContact O-N 3.28Å; D320-E322 WeakPolarHBondContact OD1-CB 3.12Å; D320-E322 PolarHBondContact OD1-N 3.22Å; D320-T323 HydrophobicContact CB-CG2 4.19Å; D320-T323 PolarHBondContact O-N 3Å; D320-T323 PolarHBondContact O-OG1 3.39Å; D320-T323 VanDerWaalsContact OD2-CG2 3.24Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.41Å; D320-Q557 PolarHBondContact O-NE2 3.27Å | ||
| 321 | L | 88.8 | Confident | 88.7 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -68 | -22.3 | 179.5 | -63 | 175.9 | 0 | 0 | 0 | 113.7 | L308 N309 L319 T323 I324 F325 | L308-L321 HydrophobicContact CB-CD1 3.76Å; L308-L321 HydrophobicContact CB-CD2 3.86Å; L308-L321 HydrophobicContact CB-CG 4.48Å; N309-L321 WeakPolarHBondContact OD1-CD1 3.32Å; L319-L321 HydrophobicContact CD2-CD2 3.62Å; L319-L321 HydrophobicContact CD2-CG 4.38Å; L319-L321 HydrophobicContact CG-CD2 3.97Å; L319-L321 HydrophobicContact CG-CG 4.47Å; L319-L321 PolarHBondContact O-N 3.25Å; L321-T323 VanDerWaalsContact C-N 3.31Å; L321-T323 PolarHBondContact O-N 2.86Å; L321-I324 PolarHBondContact O-N 3.48Å; L321-F325 HydrophobicContact CB-CE1 4.48Å; L321-F325 HydrophobicContact CB-CE2 3.98Å; L321-F325 HydrophobicContact CB-CZ 3.95Å; L321-F325 HydrophobicContact CD1-CZ 4.34Å; L321-F325 WeakPolarHBondContact O-CG 3.38Å; L321-F325 PolarHBondContact O-N 3.06Å; L321-F325 VanDerWaalsContact O-N 3.08Å |
| 322 | E | 87.9 | Confident | 89.1 | Confident | 159 Ų | 159 | 51.6 Ų | 51.6 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.2 | -35.2 | -178.6 | -63 | -173.1 | 173 | 0 | 0 | 110.9 | D320 I324 | D320-E322 VanDerWaalsContact C-N 3.26Å; D320-E322 PolarHBondContact O-N 3.28Å; D320-E322 WeakPolarHBondContact OD1-CB 3.12Å; D320-E322 PolarHBondContact OD1-N 3.22Å; E322-I324 PolarHBondContact O-N 3.42Å |
| 323 | T | 87.9 | Confident | 89.3 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -18.5 | 174.4 | 64 | 0 | 0 | 0 | 0 | 113.8 | D320 L321 V327 Q557 | D320-T323 HydrophobicContact CB-CG2 4.19Å; D320-T323 PolarHBondContact O-N 3Å; D320-T323 PolarHBondContact O-OG1 3.39Å; D320-T323 VanDerWaalsContact OD2-CG2 3.24Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.41Å; L321-T323 VanDerWaalsContact C-N 3.31Å; L321-T323 PolarHBondContact O-N 2.86Å; T323-V327 WeakPolarHBondContact O-CG2 3.25Å; T323-Q557 PolarHBondContact OG1-NE2 2.91Å |
| 324 | I | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -96.8 | -45.1 | -179.2 | -58.8 | 179 | 0 | 0 | 0 | 110.6 | L321 E322 G326 V327 W348 I350 A553 L556 | L321-I324 PolarHBondContact O-N 3.48Å; E322-I324 PolarHBondContact O-N 3.42Å; I324-G326 VanDerWaalsContact C-N 3.25Å; I324-G326 PolarHBondContact O-N 3.03Å; I324-V327 PolarHBondContact O-N 3.35Å; I324-W348 HydrophobicContact CD1-CD2 4.39Å; I324-W348 HydrophobicContact CD1-CE3 3.45Å; I324-W348 VanDerWaalsContact CD1-CE3 3.45Å; I324-W348 HydrophobicContact CD1-CH2 4.49Å; I324-W348 HydrophobicContact CD1-CZ3 3.51Å; I324-W348 HydrophobicContact CG2-CB 4.07Å; I324-W348 HydrophobicContact CG2-CE3 4.39Å; I324-W348 WeakPolarHBondContact CG2-O 3.48Å; I324-I350 HydrophobicContact CG2-CD1 4.4Å; I324-I350 HydrophobicContact CG2-CG1 4.02Å; I324-A553 HydrophobicContact CD1-CB 4.31Å; I324-L556 HydrophobicContact CG1-CD1 4.4Å |
| 325 | F | 88.4 | Confident | 90.2 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 17% | 0.167 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -30.6 | -176.3 | -65.5 | -18.6 | 0 | 0 | 0 | 114 | K305 L308 L321 W348 G349 | K305-F325 HydrophobicContact CG-CE2 4.24Å; K305-F325 HydrophobicContact CG-CZ 4.31Å; L308-F325 HydrophobicContact CD1-CE1 3.53Å; L308-F325 HydrophobicContact CD1-CZ 3.88Å; L321-F325 HydrophobicContact CB-CE1 4.48Å; L321-F325 HydrophobicContact CB-CE2 3.98Å; L321-F325 HydrophobicContact CB-CZ 3.95Å; L321-F325 HydrophobicContact CD1-CZ 4.34Å; L321-F325 WeakPolarHBondContact O-CG 3.38Å; L321-F325 PolarHBondContact O-N 3.06Å; L321-F325 VanDerWaalsContact O-N 3.08Å; F325-W348 WeakPolarHBondContact CE1-O 3.25Å; F325-G349 WeakPolarHBondContact CD1-O 3.4Å |
| 326 | G | 84.5 | Confident | 90.5 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 68% | 0.68 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | I324 | I324-G326 VanDerWaalsContact C-N 3.25Å; I324-G326 PolarHBondContact O-N 3.03Å |
| 327 | V | 92.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 33 Ų | 33 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | trans | -83.1 | 140.8 | -173.6 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | T323 I324 D438 I439 L556 | T323-V327 WeakPolarHBondContact O-CG2 3.25Å; I324-V327 PolarHBondContact O-N 3.35Å; V327-D438 HydrophobicContact CG1-CB 4.23Å; V327-I439 HydrophobicContact CG1-CB 4.46Å; V327-I439 HydrophobicContact CG1-CD1 3.59Å; V327-I439 HydrophobicContact CG1-CG1 3.79Å; V327-L556 HydrophobicContact CG2-CD1 3.8Å; V327-L556 HydrophobicContact CG2-CD2 3.88Å | ||
| 328 | S | 95.5 | Very high | 91.2 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.7 | 172.4 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | H437 D438 I439 | S328-H437 WeakPolarHBondContact OG-CA 3.41Å; S328-D438 PolarHBondContact N-OD2 2.92Å; S328-D438 PolarHBondContact O-N 3.48Å; S328-D438 VanDerWaalsContact O-N 3.1Å; S328-D438 PolarHBondContact OG-N 3.32Å; S328-D438 PolarHBondContact OG-OD2 2.77Å; S328-I439 PolarHBondContact O-N 3.08Å; S328-I439 VanDerWaalsContact O-N 3.11Å |
| 329 | C | 97.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.4 | -177.2 | -64 | 0 | 0 | 0 | 0 | 112.6 | L331 L345 K352 I353 T354 I439 | C329-L331 HydrophobicContact CB-CD1 3.89Å; C329-L345 HydrophobicContact CB-CD1 3.93Å; C329-K352 PolarHBondContact N-O 3.38Å; C329-I353 WeakPolarHBondContact O-CA 3.31Å; C329-T354 PolarHBondContact O-N 2.99Å; C329-I439 CarbonylContact C-O 3.59Å; C329-I439 WeakPolarHBondContact CA-O 3.32Å |
| 330 | L | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.7 | 172 | -177.4 | 62.7 | 0 | 0 | 0 | 110.2 | F332 T354 I356 L433 I434 H437 I439 I440 F441 | L330-F332 HydrophobicContact CD2-CD2 4.42Å; L330-F332 HydrophobicContact CD2-CE2 3.56Å; L330-F332 HydrophobicContact CD2-CZ 3.98Å; L330-F332 HydrophobicContact CG-CD2 4.33Å; L330-F332 HydrophobicContact CG-CE2 3.93Å; L330-T354 HydrophobicContact CD1-CG2 3.49Å; L330-T354 VanDerWaalsContact CD1-CG2 3.49Å; L330-I356 HydrophobicContact CD1-CD1 3.81Å; L330-I356 HydrophobicContact CD1-CG1 4.07Å; L330-I356 HydrophobicContact CD2-CD1 4.32Å; L330-I356 HydrophobicContact CG-CD1 4.35Å; L330-L433 HydrophobicContact CD2-CB 3.96Å; L330-I434 HydrophobicContact CD2-CG1 3.88Å; L330-H437 HydrophobicContact CB-CB 3.86Å; L330-I439 PolarHBondContact N-O 3.48Å; L330-I440 HydrophobicContact CB-CD1 3.77Å; L330-I440 HydrophobicContact CD2-CD1 4.07Å; L330-I440 HydrophobicContact CG-CD1 4.5Å; L330-I440 CarbonylContact O-C 3.5Å; L330-I440 WeakPolarHBondContact O-CA 3.11Å; L330-F441 PolarHBondContact O-N 3.06Å |
| 331 | L | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.7 | -176.7 | -77.5 | 64.4 | 0 | 0 | 0 | 110 | C329 G333 I341 A342 L345 I353 T354 L355 I356 F441 L443 | C329-L331 HydrophobicContact CB-CD1 3.89Å; L331-G333 PolarHBondContact O-N 3.07Å; L331-I341 HydrophobicContact CD2-CG2 4.14Å; L331-A342 HydrophobicContact CD2-CB 3.93Å; L331-L345 HydrophobicContact CD1-CD1 3.88Å; L331-L345 HydrophobicContact CD2-CD1 4.37Å; L331-I353 HydrophobicContact CD1-CG2 4.02Å; L331-I353 HydrophobicContact CD2-CG2 4.49Å; L331-T354 PolarHBondContact N-O 2.96Å; L331-L355 HydrophobicContact CB-CD2 3.94Å; L331-L355 HydrophobicContact CD2-CD2 3.95Å; L331-I356 PolarHBondContact O-N 3.14Å; L331-F441 HydrophobicContact CD1-CD2 4.18Å; L331-F441 HydrophobicContact CG-CB 4.18Å; L331-F441 HydrophobicContact CG-CD2 4.5Å; L331-L443 HydrophobicContact CB-CD1 4.35Å; L331-L443 HydrophobicContact CD2-CD1 4.32Å; L331-L443 HydrophobicContact CG-CD1 4.2Å |
| 332 | F | 95.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 100.6 | 171.5 | -76 | -91.8 | 0 | 0 | 0 | 110 | L330 I356 V408 L430 I434 I440 F441 L442 L443 M444 P453 | L330-F332 HydrophobicContact CD2-CD2 4.42Å; L330-F332 HydrophobicContact CD2-CE2 3.56Å; L330-F332 HydrophobicContact CD2-CZ 3.98Å; L330-F332 HydrophobicContact CG-CD2 4.33Å; L330-F332 HydrophobicContact CG-CE2 3.93Å; F332-I356 HydrophobicContact CD1-CB 4.4Å; F332-I356 HydrophobicContact CD1-CD1 4.16Å; F332-I356 HydrophobicContact CD1-CG2 4.41Å; F332-I356 HydrophobicContact CE1-CD1 3.69Å; F332-I356 HydrophobicContact CE2-CD1 4.48Å; F332-I356 HydrophobicContact CZ-CD1 3.86Å; F332-V408 HydrophobicContact CD1-CG2 3.9Å; F332-V408 HydrophobicContact CE1-CG2 4.02Å; F332-L430 HydrophobicContact CE1-CD2 3.85Å; F332-L430 HydrophobicContact CZ-CD2 4.3Å; F332-I434 HydrophobicContact CE2-CD1 4.15Å; F332-I434 HydrophobicContact CE2-CG1 4.08Å; F332-I434 HydrophobicContact CZ-CD1 3.94Å; F332-I434 HydrophobicContact CZ-CG1 4.08Å; F332-I440 HydrophobicContact CD2-CG2 3.78Å; F332-I440 HydrophobicContact CE2-CG2 3.63Å; F332-F441 PolarHBondContact N-O 2.82Å; F332-L442 HydrophobicContact CB-CD2 4.42Å; F332-L442 HydrophobicContact CD2-CD2 3.8Å; F332-L442 HydrophobicContact CE2-CD2 4.42Å; F332-L442 HydrophobicContact CG-CD2 4.3Å; F332-L443 CarbonylContact O-C 3.58Å; F332-L443 VanDerWaalsContact O-C 3.32Å; F332-L443 VanDerWaalsContact O-CA 3.25Å; F332-L443 WeakPolarHBondContact O-CA 3.38Å; F332-L443 VanDerWaalsContact O-CB 3.24Å; F332-L443 WeakPolarHBondContact O-CB 3.4Å; F332-L443 PolarHBondContact O-N 2.58Å; F332-M444 HydrophobicContact CB-CG 4.13Å; F332-M444 HydrophobicContact CB-SD 4.24Å; F332-M444 HydrophobicContact CD1-SD 4.47Å; F332-M444 PolarHBondContact O-N 2.81Å; F332-P453 HydrophobicContact CD1-CG 3.95Å; F332-P453 HydrophobicContact CD2-CB 4.32Å; F332-P453 HydrophobicContact CE1-CB 4.4Å; F332-P453 HydrophobicContact CE1-CG 3.84Å; F332-P453 HydrophobicContact CE2-CB 4.14Å; F332-P453 HydrophobicContact CE2-CG 4.44Å; F332-P453 HydrophobicContact CG-CG 4.29Å; F332-P453 HydrophobicContact CZ-CB 4.2Å; F332-P453 HydrophobicContact CZ-CG 4.11Å |
| 333 | G | 90.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 7% | 0.072 | 10% | 0.102 | C | C | . | . | trans | 108.5 | 118.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L331 G338 I356 | L331-G333 PolarHBondContact O-N 3.07Å; G333-G338 VanDerWaalsContact O-CA 3.28Å; G333-G338 WeakPolarHBondContact O-CA 3.45Å; G333-I356 WeakPolarHBondContact CA-O 3.5Å; G333-I356 PolarHBondContact N-O 3.25Å | ||
| 334 | S | 92 | Very high | 93 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -100.1 | 25.6 | 174.8 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | D357 F372 | S334-D357 PolarHBondContact N-OD2 3.45Å; S334-F372 WeakPolarHBondContact O-CE2 3.45Å; S334-F372 WeakPolarHBondContact O-CZ 3.4Å | ||
| 335 | G | 89.3 | Confident | 93.2 | Very high | 12 Ų | 12 | 16.6 Ų | 16.6 | 12% | 0.124 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -75.4 | -153.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L337 G338 C339 | G335-L337 PolarHBondContact O-N 3.37Å; G335-G338 PolarHBondContact O-N 3.4Å; G335-C339 PolarHBondContact O-N 3.25Å; G335-C339 PolarHBondContact O-SG 3.43Å |
| 336 | T | 90 | Very high | 93.2 | Very high | 28 Ų | 28 | 15.3 Ų | 15.3 | 17% | 0.172 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | -177.1 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | N340 R368 Q369 S541 | T336-N340 PolarHBondContact O-N 2.99Å; T336-N340 PolarHBondContact O-ND2 2.99Å; T336-R368 WeakPolarHBondContact CG2-O 3.15Å; T336-Q369 PolarHBondContact OG1-NE2 3.32Å; T336-S541 WeakPolarHBondContact CG2-OG 3.36Å |
| 337 | L | 91.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 15.5 Ų | 15.5 | 4% | 0.042 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.8 | -44.4 | 175.7 | -78.1 | 172 | 0 | 0 | 0 | 112 | G335 C339 N340 I341 L443 V467 V469 A544 | G335-L337 PolarHBondContact O-N 3.37Å; L337-C339 PolarHBondContact O-N 3.37Å; L337-N340 PolarHBondContact O-N 3.05Å; L337-I341 WeakPolarHBondContact O-CB 3.3Å; L337-I341 WeakPolarHBondContact O-CG1 3.28Å; L337-I341 PolarHBondContact O-N 2.84Å; L337-L443 HydrophobicContact CB-CB 4.29Å; L337-L443 HydrophobicContact CB-CD2 4.44Å; L337-V467 HydrophobicContact CD1-CB 4.38Å; L337-V467 HydrophobicContact CD1-CG1 4.03Å; L337-V467 WeakPolarHBondContact CD1-O 3.41Å; L337-V467 HydrophobicContact CD2-CG1 3.84Å; L337-V469 HydrophobicContact CD1-CG1 4.11Å; L337-V469 HydrophobicContact CD1-CG2 4.1Å; L337-V469 HydrophobicContact CD2-CG1 3.85Å; L337-V469 HydrophobicContact CG-CG1 4.21Å; L337-V469 HydrophobicContact CG-CG2 4.38Å; L337-A544 HydrophobicContact CD2-CB 4.05Å |
| 338 | G | 93.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54 | -49.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | G333 G335 N340 A342 | G333-G338 VanDerWaalsContact O-CA 3.28Å; G333-G338 WeakPolarHBondContact O-CA 3.45Å; G335-G338 PolarHBondContact O-N 3.4Å; G338-N340 PolarHBondContact O-N 3.29Å; G338-A342 VanDerWaalsContact O-CB 3.3Å; G338-A342 WeakPolarHBondContact O-CB 3.4Å; G338-A342 PolarHBondContact O-N 2.98Å |
| 339 | C | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 177.9 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | G335 L337 R343 Q369 L371 | G335-C339 PolarHBondContact O-N 3.25Å; G335-C339 PolarHBondContact O-SG 3.43Å; L337-C339 PolarHBondContact O-N 3.37Å; C339-R343 WeakPolarHBondContact O-CG 3.32Å; C339-R343 PolarHBondContact O-N 2.97Å; C339-Q369 HydrophobicContact CB-CB 4.45Å; C339-L371 HydrophobicContact CB-CB 4.28Å; C339-L371 HydrophobicContact CB-CD1 4.18Å; C339-L371 HydrophobicContact CB-CG 3.98Å |
| 340 | N | 94.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 15.3 Ų | 15.3 | 4% | 0.043 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.9 | -41.7 | -176.7 | -66.4 | -27.6 | 0 | 0 | 0 | 111.9 | T336 L337 G338 R343 C344 S370 S541 L542 A545 | T336-N340 PolarHBondContact O-N 2.99Å; T336-N340 PolarHBondContact O-ND2 2.99Å; L337-N340 PolarHBondContact O-N 3.05Å; G338-N340 PolarHBondContact O-N 3.29Å; N340-R343 PolarHBondContact O-N 3.29Å; N340-C344 PolarHBondContact O-N 3.36Å; N340-C344 PolarHBondContact O-SG 3.12Å; N340-S370 PolarHBondContact OD1-OG 3.26Å; N340-S541 PolarHBondContact ND2-OG 2.8Å; N340-L542 HydrophobicContact CB-CD2 4.37Å; N340-A545 HydrophobicContact CB-CB 3.57Å |
| 341 | I | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 175.9 | -72.6 | 172.7 | 0 | 0 | 0 | 110.2 | L331 L337 R343 C344 L345 F441 L443 V467 A545 A548 V549 | L331-I341 HydrophobicContact CD2-CG2 4.14Å; L337-I341 WeakPolarHBondContact O-CB 3.3Å; L337-I341 WeakPolarHBondContact O-CG1 3.28Å; L337-I341 PolarHBondContact O-N 2.84Å; I341-R343 VanDerWaalsContact C-N 3.28Å; I341-R343 PolarHBondContact O-N 3.02Å; I341-C344 WeakPolarHBondContact O-CB 3.5Å; I341-C344 PolarHBondContact O-N 2.59Å; I341-L345 HydrophobicContact CG2-CD1 3.86Å; I341-L345 HydrophobicContact CG2-CG 4.07Å; I341-L345 VanDerWaalsContact O-CG 3.3Å; I341-L345 WeakPolarHBondContact O-CG 2.9Å; I341-L345 PolarHBondContact O-N 3.43Å; I341-F441 HydrophobicContact CD1-CD1 4.17Å; I341-F441 HydrophobicContact CG2-CD1 4.22Å; I341-F441 HydrophobicContact CG2-CD2 4.33Å; I341-F441 HydrophobicContact CG2-CE1 4.29Å; I341-F441 HydrophobicContact CG2-CE2 4.39Å; I341-F441 HydrophobicContact CG2-CG 4.24Å; I341-F441 HydrophobicContact CG2-CZ 4.37Å; I341-L443 HydrophobicContact CB-CD1 4.36Å; I341-L443 HydrophobicContact CD1-CD1 3.76Å; I341-L443 HydrophobicContact CD1-CD2 3.35Å; I341-L443 HydrophobicContact CD1-CG 4.21Å; I341-V467 HydrophobicContact CD1-CB 4.27Å; I341-V467 HydrophobicContact CD1-CG1 4.4Å; I341-V467 HydrophobicContact CD1-CG2 3.97Å; I341-A545 HydrophobicContact CG1-CB 3.59Å; I341-A548 HydrophobicContact CD1-CB 4.44Å; I341-V549 HydrophobicContact CG2-CG2 4Å |
| 342 | A | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.4 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L331 G338 L345 G346 L371 L392 | L331-A342 HydrophobicContact CD2-CB 3.93Å; G338-A342 VanDerWaalsContact O-CB 3.3Å; G338-A342 WeakPolarHBondContact O-CB 3.4Å; G338-A342 PolarHBondContact O-N 2.98Å; A342-L345 PolarHBondContact O-N 2.88Å; A342-G346 PolarHBondContact O-N 2.9Å; A342-G346 VanDerWaalsContact O-N 3.11Å; A342-L371 HydrophobicContact CB-CD1 4.17Å; A342-L392 HydrophobicContact CB-CD1 3.88Å; A342-L392 HydrophobicContact CB-CD2 4.06Å |
| 343 | R | 93.4 | Very high | 92.1 | Very high | 124 Ų | 124 | 22.7 Ų | 22.7 | 47% | 0.468 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -65.8 | -42 | 173.6 | -71.1 | -175.6 | 70.5 | 133.5 | 2.4 | 112.5 | C339 N340 I341 G346 S347 S370 L371 | C339-R343 WeakPolarHBondContact O-CG 3.32Å; C339-R343 PolarHBondContact O-N 2.97Å; N340-R343 PolarHBondContact O-N 3.29Å; I341-R343 VanDerWaalsContact C-N 3.28Å; I341-R343 PolarHBondContact O-N 3.02Å; R343-G346 PolarHBondContact O-N 2.97Å; R343-S347 PolarHBondContact O-N 2.86Å; R343-S347 VanDerWaalsContact O-N 3.15Å; R343-S370 WeakPolarHBondContact CD-OG 3.29Å; R343-S370 PolarHBondContact NH1-O 2.83Å; R343-L371 HydrophobicContact CG-CD2 3.76Å; R343-L371 HydrophobicContact CG-CG 4.38Å |
| 344 | C | 94.1 | Very high | 92.4 | Very high | 33 Ų | 33 | 22.4 Ų | 22.4 | 22% | 0.223 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.1 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | N340 I341 G346 S347 W348 V549 | N340-C344 PolarHBondContact O-N 3.36Å; N340-C344 PolarHBondContact O-SG 3.12Å; I341-C344 WeakPolarHBondContact O-CB 3.5Å; I341-C344 PolarHBondContact O-N 2.59Å; C344-G346 VanDerWaalsContact C-N 3.33Å; C344-G346 PolarHBondContact O-N 2.96Å; C344-S347 PolarHBondContact O-N 3.33Å; C344-S347 VanDerWaalsContact O-N 3.1Å; C344-S347 PolarHBondContact O-OG 3.14Å; C344-W348 PolarHBondContact O-N 2.57Å; C344-V549 HydrophobicContact CB-CB 3.97Å; C344-V549 HydrophobicContact CB-CG1 4.17Å; C344-V549 HydrophobicContact CB-CG2 3.64Å |
| 345 | L | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 175.8 | -66.7 | 172.4 | 0 | 0 | 0 | 111.4 | C329 L331 I341 A342 S347 W348 G349 I350 I353 F441 V549 M552 | C329-L345 HydrophobicContact CB-CD1 3.93Å; L331-L345 HydrophobicContact CD1-CD1 3.88Å; L331-L345 HydrophobicContact CD2-CD1 4.37Å; I341-L345 HydrophobicContact CG2-CD1 3.86Å; I341-L345 HydrophobicContact CG2-CG 4.07Å; I341-L345 VanDerWaalsContact O-CG 3.3Å; I341-L345 WeakPolarHBondContact O-CG 2.9Å; I341-L345 PolarHBondContact O-N 3.43Å; A342-L345 PolarHBondContact O-N 2.88Å; L345-S347 VanDerWaalsContact C-N 3.29Å; L345-S347 PolarHBondContact O-N 2.9Å; L345-W348 PolarHBondContact O-N 2.65Å; L345-G349 PolarHBondContact O-N 3.28Å; L345-I350 HydrophobicContact CB-CB 4.35Å; L345-I350 HydrophobicContact CB-CD1 4.19Å; L345-I350 HydrophobicContact CD2-CD1 3.51Å; L345-I350 HydrophobicContact CG-CD1 4.41Å; L345-I350 PolarHBondContact O-N 2.94Å; L345-I353 HydrophobicContact CB-CD1 3.89Å; L345-I353 HydrophobicContact CD1-CD1 4.17Å; L345-F441 HydrophobicContact CD1-CE2 4.25Å; L345-F441 HydrophobicContact CD2-CE2 4.03Å; L345-F441 HydrophobicContact CD2-CZ 4.32Å; L345-V549 HydrophobicContact CD2-CG1 4.02Å; L345-V549 HydrophobicContact CD2-CG2 3.87Å; L345-V549 HydrophobicContact CG-CG2 4.09Å; L345-M552 HydrophobicContact CD2-CE 3.9Å; L345-M552 HydrophobicContact CD2-SD 3.52Å; L345-M552 VanDerWaalsContact CD2-SD 3.52Å |
| 346 | G | 89.7 | Confident | 92.8 | Very high | 12 Ų | 12 | 22 Ų | 22 | 12% | 0.124 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.7 | -35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | A342 R343 C344 W348 G349 M399 | A342-G346 PolarHBondContact O-N 2.9Å; A342-G346 VanDerWaalsContact O-N 3.11Å; R343-G346 PolarHBondContact O-N 2.97Å; C344-G346 VanDerWaalsContact C-N 3.33Å; C344-G346 PolarHBondContact O-N 2.96Å; G346-W348 VanDerWaalsContact C-N 3.31Å; G346-W348 PolarHBondContact O-N 2.84Å; G346-G349 PolarHBondContact O-N 3.37Å; G346-M399 VanDerWaalsContact CA-CE 3.42Å |
| 347 | S | 88.2 | Confident | 92.9 | Very high | 69 Ų | 69 | 21.9 Ų | 21.9 | 48% | 0.483 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -68.8 | -28.1 | 177.4 | 73.9 | 0 | 0 | 0 | 0 | 113.8 | R343 C344 L345 | R343-S347 PolarHBondContact O-N 2.86Å; R343-S347 VanDerWaalsContact O-N 3.15Å; C344-S347 PolarHBondContact O-N 3.33Å; C344-S347 VanDerWaalsContact O-N 3.1Å; C344-S347 PolarHBondContact O-OG 3.14Å; L345-S347 VanDerWaalsContact C-N 3.29Å; L345-S347 PolarHBondContact O-N 2.9Å |
| 348 | W | 90.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 5% | 0.045 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.1 | 170.9 | -88.3 | 104.1 | 0 | 0 | 0 | 113.3 | L308 M311 L319 I324 F325 C344 L345 G346 V549 E550 A553 L578 | L308-W348 WeakPolarHBondContact CD1-O 3.42Å; L308-W348 HydrophobicContact CD2-CE3 4.09Å; L308-W348 HydrophobicContact CD2-CZ3 4.42Å; M311-W348 HydrophobicContact CE-CE3 4.35Å; M311-W348 HydrophobicContact CE-CH2 3.44Å; M311-W348 VanDerWaalsContact CE-CH2 3.44Å; M311-W348 HydrophobicContact CE-CZ2 4.22Å; M311-W348 HydrophobicContact CE-CZ3 3.51Å; L319-W348 HydrophobicContact CD1-CH2 4.27Å; L319-W348 HydrophobicContact CD1-CZ3 4.14Å; L319-W348 HydrophobicContact CD2-CH2 4.41Å; L319-W348 HydrophobicContact CD2-CZ3 4.1Å; I324-W348 HydrophobicContact CD1-CD2 4.39Å; I324-W348 HydrophobicContact CD1-CE3 3.45Å; I324-W348 VanDerWaalsContact CD1-CE3 3.45Å; I324-W348 HydrophobicContact CD1-CH2 4.49Å; I324-W348 HydrophobicContact CD1-CZ3 3.51Å; I324-W348 HydrophobicContact CG2-CB 4.07Å; I324-W348 HydrophobicContact CG2-CE3 4.39Å; I324-W348 WeakPolarHBondContact CG2-O 3.48Å; F325-W348 WeakPolarHBondContact CE1-O 3.25Å; C344-W348 PolarHBondContact O-N 2.57Å; L345-W348 PolarHBondContact O-N 2.65Å; G346-W348 VanDerWaalsContact C-N 3.31Å; G346-W348 PolarHBondContact O-N 2.84Å; W348-V549 VanDerWaalsContact CD1-CG1 3.46Å; W348-V549 HydrophobicContact CG-CG1 4.31Å; W348-E550 WeakPolarHBondContact CZ2-OE1 3.29Å; W348-E550 PolarHBondContact NE1-OE1 2.87Å; W348-A553 HydrophobicContact CD2-CB 4.38Å; W348-A553 HydrophobicContact CH2-CB 4.34Å; W348-A553 HydrophobicContact CZ2-CB 4.08Å; W348-L578 HydrophobicContact CH2-CD1 4.09Å; W348-L578 HydrophobicContact CH2-CD2 3.93Å; W348-L578 HydrophobicContact CZ2-CD2 4.37Å |
| 349 | G | 88.1 | Confident | 92.6 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 6% | 0.062 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 17.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | F325 L345 G346 R351 | F325-G349 WeakPolarHBondContact CD1-O 3.4Å; L345-G349 PolarHBondContact O-N 3.28Å; G346-G349 PolarHBondContact O-N 3.37Å; G349-R351 PolarHBondContact O-N 2.99Å |
| 350 | I | 91.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -66.3 | 127.5 | 173 | -71.9 | 169.1 | 0 | 0 | 0 | 109.5 | I324 L345 I353 M552 | I324-I350 HydrophobicContact CG2-CD1 4.4Å; I324-I350 HydrophobicContact CG2-CG1 4.02Å; L345-I350 HydrophobicContact CB-CB 4.35Å; L345-I350 HydrophobicContact CB-CD1 4.19Å; L345-I350 HydrophobicContact CD2-CD1 3.51Å; L345-I350 HydrophobicContact CG-CD1 4.41Å; L345-I350 PolarHBondContact O-N 2.94Å; I350-I353 HydrophobicContact CG2-CG1 4.16Å; I350-M552 HydrophobicContact CD1-CE 3.54Å; I350-M552 HydrophobicContact CD1-SD 3.99Å | ||
| 351 | R | 87.8 | Confident | 92.4 | Very high | 90 Ų | 90 | 32.2 Ų | 32.2 | 34% | 0.34 | 16% | 0.159 | S | C | . | . | trans | -94.4 | -34.2 | -173 | -61.7 | -176.2 | -177.6 | -135.8 | -8.7 | 113.6 | E301 G349 M399 E400 | E301-R351 IonicContact OE1-CZ 3.29Å; E301-R351 IonicContact OE1-NH1 2.71Å; E301-R351 PolarHBondContact OE1-NH1 2.77Å; E301-R351 VanDerWaalsContact OE1-NH1 3.15Å; E301-R351 IonicContact OE1-NH2 3.75Å; E301-R351 PolarHBondContact OE1-NH2 3.41Å; G349-R351 PolarHBondContact O-N 2.99Å; R351-M399 CarbonylContact O-C 3.56Å; R351-M399 WeakPolarHBondContact O-CG 3.39Å; R351-E400 WeakPolarHBondContact O-CA 3.34Å; R351-E400 PolarHBondContact O-N 3.46Å | ||
| 352 | K | 94.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 34.7 Ų | 34.7 | 29% | 0.287 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110.2 | -173.3 | -173.2 | 174 | 176.7 | -172.5 | 0 | 111.7 | C329 E400 Y402 | C329-K352 PolarHBondContact N-O 3.38Å; K352-E400 WeakPolarHBondContact CA-O 3.46Å; K352-Y402 HydrophobicContact CG-CE2 4.25Å |
| 353 | I | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130 | 179.3 | -59.3 | -175.3 | 0 | 0 | 0 | 109.9 | C329 L331 L345 I350 L355 M399 E400 V401 Y402 | C329-I353 WeakPolarHBondContact O-CA 3.31Å; L331-I353 HydrophobicContact CD1-CG2 4.02Å; L331-I353 HydrophobicContact CD2-CG2 4.49Å; L345-I353 HydrophobicContact CB-CD1 3.89Å; L345-I353 HydrophobicContact CD1-CD1 4.17Å; I350-I353 HydrophobicContact CG2-CG1 4.16Å; I353-L355 HydrophobicContact CG2-CG 4.39Å; I353-M399 HydrophobicContact CD1-CE 3.97Å; I353-M399 HydrophobicContact CD1-SD 3.68Å; I353-M399 HydrophobicContact CG1-SD 4.21Å; I353-E400 PolarHBondContact N-O 3.48Å; I353-V401 VanDerWaalsContact O-CA 3.27Å; I353-V401 WeakPolarHBondContact O-CA 3.17Å; I353-V401 WeakPolarHBondContact O-CG1 3.31Å; I353-Y402 PolarHBondContact O-N 2.8Å |
| 354 | T | 96.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.1 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | C329 L330 L331 Y402 Y404 L433 H437 | C329-T354 PolarHBondContact O-N 2.99Å; L330-T354 HydrophobicContact CD1-CG2 3.49Å; L330-T354 VanDerWaalsContact CD1-CG2 3.49Å; L331-T354 PolarHBondContact N-O 2.96Å; T354-Y402 WeakPolarHBondContact CA-O 3.26Å; T354-Y404 HydrophobicContact CG2-CD2 3.66Å; T354-Y404 HydrophobicContact CG2-CE2 3.59Å; T354-L433 HydrophobicContact CG2-CD2 4.49Å; T354-H437 VanDerWaalsContact CB-NE2 3.32Å; T354-H437 WeakPolarHBondContact CB-NE2 3.46Å; T354-H437 PolarHBondContact OG1-CE1 3.31Å; T354-H437 PolarHBondContact OG1-NE2 3.01Å |
| 355 | L | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.1 | -176.9 | -69.1 | 159.2 | 0 | 0 | 0 | 111.1 | L331 I353 H385 A388 A389 L392 V401 Y402 S403 Y404 | L331-L355 HydrophobicContact CB-CD2 3.94Å; L331-L355 HydrophobicContact CD2-CD2 3.95Å; I353-L355 HydrophobicContact CG2-CG 4.39Å; L355-H385 HydrophobicContact CB-CB 4.49Å; L355-A388 HydrophobicContact CD1-CB 3.7Å; L355-A389 HydrophobicContact CD1-CB 4.33Å; L355-L392 HydrophobicContact CD1-CD1 3.97Å; L355-V401 HydrophobicContact CD1-CG1 4.09Å; L355-Y402 PolarHBondContact N-O 3.48Å; L355-S403 CarbonylContact O-C 3.53Å; L355-S403 WeakPolarHBondContact O-CA 3.46Å; L355-Y404 PolarHBondContact O-N 3.34Å |
| 356 | I | 94.4 | Very high | 91 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.3 | 173 | -60.2 | 174.7 | 0 | 0 | 0 | 109.2 | L330 L331 F332 G333 Y404 F406 L430 L433 | L330-I356 HydrophobicContact CD1-CD1 3.81Å; L330-I356 HydrophobicContact CD1-CG1 4.07Å; L330-I356 HydrophobicContact CD2-CD1 4.32Å; L330-I356 HydrophobicContact CG-CD1 4.35Å; L331-I356 PolarHBondContact O-N 3.14Å; F332-I356 HydrophobicContact CD1-CB 4.4Å; F332-I356 HydrophobicContact CD1-CD1 4.16Å; F332-I356 HydrophobicContact CD1-CG2 4.41Å; F332-I356 HydrophobicContact CE1-CD1 3.69Å; F332-I356 HydrophobicContact CE2-CD1 4.48Å; F332-I356 HydrophobicContact CZ-CD1 3.86Å; G333-I356 WeakPolarHBondContact CA-O 3.5Å; G333-I356 PolarHBondContact N-O 3.25Å; I356-Y404 WeakPolarHBondContact CA-O 3.27Å; I356-F406 HydrophobicContact CG1-CD2 4.47Å; I356-F406 HydrophobicContact CG2-CB 3.89Å; I356-F406 HydrophobicContact CG2-CD2 4.17Å; I356-L430 HydrophobicContact CD1-CD2 3.75Å; I356-L433 HydrophobicContact CD1-CD1 3.86Å; I356-L433 HydrophobicContact CG1-CD1 4.49Å |
| 357 | D | 92.6 | Very high | 90.9 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | trans | -160.9 | 155.8 | 174.3 | -159.1 | -81.8 | 0 | 0 | 0 | 109.7 | S334 G359 K384 H385 Y404 G405 | S334-D357 PolarHBondContact N-OD2 3.45Å; D357-G359 WeakPolarHBondContact OD1-CA 3.4Å; D357-G359 PolarHBondContact OD1-N 2.81Å; D357-K384 HydrophobicContact CB-CB 4.34Å; D357-H385 HydrophobicContact CB-CB 4.18Å; D357-H385 PolarHBondContact O-CD2 3.32Å; D357-Y404 PolarHBondContact N-O 2.92Å; D357-G405 WeakPolarHBondContact O-CA 3.46Å | ||
| 358 | N | 90 | Very high | 90.7 | Very high | 77 Ų | 77 | 44.3 Ų | 44.3 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | trans | -125 | 18.5 | 174 | -164.2 | 15.3 | 0 | 0 | 0 | 113.1 | W383 T407 | N358-W383 WeakPolarHBondContact OD1-CZ3 3.47Å; N358-T407 PolarHBondContact ND2-OG1 3.28Å | ||
| 359 | G | 88.5 | Confident | 90.7 | Very high | 21 Ų | 21 | 44 Ų | 44 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | trans | -95.3 | 156 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D357 K384 | D357-G359 WeakPolarHBondContact OD1-CA 3.4Å; D357-G359 PolarHBondContact OD1-N 2.81Å; G359-K384 WeakPolarHBondContact O-CB 3.32Å; G359-K384 WeakPolarHBondContact O-CG 3.28Å; G359-K384 PolarHBondContact O-N 3.4Å | ||
| 360 | R | 92.8 | Very high | 90.8 | Very high | 131 Ų | 131 | 45.6 Ų | 45.6 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -98.4 | 152.5 | 168.7 | -67 | -172.9 | 176 | -165.4 | -0.2 | 111.8 | S362 K382 W383 K384 | R360-S362 PolarHBondContact O-N 3.05Å; R360-K382 CarbonylContact C-O 3.57Å; R360-K382 WeakPolarHBondContact CA-O 3.26Å; R360-W383 HydrophobicContact CG-CD2 4.18Å; R360-W383 HydrophobicContact CG-CE3 3.83Å; R360-W383 HydrophobicContact CG-CZ3 4.02Å; R360-K384 VanDerWaalsContact O-CE 3.3Å; R360-K384 WeakPolarHBondContact O-CE 3.21Å |
| 361 | V | 91.4 | Very high | 91 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | trans | -74.3 | 114.6 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | N365 F372 D376 G381 K382 K384 A387 | V361-N365 HydrophobicContact CG1-CB 4.13Å; V361-F372 HydrophobicContact CG1-CB 3.89Å; V361-F372 HydrophobicContact CG1-CD2 4.09Å; V361-F372 HydrophobicContact CG1-CG 3.95Å; V361-F372 HydrophobicContact CG2-CD1 3.88Å; V361-F372 HydrophobicContact CG2-CD2 4.07Å; V361-F372 HydrophobicContact CG2-CE1 4Å; V361-F372 HydrophobicContact CG2-CE2 4.2Å; V361-F372 HydrophobicContact CG2-CG 3.94Å; V361-F372 HydrophobicContact CG2-CZ 4.18Å; V361-D376 HydrophobicContact CB-CB 4.49Å; V361-D376 HydrophobicContact CG1-CB 4.21Å; V361-G381 VanDerWaalsContact O-CA 3.31Å; V361-G381 WeakPolarHBondContact O-CA 3.36Å; V361-K382 WeakPolarHBondContact CG2-O 3.22Å; V361-K382 PolarHBondContact N-O 3.17Å; V361-K384 HydrophobicContact CG2-CG 3.89Å; V361-A387 HydrophobicContact CG2-CB 3.97Å | ||
| 362 | S | 90.6 | Very high | 91.3 | Very high | 52 Ų | 52 | 42 Ų | 42 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | trans | -93.8 | 161.1 | 173 | 73.7 | 0 | 0 | 0 | 0 | 111.6 | R360 S364 N365 P366 C377 | R360-S362 PolarHBondContact O-N 3.05Å; S362-S364 PolarHBondContact O-N 2.9Å; S362-S364 PolarHBondContact OG-OG 3.04Å; S362-N365 WeakPolarHBondContact CA-OD1 3.3Å; S362-N365 WeakPolarHBondContact CB-OD1 3.4Å; S362-N365 PolarHBondContact N-OD1 3.23Å; S362-N365 VanDerWaalsContact O-CB 3.31Å; S362-N365 WeakPolarHBondContact O-CB 3.43Å; S362-N365 PolarHBondContact O-N 3.32Å; S362-N365 PolarHBondContact O-OD1 3.13Å; S362-N365 PolarHBondContact OG-OD1 3.34Å; S362-P366 WeakPolarHBondContact O-CD 3.34Å; S362-C377 PolarHBondContact O-SG 2.92Å; S362-C377 VanDerWaalsContact O-SG 3.37Å | ||
| 363 | Y | 89.1 | Confident | 91.2 | Very high | 161 Ų | 161 | 42.5 Ų | 42.5 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -21.6 | 176.2 | -75.8 | -82.1 | 0 | 0 | 0 | 114.8 | N365 V374 C377 | Y363-N365 VanDerWaalsContact C-N 3.33Å; Y363-V374 HydrophobicContact CE1-CG1 4.44Å; Y363-C377 HydrophobicContact CD1-CB 3.77Å; Y363-C377 HydrophobicContact CD2-CB 4.14Å; Y363-C377 HydrophobicContact CE1-CB 3.75Å; Y363-C377 HydrophobicContact CE2-CB 4.12Å; Y363-C377 HydrophobicContact CG-CB 3.97Å |
| 364 | S | 85.8 | Confident | 91.1 | Very high | 60 Ų | 60 | 47 Ų | 47 | 42% | 0.42 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17.7 | 176.7 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | S362 R368 | S362-S364 PolarHBondContact O-N 2.9Å; S362-S364 PolarHBondContact OG-OG 3.04Å; S364-R368 VanDerWaalsContact C-NH1 3.3Å; S364-R368 VanDerWaalsContact CB-NH1 3.32Å; S364-R368 PolarHBondContact O-NH1 3.02Å; S364-R368 PolarHBondContact OG-NH1 2.58Å; S364-R368 PolarHBondContact OG-NH2 2.73Å |
| 365 | N | 88.9 | Confident | 90.9 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -73.7 | -45.9 | -170.7 | -67.3 | 127.5 | 0 | 0 | 0 | 114.5 | V361 S362 Y363 A367 R368 Q369 F372 | V361-N365 HydrophobicContact CG1-CB 4.13Å; S362-N365 WeakPolarHBondContact CA-OD1 3.3Å; S362-N365 WeakPolarHBondContact CB-OD1 3.4Å; S362-N365 PolarHBondContact N-OD1 3.23Å; S362-N365 VanDerWaalsContact O-CB 3.31Å; S362-N365 WeakPolarHBondContact O-CB 3.43Å; S362-N365 PolarHBondContact O-N 3.32Å; S362-N365 PolarHBondContact O-OD1 3.13Å; S362-N365 PolarHBondContact OG-OD1 3.34Å; Y363-N365 VanDerWaalsContact C-N 3.33Å; N365-A367 PolarHBondContact O-N 2.87Å; N365-R368 PolarHBondContact ND2-NH2 3.47Å; N365-R368 PolarHBondContact O-N 3.12Å; N365-Q369 HydrophobicContact CB-CB 4.5Å; N365-Q369 VanDerWaalsContact CB-OE1 3.24Å; N365-Q369 PolarHBondContact ND2-NE2 2.94Å; N365-Q369 PolarHBondContact ND2-OE1 3.13Å; N365-Q369 VanDerWaalsContact ND2-OE1 3.08Å; N365-Q369 WeakPolarHBondContact O-CB 3.3Å; N365-Q369 PolarHBondContact O-N 3.28Å; N365-F372 HydrophobicContact CB-CD2 4.15Å |
| 366 | P | 89.2 | Confident | 90.8 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.1 | -174.4 | -30.7 | 37.1 | 0 | 0 | 0 | 115.1 | S362 R368 F372 T373 | S362-P366 WeakPolarHBondContact O-CD 3.34Å; P366-R368 VanDerWaalsContact C-N 3.29Å; P366-R368 PolarHBondContact O-N 3.2Å; P366-F372 HydrophobicContact CG-CB 4.49Å; P366-T373 WeakPolarHBondContact CG-O 3.34Å |
| 367 | A | 86.1 | Confident | 90.6 | Very high | 102 Ų | 102 | 53.7 Ų | 53.7 | 84% | 0.843 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N365 | N365-A367 PolarHBondContact O-N 2.87Š|
| 368 | R | 85.5 | Confident | 90.4 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -17.8 | -176.3 | 64.3 | -178.3 | -173 | -92 | 7.4 | 114.3 | T336 S364 N365 P366 | T336-R368 WeakPolarHBondContact CG2-O 3.15Å; S364-R368 VanDerWaalsContact C-NH1 3.3Å; S364-R368 VanDerWaalsContact CB-NH1 3.32Å; S364-R368 PolarHBondContact O-NH1 3.02Å; S364-R368 PolarHBondContact OG-NH1 2.58Å; S364-R368 PolarHBondContact OG-NH2 2.73Å; N365-R368 PolarHBondContact ND2-NH2 3.47Å; N365-R368 PolarHBondContact O-N 3.12Å; P366-R368 VanDerWaalsContact C-N 3.29Å; P366-R368 PolarHBondContact O-N 3.2Å |
| 369 | Q | 90.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | trans | -111.9 | 100.8 | -176.9 | -78.1 | 161.3 | 22.1 | 0 | 0 | 109.5 | T336 C339 N365 L371 F372 | T336-Q369 PolarHBondContact OG1-NE2 3.32Å; C339-Q369 HydrophobicContact CB-CB 4.45Å; N365-Q369 HydrophobicContact CB-CB 4.5Å; N365-Q369 VanDerWaalsContact CB-OE1 3.24Å; N365-Q369 PolarHBondContact ND2-NE2 2.94Å; N365-Q369 PolarHBondContact ND2-OE1 3.13Å; N365-Q369 VanDerWaalsContact ND2-OE1 3.08Å; N365-Q369 WeakPolarHBondContact O-CB 3.3Å; N365-Q369 PolarHBondContact O-N 3.28Å; Q369-L371 PolarHBondContact O-N 3.1Å; Q369-F372 HydrophobicContact CB-CD2 3.44Å; Q369-F372 VanDerWaalsContact CB-CD2 3.44Å; Q369-F372 HydrophobicContact CB-CE2 3.87Å; Q369-F372 HydrophobicContact CB-CG 4.34Å; Q369-F372 HydrophobicContact CG-CD2 4.24Å; Q369-F372 HydrophobicContact CG-CE2 4.26Å; Q369-F372 PolarHBondContact O-N 3.37Å; Q369-F372 VanDerWaalsContact OE1-CD2 3.24Å | ||
| 370 | S | 89.4 | Confident | 90 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -0.1 | -166.4 | 54.6 | 0 | 0 | 0 | 0 | 116.3 | N340 R343 | N340-S370 PolarHBondContact OD1-OG 3.26Å; R343-S370 WeakPolarHBondContact CD-OG 3.29Å; R343-S370 PolarHBondContact NH1-O 2.83Å |
| 371 | L | 94.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -2.7 | 175.7 | -64.2 | 179.7 | 0 | 0 | 0 | 113.3 | C339 A342 R343 Q369 A388 A391 L392 I395 | C339-L371 HydrophobicContact CB-CB 4.28Å; C339-L371 HydrophobicContact CB-CD1 4.18Å; C339-L371 HydrophobicContact CB-CG 3.98Å; A342-L371 HydrophobicContact CB-CD1 4.17Å; R343-L371 HydrophobicContact CG-CD2 3.76Å; R343-L371 HydrophobicContact CG-CG 4.38Å; Q369-L371 PolarHBondContact O-N 3.1Å; L371-A388 HydrophobicContact CB-CB 4.34Å; L371-A388 HydrophobicContact CD1-CB 3.8Å; L371-A391 HydrophobicContact CB-CB 4Å; L371-A391 HydrophobicContact CD2-CB 4.14Å; L371-A391 WeakPolarHBondContact O-CB 3.23Å; L371-L392 HydrophobicContact CD1-CD1 4.08Å; L371-L392 HydrophobicContact CD1-CD2 4.11Å; L371-L392 HydrophobicContact CD1-CG 3.85Å; L371-L392 HydrophobicContact CD2-CD2 3.9Å; L371-L392 HydrophobicContact CD2-CG 4.09Å; L371-I395 HydrophobicContact CD2-CD1 3.63Å |
| 372 | F | 94.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | trans | -111.4 | 143.2 | -178.8 | -55.1 | -37 | 0 | 0 | 0 | 111.1 | S334 V361 N365 P366 Q369 K384 A387 A388 | S334-F372 WeakPolarHBondContact O-CE2 3.45Å; S334-F372 WeakPolarHBondContact O-CZ 3.4Å; V361-F372 HydrophobicContact CG1-CB 3.89Å; V361-F372 HydrophobicContact CG1-CD2 4.09Å; V361-F372 HydrophobicContact CG1-CG 3.95Å; V361-F372 HydrophobicContact CG2-CD1 3.88Å; V361-F372 HydrophobicContact CG2-CD2 4.07Å; V361-F372 HydrophobicContact CG2-CE1 4Å; V361-F372 HydrophobicContact CG2-CE2 4.2Å; V361-F372 HydrophobicContact CG2-CG 3.94Å; V361-F372 HydrophobicContact CG2-CZ 4.18Å; N365-F372 HydrophobicContact CB-CD2 4.15Å; P366-F372 HydrophobicContact CG-CB 4.49Å; Q369-F372 HydrophobicContact CB-CD2 3.44Å; Q369-F372 VanDerWaalsContact CB-CD2 3.44Å; Q369-F372 HydrophobicContact CB-CE2 3.87Å; Q369-F372 HydrophobicContact CB-CG 4.34Å; Q369-F372 HydrophobicContact CG-CD2 4.24Å; Q369-F372 HydrophobicContact CG-CE2 4.26Å; Q369-F372 PolarHBondContact O-N 3.37Å; Q369-F372 VanDerWaalsContact OE1-CD2 3.24Å; F372-K384 WeakPolarHBondContact CE1-O 3.38Å; F372-K384 HydrophobicContact CE2-CB 4.34Å; F372-K384 HydrophobicContact CE2-CD 4.38Å; F372-K384 HydrophobicContact CE2-CG 3.94Å; F372-K384 HydrophobicContact CZ-CB 3.8Å; F372-K384 HydrophobicContact CZ-CG 3.89Å; F372-K384 WeakPolarHBondContact CZ-O 3.3Å; F372-A387 HydrophobicContact CD1-CB 3.73Å; F372-A387 HydrophobicContact CE1-CB 3.65Å; F372-A388 HydrophobicContact CE1-CB 3.78Å; F372-A388 HydrophobicContact CZ-CB 4.15Å | ||
| 373 | T | 93.5 | Very high | 90.1 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | trans | -115.7 | 167.9 | 174.9 | 67.9 | 0 | 0 | 0 | 0 | 110.2 | P366 Q375 D376 | P366-T373 WeakPolarHBondContact CG-O 3.34Å; T373-Q375 PolarHBondContact O-N 3.01Å; T373-Q375 PolarHBondContact OG1-N 3.1Å; T373-D376 PolarHBondContact N-OD2 2.87Å; T373-D376 WeakPolarHBondContact O-CB 3.38Å; T373-D376 PolarHBondContact O-N 3.05Å; T373-D376 PolarHBondContact OG1-OD2 2.83Å | ||
| 374 | V | 92.3 | Very high | 90.4 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -58.5 | -31.7 | 174.8 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | Y363 D376 C377 | Y363-V374 HydrophobicContact CE1-CG1 4.44Å; V374-D376 PolarHBondContact O-N 2.67Å; V374-C377 WeakPolarHBondContact O-CB 3.45Å; V374-C377 PolarHBondContact O-N 2.74Å; V374-C377 VanDerWaalsContact O-N 3.08Å |
| 375 | Q | 92.5 | Very high | 90.8 | Very high | 126 Ų | 126 | 53 Ų | 53 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -61.9 | -29 | 177.9 | -169.5 | 61.1 | 34.3 | 0 | 0 | 112.4 | T373 C377 | T373-Q375 PolarHBondContact O-N 3.01Å; T373-Q375 PolarHBondContact OG1-N 3.1Å; Q375-C377 PolarHBondContact O-N 3.17Å |
| 376 | D | 93.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -78.4 | -9.5 | 179.7 | -56.1 | -57.6 | 0 | 0 | 0 | 112.9 | V361 T373 V374 G381 K382 A387 | V361-D376 HydrophobicContact CB-CB 4.49Å; V361-D376 HydrophobicContact CG1-CB 4.21Å; T373-D376 PolarHBondContact N-OD2 2.87Å; T373-D376 WeakPolarHBondContact O-CB 3.38Å; T373-D376 PolarHBondContact O-N 3.05Å; T373-D376 PolarHBondContact OG1-OD2 2.83Å; V374-D376 PolarHBondContact O-N 2.67Å; D376-G381 WeakPolarHBondContact O-CA 3.46Å; D376-K382 HydrophobicContact CB-CD 4.37Å; D376-K382 PolarHBondContact O-N 2.8Å; D376-K382 IonicContact OD1-NZ 2.73Å; D376-K382 PolarHBondContact OD1-NZ 2.77Å; D376-A387 HydrophobicContact CB-CB 4.45Å |
| 377 | C | 91.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -90.1 | -14.9 | 177.6 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | S362 Y363 V374 Q375 G381 | S362-C377 PolarHBondContact O-SG 2.92Å; S362-C377 VanDerWaalsContact O-SG 3.37Å; Y363-C377 HydrophobicContact CD1-CB 3.77Å; Y363-C377 HydrophobicContact CD2-CB 4.14Å; Y363-C377 HydrophobicContact CE1-CB 3.75Å; Y363-C377 HydrophobicContact CE2-CB 4.12Å; Y363-C377 HydrophobicContact CG-CB 3.97Å; V374-C377 WeakPolarHBondContact O-CB 3.45Å; V374-C377 PolarHBondContact O-N 2.74Å; V374-C377 VanDerWaalsContact O-N 3.08Å; Q375-C377 PolarHBondContact O-N 3.17Å; C377-G381 PolarHBondContact O-N 2.8Å |
| 378 | I | 88.5 | Confident | 91.8 | Very high | 62 Ų | 62 | 51.1 Ų | 51.1 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -69.2 | 154.1 | -175.7 | -55.4 | -176.1 | 0 | 0 | 0 | 109.6 | G380 G381 | I378-G380 VanDerWaalsContact C-N 3.32Å; I378-G380 PolarHBondContact O-N 3.03Å; I378-G381 PolarHBondContact O-N 3.11Å; I378-G381 VanDerWaalsContact O-N 3.14Å |
| 379 | D | 87.8 | Confident | 92.3 | Very high | 162 Ų | 162 | 47.6 Ų | 47.6 | 87% | 0.866 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | 56.4 | 38.3 | 177.3 | -55.9 | -35.8 | 0 | 0 | 0 | 115.1 | ||
| 380 | G | 82.3 | Confident | 92.4 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 58% | 0.577 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | 86.6 | 7.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I378 | I378-G380 VanDerWaalsContact C-N 3.32Å; I378-G380 PolarHBondContact O-N 3.03Å |
| 381 | G | 87.8 | Confident | 92.7 | Very high | 8 Ų | 8 | 49 Ų | 49 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | trans | 80.7 | 131.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V361 D376 C377 I378 | V361-G381 VanDerWaalsContact O-CA 3.31Å; V361-G381 WeakPolarHBondContact O-CA 3.36Å; D376-G381 WeakPolarHBondContact O-CA 3.46Å; C377-G381 PolarHBondContact O-N 2.8Å; I378-G381 PolarHBondContact O-N 3.11Å; I378-G381 VanDerWaalsContact O-N 3.14Å | ||
| 382 | K | 93.6 | Very high | 92.6 | Very high | 99 Ų | 99 | 48.8 Ų | 48.8 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | trans | -64.1 | 158.6 | 171.9 | -67.2 | -176.8 | -171.8 | 160.5 | 0 | 111 | R360 V361 D376 K384 A387 | R360-K382 CarbonylContact C-O 3.57Å; R360-K382 WeakPolarHBondContact CA-O 3.26Å; V361-K382 WeakPolarHBondContact CG2-O 3.22Å; V361-K382 PolarHBondContact N-O 3.17Å; D376-K382 HydrophobicContact CB-CD 4.37Å; D376-K382 PolarHBondContact O-N 2.8Å; D376-K382 IonicContact OD1-NZ 2.73Å; D376-K382 PolarHBondContact OD1-NZ 2.77Å; K382-K384 PolarHBondContact O-N 3.43Å; K382-A387 HydrophobicContact CB-CB 4.13Å; K382-A387 HydrophobicContact CD-CB 4.46Å | ||
| 383 | W | 95.1 | Very high | 92.4 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -64.3 | 134.3 | 169.2 | -64.1 | 106.8 | 0 | 0 | 0 | 110.5 | N358 R360 H385 E386 A387 | N358-W383 WeakPolarHBondContact OD1-CZ3 3.47Å; R360-W383 HydrophobicContact CG-CD2 4.18Å; R360-W383 HydrophobicContact CG-CE3 3.83Å; R360-W383 HydrophobicContact CG-CZ3 4.02Å; W383-H385 VanDerWaalsContact C-N 3.31Å; W383-H385 WeakPolarHBondContact CB-NE2 3.41Å; W383-H385 AromaticContact CG-NE2 3.9Å; W383-H385 PolarHBondContact O-N 2.79Å; W383-E386 HydrophobicContact CB-CB 4.31Å; W383-E386 PolarHBondContact O-N 2.88Å; W383-A387 WeakPolarHBondContact O-CB 3.24Å; W383-A387 PolarHBondContact O-N 3.31Å |
| 384 | K | 94.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -40.7 | -174.6 | -77.7 | 179.5 | 179.8 | 168.6 | 0 | 112.6 | D357 G359 R360 V361 F372 K382 A388 | D357-K384 HydrophobicContact CB-CB 4.34Å; G359-K384 WeakPolarHBondContact O-CB 3.32Å; G359-K384 WeakPolarHBondContact O-CG 3.28Å; G359-K384 PolarHBondContact O-N 3.4Å; R360-K384 VanDerWaalsContact O-CE 3.3Å; R360-K384 WeakPolarHBondContact O-CE 3.21Å; V361-K384 HydrophobicContact CG2-CG 3.89Å; F372-K384 WeakPolarHBondContact CE1-O 3.38Å; F372-K384 HydrophobicContact CE2-CB 4.34Å; F372-K384 HydrophobicContact CE2-CD 4.38Å; F372-K384 HydrophobicContact CE2-CG 3.94Å; F372-K384 HydrophobicContact CZ-CB 3.8Å; F372-K384 HydrophobicContact CZ-CG 3.89Å; F372-K384 WeakPolarHBondContact CZ-O 3.3Å; K382-K384 PolarHBondContact O-N 3.43Å; K384-A388 VanDerWaalsContact O-CB 3.23Å; K384-A388 WeakPolarHBondContact O-CB 3.37Å; K384-A388 PolarHBondContact O-N 3.42Å |
| 385 | H | 94.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 179.4 | 65.4 | 82.7 | 0 | 0 | 0 | 111.8 | L355 D357 W383 A389 S403 G405 | L355-H385 HydrophobicContact CB-CB 4.49Å; D357-H385 HydrophobicContact CB-CB 4.18Å; D357-H385 PolarHBondContact O-CD2 3.32Å; W383-H385 VanDerWaalsContact C-N 3.31Å; W383-H385 WeakPolarHBondContact CB-NE2 3.41Å; W383-H385 AromaticContact CG-NE2 3.9Å; W383-H385 PolarHBondContact O-N 2.79Å; H385-A389 WeakPolarHBondContact O-CB 3.43Å; H385-A389 PolarHBondContact O-N 2.86Å; H385-A389 VanDerWaalsContact O-N 3.08Å; H385-S403 WeakPolarHBondContact ND1-CB 3.23Å; H385-S403 PolarHBondContact ND1-OG 2.9Å; H385-S403 VanDerWaalsContact O-CB 3.3Å; H385-S403 WeakPolarHBondContact O-CB 3.16Å; H385-G405 WeakPolarHBondContact NE2-CA 3.47Å |
| 386 | E | 95.1 | Very high | 91.8 | Very high | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -47.2 | 177.7 | -87.4 | 163.7 | -160.6 | 0 | 0 | 112.1 | W383 A388 A389 A390 | W383-E386 HydrophobicContact CB-CB 4.31Å; W383-E386 PolarHBondContact O-N 2.88Å; E386-A388 VanDerWaalsContact C-N 3.31Å; E386-A388 PolarHBondContact O-N 3.37Å; E386-A389 PolarHBondContact O-N 2.84Å; E386-A390 WeakPolarHBondContact O-CB 3.36Å; E386-A390 PolarHBondContact O-N 2.88Å |
| 387 | A | 95.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V361 F372 D376 K382 W383 A390 A391 | V361-A387 HydrophobicContact CG2-CB 3.97Å; F372-A387 HydrophobicContact CD1-CB 3.73Å; F372-A387 HydrophobicContact CE1-CB 3.65Å; D376-A387 HydrophobicContact CB-CB 4.45Å; K382-A387 HydrophobicContact CB-CB 4.13Å; K382-A387 HydrophobicContact CD-CB 4.46Å; W383-A387 WeakPolarHBondContact O-CB 3.24Å; W383-A387 PolarHBondContact O-N 3.31Å; A387-A390 PolarHBondContact O-N 2.95Å; A387-A391 WeakPolarHBondContact O-CB 3.47Å; A387-A391 PolarHBondContact O-N 3.12Å |
| 388 | A | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L355 L371 F372 K384 E386 A391 L392 | L355-A388 HydrophobicContact CD1-CB 3.7Å; L371-A388 HydrophobicContact CB-CB 4.34Å; L371-A388 HydrophobicContact CD1-CB 3.8Å; F372-A388 HydrophobicContact CE1-CB 3.78Å; F372-A388 HydrophobicContact CZ-CB 4.15Å; K384-A388 VanDerWaalsContact O-CB 3.23Å; K384-A388 WeakPolarHBondContact O-CB 3.37Å; K384-A388 PolarHBondContact O-N 3.42Å; E386-A388 VanDerWaalsContact C-N 3.31Å; E386-A388 PolarHBondContact O-N 3.37Å; A388-A391 PolarHBondContact O-N 3.47Å; A388-L392 VanDerWaalsContact O-CG 3.32Å; A388-L392 WeakPolarHBondContact O-CG 3.01Å; A388-L392 PolarHBondContact O-N 2.88Å |
| 389 | A | 95 | Very high | 90.7 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L355 H385 E386 L392 K393 V401 | L355-A389 HydrophobicContact CD1-CB 4.33Å; H385-A389 WeakPolarHBondContact O-CB 3.43Å; H385-A389 PolarHBondContact O-N 2.86Å; H385-A389 VanDerWaalsContact O-N 3.08Å; E386-A389 PolarHBondContact O-N 2.84Å; A389-L392 PolarHBondContact O-N 2.98Å; A389-K393 WeakPolarHBondContact O-CG 3.31Å; A389-K393 PolarHBondContact O-N 2.83Å; A389-K393 VanDerWaalsContact O-N 3.14Å; A389-V401 HydrophobicContact CB-CB 4.34Å; A389-V401 HydrophobicContact CB-CG1 3.67Å |
| 390 | A | 94.4 | Very high | 90.9 | Very high | 59 Ų | 59 | 51 Ų | 51 | 49% | 0.488 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E386 A387 L392 K393 Q394 | E386-A390 WeakPolarHBondContact O-CB 3.36Å; E386-A390 PolarHBondContact O-N 2.88Å; A387-A390 PolarHBondContact O-N 2.95Å; A390-L392 PolarHBondContact O-N 3.1Å; A390-K393 PolarHBondContact O-N 2.87Å; A390-Q394 PolarHBondContact O-N 3.18Å |
| 391 | A | 94.8 | Very high | 91.5 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 12% | 0.124 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L371 A387 A388 Q394 I395 | L371-A391 HydrophobicContact CB-CB 4Å; L371-A391 HydrophobicContact CD2-CB 4.14Å; L371-A391 WeakPolarHBondContact O-CB 3.23Å; A387-A391 WeakPolarHBondContact O-CB 3.47Å; A387-A391 PolarHBondContact O-N 3.12Å; A388-A391 PolarHBondContact O-N 3.47Å; A391-Q394 PolarHBondContact O-N 2.85Å; A391-I395 WeakPolarHBondContact O-CD1 3.38Å; A391-I395 WeakPolarHBondContact O-CG1 3.47Å; A391-I395 PolarHBondContact O-N 2.91Å |
| 392 | L | 92.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.5 | -74.2 | 166.1 | 0 | 0 | 0 | 112.3 | A342 L355 L371 A388 A389 A390 Q394 I395 F396 M399 V401 | A342-L392 HydrophobicContact CB-CD1 3.88Å; A342-L392 HydrophobicContact CB-CD2 4.06Å; L355-L392 HydrophobicContact CD1-CD1 3.97Å; L371-L392 HydrophobicContact CD1-CD1 4.08Å; L371-L392 HydrophobicContact CD1-CD2 4.11Å; L371-L392 HydrophobicContact CD1-CG 3.85Å; L371-L392 HydrophobicContact CD2-CD2 3.9Å; L371-L392 HydrophobicContact CD2-CG 4.09Å; A388-L392 VanDerWaalsContact O-CG 3.32Å; A388-L392 WeakPolarHBondContact O-CG 3.01Å; A388-L392 PolarHBondContact O-N 2.88Å; A389-L392 PolarHBondContact O-N 2.98Å; A390-L392 PolarHBondContact O-N 3.1Å; L392-Q394 VanDerWaalsContact C-N 3.27Å; L392-Q394 PolarHBondContact O-N 2.77Å; L392-I395 PolarHBondContact O-N 2.96Å; L392-F396 PolarHBondContact O-N 3.39Å; L392-M399 HydrophobicContact CB-SD 4.03Å; L392-M399 HydrophobicContact CD1-SD 4.48Å; L392-M399 HydrophobicContact CD2-SD 4.2Å; L392-M399 HydrophobicContact CG-SD 4.47Å; L392-V401 HydrophobicContact CB-CG2 3.84Å; L392-V401 HydrophobicContact CD1-CG1 4.01Å; L392-V401 HydrophobicContact CD1-CG2 4.33Å |
| 393 | K | 91.3 | Very high | 91.9 | Very high | 104 Ų | 104 | 49.8 Ų | 49.8 | 45% | 0.452 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 174.8 | -73.1 | 178.6 | 180 | 172.5 | 0 | 112.5 | A389 A390 F396 P397 V401 | A389-K393 WeakPolarHBondContact O-CG 3.31Å; A389-K393 PolarHBondContact O-N 2.83Å; A389-K393 VanDerWaalsContact O-N 3.14Å; A390-K393 PolarHBondContact O-N 2.87Å; K393-F396 CarbonylContact O-C 3.54Å; K393-P397 VanDerWaalsContact O-CA 3.25Å; K393-P397 WeakPolarHBondContact O-CA 3.35Å; K393-V401 WeakPolarHBondContact CE-O 3.42Å; K393-V401 HydrophobicContact CG-CB 4.35Å; K393-V401 HydrophobicContact CG-CG2 4.27Å; K393-V401 PolarHBondContact NZ-O 2.76Å |
| 394 | Q | 90.2 | Very high | 91.9 | Very high | 166 Ų | 166 | 49.2 Ų | 49.2 | 78% | 0.776 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -72.3 | -37.5 | 174.2 | -170.8 | 180 | 5.6 | 0 | 0 | 112.3 | A390 A391 L392 | A390-Q394 PolarHBondContact O-N 3.18Å; A391-Q394 PolarHBondContact O-N 2.85Å; L392-Q394 VanDerWaalsContact C-N 3.27Å; L392-Q394 PolarHBondContact O-N 2.77Å |
| 395 | I | 88.8 | Confident | 91.6 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.8 | -43.8 | 179.9 | -69.6 | 163.1 | 0 | 0 | 0 | 111.1 | L371 A391 L392 | L371-I395 HydrophobicContact CD2-CD1 3.63Å; A391-I395 WeakPolarHBondContact O-CD1 3.38Å; A391-I395 WeakPolarHBondContact O-CG1 3.47Å; A391-I395 PolarHBondContact O-N 2.91Å; L392-I395 PolarHBondContact O-N 2.96Å |
| 396 | F | 85.6 | Confident | 91.1 | Very high | 16 Ų | 16 | 50 Ų | 50 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | trans | -135.5 | 92.1 | 179.5 | -171.1 | -136.4 | 0 | 0 | 0 | 110.1 | L392 K393 A398 M399 | L392-F396 PolarHBondContact O-N 3.39Å; K393-F396 CarbonylContact O-C 3.54Å; F396-A398 HydrophobicContact CE1-CB 4.24Å; F396-A398 HydrophobicContact CE2-CB 4.11Å; F396-A398 HydrophobicContact CZ-CB 3.89Å; F396-A398 PolarHBondContact O-N 3.02Å; F396-M399 HydrophobicContact CB-CB 4.42Å; F396-M399 HydrophobicContact CB-CE 4.42Å; F396-M399 HydrophobicContact CD1-CB 3.91Å; F396-M399 HydrophobicContact CD1-CE 3.96Å; F396-M399 VanDerWaalsContact O-CB 3.24Å; F396-M399 WeakPolarHBondContact O-CB 3.5Å; F396-M399 PolarHBondContact O-N 3.17Å | ||
| 397 | P | 82.9 | Confident | 90.5 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.7 | -173.8 | -28.8 | 36 | 0 | 0 | 0 | 115.7 | K393 M399 | K393-P397 VanDerWaalsContact O-CA 3.25Å; K393-P397 WeakPolarHBondContact O-CA 3.35Å; P397-M399 PolarHBondContact O-N 3.3Å |
| 398 | A | 81.7 | Confident | 90.2 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F396 | F396-A398 HydrophobicContact CE1-CB 4.24Å; F396-A398 HydrophobicContact CE2-CB 4.11Å; F396-A398 HydrophobicContact CZ-CB 3.89Å; F396-A398 PolarHBondContact O-N 3.02Å |
| 399 | M | 86.8 | Confident | 89.9 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | trans | -83.6 | 127.4 | -178.4 | -160.1 | -178.5 | -84.8 | 0 | 0 | 112 | G346 R351 I353 L392 F396 P397 V401 | G346-M399 VanDerWaalsContact CA-CE 3.42Å; R351-M399 CarbonylContact O-C 3.56Å; R351-M399 WeakPolarHBondContact O-CG 3.39Å; I353-M399 HydrophobicContact CD1-CE 3.97Å; I353-M399 HydrophobicContact CD1-SD 3.68Å; I353-M399 HydrophobicContact CG1-SD 4.21Å; L392-M399 HydrophobicContact CB-SD 4.03Å; L392-M399 HydrophobicContact CD1-SD 4.48Å; L392-M399 HydrophobicContact CD2-SD 4.2Å; L392-M399 HydrophobicContact CG-SD 4.47Å; F396-M399 HydrophobicContact CB-CB 4.42Å; F396-M399 HydrophobicContact CB-CE 4.42Å; F396-M399 HydrophobicContact CD1-CB 3.91Å; F396-M399 HydrophobicContact CD1-CE 3.96Å; F396-M399 VanDerWaalsContact O-CB 3.24Å; F396-M399 WeakPolarHBondContact O-CB 3.5Å; F396-M399 PolarHBondContact O-N 3.17Å; P397-M399 PolarHBondContact O-N 3.3Å; M399-V401 HydrophobicContact CB-CG2 3.94Å; M399-V401 HydrophobicContact CG-CG2 3.49Å; M399-V401 VanDerWaalsContact CG-CG2 3.49Å; M399-V401 PolarHBondContact O-N 3.28Å; M399-V401 HydrophobicContact SD-CG2 3.5Å; M399-V401 WeakPolarHBondContact SD-CG2 3.23Å | ||
| 400 | E | 92.1 | Very high | 89.5 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 93.3 | 170.5 | -67.2 | -179.5 | -156.8 | 0 | 0 | 110 | R351 K352 I353 Y402 | R351-E400 WeakPolarHBondContact O-CA 3.34Å; R351-E400 PolarHBondContact O-N 3.46Å; K352-E400 WeakPolarHBondContact CA-O 3.46Å; I353-E400 PolarHBondContact N-O 3.48Å; E400-Y402 HydrophobicContact CB-CE2 4.14Å |
| 401 | V | 94.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.9 | -179.3 | -164.2 | 0 | 0 | 0 | 0 | 112 | I353 L355 A389 L392 K393 M399 | I353-V401 VanDerWaalsContact O-CA 3.27Å; I353-V401 WeakPolarHBondContact O-CA 3.17Å; I353-V401 WeakPolarHBondContact O-CG1 3.31Å; L355-V401 HydrophobicContact CD1-CG1 4.09Å; A389-V401 HydrophobicContact CB-CB 4.34Å; A389-V401 HydrophobicContact CB-CG1 3.67Å; L392-V401 HydrophobicContact CB-CG2 3.84Å; L392-V401 HydrophobicContact CD1-CG1 4.01Å; L392-V401 HydrophobicContact CD1-CG2 4.33Å; K393-V401 WeakPolarHBondContact CE-O 3.42Å; K393-V401 HydrophobicContact CG-CB 4.35Å; K393-V401 HydrophobicContact CG-CG2 4.27Å; K393-V401 PolarHBondContact NZ-O 2.76Å; M399-V401 HydrophobicContact CB-CG2 3.94Å; M399-V401 HydrophobicContact CG-CG2 3.49Å; M399-V401 VanDerWaalsContact CG-CG2 3.49Å; M399-V401 PolarHBondContact O-N 3.28Å; M399-V401 HydrophobicContact SD-CG2 3.5Å; M399-V401 WeakPolarHBondContact SD-CG2 3.23Å |
| 402 | Y | 95.3 | Very high | 88.2 | Confident | 98 Ų | 98 | 48.4 Ų | 48.4 | 38% | 0.384 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.6 | 175 | -53.6 | -88 | 0 | 0 | 0 | 109.9 | K352 I353 T354 L355 E400 | K352-Y402 HydrophobicContact CG-CE2 4.25Å; I353-Y402 PolarHBondContact O-N 2.8Å; T354-Y402 WeakPolarHBondContact CA-O 3.26Å; L355-Y402 PolarHBondContact N-O 3.48Å; E400-Y402 HydrophobicContact CB-CE2 4.14Å |
| 403 | S | 94.1 | Very high | 87.5 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 138.6 | -178.6 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | L355 H385 | L355-S403 CarbonylContact O-C 3.53Å; L355-S403 WeakPolarHBondContact O-CA 3.46Å; H385-S403 WeakPolarHBondContact ND1-CB 3.23Å; H385-S403 PolarHBondContact ND1-OG 2.9Å; H385-S403 VanDerWaalsContact O-CB 3.3Å; H385-S403 WeakPolarHBondContact O-CB 3.16Å |
| 404 | Y | 93.9 | Very high | 87.2 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 29% | 0.286 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 137.7 | 179.2 | -59 | -90.9 | 0 | 0 | 0 | 112.3 | T354 L355 I356 D357 F406 L433 | T354-Y404 HydrophobicContact CG2-CD2 3.66Å; T354-Y404 HydrophobicContact CG2-CE2 3.59Å; L355-Y404 PolarHBondContact O-N 3.34Å; I356-Y404 WeakPolarHBondContact CA-O 3.27Å; D357-Y404 PolarHBondContact N-O 2.92Å; Y404-F406 VanDerWaalsContact CB-CD2 3.46Å; Y404-F406 AromaticContact CD1-CE2 3.78Å; Y404-F406 HydrophobicContact CD1-CE2 3.78Å; Y404-F406 HydrophobicContact CD1-CZ 4.12Å; Y404-F406 HydrophobicContact CG-CD2 4.32Å; Y404-F406 AromaticContact CG-CE2 3.62Å; Y404-F406 HydrophobicContact CG-CE2 3.62Å; Y404-F406 HydrophobicContact CG-CZ 4.4Å; Y404-F406 PolarHBondContact O-N 2.98Å; Y404-L433 HydrophobicContact CD2-CD1 4.07Å; Y404-L433 HydrophobicContact CD2-CD2 4.36Å; Y404-L433 HydrophobicContact CE2-CD1 4.29Å; Y404-L433 HydrophobicContact CE2-CD2 3.78Å; Y404-L433 HydrophobicContact CG-CD1 4.4Å |
| 405 | G | 90.2 | Very high | 86.9 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | trans | -90.6 | 90.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D357 H385 | D357-G405 WeakPolarHBondContact O-CA 3.46Å; H385-G405 WeakPolarHBondContact NE2-CA 3.47Å | ||
| 406 | F | 82.3 | Confident | 86.7 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | trans | -122.3 | 139.2 | 177.8 | -65.9 | -65.8 | 0 | 0 | 0 | 112.2 | I356 Y404 K429 L430 L433 | I356-F406 HydrophobicContact CG1-CD2 4.47Å; I356-F406 HydrophobicContact CG2-CB 3.89Å; I356-F406 HydrophobicContact CG2-CD2 4.17Å; Y404-F406 VanDerWaalsContact CB-CD2 3.46Å; Y404-F406 AromaticContact CD1-CE2 3.78Å; Y404-F406 HydrophobicContact CD1-CE2 3.78Å; Y404-F406 HydrophobicContact CD1-CZ 4.12Å; Y404-F406 HydrophobicContact CG-CD2 4.32Å; Y404-F406 AromaticContact CG-CE2 3.62Å; Y404-F406 HydrophobicContact CG-CE2 3.62Å; Y404-F406 HydrophobicContact CG-CZ 4.4Å; Y404-F406 PolarHBondContact O-N 2.98Å; F406-K429 HydrophobicContact CE1-CD 3.95Å; F406-K429 HydrophobicContact CE1-CG 4.32Å; F406-K429 HydrophobicContact CE2-CG 4.33Å; F406-K429 HydrophobicContact CZ-CB 4.35Å; F406-K429 HydrophobicContact CZ-CD 3.48Å; F406-K429 VanDerWaalsContact CZ-CD 3.48Å; F406-K429 HydrophobicContact CZ-CG 3.68Å; F406-L430 HydrophobicContact CB-CD2 4.34Å; F406-L430 HydrophobicContact CD2-CD2 4.13Å; F406-L430 HydrophobicContact CG-CD2 4.33Å; F406-L433 HydrophobicContact CD2-CD1 4.45Å; F406-L433 HydrophobicContact CE2-CD1 3.87Å | ||
| 407 | T | 83.1 | Confident | 86.4 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 118.1 | 160.2 | -56.2 | 0 | 0 | 0 | 0 | 108 | N358 P409 | N358-T407 PolarHBondContact ND2-OG1 3.28Å; T407-P409 WeakPolarHBondContact O-CD 3.4Å |
| 408 | V | 88.2 | Confident | 86.6 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 125.3 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | F332 M410 L430 M444 L452 P453 | F332-V408 HydrophobicContact CD1-CG2 3.9Å; F332-V408 HydrophobicContact CE1-CG2 4.02Å; V408-M410 WeakPolarHBondContact O-CG 3.34Å; V408-L430 HydrophobicContact CG1-CD1 4.38Å; V408-L430 HydrophobicContact CG2-CD1 4.3Å; V408-M444 HydrophobicContact CB-CE 4.01Å; V408-M444 HydrophobicContact CB-SD 4.3Å; V408-M444 HydrophobicContact CG2-CE 3.97Å; V408-M444 HydrophobicContact CG2-SD 3.91Å; V408-L452 HydrophobicContact CG1-CB 4.28Å; V408-L452 HydrophobicContact CG1-CD2 4.3Å; V408-P453 HydrophobicContact CG1-CG 4.05Å |
| 409 | P | 89.2 | Confident | 86.7 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 136.8 | 173.9 | -26.1 | 35.3 | 0 | 0 | 0 | 112.2 | T407 T423 V427 L452 V624 | T407-P409 WeakPolarHBondContact O-CD 3.4Å; P409-T423 HydrophobicContact CB-CG2 4.17Å; P409-T423 HydrophobicContact CG-CG2 3.65Å; P409-V427 HydrophobicContact CG-CG2 3.96Å; P409-L452 HydrophobicContact CB-CD2 4.45Å; P409-L452 HydrophobicContact CG-CD2 4.25Å; P409-V624 HydrophobicContact CB-CG1 3.88Å; P409-V624 HydrophobicContact CG-CG1 4.46Å |
| 410 | M | 87.6 | Confident | 86.6 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | trans | -127.9 | 132.2 | -170.2 | -69.5 | -169.6 | -66.6 | 0 | 0 | 111.7 | V408 G412 H413 T446 E448 G449 C628 | V408-M410 WeakPolarHBondContact O-CG 3.34Å; M410-G412 PolarHBondContact O-N 2.83Å; M410-H413 HydrophobicContact CB-CB 4.41Å; M410-H413 PolarHBondContact O-N 3.28Å; M410-H413 VanDerWaalsContact O-N 3.14Å; M410-T446 HydrophobicContact SD-CG2 4.47Å; M410-T446 PolarHBondContact SD-OG1 2.85Å; M410-E448 HydrophobicContact CB-CB 3.79Å; M410-E448 HydrophobicContact CG-CB 4.13Å; M410-E448 HydrophobicContact SD-CB 4.16Å; M410-G449 VanDerWaalsContact SD-CA 3.59Å; M410-G449 PolarHBondContact SD-N 3.45Å; M410-G449 VanDerWaalsContact SD-N 3.42Å; M410-C628 PolarHBondContact O-SG 2.94Å | ||
| 411 | P | 85 | Confident | 86.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 132.4 | 170.4 | -27.5 | 34.2 | 0 | 0 | 0 | 112.6 | H413 W451 P520 V627 P631 | P411-H413 VanDerWaalsContact C-N 3.33Å; P411-H413 PolarHBondContact O-N 3.26Å; P411-W451 HydrophobicContact CG-CB 3.93Å; P411-W451 HydrophobicContact CG-CD2 3.64Å; P411-W451 HydrophobicContact CG-CE3 3.69Å; P411-W451 HydrophobicContact CG-CG 3.74Å; P411-W451 HydrophobicContact CG-CZ3 4.45Å; P411-P520 HydrophobicContact CB-CB 4.29Å; P411-P520 HydrophobicContact CB-CG 3.82Å; P411-P520 HydrophobicContact CG-CG 3.87Å; P411-V627 HydrophobicContact CB-CG1 4.07Å; P411-V627 HydrophobicContact CG-CG1 3.91Å; P411-P631 HydrophobicContact CB-CB 4.12Å |
| 412 | G | 76.9 | Confident | 85.9 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | M410 C628 | M410-G412 PolarHBondContact O-N 2.83Å; G412-C628 CarbonylContact C-O 3.47Å; G412-C628 VanDerWaalsContact CA-O 3.24Å; G412-C628 WeakPolarHBondContact CA-O 3.48Å; G412-C628 PolarHBondContact N-O 3.07Å |
| 413 | H | 78.5 | Confident | 85.5 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -99.2 | 119.8 | 168.4 | -73.8 | 62.8 | 0 | 0 | 0 | 109.3 | M410 P411 I415 C628 | M410-H413 HydrophobicContact CB-CB 4.41Å; M410-H413 PolarHBondContact O-N 3.28Å; M410-H413 VanDerWaalsContact O-N 3.14Å; P411-H413 VanDerWaalsContact C-N 3.33Å; P411-H413 PolarHBondContact O-N 3.26Å; H413-I415 PolarHBondContact O-N 3.18Å; H413-C628 PolarHBondContact N-O 3.45Å |
| 414 | L | 83.4 | Confident | 85.2 | Confident | 136 Ų | 136 | 61.7 Ų | 61.7 | 71% | 0.712 | 34% | 0.342 | S | S | * | . | trans | -61.6 | 124 | -179.1 | -173.1 | 73.1 | 0 | 0 | 0 | 110.1 | ||||
| 415 | I | 84.6 | Confident | 85 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | trans | -98.7 | 114 | 166.3 | -62.1 | 169.8 | 0 | 0 | 0 | 105.9 | H413 D419 E420 T423 I625 C628 N629 | H413-I415 PolarHBondContact O-N 3.18Å; I415-D419 HydrophobicContact CG2-CB 4.26Å; I415-E420 HydrophobicContact CG2-CG 4.2Å; I415-T423 HydrophobicContact CD1-CG2 3.62Å; I415-I625 HydrophobicContact CD1-CG1 4.24Å; I415-C628 HydrophobicContact CD1-CB 3.52Å; I415-C628 HydrophobicContact CG1-CB 4.04Å; I415-N629 PolarHBondContact N-OD1 3.28Å; I415-N629 PolarHBondContact O-ND2 2.92Å; I415-N629 PolarHBondContact O-OD1 3.4Å | ||
| 416 | E | 84 | Confident | 84.9 | Confident | 118 Ų | 118 | 63.6 Ų | 63.6 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | trans | -68.7 | 150.8 | 176.1 | -62.2 | -172.3 | 174.6 | 0 | 0 | 110.5 | C418 D419 E420 | E416-C418 PolarHBondContact O-N 2.69Å; E416-D419 PolarHBondContact O-N 3.12Å; E416-E420 PolarHBondContact O-N 3.13Å | ||
| 417 | E | 80.8 | Confident | 85.3 | Confident | 175 Ų | 175 | 62.7 Ų | 62.7 | 82% | 0.818 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -52.8 | -32.1 | -179.9 | -70.6 | -178.7 | 174.4 | 0 | 0 | 112.7 | D419 | E417-D419 VanDerWaalsContact C-N 3.28Å; E417-D419 PolarHBondContact O-N 3.43Å |
| 418 | C | 85.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 65 Ų | 65 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -70.8 | -20.8 | 179 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | E416 | E416-C418 PolarHBondContact O-N 2.69Š|
| 419 | D | 84.2 | Confident | 85.9 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -101.6 | -4.9 | -177.9 | -77.1 | -41.1 | 0 | 0 | 0 | 113.1 | I415 E416 E417 A421 K422 T423 | I415-D419 HydrophobicContact CG2-CB 4.26Å; E416-D419 PolarHBondContact O-N 3.12Å; E417-D419 VanDerWaalsContact C-N 3.28Å; E417-D419 PolarHBondContact O-N 3.43Å; D419-A421 PolarHBondContact O-N 2.8Å; D419-K422 PolarHBondContact O-N 3.06Å; D419-T423 WeakPolarHBondContact O-CB 3.46Å; D419-T423 PolarHBondContact O-N 3.16Å; D419-T423 PolarHBondContact O-OG1 3.24Å |
| 420 | E | 85.4 | Confident | 86 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | -176.3 | -73.1 | -172.1 | 173.8 | 0 | 0 | 112.7 | I415 E416 K422 T423 V424 I625 | I415-E420 HydrophobicContact CG2-CG 4.2Å; E416-E420 PolarHBondContact O-N 3.13Å; E420-K422 VanDerWaalsContact C-N 3.32Å; E420-K422 PolarHBondContact O-N 3.4Å; E420-T423 WeakPolarHBondContact O-CB 3.31Å; E420-T423 PolarHBondContact O-N 2.98Å; E420-T423 VanDerWaalsContact O-N 3.13Å; E420-V424 WeakPolarHBondContact O-CG2 3.48Å; E420-V424 PolarHBondContact O-N 3.18Å; E420-I625 HydrophobicContact CB-CD1 3.95Å; E420-I625 HydrophobicContact CG-CD1 4.08Å; E420-I625 HydrophobicContact CG-CG2 4.24Å |
| 421 | A | 85.3 | Confident | 86.3 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D419 V424 E425 | D419-A421 PolarHBondContact O-N 2.8Å; A421-V424 PolarHBondContact O-N 3.06Å; A421-E425 PolarHBondContact O-N 3.22Å; A421-E425 VanDerWaalsContact O-N 3.15Å |
| 422 | K | 87.4 | Confident | 86.8 | Confident | 124 Ų | 124 | 72 Ų | 72 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 176 | -178.5 | -176.1 | 172.2 | -169.6 | 0 | 111.4 | D419 E420 V424 E425 D426 | D419-K422 PolarHBondContact O-N 3.06Å; E420-K422 VanDerWaalsContact C-N 3.32Å; E420-K422 PolarHBondContact O-N 3.4Å; K422-V424 VanDerWaalsContact C-N 3.33Å; K422-V424 PolarHBondContact O-N 3.41Å; K422-E425 PolarHBondContact O-N 3.01Å; K422-D426 WeakPolarHBondContact O-CB 3.44Å; K422-D426 PolarHBondContact O-N 2.92Å |
| 423 | T | 86.2 | Confident | 87.7 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111 | P409 I415 D419 E420 D426 V427 I625 | P409-T423 HydrophobicContact CB-CG2 4.17Å; P409-T423 HydrophobicContact CG-CG2 3.65Å; I415-T423 HydrophobicContact CD1-CG2 3.62Å; D419-T423 WeakPolarHBondContact O-CB 3.46Å; D419-T423 PolarHBondContact O-N 3.16Å; D419-T423 PolarHBondContact O-OG1 3.24Å; E420-T423 WeakPolarHBondContact O-CB 3.31Å; E420-T423 PolarHBondContact O-N 2.98Å; E420-T423 VanDerWaalsContact O-N 3.13Å; T423-D426 PolarHBondContact O-N 3.24Å; T423-V427 HydrophobicContact CG2-CG2 4.48Å; T423-V427 WeakPolarHBondContact O-CB 3.31Å; T423-V427 WeakPolarHBondContact O-CG2 3.41Å; T423-V427 PolarHBondContact O-N 3.06Å; T423-I625 HydrophobicContact CG2-CG1 4.35Å |
| 424 | V | 88.6 | Confident | 88.5 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 173.8 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | E420 A421 K422 D426 V427 E428 I625 | E420-V424 WeakPolarHBondContact O-CG2 3.48Å; E420-V424 PolarHBondContact O-N 3.18Å; A421-V424 PolarHBondContact O-N 3.06Å; K422-V424 VanDerWaalsContact C-N 3.33Å; K422-V424 PolarHBondContact O-N 3.41Å; V424-D426 PolarHBondContact O-N 3.43Å; V424-V427 PolarHBondContact O-N 3.38Å; V424-E428 WeakPolarHBondContact O-CG 3.35Å; V424-E428 PolarHBondContact O-N 3.2Å; V424-I625 HydrophobicContact CG2-CD1 3.75Å |
| 425 | E | 88.6 | Confident | 89 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 176.3 | -172.6 | -175.4 | 173.1 | 0 | 0 | 111.9 | A421 K422 V427 E428 K429 | A421-E425 PolarHBondContact O-N 3.22Å; A421-E425 VanDerWaalsContact O-N 3.15Å; K422-E425 PolarHBondContact O-N 3.01Å; E425-V427 VanDerWaalsContact C-N 3.35Å; E425-V427 PolarHBondContact O-N 2.71Å; E425-E428 PolarHBondContact O-N 3.27Å; E425-K429 WeakPolarHBondContact O-CB 3.46Å; E425-K429 PolarHBondContact O-N 2.85Å |
| 426 | D | 88.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 72.6 Ų | 72.6 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.7 | -77.2 | -24.7 | 0 | 0 | 0 | 111.2 | K422 T423 V424 K429 L430 | K422-D426 WeakPolarHBondContact O-CB 3.44Å; K422-D426 PolarHBondContact O-N 2.92Å; T423-D426 PolarHBondContact O-N 3.24Å; V424-D426 PolarHBondContact O-N 3.43Å; D426-K429 PolarHBondContact O-N 3.11Å; D426-L430 WeakPolarHBondContact O-CB 3.3Å; D426-L430 VanDerWaalsContact O-CG 3.23Å; D426-L430 WeakPolarHBondContact O-CG 3.36Å; D426-L430 PolarHBondContact O-N 3.01Å |
| 427 | V | 90.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | P409 T423 V424 E425 K429 L430 E431 L452 V624 | P409-V427 HydrophobicContact CG-CG2 3.96Å; T423-V427 HydrophobicContact CG2-CG2 4.48Å; T423-V427 WeakPolarHBondContact O-CB 3.31Å; T423-V427 WeakPolarHBondContact O-CG2 3.41Å; T423-V427 PolarHBondContact O-N 3.06Å; V424-V427 PolarHBondContact O-N 3.38Å; E425-V427 VanDerWaalsContact C-N 3.35Å; E425-V427 PolarHBondContact O-N 2.71Å; V427-K429 VanDerWaalsContact C-N 3.29Å; V427-K429 PolarHBondContact O-N 2.93Å; V427-L430 PolarHBondContact O-N 3.38Å; V427-E431 WeakPolarHBondContact O-CB 3.42Å; V427-E431 PolarHBondContact O-N 3.49Å; V427-L452 HydrophobicContact CG2-CD2 4.08Å; V427-V624 HydrophobicContact CG1-CG2 4.3Å; V427-V624 HydrophobicContact CG2-CB 4.33Å; V427-V624 HydrophobicContact CG2-CG1 3.94Å; V427-V624 HydrophobicContact CG2-CG2 4.46Å |
| 428 | E | 91.9 | Very high | 90.7 | Very high | 127 Ų | 127 | 62.2 Ų | 62.2 | 59% | 0.593 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 177.9 | -73.2 | 179.8 | 171.8 | 0 | 0 | 111.7 | V424 E425 E431 S432 | V424-E428 WeakPolarHBondContact O-CG 3.35Å; V424-E428 PolarHBondContact O-N 3.2Å; E425-E428 PolarHBondContact O-N 3.27Å; E428-E431 PolarHBondContact O-N 3.28Å; E428-S432 PolarHBondContact O-N 3.36Å |
| 429 | K | 91.1 | Very high | 91.2 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 178.4 | -164 | 153.7 | -178.1 | -176.1 | 0 | 112.5 | F406 E425 D426 V427 E431 S432 L433 | F406-K429 HydrophobicContact CE1-CD 3.95Å; F406-K429 HydrophobicContact CE1-CG 4.32Å; F406-K429 HydrophobicContact CE2-CG 4.33Å; F406-K429 HydrophobicContact CZ-CB 4.35Å; F406-K429 HydrophobicContact CZ-CD 3.48Å; F406-K429 VanDerWaalsContact CZ-CD 3.48Å; F406-K429 HydrophobicContact CZ-CG 3.68Å; E425-K429 WeakPolarHBondContact O-CB 3.46Å; E425-K429 PolarHBondContact O-N 2.85Å; D426-K429 PolarHBondContact O-N 3.11Å; V427-K429 VanDerWaalsContact C-N 3.29Å; V427-K429 PolarHBondContact O-N 2.93Å; K429-E431 VanDerWaalsContact C-N 3.28Å; K429-E431 PolarHBondContact O-N 2.7Å; K429-S432 PolarHBondContact O-N 2.91Å; K429-L433 WeakPolarHBondContact O-CG 3.36Å; K429-L433 PolarHBondContact O-N 3.2Å |
| 430 | L | 92.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 172.5 | -73.1 | 178 | 0 | 0 | 0 | 111.6 | F332 I356 F406 V408 D426 V427 L433 I434 L452 L456 | F332-L430 HydrophobicContact CE1-CD2 3.85Å; F332-L430 HydrophobicContact CZ-CD2 4.3Å; I356-L430 HydrophobicContact CD1-CD2 3.75Å; F406-L430 HydrophobicContact CB-CD2 4.34Å; F406-L430 HydrophobicContact CD2-CD2 4.13Å; F406-L430 HydrophobicContact CG-CD2 4.33Å; V408-L430 HydrophobicContact CG1-CD1 4.38Å; V408-L430 HydrophobicContact CG2-CD1 4.3Å; D426-L430 WeakPolarHBondContact O-CB 3.3Å; D426-L430 VanDerWaalsContact O-CG 3.23Å; D426-L430 WeakPolarHBondContact O-CG 3.36Å; D426-L430 PolarHBondContact O-N 3.01Å; V427-L430 PolarHBondContact O-N 3.38Å; L430-L433 PolarHBondContact O-N 2.56Å; L430-I434 WeakPolarHBondContact O-CG1 3.38Å; L430-I434 PolarHBondContact O-N 2.84Å; L430-L452 HydrophobicContact CD1-CD2 4.15Å; L430-L456 HydrophobicContact CB-CD1 4.48Å |
| 431 | E | 94.5 | Very high | 92.5 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.7 | -176.7 | 169.9 | 178.5 | 0 | 0 | 112 | V427 E428 K429 L433 I434 K435 L456 H460 Y616 | V427-E431 WeakPolarHBondContact O-CB 3.42Å; V427-E431 PolarHBondContact O-N 3.49Å; E428-E431 PolarHBondContact O-N 3.28Å; K429-E431 VanDerWaalsContact C-N 3.28Å; K429-E431 PolarHBondContact O-N 2.7Å; E431-L433 PolarHBondContact O-N 3.2Å; E431-I434 PolarHBondContact O-N 3.11Å; E431-K435 WeakPolarHBondContact O-CB 3.34Å; E431-K435 PolarHBondContact O-N 2.86Å; E431-L456 HydrophobicContact CB-CD1 4.34Å; E431-L456 HydrophobicContact CB-CD2 4.18Å; E431-L456 HydrophobicContact CG-CD2 4.11Å; E431-H460 WeakPolarHBondContact CG-NE2 3.31Å; E431-H460 IonicContact OE1-CD2 3.55Å; E431-H460 IonicContact OE1-CE1 2.72Å; E431-H460 PolarHBondContact OE1-CE1 3.47Å; E431-H460 VanDerWaalsContact OE1-CE1 3.29Å; E431-H460 IonicContact OE1-NE2 3.36Å; E431-H460 PolarHBondContact OE1-NE2 3.08Å; E431-Y616 PolarHBondContact OE2-OH 3.1Å |
| 432 | S | 95 | Very high | 93 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 175.1 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | E428 K429 I434 K435 E436 | E428-S432 PolarHBondContact O-N 3.36Å; K429-S432 PolarHBondContact O-N 2.91Å; S432-I434 PolarHBondContact O-N 3.19Å; S432-K435 WeakPolarHBondContact O-CB 3.44Å; S432-K435 PolarHBondContact O-N 2.98Å; S432-K435 VanDerWaalsContact O-N 3.14Å; S432-E436 WeakPolarHBondContact O-CG 3.02Å; S432-E436 PolarHBondContact O-N 3.33Å; S432-E436 PolarHBondContact OG-OE1 3.3Å |
| 433 | L | 95 | Very high | 93.3 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 179.3 | -71.2 | 173.2 | 0 | 0 | 0 | 111.7 | L330 T354 I356 Y404 F406 K429 L430 E431 K435 E436 H437 | L330-L433 HydrophobicContact CD2-CB 3.96Å; T354-L433 HydrophobicContact CG2-CD2 4.49Å; I356-L433 HydrophobicContact CD1-CD1 3.86Å; I356-L433 HydrophobicContact CG1-CD1 4.49Å; Y404-L433 HydrophobicContact CD2-CD1 4.07Å; Y404-L433 HydrophobicContact CD2-CD2 4.36Å; Y404-L433 HydrophobicContact CE2-CD1 4.29Å; Y404-L433 HydrophobicContact CE2-CD2 3.78Å; Y404-L433 HydrophobicContact CG-CD1 4.4Å; F406-L433 HydrophobicContact CD2-CD1 4.45Å; F406-L433 HydrophobicContact CE2-CD1 3.87Å; K429-L433 WeakPolarHBondContact O-CG 3.36Å; K429-L433 PolarHBondContact O-N 3.2Å; L430-L433 PolarHBondContact O-N 2.56Å; E431-L433 PolarHBondContact O-N 3.2Å; L433-K435 VanDerWaalsContact C-N 3.3Å; L433-K435 PolarHBondContact O-N 2.79Å; L433-E436 PolarHBondContact O-N 2.91Å; L433-H437 PolarHBondContact O-N 2.88Å; L433-H437 PolarHBondContact O-ND1 2.92Å |
| 434 | I | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.9 | -72.9 | 172.4 | 0 | 0 | 0 | 110.8 | L330 F332 L430 E431 S432 E436 H437 I440 L456 K462 | L330-I434 HydrophobicContact CD2-CG1 3.88Å; F332-I434 HydrophobicContact CE2-CD1 4.15Å; F332-I434 HydrophobicContact CE2-CG1 4.08Å; F332-I434 HydrophobicContact CZ-CD1 3.94Å; F332-I434 HydrophobicContact CZ-CG1 4.08Å; L430-I434 WeakPolarHBondContact O-CG1 3.38Å; L430-I434 PolarHBondContact O-N 2.84Å; E431-I434 PolarHBondContact O-N 3.11Å; S432-I434 PolarHBondContact O-N 3.19Å; I434-E436 VanDerWaalsContact C-N 3.33Å; I434-E436 PolarHBondContact O-N 3.31Å; I434-H437 PolarHBondContact O-N 3.3Å; I434-I440 HydrophobicContact CB-CD1 4.49Å; I434-I440 HydrophobicContact CG1-CD1 4.37Å; I434-I440 HydrophobicContact CG2-CD1 4.34Å; I434-I440 HydrophobicContact CG2-CG1 4.4Å; I434-L456 HydrophobicContact CD1-CB 3.45Å; I434-L456 VanDerWaalsContact CD1-CB 3.45Å; I434-L456 HydrophobicContact CD1-CD1 3.78Å; I434-L456 HydrophobicContact CD1-CG 4.27Å; I434-L456 HydrophobicContact CG2-CB 4.44Å; I434-K462 HydrophobicContact CG2-CB 4.47Å; I434-K462 HydrophobicContact CG2-CG 4.03Å; I434-K462 VanDerWaalsContact O-CE 3.3Å; I434-K462 WeakPolarHBondContact O-CE 3.38Å |
| 435 | K | 94.6 | Very high | 92.9 | Very high | 137 Ų | 137 | 44.8 Ų | 44.8 | 60% | 0.596 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.5 | -36 | 178.2 | -173.3 | -179.6 | 176.8 | -175 | 0 | 112.8 | E431 S432 L433 K462 | E431-K435 WeakPolarHBondContact O-CB 3.34Å; E431-K435 PolarHBondContact O-N 2.86Å; S432-K435 WeakPolarHBondContact O-CB 3.44Å; S432-K435 PolarHBondContact O-N 2.98Å; S432-K435 VanDerWaalsContact O-N 3.14Å; L433-K435 VanDerWaalsContact C-N 3.3Å; L433-K435 PolarHBondContact O-N 2.79Å; K435-K462 WeakPolarHBondContact O-CE 3.43Å; K435-K462 PolarHBondContact O-NZ 3.31Å |
| 436 | E | 94.8 | Very high | 92.4 | Very high | 101 Ų | 101 | 39.8 Ų | 39.8 | 47% | 0.472 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -76.6 | -20.5 | -178.5 | -75 | 171 | -151.3 | 0 | 0 | 114.7 | S432 L433 I434 | S432-E436 WeakPolarHBondContact O-CG 3.02Å; S432-E436 PolarHBondContact O-N 3.33Å; S432-E436 PolarHBondContact OG-OE1 3.3Å; L433-E436 PolarHBondContact O-N 2.91Å; I434-E436 VanDerWaalsContact C-N 3.33Å; I434-E436 PolarHBondContact O-N 3.31Å |
| 437 | H | 96.3 | Very high | 92 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | trans | -104.8 | 150.3 | -175.8 | -65.8 | 77.8 | 0 | 0 | 0 | 112.1 | S328 L330 T354 L433 I434 I440 K462 | S328-H437 WeakPolarHBondContact OG-CA 3.41Å; L330-H437 HydrophobicContact CB-CB 3.86Å; T354-H437 VanDerWaalsContact CB-NE2 3.32Å; T354-H437 WeakPolarHBondContact CB-NE2 3.46Å; T354-H437 PolarHBondContact OG1-CE1 3.31Å; T354-H437 PolarHBondContact OG1-NE2 3.01Å; L433-H437 PolarHBondContact O-N 2.88Å; L433-H437 PolarHBondContact O-ND1 2.92Å; I434-H437 PolarHBondContact O-N 3.3Å; H437-I440 HydrophobicContact CB-CD1 3.9Å; H437-K462 VanDerWaalsContact O-CD 3.28Å; H437-K462 WeakPolarHBondContact O-CD 3.37Å; H437-K462 VanDerWaalsContact O-CE 3.22Å; H437-K462 WeakPolarHBondContact O-CE 3.27Å; H437-K462 PolarHBondContact O-NZ 3.48Å | ||
| 438 | D | 94.2 | Very high | 91.6 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -84.5 | -39.3 | -178.2 | -57 | -59 | 0 | 0 | 0 | 112 | V327 S328 | V327-D438 HydrophobicContact CG1-CB 4.23Å; S328-D438 PolarHBondContact N-OD2 2.92Å; S328-D438 PolarHBondContact O-N 3.48Å; S328-D438 VanDerWaalsContact O-N 3.1Å; S328-D438 PolarHBondContact OG-N 3.32Å; S328-D438 PolarHBondContact OG-OD2 2.77Å |
| 439 | I | 96.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.4 | -174.9 | -55.9 | -172.5 | 0 | 0 | 0 | 110.4 | V327 S328 C329 L330 F441 L463 F465 M552 L556 | V327-I439 HydrophobicContact CG1-CB 4.46Å; V327-I439 HydrophobicContact CG1-CD1 3.59Å; V327-I439 HydrophobicContact CG1-CG1 3.79Å; S328-I439 PolarHBondContact O-N 3.08Å; S328-I439 VanDerWaalsContact O-N 3.11Å; C329-I439 CarbonylContact C-O 3.59Å; C329-I439 WeakPolarHBondContact CA-O 3.32Å; L330-I439 PolarHBondContact N-O 3.48Å; I439-F441 HydrophobicContact CG2-CD2 4.17Å; I439-F441 HydrophobicContact CG2-CE2 3.71Å; I439-F441 HydrophobicContact CG2-CZ 4.25Å; I439-L463 WeakPolarHBondContact CA-O 3.37Å; I439-L463 HydrophobicContact CD1-CD2 4.33Å; I439-L463 HydrophobicContact CG1-CD2 4.41Å; I439-F465 HydrophobicContact CG2-CD2 3.76Å; I439-F465 HydrophobicContact CG2-CE2 3.82Å; I439-M552 HydrophobicContact CD1-CG 3.36Å; I439-M552 HydrophobicContact CD1-SD 3.78Å; I439-M552 HydrophobicContact CG2-CG 4.2Å; I439-M552 HydrophobicContact CG2-SD 4.45Å; I439-L556 HydrophobicContact CD1-CD1 4.08Å; I439-L556 HydrophobicContact CD1-CD2 4.23Å; I439-L556 HydrophobicContact CD1-CG 4.29Å |
| 440 | I | 97.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.1 | -176.8 | -43.4 | -59.2 | 0 | 0 | 0 | 109.6 | L330 F332 I434 H437 L442 K462 L463 A464 F465 | L330-I440 HydrophobicContact CB-CD1 3.77Å; L330-I440 HydrophobicContact CD2-CD1 4.07Å; L330-I440 HydrophobicContact CG-CD1 4.5Å; L330-I440 CarbonylContact O-C 3.5Å; L330-I440 WeakPolarHBondContact O-CA 3.11Å; F332-I440 HydrophobicContact CD2-CG2 3.78Å; F332-I440 HydrophobicContact CE2-CG2 3.63Å; I434-I440 HydrophobicContact CB-CD1 4.49Å; I434-I440 HydrophobicContact CG1-CD1 4.37Å; I434-I440 HydrophobicContact CG2-CD1 4.34Å; I434-I440 HydrophobicContact CG2-CG1 4.4Å; H437-I440 HydrophobicContact CB-CD1 3.9Å; I440-L442 HydrophobicContact CG2-CD2 3.82Å; I440-K462 HydrophobicContact CG1-CB 4.07Å; I440-L463 PolarHBondContact N-O 3.18Å; I440-A464 HydrophobicContact CB-CB 4.27Å; I440-A464 CarbonylContact O-C 3.52Å; I440-A464 VanDerWaalsContact O-CA 3.25Å; I440-A464 WeakPolarHBondContact O-CA 3.33Å; I440-F465 PolarHBondContact O-N 3.3Å |
| 441 | F | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.9 | 174.5 | -76.7 | -84.4 | 0 | 0 | 0 | 110.5 | L330 L331 F332 I341 L345 I439 L443 F465 V467 A548 M552 | L330-F441 PolarHBondContact O-N 3.06Å; L331-F441 HydrophobicContact CD1-CD2 4.18Å; L331-F441 HydrophobicContact CG-CB 4.18Å; L331-F441 HydrophobicContact CG-CD2 4.5Å; F332-F441 PolarHBondContact N-O 2.82Å; I341-F441 HydrophobicContact CD1-CD1 4.17Å; I341-F441 HydrophobicContact CG2-CD1 4.22Å; I341-F441 HydrophobicContact CG2-CD2 4.33Å; I341-F441 HydrophobicContact CG2-CE1 4.29Å; I341-F441 HydrophobicContact CG2-CE2 4.39Å; I341-F441 HydrophobicContact CG2-CG 4.24Å; I341-F441 HydrophobicContact CG2-CZ 4.37Å; L345-F441 HydrophobicContact CD1-CE2 4.25Å; L345-F441 HydrophobicContact CD2-CE2 4.03Å; L345-F441 HydrophobicContact CD2-CZ 4.32Å; I439-F441 HydrophobicContact CG2-CD2 4.17Å; I439-F441 HydrophobicContact CG2-CE2 3.71Å; I439-F441 HydrophobicContact CG2-CZ 4.25Å; F441-L443 HydrophobicContact CB-CD1 4.03Å; F441-L443 HydrophobicContact CB-CD2 4.03Å; F441-L443 HydrophobicContact CB-CG 3.93Å; F441-L443 HydrophobicContact CD1-CD2 4.47Å; F441-F465 HydrophobicContact CD1-CB 3.72Å; F441-F465 HydrophobicContact CD1-CG 4.43Å; F441-F465 HydrophobicContact CE1-CB 3.79Å; F441-F465 HydrophobicContact CE1-CD2 4.12Å; F441-F465 HydrophobicContact CE1-CG 4.03Å; F441-F465 HydrophobicContact CZ-CD2 4.23Å; F441-V467 HydrophobicContact CD1-CG2 4.33Å; F441-A548 HydrophobicContact CE1-CB 4.28Å; F441-M552 HydrophobicContact CE2-SD 4.05Å; F441-M552 HydrophobicContact CZ-CB 4.21Å; F441-M552 HydrophobicContact CZ-CG 4.26Å; F441-M552 HydrophobicContact CZ-SD 3.94Å |
| 442 | L | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 98.3 | 179.3 | -49.7 | -172.5 | 0 | 0 | 0 | 109.2 | F332 I440 P453 T454 F465 V467 | F332-L442 HydrophobicContact CB-CD2 4.42Å; F332-L442 HydrophobicContact CD2-CD2 3.8Å; F332-L442 HydrophobicContact CE2-CD2 4.42Å; F332-L442 HydrophobicContact CG-CD2 4.3Å; I440-L442 HydrophobicContact CG2-CD2 3.82Å; L442-P453 HydrophobicContact CD1-CB 4.24Å; L442-P453 HydrophobicContact CD2-CB 3.34Å; L442-P453 HydrophobicContact CD2-CG 4.33Å; L442-P453 HydrophobicContact CG-CB 4.42Å; L442-T454 WeakPolarHBondContact CD1-OG1 3.26Å; L442-F465 PolarHBondContact N-O 3.37Å; L442-V467 PolarHBondContact O-N 2.77Å |
| 443 | L | 93.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | trans | -120 | 13.1 | -166.9 | -46.3 | 177.6 | 0 | 0 | 0 | 113.1 | L331 F332 L337 I341 F441 V467 | L331-L443 HydrophobicContact CB-CD1 4.35Å; L331-L443 HydrophobicContact CD2-CD1 4.32Å; L331-L443 HydrophobicContact CG-CD1 4.2Å; F332-L443 CarbonylContact O-C 3.58Å; F332-L443 VanDerWaalsContact O-C 3.32Å; F332-L443 VanDerWaalsContact O-CA 3.25Å; F332-L443 WeakPolarHBondContact O-CA 3.38Å; F332-L443 VanDerWaalsContact O-CB 3.24Å; F332-L443 WeakPolarHBondContact O-CB 3.4Å; F332-L443 PolarHBondContact O-N 2.58Å; L337-L443 HydrophobicContact CB-CB 4.29Å; L337-L443 HydrophobicContact CB-CD2 4.44Å; I341-L443 HydrophobicContact CB-CD1 4.36Å; I341-L443 HydrophobicContact CD1-CD1 3.76Å; I341-L443 HydrophobicContact CD1-CD2 3.35Å; I341-L443 HydrophobicContact CD1-CG 4.21Å; F441-L443 HydrophobicContact CB-CD1 4.03Å; F441-L443 HydrophobicContact CB-CD2 4.03Å; F441-L443 HydrophobicContact CB-CG 3.93Å; F441-L443 HydrophobicContact CD1-CD2 4.47Å; L443-V467 HydrophobicContact CD2-CB 3.65Å; L443-V467 HydrophobicContact CD2-CG2 3.9Å | ||
| 444 | M | 87.7 | Confident | 91.2 | Very high | 39 Ų | 39 | 26 Ų | 26 | 19% | 0.192 | 12% | 0.124 | C | C | . | . | trans | -73.7 | 148.4 | -179.8 | -59.2 | 178.2 | 71 | 0 | 0 | 111.4 | F332 V408 R450 | F332-M444 HydrophobicContact CB-CG 4.13Å; F332-M444 HydrophobicContact CB-SD 4.24Å; F332-M444 HydrophobicContact CD1-SD 4.47Å; F332-M444 PolarHBondContact O-N 2.81Å; V408-M444 HydrophobicContact CB-CE 4.01Å; V408-M444 HydrophobicContact CB-SD 4.3Å; V408-M444 HydrophobicContact CG2-CE 3.97Å; V408-M444 HydrophobicContact CG2-SD 3.91Å; M444-R450 PolarHBondContact O-NE 2.8Å; M444-R450 PolarHBondContact O-NH2 2.75Å | ||
| 445 | D | 78.5 | Confident | 91.2 | Very high | 96 Ų | 96 | 26 Ų | 26 | 51% | 0.513 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -75.8 | -23.4 | -176.7 | -68 | -29.2 | 0 | 0 | 0 | 113.4 | C533 | D445-C533 HydrophobicContact CB-CB 4.36Å; D445-C533 VanDerWaalsContact CG-SG 3.56Å; D445-C533 VanDerWaalsContact OD1-CB 3.29Å; D445-C533 WeakPolarHBondContact OD1-CB 3.14Å; D445-C533 PolarHBondContact OD1-SG 2.88Å |
| 446 | T | 78.2 | Confident | 91.2 | Very high | 19 Ų | 19 | 19.5 Ų | 19.5 | 12% | 0.117 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -92.3 | 144.8 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | M410 E448 G449 M524 | M410-T446 HydrophobicContact SD-CG2 4.47Å; M410-T446 PolarHBondContact SD-OG1 2.85Å; T446-E448 VanDerWaalsContact C-N 3.34Å; T446-E448 WeakPolarHBondContact CB-OE2 3.38Å; T446-G449 WeakPolarHBondContact OG1-CA 3.42Å; T446-G449 PolarHBondContact OG1-N 3.25Å; T446-M524 HydrophobicContact CG2-CG 4.3Å; T446-M524 HydrophobicContact CG2-SD 3.79Å |
| 447 | R | 79.8 | Confident | 91.2 | Very high | 50 Ų | 50 | 14.8 Ų | 14.8 | 19% | 0.189 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -68.1 | -41.2 | 175.9 | 168.7 | 166.5 | -178.3 | -123.3 | -10.3 | 109.9 | R450 Y512 F513 D516 T518 | R447-R450 PolarHBondContact O-N 3.38Å; R447-Y512 HydrophobicContact CG-CE1 4.07Å; R447-F513 HydrophobicContact CG-CE1 3.95Å; R447-F513 VanDerWaalsContact O-CZ 3.28Å; R447-F513 WeakPolarHBondContact O-CZ 3.34Å; R447-D516 IonicContact CZ-OD2 3.94Å; R447-D516 IonicContact NE-OD2 3.68Å; R447-D516 PolarHBondContact NE-OD2 3.47Å; R447-D516 IonicContact NH2-OD1 2.72Å; R447-D516 IonicContact NH2-OD2 2.6Å; R447-D516 PolarHBondContact NH2-OD2 3.49Å; R447-T518 PolarHBondContact NH2-O 3.13Å |
| 448 | E | 83.7 | Confident | 91 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -66.4 | -38.6 | -177.8 | -51.2 | 73.4 | -164.2 | 0 | 0 | 111 | M410 T446 R450 W451 P520 G521 S523 | M410-E448 HydrophobicContact CB-CB 3.79Å; M410-E448 HydrophobicContact CG-CB 4.13Å; M410-E448 HydrophobicContact SD-CB 4.16Å; T446-E448 VanDerWaalsContact C-N 3.34Å; T446-E448 WeakPolarHBondContact CB-OE2 3.38Å; E448-R450 PolarHBondContact O-N 2.81Å; E448-R450 VanDerWaalsContact O-N 3.12Å; E448-W451 WeakPolarHBondContact O-CB 3.27Å; E448-W451 PolarHBondContact O-N 3.28Å; E448-W451 VanDerWaalsContact O-N 3.08Å; E448-P520 HydrophobicContact CG-CB 4.18Å; E448-G521 VanDerWaalsContact CG-O 3.26Å; E448-G521 WeakPolarHBondContact CG-O 3.42Å; E448-S523 WeakPolarHBondContact OE1-CB 3.39Å; E448-S523 PolarHBondContact OE1-N 2.7Å; E448-S523 PolarHBondContact OE1-OG 3.27Å; E448-S523 PolarHBondContact OE2-OG 3.39Å |
| 449 | G | 87.2 | Confident | 91 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -60.8 | -20.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | M410 T446 P453 | M410-G449 VanDerWaalsContact SD-CA 3.59Å; M410-G449 PolarHBondContact SD-N 3.45Å; M410-G449 VanDerWaalsContact SD-N 3.42Å; T446-G449 WeakPolarHBondContact OG1-CA 3.42Å; T446-G449 PolarHBondContact OG1-N 3.25Å; G449-P453 WeakPolarHBondContact O-CD 3.24Å |
| 450 | R | 89.9 | Confident | 90.8 | Very high | 13 Ų | 13 | 14.8 Ų | 14.8 | 5% | 0.049 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -88 | -13.4 | 179.5 | -59.9 | 173.4 | -174.7 | -171.9 | -2.6 | 113.1 | M444 R447 E448 T454 T466 F513 | M444-R450 PolarHBondContact O-NE 2.8Å; M444-R450 PolarHBondContact O-NH2 2.75Å; R447-R450 PolarHBondContact O-N 3.38Å; E448-R450 PolarHBondContact O-N 2.81Å; E448-R450 VanDerWaalsContact O-N 3.12Å; R450-T454 VanDerWaalsContact O-CB 3.24Å; R450-T454 WeakPolarHBondContact O-CB 3.4Å; R450-T454 PolarHBondContact O-N 2.97Å; R450-T454 PolarHBondContact O-OG1 3.03Å; R450-T466 VanDerWaalsContact NH1-CG2 3.27Å; R450-F513 HydrophobicContact CB-CE2 4.27Å; R450-F513 HydrophobicContact CB-CZ 4.17Å |
| 451 | W | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -58.4 | -172 | 173.2 | 79.3 | 0 | 0 | 0 | 112.1 | P411 E448 T454 L455 F513 V606 F623 V624 V627 L634 | P411-W451 HydrophobicContact CG-CB 3.93Å; P411-W451 HydrophobicContact CG-CD2 3.64Å; P411-W451 HydrophobicContact CG-CE3 3.69Å; P411-W451 HydrophobicContact CG-CG 3.74Å; P411-W451 HydrophobicContact CG-CZ3 4.45Å; E448-W451 WeakPolarHBondContact O-CB 3.27Å; E448-W451 PolarHBondContact O-N 3.28Å; E448-W451 VanDerWaalsContact O-N 3.08Å; W451-T454 WeakPolarHBondContact O-CB 3.5Å; W451-T454 PolarHBondContact O-N 3.43Å; W451-T454 VanDerWaalsContact O-N 3.13Å; W451-L455 HydrophobicContact CH2-CD1 4.28Å; W451-L455 HydrophobicContact CZ2-CD1 3.84Å; W451-L455 PolarHBondContact O-N 3.07Å; W451-F513 HydrophobicContact CB-CE1 4.45Å; W451-F513 HydrophobicContact CB-CE2 4.22Å; W451-F513 HydrophobicContact CB-CZ 3.79Å; W451-V606 PolarHBondContact NE1-O 3.11Å; W451-F623 HydrophobicContact CH2-CE1 4.01Å; W451-F623 AromaticContact CZ2-CE1 3.93Å; W451-F623 HydrophobicContact CZ2-CE1 3.93Å; W451-F623 HydrophobicContact CZ2-CZ 4.26Å; W451-V624 HydrophobicContact CH2-CG2 4.48Å; W451-V624 HydrophobicContact CZ3-CG1 4.22Å; W451-V624 HydrophobicContact CZ3-CG2 4.45Å; W451-V627 HydrophobicContact CH2-CB 3.9Å; W451-V627 HydrophobicContact CH2-CG1 3.7Å; W451-V627 HydrophobicContact CH2-CG2 4.11Å; W451-V627 HydrophobicContact CZ2-CB 4.29Å; W451-V627 HydrophobicContact CZ2-CG1 3.78Å; W451-V627 HydrophobicContact CZ2-CG2 4.21Å; W451-V627 HydrophobicContact CZ3-CB 4.46Å; W451-V627 HydrophobicContact CZ3-CG1 4.1Å; W451-L634 HydrophobicContact CZ2-CD2 4.07Å |
| 452 | L | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | -178.2 | 176.8 | 67.3 | 0 | 0 | 0 | 112.2 | V408 P409 V427 L430 T454 L455 L456 V624 | V408-L452 HydrophobicContact CG1-CB 4.28Å; V408-L452 HydrophobicContact CG1-CD2 4.3Å; P409-L452 HydrophobicContact CB-CD2 4.45Å; P409-L452 HydrophobicContact CG-CD2 4.25Å; V427-L452 HydrophobicContact CG2-CD2 4.08Å; L430-L452 HydrophobicContact CD1-CD2 4.15Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.41Å; L452-L455 PolarHBondContact O-N 2.58Å; L452-L456 HydrophobicContact CD1-CD1 3.91Å; L452-L456 HydrophobicContact CD1-CD2 4.48Å; L452-L456 HydrophobicContact CD1-CG 3.95Å; L452-L456 HydrophobicContact CD2-CD1 4.49Å; L452-L456 HydrophobicContact CG-CD1 3.87Å; L452-L456 HydrophobicContact CG-CG 4.31Å; L452-L456 WeakPolarHBondContact O-CG 3.27Å; L452-L456 PolarHBondContact O-N 3.41Å; L452-V624 HydrophobicContact CD1-CG1 4.41Å; L452-V624 HydrophobicContact CD1-CG2 3.78Å; L452-V624 HydrophobicContact CD2-CG1 4.4Å |
| 453 | P | 94.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.013 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.6 | -35.2 | 174.3 | -27.9 | 36.8 | 0 | 0 | 0 | 114.2 | F332 V408 L442 G449 S457 | F332-P453 HydrophobicContact CD1-CG 3.95Å; F332-P453 HydrophobicContact CD2-CB 4.32Å; F332-P453 HydrophobicContact CE1-CB 4.4Å; F332-P453 HydrophobicContact CE1-CG 3.84Å; F332-P453 HydrophobicContact CE2-CB 4.14Å; F332-P453 HydrophobicContact CE2-CG 4.44Å; F332-P453 HydrophobicContact CG-CG 4.29Å; F332-P453 HydrophobicContact CZ-CB 4.2Å; F332-P453 HydrophobicContact CZ-CG 4.11Å; V408-P453 HydrophobicContact CG1-CG 4.05Å; L442-P453 HydrophobicContact CD1-CB 4.24Å; L442-P453 HydrophobicContact CD2-CB 3.34Å; L442-P453 HydrophobicContact CD2-CG 4.33Å; L442-P453 HydrophobicContact CG-CB 4.42Å; G449-P453 WeakPolarHBondContact O-CD 3.24Å; P453-S457 VanDerWaalsContact O-CB 3.23Å; P453-S457 WeakPolarHBondContact O-CB 3.28Å; P453-S457 PolarHBondContact O-N 3.25Å; P453-S457 PolarHBondContact O-OG 2.76Å |
| 454 | T | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.9 | -45.5 | 176 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | L442 R450 W451 L452 T458 C511 F513 A607 | L442-T454 WeakPolarHBondContact CD1-OG1 3.26Å; R450-T454 VanDerWaalsContact O-CB 3.24Å; R450-T454 WeakPolarHBondContact O-CB 3.4Å; R450-T454 PolarHBondContact O-N 2.97Å; R450-T454 PolarHBondContact O-OG1 3.03Å; W451-T454 WeakPolarHBondContact O-CB 3.5Å; W451-T454 PolarHBondContact O-N 3.43Å; W451-T454 VanDerWaalsContact O-N 3.13Å; L452-T454 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 3.41Å; T454-T458 WeakPolarHBondContact O-CB 3.42Å; T454-T458 PolarHBondContact O-N 2.76Å; T454-T458 VanDerWaalsContact O-N 3.07Å; T454-T458 PolarHBondContact O-OG1 3.45Å; T454-C511 HydrophobicContact CG2-CB 3.74Å; T454-F513 HydrophobicContact CG2-CD2 4.2Å; T454-F513 HydrophobicContact CG2-CE2 4.45Å; T454-A607 HydrophobicContact CG2-CB 3.88Å |
| 455 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.8 | -52 | 176.9 | 179.2 | 151.3 | 0 | 0 | 0 | 110.9 | W451 L452 T458 Y459 V612 L613 Y616 F623 | W451-L455 HydrophobicContact CH2-CD1 4.28Å; W451-L455 HydrophobicContact CZ2-CD1 3.84Å; W451-L455 PolarHBondContact O-N 3.07Å; L452-L455 PolarHBondContact O-N 2.58Å; L455-T458 PolarHBondContact O-N 3.23Å; L455-Y459 WeakPolarHBondContact O-CB 3.35Å; L455-Y459 PolarHBondContact O-N 2.87Å; L455-V612 HydrophobicContact CD1-CG1 3.64Å; L455-L613 HydrophobicContact CG-CD2 4.41Å; L455-Y616 HydrophobicContact CD2-CD1 3.81Å; L455-Y616 HydrophobicContact CD2-CD2 3.73Å; L455-Y616 HydrophobicContact CD2-CE1 4.23Å; L455-Y616 HydrophobicContact CD2-CE2 4.15Å; L455-Y616 HydrophobicContact CD2-CG 3.57Å; L455-F623 HydrophobicContact CD1-CE1 4.04Å |
| 456 | L | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | -177.6 | -68.7 | 176.5 | 0 | 0 | 0 | 112.4 | L430 E431 I434 L452 T458 Y459 H460 Y616 | L430-L456 HydrophobicContact CB-CD1 4.48Å; E431-L456 HydrophobicContact CB-CD1 4.34Å; E431-L456 HydrophobicContact CB-CD2 4.18Å; E431-L456 HydrophobicContact CG-CD2 4.11Å; I434-L456 HydrophobicContact CD1-CB 3.45Å; I434-L456 VanDerWaalsContact CD1-CB 3.45Å; I434-L456 HydrophobicContact CD1-CD1 3.78Å; I434-L456 HydrophobicContact CD1-CG 4.27Å; I434-L456 HydrophobicContact CG2-CB 4.44Å; L452-L456 HydrophobicContact CD1-CD1 3.91Å; L452-L456 HydrophobicContact CD1-CD2 4.48Å; L452-L456 HydrophobicContact CD1-CG 3.95Å; L452-L456 HydrophobicContact CD2-CD1 4.49Å; L452-L456 HydrophobicContact CG-CD1 3.87Å; L452-L456 HydrophobicContact CG-CG 4.31Å; L452-L456 WeakPolarHBondContact O-CG 3.27Å; L452-L456 PolarHBondContact O-N 3.41Å; L456-T458 VanDerWaalsContact C-N 3.32Å; L456-T458 PolarHBondContact O-N 3.09Å; L456-Y459 PolarHBondContact O-N 3.2Å; L456-H460 PolarHBondContact O-CD2 3.31Å; L456-H460 PolarHBondContact O-N 2.79Å; L456-Y616 HydrophobicContact CD2-CE1 3.74Å; L456-Y616 HydrophobicContact CD2-CE2 4.27Å; L456-Y616 WeakPolarHBondContact CD2-OH 3.31Å |
| 457 | S | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.007 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | P453 S461 K462 | P453-S457 VanDerWaalsContact O-CB 3.23Å; P453-S457 WeakPolarHBondContact O-CB 3.28Å; P453-S457 PolarHBondContact O-N 3.25Å; P453-S457 PolarHBondContact O-OG 2.76Å; S457-S461 PolarHBondContact O-N 3.38Å; S457-K462 PolarHBondContact O-N 2.8Å |
| 458 | T | 92.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 9.9 Ų | 9.9 | 2% | 0.018 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.7 | -47.2 | 175.3 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | T454 L455 L456 H460 S461 C608 L613 | T454-T458 WeakPolarHBondContact O-CB 3.42Å; T454-T458 PolarHBondContact O-N 2.76Å; T454-T458 VanDerWaalsContact O-N 3.07Å; T454-T458 PolarHBondContact O-OG1 3.45Å; L455-T458 PolarHBondContact O-N 3.23Å; L456-T458 VanDerWaalsContact C-N 3.32Å; L456-T458 PolarHBondContact O-N 3.09Å; T458-H460 VanDerWaalsContact C-N 3.32Å; T458-H460 PolarHBondContact O-N 2.88Å; T458-S461 PolarHBondContact O-N 3.32Å; T458-S461 VanDerWaalsContact O-N 3.09Å; T458-C608 HydrophobicContact CG2-CB 4Å; T458-L613 HydrophobicContact CG2-CD1 3.86Å; T458-L613 HydrophobicContact CG2-CD2 4.3Å |
| 459 | Y | 93 | Very high | 93.1 | Very high | 34 Ų | 34 | 10.9 Ų | 10.9 | 13% | 0.133 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | -178.2 | -178 | -102.3 | 0 | 0 | 0 | 112.5 | L455 L456 W483 L613 Y616 Q617 | L455-Y459 WeakPolarHBondContact O-CB 3.35Å; L455-Y459 PolarHBondContact O-N 2.87Å; L456-Y459 PolarHBondContact O-N 3.2Å; Y459-W483 AromaticContact CD2-CZ2 3.82Å; Y459-W483 HydrophobicContact CD2-CZ2 3.82Å; Y459-W483 AromaticContact CE2-CZ2 3.91Å; Y459-W483 HydrophobicContact CE2-CZ2 3.91Å; Y459-W483 PolarHBondContact O-NE1 3.41Å; Y459-L613 HydrophobicContact CD2-CD2 4.47Å; Y459-Y616 HydrophobicContact CD1-CE1 4.4Å; Y459-Y616 HydrophobicContact CD2-CD1 4.33Å; Y459-Y616 HydrophobicContact CE1-CE1 4.5Å; Y459-Y616 HydrophobicContact CE2-CD1 4.44Å; Y459-Y616 HydrophobicContact CG-CD1 4.38Å; Y459-Q617 HydrophobicContact CE2-CB 4Å; Y459-Q617 HydrophobicContact CE2-CG 4.33Å |
| 460 | H | 93 | Very high | 92.9 | Very high | 42 Ų | 42 | 12.3 Ų | 12.3 | 19% | 0.194 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 2.8 | 178.1 | -72.9 | -65.2 | 0 | 0 | 0 | 114.7 | E431 L456 T458 K462 | E431-H460 WeakPolarHBondContact CG-NE2 3.31Å; E431-H460 IonicContact OE1-CD2 3.55Å; E431-H460 IonicContact OE1-CE1 2.72Å; E431-H460 PolarHBondContact OE1-CE1 3.47Å; E431-H460 VanDerWaalsContact OE1-CE1 3.29Å; E431-H460 IonicContact OE1-NE2 3.36Å; E431-H460 PolarHBondContact OE1-NE2 3.08Å; L456-H460 PolarHBondContact O-CD2 3.31Å; L456-H460 PolarHBondContact O-N 2.79Å; T458-H460 VanDerWaalsContact C-N 3.32Å; T458-H460 PolarHBondContact O-N 2.88Å; H460-K462 VanDerWaalsContact C-N 3.31Å; H460-K462 HydrophobicContact CB-CG 4.02Å; H460-K462 PolarHBondContact O-N 3.45Å |
| 461 | S | 92 | Very high | 92.4 | Very high | 41 Ų | 41 | 17.7 Ų | 17.7 | 29% | 0.287 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 43.2 | -179.1 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | S457 T458 I481 | S457-S461 PolarHBondContact O-N 3.38Å; T458-S461 PolarHBondContact O-N 3.32Å; T458-S461 VanDerWaalsContact O-N 3.09Å; S461-I481 WeakPolarHBondContact O-CG2 3.44Å |
| 462 | K | 93.2 | Very high | 92.1 | Very high | 41 Ų | 41 | 19.7 Ų | 19.7 | 18% | 0.178 | 11% | 0.107 | C | C | . | . | trans | -93 | 146.7 | 175.1 | -61.7 | -60.5 | -167.5 | 155.6 | 0 | 110.8 | I434 K435 H437 I440 S457 H460 A464 | I434-K462 HydrophobicContact CG2-CB 4.47Å; I434-K462 HydrophobicContact CG2-CG 4.03Å; I434-K462 VanDerWaalsContact O-CE 3.3Å; I434-K462 WeakPolarHBondContact O-CE 3.38Å; K435-K462 WeakPolarHBondContact O-CE 3.43Å; K435-K462 PolarHBondContact O-NZ 3.31Å; H437-K462 VanDerWaalsContact O-CD 3.28Å; H437-K462 WeakPolarHBondContact O-CD 3.37Å; H437-K462 VanDerWaalsContact O-CE 3.22Å; H437-K462 WeakPolarHBondContact O-CE 3.27Å; H437-K462 PolarHBondContact O-NZ 3.48Å; I440-K462 HydrophobicContact CG1-CB 4.07Å; S457-K462 PolarHBondContact O-N 2.8Å; H460-K462 VanDerWaalsContact C-N 3.31Å; H460-K462 HydrophobicContact CB-CG 4.02Å; H460-K462 PolarHBondContact O-N 3.45Å; K462-A464 PolarHBondContact O-N 3.13Å | ||
| 463 | L | 94.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109.7 | 177.5 | 177.1 | 59 | 0 | 0 | 0 | 109.2 | I439 I440 F465 R478 I481 C555 | I439-L463 WeakPolarHBondContact CA-O 3.37Å; I439-L463 HydrophobicContact CD1-CD2 4.33Å; I439-L463 HydrophobicContact CG1-CD2 4.41Å; I440-L463 PolarHBondContact N-O 3.18Å; L463-F465 HydrophobicContact CD1-CE2 4.03Å; L463-F465 HydrophobicContact CD1-CZ 4.12Å; L463-F465 HydrophobicContact CD2-CE2 3.66Å; L463-F465 HydrophobicContact CD2-CZ 3.94Å; L463-F465 HydrophobicContact CG-CD2 4.31Å; L463-F465 HydrophobicContact CG-CE2 3.56Å; L463-F465 HydrophobicContact CG-CZ 4.07Å; L463-R478 HydrophobicContact CD1-CB 4.49Å; L463-I481 HydrophobicContact CB-CD1 3.71Å; L463-I481 HydrophobicContact CD1-CD1 3.87Å; L463-I481 HydrophobicContact CG-CD1 4.33Å; L463-C555 HydrophobicContact CD2-CB 4.19Å |
| 464 | A | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I440 K462 R478 H479 | I440-A464 HydrophobicContact CB-CB 4.27Å; I440-A464 CarbonylContact O-C 3.52Å; I440-A464 VanDerWaalsContact O-CA 3.25Å; I440-A464 WeakPolarHBondContact O-CA 3.33Å; K462-A464 PolarHBondContact O-N 3.13Å; A464-R478 WeakPolarHBondContact O-CA 3.44Å; A464-H479 HydrophobicContact CB-CB 4.2Å; A464-H479 PolarHBondContact O-N 3.48Å |
| 465 | F | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.6 | 172.9 | -68.5 | -90.2 | 0 | 0 | 0 | 109.8 | I439 I440 F441 L442 L463 L477 R478 L551 M552 | I439-F465 HydrophobicContact CG2-CD2 3.76Å; I439-F465 HydrophobicContact CG2-CE2 3.82Å; I440-F465 PolarHBondContact O-N 3.3Å; F441-F465 HydrophobicContact CD1-CB 3.72Å; F441-F465 HydrophobicContact CD1-CG 4.43Å; F441-F465 HydrophobicContact CE1-CB 3.79Å; F441-F465 HydrophobicContact CE1-CD2 4.12Å; F441-F465 HydrophobicContact CE1-CG 4.03Å; F441-F465 HydrophobicContact CZ-CD2 4.23Å; L442-F465 PolarHBondContact N-O 3.37Å; L463-F465 HydrophobicContact CD1-CE2 4.03Å; L463-F465 HydrophobicContact CD1-CZ 4.12Å; L463-F465 HydrophobicContact CD2-CE2 3.66Å; L463-F465 HydrophobicContact CD2-CZ 3.94Å; L463-F465 HydrophobicContact CG-CD2 4.31Å; L463-F465 HydrophobicContact CG-CE2 3.56Å; L463-F465 HydrophobicContact CG-CZ 4.07Å; F465-L477 CarbonylContact C-O 3.6Å; F465-L477 VanDerWaalsContact CA-O 3.29Å; F465-L477 WeakPolarHBondContact CA-O 3.46Å; F465-R478 HydrophobicContact CD1-CB 3.78Å; F465-R478 HydrophobicContact CE1-CB 3.49Å; F465-R478 VanDerWaalsContact CE1-CB 3.49Å; F465-R478 HydrophobicContact CZ-CB 4.16Å; F465-L551 HydrophobicContact CD1-CD2 4.34Å; F465-L551 HydrophobicContact CE1-CB 4.39Å; F465-L551 HydrophobicContact CE1-CD2 3.9Å; F465-L551 HydrophobicContact CE1-CG 3.88Å; F465-M552 HydrophobicContact CE2-CB 3.98Å; F465-M552 HydrophobicContact CE2-CG 4.08Å; F465-M552 HydrophobicContact CZ-CB 3.95Å; F465-M552 HydrophobicContact CZ-CG 4.45Å |
| 466 | T | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.5 | 165.1 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | R450 I476 L477 H479 Y512 | R450-T466 VanDerWaalsContact NH1-CG2 3.27Å; T466-I476 WeakPolarHBondContact O-CA 3.23Å; T466-L477 PolarHBondContact N-O 3.48Å; T466-L477 PolarHBondContact O-N 2.97Å; T466-H479 PolarHBondContact OG1-CE1 2.64Å; T466-H479 PolarHBondContact OG1-NE2 3.33Å; T466-Y512 HydrophobicContact CG2-CD2 3.62Å; T466-Y512 HydrophobicContact CG2-CE2 4.2Å; T466-Y512 HydrophobicContact CG2-CG 4.08Å |
| 467 | V | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | 174.4 | -171 | 0 | 0 | 0 | 0 | 108.1 | L337 I341 F441 L442 L443 L475 I476 A544 A548 | L337-V467 HydrophobicContact CD1-CB 4.38Å; L337-V467 HydrophobicContact CD1-CG1 4.03Å; L337-V467 WeakPolarHBondContact CD1-O 3.41Å; L337-V467 HydrophobicContact CD2-CG1 3.84Å; I341-V467 HydrophobicContact CD1-CB 4.27Å; I341-V467 HydrophobicContact CD1-CG1 4.4Å; I341-V467 HydrophobicContact CD1-CG2 3.97Å; F441-V467 HydrophobicContact CD1-CG2 4.33Å; L442-V467 PolarHBondContact O-N 2.77Å; L443-V467 HydrophobicContact CD2-CB 3.65Å; L443-V467 HydrophobicContact CD2-CG2 3.9Å; V467-L475 CarbonylContact C-O 3.33Å; V467-L475 VanDerWaalsContact CA-O 3.32Å; V467-L475 WeakPolarHBondContact CA-O 2.98Å; V467-I476 HydrophobicContact CG1-CG1 4.32Å; V467-A544 HydrophobicContact CG1-CB 4.07Å; V467-A548 HydrophobicContact CG1-CB 4.47Å; V467-A548 HydrophobicContact CG2-CB 3.55Å |
| 468 | A | 90.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 12% | 0.124 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 147.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y474 L475 | A468-Y474 CarbonylContact O-C 3.5Å; A468-Y474 VanDerWaalsContact O-CA 3.27Å; A468-Y474 WeakPolarHBondContact O-CA 3.4Å; A468-L475 HydrophobicContact CB-CB 4.35Å; A468-L475 PolarHBondContact N-O 3.26Å; A468-L475 PolarHBondContact O-N 3.14Å |
| 469 | V | 88.4 | Confident | 91.7 | Very high | 24 Ų | 24 | 23.5 Ų | 23.5 | 15% | 0.145 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.5 | 175.1 | -69 | 0 | 0 | 0 | 0 | 109.2 | L337 T536 V540 A544 | L337-V469 HydrophobicContact CD1-CG1 4.11Å; L337-V469 HydrophobicContact CD1-CG2 4.1Å; L337-V469 HydrophobicContact CD2-CG1 3.85Å; L337-V469 HydrophobicContact CG-CG1 4.21Å; L337-V469 HydrophobicContact CG-CG2 4.38Å; V469-T536 HydrophobicContact CB-CG2 4.09Å; V469-T536 HydrophobicContact CG2-CG2 4.17Å; V469-V540 HydrophobicContact CB-CG1 4.17Å; V469-V540 HydrophobicContact CG1-CG1 3.91Å; V469-A544 HydrophobicContact CG1-CB 3.98Å |
| 470 | G | 83 | Confident | 91.6 | Very high | 30 Ų | 30 | 22 Ų | 22 | 31% | 0.309 | 12% | 0.124 | S | C | . | . | trans | -94.7 | -157.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S473 T536 | G470-S473 PolarHBondContact N-O 3.35Å; G470-T536 WeakPolarHBondContact O-CG2 3.3Å; G470-T536 PolarHBondContact O-OG1 3.21Å | ||
| 471 | F | 80.7 | Confident | 91.3 | Very high | 126 Ų | 126 | 20.9 Ų | 20.9 | 55% | 0.553 | 12% | 0.119 | S | C | * | . | S | Bend | trans | -64.7 | -54.6 | 173.5 | 175.6 | -103.5 | 0 | 0 | 0 | 111.7 | V535 R537 | F471-V535 WeakPolarHBondContact CA-O 3.33Å; F471-V535 HydrophobicContact CD2-CG1 3.78Å; F471-V535 VanDerWaalsContact CD2-O 3.24Å; F471-V535 WeakPolarHBondContact CD2-O 3.45Å; F471-V535 HydrophobicContact CE2-CG1 3.92Å; F471-R537 WeakPolarHBondContact O-CB 3.33Å; F471-R537 PolarHBondContact O-N 3.38Å |
| 472 | D | 86.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 19 Ų | 19 | 22% | 0.219 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -129.1 | 11.9 | -178 | 71.8 | -29.9 | 0 | 0 | 0 | 113.2 | L589 S590 | D472-L589 VanDerWaalsContact O-CB 3.22Å; D472-L589 WeakPolarHBondContact O-CB 3.34Å; D472-L589 PolarHBondContact O-N 3.35Å; D472-S590 WeakPolarHBondContact OD2-CB 3.26Å; D472-S590 PolarHBondContact OD2-OG 2.99Å |
| 473 | S | 89.1 | Confident | 89.6 | Confident | 36 Ų | 36 | 17.2 Ų | 17.2 | 25% | 0.252 | 10% | 0.099 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 162.7 | -178.7 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | G470 V540 G587 | G470-S473 PolarHBondContact N-O 3.35Å; S473-V540 WeakPolarHBondContact O-CG1 3.42Å; S473-G587 CarbonylContact C-O 3.6Å; S473-G587 WeakPolarHBondContact CA-O 3.24Å; S473-G587 WeakPolarHBondContact CB-O 3.4Å |
| 474 | Y | 92 | Very high | 88.4 | Confident | 13 Ų | 13 | 22 Ų | 22 | 5% | 0.051 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 155.3 | 174.6 | 61 | -98.2 | 0 | 0 | 0 | 111.8 | A468 I476 V540 L543 A544 I547 V585 R586 G587 Q594 | A468-Y474 CarbonylContact O-C 3.5Å; A468-Y474 VanDerWaalsContact O-CA 3.27Å; A468-Y474 WeakPolarHBondContact O-CA 3.4Å; Y474-I476 HydrophobicContact CD2-CD1 3.31Å; Y474-I476 HydrophobicContact CE2-CD1 3.47Å; Y474-I476 VanDerWaalsContact CE2-CD1 3.47Å; Y474-V540 HydrophobicContact CD1-CG1 4.13Å; Y474-L543 HydrophobicContact CE1-CB 4.08Å; Y474-L543 HydrophobicContact CE1-CD1 4.47Å; Y474-A544 HydrophobicContact CD2-CB 4.16Å; Y474-A544 HydrophobicContact CG-CB 3.92Å; Y474-I547 HydrophobicContact CE2-CD1 3.66Å; Y474-I547 WeakPolarHBondContact OH-CD1 3.23Å; Y474-V585 HydrophobicContact CE2-CG1 4.5Å; Y474-R586 WeakPolarHBondContact O-CA 3.39Å; Y474-G587 VanDerWaalsContact CZ-CA 3.47Å; Y474-G587 PolarHBondContact N-O 2.84Å; Y474-G587 PolarHBondContact O-N 3.17Å; Y474-Q594 WeakPolarHBondContact OH-CG 3.37Å; Y474-Q594 PolarHBondContact OH-NE2 2.85Å; Y474-Q594 VanDerWaalsContact OH-NE2 3.17Å |
| 475 | L | 92.2 | Very high | 86.5 | Confident | 27 Ų | 27 | 27.5 Ų | 27.5 | 14% | 0.141 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.7 | 176.1 | 170.7 | 70.2 | 0 | 0 | 0 | 108.8 | V467 A468 L477 Y512 Q584 R586 | V467-L475 CarbonylContact C-O 3.33Å; V467-L475 VanDerWaalsContact CA-O 3.32Å; V467-L475 WeakPolarHBondContact CA-O 2.98Å; A468-L475 HydrophobicContact CB-CB 4.35Å; A468-L475 PolarHBondContact N-O 3.26Å; A468-L475 PolarHBondContact O-N 3.14Å; L475-L477 HydrophobicContact CD1-CB 4.48Å; L475-Y512 HydrophobicContact CD2-CD2 4.05Å; L475-Y512 HydrophobicContact CD2-CE2 3.86Å; L475-Q584 HydrophobicContact CD1-CB 4.14Å; L475-R586 HydrophobicContact CD1-CG 3.72Å |
| 476 | I | 94.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129 | 164.6 | -58.3 | 94.8 | 0 | 0 | 0 | 106.4 | T466 V467 Y474 I547 A548 L551 Q584 V585 | T466-I476 WeakPolarHBondContact O-CA 3.23Å; V467-I476 HydrophobicContact CG1-CG1 4.32Å; Y474-I476 HydrophobicContact CD2-CD1 3.31Å; Y474-I476 HydrophobicContact CE2-CD1 3.47Å; Y474-I476 VanDerWaalsContact CE2-CD1 3.47Å; I476-I547 HydrophobicContact CD1-CB 4Å; I476-I547 HydrophobicContact CD1-CG2 3.78Å; I476-I547 HydrophobicContact CG1-CG2 4.33Å; I476-A548 HydrophobicContact CG1-CB 4.04Å; I476-A548 HydrophobicContact CG2-CB 3.99Å; I476-L551 HydrophobicContact CG2-CD2 3.87Å; I476-Q584 CarbonylContact O-C 3.54Å; I476-Q584 WeakPolarHBondContact O-CA 3.46Å; I476-Q584 VanDerWaalsContact O-CB 3.29Å; I476-Q584 WeakPolarHBondContact O-CB 3.36Å; I476-V585 HydrophobicContact CB-CB 4.46Å; I476-V585 HydrophobicContact CD1-CB 4.29Å; I476-V585 PolarHBondContact N-O 3.01Å; I476-V585 PolarHBondContact O-N 3.24Å |
| 477 | L | 93.6 | Very high | 82 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 122.8 | -178.1 | 173.1 | 84.9 | 0 | 0 | 0 | 109 | F465 T466 L475 Y512 H583 Q584 | F465-L477 CarbonylContact C-O 3.6Å; F465-L477 VanDerWaalsContact CA-O 3.29Å; F465-L477 WeakPolarHBondContact CA-O 3.46Å; T466-L477 PolarHBondContact N-O 3.48Å; T466-L477 PolarHBondContact O-N 2.97Å; L475-L477 HydrophobicContact CD1-CB 4.48Å; L477-Y512 VanDerWaalsContact CD2-CA 3.48Å; L477-Y512 VanDerWaalsContact CD2-N 3.27Å; L477-H583 WeakPolarHBondContact CD1-CE1 3.35Å; L477-H583 VanDerWaalsContact CD1-NE2 3.27Å; L477-H583 WeakPolarHBondContact CD1-NE2 3.41Å; L477-Q584 HydrophobicContact CB-CB 4.28Å; L477-Q584 HydrophobicContact CD1-CB 3.71Å; L477-Q584 HydrophobicContact CD1-CG 4.28Å |
| 478 | R | 94.4 | Very high | 79.5 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.7 | 167.4 | 71.9 | -178.3 | 173.6 | 121.3 | -1.1 | 110.4 | L463 A464 F465 L509 C555 A564 P565 V581 P582 H583 | L463-R478 HydrophobicContact CD1-CB 4.49Å; A464-R478 WeakPolarHBondContact O-CA 3.44Å; F465-R478 HydrophobicContact CD1-CB 3.78Å; F465-R478 HydrophobicContact CE1-CB 3.49Å; F465-R478 VanDerWaalsContact CE1-CB 3.49Å; F465-R478 HydrophobicContact CZ-CB 4.16Å; R478-L509 HydrophobicContact CG-CD1 4.21Å; R478-C555 VanDerWaalsContact CD-SG 3.58Å; R478-A564 VanDerWaalsContact CZ-O 3.31Å; R478-A564 PolarHBondContact NH1-O 3.31Å; R478-A564 PolarHBondContact NH2-O 2.84Å; R478-P565 PolarHBondContact NH2-O 2.93Å; R478-V581 PolarHBondContact NH2-O 3.03Å; R478-P582 WeakPolarHBondContact CD-O 3.49Å; R478-P582 PolarHBondContact NE-O 3.27Å; R478-H583 PolarHBondContact N-O 3.29Å; R478-H583 PolarHBondContact O-CD2 2.99Å; R478-H583 PolarHBondContact O-NE2 2.74Å |
| 479 | H | 94.1 | Very high | 77 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 149.3 | -177.1 | -66.7 | -161.2 | 0 | 0 | 0 | 110.7 | A464 T466 | A464-H479 HydrophobicContact CB-CB 4.2Å; A464-H479 PolarHBondContact O-N 3.48Å; T466-H479 PolarHBondContact OG1-CE1 2.64Å; T466-H479 PolarHBondContact OG1-NE2 3.33Å |
| 480 | G | 90.4 | Very high | 74.6 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 144.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G506 L509 R601 | G480-G506 WeakPolarHBondContact CA-O 3.26Å; G480-L509 WeakPolarHBondContact CA-O 3.41Å; G480-L509 PolarHBondContact N-O 3.23Å; G480-R601 VanDerWaalsContact C-NH2 3.3Å; G480-R601 PolarHBondContact O-NH2 3.14Å |
| 481 | I | 87.6 | Confident | 72.2 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | trans | -110.3 | 152.1 | -174.6 | -57.9 | 178.7 | 0 | 0 | 0 | 110.6 | S461 L463 G506 N507 M563 | S461-I481 WeakPolarHBondContact O-CG2 3.44Å; L463-I481 HydrophobicContact CB-CD1 3.71Å; L463-I481 HydrophobicContact CD1-CD1 3.87Å; L463-I481 HydrophobicContact CG-CD1 4.33Å; I481-G506 PolarHBondContact N-O 3.26Å; I481-N507 WeakPolarHBondContact O-CA 3.43Å; I481-N507 WeakPolarHBondContact O-CB 3.28Å; I481-M563 HydrophobicContact CB-SD 3.77Å; I481-M563 HydrophobicContact CG2-SD 4.05Å | ||
| 482 | G | 74.8 | Confident | 69.8 | Low | 3 Ų | 3 | 58.6 Ų | 58.6 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | trans | 92.9 | 42.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | K484 Q485 | G482-K484 PolarHBondContact O-N 2.79Å; G482-Q485 PolarHBondContact O-N 2.77Å; G482-Q485 VanDerWaalsContact O-N 3.14Å | ||
| 483 | W | 74.3 | Confident | 67 | Low | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.011 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -29.6 | 174.6 | 84.5 | -77.8 | 0 | 0 | 0 | 113.6 | Y459 Q485 Q486 L613 | Y459-W483 AromaticContact CD2-CZ2 3.82Å; Y459-W483 HydrophobicContact CD2-CZ2 3.82Å; Y459-W483 AromaticContact CE2-CZ2 3.91Å; Y459-W483 HydrophobicContact CE2-CZ2 3.91Å; Y459-W483 PolarHBondContact O-NE1 3.41Å; W483-Q485 VanDerWaalsContact C-N 3.26Å; W483-Q485 PolarHBondContact O-N 2.9Å; W483-Q486 PolarHBondContact O-N 2.6Å; W483-L613 HydrophobicContact CB-CD1 3.95Å; W483-L613 HydrophobicContact CD2-CB 4.44Å; W483-L613 HydrophobicContact CD2-CD1 3.63Å; W483-L613 HydrophobicContact CE3-CB 4.22Å; W483-L613 HydrophobicContact CE3-CD1 3.82Å; W483-L613 HydrophobicContact CG-CD1 3.69Å; W483-L613 HydrophobicContact CH2-CB 4.16Å; W483-L613 HydrophobicContact CZ2-CB 4.38Å; W483-L613 HydrophobicContact CZ3-CB 4.06Å |
| 484 | K | 67.9 | Low | 64 | Low | 111 Ų | 111 | 64.3 Ų | 64.3 | 48% | 0.483 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.2 | -25.3 | 177.5 | -65.2 | -173.8 | -178.8 | 177.1 | 0 | 113 | G482 | G482-K484 PolarHBondContact O-N 2.79Å |
| 485 | Q | 57.3 | Low | 61 | Low | 117 Ų | 117 | 72.6 Ų | 72.6 | 55% | 0.547 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -76 | -26.2 | 177.9 | -68.3 | 176.6 | -7.6 | 0 | 0 | 112 | G482 W483 Q487 Q488 | G482-Q485 PolarHBondContact O-N 2.77Å; G482-Q485 VanDerWaalsContact O-N 3.14Å; W483-Q485 VanDerWaalsContact C-N 3.26Å; W483-Q485 PolarHBondContact O-N 2.9Å; Q485-Q487 VanDerWaalsContact C-N 3.26Å; Q485-Q487 PolarHBondContact O-N 2.52Å; Q485-Q488 PolarHBondContact O-N 2.62Å |
| 486 | Q | 52 | Low | 57.9 | Low | 26 Ų | 26 | 81.9 Ų | 81.9 | 12% | 0.121 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.3 | -24.9 | 175 | -73.6 | 177 | -22.5 | 0 | 0 | 112.9 | W483 Q488 Q489 E508 | W483-Q486 PolarHBondContact O-N 2.6Å; Q486-Q488 PolarHBondContact O-N 3.07Å; Q486-Q489 PolarHBondContact O-N 3.32Å; Q486-E508 PolarHBondContact NE2-OE1 3.07Å; Q486-E508 PolarHBondContact NE2-OE2 3.38Å |
| 487 | Q | 45.3 | Very low | 54.7 | Low | 107 Ų | 107 | 86.6 Ų | 86.6 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.1 | 177.6 | -75.3 | -175.9 | -1.5 | 0 | 0 | 113.6 | Q485 | Q485-Q487 VanDerWaalsContact C-N 3.26Å; Q485-Q487 PolarHBondContact O-N 2.52Å |
| 488 | Q | 40.6 | Very low | 51.7 | Low | 169 Ų | 169 | 92.6 Ų | 92.6 | 79% | 0.79 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -13.1 | 179 | -75.6 | 179.5 | -5.9 | 0 | 0 | 113.7 | Q485 Q486 | Q485-Q488 PolarHBondContact O-N 2.62Å; Q486-Q488 PolarHBondContact O-N 3.07Å |
| 489 | Q | 39.1 | Very low | 48.7 | Very low | 145 Ų | 145 | 96.7 Ų | 96.7 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -7.8 | -177.6 | -79.4 | 175.2 | -11.9 | 0 | 0 | 114.5 | Q486 S491 | Q486-Q489 PolarHBondContact O-N 3.32Å; Q489-S491 PolarHBondContact O-N 2.77Å; Q489-S491 VanDerWaalsContact O-N 3.11Å |
| 490 | Q | 36.6 | Very low | 46 | Very low | 154 Ų | 154 | 101.5 Ų | 101.5 | 72% | 0.72 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 6.6 | -176.6 | -82.1 | -178.2 | -12.9 | 0 | 0 | 115.8 | ||
| 491 | S | 32.5 | Very low | 44 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 74% | 0.741 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -2.2 | 175.7 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | Q489 | Q489-S491 PolarHBondContact O-N 2.77Å; Q489-S491 VanDerWaalsContact O-N 3.11Å |
| 492 | I | 31.7 | Very low | 42.7 | Very low | 140 Ų | 140 | 107.3 Ų | 107.3 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -139.3 | 124 | -177.2 | -54.3 | 177.1 | 0 | 0 | 0 | 111 | ||
| 493 | S | 27.7 | Very low | 42.7 | Very low | 90 Ų | 90 | 112 Ų | 112 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | trans | 80.4 | 86.1 | 173.2 | 81.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 494 | S | 26.4 | Very low | 43.1 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 76% | 0.755 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -61.9 | 147.5 | 134.5 | 42.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 495 | Q | 28.8 | Very low | 44 | Very low | 186 Ų | 186 | 109.6 Ų | 109.6 | 87% | 0.869 | 60% | 0.597 | S | S | * | * | trans | 74.6 | 88.4 | 175.2 | -50.9 | 179 | -8.8 | 0 | 0 | 116.4 | ||||
| 496 | R | 26.7 | Very low | 45.3 | Very low | 223 Ų | 223 | 104 Ų | 104 | 84% | 0.842 | 57% | 0.571 | S | S | * | * | trans | -124.5 | 129.1 | 150.2 | -88 | -174.8 | 177.5 | 179.7 | -0.1 | 109.8 | ||||
| 497 | P | 26.7 | Very low | 47 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | trans | -72.5 | 163.6 | 173.8 | 31.6 | -31.9 | 0 | 0 | 0 | 110.5 | S499 | P497-S499 VanDerWaalsContact C-N 3.28Å; P497-S499 PolarHBondContact O-N 3Å | ||
| 498 | P | 32 | Very low | 49 | Very low | 132 Ų | 132 | 101.4 Ų | 101.4 | 86% | 0.857 | 56% | 0.56 | S | S | * | * | trans | -72.4 | 81.6 | -179.8 | 30.6 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 499 | S | 30.2 | Very low | 51.4 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | trans | -90.8 | 107.5 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | P497 | P497-S499 VanDerWaalsContact C-N 3.28Å; P497-S499 PolarHBondContact O-N 3Å | ||
| 500 | S | 38.2 | Very low | 53.9 | Low | 105 Ų | 105 | 86.6 Ų | 86.6 | 73% | 0.734 | 49% | 0.491 | S | S | * | . | trans | 38.9 | 85.5 | 160.7 | 63 | 0 | 0 | 0 | 0 | 116.4 | S502 | S500-S502 VanDerWaalsContact C-N 3.3Å; S500-S502 PolarHBondContact O-N 2.97Å | ||
| 501 | V | 48.5 | Very low | 56.5 | Low | 81 Ų | 81 | 79.4 Ų | 79.4 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | trans | -73.9 | 72.5 | -178.7 | -168.8 | 0 | 0 | 0 | 0 | 111.2 | I504 T568 | V501-I504 HydrophobicContact CG1-CD1 4.32Å; V501-I504 HydrophobicContact CG1-CG1 4.06Å; V501-T568 PolarHBondContact O-OG1 2.83Å | ||
| 502 | S | 59.5 | Low | 59.2 | Low | 62 Ų | 62 | 77.1 Ų | 77.1 | 43% | 0.434 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -86.7 | -21.6 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | S500 E567 T568 | S500-S502 VanDerWaalsContact C-N 3.3Å; S500-S502 PolarHBondContact O-N 2.97Å; S502-E567 VanDerWaalsContact O-CA 3.26Å; S502-E567 WeakPolarHBondContact O-CA 3.35Å; S502-T568 WeakPolarHBondContact CA-OG1 3.47Å; S502-T568 PolarHBondContact O-N 2.9Å; S502-T568 VanDerWaalsContact O-N 3.08Å; S502-T568 PolarHBondContact O-OG1 2.84Å |
| 503 | K | 74.1 | Confident | 61.9 | Low | 102 Ų | 102 | 70.4 Ų | 70.4 | 44% | 0.443 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 124.3 | -170.7 | -178.1 | 177.4 | 174.8 | 176.7 | 0 | 112 | P565 E567 H574 | K503-P565 HydrophobicContact CD-CB 4.33Å; K503-P565 VanDerWaalsContact CE-CB 3.48Å; K503-P565 HydrophobicContact CG-CB 3.96Å; K503-E567 HydrophobicContact CB-CG 4.42Å; K503-E567 HydrophobicContact CG-CG 4.36Å; K503-H574 PolarHBondContact NZ-NE2 3.11Å |
| 504 | I | 83.7 | Confident | 64.7 | Low | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.1 | 173 | -58.8 | 171.3 | 0 | 0 | 0 | 108.6 | V501 E508 L509 P565 A566 A598 E600 | V501-I504 HydrophobicContact CG1-CD1 4.32Å; V501-I504 HydrophobicContact CG1-CG1 4.06Å; I504-E508 HydrophobicContact CG2-CB 3.94Å; I504-L509 HydrophobicContact CB-CD2 4.15Å; I504-L509 HydrophobicContact CG2-CD2 3.72Å; I504-P565 CarbonylContact O-C 3.37Å; I504-P565 VanDerWaalsContact O-CA 3.25Å; I504-P565 WeakPolarHBondContact O-CA 3.08Å; I504-P565 WeakPolarHBondContact O-CB 3.08Å; I504-A566 PolarHBondContact N-O 2.79Å; I504-A566 PolarHBondContact O-N 2.86Å; I504-A598 HydrophobicContact CD1-CB 3.77Å; I504-E600 HydrophobicContact CB-CG 4.45Å; I504-E600 HydrophobicContact CD1-CG 3.58Å; I504-E600 HydrophobicContact CG1-CG 3.76Å; I504-E600 HydrophobicContact CG2-CG 3.84Å |
| 505 | S | 86.2 | Confident | 66.7 | Low | 58 Ų | 58 | 65 Ų | 65 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | trans | -68.4 | 147.2 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | N507 E508 | S505-N507 WeakPolarHBondContact CB-OD1 3.5Å; S505-N507 PolarHBondContact O-N 3.38Å; S505-N507 PolarHBondContact OG-OD1 3.37Å; S505-E508 PolarHBondContact O-N 3.3Å | ||
| 506 | G | 85.8 | Confident | 68.2 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -57.9 | -24 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G480 I481 | G480-G506 WeakPolarHBondContact CA-O 3.26Å; I481-G506 PolarHBondContact N-O 3.26Å |
| 507 | N | 87.3 | Confident | 69.6 | Low | 16 Ų | 16 | 52.5 Ų | 52.5 | 9% | 0.086 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -80.7 | -21.8 | 175.3 | 65.4 | -37.1 | 0 | 0 | 0 | 114.7 | I481 S505 M563 R601 | I481-N507 WeakPolarHBondContact O-CA 3.43Å; I481-N507 WeakPolarHBondContact O-CB 3.28Å; S505-N507 WeakPolarHBondContact CB-OD1 3.5Å; S505-N507 PolarHBondContact O-N 3.38Å; S505-N507 PolarHBondContact OG-OD1 3.37Å; N507-M563 HydrophobicContact CB-CE 3.82Å; N507-M563 HydrophobicContact CB-SD 4.4Å; N507-R601 PolarHBondContact O-NH1 3.14Å; N507-R601 VanDerWaalsContact O-NH1 3.11Å; N507-R601 PolarHBondContact O-NH2 3.35Å; N507-R601 VanDerWaalsContact O-NH2 3.15Å |
| 508 | E | 87.4 | Confident | 70.9 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -95.8 | 8.9 | 179.2 | -59.8 | -54.7 | 148.5 | 0 | 0 | 111.9 | Q486 I504 S505 E600 R601 | Q486-E508 PolarHBondContact NE2-OE1 3.07Å; Q486-E508 PolarHBondContact NE2-OE2 3.38Å; I504-E508 HydrophobicContact CG2-CB 3.94Å; S505-E508 PolarHBondContact O-N 3.3Å; E508-E600 CarbonylContact O-C 3.58Å; E508-E600 VanDerWaalsContact O-CA 3.25Å; E508-E600 WeakPolarHBondContact O-CA 3.49Å; E508-R601 WeakPolarHBondContact O-CB 3.33Å; E508-R601 PolarHBondContact O-N 2.88Å |
| 509 | L | 90.6 | Very high | 72.1 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 132.2 | 178.5 | -63 | -179.8 | 0 | 0 | 0 | 111.6 | R478 G480 I504 A566 H583 | R478-L509 HydrophobicContact CG-CD1 4.21Å; G480-L509 WeakPolarHBondContact CA-O 3.41Å; G480-L509 PolarHBondContact N-O 3.23Å; I504-L509 HydrophobicContact CB-CD2 4.15Å; I504-L509 HydrophobicContact CG2-CD2 3.72Å; L509-A566 HydrophobicContact CD2-CB 3.8Å; L509-H583 HydrophobicContact CD2-CB 3.88Å |
| 510 | A | 90.7 | Very high | 73.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | trans | -62.1 | 144.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C514 H583 V599 | A510-C514 HydrophobicContact CB-CB 3.44Å; A510-C514 VanDerWaalsContact CB-CB 3.44Å; A510-H583 PolarHBondContact N-NE2 2.69Å; A510-H583 PolarHBondContact O-NE2 3.13Å; A510-V599 HydrophobicContact CB-CB 3.95Å; A510-V599 HydrophobicContact CB-CG1 3.92Å; A510-V599 VanDerWaalsContact CB-O 3.26Å; A510-V599 WeakPolarHBondContact CB-O 3.13Å; A510-V599 PolarHBondContact N-O 3.43Å | ||
| 511 | C | 92.4 | Very high | 74 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | trans | -88.3 | 178.7 | 166.5 | 82 | 0 | 0 | 0 | 0 | 111.2 | T454 F513 C514 C608 | T454-C511 HydrophobicContact CG2-CB 3.74Å; C511-F513 PolarHBondContact O-N 3.4Å; C511-F513 VanDerWaalsContact O-N 3.17Å; C511-F513 PolarHBondContact SG-N 2.57Å; C511-F513 VanDerWaalsContact SG-N 3.43Å; C511-C514 PolarHBondContact N-SG 3.46Å; C511-C514 WeakPolarHBondContact O-CB 3.19Å; C511-C514 PolarHBondContact O-N 3.05Å; C511-C514 VanDerWaalsContact O-N 3.1Å; C511-C608 HydrophobicContact CB-CB 4.12Å; C511-C608 PolarHBondContact SG-SG 3.41Å | ||
| 512 | Y | 89.2 | Confident | 74.6 | Confident | 58 Ų | 58 | 36.4 Ų | 36.4 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -56 | -34.8 | -178.6 | -177.2 | -101.4 | 0 | 0 | 0 | 113.2 | R447 T466 L475 L477 | R447-Y512 HydrophobicContact CG-CE1 4.07Å; T466-Y512 HydrophobicContact CG2-CD2 3.62Å; T466-Y512 HydrophobicContact CG2-CE2 4.2Å; T466-Y512 HydrophobicContact CG2-CG 4.08Å; L475-Y512 HydrophobicContact CD2-CD2 4.05Å; L475-Y512 HydrophobicContact CD2-CE2 3.86Å; L477-Y512 VanDerWaalsContact CD2-CA 3.48Å; L477-Y512 VanDerWaalsContact CD2-N 3.27Å |
| 513 | F | 88.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -89.8 | -2.7 | -177.5 | -58.7 | -88.3 | 0 | 0 | 0 | 114.1 | R447 R450 W451 T454 C511 C515 D516 P520 C605 V606 A607 | R447-F513 HydrophobicContact CG-CE1 3.95Å; R447-F513 VanDerWaalsContact O-CZ 3.28Å; R447-F513 WeakPolarHBondContact O-CZ 3.34Å; R450-F513 HydrophobicContact CB-CE2 4.27Å; R450-F513 HydrophobicContact CB-CZ 4.17Å; W451-F513 HydrophobicContact CB-CE1 4.45Å; W451-F513 HydrophobicContact CB-CE2 4.22Å; W451-F513 HydrophobicContact CB-CZ 3.79Å; T454-F513 HydrophobicContact CG2-CD2 4.2Å; T454-F513 HydrophobicContact CG2-CE2 4.45Å; C511-F513 PolarHBondContact O-N 3.4Å; C511-F513 VanDerWaalsContact O-N 3.17Å; C511-F513 PolarHBondContact SG-N 2.57Å; C511-F513 VanDerWaalsContact SG-N 3.43Å; F513-C515 PolarHBondContact O-N 2.82Å; F513-D516 PolarHBondContact O-N 2.97Å; F513-P520 HydrophobicContact CE1-CB 4.42Å; F513-P520 HydrophobicContact CE1-CG 4.37Å; F513-C605 VanDerWaalsContact C-SG 3.54Å; F513-V606 HydrophobicContact CB-CG2 3.95Å; F513-V606 HydrophobicContact CD1-CG2 4.21Å; F513-V606 HydrophobicContact CG-CG2 4.33Å; F513-A607 HydrophobicContact CB-CB 4.01Å; F513-A607 HydrophobicContact CD2-CB 3.5Å; F513-A607 HydrophobicContact CE2-CB 4.21Å; F513-A607 HydrophobicContact CG-CB 3.94Å |
| 514 | C | 85.4 | Confident | 73.7 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -69.9 | -22.6 | 179.8 | -77.5 | 0 | 0 | 0 | 0 | 113.1 | A510 C511 F602 C605 C608 | A510-C514 HydrophobicContact CB-CB 3.44Å; A510-C514 VanDerWaalsContact CB-CB 3.44Å; C511-C514 PolarHBondContact N-SG 3.46Å; C511-C514 WeakPolarHBondContact O-CB 3.19Å; C511-C514 PolarHBondContact O-N 3.05Å; C511-C514 VanDerWaalsContact O-N 3.1Å; C514-F602 HydrophobicContact CB-CB 4.03Å; C514-F602 WeakPolarHBondContact O-CB 3.41Å; C514-C605 VanDerWaalsContact SG-SG 3.62Å; C514-C608 PolarHBondContact SG-SG 2.9Å |
| 515 | C | 67.7 | Low | 72.4 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -94 | 0.9 | -179.7 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | F513 | F513-C515 PolarHBondContact O-N 2.82Š|
| 516 | D | 61.5 | Low | 70.4 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | trans | -109.2 | 125 | 179.8 | -83.2 | -36.8 | 0 | 0 | 0 | 110.8 | R447 F513 T518 | R447-D516 IonicContact CZ-OD2 3.94Å; R447-D516 IonicContact NE-OD2 3.68Å; R447-D516 PolarHBondContact NE-OD2 3.47Å; R447-D516 IonicContact NH2-OD1 2.72Å; R447-D516 IonicContact NH2-OD2 2.6Å; R447-D516 PolarHBondContact NH2-OD2 3.49Å; F513-D516 PolarHBondContact O-N 2.97Å; D516-T518 VanDerWaalsContact C-N 3.27Å; D516-T518 PolarHBondContact O-N 2.95Å | ||
| 517 | V | 56.5 | Low | 68.5 | Low | 96 Ų | 96 | 49.6 Ų | 49.6 | 58% | 0.582 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -89.9 | 16.5 | 174.8 | -87.5 | 0 | 0 | 0 | 0 | 113.2 | L640 K644 | V517-L640 HydrophobicContact CB-CD2 4.5Å; V517-L640 HydrophobicContact CG1-CD2 4.18Å; V517-K644 WeakPolarHBondContact O-CE 3.24Å |
| 518 | T | 54.1 | Low | 66.2 | Low | 63 Ų | 63 | 52.5 Ų | 52.5 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -129.2 | 137.8 | 179.6 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | R447 D516 | R447-T518 PolarHBondContact NH2-O 3.13Å; D516-T518 VanDerWaalsContact C-N 3.27Å; D516-T518 PolarHBondContact O-N 2.95Å |
| 519 | A | 55.5 | Low | 63.9 | Low | 15 Ų | 15 | 56.2 Ų | 56.2 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | trans | -58.7 | 144.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G521 L634 E635 | A519-G521 PolarHBondContact O-N 3.45Å; A519-L634 HydrophobicContact CB-CB 4.47Å; A519-E635 HydrophobicContact CB-CG 3.71Å; A519-E635 PolarHBondContact N-OE1 3.24Å | ||
| 520 | P | 53.6 | Low | 61.3 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -61.2 | 109.2 | 173 | 21.7 | -29.2 | 0 | 0 | 0 | 110.1 | P411 E448 F513 P631 L634 | P411-P520 HydrophobicContact CB-CB 4.29Å; P411-P520 HydrophobicContact CB-CG 3.82Å; P411-P520 HydrophobicContact CG-CG 3.87Å; E448-P520 HydrophobicContact CG-CB 4.18Å; F513-P520 HydrophobicContact CE1-CB 4.42Å; F513-P520 HydrophobicContact CE1-CG 4.37Å; P520-P631 WeakPolarHBondContact O-CB 3.3Å; P520-L634 HydrophobicContact CG-CD1 4.39Å | ||
| 521 | G | 56.1 | Low | 59 | Low | 37 Ų | 37 | 67 Ų | 67 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | trans | -86.1 | -176.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E448 A519 S523 | E448-G521 VanDerWaalsContact CG-O 3.26Å; E448-G521 WeakPolarHBondContact CG-O 3.42Å; A519-G521 PolarHBondContact O-N 3.45Å; G521-S523 PolarHBondContact O-N 2.84Å; G521-S523 VanDerWaalsContact O-N 3.12Å | ||
| 522 | N | 59.7 | Low | 57 | Low | 51 Ų | 51 | 71.1 Ų | 71.1 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | trans | -80.9 | 92 | -178.8 | -172.9 | -18.5 | 0 | 0 | 0 | 112 | M524 L525 | N522-M524 PolarHBondContact O-N 3.05Å; N522-M524 WeakPolarHBondContact OD1-CB 3.34Å; N522-M524 PolarHBondContact OD1-N 3.37Å; N522-L525 HydrophobicContact CB-CD1 3.96Å; N522-L525 VanDerWaalsContact ND2-CD1 3.32Å; N522-L525 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 523 | S | 58.1 | Low | 55.2 | Low | 39 Ų | 39 | 70 Ų | 70 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 0.9 | 179 | 69.3 | 0 | 0 | 0 | 0 | 115.7 | E448 G521 | E448-S523 WeakPolarHBondContact OE1-CB 3.39Å; E448-S523 PolarHBondContact OE1-N 2.7Å; E448-S523 PolarHBondContact OE1-OG 3.27Å; E448-S523 PolarHBondContact OE2-OG 3.39Å; G521-S523 PolarHBondContact O-N 2.84Å; G521-S523 VanDerWaalsContact O-N 3.12Å |
| 524 | M | 57.7 | Low | 53.7 | Low | 100 Ų | 100 | 73.3 Ų | 73.3 | 49% | 0.493 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -18.9 | 179.6 | -65.5 | -82.3 | -86.2 | 0 | 0 | 113.1 | T446 N522 D526 | T446-M524 HydrophobicContact CG2-CG 4.3Å; T446-M524 HydrophobicContact CG2-SD 3.79Å; N522-M524 PolarHBondContact O-N 3.05Å; N522-M524 WeakPolarHBondContact OD1-CB 3.34Å; N522-M524 PolarHBondContact OD1-N 3.37Å; M524-D526 PolarHBondContact O-N 3.48Å |
| 525 | L | 55.3 | Low | 52.7 | Low | 132 Ų | 132 | 75.9 Ų | 75.9 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -19.3 | -173.2 | -82.7 | 164.6 | 0 | 0 | 0 | 114.9 | N522 | N522-L525 HydrophobicContact CB-CD1 3.96Å; N522-L525 VanDerWaalsContact ND2-CD1 3.32Å; N522-L525 WeakPolarHBondContact ND2-CD1 3.47Å |
| 526 | D | 46.1 | Very low | 53.1 | Low | 152 Ų | 152 | 73.8 Ų | 73.8 | 81% | 0.813 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | 15.4 | -172.2 | -73.8 | -39.3 | 0 | 0 | 0 | 115.5 | M524 | M524-D526 PolarHBondContact O-N 3.48Š|
| 527 | R | 45.6 | Very low | 54.2 | Low | 81 Ų | 81 | 75.1 Ų | 75.1 | 31% | 0.306 | 41% | 0.41 | S | S | . | . | trans | -88.4 | 123.7 | 179.9 | -74.7 | -171.2 | -176.9 | -166 | 14.3 | 112.4 | Q531 | R527-Q531 HydrophobicContact CB-CB 4.09Å; R527-Q531 HydrophobicContact CG-CB 3.86Å; R527-Q531 PolarHBondContact NH1-O 3.48Å | ||
| 528 | T | 37.5 | Very low | 55.2 | Low | 77 Ų | 77 | 76.6 Ų | 76.6 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | trans | -64.9 | 157 | 156.1 | 65.7 | 0 | 0 | 0 | 0 | 109.3 | D530 Q531 | T528-D530 PolarHBondContact O-N 3.38Å; T528-D530 PolarHBondContact OG1-OD2 2.95Å; T528-Q531 PolarHBondContact O-N 3.34Å | ||
| 529 | L | 39.3 | Very low | 56.8 | Low | 140 Ų | 140 | 74.9 Ų | 74.9 | 73% | 0.733 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -49.7 | -26.3 | -179.7 | -144.9 | 94.6 | 0 | 0 | 0 | 112.8 | ||
| 530 | D | 35.5 | Very low | 58.4 | Low | 112 Ų | 112 | 74.1 Ų | 74.1 | 60% | 0.599 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -78.1 | -16.6 | -175.7 | -32.2 | -55.3 | 0 | 0 | 0 | 113.8 | T528 V535 | T528-D530 PolarHBondContact O-N 3.38Å; T528-D530 PolarHBondContact OG1-OD2 2.95Å; D530-V535 WeakPolarHBondContact O-CG2 3.41Å |
| 531 | Q | 43 | Very low | 60.2 | Low | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -96.5 | 3.3 | -179.4 | -65.3 | -168.5 | -1.2 | 0 | 0 | 113.6 | R527 T528 | R527-Q531 HydrophobicContact CB-CB 4.09Å; R527-Q531 HydrophobicContact CG-CB 3.86Å; R527-Q531 PolarHBondContact NH1-O 3.48Å; T528-Q531 PolarHBondContact O-N 3.34Å |
| 532 | Q | 51.2 | Low | 61.9 | Low | 90 Ų | 90 | 78.1 Ų | 78.1 | 42% | 0.421 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -88.1 | 150.7 | 173.2 | -62.4 | 177.5 | 4.2 | 0 | 0 | 109.1 | T534 V535 | Q532-T534 WeakPolarHBondContact CB-OG1 3.46Å; Q532-T534 PolarHBondContact O-N 2.92Å; Q532-T534 PolarHBondContact O-OG1 3.29Å; Q532-V535 PolarHBondContact O-N 3.43Å; Q532-V535 VanDerWaalsContact O-N 3.15Å |
| 533 | C | 51 | Low | 63.5 | Low | 34 Ų | 34 | 79.3 Ų | 79.3 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 3.2 | -178.5 | -61.5 | 0 | 0 | 0 | 0 | 115.2 | D445 V535 T536 | D445-C533 HydrophobicContact CB-CB 4.36Å; D445-C533 VanDerWaalsContact CG-SG 3.56Å; D445-C533 VanDerWaalsContact OD1-CB 3.29Å; D445-C533 WeakPolarHBondContact OD1-CB 3.14Å; D445-C533 PolarHBondContact OD1-SG 2.88Å; C533-V535 PolarHBondContact O-N 3.06Å; C533-T536 PolarHBondContact O-OG1 3.2Å |
| 534 | T | 56.4 | Low | 65.2 | Low | 70 Ų | 70 | 77.4 Ų | 77.4 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.7 | 165.4 | 4.1 | 0 | 0 | 0 | 0 | 113.4 | Q532 T536 | Q532-T534 WeakPolarHBondContact CB-OG1 3.46Å; Q532-T534 PolarHBondContact O-N 2.92Å; Q532-T534 PolarHBondContact O-OG1 3.29Å; T534-T536 PolarHBondContact O-N 3.31Å |
| 535 | V | 65.5 | Low | 67 | Low | 63 Ų | 63 | 72.7 Ų | 72.7 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | trans | -100.1 | 55.3 | -178.6 | -157.7 | 0 | 0 | 0 | 0 | 111.2 | F471 D530 Q532 C533 | F471-V535 WeakPolarHBondContact CA-O 3.33Å; F471-V535 HydrophobicContact CD2-CG1 3.78Å; F471-V535 VanDerWaalsContact CD2-O 3.24Å; F471-V535 WeakPolarHBondContact CD2-O 3.45Å; F471-V535 HydrophobicContact CE2-CG1 3.92Å; D530-V535 WeakPolarHBondContact O-CG2 3.41Å; Q532-V535 PolarHBondContact O-N 3.43Å; Q532-V535 VanDerWaalsContact O-N 3.15Å; C533-V535 PolarHBondContact O-N 3.06Å | ||
| 536 | T | 75.9 | Confident | 68.9 | Low | 30 Ų | 30 | 67.6 Ų | 67.6 | 18% | 0.184 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 134 | 169.9 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | V469 G470 C533 T534 V540 | V469-T536 HydrophobicContact CB-CG2 4.09Å; V469-T536 HydrophobicContact CG2-CG2 4.17Å; G470-T536 WeakPolarHBondContact O-CG2 3.3Å; G470-T536 PolarHBondContact O-OG1 3.21Å; C533-T536 PolarHBondContact O-OG1 3.2Å; T534-T536 PolarHBondContact O-N 3.31Å; T536-V540 HydrophobicContact CG2-CB 3.69Å; T536-V540 HydrophobicContact CG2-CG1 3.95Å; T536-V540 HydrophobicContact CG2-CG2 4.42Å |
| 537 | R | 84.2 | Confident | 71.3 | Confident | 78 Ų | 78 | 62 Ų | 62 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 130.9 | 177.7 | -175.4 | 169.5 | 177.2 | -161.1 | 2.1 | 110.6 | F471 G539 V540 L589 A986 | F471-R537 WeakPolarHBondContact O-CB 3.33Å; F471-R537 PolarHBondContact O-N 3.38Å; R537-G539 PolarHBondContact O-N 2.87Å; R537-V540 HydrophobicContact CB-CG2 3.97Å; R537-V540 WeakPolarHBondContact O-CG2 3.27Å; R537-V540 PolarHBondContact O-N 3.44Å; R537-V540 VanDerWaalsContact O-N 3.14Å; R537-L589 HydrophobicContact CG-CD2 4.26Å; R537-A986 VanDerWaalsContact NH2-CB 3.25Å |
| 538 | P | 78.7 | Confident | 73.7 | Confident | 128 Ų | 128 | 58.1 Ų | 58.1 | 83% | 0.831 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 124.6 | 178.7 | -27.1 | 34.8 | 0 | 0 | 0 | 111.3 | ||
| 539 | G | 86.3 | Confident | 76.5 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.3 | -30.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R537 S541 L542 L543 | R537-G539 PolarHBondContact O-N 2.87Å; G539-S541 VanDerWaalsContact C-N 3.33Å; G539-S541 PolarHBondContact O-N 3.47Å; G539-L542 WeakPolarHBondContact O-CB 3.45Å; G539-L542 PolarHBondContact O-N 2.84Å; G539-L542 VanDerWaalsContact O-N 3.09Å; G539-L543 PolarHBondContact O-N 3.36Å |
| 540 | V | 89.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | -179.3 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | V469 S473 Y474 T536 R537 L542 L543 A544 L589 | V469-V540 HydrophobicContact CB-CG1 4.17Å; V469-V540 HydrophobicContact CG1-CG1 3.91Å; S473-V540 WeakPolarHBondContact O-CG1 3.42Å; Y474-V540 HydrophobicContact CD1-CG1 4.13Å; T536-V540 HydrophobicContact CG2-CB 3.69Å; T536-V540 HydrophobicContact CG2-CG1 3.95Å; T536-V540 HydrophobicContact CG2-CG2 4.42Å; R537-V540 HydrophobicContact CB-CG2 3.97Å; R537-V540 WeakPolarHBondContact O-CG2 3.27Å; R537-V540 PolarHBondContact O-N 3.44Å; R537-V540 VanDerWaalsContact O-N 3.14Å; V540-L542 VanDerWaalsContact C-N 3.29Å; V540-L542 PolarHBondContact O-N 2.95Å; V540-L543 PolarHBondContact O-N 3.43Å; V540-A544 WeakPolarHBondContact O-CB 3.25Å; V540-A544 PolarHBondContact O-N 3.42Å; V540-L589 HydrophobicContact CG2-CB 4.26Å; V540-L589 HydrophobicContact CG2-CD2 3.52Å |
| 541 | S | 91 | Very high | 81.9 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -29.3 | 178.1 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | T336 N340 G539 A545 | T336-S541 WeakPolarHBondContact CG2-OG 3.36Å; N340-S541 PolarHBondContact ND2-OG 2.8Å; G539-S541 VanDerWaalsContact C-N 3.33Å; G539-S541 PolarHBondContact O-N 3.47Å; S541-A545 WeakPolarHBondContact O-CB 3.45Å; S541-A545 PolarHBondContact O-N 3.39Å |
| 542 | L | 92.7 | Very high | 84.3 | Confident | 108 Ų | 108 | 41.2 Ų | 41.2 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -73.1 | -43.7 | 177 | -68.6 | 168.5 | 0 | 0 | 0 | 110.3 | N340 G539 V540 A545 G546 | N340-L542 HydrophobicContact CB-CD2 4.37Å; G539-L542 WeakPolarHBondContact O-CB 3.45Å; G539-L542 PolarHBondContact O-N 2.84Å; G539-L542 VanDerWaalsContact O-N 3.09Å; V540-L542 VanDerWaalsContact C-N 3.29Å; V540-L542 PolarHBondContact O-N 2.95Å; L542-A545 PolarHBondContact O-N 3.23Å; L542-G546 PolarHBondContact O-N 2.79Å |
| 543 | L | 93.1 | Very high | 86.4 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 40% | 0.398 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -49.4 | 174.1 | -69.2 | 171.4 | 0 | 0 | 0 | 111.2 | Y474 G539 V540 A545 G546 I547 L589 | Y474-L543 HydrophobicContact CE1-CB 4.08Å; Y474-L543 HydrophobicContact CE1-CD1 4.47Å; G539-L543 PolarHBondContact O-N 3.36Å; V540-L543 PolarHBondContact O-N 3.43Å; L543-A545 PolarHBondContact O-N 2.9Å; L543-G546 PolarHBondContact O-N 3.38Å; L543-I547 WeakPolarHBondContact O-CG1 3.48Å; L543-I547 PolarHBondContact O-N 3.47Å; L543-L589 HydrophobicContact CD1-CD1 4.08Å |
| 544 | A | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L337 V467 V469 Y474 V540 A548 | L337-A544 HydrophobicContact CD2-CB 4.05Å; V467-A544 HydrophobicContact CG1-CB 4.07Å; V469-A544 HydrophobicContact CG1-CB 3.98Å; Y474-A544 HydrophobicContact CD2-CB 4.16Å; Y474-A544 HydrophobicContact CG-CB 3.92Å; V540-A544 WeakPolarHBondContact O-CB 3.25Å; V540-A544 PolarHBondContact O-N 3.42Å; A544-A548 VanDerWaalsContact O-CB 3.23Å; A544-A548 WeakPolarHBondContact O-CB 3.25Å; A544-A548 PolarHBondContact O-N 2.98Å |
| 545 | A | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N340 I341 S541 L542 L543 A548 V549 | N340-A545 HydrophobicContact CB-CB 3.57Å; I341-A545 HydrophobicContact CG1-CB 3.59Å; S541-A545 WeakPolarHBondContact O-CB 3.45Å; S541-A545 PolarHBondContact O-N 3.39Å; L542-A545 PolarHBondContact O-N 3.23Å; L543-A545 PolarHBondContact O-N 2.9Å; A545-A548 PolarHBondContact O-N 3.25Å; A545-V549 WeakPolarHBondContact O-CG2 3.06Å; A545-V549 PolarHBondContact O-N 3.23Å; A545-V549 VanDerWaalsContact O-N 3.13Å |
| 546 | G | 95.3 | Very high | 91.4 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.9 | -53.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L542 L543 A548 V549 E550 | L542-G546 PolarHBondContact O-N 2.79Å; L543-G546 PolarHBondContact O-N 3.38Å; G546-A548 VanDerWaalsContact C-N 3.31Å; G546-A548 PolarHBondContact O-N 3.35Å; G546-V549 PolarHBondContact O-N 2.91Å; G546-E550 WeakPolarHBondContact O-CG 3.31Å; G546-E550 PolarHBondContact O-N 2.93Å |
| 547 | I | 95.2 | Very high | 92.2 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 17% | 0.174 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -36.5 | -178.8 | -64.4 | 165 | 0 | 0 | 0 | 111.7 | Y474 I476 L543 E550 L551 V585 | Y474-I547 HydrophobicContact CE2-CD1 3.66Å; Y474-I547 WeakPolarHBondContact OH-CD1 3.23Å; I476-I547 HydrophobicContact CD1-CB 4Å; I476-I547 HydrophobicContact CD1-CG2 3.78Å; I476-I547 HydrophobicContact CG1-CG2 4.33Å; L543-I547 WeakPolarHBondContact O-CG1 3.48Å; L543-I547 PolarHBondContact O-N 3.47Å; I547-E550 PolarHBondContact O-N 3.33Å; I547-L551 WeakPolarHBondContact O-CB 3.48Å; I547-L551 PolarHBondContact O-N 3.43Å; I547-V585 HydrophobicContact CG2-CB 4.25Å; I547-V585 HydrophobicContact CG2-CG1 4.12Å; I547-V585 HydrophobicContact CG2-CG2 4.32Å |
| 548 | A | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I341 F441 V467 I476 A544 A545 G546 M552 | I341-A548 HydrophobicContact CD1-CB 4.44Å; F441-A548 HydrophobicContact CE1-CB 4.28Å; V467-A548 HydrophobicContact CG1-CB 4.47Å; V467-A548 HydrophobicContact CG2-CB 3.55Å; I476-A548 HydrophobicContact CG1-CB 4.04Å; I476-A548 HydrophobicContact CG2-CB 3.99Å; A544-A548 VanDerWaalsContact O-CB 3.23Å; A544-A548 WeakPolarHBondContact O-CB 3.25Å; A544-A548 PolarHBondContact O-N 2.98Å; A545-A548 PolarHBondContact O-N 3.25Å; G546-A548 VanDerWaalsContact C-N 3.31Å; G546-A548 PolarHBondContact O-N 3.35Å; A548-M552 WeakPolarHBondContact O-CB 3.35Å; A548-M552 PolarHBondContact O-N 3.21Å; A548-M552 VanDerWaalsContact O-N 3.08Å |
| 549 | V | 96.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.3 | -35.2 | 178.3 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | I341 C344 L345 W348 A545 G546 M552 A553 | I341-V549 HydrophobicContact CG2-CG2 4Å; C344-V549 HydrophobicContact CB-CB 3.97Å; C344-V549 HydrophobicContact CB-CG1 4.17Å; C344-V549 HydrophobicContact CB-CG2 3.64Å; L345-V549 HydrophobicContact CD2-CG1 4.02Å; L345-V549 HydrophobicContact CD2-CG2 3.87Å; L345-V549 HydrophobicContact CG-CG2 4.09Å; W348-V549 VanDerWaalsContact CD1-CG1 3.46Å; W348-V549 HydrophobicContact CG-CG1 4.31Å; A545-V549 WeakPolarHBondContact O-CG2 3.06Å; A545-V549 PolarHBondContact O-N 3.23Å; A545-V549 VanDerWaalsContact O-N 3.13Å; G546-V549 PolarHBondContact O-N 2.91Å; V549-M552 HydrophobicContact CG1-CE 4.06Å; V549-M552 WeakPolarHBondContact O-CB 3.32Å; V549-M552 PolarHBondContact O-N 2.89Å; V549-A553 PolarHBondContact O-N 3.26Å |
| 550 | E | 94.1 | Very high | 93 | Very high | 81 Ų | 81 | 30.5 Ų | 30.5 | 38% | 0.379 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 171.7 | -72.1 | -56.4 | 136.1 | 0 | 0 | 111.6 | W348 G546 I547 M552 A553 S554 | W348-E550 WeakPolarHBondContact CZ2-OE1 3.29Å; W348-E550 PolarHBondContact NE1-OE1 2.87Å; G546-E550 WeakPolarHBondContact O-CG 3.31Å; G546-E550 PolarHBondContact O-N 2.93Å; I547-E550 PolarHBondContact O-N 3.33Å; E550-M552 VanDerWaalsContact C-N 3.26Å; E550-M552 PolarHBondContact O-N 3.38Å; E550-A553 WeakPolarHBondContact O-CB 3.44Å; E550-A553 PolarHBondContact O-N 3.39Å; E550-A553 VanDerWaalsContact O-N 3.09Å; E550-S554 PolarHBondContact O-N 2.93Å; E550-S554 PolarHBondContact O-OG 2.94Å |
| 551 | L | 93.9 | Very high | 93 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 176.4 | -177.7 | 60.2 | 0 | 0 | 0 | 111.8 | F465 I476 I547 C555 V581 P582 | F465-L551 HydrophobicContact CD1-CD2 4.34Å; F465-L551 HydrophobicContact CE1-CB 4.39Å; F465-L551 HydrophobicContact CE1-CD2 3.9Å; F465-L551 HydrophobicContact CE1-CG 3.88Å; I476-L551 HydrophobicContact CG2-CD2 3.87Å; I547-L551 WeakPolarHBondContact O-CB 3.48Å; I547-L551 PolarHBondContact O-N 3.43Å; L551-C555 WeakPolarHBondContact O-CB 2.97Å; L551-C555 PolarHBondContact O-N 3.38Å; L551-C555 PolarHBondContact O-SG 2.76Å; L551-V581 HydrophobicContact CD1-CG1 4.27Å; L551-P582 HydrophobicContact CD1-CG 3.78Å |
| 552 | M | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 172.7 | 178.5 | -146.5 | 72.4 | 0 | 0 | 111.4 | L345 I350 I439 F441 F465 A548 V549 E550 C555 L556 | L345-M552 HydrophobicContact CD2-CE 3.9Å; L345-M552 HydrophobicContact CD2-SD 3.52Å; L345-M552 VanDerWaalsContact CD2-SD 3.52Å; I350-M552 HydrophobicContact CD1-CE 3.54Å; I350-M552 HydrophobicContact CD1-SD 3.99Å; I439-M552 HydrophobicContact CD1-CG 3.36Å; I439-M552 HydrophobicContact CD1-SD 3.78Å; I439-M552 HydrophobicContact CG2-CG 4.2Å; I439-M552 HydrophobicContact CG2-SD 4.45Å; F441-M552 HydrophobicContact CE2-SD 4.05Å; F441-M552 HydrophobicContact CZ-CB 4.21Å; F441-M552 HydrophobicContact CZ-CG 4.26Å; F441-M552 HydrophobicContact CZ-SD 3.94Å; F465-M552 HydrophobicContact CE2-CB 3.98Å; F465-M552 HydrophobicContact CE2-CG 4.08Å; F465-M552 HydrophobicContact CZ-CB 3.95Å; F465-M552 HydrophobicContact CZ-CG 4.45Å; A548-M552 WeakPolarHBondContact O-CB 3.35Å; A548-M552 PolarHBondContact O-N 3.21Å; A548-M552 VanDerWaalsContact O-N 3.08Å; V549-M552 HydrophobicContact CG1-CE 4.06Å; V549-M552 WeakPolarHBondContact O-CB 3.32Å; V549-M552 PolarHBondContact O-N 2.89Å; E550-M552 VanDerWaalsContact C-N 3.26Å; E550-M552 PolarHBondContact O-N 3.38Å; M552-C555 WeakPolarHBondContact O-CB 3.46Å; M552-C555 PolarHBondContact O-N 2.94Å; M552-L556 HydrophobicContact CE-CD1 4.28Å; M552-L556 HydrophobicContact CG-CD1 4.46Å; M552-L556 WeakPolarHBondContact O-CG 3.14Å; M552-L556 PolarHBondContact O-N 2.88Å |
| 553 | A | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I324 W348 V549 E550 C555 L556 Q557 L578 | I324-A553 HydrophobicContact CD1-CB 4.31Å; W348-A553 HydrophobicContact CD2-CB 4.38Å; W348-A553 HydrophobicContact CH2-CB 4.34Å; W348-A553 HydrophobicContact CZ2-CB 4.08Å; V549-A553 PolarHBondContact O-N 3.26Å; E550-A553 WeakPolarHBondContact O-CB 3.44Å; E550-A553 PolarHBondContact O-N 3.39Å; E550-A553 VanDerWaalsContact O-N 3.09Å; A553-C555 VanDerWaalsContact C-N 3.32Å; A553-C555 PolarHBondContact O-N 3.49Å; A553-L556 PolarHBondContact O-N 3.16Å; A553-L556 VanDerWaalsContact O-N 3.07Å; A553-Q557 WeakPolarHBondContact O-CG 3.45Å; A553-Q557 PolarHBondContact O-N 2.93Å; A553-L578 HydrophobicContact CB-CD1 3.61Å |
| 554 | S | 92.7 | Very high | 92.3 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -40.5 | 174.4 | -57 | 0 | 0 | 0 | 0 | 112.2 | E550 L556 Q557 H558 T576 L578 | E550-S554 PolarHBondContact O-N 2.93Å; E550-S554 PolarHBondContact O-OG 2.94Å; S554-L556 VanDerWaalsContact C-N 3.33Å; S554-L556 PolarHBondContact O-N 2.97Å; S554-Q557 PolarHBondContact O-N 3.27Å; S554-H558 PolarHBondContact O-N 2.95Å; S554-T576 WeakPolarHBondContact O-CG2 3.46Å; S554-L578 VanDerWaalsContact OG-CB 3.23Å; S554-L578 WeakPolarHBondContact OG-CB 3.4Å |
| 555 | C | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 173.6 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | L463 R478 L551 M552 A553 H558 K561 V581 | L463-C555 HydrophobicContact CD2-CB 4.19Å; R478-C555 VanDerWaalsContact CD-SG 3.58Å; L551-C555 WeakPolarHBondContact O-CB 2.97Å; L551-C555 PolarHBondContact O-N 3.38Å; L551-C555 PolarHBondContact O-SG 2.76Å; M552-C555 WeakPolarHBondContact O-CB 3.46Å; M552-C555 PolarHBondContact O-N 2.94Å; A553-C555 VanDerWaalsContact C-N 3.32Å; A553-C555 PolarHBondContact O-N 3.49Å; C555-H558 PolarHBondContact O-N 2.81Å; C555-K561 CarbonylContact O-C 3.57Å; C555-K561 WeakPolarHBondContact O-CA 3.45Å; C555-V581 WeakPolarHBondContact SG-CG1 3.43Å |
| 556 | L | 93.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.3 | -32.5 | -179 | -69.8 | 169 | 0 | 0 | 0 | 113.6 | I324 V327 I439 M552 A553 S554 H558 | I324-L556 HydrophobicContact CG1-CD1 4.4Å; V327-L556 HydrophobicContact CG2-CD1 3.8Å; V327-L556 HydrophobicContact CG2-CD2 3.88Å; I439-L556 HydrophobicContact CD1-CD1 4.08Å; I439-L556 HydrophobicContact CD1-CD2 4.23Å; I439-L556 HydrophobicContact CD1-CG 4.29Å; M552-L556 HydrophobicContact CE-CD1 4.28Å; M552-L556 HydrophobicContact CG-CD1 4.46Å; M552-L556 WeakPolarHBondContact O-CG 3.14Å; M552-L556 PolarHBondContact O-N 2.88Å; A553-L556 PolarHBondContact O-N 3.16Å; A553-L556 VanDerWaalsContact O-N 3.07Å; S554-L556 VanDerWaalsContact C-N 3.33Å; S554-L556 PolarHBondContact O-N 2.97Å; L556-H558 VanDerWaalsContact C-N 3.29Å |
| 557 | Q | 92.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.8 | -19.3 | 175.6 | -65.7 | -57.6 | -59.5 | 0 | 0 | 113.1 | L319 D320 T323 A553 S554 T576 L578 | L319-Q557 HydrophobicContact CD1-CG 4.07Å; D320-Q557 PolarHBondContact O-NE2 3.27Å; T323-Q557 PolarHBondContact OG1-NE2 2.91Å; A553-Q557 WeakPolarHBondContact O-CG 3.45Å; A553-Q557 PolarHBondContact O-N 2.93Å; S554-Q557 PolarHBondContact O-N 3.27Å; Q557-T576 HydrophobicContact CB-CG2 4.36Å; Q557-L578 HydrophobicContact CG-CD1 3.74Å; Q557-L578 HydrophobicContact CG-CG 4.37Å |
| 558 | H | 91.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -73.8 | 139.2 | 178.1 | -169 | -86.5 | 0 | 0 | 0 | 110.8 | S554 C555 L556 L560 K561 A564 T576 | S554-H558 PolarHBondContact O-N 2.95Å; C555-H558 PolarHBondContact O-N 2.81Å; L556-H558 VanDerWaalsContact C-N 3.29Å; H558-L560 WeakPolarHBondContact ND1-CB 3.38Å; H558-L560 PolarHBondContact ND1-N 3.45Å; H558-L560 PolarHBondContact O-N 2.79Å; H558-L560 VanDerWaalsContact O-N 3.11Å; H558-K561 WeakPolarHBondContact O-CA 2.95Å; H558-K561 PolarHBondContact O-N 2.86Å; H558-A564 HydrophobicContact CB-CB 3.95Å; H558-A564 WeakPolarHBondContact ND1-CB 3.32Å; H558-T576 HydrophobicContact CB-CG2 3.59Å |
| 559 | P | 88.1 | Confident | 87.2 | Confident | 121 Ų | 121 | 35.7 Ų | 35.7 | 79% | 0.786 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34.1 | 179.8 | -28 | 34.7 | 0 | 0 | 0 | 114.5 | K561 | P559-K561 VanDerWaalsContact C-N 3.35Š|
| 560 | L | 88.4 | Confident | 85.3 | Confident | 102 Ų | 102 | 44 Ų | 44 | 53% | 0.534 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1 | 176.6 | -56.8 | 179.3 | 0 | 0 | 0 | 114.3 | H558 G562 M563 | H558-L560 WeakPolarHBondContact ND1-CB 3.38Å; H558-L560 PolarHBondContact ND1-N 3.45Å; H558-L560 PolarHBondContact O-N 2.79Å; H558-L560 VanDerWaalsContact O-N 3.11Å; L560-G562 PolarHBondContact O-N 3.07Å; L560-M563 HydrophobicContact CB-CB 4.19Å; L560-M563 WeakPolarHBondContact O-CA 3.38Å; L560-M563 WeakPolarHBondContact O-CB 3.34Å; L560-M563 PolarHBondContact O-N 3.21Å |
| 561 | K | 88.6 | Confident | 83.4 | Confident | 117 Ų | 117 | 42.3 Ų | 42.3 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | 50.3 | -126.9 | -178.1 | -59 | -174.4 | 179 | -175 | 0 | 112.5 | C555 H558 P559 M563 A564 | C555-K561 CarbonylContact O-C 3.57Å; C555-K561 WeakPolarHBondContact O-CA 3.45Å; H558-K561 WeakPolarHBondContact O-CA 2.95Å; H558-K561 PolarHBondContact O-N 2.86Å; P559-K561 VanDerWaalsContact C-N 3.35Å; K561-M563 PolarHBondContact O-N 3.31Å; K561-M563 VanDerWaalsContact O-N 3.11Å; K561-A564 VanDerWaalsContact O-CB 3.27Å; K561-A564 WeakPolarHBondContact O-CB 3.1Å; K561-A564 PolarHBondContact O-N 3.25Å |
| 562 | G | 84.7 | Confident | 81.8 | Confident | 9 Ų | 9 | 48 Ų | 48 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -62.6 | -15.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L560 A564 | L560-G562 PolarHBondContact O-N 3.07Å; G562-A564 VanDerWaalsContact C-N 3.29Å |
| 563 | M | 88.7 | Confident | 80 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -87.2 | 5.6 | 174.7 | -61.8 | -73.7 | -72.3 | 0 | 0 | 113 | I481 N507 L560 K561 | I481-M563 HydrophobicContact CB-SD 3.77Å; I481-M563 HydrophobicContact CG2-SD 4.05Å; N507-M563 HydrophobicContact CB-CE 3.82Å; N507-M563 HydrophobicContact CB-SD 4.4Å; L560-M563 HydrophobicContact CB-CB 4.19Å; L560-M563 WeakPolarHBondContact O-CA 3.38Å; L560-M563 WeakPolarHBondContact O-CB 3.34Å; L560-M563 PolarHBondContact O-N 3.21Å; K561-M563 PolarHBondContact O-N 3.31Å; K561-M563 VanDerWaalsContact O-N 3.11Å |
| 564 | A | 89.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -54.3 | 133.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R478 H558 K561 G562 V581 | R478-A564 VanDerWaalsContact CZ-O 3.31Å; R478-A564 PolarHBondContact NH1-O 3.31Å; R478-A564 PolarHBondContact NH2-O 2.84Å; H558-A564 HydrophobicContact CB-CB 3.95Å; H558-A564 WeakPolarHBondContact ND1-CB 3.32Å; K561-A564 VanDerWaalsContact O-CB 3.27Å; K561-A564 WeakPolarHBondContact O-CB 3.1Å; K561-A564 PolarHBondContact O-N 3.25Å; G562-A564 VanDerWaalsContact C-N 3.29Å; A564-V581 HydrophobicContact CB-CB 4.47Å; A564-V581 HydrophobicContact CB-CG1 4.12Å | ||
| 565 | P | 88.2 | Confident | 77.7 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 8% | 0.078 | 33% | 0.325 | C | S | . | . | trans | -66 | 160.4 | 177.6 | 30.2 | -35.7 | 0 | 0 | 0 | 111.5 | R478 K503 I504 H574 | R478-P565 PolarHBondContact NH2-O 2.93Å; K503-P565 HydrophobicContact CD-CB 4.33Å; K503-P565 VanDerWaalsContact CE-CB 3.48Å; K503-P565 HydrophobicContact CG-CB 3.96Å; I504-P565 CarbonylContact O-C 3.37Å; I504-P565 VanDerWaalsContact O-CA 3.25Å; I504-P565 WeakPolarHBondContact O-CA 3.08Å; I504-P565 WeakPolarHBondContact O-CB 3.08Å; P565-H574 HydrophobicContact CG-CB 4.3Å | ||
| 566 | A | 86 | Confident | 77.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I504 L509 H583 A598 | I504-A566 PolarHBondContact N-O 2.79Å; I504-A566 PolarHBondContact O-N 2.86Å; L509-A566 HydrophobicContact CD2-CB 3.8Å; A566-H583 HydrophobicContact CB-CB 3.65Å; A566-A598 HydrophobicContact CB-CB 3.95Å |
| 567 | E | 74.4 | Confident | 77 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 143 | 176.5 | -63.3 | -172.1 | 163.6 | 0 | 0 | 110.1 | S502 K503 S571 T573 H574 | S502-E567 VanDerWaalsContact O-CA 3.26Å; S502-E567 WeakPolarHBondContact O-CA 3.35Å; K503-E567 HydrophobicContact CB-CG 4.42Å; K503-E567 HydrophobicContact CG-CG 4.36Å; E567-S571 PolarHBondContact OE2-OG 3.41Å; E567-T573 PolarHBondContact OE1-OG1 3.27Å; E567-T573 PolarHBondContact OE2-OG1 3.09Å; E567-T573 VanDerWaalsContact OE2-OG1 3.09Å; E567-H574 IonicContact OE1-CD2 3.63Å; E567-H574 PolarHBondContact OE1-CD2 3.46Å; E567-H574 IonicContact OE1-CG 3.27Å; E567-H574 IonicContact OE1-NE2 2.98Å |
| 568 | T | 63.3 | Low | 76.8 | Confident | 76 Ų | 76 | 59.5 Ų | 59.5 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -94.2 | -15 | 175.9 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | V501 S502 A598 | V501-T568 PolarHBondContact O-OG1 2.83Å; S502-T568 WeakPolarHBondContact CA-OG1 3.47Å; S502-T568 PolarHBondContact O-N 2.9Å; S502-T568 VanDerWaalsContact O-N 3.08Å; S502-T568 PolarHBondContact O-OG1 2.84Å; T568-A598 HydrophobicContact CG2-CB 3.85Å |
| 569 | S | 57.2 | Low | 76.5 | Confident | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -92.9 | 154 | 174.4 | 46.6 | 0 | 0 | 0 | 0 | 111.9 | S571 | S569-S571 PolarHBondContact O-N 2.78Å; S569-S571 PolarHBondContact OG-OG 2.81Å |
| 570 | D | 56.1 | Low | 76.3 | Confident | 176 Ų | 176 | 57.1 Ų | 57.1 | 94% | 0.941 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -67.1 | 27.8 | 173.6 | -68.5 | -31 | 0 | 0 | 0 | 113.6 | ||
| 571 | S | 53.5 | Low | 76.4 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | trans | -83.7 | 123.6 | 179.4 | 47.7 | 0 | 0 | 0 | 0 | 110.9 | E567 S569 T573 | E567-S571 PolarHBondContact OE2-OG 3.41Å; S569-S571 PolarHBondContact O-N 2.78Å; S569-S571 PolarHBondContact OG-OG 2.81Å; S571-T573 WeakPolarHBondContact CB-OG1 3.24Å; S571-T573 PolarHBondContact O-N 2.9Å | ||
| 572 | D | 60.1 | Low | 76.4 | Confident | 129 Ų | 129 | 48 Ų | 48 | 69% | 0.69 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -78.6 | 12.8 | 175.7 | -74.8 | -32.9 | 0 | 0 | 0 | 113.2 | H574 A575 | D572-H574 PolarHBondContact O-N 3.41Å; D572-H574 VanDerWaalsContact O-N 3.09Å; D572-A575 HydrophobicContact CB-CB 4.25Å; D572-A575 WeakPolarHBondContact O-CB 3.28Å; D572-A575 PolarHBondContact O-N 3.43Å; D572-A575 VanDerWaalsContact O-N 3.09Å |
| 573 | T | 57.6 | Low | 76.8 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.1 | -24.9 | -170.7 | 17.7 | 0 | 0 | 0 | 0 | 114.7 | E567 S571 | E567-T573 PolarHBondContact OE1-OG1 3.27Å; E567-T573 PolarHBondContact OE2-OG1 3.09Å; E567-T573 VanDerWaalsContact OE2-OG1 3.09Å; S571-T573 WeakPolarHBondContact CB-OG1 3.24Å; S571-T573 PolarHBondContact O-N 2.9Å |
| 574 | H | 65.2 | Low | 76.9 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 31% | 0.306 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -124.5 | 22.3 | 176.8 | -63.1 | -39.2 | 0 | 0 | 0 | 112.8 | K503 P565 E567 D572 | K503-H574 PolarHBondContact NZ-NE2 3.11Å; P565-H574 HydrophobicContact CG-CB 4.3Å; E567-H574 IonicContact OE1-CD2 3.63Å; E567-H574 PolarHBondContact OE1-CD2 3.46Å; E567-H574 IonicContact OE1-CG 3.27Å; E567-H574 IonicContact OE1-NE2 2.98Å; D572-H574 PolarHBondContact O-N 3.41Å; D572-H574 VanDerWaalsContact O-N 3.09Å |
| 575 | A | 73.4 | Confident | 77 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | trans | -64.3 | 145 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D572 | D572-A575 HydrophobicContact CB-CB 4.25Å; D572-A575 WeakPolarHBondContact O-CB 3.28Å; D572-A575 PolarHBondContact O-N 3.43Å; D572-A575 VanDerWaalsContact O-N 3.09Å | ||
| 576 | T | 85.5 | Confident | 77.2 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -90 | 179.7 | 169.2 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | S554 Q557 H558 L578 G579 V581 | S554-T576 WeakPolarHBondContact O-CG2 3.46Å; Q557-T576 HydrophobicContact CB-CG2 4.36Å; H558-T576 HydrophobicContact CB-CG2 3.59Å; T576-L578 PolarHBondContact O-N 3.01Å; T576-L578 VanDerWaalsContact O-N 3.13Å; T576-L578 PolarHBondContact OG1-N 2.76Å; T576-G579 PolarHBondContact N-O 2.94Å; T576-G579 PolarHBondContact O-N 2.66Å; T576-G579 PolarHBondContact OG1-O 2.9Å; T576-V581 HydrophobicContact CG2-CG2 3.74Å |
| 577 | C | 84.9 | Confident | 77.4 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.5 | 169.8 | 61 | 0 | 0 | 0 | 0 | 112.4 | M316 E318 | M316-C577 WeakPolarHBondContact CE-O 3.45Å; M316-C577 HydrophobicContact CG-CB 3.74Å; M316-C577 HydrophobicContact SD-CB 3.75Å; E318-C577 HydrophobicContact CB-CB 3.89Å |
| 578 | L | 88 | Confident | 78.1 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7.3 | 175.3 | -65.2 | 169.6 | 0 | 0 | 0 | 113.8 | M316 L319 W348 A553 S554 Q557 T576 | M316-L578 HydrophobicContact CE-CD2 3.76Å; M316-L578 HydrophobicContact SD-CD2 3.43Å; M316-L578 WeakPolarHBondContact SD-CD2 3.37Å; M316-L578 HydrophobicContact SD-CG 3.85Å; L319-L578 HydrophobicContact CD1-CD1 4.11Å; L319-L578 HydrophobicContact CD1-CD2 4.25Å; L319-L578 HydrophobicContact CD1-CG 4.2Å; W348-L578 HydrophobicContact CH2-CD1 4.09Å; W348-L578 HydrophobicContact CH2-CD2 3.93Å; W348-L578 HydrophobicContact CZ2-CD2 4.37Å; A553-L578 HydrophobicContact CB-CD1 3.61Å; S554-L578 VanDerWaalsContact OG-CB 3.23Å; S554-L578 WeakPolarHBondContact OG-CB 3.4Å; Q557-L578 HydrophobicContact CG-CD1 3.74Å; Q557-L578 HydrophobicContact CG-CG 4.37Å; T576-L578 PolarHBondContact O-N 3.01Å; T576-L578 VanDerWaalsContact O-N 3.13Å; T576-L578 PolarHBondContact OG1-N 2.76Å |
| 579 | G | 85.1 | Confident | 79.1 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | 94.2 | -161 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | T576 | T576-G579 PolarHBondContact N-O 2.94Å; T576-G579 PolarHBondContact O-N 2.66Å; T576-G579 PolarHBondContact OG1-O 2.9Å |
| 580 | A | 84.9 | Confident | 80.3 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 51% | 0.512 | 29% | 0.285 | S | S | . | . | trans | -61.6 | 153.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P582 | A580-P582 WeakPolarHBondContact O-CD 3.5Š| ||
| 581 | V | 89.5 | Confident | 81.6 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | trans | -112.7 | 73.1 | 177.4 | -163.3 | 0 | 0 | 0 | 0 | 110.1 | R478 L551 C555 A564 T576 | R478-V581 PolarHBondContact NH2-O 3.03Å; L551-V581 HydrophobicContact CD1-CG1 4.27Å; C555-V581 WeakPolarHBondContact SG-CG1 3.43Å; A564-V581 HydrophobicContact CB-CB 4.47Å; A564-V581 HydrophobicContact CB-CG1 4.12Å; T576-V581 HydrophobicContact CG2-CG2 3.74Å | ||
| 582 | P | 89.8 | Confident | 83.1 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | trans | -64 | 160.2 | -177.6 | 27.5 | -36.8 | 0 | 0 | 0 | 112.5 | R478 L551 A580 V585 | R478-P582 WeakPolarHBondContact CD-O 3.49Å; R478-P582 PolarHBondContact NE-O 3.27Å; L551-P582 HydrophobicContact CD1-CG 3.78Å; A580-P582 WeakPolarHBondContact O-CD 3.5Å; P582-V585 HydrophobicContact CB-CG2 4.19Å; P582-V585 HydrophobicContact CG-CG2 3.58Å | ||
| 583 | H | 91.9 | Very high | 84.4 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -77.8 | -51.7 | 172.7 | 166.8 | -125.1 | 0 | 0 | 0 | 111.7 | L477 R478 L509 A510 A566 L597 A598 V599 | L477-H583 WeakPolarHBondContact CD1-CE1 3.35Å; L477-H583 VanDerWaalsContact CD1-NE2 3.27Å; L477-H583 WeakPolarHBondContact CD1-NE2 3.41Å; R478-H583 PolarHBondContact N-O 3.29Å; R478-H583 PolarHBondContact O-CD2 2.99Å; R478-H583 PolarHBondContact O-NE2 2.74Å; L509-H583 HydrophobicContact CD2-CB 3.88Å; A510-H583 PolarHBondContact N-NE2 2.69Å; A510-H583 PolarHBondContact O-NE2 3.13Å; A566-H583 HydrophobicContact CB-CB 3.65Å; H583-L597 WeakPolarHBondContact CB-O 3.24Å; H583-A598 HydrophobicContact CB-CB 3.89Å; H583-V599 PolarHBondContact ND1-N 3.09Å; H583-V599 VanDerWaalsContact ND1-N 3.17Å |
| 584 | Q | 91.1 | Very high | 85.9 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146.3 | 171 | 49.2 | 175.4 | -28.4 | 0 | 0 | 111.6 | L475 I476 L477 R586 S596 L597 | L475-Q584 HydrophobicContact CD1-CB 4.14Å; I476-Q584 CarbonylContact O-C 3.54Å; I476-Q584 WeakPolarHBondContact O-CA 3.46Å; I476-Q584 VanDerWaalsContact O-CB 3.29Å; I476-Q584 WeakPolarHBondContact O-CB 3.36Å; L477-Q584 HydrophobicContact CB-CB 4.28Å; L477-Q584 HydrophobicContact CD1-CB 3.71Å; L477-Q584 HydrophobicContact CD1-CG 4.28Å; Q584-R586 VanDerWaalsContact OE1-NH2 3.16Å; Q584-S596 VanDerWaalsContact O-CA 3.3Å; Q584-S596 WeakPolarHBondContact O-CA 3.48Å; Q584-L597 HydrophobicContact CG-CB 3.71Å; Q584-L597 WeakPolarHBondContact CG-O 3.37Å; Q584-L597 PolarHBondContact N-O 2.73Å; Q584-L597 PolarHBondContact O-N 2.99Å |
| 585 | V | 92 | Very high | 86.9 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.6 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 108 | Y474 I476 I547 P582 | Y474-V585 HydrophobicContact CE2-CG1 4.5Å; I476-V585 HydrophobicContact CB-CB 4.46Å; I476-V585 HydrophobicContact CD1-CB 4.29Å; I476-V585 PolarHBondContact N-O 3.01Å; I476-V585 PolarHBondContact O-N 3.24Å; I547-V585 HydrophobicContact CG2-CB 4.25Å; I547-V585 HydrophobicContact CG2-CG1 4.12Å; I547-V585 HydrophobicContact CG2-CG2 4.32Å; P582-V585 HydrophobicContact CB-CG2 4.19Å; P582-V585 HydrophobicContact CG-CG2 3.58Å |
| 586 | R | 91.7 | Very high | 87.5 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.3 | 173.9 | -66.1 | -172.6 | -177.2 | -160.9 | -2 | 109.4 | Y474 L475 Q584 Y588 Q594 V595 | Y474-R586 WeakPolarHBondContact O-CA 3.39Å; L475-R586 HydrophobicContact CD1-CG 3.72Å; Q584-R586 VanDerWaalsContact OE1-NH2 3.16Å; R586-Y588 HydrophobicContact CB-CE2 4.09Å; R586-Q594 CarbonylContact O-C 3.52Å; R586-Q594 WeakPolarHBondContact O-CA 3.47Å; R586-V595 PolarHBondContact N-O 3.18Å; R586-V595 PolarHBondContact O-N 3.02Å |
| 587 | G | 90 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S473 Y474 E593 | S473-G587 CarbonylContact C-O 3.6Å; S473-G587 WeakPolarHBondContact CA-O 3.24Å; S473-G587 WeakPolarHBondContact CB-O 3.4Å; Y474-G587 VanDerWaalsContact CZ-CA 3.47Å; Y474-G587 PolarHBondContact N-O 2.84Å; Y474-G587 PolarHBondContact O-N 3.17Å; G587-E593 CarbonylContact C-O 3.55Å; G587-E593 WeakPolarHBondContact CA-O 3.5Å |
| 588 | Y | 90.1 | Very high | 87.5 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 29% | 0.29 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 102.4 | 178.4 | -59.1 | -85.9 | 0 | 0 | 0 | 109 | R586 S590 R591 Y592 E593 | R586-Y588 HydrophobicContact CB-CE2 4.09Å; Y588-S590 VanDerWaalsContact C-N 3.27Å; Y588-S590 PolarHBondContact O-N 2.7Å; Y588-R591 CarbonylContact O-C 3.32Å; Y588-R591 PolarHBondContact O-N 3.13Å; Y588-R591 VanDerWaalsContact O-N 3.12Å; Y588-Y592 PolarHBondContact O-N 3.46Å; Y588-E593 PolarHBondContact N-O 2.74Å; Y588-E593 PolarHBondContact O-N 3.49Å |
| 589 | L | 84.8 | Confident | 87.3 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.1 | -175.3 | -172.9 | 60.8 | 0 | 0 | 0 | 112.7 | D472 R537 V540 L543 R591 Y592 | D472-L589 VanDerWaalsContact O-CB 3.22Å; D472-L589 WeakPolarHBondContact O-CB 3.34Å; D472-L589 PolarHBondContact O-N 3.35Å; R537-L589 HydrophobicContact CG-CD2 4.26Å; V540-L589 HydrophobicContact CG2-CB 4.26Å; V540-L589 HydrophobicContact CG2-CD2 3.52Å; L543-L589 HydrophobicContact CD1-CD1 4.08Å; L589-R591 VanDerWaalsContact C-N 3.3Å; L589-Y592 HydrophobicContact CD1-CE1 4.36Å |
| 590 | S | 81 | Confident | 87.4 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -28.8 | 172.7 | 45.6 | 0 | 0 | 0 | 0 | 113.2 | D472 Y588 | D472-S590 WeakPolarHBondContact OD2-CB 3.26Å; D472-S590 PolarHBondContact OD2-OG 2.99Å; Y588-S590 VanDerWaalsContact C-N 3.27Å; Y588-S590 PolarHBondContact O-N 2.7Å |
| 591 | R | 83.8 | Confident | 87.6 | Confident | 180 Ų | 180 | 58.8 Ų | 58.8 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -8.9 | -179.4 | -60.2 | -178 | -175.9 | -179.3 | 0.2 | 113.6 | Y588 L589 E593 | Y588-R591 CarbonylContact O-C 3.32Å; Y588-R591 PolarHBondContact O-N 3.13Å; Y588-R591 VanDerWaalsContact O-N 3.12Å; L589-R591 VanDerWaalsContact C-N 3.3Å; R591-E593 HydrophobicContact CB-CB 3.83Å; R591-E593 WeakPolarHBondContact CD-OE2 3.34Å; R591-E593 PolarHBondContact O-N 3.3Å |
| 592 | Y | 84.8 | Confident | 87.4 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 64% | 0.639 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 35.5 | -168.5 | -65.7 | -90.5 | 0 | 0 | 0 | 112.4 | Y588 L589 | Y588-Y592 PolarHBondContact O-N 3.46Å; L589-Y592 HydrophobicContact CD1-CE1 4.36Å |
| 593 | E | 88 | Confident | 87.2 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 140.4 | -172.5 | -172.6 | -178.6 | -176.5 | 0 | 0 | 110.2 | G587 Y588 R591 V595 | G587-E593 CarbonylContact C-O 3.55Å; G587-E593 WeakPolarHBondContact CA-O 3.5Å; Y588-E593 PolarHBondContact N-O 2.74Å; Y588-E593 PolarHBondContact O-N 3.49Å; R591-E593 HydrophobicContact CB-CB 3.83Å; R591-E593 WeakPolarHBondContact CD-OE2 3.34Å; R591-E593 PolarHBondContact O-N 3.3Å; E593-V595 HydrophobicContact CG-CG2 4.07Å |
| 594 | Q | 87.8 | Confident | 87 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.8 | 169.6 | -61.5 | -174.3 | 28.9 | 0 | 0 | 108.8 | Y474 R586 | Y474-Q594 WeakPolarHBondContact OH-CG 3.37Å; Y474-Q594 PolarHBondContact OH-NE2 2.85Å; Y474-Q594 VanDerWaalsContact OH-NE2 3.17Å; R586-Q594 CarbonylContact O-C 3.52Å; R586-Q594 WeakPolarHBondContact O-CA 3.47Å |
| 595 | V | 86.8 | Confident | 86.8 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.6 | -178.7 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | R586 E593 L597 | R586-V595 PolarHBondContact N-O 3.18Å; R586-V595 PolarHBondContact O-N 3.02Å; E593-V595 HydrophobicContact CG-CG2 4.07Å; V595-L597 HydrophobicContact CG1-CD2 3.74Å; V595-L597 HydrophobicContact CG1-CG 3.94Å |
| 596 | S | 86.5 | Confident | 86.7 | Confident | 78 Ų | 78 | 65 Ų | 65 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.7 | 169.1 | -66.5 | 0 | 0 | 0 | 0 | 108.8 | Q584 | Q584-S596 VanDerWaalsContact O-CA 3.3Å; Q584-S596 WeakPolarHBondContact O-CA 3.48Å |
| 597 | L | 83.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 38% | 0.377 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.6 | 176.6 | -57 | 167.1 | 0 | 0 | 0 | 108.7 | H583 Q584 V595 | H583-L597 WeakPolarHBondContact CB-O 3.24Å; Q584-L597 HydrophobicContact CG-CB 3.71Å; Q584-L597 WeakPolarHBondContact CG-O 3.37Å; Q584-L597 PolarHBondContact N-O 2.73Å; Q584-L597 PolarHBondContact O-N 2.99Å; V595-L597 HydrophobicContact CG1-CD2 3.74Å; V595-L597 HydrophobicContact CG1-CG 3.94Å |
| 598 | A | 85.6 | Confident | 86.7 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | trans | -131.7 | 133.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I504 A566 T568 H583 | I504-A598 HydrophobicContact CD1-CB 3.77Å; A566-A598 HydrophobicContact CB-CB 3.95Å; T568-A598 HydrophobicContact CG2-CB 3.85Å; H583-A598 HydrophobicContact CB-CB 3.89Å | ||
| 599 | V | 85.4 | Confident | 86.7 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | trans | -132.6 | 132.4 | -176.8 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | A510 H583 | A510-V599 HydrophobicContact CB-CB 3.95Å; A510-V599 HydrophobicContact CB-CG1 3.92Å; A510-V599 VanDerWaalsContact CB-O 3.26Å; A510-V599 WeakPolarHBondContact CB-O 3.13Å; A510-V599 PolarHBondContact N-O 3.43Å; H583-V599 PolarHBondContact ND1-N 3.09Å; H583-V599 VanDerWaalsContact ND1-N 3.17Å | ||
| 600 | E | 86.6 | Confident | 86.9 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -73 | 149.8 | 175.5 | -64.9 | -172.9 | 163.5 | 0 | 0 | 111.1 | I504 E508 F602 | I504-E600 HydrophobicContact CB-CG 4.45Å; I504-E600 HydrophobicContact CD1-CG 3.58Å; I504-E600 HydrophobicContact CG1-CG 3.76Å; I504-E600 HydrophobicContact CG2-CG 3.84Å; E508-E600 CarbonylContact O-C 3.58Å; E508-E600 VanDerWaalsContact O-CA 3.25Å; E508-E600 WeakPolarHBondContact O-CA 3.49Å; E600-F602 PolarHBondContact O-N 3.23Å; E600-F602 VanDerWaalsContact O-N 3.16Å |
| 601 | R | 88.2 | Confident | 87.4 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 119.2 | -179.7 | 179.3 | -180 | -72.6 | 160.9 | -1.1 | 109.2 | G480 N507 E508 S603 | G480-R601 VanDerWaalsContact C-NH2 3.3Å; G480-R601 PolarHBondContact O-NH2 3.14Å; N507-R601 PolarHBondContact O-NH1 3.14Å; N507-R601 VanDerWaalsContact O-NH1 3.11Å; N507-R601 PolarHBondContact O-NH2 3.35Å; N507-R601 VanDerWaalsContact O-NH2 3.15Å; E508-R601 WeakPolarHBondContact O-CB 3.33Å; E508-R601 PolarHBondContact O-N 2.88Å; R601-S603 PolarHBondContact O-N 2.87Å |
| 602 | F | 86.6 | Confident | 87.8 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 26% | 0.263 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 124 | 174.6 | -177.3 | -131.8 | 0 | 0 | 0 | 110.7 | C514 E600 S604 C605 L640 L643 | C514-F602 HydrophobicContact CB-CB 4.03Å; C514-F602 WeakPolarHBondContact O-CB 3.41Å; E600-F602 PolarHBondContact O-N 3.23Å; E600-F602 VanDerWaalsContact O-N 3.16Å; F602-S604 PolarHBondContact O-N 2.48Å; F602-C605 HydrophobicContact CB-CB 4.41Å; F602-C605 HydrophobicContact CD1-CB 4.48Å; F602-C605 VanDerWaalsContact O-CB 3.27Å; F602-C605 WeakPolarHBondContact O-CB 3.18Å; F602-C605 PolarHBondContact O-N 2.82Å; F602-C605 VanDerWaalsContact O-N 3.1Å; F602-L640 HydrophobicContact CE1-CD2 3.99Å; F602-L640 HydrophobicContact CZ-CD2 4.31Å; F602-L643 HydrophobicContact CZ-CD1 4.12Å |
| 603 | S | 84.8 | Confident | 88.1 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 64% | 0.643 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29.2 | -176.7 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | R601 S609 | R601-S603 PolarHBondContact O-N 2.87Å; S603-S609 WeakPolarHBondContact O-CB 3.3Å |
| 604 | S | 86.9 | Confident | 88.3 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 27.1 | 177.8 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | F602 V606 T638 | F602-S604 PolarHBondContact O-N 2.48Å; S604-V606 PolarHBondContact O-N 2.86Å; S604-T638 WeakPolarHBondContact CB-O 3.44Å; S604-T638 WeakPolarHBondContact O-CB 3.23Å; S604-T638 PolarHBondContact OG-O 2.82Å |
| 605 | C | 88.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | trans | -63.7 | 133.3 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 112.7 | F513 C514 F602 A607 C608 S609 T638 | F513-C605 VanDerWaalsContact C-SG 3.54Å; C514-C605 VanDerWaalsContact SG-SG 3.62Å; F602-C605 HydrophobicContact CB-CB 4.41Å; F602-C605 HydrophobicContact CD1-CB 4.48Å; F602-C605 VanDerWaalsContact O-CB 3.27Å; F602-C605 WeakPolarHBondContact O-CB 3.18Å; F602-C605 PolarHBondContact O-N 2.82Å; F602-C605 VanDerWaalsContact O-N 3.1Å; C605-A607 PolarHBondContact O-N 2.66Å; C605-A607 VanDerWaalsContact O-N 3.11Å; C605-C608 VanDerWaalsContact SG-SG 3.69Å; C605-S609 WeakPolarHBondContact O-CB 3.32Å; C605-S609 PolarHBondContact O-N 3.13Å; C605-S609 PolarHBondContact O-OG 3.14Å; C605-T638 WeakPolarHBondContact O-CG2 3.36Å | ||
| 606 | V | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -3.4 | 179.8 | -61.8 | 0 | 0 | 0 | 0 | 115.8 | W451 F513 S604 L634 T638 L640 | W451-V606 PolarHBondContact NE1-O 3.11Å; F513-V606 HydrophobicContact CB-CG2 3.95Å; F513-V606 HydrophobicContact CD1-CG2 4.21Å; F513-V606 HydrophobicContact CG-CG2 4.33Å; S604-V606 PolarHBondContact O-N 2.86Å; V606-L634 HydrophobicContact CB-CB 4.2Å; V606-L634 HydrophobicContact CB-CD1 4.29Å; V606-L634 HydrophobicContact CG1-CB 4.14Å; V606-T638 HydrophobicContact CG1-CG2 4.35Å; V606-L640 HydrophobicContact CG1-CD1 3.6Å |
| 607 | A | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -51.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T454 F513 C605 | T454-A607 HydrophobicContact CG2-CB 3.88Å; F513-A607 HydrophobicContact CB-CB 4.01Å; F513-A607 HydrophobicContact CD2-CB 3.5Å; F513-A607 HydrophobicContact CE2-CB 4.21Å; F513-A607 HydrophobicContact CG-CB 3.94Å; C605-A607 PolarHBondContact O-N 2.66Å; C605-A607 VanDerWaalsContact O-N 3.11Å |
| 608 | C | 90.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 8.6 | -171.6 | 77.4 | 0 | 0 | 0 | 0 | 114.3 | T458 C511 C514 C605 | T458-C608 HydrophobicContact CG2-CB 4Å; C511-C608 HydrophobicContact CB-CB 4.12Å; C511-C608 PolarHBondContact SG-SG 3.41Å; C514-C608 PolarHBondContact SG-SG 2.9Å; C605-C608 VanDerWaalsContact SG-SG 3.69Å |
| 609 | S | 89.5 | Confident | 89.8 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -74.7 | 154.6 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | S603 C605 V612 L613 | S603-S609 WeakPolarHBondContact O-CB 3.3Å; C605-S609 WeakPolarHBondContact O-CB 3.32Å; C605-S609 PolarHBondContact O-N 3.13Å; C605-S609 PolarHBondContact O-OG 3.14Å; S609-V612 PolarHBondContact O-N 3.31Å; S609-V612 WeakPolarHBondContact OG-CG2 3.41Å; S609-L613 VanDerWaalsContact O-CG 3.3Å; S609-L613 WeakPolarHBondContact O-CG 3.21Å; S609-L613 PolarHBondContact O-N 3.08Å |
| 610 | V | 90 | Very high | 90 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.255 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.6 | -42 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 112.8 | V612 L613 K614 | V610-V612 PolarHBondContact O-N 2.96Å; V610-L613 PolarHBondContact O-N 2.95Å; V610-K614 HydrophobicContact CG1-CD 4.08Å; V610-K614 HydrophobicContact CG1-CG 4.32Å; V610-K614 WeakPolarHBondContact O-CB 3.49Å; V610-K614 WeakPolarHBondContact O-CG 3.37Å; V610-K614 PolarHBondContact O-N 3.41Å |
| 611 | P | 90.4 | Very high | 90 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 34% | 0.344 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 175.6 | -26.4 | 36.5 | 0 | 0 | 0 | 113.3 | K614 E615 I637 | P611-K614 PolarHBondContact O-N 3.46Å; P611-E615 PolarHBondContact O-N 3.46Å; P611-I637 HydrophobicContact CB-CG2 3.88Å; P611-I637 VanDerWaalsContact CB-O 3.28Å; P611-I637 WeakPolarHBondContact CB-O 3.44Å |
| 612 | V | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 179.7 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L455 S609 V610 K614 E615 Y616 F623 L634 I637 T638 | L455-V612 HydrophobicContact CD1-CG1 3.64Å; S609-V612 PolarHBondContact O-N 3.31Å; S609-V612 WeakPolarHBondContact OG-CG2 3.41Å; V610-V612 PolarHBondContact O-N 2.96Å; V612-K614 VanDerWaalsContact C-N 3.34Å; V612-K614 PolarHBondContact O-N 3.13Å; V612-E615 PolarHBondContact O-N 2.93Å; V612-Y616 PolarHBondContact O-N 3.02Å; V612-F623 HydrophobicContact CG1-CE1 4.3Å; V612-F623 HydrophobicContact CG1-CZ 4.21Å; V612-L634 HydrophobicContact CG2-CD2 4.45Å; V612-I637 HydrophobicContact CG2-CG2 4.09Å; V612-T638 HydrophobicContact CG2-CG2 3.63Å |
| 613 | L | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 178.1 | -66.2 | 171.1 | 0 | 0 | 0 | 112.4 | L455 T458 Y459 W483 S609 V610 Q617 | L455-L613 HydrophobicContact CG-CD2 4.41Å; T458-L613 HydrophobicContact CG2-CD1 3.86Å; T458-L613 HydrophobicContact CG2-CD2 4.3Å; Y459-L613 HydrophobicContact CD2-CD2 4.47Å; W483-L613 HydrophobicContact CB-CD1 3.95Å; W483-L613 HydrophobicContact CD2-CB 4.44Å; W483-L613 HydrophobicContact CD2-CD1 3.63Å; W483-L613 HydrophobicContact CE3-CB 4.22Å; W483-L613 HydrophobicContact CE3-CD1 3.82Å; W483-L613 HydrophobicContact CG-CD1 3.69Å; W483-L613 HydrophobicContact CH2-CB 4.16Å; W483-L613 HydrophobicContact CZ2-CB 4.38Å; W483-L613 HydrophobicContact CZ3-CB 4.06Å; S609-L613 VanDerWaalsContact O-CG 3.3Å; S609-L613 WeakPolarHBondContact O-CG 3.21Å; S609-L613 PolarHBondContact O-N 3.08Å; V610-L613 PolarHBondContact O-N 2.95Å; L613-Q617 WeakPolarHBondContact O-CB 3.42Å; L613-Q617 PolarHBondContact O-N 3.26Å |
| 614 | K | 91.7 | Very high | 90.6 | Very high | 111 Ų | 111 | 34.4 Ų | 34.4 | 48% | 0.483 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 174.7 | -77.6 | -179.4 | 177 | -179.4 | 0 | 112.1 | V610 P611 V612 Q617 K618 | V610-K614 HydrophobicContact CG1-CD 4.08Å; V610-K614 HydrophobicContact CG1-CG 4.32Å; V610-K614 WeakPolarHBondContact O-CB 3.49Å; V610-K614 WeakPolarHBondContact O-CG 3.37Å; V610-K614 PolarHBondContact O-N 3.41Å; P611-K614 PolarHBondContact O-N 3.46Å; V612-K614 VanDerWaalsContact C-N 3.34Å; V612-K614 PolarHBondContact O-N 3.13Å; K614-Q617 WeakPolarHBondContact O-CB 3.47Å; K614-Q617 PolarHBondContact O-N 3.17Å; K614-K618 WeakPolarHBondContact O-CB 3.49Å; K614-K618 PolarHBondContact O-N 3.01Å |
| 615 | E | 92.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 34 Ų | 34 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -42.8 | 178.3 | -164.7 | 64.1 | -169.6 | 0 | 0 | 111.3 | P611 V612 Q617 K618 R619 F623 I637 | P611-E615 PolarHBondContact O-N 3.46Å; V612-E615 PolarHBondContact O-N 2.93Å; E615-Q617 PolarHBondContact O-N 3.28Å; E615-K618 PolarHBondContact O-N 3.38Å; E615-R619 PolarHBondContact O-N 3.23Å; E615-R619 VanDerWaalsContact O-N 3.08Å; E615-R619 WeakPolarHBondContact OE1-CD 3.44Å; E615-R619 IonicContact OE1-CZ 2.83Å; E615-R619 IonicContact OE1-NE 2.74Å; E615-R619 IonicContact OE1-NH1 3.69Å; E615-R619 PolarHBondContact OE1-NH1 3.06Å; E615-F623 HydrophobicContact CB-CD2 4.25Å; E615-F623 HydrophobicContact CB-CE2 4.12Å; E615-F623 HydrophobicContact CB-CZ 4.39Å; E615-F623 HydrophobicContact CG-CD2 3.5Å; E615-F623 VanDerWaalsContact CG-CD2 3.5Å; E615-F623 HydrophobicContact CG-CE2 3.66Å; E615-F623 HydrophobicContact CG-CG 4.15Å; E615-F623 HydrophobicContact CG-CZ 4.41Å; E615-I637 HydrophobicContact CG-CD1 4.16Å |
| 616 | Y | 93.2 | Very high | 90.8 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 170.7 | -176.4 | -99.9 | 0 | 0 | 0 | 111.8 | E431 L455 L456 Y459 V612 K618 R619 G620 F623 V624 | E431-Y616 PolarHBondContact OE2-OH 3.1Å; L455-Y616 HydrophobicContact CD2-CD1 3.81Å; L455-Y616 HydrophobicContact CD2-CD2 3.73Å; L455-Y616 HydrophobicContact CD2-CE1 4.23Å; L455-Y616 HydrophobicContact CD2-CE2 4.15Å; L455-Y616 HydrophobicContact CD2-CG 3.57Å; L456-Y616 HydrophobicContact CD2-CE1 3.74Å; L456-Y616 HydrophobicContact CD2-CE2 4.27Å; L456-Y616 WeakPolarHBondContact CD2-OH 3.31Å; Y459-Y616 HydrophobicContact CD1-CE1 4.4Å; Y459-Y616 HydrophobicContact CD2-CD1 4.33Å; Y459-Y616 HydrophobicContact CE1-CE1 4.5Å; Y459-Y616 HydrophobicContact CE2-CD1 4.44Å; Y459-Y616 HydrophobicContact CG-CD1 4.38Å; V612-Y616 PolarHBondContact O-N 3.02Å; Y616-K618 PolarHBondContact O-N 2.92Å; Y616-R619 PolarHBondContact O-N 3.45Å; Y616-G620 WeakPolarHBondContact O-CA 3.43Å; Y616-G620 PolarHBondContact O-N 3.06Å; Y616-F623 HydrophobicContact CD2-CD1 4.07Å; Y616-V624 HydrophobicContact CD2-CG2 4.11Å; Y616-V624 HydrophobicContact CE2-CG2 3.8Å |
| 617 | Q | 92 | Very high | 90.7 | Very high | 111 Ų | 111 | 36.8 Ų | 36.8 | 52% | 0.519 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.1 | -34.1 | 176.7 | -175.2 | 176.5 | 6.6 | 0 | 0 | 112.6 | Y459 L613 K614 E615 | Y459-Q617 HydrophobicContact CE2-CB 4Å; Y459-Q617 HydrophobicContact CE2-CG 4.33Å; L613-Q617 WeakPolarHBondContact O-CB 3.42Å; L613-Q617 PolarHBondContact O-N 3.26Å; K614-Q617 WeakPolarHBondContact O-CB 3.47Å; K614-Q617 PolarHBondContact O-N 3.17Å; E615-Q617 PolarHBondContact O-N 3.28Å |
| 618 | K | 91.7 | Very high | 90.6 | Very high | 166 Ų | 166 | 36.9 Ų | 36.9 | 72% | 0.722 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -80 | -36.1 | -177.7 | -174.8 | -176.3 | 174.1 | -170.2 | 0 | 112.9 | K614 E615 Y616 | K614-K618 WeakPolarHBondContact O-CB 3.49Å; K614-K618 PolarHBondContact O-N 3.01Å; E615-K618 PolarHBondContact O-N 3.38Å; Y616-K618 PolarHBondContact O-N 2.92Å |
| 619 | R | 91.6 | Very high | 90.4 | Very high | 78 Ų | 78 | 39.9 Ų | 39.9 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -123.4 | -13.8 | -164.6 | -68 | 169.7 | 62.3 | -169.2 | -3.8 | 115.1 | E615 Y616 G621 A622 F623 D626 | E615-R619 PolarHBondContact O-N 3.23Å; E615-R619 VanDerWaalsContact O-N 3.08Å; E615-R619 WeakPolarHBondContact OE1-CD 3.44Å; E615-R619 IonicContact OE1-CZ 2.83Å; E615-R619 IonicContact OE1-NE 2.74Å; E615-R619 IonicContact OE1-NH1 3.69Å; E615-R619 PolarHBondContact OE1-NH1 3.06Å; Y616-R619 PolarHBondContact O-N 3.45Å; R619-G621 PolarHBondContact O-N 2.87Å; R619-A622 WeakPolarHBondContact O-CB 3.09Å; R619-A622 PolarHBondContact O-N 2.87Å; R619-F623 HydrophobicContact CB-CB 3.75Å; R619-D626 IonicContact CZ-OD2 3.77Å; R619-D626 IonicContact NH1-OD2 2.96Å; R619-D626 IonicContact NH2-OD1 3.77Å; R619-D626 IonicContact NH2-OD2 3.76Å; R619-D626 PolarHBondContact NH2-OD2 3.13Å |
| 620 | G | 90 | Very high | 90.1 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -131.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y616 A622 F623 | Y616-G620 WeakPolarHBondContact O-CA 3.43Å; Y616-G620 PolarHBondContact O-N 3.06Å; G620-A622 PolarHBondContact O-N 3.43Å; G620-F623 WeakPolarHBondContact O-CB 3.35Å; G620-F623 PolarHBondContact O-N 3.21Å |
| 621 | G | 86.9 | Confident | 89.7 | Confident | 12 Ų | 12 | 40 Ų | 40 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.3 | -31.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R619 F623 V624 I625 | R619-G621 PolarHBondContact O-N 2.87Å; G621-F623 VanDerWaalsContact C-N 3.29Å; G621-F623 PolarHBondContact O-N 2.85Å; G621-V624 WeakPolarHBondContact O-CB 3.42Å; G621-V624 PolarHBondContact O-N 2.98Å; G621-V624 VanDerWaalsContact O-N 3.07Å; G621-I625 PolarHBondContact O-N 3.4Å |
| 622 | A | 88.7 | Confident | 89.2 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.4 | -32.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R619 G620 D626 | R619-A622 WeakPolarHBondContact O-CB 3.09Å; R619-A622 PolarHBondContact O-N 2.87Å; G620-A622 PolarHBondContact O-N 3.43Å; A622-D626 PolarHBondContact O-N 3.05Å |
| 623 | F | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.9 | -36 | 173 | 166.6 | -107.9 | 0 | 0 | 0 | 111.9 | W451 L455 V612 E615 Y616 R619 G620 G621 D626 V627 L634 I637 | W451-F623 HydrophobicContact CH2-CE1 4.01Å; W451-F623 AromaticContact CZ2-CE1 3.93Å; W451-F623 HydrophobicContact CZ2-CE1 3.93Å; W451-F623 HydrophobicContact CZ2-CZ 4.26Å; L455-F623 HydrophobicContact CD1-CE1 4.04Å; V612-F623 HydrophobicContact CG1-CE1 4.3Å; V612-F623 HydrophobicContact CG1-CZ 4.21Å; E615-F623 HydrophobicContact CB-CD2 4.25Å; E615-F623 HydrophobicContact CB-CE2 4.12Å; E615-F623 HydrophobicContact CB-CZ 4.39Å; E615-F623 HydrophobicContact CG-CD2 3.5Å; E615-F623 VanDerWaalsContact CG-CD2 3.5Å; E615-F623 HydrophobicContact CG-CE2 3.66Å; E615-F623 HydrophobicContact CG-CG 4.15Å; E615-F623 HydrophobicContact CG-CZ 4.41Å; Y616-F623 HydrophobicContact CD2-CD1 4.07Å; R619-F623 HydrophobicContact CB-CB 3.75Å; G620-F623 WeakPolarHBondContact O-CB 3.35Å; G620-F623 PolarHBondContact O-N 3.21Å; G621-F623 VanDerWaalsContact C-N 3.29Å; G621-F623 PolarHBondContact O-N 2.85Å; F623-D626 PolarHBondContact O-N 3.31Å; F623-V627 HydrophobicContact CD2-CG2 3.98Å; F623-V627 HydrophobicContact CE1-CG2 4.22Å; F623-V627 HydrophobicContact CE2-CG2 3.48Å; F623-V627 VanDerWaalsContact CE2-CG2 3.48Å; F623-V627 HydrophobicContact CZ-CG2 3.63Å; F623-V627 WeakPolarHBondContact O-CG2 3.33Å; F623-V627 PolarHBondContact O-N 3.19Å; F623-V627 VanDerWaalsContact O-N 3.08Å; F623-L634 HydrophobicContact CZ-CD2 3.99Å; F623-I637 HydrophobicContact CE2-CD1 3.64Å; F623-I637 HydrophobicContact CZ-CD1 4.37Å |
| 624 | V | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 177 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | P409 V427 W451 L452 Y616 G621 V627 C628 | P409-V624 HydrophobicContact CB-CG1 3.88Å; P409-V624 HydrophobicContact CG-CG1 4.46Å; V427-V624 HydrophobicContact CG1-CG2 4.3Å; V427-V624 HydrophobicContact CG2-CB 4.33Å; V427-V624 HydrophobicContact CG2-CG1 3.94Å; V427-V624 HydrophobicContact CG2-CG2 4.46Å; W451-V624 HydrophobicContact CH2-CG2 4.48Å; W451-V624 HydrophobicContact CZ3-CG1 4.22Å; W451-V624 HydrophobicContact CZ3-CG2 4.45Å; L452-V624 HydrophobicContact CD1-CG1 4.41Å; L452-V624 HydrophobicContact CD1-CG2 3.78Å; L452-V624 HydrophobicContact CD2-CG1 4.4Å; Y616-V624 HydrophobicContact CD2-CG2 4.11Å; Y616-V624 HydrophobicContact CE2-CG2 3.8Å; G621-V624 WeakPolarHBondContact O-CB 3.42Å; G621-V624 PolarHBondContact O-N 2.98Å; G621-V624 VanDerWaalsContact O-N 3.07Å; V624-V627 PolarHBondContact O-N 3.47Å; V624-C628 PolarHBondContact O-N 3.2Å; V624-C628 PolarHBondContact O-SG 3.24Å |
| 625 | I | 90.2 | Very high | 88 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -49.8 | 177.4 | -67.8 | 166 | 0 | 0 | 0 | 110.9 | I415 E420 T423 V424 G621 V627 C628 N629 | I415-I625 HydrophobicContact CD1-CG1 4.24Å; E420-I625 HydrophobicContact CB-CD1 3.95Å; E420-I625 HydrophobicContact CG-CD1 4.08Å; E420-I625 HydrophobicContact CG-CG2 4.24Å; T423-I625 HydrophobicContact CG2-CG1 4.35Å; V424-I625 HydrophobicContact CG2-CD1 3.75Å; G621-I625 PolarHBondContact O-N 3.4Å; I625-V627 VanDerWaalsContact C-N 3.3Å; I625-V627 PolarHBondContact O-N 2.85Å; I625-C628 WeakPolarHBondContact O-CB 3.36Å; I625-C628 PolarHBondContact O-N 3.27Å; I625-C628 VanDerWaalsContact O-N 3.09Å; I625-N629 PolarHBondContact O-N 3.4Å |
| 626 | D | 88.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 178.8 | -86.2 | 31 | 0 | 0 | 0 | 112.9 | R619 A622 F623 N629 G630 | R619-D626 IonicContact CZ-OD2 3.77Å; R619-D626 IonicContact NH1-OD2 2.96Å; R619-D626 IonicContact NH2-OD1 3.77Å; R619-D626 IonicContact NH2-OD2 3.76Å; R619-D626 PolarHBondContact NH2-OD2 3.13Å; A622-D626 PolarHBondContact O-N 3.05Å; F623-D626 PolarHBondContact O-N 3.31Å; D626-N629 PolarHBondContact O-N 2.98Å; D626-G630 WeakPolarHBondContact O-CA 3.35Å; D626-G630 PolarHBondContact O-N 3.06Å |
| 627 | V | 89.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.2 | -36.3 | 177.1 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | P411 W451 F623 V624 I625 G630 P631 L634 | P411-V627 HydrophobicContact CB-CG1 4.07Å; P411-V627 HydrophobicContact CG-CG1 3.91Å; W451-V627 HydrophobicContact CH2-CB 3.9Å; W451-V627 HydrophobicContact CH2-CG1 3.7Å; W451-V627 HydrophobicContact CH2-CG2 4.11Å; W451-V627 HydrophobicContact CZ2-CB 4.29Å; W451-V627 HydrophobicContact CZ2-CG1 3.78Å; W451-V627 HydrophobicContact CZ2-CG2 4.21Å; W451-V627 HydrophobicContact CZ3-CB 4.46Å; W451-V627 HydrophobicContact CZ3-CG1 4.1Å; F623-V627 HydrophobicContact CD2-CG2 3.98Å; F623-V627 HydrophobicContact CE1-CG2 4.22Å; F623-V627 HydrophobicContact CE2-CG2 3.48Å; F623-V627 VanDerWaalsContact CE2-CG2 3.48Å; F623-V627 HydrophobicContact CZ-CG2 3.63Å; F623-V627 WeakPolarHBondContact O-CG2 3.33Å; F623-V627 PolarHBondContact O-N 3.19Å; F623-V627 VanDerWaalsContact O-N 3.08Å; V624-V627 PolarHBondContact O-N 3.47Å; I625-V627 VanDerWaalsContact C-N 3.3Å; I625-V627 PolarHBondContact O-N 2.85Å; V627-G630 CarbonylContact O-C 3.52Å; V627-P631 WeakPolarHBondContact O-CA 3.35Å; V627-L634 HydrophobicContact CG1-CD1 3.63Å; V627-L634 HydrophobicContact CG1-CD2 4.16Å; V627-L634 HydrophobicContact CG1-CG 3.87Å; V627-L634 HydrophobicContact CG2-CD2 3.83Å; V627-L634 HydrophobicContact CG2-CG 4.11Å |
| 628 | C | 87.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 174.9 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | M410 G412 H413 I415 V624 I625 | M410-C628 PolarHBondContact O-SG 2.94Å; G412-C628 CarbonylContact C-O 3.47Å; G412-C628 VanDerWaalsContact CA-O 3.24Å; G412-C628 WeakPolarHBondContact CA-O 3.48Å; G412-C628 PolarHBondContact N-O 3.07Å; H413-C628 PolarHBondContact N-O 3.45Å; I415-C628 HydrophobicContact CD1-CB 3.52Å; I415-C628 HydrophobicContact CG1-CB 4.04Å; V624-C628 PolarHBondContact O-N 3.2Å; V624-C628 PolarHBondContact O-SG 3.24Å; I625-C628 WeakPolarHBondContact O-CB 3.36Å; I625-C628 PolarHBondContact O-N 3.27Å; I625-C628 VanDerWaalsContact O-N 3.09Å |
| 629 | N | 87.7 | Confident | 86.2 | Confident | 66 Ų | 66 | 33 Ų | 33 | 35% | 0.353 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -77.3 | -22.1 | -179.6 | -70.2 | -15.7 | 0 | 0 | 0 | 113.4 | I415 I625 D626 | I415-N629 PolarHBondContact N-OD1 3.28Å; I415-N629 PolarHBondContact O-ND2 2.92Å; I415-N629 PolarHBondContact O-OD1 3.4Å; I625-N629 PolarHBondContact O-N 3.4Å; D626-N629 PolarHBondContact O-N 2.98Å |
| 630 | G | 83.7 | Confident | 85.5 | Confident | 20 Ų | 20 | 29.4 Ų | 29.4 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | trans | -151.6 | 77.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D626 V627 V632 Q633 | D626-G630 WeakPolarHBondContact O-CA 3.35Å; D626-G630 PolarHBondContact O-N 3.06Å; V627-G630 CarbonylContact O-C 3.52Å; G630-V632 PolarHBondContact O-N 3.43Å; G630-V632 VanDerWaalsContact O-N 3.08Å; G630-Q633 WeakPolarHBondContact O-CB 3.33Å; G630-Q633 VanDerWaalsContact O-CG 3.32Å; G630-Q633 WeakPolarHBondContact O-CG 3.23Å; G630-Q633 PolarHBondContact O-N 3.49Å; G630-Q633 VanDerWaalsContact O-N 3.17Å | ||
| 631 | P | 80.2 | Confident | 84.8 | Confident | 25 Ų | 25 | 30.8 Ų | 30.8 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.3 | -172.6 | 24.6 | -34.9 | 0 | 0 | 0 | 114.4 | P411 P520 V627 Q633 L634 | P411-P631 HydrophobicContact CB-CB 4.12Å; P520-P631 WeakPolarHBondContact O-CB 3.3Å; V627-P631 WeakPolarHBondContact O-CA 3.35Å; P631-Q633 PolarHBondContact O-N 3.4Å; P631-L634 WeakPolarHBondContact O-CB 3.15Å; P631-L634 PolarHBondContact O-N 3.08Å; P631-L634 VanDerWaalsContact O-N 3.14Å |
| 632 | V | 80.9 | Confident | 84.2 | Confident | 98 Ų | 98 | 35.9 Ų | 35.9 | 59% | 0.594 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.4 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | G630 L634 E635 | G630-V632 PolarHBondContact O-N 3.43Å; G630-V632 VanDerWaalsContact O-N 3.08Å; V632-L634 PolarHBondContact O-N 2.94Å; V632-L634 VanDerWaalsContact O-N 3.16Å; V632-E635 WeakPolarHBondContact O-CB 3.39Å; V632-E635 PolarHBondContact O-N 3.07Å |
| 633 | Q | 81.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.7 | -30.6 | 177.3 | -64.4 | -178.7 | 11.9 | 0 | 0 | 113.1 | G630 P631 E635 S636 I637 | G630-Q633 WeakPolarHBondContact O-CB 3.33Å; G630-Q633 VanDerWaalsContact O-CG 3.32Å; G630-Q633 WeakPolarHBondContact O-CG 3.23Å; G630-Q633 PolarHBondContact O-N 3.49Å; G630-Q633 VanDerWaalsContact O-N 3.17Å; P631-Q633 PolarHBondContact O-N 3.4Å; Q633-E635 PolarHBondContact O-N 3.41Å; Q633-S636 PolarHBondContact O-N 3.3Å; Q633-I637 WeakPolarHBondContact O-CG1 3.12Å; Q633-I637 PolarHBondContact O-N 3.09Å |
| 634 | L | 85.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -32.1 | 176.3 | -68.6 | 173.3 | 0 | 0 | 0 | 112 | W451 A519 P520 V606 V612 F623 V627 P631 V632 T638 | W451-L634 HydrophobicContact CZ2-CD2 4.07Å; A519-L634 HydrophobicContact CB-CB 4.47Å; P520-L634 HydrophobicContact CG-CD1 4.39Å; V606-L634 HydrophobicContact CB-CB 4.2Å; V606-L634 HydrophobicContact CB-CD1 4.29Å; V606-L634 HydrophobicContact CG1-CB 4.14Å; V612-L634 HydrophobicContact CG2-CD2 4.45Å; F623-L634 HydrophobicContact CZ-CD2 3.99Å; V627-L634 HydrophobicContact CG1-CD1 3.63Å; V627-L634 HydrophobicContact CG1-CD2 4.16Å; V627-L634 HydrophobicContact CG1-CG 3.87Å; V627-L634 HydrophobicContact CG2-CD2 3.83Å; V627-L634 HydrophobicContact CG2-CG 4.11Å; P631-L634 WeakPolarHBondContact O-CB 3.15Å; P631-L634 PolarHBondContact O-N 3.08Å; P631-L634 VanDerWaalsContact O-N 3.14Å; V632-L634 PolarHBondContact O-N 2.94Å; V632-L634 VanDerWaalsContact O-N 3.16Å; L634-T638 WeakPolarHBondContact O-CB 3.42Å; L634-T638 VanDerWaalsContact O-CG2 3.31Å; L634-T638 WeakPolarHBondContact O-CG2 3.46Å; L634-T638 PolarHBondContact O-N 3.03Å; L634-T638 VanDerWaalsContact O-N 3.17Å; L634-T638 PolarHBondContact O-OG1 3.46Å |
| 635 | E | 82 | Confident | 80.4 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 179.4 | -54 | -162.5 | 155.6 | 0 | 0 | 111 | A519 V632 Q633 T638 G639 L640 K644 | A519-E635 HydrophobicContact CB-CG 3.71Å; A519-E635 PolarHBondContact N-OE1 3.24Å; V632-E635 WeakPolarHBondContact O-CB 3.39Å; V632-E635 PolarHBondContact O-N 3.07Å; Q633-E635 PolarHBondContact O-N 3.41Å; E635-T638 PolarHBondContact O-N 3.32Å; E635-T638 PolarHBondContact O-OG1 2.8Å; E635-G639 PolarHBondContact O-N 3.1Å; E635-L640 HydrophobicContact CB-CB 4.21Å; E635-L640 PolarHBondContact O-N 3.21Å; E635-K644 IonicContact OE1-NZ 3.99Å; E635-K644 PolarHBondContact OE1-NZ 3.24Å; E635-K644 IonicContact OE2-NZ 2.72Å; E635-K644 PolarHBondContact OE2-NZ 2.87Å |
| 636 | S | 82.1 | Confident | 78.9 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 51% | 0.51 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.5 | -37.5 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | Q633 T638 D641 | Q633-S636 PolarHBondContact O-N 3.3Å; S636-T638 VanDerWaalsContact C-N 3.27Å; S636-T638 PolarHBondContact O-N 3.29Å; S636-D641 WeakPolarHBondContact CA-OD2 3.39Å; S636-D641 PolarHBondContact OG-OD2 2.84Å; S636-D641 VanDerWaalsContact OG-OD2 3.11Å |
| 637 | I | 85.7 | Confident | 77.2 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -33.6 | 176.6 | -69.1 | 164.9 | 0 | 0 | 0 | 111.4 | P611 V612 E615 F623 Q633 | P611-I637 HydrophobicContact CB-CG2 3.88Å; P611-I637 VanDerWaalsContact CB-O 3.28Å; P611-I637 WeakPolarHBondContact CB-O 3.44Å; V612-I637 HydrophobicContact CG2-CG2 4.09Å; E615-I637 HydrophobicContact CG-CD1 4.16Å; F623-I637 HydrophobicContact CE2-CD1 3.64Å; F623-I637 HydrophobicContact CZ-CD1 4.37Å; Q633-I637 WeakPolarHBondContact O-CG1 3.12Å; Q633-I637 PolarHBondContact O-N 3.09Å |
| 638 | T | 85 | Confident | 75.3 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -92.9 | -11.8 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | S604 C605 V606 V612 L634 E635 S636 L640 | S604-T638 WeakPolarHBondContact CB-O 3.44Å; S604-T638 WeakPolarHBondContact O-CB 3.23Å; S604-T638 PolarHBondContact OG-O 2.82Å; C605-T638 WeakPolarHBondContact O-CG2 3.36Å; V606-T638 HydrophobicContact CG1-CG2 4.35Å; V612-T638 HydrophobicContact CG2-CG2 3.63Å; L634-T638 WeakPolarHBondContact O-CB 3.42Å; L634-T638 VanDerWaalsContact O-CG2 3.31Å; L634-T638 WeakPolarHBondContact O-CG2 3.46Å; L634-T638 PolarHBondContact O-N 3.03Å; L634-T638 VanDerWaalsContact O-N 3.17Å; L634-T638 PolarHBondContact O-OG1 3.46Å; E635-T638 PolarHBondContact O-N 3.32Å; E635-T638 PolarHBondContact O-OG1 2.8Å; S636-T638 VanDerWaalsContact C-N 3.27Å; S636-T638 PolarHBondContact O-N 3.29Å; T638-L640 VanDerWaalsContact C-N 3.32Å; T638-L640 WeakPolarHBondContact OG1-CD1 3.48Å |
| 639 | G | 79.2 | Confident | 73.3 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 18.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E635 D641 L642 L643 | E635-G639 PolarHBondContact O-N 3.1Å; G639-D641 VanDerWaalsContact C-N 3.28Å; G639-D641 WeakPolarHBondContact CA-OD1 3.28Å; G639-L642 PolarHBondContact O-N 3.29Å; G639-L643 PolarHBondContact O-N 3.08Å |
| 640 | L | 76.4 | Confident | 71.2 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.1 | -28.1 | 176 | -83.9 | 172 | 0 | 0 | 0 | 112.2 | V517 F602 V606 E635 T638 L643 K644 | V517-L640 HydrophobicContact CB-CD2 4.5Å; V517-L640 HydrophobicContact CG1-CD2 4.18Å; F602-L640 HydrophobicContact CE1-CD2 3.99Å; F602-L640 HydrophobicContact CZ-CD2 4.31Å; V606-L640 HydrophobicContact CG1-CD1 3.6Å; E635-L640 HydrophobicContact CB-CB 4.21Å; E635-L640 PolarHBondContact O-N 3.21Å; T638-L640 VanDerWaalsContact C-N 3.32Å; T638-L640 WeakPolarHBondContact OG1-CD1 3.48Å; L640-L643 HydrophobicContact CD2-CD1 4.21Å; L640-L643 PolarHBondContact O-N 3.22Å; L640-K644 WeakPolarHBondContact O-CB 3.36Å; L640-K644 VanDerWaalsContact O-CG 3.32Å; L640-K644 WeakPolarHBondContact O-CG 3.47Å; L640-K644 PolarHBondContact O-N 2.78Å |
| 641 | D | 75.5 | Confident | 69 | Low | 52 Ų | 52 | 67.6 Ų | 67.6 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 171.4 | 52.7 | -6.2 | 0 | 0 | 0 | 112 | S636 G639 K644 M645 | S636-D641 WeakPolarHBondContact CA-OD2 3.39Å; S636-D641 PolarHBondContact OG-OD2 2.84Å; S636-D641 VanDerWaalsContact OG-OD2 3.11Å; G639-D641 VanDerWaalsContact C-N 3.28Å; G639-D641 WeakPolarHBondContact CA-OD1 3.28Å; D641-K644 PolarHBondContact O-N 3.01Å; D641-M645 WeakPolarHBondContact O-CG 3.39Å; D641-M645 PolarHBondContact O-N 2.95Å; D641-M645 VanDerWaalsContact O-N 3.1Å |
| 642 | L | 74.9 | Confident | 66.8 | Low | 119 Ų | 119 | 73.4 Ų | 73.4 | 62% | 0.623 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 175.9 | -60.9 | 174.5 | 0 | 0 | 0 | 112.3 | G639 M645 A646 | G639-L642 PolarHBondContact O-N 3.29Å; L642-M645 PolarHBondContact O-N 3.05Å; L642-A646 PolarHBondContact O-N 3.13Å |
| 643 | L | 66.1 | Low | 64.4 | Low | 90 Ų | 90 | 77.2 Ų | 77.2 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 176.3 | -81.4 | 165.2 | 0 | 0 | 0 | 112.4 | F602 G639 L640 M645 A646 A647 | F602-L643 HydrophobicContact CZ-CD1 4.12Å; G639-L643 PolarHBondContact O-N 3.08Å; L640-L643 HydrophobicContact CD2-CD1 4.21Å; L640-L643 PolarHBondContact O-N 3.22Å; L643-M645 VanDerWaalsContact C-N 3.32Å; L643-A646 PolarHBondContact O-N 2.78Å; L643-A647 PolarHBondContact O-N 3.17Å |
| 644 | K | 65.1 | Low | 62 | Low | 89 Ų | 89 | 79.8 Ų | 79.8 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 174.7 | -75.2 | 176.4 | -174.5 | 178.4 | 0 | 111.3 | V517 E635 L640 D641 V648 | V517-K644 WeakPolarHBondContact O-CE 3.24Å; E635-K644 IonicContact OE1-NZ 3.99Å; E635-K644 PolarHBondContact OE1-NZ 3.24Å; E635-K644 IonicContact OE2-NZ 2.72Å; E635-K644 PolarHBondContact OE2-NZ 2.87Å; L640-K644 WeakPolarHBondContact O-CB 3.36Å; L640-K644 VanDerWaalsContact O-CG 3.32Å; L640-K644 WeakPolarHBondContact O-CG 3.47Å; L640-K644 PolarHBondContact O-N 2.78Å; D641-K644 PolarHBondContact O-N 3.01Å; K644-V648 WeakPolarHBondContact O-CG2 3.32Å |
| 645 | M | 61.5 | Low | 59.3 | Low | 133 Ų | 133 | 91.4 Ų | 91.4 | 66% | 0.655 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -46.6 | 175.5 | -72.1 | 176.6 | 159 | 0 | 0 | 112.4 | D641 L642 L643 A647 V648 | D641-M645 WeakPolarHBondContact O-CG 3.39Å; D641-M645 PolarHBondContact O-N 2.95Å; D641-M645 VanDerWaalsContact O-N 3.1Å; L642-M645 PolarHBondContact O-N 3.05Å; L643-M645 VanDerWaalsContact C-N 3.32Å; M645-A647 VanDerWaalsContact C-N 3.32Å; M645-A647 PolarHBondContact O-N 3.42Å; M645-V648 PolarHBondContact O-N 2.88Å |
| 646 | A | 57.4 | Low | 56.9 | Low | 56 Ų | 56 | 98.8 Ų | 98.8 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -28.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L642 L643 V648 T650 | L642-A646 PolarHBondContact O-N 3.13Å; L643-A646 PolarHBondContact O-N 2.78Å; A646-V648 VanDerWaalsContact C-N 3.3Å; A646-V648 PolarHBondContact O-N 3.26Å; A646-T650 PolarHBondContact O-OG1 2.98Å |
| 647 | A | 53.7 | Low | 54.5 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 52% | 0.521 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.7 | -20.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L643 M645 T650 | L643-A647 PolarHBondContact O-N 3.17Å; M645-A647 VanDerWaalsContact C-N 3.32Å; M645-A647 PolarHBondContact O-N 3.42Å; A647-T650 PolarHBondContact O-OG1 3.46Å |
| 648 | V | 49 | Very low | 51.9 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -83.1 | -30.1 | 177.9 | 178 | 0 | 0 | 0 | 0 | 111.3 | K644 M645 A646 T651 | K644-V648 WeakPolarHBondContact O-CG2 3.32Å; M645-V648 PolarHBondContact O-N 2.88Å; A646-V648 VanDerWaalsContact C-N 3.3Å; A646-V648 PolarHBondContact O-N 3.26Å; V648-T651 PolarHBondContact O-OG1 3.47Å |
| 649 | D | 44.8 | Very low | 49.3 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.6 | -22 | 179.1 | -77.6 | -24.4 | 0 | 0 | 0 | 114 | T651 | D649-T651 VanDerWaalsContact C-N 3.29Å; D649-T651 PolarHBondContact O-N 3.05Å |
| 650 | T | 43.9 | Very low | 46.8 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 72% | 0.718 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -3.8 | -176.8 | 21.5 | 0 | 0 | 0 | 0 | 114.6 | A646 A647 | A646-T650 PolarHBondContact O-OG1 2.98Å; A647-T650 PolarHBondContact O-OG1 3.46Å |
| 651 | T | 38.7 | Very low | 44.5 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 55% | 0.546 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | 3.3 | -179.3 | 33 | 0 | 0 | 0 | 0 | 115.9 | V648 D649 | V648-T651 PolarHBondContact O-OG1 3.47Å; D649-T651 VanDerWaalsContact C-N 3.29Å; D649-T651 PolarHBondContact O-N 3.05Å |
| 652 | N | 33.6 | Very low | 42.4 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | -123 | 21.5 | -166.5 | -92.3 | -10.7 | 0 | 0 | 0 | 118.6 | ||||
| 653 | M | 30.1 | Very low | 40.2 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 88% | 0.882 | 72% | 0.719 | S | S | * | * | trans | -105.3 | 139.3 | 179 | -79.1 | -148.5 | -82.6 | 0 | 0 | 116.1 | ||||
| 654 | P | 31 | Very low | 38.4 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -83.2 | 150.1 | -174.4 | 4.5 | 15.5 | 0 | 0 | 0 | 112.7 | ||||
| 655 | R | 30 | Very low | 36.9 | Very low | 244 Ų | 244 | 135.8 Ų | 135.8 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -90 | 114.2 | -177.7 | -74.6 | 176.4 | 171 | 171 | -3.2 | 111.5 | ||||
| 656 | E | 31.9 | Very low | 35.2 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -159 | 140.5 | 153 | -111.8 | 165.1 | -154.1 | 0 | 0 | 110.3 | ||||
| 657 | E | 32 | Very low | 33.9 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 86.1 | 124.6 | 165 | -60.6 | -171.6 | 160.2 | 0 | 0 | 121.5 | ||||
| 658 | E | 30.5 | Very low | 32.6 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 115.4 | 135.7 | 140.6 | -81.6 | -179.3 | 173.4 | 0 | 0 | 121.8 | ||||
| 659 | K | 29.4 | Very low | 31.6 | Very low | 196 Ų | 196 | 147.9 Ų | 147.9 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -99.9 | 161.8 | -161.1 | -69.8 | 160.6 | 172.5 | 167.9 | 0 | 110 | ||||
| 660 | S | 27.8 | Very low | 30.7 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 96.8 | 135.9 | 154.6 | 81.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 661 | V | 28.3 | Very low | 30 | Very low | 140 Ų | 140 | 152.2 Ų | 152.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | 91.3 | 108.1 | 174.8 | -162.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 662 | A | 31.4 | Very low | 29.4 | Very low | 89 Ų | 89 | 156.1 Ų | 156.1 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | -85.9 | 153.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 663 | P | 28.7 | Very low | 29.2 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | -139.6 | 159.5 | 60.3 | 31.7 | -10.1 | 0 | 0 | 0 | 116.8 | |||||
| 664 | T | 28.7 | Very low | 29.1 | Very low | 133 Ų | 133 | 155 Ų | 155 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | trans | -49 | 159 | 164.9 | 28.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 665 | P | 31.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | cis | -151.6 | -171.3 | 38 | 34 | -7.7 | 0 | 0 | 0 | 117.5 | ||||
| 666 | V | 27.6 | Very low | 28.9 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | 95.8 | 100.6 | 162 | -161.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 667 | H | 28.3 | Very low | 28.6 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -84.6 | 148.6 | 172.8 | -116.4 | -42.3 | 0 | 0 | 0 | 111.6 | ||||
| 668 | L | 27.9 | Very low | 28.3 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 73% | 0.728 | 83% | 0.827 | S | S | * | * | trans | 65.6 | 107.8 | 137.1 | -76.2 | 150 | 0 | 0 | 0 | 119.3 | ||||
| 669 | L | 27.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | 176.3 | 79.9 | 119.7 | -93.2 | 157.1 | 0 | 0 | 0 | 109.2 | |||||
| 670 | N | 26.3 | Very low | 28 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -166.9 | 92.3 | 158.9 | -96.3 | -21.5 | 0 | 0 | 0 | 109.1 | ||||
| 671 | K | 28.6 | Very low | 28 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 168.8 | 114.4 | 148.8 | -95.6 | 172.4 | -173.6 | -171.8 | 0 | 106.6 | ||||
| 672 | L | 26.5 | Very low | 28 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | 177.6 | 151.8 | 116.2 | -85.8 | 166.9 | 0 | 0 | 0 | 109.8 | |||||
| 673 | P | 29.2 | Very low | 27.8 | Very low | 115 Ų | 115 | 152.5 Ų | 152.5 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -102.8 | 164.8 | -148.1 | 10.4 | 13 | 0 | 0 | 0 | 113 | ||||
| 674 | L | 26.9 | Very low | 27.7 | Very low | 186 Ų | 186 | 154 Ų | 154 | 97% | 0.974 | 81% | 0.811 | S | S | * | * | trans | -69 | 126.9 | 166.7 | -74.4 | 147.6 | 0 | 0 | 0 | 110.1 | ||||
| 675 | G | 28 | Very low | 27.5 | Very low | 75 Ų | 75 | 153.9 Ų | 153.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 177.4 | 118.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 676 | E | 28.7 | Very low | 27.1 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -64.3 | 128.9 | 178.2 | -63.9 | 174.6 | 139.9 | 0 | 0 | 111.8 | ||||
| 677 | E | 26.6 | Very low | 27 | Very low | 179 Ų | 179 | 158.1 Ų | 158.1 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | 178.1 | 125 | 137.5 | -100.8 | 178.2 | 175.7 | 0 | 0 | 113.4 | ||||
| 678 | R | 25.9 | Very low | 26.9 | Very low | 232 Ų | 232 | 156.3 Ų | 156.3 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | 36.1 | 110.9 | 152.7 | -61.4 | -178.2 | -170.4 | -168.7 | 3.6 | 120.9 | ||||
| 679 | L | 27.6 | Very low | 26.8 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -45.3 | 142.9 | 162.6 | -70.7 | 154.2 | 0 | 0 | 0 | 115.7 | ||||
| 680 | P | 25.2 | Very low | 26.8 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -121.8 | 160.9 | 125.8 | 9.9 | 11.3 | 0 | 0 | 0 | 112.4 | |||||
| 681 | K | 28.5 | Very low | 26.8 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 48% | 0.483 | 79% | 0.785 | S | S | . | * | trans | -100.8 | 141.1 | -171.5 | -58.8 | 161 | 75.1 | -132.4 | 0 | 110.4 | R1233 | K681-R1233 VanDerWaalsContact CD-NH2 3.28Å; K681-R1233 VanDerWaalsContact NZ-NE 3.17Å | ||
| 682 | E | 29 | Very low | 27.1 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -176.3 | 107.5 | 159.2 | -100.6 | 158.2 | -155.4 | 0 | 0 | 105.4 | ||||
| 683 | D | 26.3 | Very low | 27.2 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | 56.6 | 134.8 | 79.5 | -76.5 | -31.8 | 0 | 0 | 0 | 115.1 | |||||
| 684 | D | 26.2 | Very low | 27.6 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | trans | 78.9 | 91.8 | 173.4 | -59.4 | -23.6 | 0 | 0 | 0 | 119.6 | ||||
| 685 | C | 24.1 | Very low | 28.1 | Very low | 130 Ų | 130 | 128 Ų | 128 | 88% | 0.878 | 68% | 0.681 | S | S | * | * | trans | 178.9 | 117.3 | 132.1 | -88.9 | 0 | 0 | 0 | 0 | 110 | E687 | C685-E687 PolarHBondContact O-N 2.83Š| ||
| 686 | I | 24.6 | Very low | 28.5 | Very low | 160 Ų | 160 | 128 Ų | 128 | 82% | 0.821 | 67% | 0.666 | S | S | * | * | trans | -82.7 | 95.2 | 179 | -58.5 | 171.8 | 0 | 0 | 0 | 108.5 | M688 | I686-M688 HydrophobicContact CG2-CG 3.84Å; I686-M688 PolarHBondContact O-N 3.45Å | ||
| 687 | E | 24.5 | Very low | 28.9 | Very low | 187 Ų | 187 | 123.6 Ų | 123.6 | 87% | 0.874 | 65% | 0.647 | S | S | * | * | trans | -76.2 | 98.8 | 157.1 | -80.7 | -173 | 160.4 | 0 | 0 | 108.5 | C685 N689 | C685-E687 PolarHBondContact O-N 2.83Å; E687-N689 PolarHBondContact O-N 3.24Å; E687-N689 VanDerWaalsContact O-N 3.12Å | ||
| 688 | M | 26.7 | Very low | 29.6 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 62% | 0.616 | 61% | 0.614 | S | S | * | * | trans | -69 | 99.9 | 165.6 | -76.5 | -178.3 | 56.8 | 0 | 0 | 108.3 | I686 P690 | I686-M688 HydrophobicContact CG2-CG 3.84Å; I686-M688 PolarHBondContact O-N 3.45Å; M688-P690 VanDerWaalsContact O-CD 3.26Å; M688-P690 WeakPolarHBondContact O-CD 3.24Å | ||
| 689 | N | 26.4 | Very low | 30.3 | Very low | 145 Ų | 145 | 108.1 Ų | 108.1 | 78% | 0.775 | 60% | 0.595 | S | S | * | * | trans | -68.8 | 112.3 | 170.8 | -159.6 | -4.7 | 0 | 0 | 0 | 109.1 | E687 G691 | E687-N689 PolarHBondContact O-N 3.24Å; E687-N689 VanDerWaalsContact O-N 3.12Å; N689-G691 VanDerWaalsContact C-N 3.3Å; N689-G691 PolarHBondContact O-N 2.94Å | ||
| 690 | P | 26.5 | Very low | 31 | Very low | 76 Ų | 76 | 104.4 Ų | 104.4 | 49% | 0.494 | 59% | 0.589 | S | S | . | * | trans | -90.4 | 33.2 | -166.7 | 36.1 | -32.6 | 0 | 0 | 0 | 113.7 | M688 F692 | M688-P690 VanDerWaalsContact O-CD 3.26Å; M688-P690 WeakPolarHBondContact O-CD 3.24Å; P690-F692 VanDerWaalsContact C-N 3.34Å; P690-F692 PolarHBondContact O-N 3.11Å | ||
| 691 | G | 26.8 | Very low | 32.1 | Very low | 63 Ų | 63 | 101.3 Ų | 101.3 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | trans | -82.5 | 62.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N689 | N689-G691 VanDerWaalsContact C-N 3.3Å; N689-G691 PolarHBondContact O-N 2.94Å | ||
| 692 | F | 35.5 | Very low | 34 | Very low | 48 Ų | 48 | 99 Ų | 99 | 21% | 0.211 | 56% | 0.56 | C | S | . | * | trans | -95.1 | 102 | 177.4 | -74.1 | -86.9 | 0 | 0 | 0 | 112 | P690 Y694 I978 F981 | P690-F692 VanDerWaalsContact C-N 3.34Å; P690-F692 PolarHBondContact O-N 3.11Å; F692-Y694 HydrophobicContact CB-CD2 4.25Å; F692-Y694 HydrophobicContact CB-CE2 3.59Å; F692-Y694 WeakPolarHBondContact O-CD2 3.34Å; F692-Y694 PolarHBondContact O-N 3Å; F692-I978 HydrophobicContact CE1-CB 4.33Å; F692-I978 HydrophobicContact CE1-CG1 4.03Å; F692-I978 HydrophobicContact CE1-CG2 3.57Å; F692-I978 HydrophobicContact CZ-CB 4.43Å; F692-I978 HydrophobicContact CZ-CD1 3.9Å; F692-I978 HydrophobicContact CZ-CG1 3.93Å; F692-I978 HydrophobicContact CZ-CG2 3.66Å; F692-F981 HydrophobicContact CD1-CB 4.45Å; F692-F981 HydrophobicContact CD1-CD2 4.44Å; F692-F981 HydrophobicContact CE1-CD2 4.23Å | ||
| 693 | I | 28.6 | Very low | 36 | Very low | 97 Ų | 97 | 93 Ų | 93 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | trans | -82.9 | 103.5 | -177.4 | -56.3 | 172.3 | 0 | 0 | 0 | 110.1 | A699 | I693-A699 HydrophobicContact CG2-CB 4.2Š| ||
| 694 | Y | 37.8 | Very low | 38.2 | Very low | 55 Ų | 55 | 93.8 Ų | 93.8 | 22% | 0.216 | 53% | 0.534 | C | S | . | . | trans | -99.7 | 116.2 | 172.3 | -65.5 | -80 | 0 | 0 | 0 | 110.4 | F692 F981 | F692-Y694 HydrophobicContact CB-CD2 4.25Å; F692-Y694 HydrophobicContact CB-CE2 3.59Å; F692-Y694 WeakPolarHBondContact O-CD2 3.34Å; F692-Y694 PolarHBondContact O-N 3Å; Y694-F981 HydrophobicContact CE1-CD1 4.18Å; Y694-F981 AromaticContact CE1-CE1 3.94Å; Y694-F981 HydrophobicContact CE1-CE1 3.94Å | ||
| 695 | S | 36.5 | Very low | 40.5 | Very low | 40 Ų | 40 | 90.9 Ų | 90.9 | 28% | 0.28 | 52% | 0.515 | S | S | . | . | trans | 71.1 | 99.7 | -174.6 | -165.8 | 0 | 0 | 0 | 0 | 115.3 | M697 L698 A699 | S695-M697 PolarHBondContact O-N 3Å; S695-M697 VanDerWaalsContact O-N 3.11Å; S695-L698 PolarHBondContact O-N 3.45Å; S695-A699 PolarHBondContact O-N 3.42Å | ||
| 696 | T | 36.3 | Very low | 42.6 | Very low | 77 Ų | 77 | 85.7 Ų | 85.7 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19 | 172.9 | 30.6 | 0 | 0 | 0 | 0 | 113.8 | L698 | T696-L698 VanDerWaalsContact C-N 3.35Š|
| 697 | M | 37.8 | Very low | 45.3 | Very low | 101 Ų | 101 | 80 Ų | 80 | 50% | 0.498 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19.2 | 173.3 | -81.1 | -121.1 | -114.1 | 0 | 0 | 113.6 | S695 F898 I1050 | S695-M697 PolarHBondContact O-N 3Å; S695-M697 VanDerWaalsContact O-N 3.11Å; M697-F898 HydrophobicContact CE-CE2 4Å; M697-F898 HydrophobicContact CE-CZ 3.71Å; M697-I1050 WeakPolarHBondContact CE-O 3.42Å; M697-I1050 HydrophobicContact CG-CG2 4.3Å |
| 698 | L | 40.6 | Very low | 48.1 | Very low | 29 Ų | 29 | 74.5 Ų | 74.5 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -15.5 | -179.4 | -73.3 | -179.8 | 0 | 0 | 0 | 112.9 | S695 T696 A700 F701 Q706 R709 | S695-L698 PolarHBondContact O-N 3.45Å; T696-L698 VanDerWaalsContact C-N 3.35Å; L698-A700 PolarHBondContact O-N 3.1Å; L698-A700 VanDerWaalsContact O-N 3.1Å; L698-F701 HydrophobicContact CD2-CD2 4.32Å; L698-F701 WeakPolarHBondContact O-CB 3.03Å; L698-F701 PolarHBondContact O-N 3.49Å; L698-Q706 HydrophobicContact CB-CB 4.28Å; L698-Q706 HydrophobicContact CB-CG 3.82Å; L698-Q706 HydrophobicContact CD1-CB 4.25Å; L698-Q706 WeakPolarHBondContact O-CG 3.21Å; L698-Q706 PolarHBondContact O-NE2 3.23Å; L698-R709 HydrophobicContact CD2-CB 4.06Å |
| 699 | A | 41.7 | Very low | 50.6 | Low | 57 Ų | 57 | 73.8 Ų | 73.8 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I693 S695 F701 | I693-A699 HydrophobicContact CG2-CB 4.2Å; S695-A699 PolarHBondContact O-N 3.42Å; A699-F701 VanDerWaalsContact C-N 3.26Å; A699-F701 PolarHBondContact O-N 3.41Å |
| 700 | A | 41.8 | Very low | 53.1 | Low | 91 Ų | 91 | 68.2 Ų | 68.2 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L698 | L698-A700 PolarHBondContact O-N 3.1Å; L698-A700 VanDerWaalsContact O-N 3.1Å |
| 701 | F | 48.9 | Very low | 55.8 | Low | 59 Ų | 59 | 65.4 Ų | 65.4 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -107.7 | 146.2 | -176.3 | -60.8 | -73.8 | 0 | 0 | 0 | 110.2 | L698 A699 Q705 Q706 R709 | L698-F701 HydrophobicContact CD2-CD2 4.32Å; L698-F701 WeakPolarHBondContact O-CB 3.03Å; L698-F701 PolarHBondContact O-N 3.49Å; A699-F701 VanDerWaalsContact C-N 3.26Å; A699-F701 PolarHBondContact O-N 3.41Å; F701-Q705 HydrophobicContact CB-CB 3.71Å; F701-Q705 HydrophobicContact CD1-CB 4.43Å; F701-Q705 HydrophobicContact CG-CB 4.42Å; F701-Q706 HydrophobicContact CB-CG 4.12Å; F701-Q706 PolarHBondContact O-NE2 2.91Å; F701-R709 VanDerWaalsContact CZ-CZ 3.44Å |
| 702 | S | 68.2 | Low | 58.8 | Low | 62 Ų | 62 | 62.4 Ų | 62.4 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | trans | -57.5 | 151.8 | 172.1 | 71.1 | 0 | 0 | 0 | 0 | 110.3 | E704 Q705 Q706 | S702-E704 PolarHBondContact O-N 2.92Å; S702-Q705 WeakPolarHBondContact O-CA 3.37Å; S702-Q705 WeakPolarHBondContact O-CB 3.44Å; S702-Q705 PolarHBondContact O-N 3.28Å; S702-Q705 WeakPolarHBondContact OG-CG 3.48Å; S702-Q705 PolarHBondContact OG-N 3.39Å; S702-Q706 WeakPolarHBondContact O-CG 3.26Å; S702-Q706 PolarHBondContact O-N 2.89Å | ||
| 703 | L | 70.7 | Confident | 61.4 | Low | 66 Ų | 66 | 65 Ų | 65 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -49.5 | -37.4 | -179.1 | -76.5 | 167.4 | 0 | 0 | 0 | 112.6 | Q706 R707 E778 | L703-Q706 WeakPolarHBondContact O-CB 3.29Å; L703-Q706 PolarHBondContact O-N 3.02Å; L703-R707 WeakPolarHBondContact O-CG 3.35Å; L703-R707 PolarHBondContact O-N 3.46Å; L703-E778 HydrophobicContact CD2-CG 4.32Å |
| 704 | E | 72.6 | Confident | 64.3 | Low | 146 Ų | 146 | 68 Ų | 68 | 68% | 0.682 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.4 | -47.1 | 175.7 | -171.2 | 173.6 | -167.7 | 0 | 0 | 112.7 | S702 Q706 R707 V708 | S702-E704 PolarHBondContact O-N 2.92Å; E704-Q706 VanDerWaalsContact C-N 3.27Å; E704-Q706 PolarHBondContact O-N 3.07Å; E704-R707 WeakPolarHBondContact O-CB 3.29Å; E704-R707 PolarHBondContact O-N 3.11Å; E704-R707 VanDerWaalsContact O-N 3.15Å; E704-V708 WeakPolarHBondContact O-CG2 3.14Å; E704-V708 PolarHBondContact O-N 3.47Å; E704-V708 VanDerWaalsContact O-N 3.11Å |
| 705 | Q | 73.7 | Confident | 66.8 | Low | 95 Ų | 95 | 68.3 Ų | 68.3 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 174.5 | -72.1 | 173.2 | -15.4 | 0 | 0 | 112.1 | F701 S702 R709 | F701-Q705 HydrophobicContact CB-CB 3.71Å; F701-Q705 HydrophobicContact CD1-CB 4.43Å; F701-Q705 HydrophobicContact CG-CB 4.42Å; S702-Q705 WeakPolarHBondContact O-CA 3.37Å; S702-Q705 WeakPolarHBondContact O-CB 3.44Å; S702-Q705 PolarHBondContact O-N 3.28Å; S702-Q705 WeakPolarHBondContact OG-CG 3.48Å; S702-Q705 PolarHBondContact OG-N 3.39Å; Q705-R709 WeakPolarHBondContact O-CD 3.44Å; Q705-R709 VanDerWaalsContact O-CG 3.29Å; Q705-R709 WeakPolarHBondContact O-CG 3.43Å; Q705-R709 PolarHBondContact O-N 3.2Å |
| 706 | Q | 69.7 | Low | 69.5 | Low | 21 Ų | 21 | 69.4 Ų | 69.4 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 172.7 | -56.7 | -176.1 | 7.9 | 0 | 0 | 111 | L698 F701 S702 L703 E704 R709 L710 | L698-Q706 HydrophobicContact CB-CB 4.28Å; L698-Q706 HydrophobicContact CB-CG 3.82Å; L698-Q706 HydrophobicContact CD1-CB 4.25Å; L698-Q706 WeakPolarHBondContact O-CG 3.21Å; L698-Q706 PolarHBondContact O-NE2 3.23Å; F701-Q706 HydrophobicContact CB-CG 4.12Å; F701-Q706 PolarHBondContact O-NE2 2.91Å; S702-Q706 WeakPolarHBondContact O-CG 3.26Å; S702-Q706 PolarHBondContact O-N 2.89Å; L703-Q706 WeakPolarHBondContact O-CB 3.29Å; L703-Q706 PolarHBondContact O-N 3.02Å; E704-Q706 VanDerWaalsContact C-N 3.27Å; E704-Q706 PolarHBondContact O-N 3.07Å; Q706-R709 PolarHBondContact O-N 3.42Å; Q706-L710 PolarHBondContact O-N 3.35Å |
| 707 | R | 80.6 | Confident | 72.2 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 15% | 0.151 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 179.3 | -71.6 | 175.1 | 67.6 | -165.1 | -4 | 112.4 | L703 E704 R709 L710 E749 E778 | L703-R707 WeakPolarHBondContact O-CG 3.35Å; L703-R707 PolarHBondContact O-N 3.46Å; E704-R707 WeakPolarHBondContact O-CB 3.29Å; E704-R707 PolarHBondContact O-N 3.11Å; E704-R707 VanDerWaalsContact O-N 3.15Å; R707-R709 PolarHBondContact O-N 2.95Å; R707-L710 WeakPolarHBondContact O-CB 3.27Å; R707-L710 PolarHBondContact O-N 2.96Å; R707-E749 IonicContact CZ-OE1 3.79Å; R707-E749 IonicContact NH2-OE1 3.09Å; R707-E749 PolarHBondContact NH2-OE1 3.3Å; R707-E778 IonicContact NE-OE2 3.63Å |
| 708 | V | 82.5 | Confident | 74.9 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.8 | -27.7 | -179.6 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | E704 Y713 | E704-V708 WeakPolarHBondContact O-CG2 3.14Å; E704-V708 PolarHBondContact O-N 3.47Å; E704-V708 VanDerWaalsContact O-N 3.11Å; V708-Y713 HydrophobicContact CG1-CD1 4.17Å; V708-Y713 HydrophobicContact CG1-CE1 3.96Å; V708-Y713 HydrophobicContact CG2-CE1 4.47Å; V708-Y713 HydrophobicContact CG2-CE2 3.99Å |
| 709 | R | 79 | Confident | 77.5 | Confident | 111 Ų | 111 | 67.1 Ų | 67.1 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -85.1 | -11.5 | -177.8 | -72 | 174.8 | 175.3 | -150 | 2.3 | 114.3 | L698 F701 Q705 Q706 R707 R896 | L698-R709 HydrophobicContact CD2-CB 4.06Å; F701-R709 VanDerWaalsContact CZ-CZ 3.44Å; Q705-R709 WeakPolarHBondContact O-CD 3.44Å; Q705-R709 VanDerWaalsContact O-CG 3.29Å; Q705-R709 WeakPolarHBondContact O-CG 3.43Å; Q705-R709 PolarHBondContact O-N 3.2Å; Q706-R709 PolarHBondContact O-N 3.42Å; R707-R709 PolarHBondContact O-N 2.95Å; R709-R896 PolarHBondContact O-NH1 2.9Å |
| 710 | L | 80 | Confident | 80 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -66 | 135.9 | 176.1 | -68.3 | 172.4 | 0 | 0 | 0 | 110.1 | Q706 R707 I712 Y713 Q742 | Q706-L710 PolarHBondContact O-N 3.35Å; R707-L710 WeakPolarHBondContact O-CB 3.27Å; R707-L710 PolarHBondContact O-N 2.96Å; L710-I712 HydrophobicContact CB-CG2 4.3Å; L710-I712 PolarHBondContact O-N 2.98Å; L710-I712 VanDerWaalsContact O-N 3.1Å; L710-Y713 VanDerWaalsContact O-CB 3.28Å; L710-Y713 WeakPolarHBondContact O-CB 3.29Å; L710-Y713 PolarHBondContact O-N 2.88Å; L710-Q742 HydrophobicContact CD1-CG 3.6Å |
| 711 | P | 83.3 | Confident | 82.6 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 10% | 0.104 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -52.9 | -35.1 | -177.9 | -27.1 | 32.4 | 0 | 0 | 0 | 114.3 | Y713 Y715 C737 V893 R896 | P711-Y713 PolarHBondContact O-N 2.72Å; P711-Y715 WeakPolarHBondContact O-CD2 3.41Å; P711-C737 HydrophobicContact CB-CB 4.14Å; P711-C737 HydrophobicContact CG-CB 4.18Å; P711-V893 HydrophobicContact CB-CG1 4.37Å; P711-R896 HydrophobicContact CG-CB 4.3Å; P711-R896 HydrophobicContact CG-CG 4.03Å |
| 712 | I | 89 | Confident | 84.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -64.8 | -23.3 | -179.6 | -160.7 | 164.4 | 0 | 0 | 0 | 114 | L710 K714 Y715 R716 I719 L731 C737 K739 Q742 V743 V893 | L710-I712 HydrophobicContact CB-CG2 4.3Å; L710-I712 PolarHBondContact O-N 2.98Å; L710-I712 VanDerWaalsContact O-N 3.1Å; I712-K714 PolarHBondContact O-N 3.39Å; I712-Y715 PolarHBondContact O-N 2.96Å; I712-R716 PolarHBondContact O-N 2.78Å; I712-I719 HydrophobicContact CD1-CD1 4.04Å; I712-I719 HydrophobicContact CG1-CD1 3.81Å; I712-L731 HydrophobicContact CD1-CD2 4.17Å; I712-C737 VanDerWaalsContact CB-O 3.29Å; I712-C737 WeakPolarHBondContact CB-O 3.36Å; I712-C737 VanDerWaalsContact CG2-O 3.26Å; I712-C737 WeakPolarHBondContact CG2-O 3.39Å; I712-C737 PolarHBondContact N-O 3.19Å; I712-C737 VanDerWaalsContact N-O 3.13Å; I712-K739 VanDerWaalsContact CD1-CA 3.49Å; I712-K739 HydrophobicContact CD1-CB 4.22Å; I712-K739 HydrophobicContact CD1-CG 3.98Å; I712-Q742 HydrophobicContact CG2-CB 3.83Å; I712-Q742 HydrophobicContact CG2-CG 3.82Å; I712-V743 HydrophobicContact CD1-CG2 3.41Å; I712-V743 VanDerWaalsContact CD1-CG2 3.41Å; I712-V893 HydrophobicContact CG1-CG2 4.46Å |
| 713 | Y | 89.7 | Confident | 86 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -57.8 | -38 | -177.4 | -174.5 | -92 | 0 | 0 | 0 | 112.1 | V708 L710 P711 Y715 R716 Y746 | V708-Y713 HydrophobicContact CG1-CD1 4.17Å; V708-Y713 HydrophobicContact CG1-CE1 3.96Å; V708-Y713 HydrophobicContact CG2-CE1 4.47Å; V708-Y713 HydrophobicContact CG2-CE2 3.99Å; L710-Y713 VanDerWaalsContact O-CB 3.28Å; L710-Y713 WeakPolarHBondContact O-CB 3.29Å; L710-Y713 PolarHBondContact O-N 2.88Å; P711-Y713 PolarHBondContact O-N 2.72Å; Y713-Y715 PolarHBondContact O-N 3.06Å; Y713-Y715 VanDerWaalsContact O-N 3.13Å; Y713-R716 WeakPolarHBondContact O-CB 3.49Å; Y713-R716 PolarHBondContact O-N 2.88Å; Y713-Y746 WeakPolarHBondContact CA-OH 3.29Å |
| 714 | K | 89.8 | Confident | 87 | Confident | 160 Ų | 160 | 66.8 Ų | 66.8 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -59.4 | -25.1 | 176.1 | -63 | -176.7 | 177.9 | -173.1 | 0 | 113.5 | I712 | I712-K714 PolarHBondContact O-N 3.39Š|
| 715 | Y | 91.5 | Very high | 88 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -102.1 | 2.7 | -174.7 | -59.4 | -83.9 | 0 | 0 | 0 | 113 | P711 I712 Y713 N717 A718 I719 V893 | P711-Y715 WeakPolarHBondContact O-CD2 3.41Å; I712-Y715 PolarHBondContact O-N 2.96Å; Y713-Y715 PolarHBondContact O-N 3.06Å; Y713-Y715 VanDerWaalsContact O-N 3.13Å; Y715-N717 PolarHBondContact O-N 3.36Å; Y715-A718 PolarHBondContact O-N 3.19Å; Y715-I719 WeakPolarHBondContact O-CG1 3.36Å; Y715-I719 PolarHBondContact O-N 3.39Å; Y715-V893 HydrophobicContact CD2-CB 4.43Å; Y715-V893 HydrophobicContact CD2-CG1 3.84Å; Y715-V893 HydrophobicContact CD2-CG2 4.17Å; Y715-V893 HydrophobicContact CE2-CB 4.46Å; Y715-V893 HydrophobicContact CE2-CG1 3.86Å; Y715-V893 HydrophobicContact CG-CG2 4.4Å |
| 716 | R | 92.6 | Very high | 89 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -46.3 | -55.4 | -178.3 | 177.4 | 177.8 | -174.1 | -80.9 | 3.9 | 113 | I712 Y713 A718 I719 L720 Y746 E749 | I712-R716 PolarHBondContact O-N 2.78Å; Y713-R716 WeakPolarHBondContact O-CB 3.49Å; Y713-R716 PolarHBondContact O-N 2.88Å; R716-A718 VanDerWaalsContact C-N 3.34Å; R716-A718 PolarHBondContact O-N 3.45Å; R716-I719 PolarHBondContact O-N 2.91Å; R716-L720 HydrophobicContact CG-CD1 4.47Å; R716-L720 WeakPolarHBondContact O-CG 3.4Å; R716-L720 PolarHBondContact O-N 3.06Å; R716-Y746 HydrophobicContact CB-CD2 4.02Å; R716-Y746 HydrophobicContact CB-CE2 3.83Å; R716-Y746 HydrophobicContact CB-CG 4.44Å; R716-Y746 HydrophobicContact CG-CD1 3.89Å; R716-Y746 HydrophobicContact CG-CD2 3.77Å; R716-Y746 HydrophobicContact CG-CE1 4.15Å; R716-Y746 HydrophobicContact CG-CE2 4.02Å; R716-Y746 HydrophobicContact CG-CG 3.71Å; R716-E749 IonicContact CZ-OE2 2.88Å; R716-E749 IonicContact NE-OE2 2.9Å; R716-E749 PolarHBondContact NE-OE2 3.29Å; R716-E749 IonicContact NH2-OE2 2.77Å; R716-E749 PolarHBondContact NH2-OE2 2.8Å |
| 717 | N | 93.7 | Very high | 90.2 | Very high | 118 Ų | 118 | 62.8 Ų | 62.8 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.7 | -35 | -176.8 | -66.1 | -13.5 | 0 | 0 | 0 | 112.2 | Y715 L720 Y721 | Y715-N717 PolarHBondContact O-N 3.36Å; N717-L720 PolarHBondContact O-N 3.42Å; N717-Y721 WeakPolarHBondContact O-CB 3.38Å; N717-Y721 PolarHBondContact O-N 3.13Å |
| 718 | A | 93.7 | Very high | 91 | Very high | 41 Ų | 41 | 61 Ų | 61 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y715 R716 Y721 L722 M891 | Y715-A718 PolarHBondContact O-N 3.19Å; R716-A718 VanDerWaalsContact C-N 3.34Å; R716-A718 PolarHBondContact O-N 3.45Å; A718-Y721 PolarHBondContact O-N 2.72Å; A718-L722 WeakPolarHBondContact O-CG 3.36Å; A718-L722 PolarHBondContact O-N 3.05Å; A718-M891 VanDerWaalsContact C-CE 3.42Å; A718-M891 HydrophobicContact CB-CE 3.46Å; A718-M891 VanDerWaalsContact CB-CE 3.46Å |
| 719 | I | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 173.8 | -68 | 166.5 | 0 | 0 | 0 | 110.2 | I712 Y715 R716 L722 L723 L729 V743 M891 | I712-I719 HydrophobicContact CD1-CD1 4.04Å; I712-I719 HydrophobicContact CG1-CD1 3.81Å; Y715-I719 WeakPolarHBondContact O-CG1 3.36Å; Y715-I719 PolarHBondContact O-N 3.39Å; R716-I719 PolarHBondContact O-N 2.91Å; I719-L722 PolarHBondContact O-N 3Å; I719-L723 HydrophobicContact CG2-CD1 3.99Å; I719-L723 WeakPolarHBondContact O-CG 3.38Å; I719-L723 PolarHBondContact O-N 3.14Å; I719-L729 HydrophobicContact CG2-CD2 4.01Å; I719-V743 HydrophobicContact CD1-CG2 4.16Å; I719-V743 HydrophobicContact CG2-CG1 4.36Å; I719-M891 HydrophobicContact CD1-SD 4.44Å; I719-M891 HydrophobicContact CG1-CE 4.06Å; I719-M891 HydrophobicContact CG1-SD 3.54Å; I719-M891 VanDerWaalsContact CG1-SD 3.54Å |
| 720 | L | 95.2 | Very high | 92.4 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 178.7 | -66.4 | 174 | 0 | 0 | 0 | 111.7 | R716 N717 L722 L723 E724 L747 A750 | R716-L720 HydrophobicContact CG-CD1 4.47Å; R716-L720 WeakPolarHBondContact O-CG 3.4Å; R716-L720 PolarHBondContact O-N 3.06Å; N717-L720 PolarHBondContact O-N 3.42Å; L720-L722 PolarHBondContact O-N 3.26Å; L720-L723 PolarHBondContact O-N 3.3Å; L720-E724 PolarHBondContact O-N 3.08Å; L720-L747 HydrophobicContact CD2-CD2 4.23Å; L720-A750 HydrophobicContact CD1-CB 3.94Å; L720-A750 HydrophobicContact CD2-CB 3.7Å; L720-A750 HydrophobicContact CG-CB 4.47Å |
| 721 | Y | 95.8 | Very high | 93 | Very high | 134 Ų | 134 | 51 Ų | 51 | 53% | 0.525 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | 176.8 | 173.4 | -100.9 | 0 | 0 | 0 | 112.7 | N717 A718 L723 E724 K725 | N717-Y721 WeakPolarHBondContact O-CB 3.38Å; N717-Y721 PolarHBondContact O-N 3.13Å; A718-Y721 PolarHBondContact O-N 2.72Å; Y721-L723 VanDerWaalsContact C-N 3.33Å; Y721-L723 PolarHBondContact O-N 3.09Å; Y721-E724 PolarHBondContact O-N 3.02Å; Y721-K725 HydrophobicContact CE1-CD 4.37Å; Y721-K725 PolarHBondContact O-N 3.28Å |
| 722 | L | 95 | Very high | 93.2 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -33 | 179.3 | -70.1 | -171.9 | 0 | 0 | 0 | 112.3 | A718 I719 L720 K725 Y726 L729 T889 M891 | A718-L722 WeakPolarHBondContact O-CG 3.36Å; A718-L722 PolarHBondContact O-N 3.05Å; I719-L722 PolarHBondContact O-N 3Å; L720-L722 PolarHBondContact O-N 3.26Å; L722-K725 PolarHBondContact O-N 3.05Å; L722-Y726 HydrophobicContact CD2-CD2 4.13Å; L722-Y726 HydrophobicContact CD2-CE2 3.94Å; L722-Y726 WeakPolarHBondContact O-CA 3.42Å; L722-Y726 WeakPolarHBondContact O-CB 3.49Å; L722-Y726 PolarHBondContact O-N 3.14Å; L722-L729 HydrophobicContact CB-CD1 4.12Å; L722-L729 HydrophobicContact CB-CD2 4.49Å; L722-L729 HydrophobicContact CD1-CD1 3.69Å; L722-T889 HydrophobicContact CB-CG2 4.24Å; L722-T889 HydrophobicContact CD1-CG2 3.89Å; L722-T889 HydrophobicContact CD2-CG2 4.26Å; L722-T889 HydrophobicContact CG-CG2 4.37Å; L722-M891 HydrophobicContact CD1-CB 3.98Å; L722-M891 HydrophobicContact CD1-CE 3.55Å; L722-M891 HydrophobicContact CG-CE 4.18Å |
| 723 | L | 93.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.5 | -24.8 | 175.1 | -74.9 | 168.7 | 0 | 0 | 0 | 113.4 | I719 L720 Y721 Y726 L729 L747 R858 I860 | I719-L723 HydrophobicContact CG2-CD1 3.99Å; I719-L723 WeakPolarHBondContact O-CG 3.38Å; I719-L723 PolarHBondContact O-N 3.14Å; L720-L723 PolarHBondContact O-N 3.3Å; Y721-L723 VanDerWaalsContact C-N 3.33Å; Y721-L723 PolarHBondContact O-N 3.09Å; L723-Y726 VanDerWaalsContact O-O 3.13Å; L723-L729 HydrophobicContact CD1-CD2 4.4Å; L723-L729 HydrophobicContact CD2-CB 3.71Å; L723-L729 HydrophobicContact CD2-CD2 4.4Å; L723-L729 HydrophobicContact CG-CB 4.22Å; L723-L729 HydrophobicContact CG-CD2 4.05Å; L723-L747 HydrophobicContact CD1-CD2 3.76Å; L723-R858 HydrophobicContact CD2-CB 4.42Å; L723-R858 VanDerWaalsContact O-CD 3.31Å; L723-R858 WeakPolarHBondContact O-CD 3.31Å; L723-R858 PolarHBondContact O-NE 3.12Å; L723-I860 HydrophobicContact CD1-CD1 3.58Å; L723-I860 HydrophobicContact CD1-CG1 3.95Å; L723-I860 HydrophobicContact CD2-CD1 4.32Å; L723-I860 HydrophobicContact CD2-CG1 3.75Å; L723-I860 HydrophobicContact CG-CG1 4.44Å |
| 724 | E | 92.9 | Very high | 91.9 | Very high | 138 Ų | 138 | 50.5 Ų | 50.5 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.1 | -45.5 | 169.6 | -168.5 | 173.7 | -170.4 | 0 | 0 | 110.5 | L720 Y721 | L720-E724 PolarHBondContact O-N 3.08Å; Y721-E724 PolarHBondContact O-N 3.02Å |
| 725 | K | 93 | Very high | 91.2 | Very high | 125 Ų | 125 | 44.6 Ų | 44.6 | 54% | 0.543 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -75.3 | -43.3 | -177.8 | -176.6 | 172.6 | 177.5 | 177.8 | 0 | 114.4 | Y721 L722 | Y721-K725 HydrophobicContact CE1-CD 4.37Å; Y721-K725 PolarHBondContact O-N 3.28Å; L722-K725 PolarHBondContact O-N 3.05Å |
| 726 | Y | 94.7 | Very high | 90.2 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 15% | 0.153 | 23% | 0.227 | C | C | . | . | trans | -113.5 | 144.3 | -175 | -60.9 | -82 | 0 | 0 | 0 | 110.8 | L722 L723 T728 D886 T889 | L722-Y726 HydrophobicContact CD2-CD2 4.13Å; L722-Y726 HydrophobicContact CD2-CE2 3.94Å; L722-Y726 WeakPolarHBondContact O-CA 3.42Å; L722-Y726 WeakPolarHBondContact O-CB 3.49Å; L722-Y726 PolarHBondContact O-N 3.14Å; L723-Y726 VanDerWaalsContact O-O 3.13Å; Y726-T728 VanDerWaalsContact C-N 3.31Å; Y726-T728 PolarHBondContact O-N 3.03Å; Y726-D886 VanDerWaalsContact CD1-O 3.25Å; Y726-D886 WeakPolarHBondContact CD1-O 3.43Å; Y726-D886 HydrophobicContact CE1-CB 4.24Å; Y726-D886 WeakPolarHBondContact CE1-O 3.43Å; Y726-T889 HydrophobicContact CD2-CG2 3.38Å; Y726-T889 HydrophobicContact CE2-CG2 3.81Å; Y726-T889 HydrophobicContact CG-CG2 3.8Å | ||
| 727 | Q | 94.8 | Very high | 89.5 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -69.8 | -32.5 | 177.3 | -160.1 | -176.1 | 7.3 | 0 | 0 | 111.8 | L851 R854 L857 R858 L859 T887 | Q727-L851 HydrophobicContact CG-CD2 4.01Å; Q727-L851 PolarHBondContact NE2-O 2.95Å; Q727-R854 PolarHBondContact NE2-O 3.17Å; Q727-L857 VanDerWaalsContact CG-O 3.3Å; Q727-L857 WeakPolarHBondContact CG-O 3.32Å; Q727-L857 PolarHBondContact NE2-O 2.84Å; Q727-R858 WeakPolarHBondContact O-CA 3.29Å; Q727-L859 PolarHBondContact O-N 3.31Å; Q727-T887 PolarHBondContact N-O 3.24Å; Q727-T887 VanDerWaalsContact N-O 3.11Å |
| 728 | T | 96.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.6 | 180 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | Y726 L859 V861 F875 T887 A888 T889 | Y726-T728 VanDerWaalsContact C-N 3.31Å; Y726-T728 PolarHBondContact O-N 3.03Å; T728-L859 CarbonylContact C-O 3.48Å; T728-L859 VanDerWaalsContact CA-O 3.28Å; T728-L859 WeakPolarHBondContact CA-O 3.36Å; T728-L859 HydrophobicContact CG2-CB 4.14Å; T728-L859 HydrophobicContact CG2-CD2 3.94Å; T728-L859 HydrophobicContact CG2-CG 4.06Å; T728-V861 HydrophobicContact CG2-CG2 4.45Å; T728-F875 HydrophobicContact CG2-CB 3.8Å; T728-F875 HydrophobicContact CG2-CD2 4.3Å; T728-F875 HydrophobicContact CG2-CG 4.04Å; T728-T887 PolarHBondContact N-O 3.31Å; T728-A888 HydrophobicContact CG2-CB 4.45Å; T728-A888 VanDerWaalsContact O-CA 3.3Å; T728-A888 WeakPolarHBondContact O-CA 3.48Å; T728-T889 PolarHBondContact O-N 3.1Å; T728-T889 VanDerWaalsContact O-N 3.1Å |
| 729 | L | 96.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.3 | 172.2 | 176.6 | 61.7 | 0 | 0 | 0 | 110.4 | I719 L722 L723 L859 I860 V861 T889 M891 | I719-L729 HydrophobicContact CG2-CD2 4.01Å; L722-L729 HydrophobicContact CB-CD1 4.12Å; L722-L729 HydrophobicContact CB-CD2 4.49Å; L722-L729 HydrophobicContact CD1-CD1 3.69Å; L723-L729 HydrophobicContact CD1-CD2 4.4Å; L723-L729 HydrophobicContact CD2-CB 3.71Å; L723-L729 HydrophobicContact CD2-CD2 4.4Å; L723-L729 HydrophobicContact CG-CB 4.22Å; L723-L729 HydrophobicContact CG-CD2 4.05Å; L729-L859 PolarHBondContact N-O 3.25Å; L729-I860 CarbonylContact O-C 3.59Å; L729-I860 VanDerWaalsContact O-CA 3.31Å; L729-I860 WeakPolarHBondContact O-CA 3.46Å; L729-V861 PolarHBondContact O-N 3.06Å; L729-T889 HydrophobicContact CD1-CG2 3.75Å; L729-M891 HydrophobicContact CD1-CB 3.89Å |
| 730 | V | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.8 | 169.6 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | V861 A868 F871 R872 T889 I890 M891 | V730-V861 CarbonylContact C-O 3.18Å; V730-V861 WeakPolarHBondContact CA-O 3.46Å; V730-A868 HydrophobicContact CG1-CB 3.63Å; V730-F871 HydrophobicContact CG1-CB 4.11Å; V730-F871 HydrophobicContact CG2-CB 3.95Å; V730-R872 HydrophobicContact CG2-CB 4.37Å; V730-T889 PolarHBondContact N-O 3.32Å; V730-I890 HydrophobicContact CB-CG1 4.06Å; V730-I890 HydrophobicContact CG1-CG1 4.48Å; V730-I890 WeakPolarHBondContact O-CA 3.19Å; V730-M891 PolarHBondContact O-N 2.9Å |
| 731 | L | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 105.2 | -175.8 | -173.4 | 66.6 | 0 | 0 | 0 | 110.6 | I712 K739 V743 I860 V861 S862 S863 M891 V893 | I712-L731 HydrophobicContact CD1-CD2 4.17Å; L731-K739 HydrophobicContact CD2-CB 4.21Å; L731-K739 HydrophobicContact CD2-CD 4.04Å; L731-K739 HydrophobicContact CD2-CG 3.96Å; L731-K739 HydrophobicContact CG-CD 4.11Å; L731-K739 HydrophobicContact CG-CG 4.49Å; L731-V743 HydrophobicContact CD2-CG2 3.91Å; L731-I860 HydrophobicContact CB-CG2 4.29Å; L731-V861 PolarHBondContact N-O 3.27Å; L731-S862 WeakPolarHBondContact O-CA 3.47Å; L731-S863 PolarHBondContact O-N 2.88Å; L731-M891 HydrophobicContact CD1-CB 4.17Å; L731-M891 HydrophobicContact CD1-CG 4.15Å; L731-M891 HydrophobicContact CD1-SD 3.9Å; L731-V893 HydrophobicContact CD1-CG2 3.86Å |
| 732 | L | 88.3 | Confident | 88.1 | Confident | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.8 | 170.8 | -72.2 | 177.9 | 0 | 0 | 0 | 110.3 | S863 T865 A868 I890 M891 S892 V893 | L732-S863 WeakPolarHBondContact CA-O 3.27Å; L732-T865 WeakPolarHBondContact CD2-O 3.48Å; L732-A868 HydrophobicContact CD1-CB 3.42Å; L732-A868 VanDerWaalsContact CD1-CB 3.42Å; L732-A868 HydrophobicContact CD2-CB 3.66Å; L732-A868 HydrophobicContact CG-CB 3.5Å; L732-I890 HydrophobicContact CD1-CG2 3.93Å; L732-I890 HydrophobicContact CG-CG2 4.27Å; L732-M891 PolarHBondContact N-O 3.28Å; L732-S892 CarbonylContact O-C 3.59Å; L732-S892 WeakPolarHBondContact O-CA 3.45Å; L732-V893 PolarHBondContact O-N 2.95Å |
| 733 | G | 78.8 | Confident | 88.1 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 151.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K739 S863 | G733-K739 WeakPolarHBondContact O-CE 3.22Å; G733-K739 PolarHBondContact O-NZ 3.02Å; G733-S863 PolarHBondContact N-O 3.05Å |
| 734 | E | 73.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 27.3 Ų | 27.3 | 38% | 0.379 | 15% | 0.149 | S | C | . | . | trans | -61.1 | 150.2 | 177.8 | -64 | -177.8 | 164.4 | 0 | 0 | 111.4 | G736 C737 K739 S897 | E734-G736 PolarHBondContact O-N 2.89Å; E734-C737 WeakPolarHBondContact O-CB 3.08Å; E734-C737 PolarHBondContact O-N 3.21Å; E734-C737 PolarHBondContact O-SG 2.91Å; E734-K739 PolarHBondContact O-NZ 3.22Å; E734-K739 VanDerWaalsContact O-NZ 3.14Å; E734-S897 PolarHBondContact OE1-OG 3.29Å; E734-S897 VanDerWaalsContact OE2-CB 3.25Å; E734-S897 WeakPolarHBondContact OE2-CB 2.91Å; E734-S897 PolarHBondContact OE2-OG 3.09Å | ||
| 735 | T | 73.4 | Confident | 88.3 | Confident | 36 Ų | 36 | 20.7 Ų | 20.7 | 22% | 0.221 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 130.2 | 167.7 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | A864 R1049 | T735-A864 HydrophobicContact CG2-CB 4.21Å; T735-R1049 PolarHBondContact OG1-NH2 3.32Å |
| 736 | G | 71.2 | Confident | 88.4 | Confident | 54 Ų | 54 | 14.9 Ų | 14.9 | 56% | 0.557 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -5.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E734 G738 | E734-G736 PolarHBondContact O-N 2.89Å; G736-G738 PolarHBondContact O-N 2.82Å |
| 737 | C | 77.8 | Confident | 88.5 | Confident | 4 Ų | 4 | 13 Ų | 13 | 3% | 0.027 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -74.1 | -10.6 | 175.7 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | P711 I712 E734 K739 V893 | P711-C737 HydrophobicContact CB-CB 4.14Å; P711-C737 HydrophobicContact CG-CB 4.18Å; I712-C737 VanDerWaalsContact CB-O 3.29Å; I712-C737 WeakPolarHBondContact CB-O 3.36Å; I712-C737 VanDerWaalsContact CG2-O 3.26Å; I712-C737 WeakPolarHBondContact CG2-O 3.39Å; I712-C737 PolarHBondContact N-O 3.19Å; I712-C737 VanDerWaalsContact N-O 3.13Å; E734-C737 WeakPolarHBondContact O-CB 3.08Å; E734-C737 PolarHBondContact O-N 3.21Å; E734-C737 PolarHBondContact O-SG 2.91Å; C737-K739 WeakPolarHBondContact SG-CG 3.14Å; C737-V893 HydrophobicContact CB-CG1 4.36Å |
| 738 | G | 82 | Confident | 88.4 | Confident | 8 Ų | 8 | 13.4 Ų | 13.4 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 105 | 13.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G736 T741 Q742 | G736-G738 PolarHBondContact O-N 2.82Å; G738-T741 PolarHBondContact O-OG1 3.43Å; G738-Q742 VanDerWaalsContact O-CB 3.29Å; G738-Q742 WeakPolarHBondContact O-CB 3.45Å; G738-Q742 WeakPolarHBondContact O-CG 3.41Å; G738-Q742 PolarHBondContact O-N 2.86Å |
| 739 | K | 88.4 | Confident | 88.3 | Confident | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.022 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.8 | -63.1 | -177.6 | -55.7 | -175.1 | -58.7 | -68.6 | 0 | 113 | I712 L731 G733 E734 C737 T741 V743 M829 S862 | I712-K739 VanDerWaalsContact CD1-CA 3.49Å; I712-K739 HydrophobicContact CD1-CB 4.22Å; I712-K739 HydrophobicContact CD1-CG 3.98Å; L731-K739 HydrophobicContact CD2-CB 4.21Å; L731-K739 HydrophobicContact CD2-CD 4.04Å; L731-K739 HydrophobicContact CD2-CG 3.96Å; L731-K739 HydrophobicContact CG-CD 4.11Å; L731-K739 HydrophobicContact CG-CG 4.49Å; G733-K739 WeakPolarHBondContact O-CE 3.22Å; G733-K739 PolarHBondContact O-NZ 3.02Å; E734-K739 PolarHBondContact O-NZ 3.22Å; E734-K739 VanDerWaalsContact O-NZ 3.14Å; C737-K739 WeakPolarHBondContact SG-CG 3.14Å; K739-T741 VanDerWaalsContact C-N 3.27Å; K739-T741 PolarHBondContact O-N 2.87Å; K739-V743 VanDerWaalsContact O-CB 3.29Å; K739-V743 WeakPolarHBondContact O-CB 3.25Å; K739-V743 VanDerWaalsContact O-CG2 3.27Å; K739-V743 WeakPolarHBondContact O-CG2 3.39Å; K739-V743 PolarHBondContact O-N 3.33Å; K739-V743 VanDerWaalsContact O-N 3.13Å; K739-M829 HydrophobicContact CB-CE 4.36Å; K739-S862 WeakPolarHBondContact CD-OG 3.27Å; K739-S862 WeakPolarHBondContact CE-OG 3.49Å |
| 740 | S | 90.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 19.4 Ų | 19.4 | 13% | 0.133 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -30.7 | -173.9 | -29.3 | 0 | 0 | 0 | 0 | 112.9 | P744 Y806 D831 | S740-P744 WeakPolarHBondContact O-CD 3.29Å; S740-P744 WeakPolarHBondContact O-CG 3.22Å; S740-Y806 PolarHBondContact O-OH 3.47Å; S740-D831 WeakPolarHBondContact CA-OD2 3.42Å; S740-D831 WeakPolarHBondContact CB-OD2 3.49Å; S740-D831 PolarHBondContact OG-OD2 3.3Å |
| 741 | T | 91 | Very high | 88 | Confident | 21 Ų | 21 | 20.1 Ų | 20.1 | 13% | 0.129 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -88 | -46.2 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | G738 K739 Q745 L771 R774 V775 | G738-T741 PolarHBondContact O-OG1 3.43Å; K739-T741 VanDerWaalsContact C-N 3.27Å; K739-T741 PolarHBondContact O-N 2.87Å; T741-Q745 WeakPolarHBondContact O-CG 3.42Å; T741-Q745 PolarHBondContact O-NE2 3Å; T741-L771 HydrophobicContact CG2-CD2 3.72Å; T741-R774 HydrophobicContact CG2-CG 4.34Å; T741-V775 HydrophobicContact CG2-CG2 4.31Å |
| 742 | Q | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -90.5 | -36.4 | -170.1 | -58.3 | -53.2 | -65.2 | 0 | 0 | 114 | L710 I712 G738 Q745 Y746 E778 | L710-Q742 HydrophobicContact CD1-CG 3.6Å; I712-Q742 HydrophobicContact CG2-CB 3.83Å; I712-Q742 HydrophobicContact CG2-CG 3.82Å; G738-Q742 VanDerWaalsContact O-CB 3.29Å; G738-Q742 WeakPolarHBondContact O-CB 3.45Å; G738-Q742 WeakPolarHBondContact O-CG 3.41Å; G738-Q742 PolarHBondContact O-N 2.86Å; Q742-Q745 WeakPolarHBondContact O-CA 3.32Å; Q742-Q745 WeakPolarHBondContact O-CB 3.43Å; Q742-Q745 PolarHBondContact O-N 3.49Å; Q742-Y746 HydrophobicContact CB-CE1 3.98Å; Q742-Y746 HydrophobicContact CB-CE2 3.84Å; Q742-Y746 WeakPolarHBondContact CB-OH 3.33Å; Q742-Y746 WeakPolarHBondContact O-CD1 3.21Å; Q742-Y746 VanDerWaalsContact O-CG 3.28Å; Q742-Y746 PolarHBondContact O-N 2.95Å; Q742-E778 PolarHBondContact NE2-OE2 3.48Å |
| 743 | V | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | -176.3 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | I712 I719 L731 K739 Q745 Y746 L747 M829 I860 | I712-V743 HydrophobicContact CD1-CG2 3.41Å; I712-V743 VanDerWaalsContact CD1-CG2 3.41Å; I719-V743 HydrophobicContact CD1-CG2 4.16Å; I719-V743 HydrophobicContact CG2-CG1 4.36Å; L731-V743 HydrophobicContact CD2-CG2 3.91Å; K739-V743 VanDerWaalsContact O-CB 3.29Å; K739-V743 WeakPolarHBondContact O-CB 3.25Å; K739-V743 VanDerWaalsContact O-CG2 3.27Å; K739-V743 WeakPolarHBondContact O-CG2 3.39Å; K739-V743 PolarHBondContact O-N 3.33Å; K739-V743 VanDerWaalsContact O-N 3.13Å; V743-Q745 PolarHBondContact O-N 3.01Å; V743-Y746 PolarHBondContact O-N 3.32Å; V743-L747 HydrophobicContact CG1-CD1 4.26Å; V743-L747 WeakPolarHBondContact O-CG 3.44Å; V743-L747 PolarHBondContact O-N 2.69Å; V743-M829 HydrophobicContact CB-SD 4.25Å; V743-M829 HydrophobicContact CG1-SD 4.21Å; V743-I860 HydrophobicContact CG1-CD1 3.62Å |
| 744 | P | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 175.1 | -24.7 | 36.7 | 0 | 0 | 0 | 112.9 | S740 L748 I758 V760 I804 M829 | S740-P744 WeakPolarHBondContact O-CD 3.29Å; S740-P744 WeakPolarHBondContact O-CG 3.22Å; P744-L748 WeakPolarHBondContact O-CB 3.45Å; P744-L748 PolarHBondContact O-N 2.95Å; P744-I758 HydrophobicContact CB-CG2 4.21Å; P744-V760 HydrophobicContact CB-CG2 4.05Å; P744-V760 HydrophobicContact CG-CG2 3.47Å; P744-V760 VanDerWaalsContact CG-CG2 3.47Å; P744-I804 HydrophobicContact CB-CD1 4.12Å; P744-I804 HydrophobicContact CB-CG2 3.91Å; P744-M829 HydrophobicContact CG-SD 4.3Å |
| 745 | Q | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.1 | -42.3 | 176.4 | -63.4 | -178.6 | 68 | 0 | 0 | 111.4 | T741 Q742 V743 L747 L748 E749 V775 E778 R779 | T741-Q745 WeakPolarHBondContact O-CG 3.42Å; T741-Q745 PolarHBondContact O-NE2 3Å; Q742-Q745 WeakPolarHBondContact O-CA 3.32Å; Q742-Q745 WeakPolarHBondContact O-CB 3.43Å; Q742-Q745 PolarHBondContact O-N 3.49Å; V743-Q745 PolarHBondContact O-N 3.01Å; Q745-L747 VanDerWaalsContact C-N 3.31Å; Q745-L747 PolarHBondContact O-N 3.12Å; Q745-L748 PolarHBondContact O-N 2.7Å; Q745-E749 WeakPolarHBondContact O-CB 3.47Å; Q745-E749 WeakPolarHBondContact O-CG 3.24Å; Q745-E749 PolarHBondContact O-N 3.05Å; Q745-V775 HydrophobicContact CG-CG1 3.74Å; Q745-E778 PolarHBondContact NE2-OE2 3.41Å; Q745-R779 HydrophobicContact CG-CG 4.39Å |
| 746 | Y | 95.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.5 | -58.4 | -21.6 | 0 | 0 | 0 | 112.2 | Y713 R716 Q742 V743 A750 | Y713-Y746 WeakPolarHBondContact CA-OH 3.29Å; R716-Y746 HydrophobicContact CB-CD2 4.02Å; R716-Y746 HydrophobicContact CB-CE2 3.83Å; R716-Y746 HydrophobicContact CB-CG 4.44Å; R716-Y746 HydrophobicContact CG-CD1 3.89Å; R716-Y746 HydrophobicContact CG-CD2 3.77Å; R716-Y746 HydrophobicContact CG-CE1 4.15Å; R716-Y746 HydrophobicContact CG-CE2 4.02Å; R716-Y746 HydrophobicContact CG-CG 3.71Å; Q742-Y746 HydrophobicContact CB-CE1 3.98Å; Q742-Y746 HydrophobicContact CB-CE2 3.84Å; Q742-Y746 WeakPolarHBondContact CB-OH 3.33Å; Q742-Y746 WeakPolarHBondContact O-CD1 3.21Å; Q742-Y746 VanDerWaalsContact O-CG 3.28Å; Q742-Y746 PolarHBondContact O-N 2.95Å; V743-Y746 PolarHBondContact O-N 3.32Å; Y746-A750 VanDerWaalsContact O-CB 3.25Å; Y746-A750 WeakPolarHBondContact O-CB 3.18Å; Y746-A750 PolarHBondContact O-N 2.91Å |
| 747 | L | 95.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 175.7 | -68.1 | 171.3 | 0 | 0 | 0 | 111.8 | L720 L723 V743 Q745 A750 G751 W752 I758 V827 I860 | L720-L747 HydrophobicContact CD2-CD2 4.23Å; L723-L747 HydrophobicContact CD1-CD2 3.76Å; V743-L747 HydrophobicContact CG1-CD1 4.26Å; V743-L747 WeakPolarHBondContact O-CG 3.44Å; V743-L747 PolarHBondContact O-N 2.69Å; Q745-L747 VanDerWaalsContact C-N 3.31Å; Q745-L747 PolarHBondContact O-N 3.12Å; L747-A750 PolarHBondContact O-N 3.31Å; L747-G751 PolarHBondContact O-N 3.49Å; L747-W752 HydrophobicContact CB-CB 4.3Å; L747-W752 HydrophobicContact CD2-CD2 4.49Å; L747-W752 HydrophobicContact CD2-CG 4.09Å; L747-W752 WeakPolarHBondContact O-CB 3.31Å; L747-W752 PolarHBondContact O-N 3.24Å; L747-I758 HydrophobicContact CB-CD1 3.53Å; L747-I758 HydrophobicContact CB-CG1 4.2Å; L747-I758 HydrophobicContact CD1-CG2 4.11Å; L747-V827 HydrophobicContact CD1-CB 4.2Å; L747-V827 HydrophobicContact CD1-CG1 3.73Å; L747-V827 HydrophobicContact CD1-CG2 4.4Å; L747-V827 HydrophobicContact CD2-CG2 4.44Å; L747-I860 HydrophobicContact CD1-CD1 3.89Å |
| 748 | L | 93.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 12% | 0.12 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -48 | 176.3 | 179.3 | 63.5 | 0 | 0 | 0 | 111.1 | P744 Q745 A750 G751 A753 I758 E786 K803 I804 | P744-L748 WeakPolarHBondContact O-CB 3.45Å; P744-L748 PolarHBondContact O-N 2.95Å; Q745-L748 PolarHBondContact O-N 2.7Å; L748-A750 VanDerWaalsContact C-N 3.3Å; L748-A750 PolarHBondContact O-N 2.98Å; L748-G751 PolarHBondContact O-N 3.47Å; L748-A753 HydrophobicContact CD1-CB 3.59Å; L748-I758 HydrophobicContact CB-CD1 3.94Å; L748-E786 HydrophobicContact CD2-CG 4.2Å; L748-K803 HydrophobicContact CD1-CB 3.79Å; L748-K803 HydrophobicContact CD1-CG 4.3Å; L748-I804 HydrophobicContact CB-CD1 4.08Å; L748-I804 HydrophobicContact CB-CG1 4.41Å; L748-I804 HydrophobicContact CD2-CD1 3.71Å; L748-I804 HydrophobicContact CD2-CG1 4.11Å; L748-I804 HydrophobicContact CG-CD1 4.48Å |
| 749 | E | 93.2 | Very high | 92.2 | Very high | 77 Ų | 77 | 32.5 Ų | 32.5 | 36% | 0.36 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.1 | -34.7 | 177.8 | -71 | 164.3 | -168.1 | 0 | 0 | 112.8 | R707 R716 Q745 G751 | R707-E749 IonicContact CZ-OE1 3.79Å; R707-E749 IonicContact NH2-OE1 3.09Å; R707-E749 PolarHBondContact NH2-OE1 3.3Å; R716-E749 IonicContact CZ-OE2 2.88Å; R716-E749 IonicContact NE-OE2 2.9Å; R716-E749 PolarHBondContact NE-OE2 3.29Å; R716-E749 IonicContact NH2-OE2 2.77Å; R716-E749 PolarHBondContact NH2-OE2 2.8Å; Q745-E749 WeakPolarHBondContact O-CB 3.47Å; Q745-E749 WeakPolarHBondContact O-CG 3.24Å; Q745-E749 PolarHBondContact O-N 3.05Å; E749-G751 PolarHBondContact O-N 3.19Å |
| 750 | A | 93 | Very high | 92.6 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 41% | 0.405 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L720 Y746 L747 L748 | L720-A750 HydrophobicContact CD1-CB 3.94Å; L720-A750 HydrophobicContact CD2-CB 3.7Å; L720-A750 HydrophobicContact CG-CB 4.47Å; Y746-A750 VanDerWaalsContact O-CB 3.25Å; Y746-A750 WeakPolarHBondContact O-CB 3.18Å; Y746-A750 PolarHBondContact O-N 2.91Å; L747-A750 PolarHBondContact O-N 3.31Å; L748-A750 VanDerWaalsContact C-N 3.3Å; L748-A750 PolarHBondContact O-N 2.98Å |
| 751 | G | 91.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 9.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L747 L748 E749 A753 H754 | L747-G751 PolarHBondContact O-N 3.49Å; L748-G751 PolarHBondContact O-N 3.47Å; E749-G751 PolarHBondContact O-N 3.19Å; G751-A753 PolarHBondContact O-N 3.34Å; G751-A753 VanDerWaalsContact O-N 3.08Å; G751-H754 VanDerWaalsContact C-CD2 3.49Å; G751-H754 WeakPolarHBondContact CA-CD2 3.47Å; G751-H754 VanDerWaalsContact CA-NE2 3.32Å; G751-H754 WeakPolarHBondContact CA-NE2 3.43Å; G751-H754 WeakPolarHBondContact O-CB 3.31Å; G751-H754 PolarHBondContact O-CD2 2.96Å; G751-H754 PolarHBondContact O-N 3.18Å; G751-H754 VanDerWaalsContact O-N 3.09Å |
| 752 | W | 90.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 24% | 0.239 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.6 | 179.5 | -71.1 | 80.6 | 0 | 0 | 0 | 113 | L747 S826 V827 R858 | L747-W752 HydrophobicContact CB-CB 4.3Å; L747-W752 HydrophobicContact CD2-CD2 4.49Å; L747-W752 HydrophobicContact CD2-CG 4.09Å; L747-W752 WeakPolarHBondContact O-CB 3.31Å; L747-W752 PolarHBondContact O-N 3.24Å; W752-S826 VanDerWaalsContact O-CB 3.24Å; W752-S826 WeakPolarHBondContact O-CB 3.49Å; W752-S826 PolarHBondContact O-OG 2.79Å; W752-V827 HydrophobicContact CB-CG2 4Å; W752-V827 HydrophobicContact CD2-CG2 4.1Å; W752-V827 HydrophobicContact CE3-CG2 3.7Å; W752-V827 HydrophobicContact CG-CG2 4.26Å; W752-R858 HydrophobicContact CE3-CG 4.24Å; W752-R858 HydrophobicContact CH2-CG 3.73Å; W752-R858 HydrophobicContact CZ3-CB 4.37Å; W752-R858 HydrophobicContact CZ3-CG 3.36Å |
| 753 | A | 87.4 | Confident | 92.7 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 16.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L748 G751 G756 I758 K803 | L748-A753 HydrophobicContact CD1-CB 3.59Å; G751-A753 PolarHBondContact O-N 3.34Å; G751-A753 VanDerWaalsContact O-N 3.08Å; A753-G756 CarbonylContact C-O 3.55Å; A753-G756 WeakPolarHBondContact CA-O 3.48Å; A753-I758 HydrophobicContact CB-CD1 4.02Å; A753-I758 HydrophobicContact CB-CG1 4.3Å; A753-K803 HydrophobicContact CB-CB 4.2Å; A753-K803 HydrophobicContact CB-CD 4.32Å; A753-K803 PolarHBondContact O-NZ 3.4Å; A753-K803 VanDerWaalsContact O-NZ 3.15Å |
| 754 | H | 86.1 | Confident | 92 | Very high | 157 Ų | 157 | 33.7 Ų | 33.7 | 73% | 0.727 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -69.3 | -50.8 | 174.6 | -73.9 | -53.3 | 0 | 0 | 0 | 111.8 | G751 | G751-H754 VanDerWaalsContact C-CD2 3.49Å; G751-H754 WeakPolarHBondContact CA-CD2 3.47Å; G751-H754 VanDerWaalsContact CA-NE2 3.32Å; G751-H754 WeakPolarHBondContact CA-NE2 3.43Å; G751-H754 WeakPolarHBondContact O-CB 3.31Å; G751-H754 PolarHBondContact O-CD2 2.96Å; G751-H754 PolarHBondContact O-N 3.18Å; G751-H754 VanDerWaalsContact O-N 3.09Å |
| 755 | E | 82.4 | Confident | 91.3 | Very high | 201 Ų | 201 | 38.2 Ų | 38.2 | 94% | 0.939 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -93.6 | -9.2 | -178.6 | -61.7 | -171.8 | 165 | 0 | 0 | 113.8 | ||
| 756 | G | 89.4 | Confident | 90.4 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -158.9 | -164.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A753 E824 | A753-G756 CarbonylContact C-O 3.55Å; A753-G756 WeakPolarHBondContact CA-O 3.48Å; G756-E824 CarbonylContact C-O 3.6Å; G756-E824 WeakPolarHBondContact CA-O 3.24Å |
| 757 | K | 94.8 | Very high | 89.8 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 15% | 0.148 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 159.8 | 177.6 | -61 | 177.2 | -176.8 | -177.6 | 0 | 110.8 | R799 T802 K803 E824 Y825 S826 | K757-R799 PolarHBondContact NZ-O 2.9Å; K757-T802 VanDerWaalsContact CD-O 3.22Å; K757-T802 WeakPolarHBondContact CD-O 3.45Å; K757-T802 WeakPolarHBondContact CE-O 3.1Å; K757-T802 WeakPolarHBondContact CG-O 3.41Å; K757-K803 WeakPolarHBondContact CA-O 3.36Å; K757-E824 PolarHBondContact N-O 2.96Å; K757-Y825 HydrophobicContact CB-CD1 3.71Å; K757-Y825 HydrophobicContact CB-CE1 3.95Å; K757-Y825 VanDerWaalsContact O-CA 3.28Å; K757-Y825 WeakPolarHBondContact O-CA 3.4Å; K757-S826 PolarHBondContact O-N 3.41Å; K757-S826 PolarHBondContact O-OG 2.9Å |
| 758 | I | 97 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.6 | 170.5 | -62.4 | 154.5 | 0 | 0 | 0 | 107.6 | P744 L747 L748 A753 K803 I804 K805 | P744-I758 HydrophobicContact CB-CG2 4.21Å; L747-I758 HydrophobicContact CB-CD1 3.53Å; L747-I758 HydrophobicContact CB-CG1 4.2Å; L747-I758 HydrophobicContact CD1-CG2 4.11Å; L748-I758 HydrophobicContact CB-CD1 3.94Å; A753-I758 HydrophobicContact CB-CD1 4.02Å; A753-I758 HydrophobicContact CB-CG1 4.3Å; I758-K803 PolarHBondContact N-O 2.74Å; I758-I804 HydrophobicContact CB-CG1 4.49Å; I758-I804 HydrophobicContact CD1-CG1 4.34Å; I758-K805 PolarHBondContact O-N 3.29Å |
| 759 | C | 97.3 | Very high | 89 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.3 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | K805 V807 Y825 V827 V828 M829 | C759-K805 WeakPolarHBondContact CA-O 3.25Å; C759-V807 VanDerWaalsContact SG-CG2 3.52Å; C759-Y825 HydrophobicContact CB-CD1 3.55Å; C759-Y825 HydrophobicContact CB-CD2 4.33Å; C759-Y825 HydrophobicContact CB-CE1 3.64Å; C759-Y825 HydrophobicContact CB-CE2 4.39Å; C759-Y825 HydrophobicContact CB-CG 3.93Å; C759-V827 PolarHBondContact N-O 2.98Å; C759-V828 HydrophobicContact CB-CG2 4.24Å; C759-V828 CarbonylContact O-C 3.53Å; C759-V828 WeakPolarHBondContact O-CA 3.41Å; C759-M829 PolarHBondContact O-N 3.24Å |
| 760 | V | 97.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.4 | 171.7 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | P744 K805 Y806 V807 M829 D831 | P744-V760 HydrophobicContact CB-CG2 4.05Å; P744-V760 HydrophobicContact CG-CG2 3.47Å; P744-V760 VanDerWaalsContact CG-CG2 3.47Å; V760-K805 PolarHBondContact N-O 2.68Å; V760-Y806 HydrophobicContact CB-CD1 3.65Å; V760-Y806 HydrophobicContact CB-CE1 3.72Å; V760-Y806 HydrophobicContact CB-CG 4.3Å; V760-Y806 HydrophobicContact CG1-CD1 3.84Å; V760-Y806 HydrophobicContact CG1-CE1 3.72Å; V760-Y806 HydrophobicContact CG2-CD1 4.28Å; V760-Y806 HydrophobicContact CG2-CE1 3.92Å; V760-Y806 CarbonylContact O-C 3.55Å; V760-Y806 WeakPolarHBondContact O-CA 3.4Å; V760-V807 PolarHBondContact O-N 2.7Å; V760-M829 CarbonylContact C-O 3.34Å; V760-M829 WeakPolarHBondContact CA-O 3.2Å; V760-M829 HydrophobicContact CG1-CB 4.46Å; V760-M829 HydrophobicContact CG1-CG 4.35Å; V760-M829 HydrophobicContact CG1-SD 4.46Å; V760-M829 HydrophobicContact CG2-CB 4.39Å; V760-D831 HydrophobicContact CG1-CB 4.46Å |
| 761 | S | 96.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.1 | 175.8 | 91.9 | 0 | 0 | 0 | 0 | 110.3 | V807 D809 M829 V830 D831 | S761-V807 CarbonylContact C-O 3.1Å; S761-V807 VanDerWaalsContact CA-O 3.32Å; S761-V807 WeakPolarHBondContact CA-O 3.2Å; S761-D809 WeakPolarHBondContact CB-OD1 3.35Å; S761-D809 PolarHBondContact OG-OD1 3.06Å; S761-M829 PolarHBondContact N-O 2.97Å; S761-V830 WeakPolarHBondContact OG-CA 3.4Å; S761-D831 WeakPolarHBondContact O-CB 3.27Å; S761-D831 PolarHBondContact O-N 3.48Å |
| 762 | E | 92.5 | Very high | 88.1 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.1 | 177.7 | -76.1 | -70.5 | 160.4 | 0 | 0 | 109.3 | R764 A767 A768 L771 V807 T808 D809 D831 | E762-R764 PolarHBondContact O-N 3.49Å; E762-A767 HydrophobicContact CB-CB 4.3Å; E762-A767 HydrophobicContact CG-CB 4.24Å; E762-A767 WeakPolarHBondContact OE2-CB 3.38Å; E762-A768 HydrophobicContact CB-CB 4.07Å; E762-A768 HydrophobicContact CG-CB 4.43Å; E762-L771 HydrophobicContact CG-CD1 3.99Å; E762-L771 WeakPolarHBondContact OE1-CD1 3.46Å; E762-V807 PolarHBondContact N-O 2.82Å; E762-T808 VanDerWaalsContact O-CA 3.23Å; E762-T808 WeakPolarHBondContact O-CA 3.41Å; E762-D809 PolarHBondContact O-N 2.96Å; E762-D831 VanDerWaalsContact OE1-CB 3.31Å; E762-D831 WeakPolarHBondContact OE1-CB 3.31Å |
| 763 | P | 87.3 | Confident | 87.9 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 15% | 0.149 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -66.2 | -25 | 177.9 | 23.3 | -31.6 | 0 | 0 | 0 | 112.5 | E832 E835 N837 | P763-E832 HydrophobicContact CG-CB 3.88Å; P763-E835 HydrophobicContact CB-CB 4.49Å; P763-E835 VanDerWaalsContact CB-OE2 3.23Å; P763-E835 WeakPolarHBondContact CB-OE2 3.49Å; P763-E835 HydrophobicContact CG-CB 4.37Å; P763-E835 HydrophobicContact CG-CG 4.11Å; P763-E835 VanDerWaalsContact CG-OE2 3.26Å; P763-E835 WeakPolarHBondContact CG-OE2 3.29Å; P763-N837 VanDerWaalsContact CB-ND2 3.31Å; P763-N837 WeakPolarHBondContact CB-ND2 3.4Å |
| 764 | R | 80.9 | Confident | 87.7 | Confident | 46 Ų | 46 | 34.6 Ų | 34.6 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -114.8 | 133.7 | -173.5 | -58.6 | -175.7 | -173.8 | -170.6 | 0.2 | 112.6 | E762 V766 A767 A768 E835 N996 I997 A1000 S1001 | E762-R764 PolarHBondContact O-N 3.49Å; R764-V766 VanDerWaalsContact C-N 3.28Å; R764-V766 PolarHBondContact O-N 3.42Å; R764-A767 HydrophobicContact CB-CB 4.21Å; R764-A767 PolarHBondContact O-N 3.47Å; R764-A767 VanDerWaalsContact O-N 3.17Å; R764-A768 PolarHBondContact O-N 3.15Å; R764-A768 VanDerWaalsContact O-N 3.14Å; R764-E835 IonicContact CZ-OE1 3.15Å; R764-E835 IonicContact NE-OE1 3.44Å; R764-E835 PolarHBondContact NE-OE1 3.34Å; R764-E835 IonicContact NE-OE2 3.6Å; R764-E835 IonicContact NH2-OE1 3.34Å; R764-E835 PolarHBondContact NH2-OE1 3.01Å; R764-N996 PolarHBondContact NH2-O 2.81Å; R764-I997 VanDerWaalsContact NH1-CA 3.33Å; R764-I997 PolarHBondContact NH1-O 3.01Å; R764-A1000 PolarHBondContact NH1-O 2.78Å; R764-S1001 WeakPolarHBondContact CD-OG 3.39Å |
| 765 | R | 81.8 | Confident | 87.9 | Confident | 95 Ų | 95 | 27.1 Ų | 27.1 | 36% | 0.358 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -54.2 | -42.3 | 174.1 | 173.2 | 168.3 | -178.2 | 177.3 | 0.2 | 112.7 | A767 A768 V769 V791 D794 T808 | R765-A767 VanDerWaalsContact C-N 3.35Å; R765-A767 PolarHBondContact O-N 3.43Å; R765-A768 PolarHBondContact O-N 2.8Å; R765-V769 HydrophobicContact CG-CG2 4.39Å; R765-V769 VanDerWaalsContact O-CG2 3.32Å; R765-V769 WeakPolarHBondContact O-CG2 3.3Å; R765-V769 PolarHBondContact O-N 2.76Å; R765-V769 VanDerWaalsContact O-N 3.13Å; R765-V791 HydrophobicContact CB-CB 4.49Å; R765-V791 HydrophobicContact CB-CG1 4.41Å; R765-V791 HydrophobicContact CG-CB 3.92Å; R765-V791 HydrophobicContact CG-CG1 4Å; R765-V791 HydrophobicContact CG-CG2 3.77Å; R765-V791 VanDerWaalsContact NE-CG2 3.28Å; R765-D794 IonicContact CZ-OD2 2.93Å; R765-D794 IonicContact NH2-OD2 3.97Å; R765-D794 PolarHBondContact NH2-OD2 2.9Å; R765-T808 HydrophobicContact CB-CG2 4.27Å |
| 766 | V | 75.6 | Confident | 88.3 | Confident | 35 Ų | 35 | 17.6 Ų | 17.6 | 21% | 0.212 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | -178.3 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | R764 T770 F974 V1002 | R764-V766 VanDerWaalsContact C-N 3.28Å; R764-V766 PolarHBondContact O-N 3.42Å; V766-T770 HydrophobicContact CG1-CG2 4.19Å; V766-T770 WeakPolarHBondContact O-CB 3.41Å; V766-T770 VanDerWaalsContact O-CG2 3.28Å; V766-T770 WeakPolarHBondContact O-CG2 3.37Å; V766-T770 PolarHBondContact O-N 3.06Å; V766-T770 PolarHBondContact O-OG1 3.01Å; V766-F974 HydrophobicContact CG1-CE2 4.3Å; V766-F974 HydrophobicContact CG2-CD2 4.36Å; V766-F974 HydrophobicContact CG2-CE2 4.27Å; V766-V1002 HydrophobicContact CG1-CG2 4.38Å |
| 767 | A | 82.5 | Confident | 88.1 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E762 R764 R765 V769 T770 L771 | E762-A767 HydrophobicContact CB-CB 4.3Å; E762-A767 HydrophobicContact CG-CB 4.24Å; E762-A767 WeakPolarHBondContact OE2-CB 3.38Å; R764-A767 HydrophobicContact CB-CB 4.21Å; R764-A767 PolarHBondContact O-N 3.47Å; R764-A767 VanDerWaalsContact O-N 3.17Å; R765-A767 VanDerWaalsContact C-N 3.35Å; R765-A767 PolarHBondContact O-N 3.43Å; A767-V769 VanDerWaalsContact C-N 3.34Å; A767-V769 PolarHBondContact O-N 3.06Å; A767-T770 PolarHBondContact O-N 3.1Å; A767-T770 PolarHBondContact O-OG1 3.1Å; A767-L771 HydrophobicContact CB-CD1 4.38Å; A767-L771 VanDerWaalsContact O-CB 3.24Å; A767-L771 WeakPolarHBondContact O-CB 3.5Å; A767-L771 VanDerWaalsContact O-CG 3.24Å; A767-L771 WeakPolarHBondContact O-CG 3.42Å; A767-L771 PolarHBondContact O-N 2.82Å |
| 768 | A | 87 | Confident | 87.7 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54 | -47.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E762 R764 R765 A772 V791 | E762-A768 HydrophobicContact CB-CB 4.07Å; E762-A768 HydrophobicContact CG-CB 4.43Å; R764-A768 PolarHBondContact O-N 3.15Å; R764-A768 VanDerWaalsContact O-N 3.14Å; R765-A768 PolarHBondContact O-N 2.8Å; A768-A772 WeakPolarHBondContact O-CB 3.3Å; A768-A772 PolarHBondContact O-N 3.24Å; A768-A772 VanDerWaalsContact O-N 3.14Å; A768-V791 HydrophobicContact CB-CG1 3.92Å |
| 769 | V | 84.7 | Confident | 87.3 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 10% | 0.103 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69 | -46.5 | -179.2 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | R765 A767 A772 S773 Y789 V791 | R765-V769 HydrophobicContact CG-CG2 4.39Å; R765-V769 VanDerWaalsContact O-CG2 3.32Å; R765-V769 WeakPolarHBondContact O-CG2 3.3Å; R765-V769 PolarHBondContact O-N 2.76Å; R765-V769 VanDerWaalsContact O-N 3.13Å; A767-V769 VanDerWaalsContact C-N 3.34Å; A767-V769 PolarHBondContact O-N 3.06Å; V769-A772 PolarHBondContact O-N 3.11Å; V769-S773 PolarHBondContact O-N 3.43Å; V769-Y789 HydrophobicContact CG1-CE1 4.12Å; V769-Y789 HydrophobicContact CG2-CD1 4.42Å; V769-Y789 HydrophobicContact CG2-CD2 3.77Å; V769-Y789 HydrophobicContact CG2-CE1 4.29Å; V769-Y789 HydrophobicContact CG2-CE2 3.61Å; V769-Y789 HydrophobicContact CG2-CG 4.16Å; V769-V791 HydrophobicContact CG2-CG1 4.39Å |
| 770 | T | 80.2 | Confident | 86.6 | Confident | 27 Ų | 27 | 26 Ų | 26 | 17% | 0.166 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.8 | -38.9 | -175.8 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | V766 A767 S773 R774 | V766-T770 HydrophobicContact CG1-CG2 4.19Å; V766-T770 WeakPolarHBondContact O-CB 3.41Å; V766-T770 VanDerWaalsContact O-CG2 3.28Å; V766-T770 WeakPolarHBondContact O-CG2 3.37Å; V766-T770 PolarHBondContact O-N 3.06Å; V766-T770 PolarHBondContact O-OG1 3.01Å; A767-T770 PolarHBondContact O-N 3.1Å; A767-T770 PolarHBondContact O-OG1 3.1Å; T770-S773 PolarHBondContact O-N 2.98Å; T770-R774 WeakPolarHBondContact O-CB 3.39Å; T770-R774 PolarHBondContact O-N 3.27Å |
| 771 | L | 88.6 | Confident | 86 | Confident | 27 Ų | 27 | 27.9 Ų | 27.9 | 14% | 0.141 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 174.6 | -70.1 | 169.4 | 0 | 0 | 0 | 111.3 | T741 E762 A767 S773 R774 V775 Y806 | T741-L771 HydrophobicContact CG2-CD2 3.72Å; E762-L771 HydrophobicContact CG-CD1 3.99Å; E762-L771 WeakPolarHBondContact OE1-CD1 3.46Å; A767-L771 HydrophobicContact CB-CD1 4.38Å; A767-L771 VanDerWaalsContact O-CB 3.24Å; A767-L771 WeakPolarHBondContact O-CB 3.5Å; A767-L771 VanDerWaalsContact O-CG 3.24Å; A767-L771 WeakPolarHBondContact O-CG 3.42Å; A767-L771 PolarHBondContact O-N 2.82Å; L771-S773 PolarHBondContact O-N 3.29Å; L771-R774 PolarHBondContact O-N 3.25Å; L771-V775 WeakPolarHBondContact O-CB 3.36Å; L771-V775 WeakPolarHBondContact O-CG2 3.25Å; L771-V775 PolarHBondContact O-N 3.41Å; L771-Y806 HydrophobicContact CB-CD1 3.96Å; L771-Y806 HydrophobicContact CB-CE1 3.72Å; L771-Y806 HydrophobicContact CD1-CE1 4.38Å |
| 772 | A | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A768 V769 V775 A776 F783 V787 Y789 Y806 | A768-A772 WeakPolarHBondContact O-CB 3.3Å; A768-A772 PolarHBondContact O-N 3.24Å; A768-A772 VanDerWaalsContact O-N 3.14Å; V769-A772 PolarHBondContact O-N 3.11Å; A772-V775 PolarHBondContact O-N 3.43Å; A772-A776 WeakPolarHBondContact O-CB 3.42Å; A772-A776 PolarHBondContact O-N 2.94Å; A772-F783 VanDerWaalsContact C-CE2 3.44Å; A772-F783 HydrophobicContact CB-CE2 3.67Å; A772-F783 HydrophobicContact CB-CZ 4.24Å; A772-V787 HydrophobicContact CB-CG1 4.43Å; A772-V787 WeakPolarHBondContact O-CG1 3.33Å; A772-Y789 HydrophobicContact CB-CD1 4.35Å; A772-Y806 HydrophobicContact CB-CD2 3.53Å; A772-Y806 HydrophobicContact CB-CE2 4.26Å; A772-Y806 HydrophobicContact CB-CG 3.92Å |
| 773 | S | 86.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -48 | 174.8 | -169.2 | 0 | 0 | 0 | 0 | 111 | V769 T770 L771 V775 A776 E777 | V769-S773 PolarHBondContact O-N 3.43Å; T770-S773 PolarHBondContact O-N 2.98Å; L771-S773 PolarHBondContact O-N 3.29Å; S773-V775 PolarHBondContact O-N 2.93Å; S773-A776 WeakPolarHBondContact O-CB 3.29Å; S773-A776 PolarHBondContact O-N 3.23Å; S773-E777 WeakPolarHBondContact O-CG 3.27Å; S773-E777 PolarHBondContact O-N 3.36Å; S773-E777 PolarHBondContact OG-OE1 2.84Å |
| 774 | R | 82.4 | Confident | 84.6 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | -179.3 | 178.1 | 57.7 | -177 | -168.2 | 0.1 | 112.5 | T741 T770 L771 E777 E778 | T741-R774 HydrophobicContact CG2-CG 4.34Å; T770-R774 WeakPolarHBondContact O-CB 3.39Å; T770-R774 PolarHBondContact O-N 3.27Å; L771-R774 PolarHBondContact O-N 3.25Å; R774-E777 PolarHBondContact O-N 3.35Å; R774-E778 IonicContact CZ-OE1 2.97Å; R774-E778 IonicContact NE-OE1 3.68Å; R774-E778 PolarHBondContact NE-OE1 2.83Å; R774-E778 IonicContact NH2-OE1 2.93Å; R774-E778 PolarHBondContact NH2-OE1 2.96Å; R774-E778 WeakPolarHBondContact O-CB 3.46Å; R774-E778 WeakPolarHBondContact O-CG 3.39Å; R774-E778 PolarHBondContact O-N 2.95Å |
| 775 | V | 90.8 | Very high | 85 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.8 | -32.1 | 178.9 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | T741 Q745 L771 A772 S773 R779 V787 I804 Y806 | T741-V775 HydrophobicContact CG2-CG2 4.31Å; Q745-V775 HydrophobicContact CG-CG1 3.74Å; L771-V775 WeakPolarHBondContact O-CB 3.36Å; L771-V775 WeakPolarHBondContact O-CG2 3.25Å; L771-V775 PolarHBondContact O-N 3.41Å; A772-V775 PolarHBondContact O-N 3.43Å; S773-V775 PolarHBondContact O-N 2.93Å; V775-R779 HydrophobicContact CG1-CG 4.34Å; V775-R779 VanDerWaalsContact O-CB 3.29Å; V775-R779 WeakPolarHBondContact O-CB 3.44Å; V775-R779 WeakPolarHBondContact O-CG 3.47Å; V775-R779 PolarHBondContact O-N 2.88Å; V775-V787 HydrophobicContact CB-CG1 4.18Å; V775-V787 HydrophobicContact CG1-CG1 4.13Å; V775-V787 HydrophobicContact CG1-CG2 4.01Å; V775-I804 HydrophobicContact CG1-CD1 4.36Å; V775-Y806 HydrophobicContact CB-CE2 4.36Å; V775-Y806 VanDerWaalsContact CG2-OH 3.29Å; V775-Y806 WeakPolarHBondContact CG2-OH 3.25Å |
| 776 | A | 90 | Very high | 85.4 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A772 S773 R779 G780 T781 F783 V787 | A772-A776 WeakPolarHBondContact O-CB 3.42Å; A772-A776 PolarHBondContact O-N 2.94Å; S773-A776 WeakPolarHBondContact O-CB 3.29Å; S773-A776 PolarHBondContact O-N 3.23Å; A776-R779 PolarHBondContact O-N 3.15Å; A776-G780 PolarHBondContact O-N 3.38Å; A776-G780 VanDerWaalsContact O-N 3.08Å; A776-T781 PolarHBondContact O-N 2.86Å; A776-F783 HydrophobicContact CB-CB 4.2Å; A776-F783 HydrophobicContact CB-CD2 3.83Å; A776-F783 HydrophobicContact CB-CG 4.46Å; A776-V787 HydrophobicContact CB-CB 4.1Å; A776-V787 HydrophobicContact CB-CG1 4.48Å |
| 777 | E | 85 | Confident | 86.3 | Confident | 51 Ų | 51 | 33 Ų | 33 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 174.6 | -72.4 | 163.3 | -151.4 | 0 | 0 | 112.3 | S773 R774 R779 G780 | S773-E777 WeakPolarHBondContact O-CG 3.27Å; S773-E777 PolarHBondContact O-N 3.36Å; S773-E777 PolarHBondContact OG-OE1 2.84Å; R774-E777 PolarHBondContact O-N 3.35Å; E777-R779 PolarHBondContact O-N 3.06Å; E777-G780 PolarHBondContact O-N 3.28Å |
| 778 | E | 87.5 | Confident | 86.8 | Confident | 18 Ų | 18 | 33 Ų | 33 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -28.3 | 179.3 | -78.3 | -175.8 | -164.4 | 0 | 0 | 113.4 | L703 R707 Q742 Q745 R774 | L703-E778 HydrophobicContact CD2-CG 4.32Å; R707-E778 IonicContact NE-OE2 3.63Å; Q742-E778 PolarHBondContact NE2-OE2 3.48Å; Q745-E778 PolarHBondContact NE2-OE2 3.41Å; R774-E778 IonicContact CZ-OE1 2.97Å; R774-E778 IonicContact NE-OE1 3.68Å; R774-E778 PolarHBondContact NE-OE1 2.83Å; R774-E778 IonicContact NH2-OE1 2.93Å; R774-E778 PolarHBondContact NH2-OE1 2.96Å; R774-E778 WeakPolarHBondContact O-CB 3.46Å; R774-E778 WeakPolarHBondContact O-CG 3.39Å; R774-E778 PolarHBondContact O-N 2.95Å |
| 779 | R | 87.7 | Confident | 87.1 | Confident | 81 Ų | 81 | 33.9 Ų | 33.9 | 31% | 0.306 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11.7 | 174.9 | -72 | -75.7 | -63.7 | 163.4 | 3 | 113.3 | Q745 V775 A776 E777 T781 E786 | Q745-R779 HydrophobicContact CG-CG 4.39Å; V775-R779 HydrophobicContact CG1-CG 4.34Å; V775-R779 VanDerWaalsContact O-CB 3.29Å; V775-R779 WeakPolarHBondContact O-CB 3.44Å; V775-R779 WeakPolarHBondContact O-CG 3.47Å; V775-R779 PolarHBondContact O-N 2.88Å; A776-R779 PolarHBondContact O-N 3.15Å; E777-R779 PolarHBondContact O-N 3.06Å; R779-T781 VanDerWaalsContact C-N 3.25Å; R779-T781 HydrophobicContact CB-CG2 4.07Å; R779-T781 PolarHBondContact O-N 3.08Å; R779-E786 IonicContact CZ-OE1 2.74Å; R779-E786 IonicContact CZ-OE2 3.88Å; R779-E786 VanDerWaalsContact CZ-OE2 3.29Å; R779-E786 IonicContact NE-OE2 2.67Å; R779-E786 PolarHBondContact NE-OE2 3.26Å; R779-E786 VanDerWaalsContact NH2-CD 3.27Å; R779-E786 IonicContact NH2-OE1 3.23Å; R779-E786 PolarHBondContact NH2-OE1 2.89Å; R779-E786 IonicContact NH2-OE2 2.69Å; R779-E786 PolarHBondContact NH2-OE2 3.47Å |
| 780 | G | 83.3 | Confident | 87.4 | Confident | 71 Ų | 71 | 33.6 Ų | 33.6 | 73% | 0.732 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 30 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A776 E777 | A776-G780 PolarHBondContact O-N 3.38Å; A776-G780 VanDerWaalsContact O-N 3.08Å; E777-G780 PolarHBondContact O-N 3.28Å |
| 781 | T | 83.6 | Confident | 87.6 | Confident | 39 Ų | 39 | 32.4 Ų | 32.4 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | trans | -106.5 | 151.3 | -179.5 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | A776 R779 F783 E786 | A776-T781 PolarHBondContact O-N 2.86Å; R779-T781 VanDerWaalsContact C-N 3.25Å; R779-T781 HydrophobicContact CB-CG2 4.07Å; R779-T781 PolarHBondContact O-N 3.08Å; T781-F783 PolarHBondContact O-N 3.5Å; T781-E786 HydrophobicContact CG2-CB 4.01Å; T781-E786 WeakPolarHBondContact CG2-OE2 3.44Å | ||
| 782 | M | 82.7 | Confident | 86.9 | Confident | 133 Ų | 133 | 35.6 Ų | 35.6 | 66% | 0.655 | 18% | 0.184 | S | C | * | . | trans | -63.1 | 123.4 | 171.6 | -70 | -62.1 | -65.5 | 0 | 0 | 109.5 | G784 Q785 | M782-G784 PolarHBondContact O-N 3.05Å; M782-Q785 HydrophobicContact CB-CB 4.47Å; M782-Q785 HydrophobicContact CB-CG 3.84Å; M782-Q785 WeakPolarHBondContact O-CB 3.47Å; M782-Q785 PolarHBondContact O-N 3.41Å | ||
| 783 | F | 83.1 | Confident | 85.8 | Confident | 50 Ų | 50 | 37.9 Ų | 37.9 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.7 | 176.3 | -171.1 | -137.1 | 0 | 0 | 0 | 110.7 | A772 A776 T781 Q785 Y789 F796 | A772-F783 VanDerWaalsContact C-CE2 3.44Å; A772-F783 HydrophobicContact CB-CE2 3.67Å; A772-F783 HydrophobicContact CB-CZ 4.24Å; A776-F783 HydrophobicContact CB-CB 4.2Å; A776-F783 HydrophobicContact CB-CD2 3.83Å; A776-F783 HydrophobicContact CB-CG 4.46Å; T781-F783 PolarHBondContact O-N 3.5Å; F783-Q785 VanDerWaalsContact C-N 3.31Å; F783-Q785 PolarHBondContact O-N 2.85Å; F783-Y789 HydrophobicContact CE1-CD1 4.08Å; F783-Y789 AromaticContact CE1-CE1 3.66Å; F783-Y789 HydrophobicContact CE1-CE1 3.66Å; F783-Y789 AromaticContact CE2-CD1 3.99Å; F783-Y789 HydrophobicContact CE2-CD1 3.99Å; F783-Y789 HydrophobicContact CE2-CE1 4.4Å; F783-Y789 AromaticContact CZ-CD1 3.32Å; F783-Y789 HydrophobicContact CZ-CD1 3.32Å; F783-Y789 AromaticContact CZ-CE1 3.37Å; F783-Y789 HydrophobicContact CZ-CE1 3.37Å; F783-F796 VanDerWaalsContact C-CE1 3.45Å; F783-F796 HydrophobicContact CB-CE1 4.04Å; F783-F796 AromaticContact CD1-CD1 3.52Å; F783-F796 HydrophobicContact CD1-CD1 3.52Å; F783-F796 AromaticContact CD1-CE1 3.27Å; F783-F796 HydrophobicContact CD1-CE1 3.27Å; F783-F796 HydrophobicContact CD1-CZ 4.25Å; F783-F796 HydrophobicContact CD2-CD1 4.43Å; F783-F796 AromaticContact CE1-CD1 3.67Å; F783-F796 HydrophobicContact CE1-CD1 3.67Å; F783-F796 AromaticContact CE1-CE1 3.88Å; F783-F796 HydrophobicContact CE1-CE1 3.88Å; F783-F796 HydrophobicContact CE1-CG 4.49Å; F783-F796 AromaticContact CG-CD1 3.95Å; F783-F796 HydrophobicContact CG-CD1 3.95Å; F783-F796 AromaticContact CG-CE1 3.7Å; F783-F796 HydrophobicContact CG-CE1 3.7Å; F783-F796 HydrophobicContact CZ-CD1 4.22Å; F783-F796 VanDerWaalsContact O-CE1 3.26Å; F783-F796 WeakPolarHBondContact O-CE1 3.44Å |
| 784 | G | 82.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -8.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | M782 V787 F796 K798 T802 | M782-G784 PolarHBondContact O-N 3.05Å; G784-V787 WeakPolarHBondContact CA-O 3.45Å; G784-V787 PolarHBondContact N-O 2.99Å; G784-F796 WeakPolarHBondContact CA-O 3.32Å; G784-K798 WeakPolarHBondContact O-CG 3.15Å; G784-K798 PolarHBondContact O-N 2.6Å; G784-T802 PolarHBondContact O-OG1 3.42Å |
| 785 | Q | 88.1 | Confident | 85.2 | Confident | 79 Ų | 79 | 42.4 Ų | 42.4 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -85.2 | -99.8 | 170 | -58.9 | -168 | 9.9 | 0 | 0 | 110.5 | M782 F783 V787 K798 S801 T802 | M782-Q785 HydrophobicContact CB-CB 4.47Å; M782-Q785 HydrophobicContact CB-CG 3.84Å; M782-Q785 WeakPolarHBondContact O-CB 3.47Å; M782-Q785 PolarHBondContact O-N 3.41Å; F783-Q785 VanDerWaalsContact C-N 3.31Å; F783-Q785 PolarHBondContact O-N 2.85Å; Q785-V787 VanDerWaalsContact C-N 3.32Å; Q785-V787 PolarHBondContact O-N 3.25Å; Q785-K798 HydrophobicContact CG-CD 4.28Å; Q785-S801 CarbonylContact O-C 3.46Å; Q785-T802 WeakPolarHBondContact O-CA 3.34Å; Q785-T802 VanDerWaalsContact O-CB 3.32Å; Q785-T802 WeakPolarHBondContact O-CB 3.14Å; Q785-T802 PolarHBondContact O-N 3.3Å; Q785-T802 VanDerWaalsContact O-N 3.1Å; Q785-T802 PolarHBondContact O-OG1 3.35Å |
| 786 | E | 91.4 | Very high | 85 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -64.4 | -36.4 | -178.4 | -171.2 | 179.3 | -123.8 | 0 | 0 | 112.3 | L748 R779 T781 S801 K803 I804 | L748-E786 HydrophobicContact CD2-CG 4.2Å; R779-E786 IonicContact CZ-OE1 2.74Å; R779-E786 IonicContact CZ-OE2 3.88Å; R779-E786 VanDerWaalsContact CZ-OE2 3.29Å; R779-E786 IonicContact NE-OE2 2.67Å; R779-E786 PolarHBondContact NE-OE2 3.26Å; R779-E786 VanDerWaalsContact NH2-CD 3.27Å; R779-E786 IonicContact NH2-OE1 3.23Å; R779-E786 PolarHBondContact NH2-OE1 2.89Å; R779-E786 IonicContact NH2-OE2 2.69Å; R779-E786 PolarHBondContact NH2-OE2 3.47Å; T781-E786 HydrophobicContact CG2-CB 4.01Å; T781-E786 WeakPolarHBondContact CG2-OE2 3.44Å; E786-S801 WeakPolarHBondContact CA-O 3.38Å; E786-K803 HydrophobicContact CG-CB 4.23Å; E786-K803 HydrophobicContact CG-CG 4.37Å; E786-K803 PolarHBondContact O-N 2.89Å; E786-I804 PolarHBondContact O-N 2.94Å |
| 787 | V | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.1 | 179.6 | -174.1 | 0 | 0 | 0 | 0 | 109 | A772 V775 A776 G784 Q785 I804 Y806 | A772-V787 HydrophobicContact CB-CG1 4.43Å; A772-V787 WeakPolarHBondContact O-CG1 3.33Å; V775-V787 HydrophobicContact CB-CG1 4.18Å; V775-V787 HydrophobicContact CG1-CG1 4.13Å; V775-V787 HydrophobicContact CG1-CG2 4.01Å; A776-V787 HydrophobicContact CB-CB 4.1Å; A776-V787 HydrophobicContact CB-CG1 4.48Å; G784-V787 WeakPolarHBondContact CA-O 3.45Å; G784-V787 PolarHBondContact N-O 2.99Å; Q785-V787 VanDerWaalsContact C-N 3.32Å; Q785-V787 PolarHBondContact O-N 3.25Å; V787-I804 WeakPolarHBondContact CA-O 3.32Å; V787-I804 HydrophobicContact CG1-CB 4.47Å; V787-I804 HydrophobicContact CG2-CB 4.35Å; V787-I804 HydrophobicContact CG2-CD1 4.43Å; V787-Y806 HydrophobicContact CG1-CD2 4.28Å; V787-Y806 HydrophobicContact CG1-CE2 4.01Å |
| 788 | G | 92.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 177.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | F796 I804 K805 Y806 | G788-F796 VanDerWaalsContact CA-O 3.25Å; G788-F796 WeakPolarHBondContact CA-O 3.33Å; G788-I804 PolarHBondContact N-O 3.44Å; G788-K805 WeakPolarHBondContact O-CA 3.41Å; G788-Y806 PolarHBondContact O-N 3.02Å |
| 789 | Y | 92.9 | Very high | 84.6 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 157.3 | 177 | 73.5 | -89.4 | 0 | 0 | 0 | 113.3 | V769 A772 F783 V791 D794 F796 Y806 | V769-Y789 HydrophobicContact CG1-CE1 4.12Å; V769-Y789 HydrophobicContact CG2-CD1 4.42Å; V769-Y789 HydrophobicContact CG2-CD2 3.77Å; V769-Y789 HydrophobicContact CG2-CE1 4.29Å; V769-Y789 HydrophobicContact CG2-CE2 3.61Å; V769-Y789 HydrophobicContact CG2-CG 4.16Å; A772-Y789 HydrophobicContact CB-CD1 4.35Å; F783-Y789 HydrophobicContact CE1-CD1 4.08Å; F783-Y789 AromaticContact CE1-CE1 3.66Å; F783-Y789 HydrophobicContact CE1-CE1 3.66Å; F783-Y789 AromaticContact CE2-CD1 3.99Å; F783-Y789 HydrophobicContact CE2-CD1 3.99Å; F783-Y789 HydrophobicContact CE2-CE1 4.4Å; F783-Y789 AromaticContact CZ-CD1 3.32Å; F783-Y789 HydrophobicContact CZ-CD1 3.32Å; F783-Y789 AromaticContact CZ-CE1 3.37Å; F783-Y789 HydrophobicContact CZ-CE1 3.37Å; Y789-V791 HydrophobicContact CD2-CG1 4Å; Y789-V791 HydrophobicContact CD2-CG2 4.06Å; Y789-V791 HydrophobicContact CE2-CG2 3.85Å; Y789-D794 HydrophobicContact CE2-CB 4.42Å; Y789-D794 PolarHBondContact OH-OD1 3.29Å; Y789-D794 PolarHBondContact OH-OD2 3.06Å; Y789-D794 VanDerWaalsContact OH-OD2 3.09Å; Y789-F796 HydrophobicContact CD1-CB 3.83Å; Y789-F796 HydrophobicContact CE1-CB 3.42Å; Y789-F796 VanDerWaalsContact CE1-CB 3.42Å; Y789-F796 HydrophobicContact CE1-CD1 4.32Å; Y789-F796 HydrophobicContact CE1-CG 4.07Å; Y789-F796 HydrophobicContact CE2-CB 4.34Å; Y789-F796 HydrophobicContact CG-CB 4.46Å; Y789-F796 PolarHBondContact N-O 3.31Å; Y789-F796 PolarHBondContact O-N 3.47Å; Y789-Y806 CarbonylContact C-O 3.57Å; Y789-Y806 WeakPolarHBondContact CA-O 3.41Å; Y789-Y806 WeakPolarHBondContact CB-O 3.26Å |
| 790 | V | 90.3 | Very high | 84.3 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 117.9 | 169.4 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | D795 T797 K805 Y806 V807 T808 I811 | V790-D795 HydrophobicContact CG1-CB 4.09Å; V790-D795 HydrophobicContact CG2-CB 4.35Å; V790-D795 WeakPolarHBondContact CG2-OD1 3.49Å; V790-T797 HydrophobicContact CG2-CG2 3.61Å; V790-K805 HydrophobicContact CG2-CD 4.41Å; V790-K805 HydrophobicContact CG2-CG 4.48Å; V790-Y806 PolarHBondContact N-O 3.29Å; V790-V807 HydrophobicContact CB-CG1 4.1Å; V790-V807 VanDerWaalsContact O-CA 3.29Å; V790-V807 WeakPolarHBondContact O-CA 3.09Å; V790-T808 PolarHBondContact O-N 3.29Å; V790-I811 HydrophobicContact CB-CG2 4.1Å; V790-I811 HydrophobicContact CG1-CD1 4.47Å; V790-I811 HydrophobicContact CG1-CG2 3.78Å |
| 791 | V | 85.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 169.6 | 174.6 | -58.3 | 0 | 0 | 0 | 0 | 109.4 | R765 A768 V769 Y789 F793 D794 T808 | R765-V791 HydrophobicContact CB-CB 4.49Å; R765-V791 HydrophobicContact CB-CG1 4.41Å; R765-V791 HydrophobicContact CG-CB 3.92Å; R765-V791 HydrophobicContact CG-CG1 4Å; R765-V791 HydrophobicContact CG-CG2 3.77Å; R765-V791 VanDerWaalsContact NE-CG2 3.28Å; A768-V791 HydrophobicContact CB-CG1 3.92Å; V769-V791 HydrophobicContact CG2-CG1 4.39Å; Y789-V791 HydrophobicContact CD2-CG1 4Å; Y789-V791 HydrophobicContact CD2-CG2 4.06Å; Y789-V791 HydrophobicContact CE2-CG2 3.85Å; V791-F793 PolarHBondContact O-N 2.82Å; V791-D794 HydrophobicContact CG2-CB 3.68Å; V791-D794 PolarHBondContact N-O 2.84Å; V791-D794 PolarHBondContact O-N 2.79Å; V791-T808 HydrophobicContact CB-CG2 4.21Å; V791-T808 HydrophobicContact CG1-CG2 3.75Å |
| 792 | R | 72.9 | Confident | 85 | Confident | 94 Ų | 94 | 62.5 Ų | 62.5 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 117.8 | -176.9 | -170.1 | 175.9 | 174.2 | -169.1 | -8.5 | 110.6 | P1157 | R792-P1157 PolarHBondContact NH2-O 3.49Š|
| 793 | F | 69.1 | Low | 85.5 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 21% | 0.211 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 16.5 | 179.5 | -44.5 | -47 | 0 | 0 | 0 | 115.7 | V791 P1157 I1251 Q1254 | V791-F793 PolarHBondContact O-N 2.82Å; F793-P1157 HydrophobicContact CE1-CB 4.34Å; F793-P1157 HydrophobicContact CE1-CG 4.29Å; F793-I1251 HydrophobicContact CD2-CD1 4.32Å; F793-I1251 HydrophobicContact CD2-CG1 4.06Å; F793-I1251 HydrophobicContact CE2-CD1 3.93Å; F793-I1251 HydrophobicContact CE2-CG1 3.87Å; F793-I1251 HydrophobicContact CZ-CG1 4.28Å; F793-Q1254 VanDerWaalsContact CE1-OE1 3.29Å |
| 794 | D | 71.5 | Confident | 86.2 | Confident | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 108.2 | -175 | -171.3 | 13.8 | 0 | 0 | 0 | 109.7 | R765 Y789 V791 | R765-D794 IonicContact CZ-OD2 2.93Å; R765-D794 IonicContact NH2-OD2 3.97Å; R765-D794 PolarHBondContact NH2-OD2 2.9Å; Y789-D794 HydrophobicContact CE2-CB 4.42Å; Y789-D794 PolarHBondContact OH-OD1 3.29Å; Y789-D794 PolarHBondContact OH-OD2 3.06Å; Y789-D794 VanDerWaalsContact OH-OD2 3.09Å; V791-D794 HydrophobicContact CG2-CB 3.68Å; V791-D794 PolarHBondContact N-O 2.84Å; V791-D794 PolarHBondContact O-N 2.79Å |
| 795 | D | 84.2 | Confident | 86.9 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.5 | -177.3 | -174.4 | -22.3 | 0 | 0 | 0 | 108.5 | V790 T797 | V790-D795 HydrophobicContact CG1-CB 4.09Å; V790-D795 HydrophobicContact CG2-CB 4.35Å; V790-D795 WeakPolarHBondContact CG2-OD1 3.49Å; D795-T797 WeakPolarHBondContact OD1-CB 3.37Å; D795-T797 PolarHBondContact OD1-N 2.82Å; D795-T797 VanDerWaalsContact OD1-N 3.11Å; D795-T797 PolarHBondContact OD1-OG1 3.39Å |
| 796 | F | 87 | Confident | 87.3 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 60.4 | 179.2 | -154.5 | -105.4 | 0 | 0 | 0 | 109.8 | F783 G784 G788 Y789 | F783-F796 VanDerWaalsContact C-CE1 3.45Å; F783-F796 HydrophobicContact CB-CE1 4.04Å; F783-F796 AromaticContact CD1-CD1 3.52Å; F783-F796 HydrophobicContact CD1-CD1 3.52Å; F783-F796 AromaticContact CD1-CE1 3.27Å; F783-F796 HydrophobicContact CD1-CE1 3.27Å; F783-F796 HydrophobicContact CD1-CZ 4.25Å; F783-F796 HydrophobicContact CD2-CD1 4.43Å; F783-F796 AromaticContact CE1-CD1 3.67Å; F783-F796 HydrophobicContact CE1-CD1 3.67Å; F783-F796 AromaticContact CE1-CE1 3.88Å; F783-F796 HydrophobicContact CE1-CE1 3.88Å; F783-F796 HydrophobicContact CE1-CG 4.49Å; F783-F796 AromaticContact CG-CD1 3.95Å; F783-F796 HydrophobicContact CG-CD1 3.95Å; F783-F796 AromaticContact CG-CE1 3.7Å; F783-F796 HydrophobicContact CG-CE1 3.7Å; F783-F796 HydrophobicContact CZ-CD1 4.22Å; F783-F796 VanDerWaalsContact O-CE1 3.26Å; F783-F796 WeakPolarHBondContact O-CE1 3.44Å; G784-F796 WeakPolarHBondContact CA-O 3.32Å; G788-F796 VanDerWaalsContact CA-O 3.25Å; G788-F796 WeakPolarHBondContact CA-O 3.33Å; Y789-F796 HydrophobicContact CD1-CB 3.83Å; Y789-F796 HydrophobicContact CE1-CB 3.42Å; Y789-F796 VanDerWaalsContact CE1-CB 3.42Å; Y789-F796 HydrophobicContact CE1-CD1 4.32Å; Y789-F796 HydrophobicContact CE1-CG 4.07Å; Y789-F796 HydrophobicContact CE2-CB 4.34Å; Y789-F796 HydrophobicContact CG-CB 4.46Å; Y789-F796 PolarHBondContact N-O 3.31Å; Y789-F796 PolarHBondContact O-N 3.47Å |
| 797 | T | 87.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | trans | -129.7 | 155.1 | 177 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | V790 D795 T802 K805 | V790-T797 HydrophobicContact CG2-CG2 3.61Å; D795-T797 WeakPolarHBondContact OD1-CB 3.37Å; D795-T797 PolarHBondContact OD1-N 2.82Å; D795-T797 VanDerWaalsContact OD1-N 3.11Å; D795-T797 PolarHBondContact OD1-OG1 3.39Å; T797-T802 HydrophobicContact CG2-CG2 4.23Å; T797-K805 HydrophobicContact CG2-CD 4.38Å; T797-K805 HydrophobicContact CG2-CG 4.08Å | ||
| 798 | K | 85.9 | Confident | 87.4 | Confident | 112 Ų | 112 | 52.7 Ų | 52.7 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | trans | -114.8 | 123.3 | 169.2 | -74 | -174.3 | -175.6 | -173.6 | 0 | 108.6 | G784 Q785 E800 S801 T802 | G784-K798 WeakPolarHBondContact O-CG 3.15Å; G784-K798 PolarHBondContact O-N 2.6Å; Q785-K798 HydrophobicContact CG-CD 4.28Å; K798-E800 PolarHBondContact O-N 2.88Å; K798-E800 VanDerWaalsContact O-N 3.1Å; K798-S801 VanDerWaalsContact CB-OG 3.24Å; K798-S801 WeakPolarHBondContact CB-OG 3.48Å; K798-S801 PolarHBondContact O-N 3.08Å; K798-T802 PolarHBondContact N-OG1 2.86Å; K798-T802 WeakPolarHBondContact O-CB 3.49Å; K798-T802 PolarHBondContact O-N 3.23Å; K798-T802 PolarHBondContact O-OG1 2.88Å; K798-T802 VanDerWaalsContact O-OG1 3.06Å | ||
| 799 | R | 80 | Confident | 87.3 | Confident | 207 Ų | 207 | 53 Ų | 53 | 78% | 0.781 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -41.4 | -169.6 | -167.2 | 175.5 | -174.1 | -178.1 | 0.1 | 113.5 | K757 | K757-R799 PolarHBondContact NZ-O 2.9Š|
| 800 | E | 81.9 | Confident | 87.2 | Confident | 189 Ų | 189 | 53.2 Ų | 53.2 | 88% | 0.883 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -34.9 | -174.6 | -63.2 | 178.8 | 178.8 | 0 | 0 | 113.7 | K798 | K798-E800 PolarHBondContact O-N 2.88Å; K798-E800 VanDerWaalsContact O-N 3.1Å |
| 801 | S | 88.9 | Confident | 87.2 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -23.3 | -172.2 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | Q785 E786 K798 K803 | Q785-S801 CarbonylContact O-C 3.46Å; E786-S801 WeakPolarHBondContact CA-O 3.38Å; K798-S801 VanDerWaalsContact CB-OG 3.24Å; K798-S801 WeakPolarHBondContact CB-OG 3.48Å; K798-S801 PolarHBondContact O-N 3.08Å; S801-K803 PolarHBondContact O-N 3.42Å |
| 802 | T | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -71.8 | 116.5 | -178 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | K757 G784 Q785 T797 K798 I804 K805 | K757-T802 VanDerWaalsContact CD-O 3.22Å; K757-T802 WeakPolarHBondContact CD-O 3.45Å; K757-T802 WeakPolarHBondContact CE-O 3.1Å; K757-T802 WeakPolarHBondContact CG-O 3.41Å; G784-T802 PolarHBondContact O-OG1 3.42Å; Q785-T802 WeakPolarHBondContact O-CA 3.34Å; Q785-T802 VanDerWaalsContact O-CB 3.32Å; Q785-T802 WeakPolarHBondContact O-CB 3.14Å; Q785-T802 PolarHBondContact O-N 3.3Å; Q785-T802 VanDerWaalsContact O-N 3.1Å; Q785-T802 PolarHBondContact O-OG1 3.35Å; T797-T802 HydrophobicContact CG2-CG2 4.23Å; K798-T802 PolarHBondContact N-OG1 2.86Å; K798-T802 WeakPolarHBondContact O-CB 3.49Å; K798-T802 PolarHBondContact O-N 3.23Å; K798-T802 PolarHBondContact O-OG1 2.88Å; K798-T802 VanDerWaalsContact O-OG1 3.06Å; T802-I804 VanDerWaalsContact CG2-O 3.31Å; T802-I804 WeakPolarHBondContact CG2-O 3.41Å; T802-K805 HydrophobicContact CG2-CB 4.3Å | ||
| 803 | K | 94.7 | Very high | 88.5 | Confident | 69 Ų | 69 | 49 Ų | 49 | 30% | 0.3 | 24% | 0.236 | S | C | . | . | trans | -103.9 | -36.4 | 178.6 | -63.6 | -58.3 | -170.1 | 166.4 | 0 | 112.5 | L748 A753 K757 I758 E786 S801 | L748-K803 HydrophobicContact CD1-CB 3.79Å; L748-K803 HydrophobicContact CD1-CG 4.3Å; A753-K803 HydrophobicContact CB-CB 4.2Å; A753-K803 HydrophobicContact CB-CD 4.32Å; A753-K803 PolarHBondContact O-NZ 3.4Å; A753-K803 VanDerWaalsContact O-NZ 3.15Å; K757-K803 WeakPolarHBondContact CA-O 3.36Å; I758-K803 PolarHBondContact N-O 2.74Å; E786-K803 HydrophobicContact CG-CB 4.23Å; E786-K803 HydrophobicContact CG-CG 4.37Å; E786-K803 PolarHBondContact O-N 2.89Å; S801-K803 PolarHBondContact O-N 3.42Å | ||
| 804 | I | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.1 | 173.1 | -57.1 | 173.9 | 0 | 0 | 0 | 108.6 | P744 L748 I758 V775 E786 V787 G788 T802 Y806 | P744-I804 HydrophobicContact CB-CD1 4.12Å; P744-I804 HydrophobicContact CB-CG2 3.91Å; L748-I804 HydrophobicContact CB-CD1 4.08Å; L748-I804 HydrophobicContact CB-CG1 4.41Å; L748-I804 HydrophobicContact CD2-CD1 3.71Å; L748-I804 HydrophobicContact CD2-CG1 4.11Å; L748-I804 HydrophobicContact CG-CD1 4.48Å; I758-I804 HydrophobicContact CB-CG1 4.49Å; I758-I804 HydrophobicContact CD1-CG1 4.34Å; V775-I804 HydrophobicContact CG1-CD1 4.36Å; E786-I804 PolarHBondContact O-N 2.94Å; V787-I804 WeakPolarHBondContact CA-O 3.32Å; V787-I804 HydrophobicContact CG1-CB 4.47Å; V787-I804 HydrophobicContact CG2-CB 4.35Å; V787-I804 HydrophobicContact CG2-CD1 4.43Å; G788-I804 PolarHBondContact N-O 3.44Å; T802-I804 VanDerWaalsContact CG2-O 3.31Å; T802-I804 WeakPolarHBondContact CG2-O 3.41Å; I804-Y806 HydrophobicContact CG2-CD2 4.15Å; I804-Y806 HydrophobicContact CG2-CE2 3.57Å |
| 805 | K | 96.3 | Very high | 90.2 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 114.9 | -176 | -169.8 | 179 | 171.5 | -168.7 | 0 | 110.4 | I758 C759 V760 G788 V790 T797 T802 V807 E815 Y825 | I758-K805 PolarHBondContact O-N 3.29Å; C759-K805 WeakPolarHBondContact CA-O 3.25Å; V760-K805 PolarHBondContact N-O 2.68Å; G788-K805 WeakPolarHBondContact O-CA 3.41Å; V790-K805 HydrophobicContact CG2-CD 4.41Å; V790-K805 HydrophobicContact CG2-CG 4.48Å; T797-K805 HydrophobicContact CG2-CD 4.38Å; T797-K805 HydrophobicContact CG2-CG 4.08Å; T802-K805 HydrophobicContact CG2-CB 4.3Å; K805-V807 HydrophobicContact CD-CG1 4.19Å; K805-V807 HydrophobicContact CG-CG1 3.87Å; K805-E815 IonicContact NZ-OE1 2.8Å; K805-E815 PolarHBondContact NZ-OE1 3.32Å; K805-E815 IonicContact NZ-OE2 3.66Å; K805-Y825 HydrophobicContact CD-CE1 4.32Å; K805-Y825 WeakPolarHBondContact CD-OH 3.41Å; K805-Y825 PolarHBondContact NZ-OH 3.29Å |
| 806 | Y | 96.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.3 | 173 | -70.3 | -96 | 0 | 0 | 0 | 110 | S740 V760 L771 A772 V775 V787 G788 Y789 V790 I804 | S740-Y806 PolarHBondContact O-OH 3.47Å; V760-Y806 HydrophobicContact CB-CD1 3.65Å; V760-Y806 HydrophobicContact CB-CE1 3.72Å; V760-Y806 HydrophobicContact CB-CG 4.3Å; V760-Y806 HydrophobicContact CG1-CD1 3.84Å; V760-Y806 HydrophobicContact CG1-CE1 3.72Å; V760-Y806 HydrophobicContact CG2-CD1 4.28Å; V760-Y806 HydrophobicContact CG2-CE1 3.92Å; V760-Y806 CarbonylContact O-C 3.55Å; V760-Y806 WeakPolarHBondContact O-CA 3.4Å; L771-Y806 HydrophobicContact CB-CD1 3.96Å; L771-Y806 HydrophobicContact CB-CE1 3.72Å; L771-Y806 HydrophobicContact CD1-CE1 4.38Å; A772-Y806 HydrophobicContact CB-CD2 3.53Å; A772-Y806 HydrophobicContact CB-CE2 4.26Å; A772-Y806 HydrophobicContact CB-CG 3.92Å; V775-Y806 HydrophobicContact CB-CE2 4.36Å; V775-Y806 VanDerWaalsContact CG2-OH 3.29Å; V775-Y806 WeakPolarHBondContact CG2-OH 3.25Å; V787-Y806 HydrophobicContact CG1-CD2 4.28Å; V787-Y806 HydrophobicContact CG1-CE2 4.01Å; G788-Y806 PolarHBondContact O-N 3.02Å; Y789-Y806 CarbonylContact C-O 3.57Å; Y789-Y806 WeakPolarHBondContact CA-O 3.41Å; Y789-Y806 WeakPolarHBondContact CB-O 3.26Å; V790-Y806 PolarHBondContact N-O 3.29Å; I804-Y806 HydrophobicContact CG2-CD2 4.15Å; I804-Y806 HydrophobicContact CG2-CE2 3.57Å |
| 807 | V | 95.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.4 | -177.8 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | C759 V760 S761 E762 V790 K805 I811 L812 | C759-V807 VanDerWaalsContact SG-CG2 3.52Å; V760-V807 PolarHBondContact O-N 2.7Å; S761-V807 CarbonylContact C-O 3.1Å; S761-V807 VanDerWaalsContact CA-O 3.32Å; S761-V807 WeakPolarHBondContact CA-O 3.2Å; E762-V807 PolarHBondContact N-O 2.82Å; V790-V807 HydrophobicContact CB-CG1 4.1Å; V790-V807 VanDerWaalsContact O-CA 3.29Å; V790-V807 WeakPolarHBondContact O-CA 3.09Å; K805-V807 HydrophobicContact CD-CG1 4.19Å; K805-V807 HydrophobicContact CG-CG1 3.87Å; V807-I811 HydrophobicContact CB-CB 4.35Å; V807-I811 HydrophobicContact CB-CG2 4.16Å; V807-I811 HydrophobicContact CG1-CG2 4.28Å; V807-L812 HydrophobicContact CG2-CB 3.89Å; V807-L812 HydrophobicContact CG2-CD2 4.49Å |
| 808 | T | 92.7 | Very high | 90.4 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 147.3 | 163.9 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | E762 R765 V790 V791 G810 I811 L812 | E762-T808 VanDerWaalsContact O-CA 3.23Å; E762-T808 WeakPolarHBondContact O-CA 3.41Å; R765-T808 HydrophobicContact CB-CG2 4.27Å; V790-T808 PolarHBondContact O-N 3.29Å; V791-T808 HydrophobicContact CB-CG2 4.21Å; V791-T808 HydrophobicContact CG1-CG2 3.75Å; T808-G810 PolarHBondContact O-N 3.34Å; T808-G810 VanDerWaalsContact O-N 3.1Å; T808-I811 WeakPolarHBondContact O-CA 3.42Å; T808-I811 WeakPolarHBondContact O-CB 3.39Å; T808-I811 PolarHBondContact O-N 3.2Å; T808-I811 VanDerWaalsContact OG1-CG1 3.25Å; T808-I811 WeakPolarHBondContact OG1-CG1 3.28Å; T808-L812 PolarHBondContact O-N 3.49Å |
| 809 | D | 92.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -49.2 | -43 | -179.4 | -64.1 | -20.7 | 0 | 0 | 0 | 113.4 | S761 E762 I811 L812 V813 N839 T840 L843 | S761-D809 WeakPolarHBondContact CB-OD1 3.35Å; S761-D809 PolarHBondContact OG-OD1 3.06Å; E762-D809 PolarHBondContact O-N 2.96Å; D809-I811 VanDerWaalsContact C-N 3.28Å; D809-I811 PolarHBondContact O-N 3.46Å; D809-L812 PolarHBondContact O-N 3.1Å; D809-L812 VanDerWaalsContact O-N 3.13Å; D809-V813 WeakPolarHBondContact O-CG2 3.42Å; D809-V813 PolarHBondContact O-N 3.45Å; D809-N839 HydrophobicContact CB-CB 3.9Å; D809-T840 WeakPolarHBondContact OD2-CB 3.45Å; D809-T840 PolarHBondContact OD2-OG1 3.43Å; D809-L843 HydrophobicContact CB-CD2 4.32Å |
| 810 | G | 89.1 | Confident | 91 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -25.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T808 R814 | T808-G810 PolarHBondContact O-N 3.34Å; T808-G810 VanDerWaalsContact O-N 3.1Å; G810-R814 PolarHBondContact O-N 2.61Å |
| 811 | I | 91.3 | Very high | 91.5 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.087 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.4 | -43 | 171.3 | -68.4 | -67.1 | 0 | 0 | 0 | 109.8 | V790 V807 T808 D809 V813 R814 E815 | V790-I811 HydrophobicContact CB-CG2 4.1Å; V790-I811 HydrophobicContact CG1-CD1 4.47Å; V790-I811 HydrophobicContact CG1-CG2 3.78Å; V807-I811 HydrophobicContact CB-CB 4.35Å; V807-I811 HydrophobicContact CB-CG2 4.16Å; V807-I811 HydrophobicContact CG1-CG2 4.28Å; T808-I811 WeakPolarHBondContact O-CA 3.42Å; T808-I811 WeakPolarHBondContact O-CB 3.39Å; T808-I811 PolarHBondContact O-N 3.2Å; T808-I811 VanDerWaalsContact OG1-CG1 3.25Å; T808-I811 WeakPolarHBondContact OG1-CG1 3.28Å; D809-I811 VanDerWaalsContact C-N 3.28Å; D809-I811 PolarHBondContact O-N 3.46Å; I811-V813 PolarHBondContact O-N 3.03Å; I811-R814 CarbonylContact O-C 3.58Å; I811-R814 WeakPolarHBondContact O-CB 3.41Å; I811-R814 PolarHBondContact O-N 3.2Å; I811-R814 VanDerWaalsContact O-N 3.12Å; I811-E815 PolarHBondContact O-N 3.43Å |
| 812 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.5 | -171.5 | 52.7 | 0 | 0 | 0 | 111.9 | V807 T808 D809 R814 E815 I816 L822 Y825 V828 L843 | V807-L812 HydrophobicContact CG2-CB 3.89Å; V807-L812 HydrophobicContact CG2-CD2 4.49Å; T808-L812 PolarHBondContact O-N 3.49Å; D809-L812 PolarHBondContact O-N 3.1Å; D809-L812 VanDerWaalsContact O-N 3.13Å; L812-R814 VanDerWaalsContact C-N 3.29Å; L812-R814 PolarHBondContact O-N 3.28Å; L812-E815 WeakPolarHBondContact O-CB 3.48Å; L812-E815 PolarHBondContact O-N 3.36Å; L812-E815 VanDerWaalsContact O-N 3.11Å; L812-I816 WeakPolarHBondContact O-CG1 3.39Å; L812-I816 PolarHBondContact O-N 2.94Å; L812-L822 HydrophobicContact CD1-CD1 4.25Å; L812-L822 HydrophobicContact CD1-CD2 4.01Å; L812-Y825 HydrophobicContact CD1-CE2 4.24Å; L812-V828 HydrophobicContact CD2-CG1 3.9Å; L812-L843 HydrophobicContact CB-CD1 4.32Å; L812-L843 HydrophobicContact CD2-CD1 3.71Å; L812-L843 HydrophobicContact CD2-CD2 3.86Å; L812-L843 HydrophobicContact CD2-CG 4.4Å; L812-L843 HydrophobicContact CG-CD1 3.78Å; L812-L843 HydrophobicContact CG-CD2 4.5Å |
| 813 | V | 91.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 172.3 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | D809 I811 E815 I816 M817 I842 L843 L846 | D809-V813 WeakPolarHBondContact O-CG2 3.42Å; D809-V813 PolarHBondContact O-N 3.45Å; I811-V813 PolarHBondContact O-N 3.03Å; V813-E815 VanDerWaalsContact C-N 3.34Å; V813-E815 PolarHBondContact O-N 3.11Å; V813-I816 WeakPolarHBondContact O-CB 3.45Å; V813-I816 PolarHBondContact O-N 2.87Å; V813-M817 WeakPolarHBondContact O-CG 3.46Å; V813-M817 PolarHBondContact O-N 2.68Å; V813-M817 VanDerWaalsContact O-N 3.11Å; V813-I842 HydrophobicContact CG1-CG2 4.36Å; V813-I842 HydrophobicContact CG2-CG2 4.3Å; V813-L843 HydrophobicContact CG2-CB 4.01Å; V813-L843 HydrophobicContact CG2-CD1 4.48Å; V813-L846 HydrophobicContact CG1-CD1 4.34Å |
| 814 | R | 86 | Confident | 91.6 | Very high | 78 Ų | 78 | 39.2 Ų | 39.2 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.7 | -32.1 | 176.3 | -175.1 | 177.3 | -70.4 | 162.5 | -0.2 | 112.9 | G810 I811 L812 M817 R818 P1157 | G810-R814 PolarHBondContact O-N 2.61Å; I811-R814 CarbonylContact O-C 3.58Å; I811-R814 WeakPolarHBondContact O-CB 3.41Å; I811-R814 PolarHBondContact O-N 3.2Å; I811-R814 VanDerWaalsContact O-N 3.12Å; L812-R814 VanDerWaalsContact C-N 3.29Å; L812-R814 PolarHBondContact O-N 3.28Å; R814-M817 WeakPolarHBondContact O-CB 2.94Å; R814-M817 PolarHBondContact O-N 3.19Å; R814-R818 PolarHBondContact O-N 2.88Å; R814-P1157 VanDerWaalsContact NH2-CB 3.33Å |
| 815 | E | 90.1 | Very high | 91.6 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 172.1 | -73.8 | -175.2 | -171.4 | 0 | 0 | 111.7 | K805 I811 L812 V813 M817 R818 N819 L822 Y825 | K805-E815 IonicContact NZ-OE1 2.8Å; K805-E815 PolarHBondContact NZ-OE1 3.32Å; K805-E815 IonicContact NZ-OE2 3.66Å; I811-E815 PolarHBondContact O-N 3.43Å; L812-E815 WeakPolarHBondContact O-CB 3.48Å; L812-E815 PolarHBondContact O-N 3.36Å; L812-E815 VanDerWaalsContact O-N 3.11Å; V813-E815 VanDerWaalsContact C-N 3.34Å; V813-E815 PolarHBondContact O-N 3.11Å; E815-M817 PolarHBondContact O-N 3.31Å; E815-R818 PolarHBondContact O-N 3.36Å; E815-N819 PolarHBondContact O-N 3.37Å; E815-L822 HydrophobicContact CB-CD2 4.49Å; E815-Y825 WeakPolarHBondContact OE2-CE2 3.31Å; E815-Y825 PolarHBondContact OE2-OH 3.37Å |
| 816 | I | 92.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -37.9 | 171.7 | -63.3 | 169.8 | 0 | 0 | 0 | 110.4 | L812 V813 R818 N819 P820 L822 L843 L846 I850 L1107 | L812-I816 WeakPolarHBondContact O-CG1 3.39Å; L812-I816 PolarHBondContact O-N 2.94Å; V813-I816 WeakPolarHBondContact O-CB 3.45Å; V813-I816 PolarHBondContact O-N 2.87Å; I816-R818 PolarHBondContact O-N 3.49Å; I816-N819 CarbonylContact O-C 3.57Å; I816-N819 PolarHBondContact O-N 3.4Å; I816-P820 WeakPolarHBondContact O-CA 3.32Å; I816-L822 HydrophobicContact CD1-CD1 4.18Å; I816-L822 HydrophobicContact CG1-CD1 3.85Å; I816-L822 HydrophobicContact CG1-CD2 3.64Å; I816-L822 HydrophobicContact CG1-CG 3.79Å; I816-L843 HydrophobicContact CD1-CD1 3.73Å; I816-L846 HydrophobicContact CD1-CB 4.07Å; I816-L846 HydrophobicContact CD1-CD1 4.05Å; I816-L846 HydrophobicContact CG2-CD1 4.37Å; I816-I850 HydrophobicContact CD1-CD1 4.06Å; I816-I850 HydrophobicContact CG1-CD1 4.2Å; I816-I850 HydrophobicContact CG2-CD1 4.18Å; I816-L1107 HydrophobicContact CG2-CD2 3.92Å |
| 817 | M | 84.9 | Confident | 91.5 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 29% | 0.291 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.3 | -32.3 | 175.6 | -63.9 | 175.2 | 65.7 | 0 | 0 | 113.4 | V813 R814 E815 S1106 L1107 | V813-M817 WeakPolarHBondContact O-CG 3.46Å; V813-M817 PolarHBondContact O-N 2.68Å; V813-M817 VanDerWaalsContact O-N 3.11Å; R814-M817 WeakPolarHBondContact O-CB 2.94Å; R814-M817 PolarHBondContact O-N 3.19Å; E815-M817 PolarHBondContact O-N 3.31Å; M817-S1106 WeakPolarHBondContact CE-OG 3.34Å; M817-L1107 HydrophobicContact CB-CD2 4.05Å; M817-L1107 HydrophobicContact CG-CD1 4.32Å; M817-L1107 HydrophobicContact CG-CD2 3.49Å; M817-L1107 VanDerWaalsContact CG-CD2 3.49Å; M817-L1107 HydrophobicContact CG-CG 3.78Å |
| 818 | R | 85.6 | Confident | 91.6 | Very high | 196 Ų | 196 | 39.4 Ų | 39.4 | 74% | 0.74 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -88.8 | -35.8 | 178.4 | -65.1 | 177.3 | 178.3 | 176.2 | -2.2 | 112.4 | R814 E815 I816 | R814-R818 PolarHBondContact O-N 2.88Å; E815-R818 PolarHBondContact O-N 3.36Å; I816-R818 PolarHBondContact O-N 3.49Å |
| 819 | N | 89.9 | Confident | 91.8 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | trans | -133.5 | 84.1 | -178.6 | -176.5 | -4.1 | 0 | 0 | 0 | 109.4 | E815 I816 L821 L822 T823 | E815-N819 PolarHBondContact O-N 3.37Å; I816-N819 CarbonylContact O-C 3.57Å; I816-N819 PolarHBondContact O-N 3.4Å; N819-L821 PolarHBondContact O-N 3.32Å; N819-L822 PolarHBondContact O-N 3.36Å; N819-L822 PolarHBondContact OD1-N 2.99Å; N819-T823 PolarHBondContact ND2-N 3.44Å; N819-T823 VanDerWaalsContact ND2-N 3.12Å; N819-T823 PolarHBondContact ND2-OG1 3.16Å; N819-T823 PolarHBondContact OD1-N 3.39Å; N819-T823 PolarHBondContact OD1-OG1 3.41Å | ||
| 820 | P | 89.8 | Confident | 92 | Very high | 78 Ų | 78 | 38.3 Ų | 38.3 | 51% | 0.506 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21 | -172.1 | -28.6 | 36.5 | 0 | 0 | 0 | 115.6 | I816 I850 | I816-P820 WeakPolarHBondContact O-CA 3.32Å; P820-I850 WeakPolarHBondContact O-CD1 3.17Å; P820-I850 WeakPolarHBondContact O-CG1 3.4Å |
| 821 | L | 92.4 | Very high | 92.2 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 44% | 0.435 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 3.3 | 179.8 | -61.8 | 179.5 | 0 | 0 | 0 | 113.2 | N819 T823 K853 R854 | N819-L821 PolarHBondContact O-N 3.32Å; L821-T823 HydrophobicContact CB-CG2 4Å; L821-T823 PolarHBondContact O-N 3.44Å; L821-T823 VanDerWaalsContact O-N 3.17Å; L821-K853 HydrophobicContact CD2-CB 4.4Å; L821-R854 WeakPolarHBondContact O-CD 3.45Å; L821-R854 PolarHBondContact O-NH1 2.87Å |
| 822 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | 51 | 38.8 | 179.2 | -71 | -179 | 0 | 0 | 0 | 113 | L812 E815 I816 N819 E824 Y825 V828 L847 I850 R854 | L812-L822 HydrophobicContact CD1-CD1 4.25Å; L812-L822 HydrophobicContact CD1-CD2 4.01Å; E815-L822 HydrophobicContact CB-CD2 4.49Å; I816-L822 HydrophobicContact CD1-CD1 4.18Å; I816-L822 HydrophobicContact CG1-CD1 3.85Å; I816-L822 HydrophobicContact CG1-CD2 3.64Å; I816-L822 HydrophobicContact CG1-CG 3.79Å; N819-L822 PolarHBondContact O-N 3.36Å; N819-L822 PolarHBondContact OD1-N 2.99Å; L822-E824 PolarHBondContact O-N 3.05Å; L822-Y825 HydrophobicContact CB-CD2 4.1Å; L822-Y825 HydrophobicContact CD2-CD2 4.04Å; L822-Y825 HydrophobicContact CD2-CE2 4.12Å; L822-Y825 PolarHBondContact O-N 2.84Å; L822-V828 HydrophobicContact CD1-CG2 4.27Å; L822-L847 HydrophobicContact CD1-CD2 3.94Å; L822-I850 HydrophobicContact CD1-CD1 4.06Å; L822-I850 HydrophobicContact CG-CD1 4.2Å; L822-R854 VanDerWaalsContact C-NH1 3.29Å; L822-R854 PolarHBondContact O-NH1 2.86Å | ||
| 823 | T | 92.9 | Very high | 91.7 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 52% | 0.521 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.8 | -170.3 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | N819 L821 Y825 | N819-T823 PolarHBondContact ND2-N 3.44Å; N819-T823 VanDerWaalsContact ND2-N 3.12Å; N819-T823 PolarHBondContact ND2-OG1 3.16Å; N819-T823 PolarHBondContact OD1-N 3.39Å; N819-T823 PolarHBondContact OD1-OG1 3.41Å; L821-T823 HydrophobicContact CB-CG2 4Å; L821-T823 PolarHBondContact O-N 3.44Å; L821-T823 VanDerWaalsContact O-N 3.17Å; T823-Y825 VanDerWaalsContact C-N 3.29Å; T823-Y825 PolarHBondContact O-N 3.26Å |
| 824 | E | 91.7 | Very high | 91.4 | Very high | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.7 | 175.9 | -60.6 | -168.6 | 169.9 | 0 | 0 | 113.8 | G756 K757 L822 | G756-E824 CarbonylContact C-O 3.6Å; G756-E824 WeakPolarHBondContact CA-O 3.24Å; K757-E824 PolarHBondContact N-O 2.96Å; L822-E824 PolarHBondContact O-N 3.05Å |
| 825 | Y | 95.3 | Very high | 91 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.7 | -175.9 | -56.6 | -64.8 | 0 | 0 | 0 | 111.7 | K757 C759 K805 L812 E815 L822 T823 R854 | K757-Y825 HydrophobicContact CB-CD1 3.71Å; K757-Y825 HydrophobicContact CB-CE1 3.95Å; K757-Y825 VanDerWaalsContact O-CA 3.28Å; K757-Y825 WeakPolarHBondContact O-CA 3.4Å; C759-Y825 HydrophobicContact CB-CD1 3.55Å; C759-Y825 HydrophobicContact CB-CD2 4.33Å; C759-Y825 HydrophobicContact CB-CE1 3.64Å; C759-Y825 HydrophobicContact CB-CE2 4.39Å; C759-Y825 HydrophobicContact CB-CG 3.93Å; K805-Y825 HydrophobicContact CD-CE1 4.32Å; K805-Y825 WeakPolarHBondContact CD-OH 3.41Å; K805-Y825 PolarHBondContact NZ-OH 3.29Å; L812-Y825 HydrophobicContact CD1-CE2 4.24Å; E815-Y825 WeakPolarHBondContact OE2-CE2 3.31Å; E815-Y825 PolarHBondContact OE2-OH 3.37Å; L822-Y825 HydrophobicContact CB-CD2 4.1Å; L822-Y825 HydrophobicContact CD2-CD2 4.04Å; L822-Y825 HydrophobicContact CD2-CE2 4.12Å; L822-Y825 PolarHBondContact O-N 2.84Å; T823-Y825 VanDerWaalsContact C-N 3.29Å; T823-Y825 PolarHBondContact O-N 3.26Å; Y825-R854 PolarHBondContact O-NH1 2.87Å; Y825-R854 PolarHBondContact O-NH2 3.12Å |
| 826 | S | 95.2 | Very high | 90.9 | Very high | 17 Ų | 17 | 35 Ų | 35 | 12% | 0.119 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -31.3 | 170.9 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | W752 K757 R858 | W752-S826 VanDerWaalsContact O-CB 3.24Å; W752-S826 WeakPolarHBondContact O-CB 3.49Å; W752-S826 PolarHBondContact O-OG 2.79Å; K757-S826 PolarHBondContact O-N 3.41Å; K757-S826 PolarHBondContact O-OG 2.9Å; S826-R858 PolarHBondContact O-N 3.13Å; S826-R858 VanDerWaalsContact O-N 3.1Å |
| 827 | V | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133 | 177.4 | -169 | 0 | 0 | 0 | 0 | 109.8 | L747 W752 C759 R858 I860 | L747-V827 HydrophobicContact CD1-CB 4.2Å; L747-V827 HydrophobicContact CD1-CG1 3.73Å; L747-V827 HydrophobicContact CD1-CG2 4.4Å; L747-V827 HydrophobicContact CD2-CG2 4.44Å; W752-V827 HydrophobicContact CB-CG2 4Å; W752-V827 HydrophobicContact CD2-CG2 4.1Å; W752-V827 HydrophobicContact CE3-CG2 3.7Å; W752-V827 HydrophobicContact CG-CG2 4.26Å; C759-V827 PolarHBondContact N-O 2.98Å; V827-R858 WeakPolarHBondContact CA-O 3.42Å; V827-R858 HydrophobicContact CG1-CB 4.24Å; V827-R858 HydrophobicContact CG2-CB 4.24Å; V827-I860 HydrophobicContact CG1-CD1 4.24Å; V827-I860 HydrophobicContact CG1-CG1 4.48Å |
| 828 | V | 97.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.2 | 169.7 | 177 | 0 | 0 | 0 | 0 | 108.2 | C759 L812 L822 V830 L847 L857 R858 L859 I860 | C759-V828 HydrophobicContact CB-CG2 4.24Å; C759-V828 CarbonylContact O-C 3.53Å; C759-V828 WeakPolarHBondContact O-CA 3.41Å; L812-V828 HydrophobicContact CD2-CG1 3.9Å; L822-V828 HydrophobicContact CD1-CG2 4.27Å; V828-V830 HydrophobicContact CG1-CG2 4.38Å; V828-L847 HydrophobicContact CG1-CD1 4.18Å; V828-L847 HydrophobicContact CG1-CD2 4.3Å; V828-L857 HydrophobicContact CG2-CD1 4.24Å; V828-R858 PolarHBondContact N-O 2.91Å; V828-L859 HydrophobicContact CB-CD1 4.37Å; V828-L859 HydrophobicContact CG1-CD1 4.33Å; V828-L859 CarbonylContact O-C 3.58Å; V828-L859 WeakPolarHBondContact O-CA 3.46Å; V828-L859 WeakPolarHBondContact O-CD1 3.03Å; V828-I860 PolarHBondContact O-N 2.99Å |
| 829 | M | 97 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.6 | 173.5 | 176.8 | 171.2 | 170.7 | 0 | 0 | 108.7 | K739 V743 P744 C759 V760 S761 D831 I860 | K739-M829 HydrophobicContact CB-CE 4.36Å; V743-M829 HydrophobicContact CB-SD 4.25Å; V743-M829 HydrophobicContact CG1-SD 4.21Å; P744-M829 HydrophobicContact CG-SD 4.3Å; C759-M829 PolarHBondContact O-N 3.24Å; V760-M829 CarbonylContact C-O 3.34Å; V760-M829 WeakPolarHBondContact CA-O 3.2Å; V760-M829 HydrophobicContact CG1-CB 4.46Å; V760-M829 HydrophobicContact CG1-CG 4.35Å; V760-M829 HydrophobicContact CG1-SD 4.46Å; V760-M829 HydrophobicContact CG2-CB 4.39Å; S761-M829 PolarHBondContact N-O 2.97Å; M829-D831 HydrophobicContact CE-CB 4.31Å; M829-D831 WeakPolarHBondContact CE-OD2 3.43Å; M829-I860 CarbonylContact C-O 3.25Å; M829-I860 VanDerWaalsContact CA-O 3.31Å; M829-I860 WeakPolarHBondContact CA-O 3.45Å; M829-I860 HydrophobicContact CB-CB 4.08Å; M829-I860 HydrophobicContact CG-CB 3.99Å; M829-I860 HydrophobicContact CG-CG2 4Å; M829-I860 HydrophobicContact SD-CG2 4.36Å |
| 830 | V | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 105.1 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | S761 V828 A833 T840 L843 L844 L847 L859 I860 S862 | S761-V830 WeakPolarHBondContact OG-CA 3.4Å; V828-V830 HydrophobicContact CG1-CG2 4.38Å; V830-A833 HydrophobicContact CG1-CB 4.29Å; V830-T840 HydrophobicContact CG1-CG2 3.97Å; V830-L843 HydrophobicContact CG2-CD2 4.02Å; V830-L844 HydrophobicContact CB-CD2 4.38Å; V830-L844 HydrophobicContact CG1-CD2 4.1Å; V830-L844 HydrophobicContact CG2-CD2 4.31Å; V830-L847 HydrophobicContact CG2-CD1 3.63Å; V830-L859 HydrophobicContact CG2-CD1 4.1Å; V830-I860 PolarHBondContact N-O 3.2Å; V830-S862 PolarHBondContact O-N 3.32Å |
| 831 | D | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -91.8 | 159.5 | -178.7 | -147.9 | -9.8 | 0 | 0 | 0 | 112.6 | S740 V760 S761 E762 M829 A833 S862 | S740-D831 WeakPolarHBondContact CA-OD2 3.42Å; S740-D831 WeakPolarHBondContact CB-OD2 3.49Å; S740-D831 PolarHBondContact OG-OD2 3.3Å; V760-D831 HydrophobicContact CG1-CB 4.46Å; S761-D831 WeakPolarHBondContact O-CB 3.27Å; S761-D831 PolarHBondContact O-N 3.48Å; E762-D831 VanDerWaalsContact OE1-CB 3.31Å; E762-D831 WeakPolarHBondContact OE1-CB 3.31Å; M829-D831 HydrophobicContact CE-CB 4.31Å; M829-D831 WeakPolarHBondContact CE-OD2 3.43Å; D831-A833 PolarHBondContact O-N 3.14Å; D831-S862 WeakPolarHBondContact OD1-CB 3.44Å; D831-S862 PolarHBondContact OD1-OG 2.86Å | ||
| 832 | E | 87.2 | Confident | 91.3 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 47.8 | 37.2 | -179 | -58.2 | -79.3 | 116.6 | 0 | 0 | 112.5 | P763 H834 E835 S862 S1001 | P763-E832 HydrophobicContact CG-CB 3.88Å; E832-H834 PolarHBondContact O-N 3.33Å; E832-H834 IonicContact OE1-CE1 3.94Å; E832-H834 IonicContact OE2-CE1 3.39Å; E832-H834 PolarHBondContact OE2-CE1 2.95Å; E832-H834 IonicContact OE2-NE2 3.51Å; E832-E835 HydrophobicContact CB-CG 4.48Å; E832-E835 PolarHBondContact O-N 3.36Å; E832-S862 PolarHBondContact N-O 3.23Å; E832-S1001 PolarHBondContact OE2-N 2.63Å |
| 833 | A | 89 | Confident | 91.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -60 | -15.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V830 D831 E835 R836 V861 S862 F871 | V830-A833 HydrophobicContact CG1-CB 4.29Å; D831-A833 PolarHBondContact O-N 3.14Å; A833-E835 VanDerWaalsContact C-N 3.27Å; A833-E835 PolarHBondContact O-N 2.93Å; A833-R836 WeakPolarHBondContact O-CD 3.19Å; A833-R836 PolarHBondContact O-N 3.25Å; A833-V861 HydrophobicContact CB-CG1 3.66Å; A833-S862 PolarHBondContact N-O 2.87Å; A833-F871 HydrophobicContact CB-CE1 4.17Å; A833-F871 HydrophobicContact CB-CE2 4.36Å; A833-F871 HydrophobicContact CB-CZ 3.83Å |
| 834 | H | 83.7 | Confident | 91.4 | Very high | 26 Ų | 26 | 14.6 Ų | 14.6 | 12% | 0.12 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -72.4 | -12.1 | 174 | 63.8 | -85.2 | 0 | 0 | 0 | 114.4 | E832 R836 A864 T865 Q1042 | E832-H834 PolarHBondContact O-N 3.33Å; E832-H834 IonicContact OE1-CE1 3.94Å; E832-H834 IonicContact OE2-CE1 3.39Å; E832-H834 PolarHBondContact OE2-CE1 2.95Å; E832-H834 IonicContact OE2-NE2 3.51Å; H834-R836 PolarHBondContact O-N 3.47Å; H834-A864 PolarHBondContact ND1-N 2.86Å; H834-T865 HydrophobicContact CB-CG2 4.11Å; H834-T865 VanDerWaalsContact CB-OG1 3.31Å; H834-T865 WeakPolarHBondContact CB-OG1 3.38Å; H834-Q1042 PolarHBondContact CD2-NE2 3.09Å; H834-Q1042 PolarHBondContact NE2-NE2 3.36Å; H834-Q1042 VanDerWaalsContact NE2-NE2 3.14Å |
| 835 | E | 78.8 | Confident | 91.4 | Very high | 37 Ų | 37 | 10.5 Ų | 10.5 | 17% | 0.173 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -66.4 | -27 | 171 | -71.1 | -154.1 | 160.8 | 0 | 0 | 112.2 | P763 R764 E832 A833 N837 A1000 | P763-E835 HydrophobicContact CB-CB 4.49Å; P763-E835 VanDerWaalsContact CB-OE2 3.23Å; P763-E835 WeakPolarHBondContact CB-OE2 3.49Å; P763-E835 HydrophobicContact CG-CB 4.37Å; P763-E835 HydrophobicContact CG-CG 4.11Å; P763-E835 VanDerWaalsContact CG-OE2 3.26Å; P763-E835 WeakPolarHBondContact CG-OE2 3.29Å; R764-E835 IonicContact CZ-OE1 3.15Å; R764-E835 IonicContact NE-OE1 3.44Å; R764-E835 PolarHBondContact NE-OE1 3.34Å; R764-E835 IonicContact NE-OE2 3.6Å; R764-E835 IonicContact NH2-OE1 3.34Å; R764-E835 PolarHBondContact NH2-OE1 3.01Å; E832-E835 HydrophobicContact CB-CG 4.48Å; E832-E835 PolarHBondContact O-N 3.36Å; A833-E835 VanDerWaalsContact C-N 3.27Å; A833-E835 PolarHBondContact O-N 2.93Å; E835-N837 VanDerWaalsContact C-N 3.32Å; E835-N837 PolarHBondContact O-N 3.45Å; E835-N837 PolarHBondContact OE2-ND2 2.94Å; E835-A1000 WeakPolarHBondContact OE1-CB 3.48Å |
| 836 | R | 86.9 | Confident | 91.3 | Very high | 13 Ų | 13 | 10.9 Ų | 10.9 | 5% | 0.049 | 6% | 0.057 | C | C | . | . | trans | 51.1 | 46.7 | 175 | -57.9 | -69.9 | -74.8 | -93.4 | 1.5 | 113.1 | A833 H834 D841 E870 P1090 E1091 S1119 | A833-R836 WeakPolarHBondContact O-CD 3.19Å; A833-R836 PolarHBondContact O-N 3.25Å; H834-R836 PolarHBondContact O-N 3.47Å; R836-D841 IonicContact NE-OD1 3.86Å; R836-D841 PolarHBondContact NE-OD1 3.11Å; R836-D841 IonicContact NE-OD2 3.84Å; R836-E870 IonicContact CZ-OE2 3.29Å; R836-E870 IonicContact NH1-OE2 3.97Å; R836-E870 PolarHBondContact NH1-OE2 3.22Å; R836-E870 IonicContact NH2-OE1 2.91Å; R836-E870 IonicContact NH2-OE2 2.86Å; R836-P1090 HydrophobicContact CB-CB 3.97Å; R836-P1090 HydrophobicContact CB-CG 4.28Å; R836-E1091 WeakPolarHBondContact O-CB 3.47Å; R836-E1091 PolarHBondContact O-N 2.84Å; R836-S1119 PolarHBondContact NH2-OG 3.36Å | ||
| 837 | N | 87.3 | Confident | 91.3 | Very high | 36 Ų | 36 | 10.1 Ų | 10.1 | 19% | 0.193 | 5% | 0.051 | C | C | . | . | trans | -73.7 | 158.9 | 173.6 | -62.4 | -26.5 | 0 | 0 | 0 | 110.6 | P763 E835 N839 T840 D841 E1091 | P763-N837 VanDerWaalsContact CB-ND2 3.31Å; P763-N837 WeakPolarHBondContact CB-ND2 3.4Å; E835-N837 VanDerWaalsContact C-N 3.32Å; E835-N837 PolarHBondContact O-N 3.45Å; E835-N837 PolarHBondContact OE2-ND2 2.94Å; N837-N839 VanDerWaalsContact C-N 3.31Å; N837-N839 PolarHBondContact O-N 3.35Å; N837-T840 WeakPolarHBondContact O-CB 3.48Å; N837-T840 PolarHBondContact O-N 3.4Å; N837-T840 VanDerWaalsContact O-N 3.09Å; N837-D841 PolarHBondContact O-N 3.26Å; N837-E1091 WeakPolarHBondContact CA-OE2 3.44Å; N837-E1091 WeakPolarHBondContact CB-OE2 3.13Å | ||
| 838 | V | 89.8 | Confident | 91.2 | Very high | 18 Ų | 18 | 13 Ų | 13 | 11% | 0.109 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | -176.7 | -179 | 0 | 0 | 0 | 0 | 112.1 | T840 D841 I842 E1091 T1095 A1100 | V838-T840 VanDerWaalsContact C-N 3.35Å; V838-D841 PolarHBondContact O-N 2.78Å; V838-I842 HydrophobicContact CG1-CD1 4.1Å; V838-I842 WeakPolarHBondContact O-CG1 3.43Å; V838-I842 PolarHBondContact O-N 3.27Å; V838-E1091 HydrophobicContact CG2-CB 3.93Å; V838-E1091 HydrophobicContact CG2-CG 3.65Å; V838-E1091 PolarHBondContact N-OE2 3.09Å; V838-T1095 WeakPolarHBondContact CG2-OG1 3.46Å; V838-A1100 HydrophobicContact CG1-CB 3.72Å |
| 839 | N | 91.1 | Very high | 91 | Very high | 59 Ų | 59 | 16.9 Ų | 16.9 | 32% | 0.316 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -66.5 | -37.3 | 179.3 | -66.6 | -46.2 | 0 | 0 | 0 | 111.9 | D809 N837 L843 | D809-N839 HydrophobicContact CB-CB 3.9Å; N837-N839 VanDerWaalsContact C-N 3.31Å; N837-N839 PolarHBondContact O-N 3.35Å; N839-L843 WeakPolarHBondContact O-CB 3.47Å; N839-L843 PolarHBondContact O-N 3.26Å |
| 840 | T | 91.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.6 | -49.6 | 176.2 | -38.9 | 0 | 0 | 0 | 0 | 110 | D809 V830 N837 V838 I842 L843 L844 | D809-T840 WeakPolarHBondContact OD2-CB 3.45Å; D809-T840 PolarHBondContact OD2-OG1 3.43Å; V830-T840 HydrophobicContact CG1-CG2 3.97Å; N837-T840 WeakPolarHBondContact O-CB 3.48Å; N837-T840 PolarHBondContact O-N 3.4Å; N837-T840 VanDerWaalsContact O-N 3.09Å; V838-T840 VanDerWaalsContact C-N 3.35Å; T840-I842 PolarHBondContact O-N 3.09Å; T840-L843 WeakPolarHBondContact O-CB 2.74Å; T840-L843 PolarHBondContact O-N 2.98Å; T840-L843 VanDerWaalsContact O-N 3.13Å; T840-L844 HydrophobicContact CG2-CD1 4.44Å; T840-L844 VanDerWaalsContact O-CG 3.25Å; T840-L844 WeakPolarHBondContact O-CG 3.13Å; T840-L844 PolarHBondContact O-N 3.24Å |
| 841 | D | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | 179.8 | -88.7 | 30.1 | 0 | 0 | 0 | 112.1 | R836 N837 V838 G845 I1092 I1118 | R836-D841 IonicContact NE-OD1 3.86Å; R836-D841 PolarHBondContact NE-OD1 3.11Å; R836-D841 IonicContact NE-OD2 3.84Å; N837-D841 PolarHBondContact O-N 3.26Å; V838-D841 PolarHBondContact O-N 2.78Å; D841-G845 PolarHBondContact O-N 2.77Å; D841-G845 VanDerWaalsContact O-N 3.15Å; D841-I1092 HydrophobicContact CB-CD1 4.2Å; D841-I1092 WeakPolarHBondContact OD2-CG2 3.49Å; D841-I1118 HydrophobicContact CB-CG2 4.28Å; D841-I1118 VanDerWaalsContact CG-CG2 3.4Å; D841-I1118 WeakPolarHBondContact OD1-CG2 3.13Å; D841-I1118 VanDerWaalsContact OD2-CG2 3.22Å; D841-I1118 WeakPolarHBondContact OD2-CG2 3.22Å |
| 842 | I | 92 | Very high | 90.8 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 171.6 | -74.4 | 174.2 | 0 | 0 | 0 | 110.6 | V813 V838 T840 L844 G845 L846 A1100 L1104 | V813-I842 HydrophobicContact CG1-CG2 4.36Å; V813-I842 HydrophobicContact CG2-CG2 4.3Å; V838-I842 HydrophobicContact CG1-CD1 4.1Å; V838-I842 WeakPolarHBondContact O-CG1 3.43Å; V838-I842 PolarHBondContact O-N 3.27Å; T840-I842 PolarHBondContact O-N 3.09Å; I842-L844 VanDerWaalsContact C-N 3.33Å; I842-L844 PolarHBondContact O-N 2.87Å; I842-G845 PolarHBondContact O-N 3.38Å; I842-L846 HydrophobicContact CG2-CD1 3.64Å; I842-L846 HydrophobicContact CG2-CG 4.13Å; I842-L846 WeakPolarHBondContact O-CG 3.2Å; I842-L846 PolarHBondContact O-N 2.97Å; I842-A1100 HydrophobicContact CD1-CB 3.63Å; I842-L1104 HydrophobicContact CD1-CG 4.48Å; I842-L1104 HydrophobicContact CG2-CD2 4.08Å |
| 843 | L | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | -179.7 | 173.8 | 63.9 | 0 | 0 | 0 | 111.1 | D809 L812 V813 I816 V830 N839 T840 G845 L846 L847 | D809-L843 HydrophobicContact CB-CD2 4.32Å; L812-L843 HydrophobicContact CB-CD1 4.32Å; L812-L843 HydrophobicContact CD2-CD1 3.71Å; L812-L843 HydrophobicContact CD2-CD2 3.86Å; L812-L843 HydrophobicContact CD2-CG 4.4Å; L812-L843 HydrophobicContact CG-CD1 3.78Å; L812-L843 HydrophobicContact CG-CD2 4.5Å; V813-L843 HydrophobicContact CG2-CB 4.01Å; V813-L843 HydrophobicContact CG2-CD1 4.48Å; I816-L843 HydrophobicContact CD1-CD1 3.73Å; V830-L843 HydrophobicContact CG2-CD2 4.02Å; N839-L843 WeakPolarHBondContact O-CB 3.47Å; N839-L843 PolarHBondContact O-N 3.26Å; T840-L843 WeakPolarHBondContact O-CB 2.74Å; T840-L843 PolarHBondContact O-N 2.98Å; T840-L843 VanDerWaalsContact O-N 3.13Å; L843-G845 VanDerWaalsContact C-N 3.34Å; L843-G845 PolarHBondContact O-N 3.08Å; L843-L846 PolarHBondContact O-N 3.07Å; L843-L847 HydrophobicContact CD1-CD1 3.82Å; L843-L847 HydrophobicContact CD1-CG 3.91Å; L843-L847 HydrophobicContact CD2-CD1 4.46Å; L843-L847 HydrophobicContact CG-CD1 3.76Å; L843-L847 HydrophobicContact CG-CG 4.28Å; L843-L847 WeakPolarHBondContact O-CB 3.34Å; L843-L847 VanDerWaalsContact O-CG 3.27Å; L843-L847 WeakPolarHBondContact O-CG 3.46Å; L843-L847 PolarHBondContact O-N 2.87Å |
| 844 | L | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 176.7 | -65.5 | 173.2 | 0 | 0 | 0 | 111.2 | V830 T840 I842 L847 R848 V861 F871 F874 F875 I1118 | V830-L844 HydrophobicContact CB-CD2 4.38Å; V830-L844 HydrophobicContact CG1-CD2 4.1Å; V830-L844 HydrophobicContact CG2-CD2 4.31Å; T840-L844 HydrophobicContact CG2-CD1 4.44Å; T840-L844 VanDerWaalsContact O-CG 3.25Å; T840-L844 WeakPolarHBondContact O-CG 3.13Å; T840-L844 PolarHBondContact O-N 3.24Å; I842-L844 VanDerWaalsContact C-N 3.33Å; I842-L844 PolarHBondContact O-N 2.87Å; L844-L847 PolarHBondContact O-N 3.27Å; L844-R848 PolarHBondContact O-N 2.9Å; L844-V861 HydrophobicContact CD2-CG2 4.46Å; L844-F871 HydrophobicContact CD1-CD1 4.34Å; L844-F871 HydrophobicContact CD1-CE1 3.77Å; L844-F874 HydrophobicContact CB-CE1 4.21Å; L844-F875 HydrophobicContact CB-CZ 3.91Å; L844-F875 HydrophobicContact CD2-CE2 3.78Å; L844-F875 HydrophobicContact CD2-CZ 3.56Å; L844-F875 HydrophobicContact CG-CZ 4.3Å; L844-I1118 HydrophobicContact CD1-CG2 4.49Å |
| 845 | G | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D841 I842 L843 K849 F1115 H1116 | D841-G845 PolarHBondContact O-N 2.77Å; D841-G845 VanDerWaalsContact O-N 3.15Å; I842-G845 PolarHBondContact O-N 3.38Å; L843-G845 VanDerWaalsContact C-N 3.34Å; L843-G845 PolarHBondContact O-N 3.08Å; G845-K849 PolarHBondContact O-N 3.41Å; G845-F1115 VanDerWaalsContact C-CZ 3.47Å; G845-H1116 VanDerWaalsContact CA-O 3.24Å; G845-H1116 WeakPolarHBondContact CA-O 3.21Å |
| 846 | L | 93.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.3 | -46.7 | 174.6 | -68.3 | 171 | 0 | 0 | 0 | 111.2 | V813 I816 I842 L843 R848 K849 I850 L1107 F1115 | V813-L846 HydrophobicContact CG1-CD1 4.34Å; I816-L846 HydrophobicContact CD1-CB 4.07Å; I816-L846 HydrophobicContact CD1-CD1 4.05Å; I816-L846 HydrophobicContact CG2-CD1 4.37Å; I842-L846 HydrophobicContact CG2-CD1 3.64Å; I842-L846 HydrophobicContact CG2-CG 4.13Å; I842-L846 WeakPolarHBondContact O-CG 3.2Å; I842-L846 PolarHBondContact O-N 2.97Å; L843-L846 PolarHBondContact O-N 3.07Å; L846-R848 VanDerWaalsContact C-N 3.28Å; L846-R848 PolarHBondContact O-N 3.48Å; L846-K849 WeakPolarHBondContact O-CA 3.45Å; L846-K849 WeakPolarHBondContact O-CB 3.2Å; L846-K849 PolarHBondContact O-N 3.33Å; L846-I850 WeakPolarHBondContact O-CG1 3.03Å; L846-I850 PolarHBondContact O-N 3.4Å; L846-L1107 HydrophobicContact CD1-CD1 3.54Å; L846-L1107 HydrophobicContact CD2-CD1 3.83Å; L846-L1107 HydrophobicContact CG-CD1 4.33Å; L846-F1115 HydrophobicContact CD2-CE2 3.93Å; L846-F1115 HydrophobicContact CD2-CZ 4.22Å; L846-F1115 HydrophobicContact CG-CE2 4.34Å; L846-F1115 HydrophobicContact CG-CZ 4.13Å |
| 847 | L | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -39.1 | 177.6 | -73.7 | 170.8 | 0 | 0 | 0 | 111.5 | L822 V828 V830 L843 L844 K849 I850 L851 L859 F875 | L822-L847 HydrophobicContact CD1-CD2 3.94Å; V828-L847 HydrophobicContact CG1-CD1 4.18Å; V828-L847 HydrophobicContact CG1-CD2 4.3Å; V830-L847 HydrophobicContact CG2-CD1 3.63Å; L843-L847 HydrophobicContact CD1-CD1 3.82Å; L843-L847 HydrophobicContact CD1-CG 3.91Å; L843-L847 HydrophobicContact CD2-CD1 4.46Å; L843-L847 HydrophobicContact CG-CD1 3.76Å; L843-L847 HydrophobicContact CG-CG 4.28Å; L843-L847 WeakPolarHBondContact O-CB 3.34Å; L843-L847 VanDerWaalsContact O-CG 3.27Å; L843-L847 WeakPolarHBondContact O-CG 3.46Å; L843-L847 PolarHBondContact O-N 2.87Å; L844-L847 PolarHBondContact O-N 3.27Å; L847-K849 VanDerWaalsContact C-N 3.29Å; L847-K849 PolarHBondContact O-N 3.18Å; L847-I850 HydrophobicContact CD2-CD1 4.46Å; L847-I850 PolarHBondContact O-N 3.37Å; L847-I850 VanDerWaalsContact O-N 3.14Å; L847-L851 WeakPolarHBondContact O-CB 3.42Å; L847-L851 VanDerWaalsContact O-CG 3.25Å; L847-L851 WeakPolarHBondContact O-CG 3.14Å; L847-L851 PolarHBondContact O-N 3.23Å; L847-L859 HydrophobicContact CD1-CD1 3.85Å; L847-F875 HydrophobicContact CB-CE1 4.35Å |
| 848 | R | 94 | Very high | 93 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 23% | 0.226 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | 173.1 | -177.1 | -179.9 | 175.9 | 165.1 | 2.8 | 112 | L844 L846 A852 F874 F875 L877 | L844-R848 PolarHBondContact O-N 2.9Å; L846-R848 VanDerWaalsContact C-N 3.28Å; L846-R848 PolarHBondContact O-N 3.48Å; R848-A852 PolarHBondContact O-N 2.98Å; R848-F874 HydrophobicContact CB-CE1 3.94Å; R848-F874 HydrophobicContact CB-CZ 4.36Å; R848-F874 VanDerWaalsContact CD-O 3.29Å; R848-F874 WeakPolarHBondContact CD-O 3.26Å; R848-F874 HydrophobicContact CG-CE1 4.44Å; R848-F874 PolarHBondContact NE-O 3.37Å; R848-F874 PolarHBondContact NH1-O 3.4Å; R848-F875 HydrophobicContact CB-CD1 4.25Å; R848-F875 HydrophobicContact CB-CE1 4.06Å; R848-L877 HydrophobicContact CG-CD2 4.15Å |
| 849 | K | 92.3 | Very high | 93.4 | Very high | 83 Ų | 83 | 36 Ų | 36 | 36% | 0.361 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.8 | -40.4 | 175.4 | -70.7 | -175.4 | 172.3 | -171.9 | 0 | 112 | G845 L846 L847 A852 K853 F1115 | G845-K849 PolarHBondContact O-N 3.41Å; L846-K849 WeakPolarHBondContact O-CA 3.45Å; L846-K849 WeakPolarHBondContact O-CB 3.2Å; L846-K849 PolarHBondContact O-N 3.33Å; L847-K849 VanDerWaalsContact C-N 3.29Å; L847-K849 PolarHBondContact O-N 3.18Å; K849-A852 WeakPolarHBondContact O-CB 3.46Å; K849-A852 PolarHBondContact O-N 2.82Å; K849-K853 PolarHBondContact O-N 3.4Å; K849-F1115 HydrophobicContact CD-CE2 4.48Å |
| 850 | I | 94.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.046 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -47.6 | 178.8 | -64 | 168.9 | 0 | 0 | 0 | 110.5 | I816 P820 L822 L846 L847 A852 K853 R854 L857 | I816-I850 HydrophobicContact CD1-CD1 4.06Å; I816-I850 HydrophobicContact CG1-CD1 4.2Å; I816-I850 HydrophobicContact CG2-CD1 4.18Å; P820-I850 WeakPolarHBondContact O-CD1 3.17Å; P820-I850 WeakPolarHBondContact O-CG1 3.4Å; L822-I850 HydrophobicContact CD1-CD1 4.06Å; L822-I850 HydrophobicContact CG-CD1 4.2Å; L846-I850 WeakPolarHBondContact O-CG1 3.03Å; L846-I850 PolarHBondContact O-N 3.4Å; L847-I850 HydrophobicContact CD2-CD1 4.46Å; L847-I850 PolarHBondContact O-N 3.37Å; L847-I850 VanDerWaalsContact O-N 3.14Å; I850-A852 PolarHBondContact O-N 2.86Å; I850-K853 CarbonylContact O-C 3.33Å; I850-K853 WeakPolarHBondContact O-CA 3.32Å; I850-K853 PolarHBondContact O-N 3.24Å; I850-R854 HydrophobicContact CG2-CB 4.3Å; I850-R854 WeakPolarHBondContact O-CB 3.38Å; I850-R854 PolarHBondContact O-N 2.86Å; I850-L857 HydrophobicContact CG2-CD2 3.67Å |
| 851 | L | 94.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -33.3 | 178.1 | -70.6 | 170.6 | 0 | 0 | 0 | 112.8 | Q727 L847 K853 L857 L859 F875 L877 | Q727-L851 HydrophobicContact CG-CD2 4.01Å; Q727-L851 PolarHBondContact NE2-O 2.95Å; L847-L851 WeakPolarHBondContact O-CB 3.42Å; L847-L851 VanDerWaalsContact O-CG 3.25Å; L847-L851 WeakPolarHBondContact O-CG 3.14Å; L847-L851 PolarHBondContact O-N 3.23Å; L851-K853 VanDerWaalsContact C-N 3.26Å; L851-K853 PolarHBondContact O-N 3.11Å; L851-L857 HydrophobicContact CD2-CB 4.38Å; L851-L857 HydrophobicContact CD2-CD2 4.27Å; L851-L857 HydrophobicContact CD2-CG 4.27Å; L851-L857 WeakPolarHBondContact CD2-O 3.5Å; L851-L859 HydrophobicContact CD1-CB 3.92Å; L851-L859 HydrophobicContact CD1-CD2 3.59Å; L851-L859 HydrophobicContact CD1-CG 4.39Å; L851-L859 HydrophobicContact CD2-CB 4.17Å; L851-F875 HydrophobicContact CD1-CD1 3.91Å; L851-F875 HydrophobicContact CD1-CE1 4.29Å; L851-L877 HydrophobicContact CB-CD1 4.41Å |
| 852 | A | 92.2 | Very high | 93.8 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 41% | 0.413 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.7 | -33.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | R848 K849 I850 K855 L877 | R848-A852 PolarHBondContact O-N 2.98Å; K849-A852 WeakPolarHBondContact O-CB 3.46Å; K849-A852 PolarHBondContact O-N 2.82Å; I850-A852 PolarHBondContact O-N 2.86Å; A852-K855 WeakPolarHBondContact O-CE 3.44Å; A852-K855 PolarHBondContact O-NZ 3.03Å; A852-L877 HydrophobicContact CB-CD1 4.13Å |
| 853 | K | 93.1 | Very high | 93.4 | Very high | 176 Ų | 176 | 33.1 Ų | 33.1 | 77% | 0.765 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -90.4 | -37.8 | 178.7 | -67.9 | -65.3 | -174.7 | 179.5 | 0 | 113.6 | L821 K849 I850 L851 | L821-K853 HydrophobicContact CD2-CB 4.4Å; K849-K853 PolarHBondContact O-N 3.4Å; I850-K853 CarbonylContact O-C 3.33Å; I850-K853 WeakPolarHBondContact O-CA 3.32Å; I850-K853 PolarHBondContact O-N 3.24Å; L851-K853 VanDerWaalsContact C-N 3.26Å; L851-K853 PolarHBondContact O-N 3.11Å |
| 854 | R | 93.6 | Very high | 92.4 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | trans | -112.8 | 92 | -170.7 | -168.2 | 174.5 | 170.8 | -151.5 | -10.8 | 110.2 | Q727 L821 L822 Y825 I850 D856 L857 | Q727-R854 PolarHBondContact NE2-O 3.17Å; L821-R854 WeakPolarHBondContact O-CD 3.45Å; L821-R854 PolarHBondContact O-NH1 2.87Å; L822-R854 VanDerWaalsContact C-NH1 3.29Å; L822-R854 PolarHBondContact O-NH1 2.86Å; Y825-R854 PolarHBondContact O-NH1 2.87Å; Y825-R854 PolarHBondContact O-NH2 3.12Å; I850-R854 HydrophobicContact CG2-CB 4.3Å; I850-R854 WeakPolarHBondContact O-CB 3.38Å; I850-R854 PolarHBondContact O-N 2.86Å; R854-D856 VanDerWaalsContact C-N 3.32Å; R854-D856 WeakPolarHBondContact CG-OD1 3.41Å; R854-D856 IonicContact CZ-OD2 3.67Å; R854-D856 VanDerWaalsContact CZ-OD2 3.23Å; R854-D856 IonicContact NE-OD1 3.18Å; R854-D856 IonicContact NE-OD2 2.86Å; R854-D856 PolarHBondContact NE-OD2 2.91Å; R854-D856 IonicContact NH2-OD2 2.9Å; R854-D856 PolarHBondContact NH2-OD2 3.18Å; R854-D856 PolarHBondContact O-N 2.91Å; R854-L857 HydrophobicContact CB-CB 4.32Å; R854-L857 HydrophobicContact CG-CB 3.93Å; R854-L857 PolarHBondContact O-N 3.15Å | ||
| 855 | K | 90.7 | Very high | 91.2 | Very high | 122 Ų | 122 | 35.5 Ų | 35.5 | 53% | 0.53 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -74.8 | -19.1 | -173.6 | -61.1 | -59.6 | -178.6 | -175.5 | 0 | 114.1 | A852 R858 | A852-K855 WeakPolarHBondContact O-CE 3.44Å; A852-K855 PolarHBondContact O-NZ 3.03Å; K855-R858 PolarHBondContact O-NH1 2.74Å |
| 856 | D | 92.4 | Very high | 89.5 | Confident | 95 Ų | 95 | 42.6 Ų | 42.6 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -75.6 | -33.9 | 173.9 | 57.1 | -60.6 | 0 | 0 | 0 | 112.5 | R854 R858 | R854-D856 VanDerWaalsContact C-N 3.32Å; R854-D856 WeakPolarHBondContact CG-OD1 3.41Å; R854-D856 IonicContact CZ-OD2 3.67Å; R854-D856 VanDerWaalsContact CZ-OD2 3.23Å; R854-D856 IonicContact NE-OD1 3.18Å; R854-D856 IonicContact NE-OD2 2.86Å; R854-D856 PolarHBondContact NE-OD2 2.91Å; R854-D856 IonicContact NH2-OD2 2.9Å; R854-D856 PolarHBondContact NH2-OD2 3.18Å; R854-D856 PolarHBondContact O-N 2.91Å; D856-R858 PolarHBondContact O-N 3.32Å; D856-R858 PolarHBondContact O-NH1 3.2Å |
| 857 | L | 95 | Very high | 88.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -64.3 | 130 | -179.7 | -176.9 | 68.7 | 0 | 0 | 0 | 111.2 | Q727 V828 I850 L851 R854 | Q727-L857 VanDerWaalsContact CG-O 3.3Å; Q727-L857 WeakPolarHBondContact CG-O 3.32Å; Q727-L857 PolarHBondContact NE2-O 2.84Å; V828-L857 HydrophobicContact CG2-CD1 4.24Å; I850-L857 HydrophobicContact CG2-CD2 3.67Å; L851-L857 HydrophobicContact CD2-CB 4.38Å; L851-L857 HydrophobicContact CD2-CD2 4.27Å; L851-L857 HydrophobicContact CD2-CG 4.27Å; L851-L857 WeakPolarHBondContact CD2-O 3.5Å; R854-L857 HydrophobicContact CB-CB 4.32Å; R854-L857 HydrophobicContact CG-CB 3.93Å; R854-L857 PolarHBondContact O-N 3.15Å | ||
| 858 | R | 96 | Very high | 87.4 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 18% | 0.177 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 144.6 | 172.8 | -62 | -60.7 | -174.7 | -105.2 | 8.2 | 111.9 | L723 Q727 W752 S826 V827 V828 K855 D856 | L723-R858 HydrophobicContact CD2-CB 4.42Å; L723-R858 VanDerWaalsContact O-CD 3.31Å; L723-R858 WeakPolarHBondContact O-CD 3.31Å; L723-R858 PolarHBondContact O-NE 3.12Å; Q727-R858 WeakPolarHBondContact O-CA 3.29Å; W752-R858 HydrophobicContact CE3-CG 4.24Å; W752-R858 HydrophobicContact CH2-CG 3.73Å; W752-R858 HydrophobicContact CZ3-CB 4.37Å; W752-R858 HydrophobicContact CZ3-CG 3.36Å; S826-R858 PolarHBondContact O-N 3.13Å; S826-R858 VanDerWaalsContact O-N 3.1Å; V827-R858 WeakPolarHBondContact CA-O 3.42Å; V827-R858 HydrophobicContact CG1-CB 4.24Å; V827-R858 HydrophobicContact CG2-CB 4.24Å; V828-R858 PolarHBondContact N-O 2.91Å; K855-R858 PolarHBondContact O-NH1 2.74Å; D856-R858 PolarHBondContact O-N 3.32Å; D856-R858 PolarHBondContact O-NH1 3.2Å |
| 859 | L | 97.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.3 | 178.6 | 178 | 63.9 | 0 | 0 | 0 | 111.2 | Q727 T728 L729 V828 V830 L847 L851 V861 F875 | Q727-L859 PolarHBondContact O-N 3.31Å; T728-L859 CarbonylContact C-O 3.48Å; T728-L859 VanDerWaalsContact CA-O 3.28Å; T728-L859 WeakPolarHBondContact CA-O 3.36Å; T728-L859 HydrophobicContact CG2-CB 4.14Å; T728-L859 HydrophobicContact CG2-CD2 3.94Å; T728-L859 HydrophobicContact CG2-CG 4.06Å; L729-L859 PolarHBondContact N-O 3.25Å; V828-L859 HydrophobicContact CB-CD1 4.37Å; V828-L859 HydrophobicContact CG1-CD1 4.33Å; V828-L859 CarbonylContact O-C 3.58Å; V828-L859 WeakPolarHBondContact O-CA 3.46Å; V828-L859 WeakPolarHBondContact O-CD1 3.03Å; V830-L859 HydrophobicContact CG2-CD1 4.1Å; L847-L859 HydrophobicContact CD1-CD1 3.85Å; L851-L859 HydrophobicContact CD1-CB 3.92Å; L851-L859 HydrophobicContact CD1-CD2 3.59Å; L851-L859 HydrophobicContact CD1-CG 4.39Å; L851-L859 HydrophobicContact CD2-CB 4.17Å; L859-V861 HydrophobicContact CD1-CG2 4.36Å; L859-V861 HydrophobicContact CD2-CG2 3.89Å; L859-V861 HydrophobicContact CG-CG2 3.95Å; L859-F875 HydrophobicContact CD2-CD1 3.61Å; L859-F875 HydrophobicContact CD2-CD2 4.25Å; L859-F875 HydrophobicContact CD2-CE1 3.36Å; L859-F875 HydrophobicContact CD2-CE2 4.05Å; L859-F875 HydrophobicContact CD2-CG 4.06Å; L859-F875 HydrophobicContact CD2-CZ 3.6Å |
| 860 | I | 96.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.4 | 166.9 | -59.3 | 170.1 | 0 | 0 | 0 | 108 | L723 L729 L731 V743 L747 V827 V828 M829 V830 | L723-I860 HydrophobicContact CD1-CD1 3.58Å; L723-I860 HydrophobicContact CD1-CG1 3.95Å; L723-I860 HydrophobicContact CD2-CD1 4.32Å; L723-I860 HydrophobicContact CD2-CG1 3.75Å; L723-I860 HydrophobicContact CG-CG1 4.44Å; L729-I860 CarbonylContact O-C 3.59Å; L729-I860 VanDerWaalsContact O-CA 3.31Å; L729-I860 WeakPolarHBondContact O-CA 3.46Å; L731-I860 HydrophobicContact CB-CG2 4.29Å; V743-I860 HydrophobicContact CG1-CD1 3.62Å; L747-I860 HydrophobicContact CD1-CD1 3.89Å; V827-I860 HydrophobicContact CG1-CD1 4.24Å; V827-I860 HydrophobicContact CG1-CG1 4.48Å; V828-I860 PolarHBondContact O-N 2.99Å; M829-I860 CarbonylContact C-O 3.25Å; M829-I860 VanDerWaalsContact CA-O 3.31Å; M829-I860 WeakPolarHBondContact CA-O 3.45Å; M829-I860 HydrophobicContact CB-CB 4.08Å; M829-I860 HydrophobicContact CG-CB 3.99Å; M829-I860 HydrophobicContact CG-CG2 4Å; M829-I860 HydrophobicContact SD-CG2 4.36Å; V830-I860 PolarHBondContact N-O 3.2Å |
| 861 | V | 94.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 108.6 | 172.3 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | T728 L729 V730 L731 A833 L844 L859 F871 F875 | T728-V861 HydrophobicContact CG2-CG2 4.45Å; L729-V861 PolarHBondContact O-N 3.06Å; V730-V861 CarbonylContact C-O 3.18Å; V730-V861 WeakPolarHBondContact CA-O 3.46Å; L731-V861 PolarHBondContact N-O 3.27Å; A833-V861 HydrophobicContact CB-CG1 3.66Å; L844-V861 HydrophobicContact CD2-CG2 4.46Å; L859-V861 HydrophobicContact CD1-CG2 4.36Å; L859-V861 HydrophobicContact CD2-CG2 3.89Å; L859-V861 HydrophobicContact CG-CG2 3.95Å; V861-F871 HydrophobicContact CG1-CB 4.39Å; V861-F871 HydrophobicContact CG1-CD1 3.99Å; V861-F871 HydrophobicContact CG1-CD2 4.38Å; V861-F871 HydrophobicContact CG1-CE1 4.36Å; V861-F871 HydrophobicContact CG1-CG 4.01Å; V861-F875 HydrophobicContact CG2-CD2 4.04Å; V861-F875 HydrophobicContact CG2-CE2 3.68Å; V861-F875 HydrophobicContact CG2-CZ 4.36Å |
| 862 | S | 90.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.9 | -177.2 | 164.7 | 0 | 0 | 0 | 0 | 110.8 | L731 K739 V830 D831 E832 A833 | L731-S862 WeakPolarHBondContact O-CA 3.47Å; K739-S862 WeakPolarHBondContact CD-OG 3.27Å; K739-S862 WeakPolarHBondContact CE-OG 3.49Å; V830-S862 PolarHBondContact O-N 3.32Å; D831-S862 WeakPolarHBondContact OD1-CB 3.44Å; D831-S862 PolarHBondContact OD1-OG 2.86Å; E832-S862 PolarHBondContact N-O 3.23Å; A833-S862 PolarHBondContact N-O 2.87Å |
| 863 | S | 83.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 148.2 | -179.9 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | L731 L732 G733 T865 | L731-S863 PolarHBondContact O-N 2.88Å; L732-S863 WeakPolarHBondContact CA-O 3.27Å; G733-S863 PolarHBondContact N-O 3.05Å; S863-T865 PolarHBondContact OG-N 2.99Å; S863-T865 VanDerWaalsContact OG-N 3.13Å; S863-T865 PolarHBondContact OG-O 3.19Å; S863-T865 PolarHBondContact OG-OG1 2.69Å |
| 864 | A | 72.9 | Confident | 86.3 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 26% | 0.256 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -96.6 | -5.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T735 H834 | T735-A864 HydrophobicContact CG2-CB 4.21Å; H834-A864 PolarHBondContact ND1-N 2.86Å |
| 865 | T | 68.6 | Low | 86.3 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -117.6 | 160.8 | -175.3 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | L732 H834 S863 D867 A1038 | L732-T865 WeakPolarHBondContact CD2-O 3.48Å; H834-T865 HydrophobicContact CB-CG2 4.11Å; H834-T865 VanDerWaalsContact CB-OG1 3.31Å; H834-T865 WeakPolarHBondContact CB-OG1 3.38Å; S863-T865 PolarHBondContact OG-N 2.99Å; S863-T865 VanDerWaalsContact OG-N 3.13Å; S863-T865 PolarHBondContact OG-O 3.19Å; S863-T865 PolarHBondContact OG-OG1 2.69Å; T865-D867 PolarHBondContact O-N 2.78Å; T865-A1038 HydrophobicContact CG2-CB 4.45Å |
| 866 | L | 58.6 | Low | 86.4 | Confident | 149 Ų | 149 | 36.8 Ų | 36.8 | 78% | 0.78 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -69.2 | 8.1 | -172.6 | -70.4 | 165.8 | 0 | 0 | 0 | 115.8 | A868 | L866-A868 PolarHBondContact O-N 2.58Š|
| 867 | D | 66.7 | Low | 86.3 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 13.8 | 177.8 | -85.2 | -19.6 | 0 | 0 | 0 | 114.8 | T865 V869 E870 F871 | T865-D867 PolarHBondContact O-N 2.78Å; D867-V869 PolarHBondContact O-N 3.43Å; D867-V869 VanDerWaalsContact O-N 3.1Å; D867-E870 PolarHBondContact O-N 3.35Å; D867-E870 VanDerWaalsContact O-N 3.07Å; D867-F871 HydrophobicContact CB-CD2 4.45Å; D867-F871 HydrophobicContact CB-CE2 4.14Å; D867-F871 VanDerWaalsContact O-CD2 3.28Å; D867-F871 WeakPolarHBondContact O-CD2 2.87Å; D867-F871 PolarHBondContact O-N 3.48Å |
| 868 | A | 77.2 | Confident | 86 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -28.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V730 L732 L866 F871 R872 I890 | V730-A868 HydrophobicContact CG1-CB 3.63Å; L732-A868 HydrophobicContact CD1-CB 3.42Å; L732-A868 VanDerWaalsContact CD1-CB 3.42Å; L732-A868 HydrophobicContact CD2-CB 3.66Å; L732-A868 HydrophobicContact CG-CB 3.5Å; L866-A868 PolarHBondContact O-N 2.58Å; A868-F871 PolarHBondContact O-N 2.88Å; A868-R872 WeakPolarHBondContact O-CB 3.09Å; A868-R872 PolarHBondContact O-N 2.8Å; A868-I890 HydrophobicContact CB-CD1 3.86Å; A868-I890 HydrophobicContact CB-CG1 4.01Å; A868-I890 HydrophobicContact CB-CG2 3.76Å; A868-I890 WeakPolarHBondContact O-CD1 3.4Å |
| 869 | V | 85.1 | Confident | 85.3 | Confident | 79 Ų | 79 | 38.8 Ų | 38.8 | 48% | 0.479 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.9 | -42 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | D867 R872 H873 I890 | D867-V869 PolarHBondContact O-N 3.43Å; D867-V869 VanDerWaalsContact O-N 3.1Å; V869-R872 PolarHBondContact O-N 3.08Å; V869-H873 WeakPolarHBondContact CG1-CE1 3.4Å; V869-H873 WeakPolarHBondContact O-CB 3.26Å; V869-H873 VanDerWaalsContact O-CG 3.25Å; V869-H873 PolarHBondContact O-N 3.26Å; V869-H873 PolarHBondContact O-ND1 3.3Å; V869-I890 HydrophobicContact CG2-CD1 4.27Å |
| 870 | E | 86.5 | Confident | 84.8 | Confident | 64 Ų | 64 | 42.2 Ų | 42.2 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.6 | -165.7 | -173.6 | -170.1 | 0 | 0 | 110.3 | R836 D867 H873 F874 I1118 | R836-E870 IonicContact CZ-OE2 3.29Å; R836-E870 IonicContact NH1-OE2 3.97Å; R836-E870 PolarHBondContact NH1-OE2 3.22Å; R836-E870 IonicContact NH2-OE1 2.91Å; R836-E870 IonicContact NH2-OE2 2.86Å; D867-E870 PolarHBondContact O-N 3.35Å; D867-E870 VanDerWaalsContact O-N 3.07Å; E870-H873 PolarHBondContact O-N 3.27Å; E870-F874 VanDerWaalsContact O-CB 3.3Å; E870-F874 WeakPolarHBondContact O-CB 3.48Å; E870-F874 PolarHBondContact O-N 3.09Å; E870-I1118 HydrophobicContact CG-CD1 4.15Å; E870-I1118 HydrophobicContact CG-CG1 4.06Å |
| 871 | F | 90.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 176.7 | -67.4 | -61.2 | 0 | 0 | 0 | 112.8 | V730 A833 L844 V861 D867 A868 F874 F875 I1118 | V730-F871 HydrophobicContact CG1-CB 4.11Å; V730-F871 HydrophobicContact CG2-CB 3.95Å; A833-F871 HydrophobicContact CB-CE1 4.17Å; A833-F871 HydrophobicContact CB-CE2 4.36Å; A833-F871 HydrophobicContact CB-CZ 3.83Å; L844-F871 HydrophobicContact CD1-CD1 4.34Å; L844-F871 HydrophobicContact CD1-CE1 3.77Å; V861-F871 HydrophobicContact CG1-CB 4.39Å; V861-F871 HydrophobicContact CG1-CD1 3.99Å; V861-F871 HydrophobicContact CG1-CD2 4.38Å; V861-F871 HydrophobicContact CG1-CE1 4.36Å; V861-F871 HydrophobicContact CG1-CG 4.01Å; D867-F871 HydrophobicContact CB-CD2 4.45Å; D867-F871 HydrophobicContact CB-CE2 4.14Å; D867-F871 VanDerWaalsContact O-CD2 3.28Å; D867-F871 WeakPolarHBondContact O-CD2 2.87Å; D867-F871 PolarHBondContact O-N 3.48Å; A868-F871 PolarHBondContact O-N 2.88Å; F871-F874 PolarHBondContact O-N 2.82Å; F871-F875 WeakPolarHBondContact O-CD2 3.27Å; F871-F875 PolarHBondContact O-N 3.11Å; F871-I1118 HydrophobicContact CD1-CD1 3.48Å; F871-I1118 VanDerWaalsContact CD1-CD1 3.48Å; F871-I1118 HydrophobicContact CE1-CD1 3.36Å; F871-I1118 HydrophobicContact CG-CD1 4.44Å; F871-I1118 HydrophobicContact CZ-CD1 4.26Å |
| 872 | R | 91.4 | Very high | 83.7 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 177 | -178.8 | -170.7 | 171.7 | -155.5 | -4.4 | 110.5 | V730 A868 V869 F874 F875 N876 D886 A888 I890 | V730-R872 HydrophobicContact CG2-CB 4.37Å; A868-R872 WeakPolarHBondContact O-CB 3.09Å; A868-R872 PolarHBondContact O-N 2.8Å; V869-R872 PolarHBondContact O-N 3.08Å; R872-F874 VanDerWaalsContact C-N 3.27Å; R872-F874 PolarHBondContact O-N 2.92Å; R872-F875 PolarHBondContact O-N 3.32Å; R872-N876 WeakPolarHBondContact O-CB 3.42Å; R872-N876 PolarHBondContact O-N 3.28Å; R872-D886 IonicContact CZ-OD2 2.88Å; R872-D886 IonicContact NH2-OD2 3.05Å; R872-D886 PolarHBondContact NH2-OD2 2.78Å; R872-A888 HydrophobicContact CG-CB 4.21Å; R872-A888 PolarHBondContact NE-O 2.88Å; R872-I890 HydrophobicContact CB-CD1 3.81Å; R872-I890 HydrophobicContact CB-CG1 3.81Å; R872-I890 HydrophobicContact CG-CD1 4.34Å; R872-I890 HydrophobicContact CG-CG1 4.23Å |
| 873 | H | 90.7 | Very high | 83.5 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.1 | -36.5 | 178.2 | -67.9 | 164.5 | 0 | 0 | 0 | 112.1 | V869 E870 | V869-H873 WeakPolarHBondContact CG1-CE1 3.4Å; V869-H873 WeakPolarHBondContact O-CB 3.26Å; V869-H873 VanDerWaalsContact O-CG 3.25Å; V869-H873 PolarHBondContact O-N 3.26Å; V869-H873 PolarHBondContact O-ND1 3.3Å; E870-H873 PolarHBondContact O-N 3.27Å |
| 874 | F | 92.2 | Very high | 83.6 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 179.1 | -175.6 | -96.6 | 0 | 0 | 0 | 113.2 | L844 R848 E870 F871 R872 H1116 I1118 | L844-F874 HydrophobicContact CB-CE1 4.21Å; R848-F874 HydrophobicContact CB-CE1 3.94Å; R848-F874 HydrophobicContact CB-CZ 4.36Å; R848-F874 VanDerWaalsContact CD-O 3.29Å; R848-F874 WeakPolarHBondContact CD-O 3.26Å; R848-F874 HydrophobicContact CG-CE1 4.44Å; R848-F874 PolarHBondContact NE-O 3.37Å; R848-F874 PolarHBondContact NH1-O 3.4Å; E870-F874 VanDerWaalsContact O-CB 3.3Å; E870-F874 WeakPolarHBondContact O-CB 3.48Å; E870-F874 PolarHBondContact O-N 3.09Å; F871-F874 PolarHBondContact O-N 2.82Å; R872-F874 VanDerWaalsContact C-N 3.27Å; R872-F874 PolarHBondContact O-N 2.92Å; F874-H1116 HydrophobicContact CE2-CB 4.15Å; F874-H1116 HydrophobicContact CZ-CB 4.07Å; F874-H1116 WeakPolarHBondContact CZ-O 3.48Å; F874-I1118 HydrophobicContact CD2-CB 4.11Å; F874-I1118 HydrophobicContact CD2-CG1 4.38Å; F874-I1118 HydrophobicContact CE2-CB 4.18Å; F874-I1118 HydrophobicContact CG-CB 4.49Å |
| 875 | F | 94.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -96.7 | -9.5 | -178.6 | -72.9 | -69.7 | 0 | 0 | 0 | 115.1 | T728 L844 L847 R848 L851 L859 V861 F871 R872 L877 T887 A888 | T728-F875 HydrophobicContact CG2-CB 3.8Å; T728-F875 HydrophobicContact CG2-CD2 4.3Å; T728-F875 HydrophobicContact CG2-CG 4.04Å; L844-F875 HydrophobicContact CB-CZ 3.91Å; L844-F875 HydrophobicContact CD2-CE2 3.78Å; L844-F875 HydrophobicContact CD2-CZ 3.56Å; L844-F875 HydrophobicContact CG-CZ 4.3Å; L847-F875 HydrophobicContact CB-CE1 4.35Å; R848-F875 HydrophobicContact CB-CD1 4.25Å; R848-F875 HydrophobicContact CB-CE1 4.06Å; L851-F875 HydrophobicContact CD1-CD1 3.91Å; L851-F875 HydrophobicContact CD1-CE1 4.29Å; L859-F875 HydrophobicContact CD2-CD1 3.61Å; L859-F875 HydrophobicContact CD2-CD2 4.25Å; L859-F875 HydrophobicContact CD2-CE1 3.36Å; L859-F875 HydrophobicContact CD2-CE2 4.05Å; L859-F875 HydrophobicContact CD2-CG 4.06Å; L859-F875 HydrophobicContact CD2-CZ 3.6Å; V861-F875 HydrophobicContact CG2-CD2 4.04Å; V861-F875 HydrophobicContact CG2-CE2 3.68Å; V861-F875 HydrophobicContact CG2-CZ 4.36Å; F871-F875 WeakPolarHBondContact O-CD2 3.27Å; F871-F875 PolarHBondContact O-N 3.11Å; R872-F875 PolarHBondContact O-N 3.32Å; F875-L877 PolarHBondContact O-N 2.87Å; F875-L877 VanDerWaalsContact O-N 3.14Å; F875-T887 PolarHBondContact O-OG1 3.29Å; F875-A888 HydrophobicContact CB-CB 4.29Å |
| 876 | N | 92.4 | Very high | 85.5 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.16 | 38% | 0.377 | C | S | . | . | trans | -69.4 | 112.6 | 172.3 | -162.1 | 15 | 0 | 0 | 0 | 109.1 | R872 N878 D886 T887 A888 | R872-N876 WeakPolarHBondContact O-CB 3.42Å; R872-N876 PolarHBondContact O-N 3.28Å; N876-N878 VanDerWaalsContact C-N 3.27Å; N876-N878 WeakPolarHBondContact OD1-CB 3.5Å; N876-N878 PolarHBondContact OD1-N 2.69Å; N876-D886 PolarHBondContact ND2-OD1 3Å; N876-D886 WeakPolarHBondContact OD1-CA 3.35Å; N876-T887 PolarHBondContact OD1-N 3.16Å; N876-A888 HydrophobicContact CB-CB 4.19Å | ||
| 877 | L | 90.2 | Very high | 87.1 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | trans | -89.9 | 2.3 | 179.4 | -59.2 | -178.3 | 0 | 0 | 0 | 112 | R848 L851 A852 F875 A879 T887 | R848-L877 HydrophobicContact CG-CD2 4.15Å; L851-L877 HydrophobicContact CB-CD1 4.41Å; A852-L877 HydrophobicContact CB-CD1 4.13Å; F875-L877 PolarHBondContact O-N 2.87Å; F875-L877 VanDerWaalsContact O-N 3.14Å; L877-A879 PolarHBondContact O-N 3.1Å; L877-T887 HydrophobicContact CB-CG2 4.25Å; L877-T887 PolarHBondContact N-OG1 3.13Å | ||
| 878 | N | 89.2 | Confident | 88.4 | Confident | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | trans | -64.7 | 119.9 | 174.1 | -169.2 | 6.2 | 0 | 0 | 0 | 110.2 | N876 T880 D882 D886 | N876-N878 VanDerWaalsContact C-N 3.27Å; N876-N878 WeakPolarHBondContact OD1-CB 3.5Å; N876-N878 PolarHBondContact OD1-N 2.69Å; N878-T880 PolarHBondContact ND2-O 2.93Å; N878-T880 PolarHBondContact OD1-N 2.97Å; N878-T880 PolarHBondContact OD1-O 2.85Å; N878-T880 PolarHBondContact OD1-OG1 3.09Å; N878-D882 PolarHBondContact ND2-O 3.11Å; N878-D886 PolarHBondContact ND2-OD1 2.93Å | ||
| 879 | A | 82.5 | Confident | 89.2 | Confident | 105 Ų | 105 | 60 Ų | 60 | 87% | 0.868 | 35% | 0.346 | S | S | * | . | trans | -99.4 | 1.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L877 | L877-A879 PolarHBondContact O-N 3.1Š| ||
| 880 | T | 86.1 | Confident | 89.6 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -111.8 | 167 | 178.1 | 75.7 | 0 | 0 | 0 | 0 | 110.5 | N878 D882 L885 | N878-T880 PolarHBondContact ND2-O 2.93Å; N878-T880 PolarHBondContact OD1-N 2.97Å; N878-T880 PolarHBondContact OD1-O 2.85Å; N878-T880 PolarHBondContact OD1-OG1 3.09Å; T880-D882 PolarHBondContact O-N 2.65Å; T880-D882 PolarHBondContact OG1-N 3.12Å; T880-L885 HydrophobicContact CG2-CD1 4.4Å |
| 881 | D | 82.6 | Confident | 89.9 | Confident | 172 Ų | 172 | 56.4 Ų | 56.4 | 92% | 0.92 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -83.1 | 6.9 | 174.6 | -64.4 | -41.3 | 0 | 0 | 0 | 113.2 | P883 | D881-P883 VanDerWaalsContact O-CD 3.26Å; D881-P883 WeakPolarHBondContact O-CD 3.42Å |
| 882 | D | 86.8 | Confident | 89.7 | Confident | 81 Ų | 81 | 60 Ų | 60 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | trans | -86 | 109.5 | 179.7 | -178.7 | 1.5 | 0 | 0 | 0 | 110.9 | N878 T880 A884 L885 | N878-D882 PolarHBondContact ND2-O 3.11Å; T880-D882 PolarHBondContact O-N 2.65Å; T880-D882 PolarHBondContact OG1-N 3.12Å; D882-A884 PolarHBondContact O-N 3.02Å; D882-A884 VanDerWaalsContact O-N 3.1Å; D882-A884 VanDerWaalsContact OD1-CB 3.29Å; D882-A884 WeakPolarHBondContact OD1-CB 3.47Å; D882-A884 PolarHBondContact OD1-N 3.24Å; D882-L885 HydrophobicContact CB-CD1 4.41Å; D882-L885 HydrophobicContact CB-CG 4.46Å; D882-L885 PolarHBondContact O-N 3.21Å; D882-L885 VanDerWaalsContact O-N 3.1Å | ||
| 883 | P | 85.3 | Confident | 89.3 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -64.1 | -16.9 | -178.6 | -19.5 | 33.7 | 0 | 0 | 0 | 113.9 | D881 L885 D886 | D881-P883 VanDerWaalsContact O-CD 3.26Å; D881-P883 WeakPolarHBondContact O-CD 3.42Å; P883-L885 PolarHBondContact O-N 2.93Å; P883-D886 WeakPolarHBondContact O-CB 3.47Å; P883-D886 PolarHBondContact O-N 2.87Å |
| 884 | A | 86 | Confident | 88.4 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 72% | 0.719 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -67.3 | -20 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D882 | D882-A884 PolarHBondContact O-N 3.02Å; D882-A884 VanDerWaalsContact O-N 3.1Å; D882-A884 VanDerWaalsContact OD1-CB 3.29Å; D882-A884 WeakPolarHBondContact OD1-CB 3.47Å; D882-A884 PolarHBondContact OD1-N 3.24Å |
| 885 | L | 88.5 | Confident | 86.9 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -95.3 | 4.9 | 177.8 | -60 | -179.9 | 0 | 0 | 0 | 113.1 | T880 D882 P883 T887 | T880-L885 HydrophobicContact CG2-CD1 4.4Å; D882-L885 HydrophobicContact CB-CD1 4.41Å; D882-L885 HydrophobicContact CB-CG 4.46Å; D882-L885 PolarHBondContact O-N 3.21Å; D882-L885 VanDerWaalsContact O-N 3.1Å; P883-L885 PolarHBondContact O-N 2.93Å; L885-T887 PolarHBondContact O-N 2.9Å |
| 886 | D | 92 | Very high | 85.2 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 14% | 0.139 | 38% | 0.381 | C | S | . | . | trans | -60.4 | 129.5 | 176.8 | -84.6 | 0.2 | 0 | 0 | 0 | 111.2 | Y726 R872 N876 N878 P883 | Y726-D886 VanDerWaalsContact CD1-O 3.25Å; Y726-D886 WeakPolarHBondContact CD1-O 3.43Å; Y726-D886 HydrophobicContact CE1-CB 4.24Å; Y726-D886 WeakPolarHBondContact CE1-O 3.43Å; R872-D886 IonicContact CZ-OD2 2.88Å; R872-D886 IonicContact NH2-OD2 3.05Å; R872-D886 PolarHBondContact NH2-OD2 2.78Å; N876-D886 PolarHBondContact ND2-OD1 3Å; N876-D886 WeakPolarHBondContact OD1-CA 3.35Å; N878-D886 PolarHBondContact ND2-OD1 2.93Å; P883-D886 WeakPolarHBondContact O-CB 3.47Å; P883-D886 PolarHBondContact O-N 2.87Å | ||
| 887 | T | 93.1 | Very high | 83.9 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | trans | -98.8 | -5.3 | 178.3 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | Q727 T728 F875 N876 L877 L885 | Q727-T887 PolarHBondContact N-O 3.24Å; Q727-T887 VanDerWaalsContact N-O 3.11Å; T728-T887 PolarHBondContact N-O 3.31Å; F875-T887 PolarHBondContact O-OG1 3.29Å; N876-T887 PolarHBondContact OD1-N 3.16Å; L877-T887 HydrophobicContact CB-CG2 4.25Å; L877-T887 PolarHBondContact N-OG1 3.13Å; L885-T887 PolarHBondContact O-N 2.9Å | ||
| 888 | A | 94.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T728 R872 F875 N876 | T728-A888 HydrophobicContact CG2-CB 4.45Å; T728-A888 VanDerWaalsContact O-CA 3.3Å; T728-A888 WeakPolarHBondContact O-CA 3.48Å; R872-A888 HydrophobicContact CG-CB 4.21Å; R872-A888 PolarHBondContact NE-O 2.88Å; F875-A888 HydrophobicContact CB-CB 4.29Å; N876-A888 HydrophobicContact CB-CB 4.19Å |
| 889 | T | 94.9 | Very high | 83 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 14% | 0.135 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 163.9 | 178.2 | -166 | 0 | 0 | 0 | 0 | 112.1 | L722 Y726 T728 L729 V730 | L722-T889 HydrophobicContact CB-CG2 4.24Å; L722-T889 HydrophobicContact CD1-CG2 3.89Å; L722-T889 HydrophobicContact CD2-CG2 4.26Å; L722-T889 HydrophobicContact CG-CG2 4.37Å; Y726-T889 HydrophobicContact CD2-CG2 3.38Å; Y726-T889 HydrophobicContact CE2-CG2 3.81Å; Y726-T889 HydrophobicContact CG-CG2 3.8Å; T728-T889 PolarHBondContact O-N 3.1Å; T728-T889 VanDerWaalsContact O-N 3.1Å; L729-T889 HydrophobicContact CD1-CG2 3.75Å; V730-T889 PolarHBondContact N-O 3.32Å |
| 890 | I | 92.8 | Very high | 83.2 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 26% | 0.256 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.7 | 177.2 | -60.3 | 163.2 | 0 | 0 | 0 | 109 | V730 L732 A868 V869 R872 | V730-I890 HydrophobicContact CB-CG1 4.06Å; V730-I890 HydrophobicContact CG1-CG1 4.48Å; V730-I890 WeakPolarHBondContact O-CA 3.19Å; L732-I890 HydrophobicContact CD1-CG2 3.93Å; L732-I890 HydrophobicContact CG-CG2 4.27Å; A868-I890 HydrophobicContact CB-CD1 3.86Å; A868-I890 HydrophobicContact CB-CG1 4.01Å; A868-I890 HydrophobicContact CB-CG2 3.76Å; A868-I890 WeakPolarHBondContact O-CD1 3.4Å; V869-I890 HydrophobicContact CG2-CD1 4.27Å; R872-I890 HydrophobicContact CB-CD1 3.81Å; R872-I890 HydrophobicContact CB-CG1 3.81Å; R872-I890 HydrophobicContact CG-CD1 4.34Å; R872-I890 HydrophobicContact CG-CG1 4.23Å |
| 891 | M | 91.7 | Very high | 83.5 | Confident | 19 Ų | 19 | 67 Ų | 67 | 9% | 0.094 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.1 | 165.8 | 177.6 | -173.4 | -83 | 0 | 0 | 109.4 | A718 I719 L722 L729 V730 L731 L732 | A718-M891 VanDerWaalsContact C-CE 3.42Å; A718-M891 HydrophobicContact CB-CE 3.46Å; A718-M891 VanDerWaalsContact CB-CE 3.46Å; I719-M891 HydrophobicContact CD1-SD 4.44Å; I719-M891 HydrophobicContact CG1-CE 4.06Å; I719-M891 HydrophobicContact CG1-SD 3.54Å; I719-M891 VanDerWaalsContact CG1-SD 3.54Å; L722-M891 HydrophobicContact CD1-CB 3.98Å; L722-M891 HydrophobicContact CD1-CE 3.55Å; L722-M891 HydrophobicContact CG-CE 4.18Å; L729-M891 HydrophobicContact CD1-CB 3.89Å; V730-M891 PolarHBondContact O-N 2.9Å; L731-M891 HydrophobicContact CD1-CB 4.17Å; L731-M891 HydrophobicContact CD1-CG 4.15Å; L731-M891 HydrophobicContact CD1-SD 3.9Å; L732-M891 PolarHBondContact N-O 3.28Å |
| 892 | S | 88.3 | Confident | 83.9 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.5 | 171.4 | -170 | 0 | 0 | 0 | 0 | 111 | L732 | L732-S892 CarbonylContact O-C 3.59Å; L732-S892 WeakPolarHBondContact O-CA 3.45Å |
| 893 | V | 83 | Confident | 84.1 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.6 | 174 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | P711 I712 Y715 L731 L732 C737 G895 | P711-V893 HydrophobicContact CB-CG1 4.37Å; I712-V893 HydrophobicContact CG1-CG2 4.46Å; Y715-V893 HydrophobicContact CD2-CB 4.43Å; Y715-V893 HydrophobicContact CD2-CG1 3.84Å; Y715-V893 HydrophobicContact CD2-CG2 4.17Å; Y715-V893 HydrophobicContact CE2-CB 4.46Å; Y715-V893 HydrophobicContact CE2-CG1 3.86Å; Y715-V893 HydrophobicContact CG-CG2 4.4Å; L731-V893 HydrophobicContact CD1-CG2 3.86Å; L732-V893 PolarHBondContact O-N 2.95Å; C737-V893 HydrophobicContact CB-CG1 4.36Å; V893-G895 PolarHBondContact O-N 2.98Å |
| 894 | E | 70 | Confident | 84.3 | Confident | 148 Ų | 148 | 60.8 Ų | 60.8 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | trans | -60.8 | 121.4 | 174.2 | -67.5 | -177.6 | 168.4 | 0 | 0 | 110.5 | ||||
| 895 | G | 60.8 | Low | 84.4 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -73.8 | 167.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V893 | V893-G895 PolarHBondContact O-N 2.98Š| ||
| 896 | R | 60.1 | Low | 84 | Confident | 155 Ų | 155 | 65.1 Ų | 65.1 | 59% | 0.585 | 32% | 0.324 | S | S | * | . | trans | -113.6 | 43.7 | 169.5 | -75 | -176.3 | 174.7 | 173 | -3.4 | 110.1 | R709 P711 F898 | R709-R896 PolarHBondContact O-NH1 2.9Å; P711-R896 HydrophobicContact CG-CB 4.3Å; P711-R896 HydrophobicContact CG-CG 4.03Å; R896-F898 PolarHBondContact O-N 3.27Å | ||
| 897 | S | 64.6 | Low | 83.3 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 128.8 | 171.3 | 47.1 | 0 | 0 | 0 | 0 | 109 | E734 | E734-S897 PolarHBondContact OE1-OG 3.29Å; E734-S897 VanDerWaalsContact OE2-CB 3.25Å; E734-S897 WeakPolarHBondContact OE2-CB 2.91Å; E734-S897 PolarHBondContact OE2-OG 3.09Å |
| 898 | F | 77.6 | Confident | 82.8 | Confident | 81 Ų | 81 | 68 Ų | 68 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 150.5 | 170 | -69.1 | -93.1 | 0 | 0 | 0 | 109 | M697 R896 G1048 I1050 | M697-F898 HydrophobicContact CE-CE2 4Å; M697-F898 HydrophobicContact CE-CZ 3.71Å; R896-F898 PolarHBondContact O-N 3.27Å; F898-G1048 WeakPolarHBondContact CB-O 3.36Å; F898-G1048 PolarHBondContact N-O 2.91Å; F898-I1050 WeakPolarHBondContact CE2-O 3.28Å |
| 899 | P | 83.1 | Confident | 82.4 | Confident | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 145.3 | 178 | -23.4 | 32.5 | 0 | 0 | 0 | 112.4 | Y1052 G1053 | P899-Y1052 HydrophobicContact CB-CD2 4.01Å; P899-Y1052 HydrophobicContact CB-CE2 4.22Å; P899-Y1052 WeakPolarHBondContact O-CD2 3.35Å; P899-G1053 PolarHBondContact O-N 3.17Å |
| 900 | I | 86.7 | Confident | 81.9 | Confident | 44 Ų | 44 | 75.6 Ų | 75.6 | 23% | 0.226 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.7 | -179.7 | -61 | 150.7 | 0 | 0 | 0 | 109.2 | A1044 A1047 G1053 A1055 | I900-A1044 VanDerWaalsContact CD1-O 3.3Å; I900-A1044 WeakPolarHBondContact CD1-O 3.42Å; I900-A1047 HydrophobicContact CG1-CB 4.37Å; I900-A1047 HydrophobicContact CG2-CB 4.25Å; I900-G1053 WeakPolarHBondContact CA-O 3.22Å; I900-A1055 HydrophobicContact CG2-CB 3.91Å |
| 901 | D | 91.8 | Very high | 81.8 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 27% | 0.267 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 129.5 | 168.5 | -77.3 | -0 | 0 | 0 | 0 | 110.5 | Y903 Y1052 G1053 K1054 A1055 | D901-Y903 HydrophobicContact CB-CD2 4.26Å; D901-Y903 HydrophobicContact CB-CE2 3.4Å; D901-Y903 PolarHBondContact OD2-OH 3.12Å; D901-Y1052 PolarHBondContact OD1-OH 3.09Å; D901-Y1052 PolarHBondContact OD2-OH 3.42Å; D901-G1053 PolarHBondContact N-O 3.34Å; D901-K1054 HydrophobicContact CB-CG 4.25Å; D901-K1054 CarbonylContact O-C 3.55Å; D901-K1054 WeakPolarHBondContact O-CA 3.29Å; D901-A1055 PolarHBondContact O-N 3.08Å |
| 902 | I | 90.9 | Very high | 81.9 | Confident | 72 Ų | 72 | 78 Ų | 78 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.5 | 177.5 | -55.4 | 178.4 | 0 | 0 | 0 | 109.7 | Y904 A1055 R1057 | I902-Y904 HydrophobicContact CG2-CD2 4.38Å; I902-Y904 HydrophobicContact CG2-CE1 4.32Å; I902-Y904 HydrophobicContact CG2-CE2 3.7Å; I902-A1055 WeakPolarHBondContact CA-O 3.45Å; I902-R1057 HydrophobicContact CG2-CG 4.31Å |
| 903 | Y | 92 | Very high | 82.2 | Confident | 87 Ų | 87 | 75 Ų | 75 | 34% | 0.341 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.5 | 177.1 | -60 | -90.5 | 0 | 0 | 0 | 110 | D901 K1054 A1055 Y1056 R1057 | D901-Y903 HydrophobicContact CB-CD2 4.26Å; D901-Y903 HydrophobicContact CB-CE2 3.4Å; D901-Y903 PolarHBondContact OD2-OH 3.12Å; Y903-K1054 HydrophobicContact CD2-CB 4.43Å; Y903-K1054 HydrophobicContact CE2-CB 3.99Å; Y903-K1054 HydrophobicContact CE2-CD 3.93Å; Y903-K1054 HydrophobicContact CE2-CG 3.99Å; Y903-A1055 PolarHBondContact N-O 3.37Å; Y903-Y1056 HydrophobicContact CD2-CD1 4.11Å; Y903-Y1056 AromaticContact CD2-CE1 3.82Å; Y903-Y1056 HydrophobicContact CD2-CE1 3.82Å; Y903-Y1056 HydrophobicContact CE2-CE1 4.44Å; Y903-Y1056 HydrophobicContact CG-CD1 4.1Å; Y903-Y1056 AromaticContact CG-CE1 3.95Å; Y903-Y1056 HydrophobicContact CG-CE1 3.95Å; Y903-R1057 PolarHBondContact O-N 3.38Å |
| 904 | Y | 89.5 | Confident | 82.7 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 22% | 0.216 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 155.3 | 176.1 | -61.9 | -86.8 | 0 | 0 | 0 | 110.9 | I902 R1057 Y1059 G1061 F1081 | I902-Y904 HydrophobicContact CG2-CD2 4.38Å; I902-Y904 HydrophobicContact CG2-CE1 4.32Å; I902-Y904 HydrophobicContact CG2-CE2 3.7Å; Y904-R1057 HydrophobicContact CD1-CB 3.83Å; Y904-R1057 HydrophobicContact CE1-CB 4.14Å; Y904-R1057 HydrophobicContact CE1-CG 4.33Å; Y904-R1057 PolarHBondContact OH-NH1 2.66Å; Y904-Y1059 HydrophobicContact CD1-CE2 4.5Å; Y904-Y1059 HydrophobicContact CE1-CE2 4.3Å; Y904-G1061 VanDerWaalsContact CD1-CA 3.46Å; Y904-F1081 HydrophobicContact CE1-CB 4.07Å; Y904-F1081 HydrophobicContact CE1-CG 4.31Å |
| 905 | T | 87.3 | Confident | 83.9 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 151.9 | 170.2 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | G907 V909 R1057 L1058 Y1059 P1060 | T905-G907 VanDerWaalsContact C-N 3.3Å; T905-G907 PolarHBondContact O-N 3.02Å; T905-G907 PolarHBondContact OG1-O 2.93Å; T905-V909 HydrophobicContact CG2-CG2 3.91Å; T905-R1057 PolarHBondContact N-O 3.37Å; T905-L1058 HydrophobicContact CG2-CD2 4.26Å; T905-Y1059 PolarHBondContact N-O 3.39Å; T905-Y1059 WeakPolarHBondContact OG1-CA 3.44Å; T905-Y1059 PolarHBondContact OG1-N 3.06Å; T905-Y1059 VanDerWaalsContact OG1-N 3.12Å; T905-Y1059 PolarHBondContact OG1-O 2.9Å; T905-P1060 WeakPolarHBondContact O-CA 3.32Å |
| 906 | R | 79.6 | Confident | 85.6 | Confident | 239 Ų | 239 | 70.9 Ų | 70.9 | 90% | 0.902 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -72.7 | -23.6 | 179.4 | -69.2 | -176.3 | -179.7 | 177.2 | -0.6 | 113.2 | L1077 | R906-L1077 WeakPolarHBondContact O-CD1 3.46Š|
| 907 | G | 78 | Confident | 87.3 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -155.8 | 166.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T905 | T905-G907 VanDerWaalsContact C-N 3.3Å; T905-G907 PolarHBondContact O-N 3.02Å; T905-G907 PolarHBondContact OG1-O 2.93Å |
| 908 | S | 81.9 | Confident | 88.8 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 61% | 0.608 | 36% | 0.356 | S | S | * | . | trans | -59.5 | 138.8 | -176.5 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 909 | V | 86.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | trans | -96.8 | 116.8 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 109.7 | T905 N911 A915 L1058 | T905-V909 HydrophobicContact CG2-CG2 3.91Å; V909-N911 WeakPolarHBondContact CG1-O 3.33Å; V909-N911 PolarHBondContact O-N 2.67Å; V909-A915 HydrophobicContact CG1-CB 3.35Å; V909-A915 HydrophobicContact CG2-CB 4.46Å; V909-L1058 HydrophobicContact CG2-CB 4.49Å; V909-L1058 VanDerWaalsContact CG2-O 3.3Å; V909-L1058 WeakPolarHBondContact CG2-O 3.42Å | ||
| 910 | P | 84.6 | Confident | 90.2 | Very high | 139 Ų | 139 | 61.1 Ų | 61.1 | 90% | 0.903 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -71.5 | -29.7 | -177.3 | 26.4 | -33.9 | 0 | 0 | 0 | 113.4 | ||
| 911 | N | 90.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | trans | -132.9 | 97 | 176.4 | -176.2 | -32 | 0 | 0 | 0 | 109.8 | V909 V913 N914 A915 | V909-N911 WeakPolarHBondContact CG1-O 3.33Å; V909-N911 PolarHBondContact O-N 2.67Å; N911-V913 VanDerWaalsContact C-N 3.27Å; N911-V913 PolarHBondContact O-N 2.88Å; N911-V913 WeakPolarHBondContact OD1-CB 3.25Å; N911-V913 PolarHBondContact OD1-N 2.75Å; N911-N914 HydrophobicContact CB-CB 4.39Å; N911-N914 PolarHBondContact ND2-ND2 3Å; N911-N914 PolarHBondContact O-N 2.85Å; N911-N914 PolarHBondContact OD1-N 3.03Å; N911-A915 PolarHBondContact O-N 2.93Å | ||
| 912 | Y | 93.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 64 Ų | 64 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70 | -19.7 | -178.3 | 54.8 | -104.3 | 0 | 0 | 0 | 113.6 | S916 L937 T938 E942 C1013 F1015 | Y912-S916 VanDerWaalsContact O-CB 3.24Å; Y912-S916 WeakPolarHBondContact O-CB 3.29Å; Y912-S916 PolarHBondContact O-N 2.81Å; Y912-S916 PolarHBondContact O-OG 2.87Å; Y912-L937 HydrophobicContact CD2-CD2 3.97Å; Y912-L937 HydrophobicContact CE2-CD2 4.33Å; Y912-T938 HydrophobicContact CE2-CG2 4.45Å; Y912-E942 WeakPolarHBondContact CE2-OE2 3.31Å; Y912-E942 PolarHBondContact OH-OE1 3.32Å; Y912-C1013 HydrophobicContact CD2-CB 3.87Å; Y912-C1013 HydrophobicContact CG-CB 3.99Å; Y912-F1015 AromaticContact CD1-CD2 3.92Å; Y912-F1015 HydrophobicContact CD1-CD2 3.92Å; Y912-F1015 HydrophobicContact CD1-CE2 4Å; Y912-F1015 HydrophobicContact CE1-CD2 4.01Å; Y912-F1015 HydrophobicContact CE1-CE2 4.29Å |
| 913 | V | 94.5 | Very high | 90.7 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.085 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69 | -52.5 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | N911 A915 S916 V917 L937 E942 T945 C946 L949 | N911-V913 VanDerWaalsContact C-N 3.27Å; N911-V913 PolarHBondContact O-N 2.88Å; N911-V913 WeakPolarHBondContact OD1-CB 3.25Å; N911-V913 PolarHBondContact OD1-N 2.75Å; V913-A915 VanDerWaalsContact C-N 3.32Å; V913-A915 PolarHBondContact O-N 3.27Å; V913-S916 WeakPolarHBondContact O-CB 3.11Å; V913-S916 PolarHBondContact O-N 2.92Å; V913-V917 WeakPolarHBondContact O-CG2 3.48Å; V913-V917 PolarHBondContact O-N 3.37Å; V913-L937 HydrophobicContact CG2-CD2 4.4Å; V913-E942 HydrophobicContact CG2-CB 4.09Å; V913-E942 HydrophobicContact CG2-CG 4.14Å; V913-T945 HydrophobicContact CG1-CG2 4.29Å; V913-C946 HydrophobicContact CG1-CB 3.96Å; V913-L949 HydrophobicContact CG1-CD1 4.3Å |
| 914 | N | 93.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 57 Ų | 57 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 177.6 | -76 | -10.3 | 0 | 0 | 0 | 112.3 | N911 V917 K918 L949 | N911-N914 HydrophobicContact CB-CB 4.39Å; N911-N914 PolarHBondContact ND2-ND2 3Å; N911-N914 PolarHBondContact O-N 2.85Å; N911-N914 PolarHBondContact OD1-N 3.03Å; N914-V917 PolarHBondContact O-N 2.91Å; N914-K918 WeakPolarHBondContact O-CG 3.44Å; N914-K918 PolarHBondContact O-N 3.03Å; N914-L949 WeakPolarHBondContact OD1-CD1 3.37Å |
| 915 | A | 94.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V909 N911 V913 K918 A919 L1058 | V909-A915 HydrophobicContact CG1-CB 3.35Å; V909-A915 HydrophobicContact CG2-CB 4.46Å; N911-A915 PolarHBondContact O-N 2.93Å; V913-A915 VanDerWaalsContact C-N 3.32Å; V913-A915 PolarHBondContact O-N 3.27Å; A915-K918 PolarHBondContact O-N 3.42Å; A915-A919 VanDerWaalsContact O-CB 3.28Å; A915-A919 WeakPolarHBondContact O-CB 3.34Å; A915-A919 PolarHBondContact O-N 2.92Å; A915-L1058 HydrophobicContact CB-CD1 4.04Å |
| 916 | S | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 172.2 | -67 | 0 | 0 | 0 | 0 | 111.8 | Y912 V913 A919 A920 L1058 | Y912-S916 VanDerWaalsContact O-CB 3.24Å; Y912-S916 WeakPolarHBondContact O-CB 3.29Å; Y912-S916 PolarHBondContact O-N 2.81Å; Y912-S916 PolarHBondContact O-OG 2.87Å; V913-S916 WeakPolarHBondContact O-CB 3.11Å; V913-S916 PolarHBondContact O-N 2.92Å; S916-A919 PolarHBondContact O-N 3.27Å; S916-A920 WeakPolarHBondContact O-CB 3.45Å; S916-A920 PolarHBondContact O-N 2.91Å; S916-L1058 VanDerWaalsContact OG-CD1 3.27Å; S916-L1058 WeakPolarHBondContact OG-CD1 3.4Å |
| 917 | V | 96.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -51.5 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | V913 N914 A919 A920 I921 L949 L950 E953 | V913-V917 WeakPolarHBondContact O-CG2 3.48Å; V913-V917 PolarHBondContact O-N 3.37Å; N914-V917 PolarHBondContact O-N 2.91Å; V917-A919 VanDerWaalsContact C-N 3.34Å; V917-A919 PolarHBondContact O-N 2.68Å; V917-A920 PolarHBondContact O-N 2.78Å; V917-I921 HydrophobicContact CG1-CG1 4.43Å; V917-I921 VanDerWaalsContact O-CG1 3.31Å; V917-I921 WeakPolarHBondContact O-CG1 3.27Å; V917-I921 PolarHBondContact O-N 3.43Å; V917-L949 HydrophobicContact CG1-CB 4.27Å; V917-L949 HydrophobicContact CG2-CB 3.72Å; V917-L949 HydrophobicContact CG2-CD1 4.16Å; V917-L950 HydrophobicContact CB-CD2 4.46Å; V917-L950 HydrophobicContact CG1-CD2 4.06Å; V917-L950 HydrophobicContact CG1-CG 4.37Å; V917-L950 HydrophobicContact CG2-CG 4.25Å; V917-E953 HydrophobicContact CG1-CG 3.85Å |
| 918 | K | 94.7 | Very high | 91.5 | Very high | 157 Ų | 157 | 56.9 Ų | 56.9 | 68% | 0.683 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.8 | -41.9 | 178.9 | -72.2 | 178 | -179.4 | -176.4 | 0 | 112.6 | N914 A915 R922 | N914-K918 WeakPolarHBondContact O-CG 3.44Å; N914-K918 PolarHBondContact O-N 3.03Å; A915-K918 PolarHBondContact O-N 3.42Å; K918-R922 WeakPolarHBondContact O-CB 3.11Å; K918-R922 PolarHBondContact O-N 3.1Å |
| 919 | A | 95 | Very high | 91 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A915 S916 V917 R922 I923 I1011 L1058 | A915-A919 VanDerWaalsContact O-CB 3.28Å; A915-A919 WeakPolarHBondContact O-CB 3.34Å; A915-A919 PolarHBondContact O-N 2.92Å; S916-A919 PolarHBondContact O-N 3.27Å; V917-A919 VanDerWaalsContact C-N 3.34Å; V917-A919 PolarHBondContact O-N 2.68Å; A919-R922 PolarHBondContact O-N 3.12Å; A919-I923 WeakPolarHBondContact O-CB 3.4Å; A919-I923 VanDerWaalsContact O-CG1 3.24Å; A919-I923 WeakPolarHBondContact O-CG1 3.24Å; A919-I923 PolarHBondContact O-N 2.94Å; A919-I1011 HydrophobicContact CB-CD1 3.77Å; A919-I1011 HydrophobicContact CB-CG1 4.22Å; A919-I1011 HydrophobicContact CB-CG2 4.39Å; A919-L1058 HydrophobicContact CB-CD2 4.37Å |
| 920 | A | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S916 V917 I923 H924 I933 I935 L950 I1011 | S916-A920 WeakPolarHBondContact O-CB 3.45Å; S916-A920 PolarHBondContact O-N 2.91Å; V917-A920 PolarHBondContact O-N 2.78Å; A920-I923 PolarHBondContact O-N 3.11Å; A920-H924 VanDerWaalsContact O-CB 3.3Å; A920-H924 WeakPolarHBondContact O-CB 3.37Å; A920-H924 PolarHBondContact O-N 3.1Å; A920-I933 HydrophobicContact CB-CD1 4.38Å; A920-I933 HydrophobicContact CB-CG2 4.49Å; A920-I935 HydrophobicContact CB-CD1 3.86Å; A920-L950 HydrophobicContact CB-CD2 3.86Å; A920-I1011 HydrophobicContact CB-CD1 3.75Å |
| 921 | I | 94.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 175.4 | -64.3 | -65.7 | 0 | 0 | 0 | 111.4 | V917 H924 R925 L950 E953 L957 L963 | V917-I921 HydrophobicContact CG1-CG1 4.43Å; V917-I921 VanDerWaalsContact O-CG1 3.31Å; V917-I921 WeakPolarHBondContact O-CG1 3.27Å; V917-I921 PolarHBondContact O-N 3.43Å; I921-H924 PolarHBondContact O-N 2.96Å; I921-R925 WeakPolarHBondContact O-CG 3.37Å; I921-R925 PolarHBondContact O-N 2.84Å; I921-L950 HydrophobicContact CD1-CD2 4.39Å; I921-L950 HydrophobicContact CG1-CD2 4.43Å; I921-E953 HydrophobicContact CD1-CB 3.72Å; I921-E953 HydrophobicContact CG1-CB 3.95Å; I921-E953 HydrophobicContact CG1-CG 4.44Å; I921-L957 HydrophobicContact CD1-CD1 4.16Å; I921-L957 HydrophobicContact CG2-CD2 4.27Å; I921-L963 HydrophobicContact CD1-CD1 3.76Å |
| 922 | R | 93 | Very high | 90.7 | Very high | 144 Ų | 144 | 48.3 Ų | 48.3 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 175.8 | -169.9 | -179.2 | 81.3 | 171.1 | 5.2 | 111.8 | K918 A919 H924 R925 C926 | K918-R922 WeakPolarHBondContact O-CB 3.11Å; K918-R922 PolarHBondContact O-N 3.1Å; A919-R922 PolarHBondContact O-N 3.12Å; R922-H924 VanDerWaalsContact C-N 3.3Å; R922-H924 PolarHBondContact O-N 2.62Å; R922-R925 PolarHBondContact O-N 3.47Å; R922-C926 VanDerWaalsContact O-CB 3.31Å; R922-C926 WeakPolarHBondContact O-CB 3.48Å; R922-C926 PolarHBondContact O-N 2.93Å; R922-C926 PolarHBondContact O-SG 3.32Å |
| 923 | I | 93.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 176.3 | -70.7 | 167 | 0 | 0 | 0 | 109.9 | A919 A920 R925 C926 E927 I933 R989 Y1009 I1011 Y1056 | A919-I923 WeakPolarHBondContact O-CB 3.4Å; A919-I923 VanDerWaalsContact O-CG1 3.24Å; A919-I923 WeakPolarHBondContact O-CG1 3.24Å; A919-I923 PolarHBondContact O-N 2.94Å; A920-I923 PolarHBondContact O-N 3.11Å; I923-R925 VanDerWaalsContact C-N 3.33Å; I923-R925 PolarHBondContact O-N 3.38Å; I923-C926 PolarHBondContact O-N 3.31Å; I923-E927 HydrophobicContact CB-CG 4.47Å; I923-E927 HydrophobicContact CG2-CB 4.38Å; I923-E927 HydrophobicContact CG2-CG 4.05Å; I923-E927 VanDerWaalsContact O-CB 3.25Å; I923-E927 WeakPolarHBondContact O-CB 3.08Å; I923-E927 PolarHBondContact O-N 3.5Å; I923-I933 HydrophobicContact CB-CD1 4.01Å; I923-I933 HydrophobicContact CG2-CD1 3.6Å; I923-I933 HydrophobicContact CG2-CG1 3.94Å; I923-R989 PolarHBondContact O-NH1 3.31Å; I923-Y1009 HydrophobicContact CG2-CD1 3.9Å; I923-Y1009 HydrophobicContact CG2-CD2 3.78Å; I923-Y1009 HydrophobicContact CG2-CE1 4.38Å; I923-Y1009 HydrophobicContact CG2-CE2 4.26Å; I923-Y1009 HydrophobicContact CG2-CG 3.59Å; I923-I1011 HydrophobicContact CD1-CD1 3.85Å; I923-I1011 HydrophobicContact CD1-CG1 3.87Å; I923-Y1056 HydrophobicContact CD1-CD2 3.38Å; I923-Y1056 HydrophobicContact CD1-CE2 3.36Å; I923-Y1056 HydrophobicContact CD1-CG 4.17Å; I923-Y1056 HydrophobicContact CG1-CD2 4.11Å; I923-Y1056 HydrophobicContact CG1-CE2 3.6Å |
| 924 | H | 91.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 179.1 | -174.4 | 67.6 | 0 | 0 | 0 | 113.5 | A920 I921 R922 D961 L963 R989 | A920-H924 VanDerWaalsContact O-CB 3.3Å; A920-H924 WeakPolarHBondContact O-CB 3.37Å; A920-H924 PolarHBondContact O-N 3.1Å; I921-H924 PolarHBondContact O-N 2.96Å; R922-H924 VanDerWaalsContact C-N 3.3Å; R922-H924 PolarHBondContact O-N 2.62Å; H924-D961 PolarHBondContact CE1-O 2.78Å; H924-D961 PolarHBondContact NE2-O 2.82Å; H924-L963 HydrophobicContact CB-CD2 4.17Å; H924-L963 VanDerWaalsContact CE1-CD2 3.5Å; H924-L963 WeakPolarHBondContact CE1-CD2 3.42Å; H924-L963 VanDerWaalsContact ND1-CD2 3.32Å; H924-L963 WeakPolarHBondContact ND1-CD2 3.5Å; H924-R989 WeakPolarHBondContact ND1-CD 3.34Å; H924-R989 PolarHBondContact ND1-NE 3.23Å |
| 925 | R | 89.6 | Confident | 91 | Very high | 135 Ų | 135 | 42.2 Ų | 42.2 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -79.1 | -35.7 | 179.3 | -71.1 | -179.7 | -178.6 | -177.3 | 2.7 | 114.2 | I921 R922 I923 L957 | I921-R925 WeakPolarHBondContact O-CG 3.37Å; I921-R925 PolarHBondContact O-N 2.84Å; R922-R925 PolarHBondContact O-N 3.47Å; I923-R925 VanDerWaalsContact C-N 3.33Å; I923-R925 PolarHBondContact O-N 3.38Å; R925-L957 HydrophobicContact CG-CD2 4.07Å |
| 926 | C | 89.3 | Confident | 91.1 | Very high | 97 Ų | 97 | 41.2 Ų | 41.2 | 66% | 0.655 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -105.2 | -26.7 | -166.2 | -54.2 | 0 | 0 | 0 | 0 | 114 | R922 I923 | R922-C926 VanDerWaalsContact O-CB 3.31Å; R922-C926 WeakPolarHBondContact O-CB 3.48Å; R922-C926 PolarHBondContact O-N 2.93Å; R922-C926 PolarHBondContact O-SG 3.32Å; I923-C926 PolarHBondContact O-N 3.31Å |
| 927 | E | 89.7 | Confident | 91.1 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -90.5 | 147.2 | -179.5 | -61.6 | -73.5 | 174.7 | 0 | 0 | 110.8 | I923 R989 Y1009 K1054 Y1056 | I923-E927 HydrophobicContact CB-CG 4.47Å; I923-E927 HydrophobicContact CG2-CB 4.38Å; I923-E927 HydrophobicContact CG2-CG 4.05Å; I923-E927 VanDerWaalsContact O-CB 3.25Å; I923-E927 WeakPolarHBondContact O-CB 3.08Å; I923-E927 PolarHBondContact O-N 3.5Å; E927-R989 PolarHBondContact O-NH2 3.34Å; E927-Y1009 HydrophobicContact CB-CE1 3.86Å; E927-Y1009 HydrophobicContact CB-CE2 4.41Å; E927-Y1009 WeakPolarHBondContact CB-OH 3.27Å; E927-Y1009 HydrophobicContact CG-CD1 4.35Å; E927-Y1009 HydrophobicContact CG-CE1 3.69Å; E927-K1054 WeakPolarHBondContact OE1-CD 3.4Å; E927-K1054 IonicContact OE1-NZ 3.33Å; E927-K1054 PolarHBondContact OE1-NZ 2.86Å; E927-K1054 IonicContact OE2-NZ 3.85Å; E927-K1054 PolarHBondContact OE2-NZ 3.39Å; E927-Y1056 PolarHBondContact OE1-OH 3.38Å |
| 928 | P | 81.3 | Confident | 90.8 | Very high | 91 Ų | 91 | 41.2 Ų | 41.2 | 59% | 0.591 | 22% | 0.224 | S | C | * | . | P | Polyproline II helix | trans | -49.9 | 150.8 | -177.7 | -26.7 | 33.7 | 0 | 0 | 0 | 113.8 | G930 R989 | P928-G930 PolarHBondContact O-N 3.06Å; P928-R989 PolarHBondContact O-NH2 2.64Å |
| 929 | S | 71.5 | Confident | 90.4 | Very high | 99 Ų | 99 | 34.2 Ų | 34.2 | 69% | 0.692 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -60.3 | 132.5 | 172.9 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 930 | G | 75.4 | Confident | 89.8 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 38% | 0.381 | 21% | 0.205 | S | C | . | . | trans | 101.3 | 138.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P928 R1051 | P928-G930 PolarHBondContact O-N 3.06Å; G930-R1051 PolarHBondContact O-NH2 3.34Å | ||
| 931 | G | 86.5 | Confident | 89.2 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | trans | 100.3 | 117.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1009 | G931-Y1009 WeakPolarHBondContact O-CD2 3.42Å; G931-Y1009 WeakPolarHBondContact O-CE2 3.35Å | ||
| 932 | D | 93.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 158.6 | -176.5 | -61.8 | -31.2 | 0 | 0 | 0 | 111.2 | K990 G1006 I1007 V1008 Y1009 | D932-K990 WeakPolarHBondContact CA-O 3.35Å; D932-K990 HydrophobicContact CB-CB 4.13Å; D932-K990 WeakPolarHBondContact CB-O 3.44Å; D932-K990 WeakPolarHBondContact OD1-CB 3.37Å; D932-K990 PolarHBondContact OD1-N 2.92Å; D932-K990 WeakPolarHBondContact OD2-CE 3.25Å; D932-K990 IonicContact OD2-NZ 3.82Å; D932-G1006 WeakPolarHBondContact CB-O 3.49Å; D932-G1006 PolarHBondContact N-O 3.36Å; D932-G1006 WeakPolarHBondContact OD2-CA 3.38Å; D932-I1007 HydrophobicContact CB-CD1 3.78Å; D932-V1008 PolarHBondContact O-N 3Å; D932-Y1009 PolarHBondContact O-N 3.43Å; D932-Y1009 VanDerWaalsContact O-N 3.09Å |
| 933 | I | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.9 | -177.9 | -52.4 | 177.7 | 0 | 0 | 0 | 108.8 | A920 I923 I935 K990 V991 V992 Y1009 I1011 | A920-I933 HydrophobicContact CB-CD1 4.38Å; A920-I933 HydrophobicContact CB-CG2 4.49Å; I923-I933 HydrophobicContact CB-CD1 4.01Å; I923-I933 HydrophobicContact CG2-CD1 3.6Å; I923-I933 HydrophobicContact CG2-CG1 3.94Å; I933-I935 HydrophobicContact CG2-CG1 4.06Å; I933-K990 PolarHBondContact N-O 3.28Å; I933-V991 HydrophobicContact CB-CG1 4.24Å; I933-V991 HydrophobicContact CB-CG2 4.25Å; I933-V991 HydrophobicContact CD1-CG2 4.17Å; I933-V991 HydrophobicContact CG1-CG2 4.48Å; I933-V991 HydrophobicContact CG2-CG1 4.4Å; I933-V991 CarbonylContact O-C 3.55Å; I933-V991 WeakPolarHBondContact O-CA 3.47Å; I933-V992 PolarHBondContact O-N 3.24Å; I933-Y1009 CarbonylContact C-O 3.55Å; I933-Y1009 WeakPolarHBondContact CA-O 3.34Å; I933-Y1009 HydrophobicContact CG1-CD2 4.2Å; I933-I1011 HydrophobicContact CG2-CD1 3.83Å; I933-I1011 HydrophobicContact CG2-CG1 4.33Å |
| 934 | L | 96.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.6 | 170.3 | 178.2 | 61.1 | 0 | 0 | 0 | 109.8 | F936 V992 A994 A998 I1007 Y1009 V1010 I1011 R1046 | L934-F936 HydrophobicContact CD2-CE2 3.64Å; L934-F936 HydrophobicContact CD2-CZ 3.64Å; L934-F936 HydrophobicContact CG-CD2 4.44Å; L934-F936 HydrophobicContact CG-CE2 3.94Å; L934-F936 HydrophobicContact CG-CZ 4.2Å; L934-V992 CarbonylContact C-O 3.58Å; L934-V992 WeakPolarHBondContact CA-O 3.46Å; L934-V992 HydrophobicContact CD1-CB 3.87Å; L934-V992 HydrophobicContact CD1-CG1 3.68Å; L934-A994 HydrophobicContact CD1-CB 3.74Å; L934-A998 HydrophobicContact CD1-CB 3.92Å; L934-A998 HydrophobicContact CD2-CB 4.07Å; L934-I1007 HydrophobicContact CB-CD1 3.83Å; L934-I1007 HydrophobicContact CB-CG1 4.15Å; L934-I1007 HydrophobicContact CB-CG2 3.68Å; L934-I1007 HydrophobicContact CD2-CG2 4.42Å; L934-Y1009 PolarHBondContact N-O 2.83Å; L934-V1010 HydrophobicContact CB-CG2 4.35Å; L934-V1010 CarbonylContact O-C 3.54Å; L934-V1010 WeakPolarHBondContact O-CA 3.18Å; L934-I1011 PolarHBondContact O-N 3Å; L934-R1046 HydrophobicContact CD2-CB 3.94Å; L934-R1046 HydrophobicContact CD2-CG 4.09Å |
| 935 | I | 97.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.7 | 177.9 | -49.8 | -173.8 | 0 | 0 | 0 | 108.8 | A920 I933 L937 L950 V991 V992 V993 A994 I1011 | A920-I935 HydrophobicContact CB-CD1 3.86Å; I933-I935 HydrophobicContact CG2-CG1 4.06Å; I935-L937 HydrophobicContact CG2-CD2 4.45Å; I935-L937 HydrophobicContact CG2-CG 4.11Å; I935-L950 HydrophobicContact CD1-CD1 4.07Å; I935-V991 HydrophobicContact CD1-CG1 3.82Å; I935-V991 HydrophobicContact CG1-CG1 4.19Å; I935-V992 PolarHBondContact N-O 3.02Å; I935-V993 HydrophobicContact CB-CG1 4.4Å; I935-V993 HydrophobicContact CD1-CG2 4.24Å; I935-A994 PolarHBondContact O-N 3.32Å; I935-I1011 WeakPolarHBondContact CA-O 3.19Å; I935-I1011 HydrophobicContact CD1-CD1 4.22Å; I935-I1011 HydrophobicContact CG1-CB 4.29Å; I935-I1011 HydrophobicContact CG1-CD1 4.06Å; I935-I1011 HydrophobicContact CG2-CB 4.32Å; I935-I1011 HydrophobicContact CG2-CG2 4.32Å |
| 936 | F | 96.9 | Very high | 89 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.1 | 171.3 | -74.3 | -78.5 | 0 | 0 | 0 | 111 | L934 A994 A998 E999 V1010 I1011 C1013 R1043 R1046 | L934-F936 HydrophobicContact CD2-CE2 3.64Å; L934-F936 HydrophobicContact CD2-CZ 3.64Å; L934-F936 HydrophobicContact CG-CD2 4.44Å; L934-F936 HydrophobicContact CG-CE2 3.94Å; L934-F936 HydrophobicContact CG-CZ 4.2Å; F936-A994 CarbonylContact C-O 3.55Å; F936-A994 WeakPolarHBondContact CA-O 3.41Å; F936-A998 HydrophobicContact CE1-CB 3.86Å; F936-A998 HydrophobicContact CZ-CB 4.07Å; F936-E999 HydrophobicContact CE1-CB 3.97Å; F936-E999 HydrophobicContact CZ-CB 4.43Å; F936-V1010 HydrophobicContact CD2-CG1 4.02Å; F936-V1010 HydrophobicContact CE2-CG1 4.05Å; F936-I1011 PolarHBondContact N-O 3.17Å; F936-C1013 WeakPolarHBondContact O-CB 3.43Å; F936-C1013 PolarHBondContact O-SG 2.96Å; F936-R1043 HydrophobicContact CD1-CG 4.19Å; F936-R1043 HydrophobicContact CD2-CB 3.88Å; F936-R1043 HydrophobicContact CD2-CG 3.75Å; F936-R1043 HydrophobicContact CE1-CG 4.07Å; F936-R1043 HydrophobicContact CE2-CB 3.64Å; F936-R1043 HydrophobicContact CE2-CG 3.61Å; F936-R1043 HydrophobicContact CG-CG 4.03Å; F936-R1043 HydrophobicContact CZ-CB 4.21Å; F936-R1043 HydrophobicContact CZ-CG 3.78Å; F936-R1046 HydrophobicContact CE2-CG 4.48Å; F936-R1046 HydrophobicContact CZ-CG 4.27Å |
| 937 | L | 95.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -127.2 | 175.6 | 172.6 | -66 | 178 | 0 | 0 | 0 | 110.3 | Y912 V913 I935 E942 V943 C946 V993 A994 T995 C1013 | Y912-L937 HydrophobicContact CD2-CD2 3.97Å; Y912-L937 HydrophobicContact CE2-CD2 4.33Å; V913-L937 HydrophobicContact CG2-CD2 4.4Å; I935-L937 HydrophobicContact CG2-CD2 4.45Å; I935-L937 HydrophobicContact CG2-CG 4.11Å; L937-E942 HydrophobicContact CB-CB 4.33Å; L937-E942 HydrophobicContact CD1-CB 4.32Å; L937-E942 WeakPolarHBondContact CD1-O 3.26Å; L937-V943 HydrophobicContact CB-CG2 4.12Å; L937-C946 HydrophobicContact CD1-CB 3.46Å; L937-C946 VanDerWaalsContact CD1-CB 3.46Å; L937-V993 HydrophobicContact CD1-CG1 3.6Å; L937-V993 HydrophobicContact CG-CG1 4.32Å; L937-A994 PolarHBondContact N-O 3.06Å; L937-T995 WeakPolarHBondContact O-CA 3.39Å; L937-C1013 HydrophobicContact CD2-CB 4.31Å | ||
| 938 | T | 91.1 | Very high | 89.3 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -94.7 | -27 | -165.4 | 79.6 | 0 | 0 | 0 | 0 | 114.3 | Y912 E942 F1015 K1017 V1032 | Y912-T938 HydrophobicContact CE2-CG2 4.45Å; T938-E942 WeakPolarHBondContact CB-OE2 3.22Å; T938-E942 WeakPolarHBondContact CG2-OE2 3.2Å; T938-E942 PolarHBondContact N-OE2 3.39Å; T938-E942 PolarHBondContact OG1-OE1 2.86Å; T938-E942 PolarHBondContact OG1-OE2 3.49Å; T938-F1015 HydrophobicContact CG2-CB 3.54Å; T938-K1017 VanDerWaalsContact OG1-CE 3.3Å; T938-K1017 WeakPolarHBondContact OG1-CE 3.39Å; T938-V1032 HydrophobicContact CG2-CG1 4Å |
| 939 | G | 85.5 | Confident | 89.9 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -166.1 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E941 E942 V943 | G939-E941 PolarHBondContact O-N 3.46Å; G939-E942 PolarHBondContact O-N 3.1Å; G939-V943 VanDerWaalsContact O-CG2 3.31Å; G939-V943 WeakPolarHBondContact O-CG2 3.47Å; G939-V943 PolarHBondContact O-N 3.24Å |
| 940 | E | 83.3 | Confident | 91 | Very high | 67 Ų | 67 | 25.7 Ų | 25.7 | 31% | 0.313 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -52.3 | -50.2 | -173.6 | 172.8 | 167.9 | -163.9 | 0 | 0 | 113.8 | E942 V943 I944 Y969 | E940-E942 PolarHBondContact O-N 2.59Å; E940-V943 PolarHBondContact O-N 2.89Å; E940-I944 HydrophobicContact CG-CD1 3.58Å; E940-I944 HydrophobicContact CG-CG1 4.29Å; E940-I944 WeakPolarHBondContact O-CG1 3.44Å; E940-I944 PolarHBondContact O-N 3.14Å; E940-Y969 HydrophobicContact CB-CD2 3.82Å; E940-Y969 HydrophobicContact CB-CE2 3.96Å; E940-Y969 HydrophobicContact CB-CG 4.13Å; E940-Y969 HydrophobicContact CG-CD2 3.9Å; E940-Y969 HydrophobicContact CG-CE1 4.14Å; E940-Y969 HydrophobicContact CG-CE2 3.49Å; E940-Y969 VanDerWaalsContact CG-CE2 3.49Å; E940-Y969 HydrophobicContact CG-CG 4.39Å; E940-Y969 VanDerWaalsContact OE1-CE2 3.23Å; E940-Y969 WeakPolarHBondContact OE1-CE2 3.43Å; E940-Y969 PolarHBondContact OE1-OH 2.91Å |
| 941 | E | 82.8 | Confident | 91.7 | Very high | 149 Ų | 149 | 29.2 Ų | 29.2 | 70% | 0.696 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -59.4 | -44.3 | -177.4 | -174.8 | 178.6 | -173.9 | 0 | 0 | 112.4 | G939 T945 | G939-E941 PolarHBondContact O-N 3.46Å; E941-T945 VanDerWaalsContact O-CB 3.27Å; E941-T945 WeakPolarHBondContact O-CB 3.34Å; E941-T945 PolarHBondContact O-N 3.19Å; E941-T945 PolarHBondContact O-OG1 3.11Å |
| 942 | E | 91.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 34.1 Ų | 34.1 | 13% | 0.131 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -40.5 | 177.2 | -65.6 | 174.8 | -173 | 0 | 0 | 111.6 | Y912 V913 L937 T938 G939 E940 T945 C946 | Y912-E942 WeakPolarHBondContact CE2-OE2 3.31Å; Y912-E942 PolarHBondContact OH-OE1 3.32Å; V913-E942 HydrophobicContact CG2-CB 4.09Å; V913-E942 HydrophobicContact CG2-CG 4.14Å; L937-E942 HydrophobicContact CB-CB 4.33Å; L937-E942 HydrophobicContact CD1-CB 4.32Å; L937-E942 WeakPolarHBondContact CD1-O 3.26Å; T938-E942 WeakPolarHBondContact CB-OE2 3.22Å; T938-E942 WeakPolarHBondContact CG2-OE2 3.2Å; T938-E942 PolarHBondContact N-OE2 3.39Å; T938-E942 PolarHBondContact OG1-OE1 2.86Å; T938-E942 PolarHBondContact OG1-OE2 3.49Å; G939-E942 PolarHBondContact O-N 3.1Å; E940-E942 PolarHBondContact O-N 2.59Å; E942-T945 PolarHBondContact O-N 3.26Å; E942-C946 VanDerWaalsContact O-CB 3.26Å; E942-C946 WeakPolarHBondContact O-CB 3.45Å; E942-C946 PolarHBondContact O-N 3.05Å |
| 943 | V | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -50.9 | 176.5 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | L937 G939 E940 T945 C946 C947 P967 Y969 V993 T995 | L937-V943 HydrophobicContact CB-CG2 4.12Å; G939-V943 VanDerWaalsContact O-CG2 3.31Å; G939-V943 WeakPolarHBondContact O-CG2 3.47Å; G939-V943 PolarHBondContact O-N 3.24Å; E940-V943 PolarHBondContact O-N 2.89Å; V943-T945 VanDerWaalsContact C-N 3.35Å; V943-T945 PolarHBondContact O-N 3.39Å; V943-C946 PolarHBondContact O-N 2.79Å; V943-C947 WeakPolarHBondContact O-CB 3.25Å; V943-C947 PolarHBondContact O-N 2.85Å; V943-C947 PolarHBondContact O-SG 2.83Å; V943-P967 HydrophobicContact CG1-CB 3.62Å; V943-Y969 HydrophobicContact CB-CD1 4.28Å; V943-Y969 HydrophobicContact CG1-CD1 3.86Å; V943-Y969 HydrophobicContact CG1-CE1 4.33Å; V943-V993 HydrophobicContact CB-CG1 4.22Å; V943-V993 HydrophobicContact CG1-CB 4.11Å; V943-V993 HydrophobicContact CG1-CG1 3.9Å; V943-V993 WeakPolarHBondContact CG1-O 3.21Å; V943-V993 HydrophobicContact CG2-CG1 4.16Å; V943-T995 HydrophobicContact CG2-CG2 4.2Å |
| 944 | I | 89.6 | Confident | 91.3 | Very high | 51 Ų | 51 | 38.7 Ų | 38.7 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 179.1 | -66.8 | 171.9 | 0 | 0 | 0 | 110.6 | E940 C947 N948 Y969 | E940-I944 HydrophobicContact CG-CD1 3.58Å; E940-I944 HydrophobicContact CG-CG1 4.29Å; E940-I944 WeakPolarHBondContact O-CG1 3.44Å; E940-I944 PolarHBondContact O-N 3.14Å; I944-C947 PolarHBondContact O-N 2.82Å; I944-N948 VanDerWaalsContact O-CG 3.29Å; I944-N948 PolarHBondContact O-N 3.48Å; I944-N948 PolarHBondContact O-ND2 2.75Å; I944-Y969 HydrophobicContact CG1-CE1 4.27Å |
| 945 | T | 90.7 | Very high | 90.7 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111 | V913 E941 E942 V943 C947 N948 L949 | V913-T945 HydrophobicContact CG1-CG2 4.29Å; E941-T945 VanDerWaalsContact O-CB 3.27Å; E941-T945 WeakPolarHBondContact O-CB 3.34Å; E941-T945 PolarHBondContact O-N 3.19Å; E941-T945 PolarHBondContact O-OG1 3.11Å; E942-T945 PolarHBondContact O-N 3.26Å; V943-T945 VanDerWaalsContact C-N 3.35Å; V943-T945 PolarHBondContact O-N 3.39Å; T945-C947 VanDerWaalsContact C-N 3.33Å; T945-C947 PolarHBondContact O-N 2.8Å; T945-N948 PolarHBondContact O-N 2.84Å; T945-L949 HydrophobicContact CG2-CD1 4.06Å; T945-L949 WeakPolarHBondContact O-CG 3.26Å; T945-L949 PolarHBondContact O-N 2.78Å |
| 946 | C | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 175.4 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | V913 L937 E942 V943 N948 L949 L950 V993 | V913-C946 HydrophobicContact CG1-CB 3.96Å; L937-C946 HydrophobicContact CD1-CB 3.46Å; L937-C946 VanDerWaalsContact CD1-CB 3.46Å; E942-C946 VanDerWaalsContact O-CB 3.26Å; E942-C946 WeakPolarHBondContact O-CB 3.45Å; E942-C946 PolarHBondContact O-N 3.05Å; V943-C946 PolarHBondContact O-N 2.79Å; C946-N948 VanDerWaalsContact C-N 3.34Å; C946-N948 PolarHBondContact O-N 2.83Å; C946-L949 PolarHBondContact O-N 3.45Å; C946-L950 WeakPolarHBondContact O-CB 3.42Å; C946-L950 VanDerWaalsContact O-CG 3.26Å; C946-L950 WeakPolarHBondContact O-CG 3.43Å; C946-L950 PolarHBondContact O-N 2.87Å; C946-V993 HydrophobicContact CB-CG1 4.06Å |
| 947 | C | 93.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177 | -72.2 | 0 | 0 | 0 | 0 | 112.2 | V943 I944 T945 K951 I965 | V943-C947 WeakPolarHBondContact O-CB 3.25Å; V943-C947 PolarHBondContact O-N 2.85Å; V943-C947 PolarHBondContact O-SG 2.83Å; I944-C947 PolarHBondContact O-N 2.82Å; T945-C947 VanDerWaalsContact C-N 3.33Å; T945-C947 PolarHBondContact O-N 2.8Å; C947-K951 VanDerWaalsContact O-CG 3.27Å; C947-K951 WeakPolarHBondContact O-CG 3.4Å; C947-K951 PolarHBondContact O-N 3.01Å; C947-I965 HydrophobicContact CB-CG2 3.8Å; C947-I965 VanDerWaalsContact SG-CG2 3.53Å |
| 948 | N | 91.7 | Very high | 88 | Confident | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 177.8 | -69.4 | -22.4 | 0 | 0 | 0 | 111.3 | I944 T945 C946 L950 K951 E952 | I944-N948 VanDerWaalsContact O-CG 3.29Å; I944-N948 PolarHBondContact O-N 3.48Å; I944-N948 PolarHBondContact O-ND2 2.75Å; T945-N948 PolarHBondContact O-N 2.84Å; C946-N948 VanDerWaalsContact C-N 3.34Å; C946-N948 PolarHBondContact O-N 2.83Å; N948-L950 VanDerWaalsContact C-N 3.35Å; N948-L950 PolarHBondContact O-N 2.79Å; N948-K951 WeakPolarHBondContact O-CB 3.44Å; N948-K951 PolarHBondContact O-N 2.92Å; N948-K951 VanDerWaalsContact O-N 3.11Å; N948-E952 WeakPolarHBondContact O-CG 3.45Å; N948-E952 PolarHBondContact O-N 2.88Å |
| 949 | L | 93.8 | Very high | 86.9 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.7 | -69 | 172.1 | 0 | 0 | 0 | 112 | V913 N914 V917 T945 C946 K951 E952 E953 | V913-L949 HydrophobicContact CG1-CD1 4.3Å; N914-L949 WeakPolarHBondContact OD1-CD1 3.37Å; V917-L949 HydrophobicContact CG1-CB 4.27Å; V917-L949 HydrophobicContact CG2-CB 3.72Å; V917-L949 HydrophobicContact CG2-CD1 4.16Å; T945-L949 HydrophobicContact CG2-CD1 4.06Å; T945-L949 WeakPolarHBondContact O-CG 3.26Å; T945-L949 PolarHBondContact O-N 2.78Å; C946-L949 PolarHBondContact O-N 3.45Å; L949-K951 VanDerWaalsContact C-N 3.32Å; L949-K951 PolarHBondContact O-N 2.88Å; L949-E952 PolarHBondContact O-N 2.87Å; L949-E953 WeakPolarHBondContact O-CB 3.41Å; L949-E953 WeakPolarHBondContact O-CG 3.48Å; L949-E953 PolarHBondContact O-N 3.43Å |
| 950 | L | 94.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 173.4 | -76.5 | 167.3 | 0 | 0 | 0 | 112 | V917 A920 I921 I935 C946 N948 S954 L963 I965 V991 V993 | V917-L950 HydrophobicContact CB-CD2 4.46Å; V917-L950 HydrophobicContact CG1-CD2 4.06Å; V917-L950 HydrophobicContact CG1-CG 4.37Å; V917-L950 HydrophobicContact CG2-CG 4.25Å; A920-L950 HydrophobicContact CB-CD2 3.86Å; I921-L950 HydrophobicContact CD1-CD2 4.39Å; I921-L950 HydrophobicContact CG1-CD2 4.43Å; I935-L950 HydrophobicContact CD1-CD1 4.07Å; C946-L950 WeakPolarHBondContact O-CB 3.42Å; C946-L950 VanDerWaalsContact O-CG 3.26Å; C946-L950 WeakPolarHBondContact O-CG 3.43Å; C946-L950 PolarHBondContact O-N 2.87Å; N948-L950 VanDerWaalsContact C-N 3.35Å; N948-L950 PolarHBondContact O-N 2.79Å; L950-S954 WeakPolarHBondContact O-CB 3.05Å; L950-S954 PolarHBondContact O-N 2.8Å; L950-L963 HydrophobicContact CD2-CD1 4.36Å; L950-I965 HydrophobicContact CB-CD1 3.48Å; L950-I965 VanDerWaalsContact CB-CD1 3.48Å; L950-I965 HydrophobicContact CB-CG1 4.11Å; L950-I965 HydrophobicContact CD1-CG2 4.42Å; L950-V991 HydrophobicContact CD1-CG1 3.85Å; L950-V993 HydrophobicContact CD1-CG2 3.9Å |
| 951 | K | 91.5 | Very high | 85.7 | Confident | 111 Ų | 111 | 65.3 Ų | 65.3 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 174.9 | -75.1 | 171.4 | -174.5 | 173.6 | 0 | 111.7 | C947 N948 L949 K955 I965 | C947-K951 VanDerWaalsContact O-CG 3.27Å; C947-K951 WeakPolarHBondContact O-CG 3.4Å; C947-K951 PolarHBondContact O-N 3.01Å; N948-K951 WeakPolarHBondContact O-CB 3.44Å; N948-K951 PolarHBondContact O-N 2.92Å; N948-K951 VanDerWaalsContact O-N 3.11Å; L949-K951 VanDerWaalsContact C-N 3.32Å; L949-K951 PolarHBondContact O-N 2.88Å; K951-K955 WeakPolarHBondContact O-CG 3.26Å; K951-K955 PolarHBondContact O-N 3.05Å; K951-I965 HydrophobicContact CB-CD1 4.28Å; K951-I965 HydrophobicContact CG-CD1 3.56Å |
| 952 | E | 90.2 | Very high | 85.8 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.2 | -51.3 | 176.6 | -72.3 | 176.2 | 173.1 | 0 | 0 | 111.4 | N948 L949 S954 K955 | N948-E952 WeakPolarHBondContact O-CG 3.45Å; N948-E952 PolarHBondContact O-N 2.88Å; L949-E952 PolarHBondContact O-N 2.87Å; E952-S954 VanDerWaalsContact C-N 3.26Å; E952-S954 PolarHBondContact O-N 3.25Å; E952-K955 WeakPolarHBondContact O-CB 3.28Å; E952-K955 PolarHBondContact O-N 2.8Å |
| 953 | E | 88.3 | Confident | 85.7 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 175.1 | -72.3 | -70.6 | 150.7 | 0 | 0 | 111.5 | V917 I921 L949 K955 T956 L957 | V917-E953 HydrophobicContact CG1-CG 3.85Å; I921-E953 HydrophobicContact CD1-CB 3.72Å; I921-E953 HydrophobicContact CG1-CB 3.95Å; I921-E953 HydrophobicContact CG1-CG 4.44Å; L949-E953 WeakPolarHBondContact O-CB 3.41Å; L949-E953 WeakPolarHBondContact O-CG 3.48Å; L949-E953 PolarHBondContact O-N 3.43Å; E953-K955 PolarHBondContact O-N 3.18Å; E953-T956 PolarHBondContact O-N 3.45Å; E953-T956 PolarHBondContact O-OG1 3.08Å; E953-L957 PolarHBondContact O-N 2.82Å |
| 954 | S | 86.1 | Confident | 85.7 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -23.8 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 113.4 | L950 E952 T956 | L950-S954 WeakPolarHBondContact O-CB 3.05Å; L950-S954 PolarHBondContact O-N 2.8Å; E952-S954 VanDerWaalsContact C-N 3.26Å; E952-S954 PolarHBondContact O-N 3.25Å; S954-T956 VanDerWaalsContact C-N 3.26Å |
| 955 | K | 85 | Confident | 85.9 | Confident | 175 Ų | 175 | 66.8 Ų | 66.8 | 76% | 0.761 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -20.6 | 174.2 | -66.6 | 169.3 | -175.7 | 177.3 | 0 | 112.5 | K951 E952 E953 | K951-K955 WeakPolarHBondContact O-CG 3.26Å; K951-K955 PolarHBondContact O-N 3.05Å; E952-K955 WeakPolarHBondContact O-CB 3.28Å; E952-K955 PolarHBondContact O-N 2.8Å; E953-K955 PolarHBondContact O-N 3.18Å |
| 956 | T | 83.1 | Confident | 86 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -92.3 | -8 | 179.2 | 73.4 | 0 | 0 | 0 | 0 | 113 | E953 S954 G958 | E953-T956 PolarHBondContact O-N 3.45Å; E953-T956 PolarHBondContact O-OG1 3.08Å; S954-T956 VanDerWaalsContact C-N 3.26Å; T956-G958 PolarHBondContact O-N 3.13Å |
| 957 | L | 79.1 | Confident | 85.8 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | trans | -73.6 | 111.4 | 172.9 | -63.9 | 174.2 | 0 | 0 | 0 | 108.4 | I921 R925 E953 L963 | I921-L957 HydrophobicContact CD1-CD1 4.16Å; I921-L957 HydrophobicContact CG2-CD2 4.27Å; R925-L957 HydrophobicContact CG-CD2 4.07Å; E953-L957 PolarHBondContact O-N 2.82Å; L957-L963 HydrophobicContact CD1-CD1 4.19Å; L957-L963 HydrophobicContact CD1-CG 4.11Å | ||
| 958 | G | 70.1 | Confident | 85.5 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | trans | -72.5 | -106.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T956 C960 | T956-G958 PolarHBondContact O-N 3.13Å; G958-C960 PolarHBondContact O-N 3.4Å | ||
| 959 | D | 68.9 | Low | 85.1 | Confident | 181 Ų | 181 | 65 Ų | 65 | 97% | 0.968 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -75.8 | 24.9 | -171.9 | -60.1 | -33.5 | 0 | 0 | 0 | 115.5 | ||
| 960 | C | 70.5 | Confident | 83.9 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -102.1 | 160.1 | 176.9 | -62 | 0 | 0 | 0 | 0 | 111.1 | G958 | G958-C960 PolarHBondContact O-N 3.4Š|
| 961 | D | 72 | Confident | 82.5 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 34% | 0.342 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 149.3 | 169.1 | -73.5 | -30 | 0 | 0 | 0 | 111 | H924 G987 | H924-D961 PolarHBondContact CE1-O 2.78Å; H924-D961 PolarHBondContact NE2-O 2.82Å; D961-G987 WeakPolarHBondContact CA-O 3.31Å; D961-G987 WeakPolarHBondContact CB-O 3.11Å |
| 962 | K | 84.8 | Confident | 81.3 | Confident | 154 Ų | 154 | 62 Ų | 62 | 67% | 0.67 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 154.8 | 176.1 | -64.4 | -178.9 | -179.7 | 177.1 | 0 | 110.5 | G987 T988 R989 | K962-G987 PolarHBondContact N-O 3.41Å; K962-T988 HydrophobicContact CB-CG2 4.08Å; K962-T988 CarbonylContact O-C 3.53Å; K962-T988 WeakPolarHBondContact O-CA 3.22Å; K962-T988 VanDerWaalsContact O-CB 3.26Å; K962-T988 WeakPolarHBondContact O-CB 3.22Å; K962-R989 PolarHBondContact O-N 2.96Å |
| 963 | L | 90.5 | Very high | 79.9 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.3 | 172.9 | -65 | -176.5 | 0 | 0 | 0 | 110.8 | I921 H924 L950 L957 I965 R989 V991 | I921-L963 HydrophobicContact CD1-CD1 3.76Å; H924-L963 HydrophobicContact CB-CD2 4.17Å; H924-L963 VanDerWaalsContact CE1-CD2 3.5Å; H924-L963 WeakPolarHBondContact CE1-CD2 3.42Å; H924-L963 VanDerWaalsContact ND1-CD2 3.32Å; H924-L963 WeakPolarHBondContact ND1-CD2 3.5Å; L950-L963 HydrophobicContact CD2-CD1 4.36Å; L957-L963 HydrophobicContact CD1-CD1 4.19Å; L957-L963 HydrophobicContact CD1-CG 4.11Å; L963-I965 HydrophobicContact CB-CD1 4.22Å; L963-I965 HydrophobicContact CB-CG1 4.03Å; L963-R989 HydrophobicContact CD2-CB 4.34Å; L963-V991 HydrophobicContact CD2-CG2 3.81Å |
| 964 | W | 91.6 | Very high | 78.6 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 25% | 0.25 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 100.1 | 167.8 | -173.9 | 43.2 | 0 | 0 | 0 | 110 | V966 D982 S983 C984 P985 R989 K990 V991 | W964-V966 HydrophobicContact CD2-CG2 3.95Å; W964-V966 HydrophobicContact CE3-CG2 4.24Å; W964-V966 HydrophobicContact CG-CG2 4.48Å; W964-V966 HydrophobicContact CH2-CG2 4.13Å; W964-V966 HydrophobicContact CZ2-CG2 3.89Å; W964-V966 HydrophobicContact CZ3-CG2 4.35Å; W964-D982 HydrophobicContact CH2-CB 3.89Å; W964-S983 WeakPolarHBondContact CZ3-O 3.26Å; W964-C984 HydrophobicContact CE3-CB 3.97Å; W964-C984 HydrophobicContact CZ3-CB 4.49Å; W964-P985 HydrophobicContact CD2-CG 4.47Å; W964-R989 PolarHBondContact N-O 3.21Å; W964-K990 HydrophobicContact CE3-CB 4.01Å; W964-K990 HydrophobicContact CE3-CD 3.89Å; W964-K990 HydrophobicContact CE3-CG 3.91Å; W964-K990 HydrophobicContact CZ3-CD 3.7Å; W964-K990 HydrophobicContact CZ3-CG 4.25Å; W964-K990 CarbonylContact O-C 3.57Å; W964-K990 WeakPolarHBondContact O-CA 3.34Å; W964-V991 PolarHBondContact O-N 3.09Å |
| 965 | I | 93.4 | Very high | 77.5 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121 | -169.3 | -60 | 155.1 | 0 | 0 | 0 | 109.8 | C947 L950 K951 L963 V991 V993 | C947-I965 HydrophobicContact CB-CG2 3.8Å; C947-I965 VanDerWaalsContact SG-CG2 3.53Å; L950-I965 HydrophobicContact CB-CD1 3.48Å; L950-I965 VanDerWaalsContact CB-CD1 3.48Å; L950-I965 HydrophobicContact CB-CG1 4.11Å; L950-I965 HydrophobicContact CD1-CG2 4.42Å; K951-I965 HydrophobicContact CB-CD1 4.28Å; K951-I965 HydrophobicContact CG-CD1 3.56Å; L963-I965 HydrophobicContact CB-CD1 4.22Å; L963-I965 HydrophobicContact CB-CG1 4.03Å; I965-V991 WeakPolarHBondContact CA-O 3.41Å; I965-V991 HydrophobicContact CG1-CB 4.47Å; I965-V993 HydrophobicContact CG2-CG2 4.42Å |
| 966 | V | 92 | Very high | 76.8 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 110.5 | -175.7 | -171.9 | 0 | 0 | 0 | 0 | 110.3 | W964 K979 V980 K990 V991 V992 V993 | W964-V966 HydrophobicContact CD2-CG2 3.95Å; W964-V966 HydrophobicContact CE3-CG2 4.24Å; W964-V966 HydrophobicContact CG-CG2 4.48Å; W964-V966 HydrophobicContact CH2-CG2 4.13Å; W964-V966 HydrophobicContact CZ2-CG2 3.89Å; W964-V966 HydrophobicContact CZ3-CG2 4.35Å; V966-K979 HydrophobicContact CG1-CB 4.39Å; V966-V980 HydrophobicContact CG1-CB 4.39Å; V966-K990 HydrophobicContact CG2-CD 4.41Å; V966-K990 HydrophobicContact CG2-CG 4.24Å; V966-V991 PolarHBondContact N-O 3.28Å; V966-V992 VanDerWaalsContact O-CA 3.29Å; V966-V992 WeakPolarHBondContact O-CA 3.49Å; V966-V993 PolarHBondContact O-N 2.85Å |
| 967 | P | 91.6 | Very high | 76.2 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 151 | 175.6 | 25.7 | -25.8 | 0 | 0 | 0 | 112.1 | V943 Y969 M972 V993 | V943-P967 HydrophobicContact CG1-CB 3.62Å; P967-Y969 HydrophobicContact CB-CD1 4.4Å; P967-Y969 HydrophobicContact CB-CE1 4.19Å; P967-M972 HydrophobicContact CB-CE 3.78Å; P967-M972 HydrophobicContact CG-CE 3.71Å; P967-M972 VanDerWaalsContact O-CE 3.27Å; P967-M972 WeakPolarHBondContact O-CE 3.37Å; P967-V993 CarbonylContact C-O 3.58Å; P967-V993 WeakPolarHBondContact CA-O 3.31Å |
| 968 | I | 87.4 | Confident | 75.9 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 116.4 | 169 | -173.9 | 171.1 | 0 | 0 | 0 | 112.3 | V980 V992 V993 A994 T995 I997 | I968-V980 HydrophobicContact CD1-CB 4.39Å; I968-V980 HydrophobicContact CD1-CG1 4.08Å; I968-V992 HydrophobicContact CG2-CG1 3.81Å; I968-V993 PolarHBondContact N-O 3.06Å; I968-A994 HydrophobicContact CG2-CB 3.29Å; I968-A994 WeakPolarHBondContact O-CA 3.41Å; I968-T995 PolarHBondContact O-N 2.76Å; I968-T995 VanDerWaalsContact O-N 3.11Å; I968-I997 HydrophobicContact CD1-CG2 4.02Å; I968-I997 HydrophobicContact CG1-CG2 4.22Å |
| 969 | Y | 82.3 | Confident | 76.3 | Confident | 27 Ų | 27 | 60 Ų | 60 | 11% | 0.106 | 31% | 0.311 | C | S | . | . | trans | -151.7 | 161.8 | 179.6 | 55.8 | -96.5 | 0 | 0 | 0 | 111 | E940 V943 I944 P967 A971 M972 I997 | E940-Y969 HydrophobicContact CB-CD2 3.82Å; E940-Y969 HydrophobicContact CB-CE2 3.96Å; E940-Y969 HydrophobicContact CB-CG 4.13Å; E940-Y969 HydrophobicContact CG-CD2 3.9Å; E940-Y969 HydrophobicContact CG-CE1 4.14Å; E940-Y969 HydrophobicContact CG-CE2 3.49Å; E940-Y969 VanDerWaalsContact CG-CE2 3.49Å; E940-Y969 HydrophobicContact CG-CG 4.39Å; E940-Y969 VanDerWaalsContact OE1-CE2 3.23Å; E940-Y969 WeakPolarHBondContact OE1-CE2 3.43Å; E940-Y969 PolarHBondContact OE1-OH 2.91Å; V943-Y969 HydrophobicContact CB-CD1 4.28Å; V943-Y969 HydrophobicContact CG1-CD1 3.86Å; V943-Y969 HydrophobicContact CG1-CE1 4.33Å; I944-Y969 HydrophobicContact CG1-CE1 4.27Å; P967-Y969 HydrophobicContact CB-CD1 4.4Å; P967-Y969 HydrophobicContact CB-CE1 4.19Å; Y969-A971 VanDerWaalsContact C-N 3.33Å; Y969-A971 HydrophobicContact CD2-CB 4.17Å; Y969-A971 HydrophobicContact CE2-CB 4.19Å; Y969-A971 PolarHBondContact O-N 3.34Å; Y969-M972 HydrophobicContact CD1-CE 3.85Å; Y969-M972 HydrophobicContact CD2-CB 4.21Å; Y969-M972 HydrophobicContact CE1-CE 3.43Å; Y969-M972 VanDerWaalsContact CE1-CE 3.43Å; Y969-M972 HydrophobicContact CE2-CB 4.09Å; Y969-M972 WeakPolarHBondContact O-CB 3.48Å; Y969-M972 PolarHBondContact O-N 3.46Å; Y969-I997 VanDerWaalsContact C-CD1 3.45Å | ||
| 970 | G | 69 | Low | 76.9 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | M972 I997 | G970-M972 VanDerWaalsContact C-N 3.28Å; G970-M972 PolarHBondContact O-N 3.42Å; G970-I997 VanDerWaalsContact CA-CD1 3.42Å |
| 971 | A | 65.2 | Low | 77.4 | Confident | 31 Ų | 31 | 50 Ų | 50 | 26% | 0.256 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -7.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y969 | Y969-A971 VanDerWaalsContact C-N 3.33Å; Y969-A971 HydrophobicContact CD2-CB 4.17Å; Y969-A971 HydrophobicContact CE2-CB 4.19Å; Y969-A971 PolarHBondContact O-N 3.34Å |
| 972 | M | 66.1 | Low | 77.7 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.054 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -68.2 | 140.4 | -178.4 | -176.3 | 175.4 | -72.3 | 0 | 0 | 111.2 | P967 Y969 G970 E976 Q977 | P967-M972 HydrophobicContact CB-CE 3.78Å; P967-M972 HydrophobicContact CG-CE 3.71Å; P967-M972 VanDerWaalsContact O-CE 3.27Å; P967-M972 WeakPolarHBondContact O-CE 3.37Å; Y969-M972 HydrophobicContact CD1-CE 3.85Å; Y969-M972 HydrophobicContact CD2-CB 4.21Å; Y969-M972 HydrophobicContact CE1-CE 3.43Å; Y969-M972 VanDerWaalsContact CE1-CE 3.43Å; Y969-M972 HydrophobicContact CE2-CB 4.09Å; Y969-M972 WeakPolarHBondContact O-CB 3.48Å; Y969-M972 PolarHBondContact O-N 3.46Å; G970-M972 VanDerWaalsContact C-N 3.28Å; G970-M972 PolarHBondContact O-N 3.42Å; M972-E976 HydrophobicContact CG-CB 3.66Å; M972-E976 HydrophobicContact SD-CB 3.74Å; M972-Q977 HydrophobicContact CB-CG 3.86Å; M972-Q977 HydrophobicContact CG-CG 3.95Å; M972-Q977 PolarHBondContact O-NE2 2.9Å; M972-Q977 HydrophobicContact SD-CG 4.13Å |
| 973 | P | 60.7 | Low | 77.3 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | -59.5 | 140.3 | 174.8 | -21.6 | 32.2 | 0 | 0 | 0 | 112.1 | K975 E976 Q977 | P973-K975 VanDerWaalsContact C-N 3.31Å; P973-K975 PolarHBondContact O-N 2.81Å; P973-K975 VanDerWaalsContact O-N 3.17Å; P973-E976 WeakPolarHBondContact O-CA 3.36Å; P973-E976 WeakPolarHBondContact O-CB 3.43Å; P973-E976 PolarHBondContact O-N 3.4Å; P973-Q977 PolarHBondContact O-N 2.8Å; P973-Q977 VanDerWaalsContact O-N 3.08Å | ||
| 974 | F | 60.6 | Low | 76.6 | Confident | 93 Ų | 93 | 48.2 Ų | 48.2 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.3 | -43.2 | -175.8 | -179.3 | -112.2 | 0 | 0 | 0 | 114.1 | V766 E976 Q977 I978 | V766-F974 HydrophobicContact CG1-CE2 4.3Å; V766-F974 HydrophobicContact CG2-CD2 4.36Å; V766-F974 HydrophobicContact CG2-CE2 4.27Å; F974-E976 PolarHBondContact O-N 3.44Å; F974-E976 VanDerWaalsContact O-N 3.14Å; F974-Q977 PolarHBondContact O-N 3.42Å; F974-Q977 VanDerWaalsContact O-N 3.12Å; F974-I978 HydrophobicContact CD1-CD1 3.7Å; F974-I978 HydrophobicContact CE1-CD1 3.27Å; F974-I978 HydrophobicContact CE1-CG1 4.26Å; F974-I978 HydrophobicContact CE2-CD1 4.19Å; F974-I978 HydrophobicContact CE2-CG1 4.33Å; F974-I978 HydrophobicContact CG-CD1 4.34Å; F974-I978 HydrophobicContact CZ-CD1 3.55Å; F974-I978 HydrophobicContact CZ-CG1 4.1Å; F974-I978 PolarHBondContact O-N 2.92Å |
| 975 | K | 64.5 | Low | 76 | Confident | 143 Ų | 143 | 48.3 Ų | 48.3 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -57 | -29 | 175.7 | -169.5 | 177.4 | -177 | 173.2 | 0 | 113.3 | P973 | P973-K975 VanDerWaalsContact C-N 3.31Å; P973-K975 PolarHBondContact O-N 2.81Å; P973-K975 VanDerWaalsContact O-N 3.17Å |
| 976 | E | 69.2 | Low | 75.2 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -86.8 | -36.5 | 177 | -64.3 | -170.2 | 165.8 | 0 | 0 | 112 | M972 P973 F974 I978 K979 | M972-E976 HydrophobicContact CG-CB 3.66Å; M972-E976 HydrophobicContact SD-CB 3.74Å; P973-E976 WeakPolarHBondContact O-CA 3.36Å; P973-E976 WeakPolarHBondContact O-CB 3.43Å; P973-E976 PolarHBondContact O-N 3.4Å; F974-E976 PolarHBondContact O-N 3.44Å; F974-E976 VanDerWaalsContact O-N 3.14Å; E976-I978 PolarHBondContact O-N 3.39Å; E976-K979 VanDerWaalsContact O-CB 3.32Å; E976-K979 WeakPolarHBondContact O-CB 3.29Å; E976-K979 PolarHBondContact O-N 3.15Å |
| 977 | Q | 71.1 | Confident | 74.6 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 173.2 | -63.2 | -174.6 | 15.8 | 0 | 0 | 111.2 | M972 P973 F974 K979 V980 | M972-Q977 HydrophobicContact CB-CG 3.86Å; M972-Q977 HydrophobicContact CG-CG 3.95Å; M972-Q977 PolarHBondContact O-NE2 2.9Å; M972-Q977 HydrophobicContact SD-CG 4.13Å; P973-Q977 PolarHBondContact O-N 2.8Å; P973-Q977 VanDerWaalsContact O-N 3.08Å; F974-Q977 PolarHBondContact O-N 3.42Å; F974-Q977 VanDerWaalsContact O-N 3.12Å; Q977-K979 PolarHBondContact O-N 3.35Å; Q977-V980 WeakPolarHBondContact O-CB 3.14Å; Q977-V980 WeakPolarHBondContact O-CG1 3.34Å; Q977-V980 PolarHBondContact O-N 2.89Å |
| 978 | I | 72.8 | Confident | 74.3 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 20% | 0.195 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -58.5 | -31.3 | 177.1 | -79.5 | 164.1 | 0 | 0 | 0 | 113.1 | F692 F974 E976 V980 F981 | F692-I978 HydrophobicContact CE1-CB 4.33Å; F692-I978 HydrophobicContact CE1-CG1 4.03Å; F692-I978 HydrophobicContact CE1-CG2 3.57Å; F692-I978 HydrophobicContact CZ-CB 4.43Å; F692-I978 HydrophobicContact CZ-CD1 3.9Å; F692-I978 HydrophobicContact CZ-CG1 3.93Å; F692-I978 HydrophobicContact CZ-CG2 3.66Å; F974-I978 HydrophobicContact CD1-CD1 3.7Å; F974-I978 HydrophobicContact CE1-CD1 3.27Å; F974-I978 HydrophobicContact CE1-CG1 4.26Å; F974-I978 HydrophobicContact CE2-CD1 4.19Å; F974-I978 HydrophobicContact CE2-CG1 4.33Å; F974-I978 HydrophobicContact CG-CD1 4.34Å; F974-I978 HydrophobicContact CZ-CD1 3.55Å; F974-I978 HydrophobicContact CZ-CG1 4.1Å; F974-I978 PolarHBondContact O-N 2.92Å; E976-I978 PolarHBondContact O-N 3.39Å; I978-V980 PolarHBondContact O-N 2.99Å; I978-F981 WeakPolarHBondContact O-CB 3.12Å; I978-F981 VanDerWaalsContact O-CD2 3.27Å; I978-F981 WeakPolarHBondContact O-CD2 3.46Å; I978-F981 PolarHBondContact O-N 3.34Å |
| 979 | K | 77.7 | Confident | 74.5 | Confident | 101 Ų | 101 | 51 Ų | 51 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -59.3 | -20.8 | -178.1 | -65.7 | -179.4 | 175.8 | 177.2 | 0 | 113.5 | V966 E976 Q977 F981 D982 | V966-K979 HydrophobicContact CG1-CB 4.39Å; E976-K979 VanDerWaalsContact O-CB 3.32Å; E976-K979 WeakPolarHBondContact O-CB 3.29Å; E976-K979 PolarHBondContact O-N 3.15Å; Q977-K979 PolarHBondContact O-N 3.35Å; K979-F981 PolarHBondContact O-N 3.47Å; K979-D982 WeakPolarHBondContact CA-OD2 3.38Å; K979-D982 PolarHBondContact O-N 3.1Å |
| 980 | V | 82.5 | Confident | 75 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -58.7 | -28.9 | 175.4 | 80.4 | 0 | 0 | 0 | 0 | 112.3 | V966 I968 Q977 I978 K990 V992 V1004 | V966-V980 HydrophobicContact CG1-CB 4.39Å; I968-V980 HydrophobicContact CD1-CB 4.39Å; I968-V980 HydrophobicContact CD1-CG1 4.08Å; Q977-V980 WeakPolarHBondContact O-CB 3.14Å; Q977-V980 WeakPolarHBondContact O-CG1 3.34Å; Q977-V980 PolarHBondContact O-N 2.89Å; I978-V980 PolarHBondContact O-N 2.99Å; V980-K990 PolarHBondContact O-NZ 3.12Å; V980-V992 HydrophobicContact CG2-CB 4.21Å; V980-V992 HydrophobicContact CG2-CG1 3.43Å; V980-V992 VanDerWaalsContact CG2-CG1 3.43Å; V980-V992 HydrophobicContact CG2-CG2 3.67Å; V980-V1004 HydrophobicContact CG1-CG2 4.19Å; V980-V1004 HydrophobicContact CG2-CB 4.5Å; V980-V1004 HydrophobicContact CG2-CG1 3.96Å; V980-V1004 HydrophobicContact CG2-CG2 3.68Å; V980-V1004 WeakPolarHBondContact O-CG1 3.34Å |
| 981 | F | 79.5 | Confident | 76.2 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -85.2 | -14.2 | -178.1 | -58.3 | -72.5 | 0 | 0 | 0 | 113.4 | F692 Y694 I978 K979 V1002 T1003 | F692-F981 HydrophobicContact CD1-CB 4.45Å; F692-F981 HydrophobicContact CD1-CD2 4.44Å; F692-F981 HydrophobicContact CE1-CD2 4.23Å; Y694-F981 HydrophobicContact CE1-CD1 4.18Å; Y694-F981 AromaticContact CE1-CE1 3.94Å; Y694-F981 HydrophobicContact CE1-CE1 3.94Å; I978-F981 WeakPolarHBondContact O-CB 3.12Å; I978-F981 VanDerWaalsContact O-CD2 3.27Å; I978-F981 WeakPolarHBondContact O-CD2 3.46Å; I978-F981 PolarHBondContact O-N 3.34Å; K979-F981 PolarHBondContact O-N 3.47Å; F981-V1002 HydrophobicContact CE1-CG1 3.47Å; F981-V1002 VanDerWaalsContact CE1-CG1 3.47Å; F981-V1002 HydrophobicContact CE2-CG1 4.43Å; F981-V1002 HydrophobicContact CZ-CB 4.48Å; F981-V1002 HydrophobicContact CZ-CG1 3.26Å; F981-T1003 WeakPolarHBondContact CE1-O 3.32Å |
| 982 | D | 78.6 | Confident | 77.6 | Confident | 75 Ų | 75 | 46 Ų | 46 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -68.2 | 152.2 | 179.6 | -38.6 | -36.9 | 0 | 0 | 0 | 110.4 | W964 K979 K990 | W964-D982 HydrophobicContact CH2-CB 3.89Å; K979-D982 WeakPolarHBondContact CA-OD2 3.38Å; K979-D982 PolarHBondContact O-N 3.1Å; D982-K990 PolarHBondContact O-NZ 3.25Å |
| 983 | S | 76.3 | Confident | 79.1 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 58% | 0.58 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 143.7 | 173.8 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | W964 | W964-S983 WeakPolarHBondContact CZ3-O 3.26Š|
| 984 | C | 77.4 | Confident | 80.6 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 137.5 | 177.2 | 62 | 0 | 0 | 0 | 0 | 111 | W964 A986 K990 | W964-C984 HydrophobicContact CE3-CB 3.97Å; W964-C984 HydrophobicContact CZ3-CB 4.49Å; C984-A986 PolarHBondContact O-N 3.11Å; C984-K990 HydrophobicContact CB-CB 3.99Å |
| 985 | P | 78.6 | Confident | 82 | Confident | 68 Ų | 68 | 39.2 Ų | 39.2 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -53.5 | 141.9 | 168.4 | -24.4 | 32.9 | 0 | 0 | 0 | 110.8 | W964 T988 | W964-P985 HydrophobicContact CD2-CG 4.47Å; P985-T988 HydrophobicContact CB-CG2 4.17Å; P985-T988 WeakPolarHBondContact CD-OG1 3.49Å; P985-T988 WeakPolarHBondContact O-CB 3.36Å; P985-T988 PolarHBondContact O-N 3.08Å; P985-T988 VanDerWaalsContact O-N 3.09Å; P985-T988 PolarHBondContact O-OG1 2.9Å |
| 986 | A | 76.5 | Confident | 83.1 | Confident | 50 Ų | 50 | 35 Ų | 35 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 141.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R537 C984 | R537-A986 VanDerWaalsContact NH2-CB 3.25Å; C984-A986 PolarHBondContact O-N 3.11Å |
| 987 | G | 78.3 | Confident | 83.7 | Confident | 46 Ų | 46 | 32.5 Ų | 32.5 | 47% | 0.474 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 16.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D961 K962 | D961-G987 WeakPolarHBondContact CA-O 3.31Å; D961-G987 WeakPolarHBondContact CB-O 3.11Å; K962-G987 PolarHBondContact N-O 3.41Å |
| 988 | T | 86 | Confident | 84.2 | Confident | 26 Ų | 26 | 31.5 Ų | 31.5 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.4 | 173 | 76.8 | 0 | 0 | 0 | 0 | 111.5 | K962 P985 | K962-T988 HydrophobicContact CB-CG2 4.08Å; K962-T988 CarbonylContact O-C 3.53Å; K962-T988 WeakPolarHBondContact O-CA 3.22Å; K962-T988 VanDerWaalsContact O-CB 3.26Å; K962-T988 WeakPolarHBondContact O-CB 3.22Å; P985-T988 HydrophobicContact CB-CG2 4.17Å; P985-T988 WeakPolarHBondContact CD-OG1 3.49Å; P985-T988 WeakPolarHBondContact O-CB 3.36Å; P985-T988 PolarHBondContact O-N 3.08Å; P985-T988 VanDerWaalsContact O-N 3.09Å; P985-T988 PolarHBondContact O-OG1 2.9Å |
| 989 | R | 90.6 | Very high | 84.5 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.3 | 167.4 | -174.1 | -179.1 | -63.2 | -148 | 5 | 108.7 | I923 H924 E927 P928 K962 L963 W964 | I923-R989 PolarHBondContact O-NH1 3.31Å; H924-R989 WeakPolarHBondContact ND1-CD 3.34Å; H924-R989 PolarHBondContact ND1-NE 3.23Å; E927-R989 PolarHBondContact O-NH2 3.34Å; P928-R989 PolarHBondContact O-NH2 2.64Å; K962-R989 PolarHBondContact O-N 2.96Å; L963-R989 HydrophobicContact CD2-CB 4.34Å; W964-R989 PolarHBondContact N-O 3.21Å |
| 990 | K | 93.6 | Very high | 84 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133 | 175.9 | -179.3 | 174.6 | 58.8 | -179.8 | 0 | 110 | D932 I933 W964 V966 V980 D982 C984 V992 P1005 | D932-K990 WeakPolarHBondContact CA-O 3.35Å; D932-K990 HydrophobicContact CB-CB 4.13Å; D932-K990 WeakPolarHBondContact CB-O 3.44Å; D932-K990 WeakPolarHBondContact OD1-CB 3.37Å; D932-K990 PolarHBondContact OD1-N 2.92Å; D932-K990 WeakPolarHBondContact OD2-CE 3.25Å; D932-K990 IonicContact OD2-NZ 3.82Å; I933-K990 PolarHBondContact N-O 3.28Å; W964-K990 HydrophobicContact CE3-CB 4.01Å; W964-K990 HydrophobicContact CE3-CD 3.89Å; W964-K990 HydrophobicContact CE3-CG 3.91Å; W964-K990 HydrophobicContact CZ3-CD 3.7Å; W964-K990 HydrophobicContact CZ3-CG 4.25Å; W964-K990 CarbonylContact O-C 3.57Å; W964-K990 WeakPolarHBondContact O-CA 3.34Å; V966-K990 HydrophobicContact CG2-CD 4.41Å; V966-K990 HydrophobicContact CG2-CG 4.24Å; V980-K990 PolarHBondContact O-NZ 3.12Å; D982-K990 PolarHBondContact O-NZ 3.25Å; C984-K990 HydrophobicContact CB-CB 3.99Å; K990-V992 HydrophobicContact CD-CG2 3.96Å; K990-V992 HydrophobicContact CG-CG2 3.88Å; K990-P1005 PolarHBondContact NZ-O 2.88Å |
| 991 | V | 95.2 | Very high | 83 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 104.9 | 173 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | I933 I935 L950 L963 W964 I965 V966 V993 | I933-V991 HydrophobicContact CB-CG1 4.24Å; I933-V991 HydrophobicContact CB-CG2 4.25Å; I933-V991 HydrophobicContact CD1-CG2 4.17Å; I933-V991 HydrophobicContact CG1-CG2 4.48Å; I933-V991 HydrophobicContact CG2-CG1 4.4Å; I933-V991 CarbonylContact O-C 3.55Å; I933-V991 WeakPolarHBondContact O-CA 3.47Å; I935-V991 HydrophobicContact CD1-CG1 3.82Å; I935-V991 HydrophobicContact CG1-CG1 4.19Å; L950-V991 HydrophobicContact CD1-CG1 3.85Å; L963-V991 HydrophobicContact CD2-CG2 3.81Å; W964-V991 PolarHBondContact O-N 3.09Å; I965-V991 WeakPolarHBondContact CA-O 3.41Å; I965-V991 HydrophobicContact CG1-CB 4.47Å; V966-V991 PolarHBondContact N-O 3.28Å; V991-V993 HydrophobicContact CG1-CG2 4.31Å |
| 992 | V | 94.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 109 | I933 L934 I935 V966 I968 V980 K990 A994 V1004 I1007 | I933-V992 PolarHBondContact O-N 3.24Å; L934-V992 CarbonylContact C-O 3.58Å; L934-V992 WeakPolarHBondContact CA-O 3.46Å; L934-V992 HydrophobicContact CD1-CB 3.87Å; L934-V992 HydrophobicContact CD1-CG1 3.68Å; I935-V992 PolarHBondContact N-O 3.02Å; V966-V992 VanDerWaalsContact O-CA 3.29Å; V966-V992 WeakPolarHBondContact O-CA 3.49Å; I968-V992 HydrophobicContact CG2-CG1 3.81Å; V980-V992 HydrophobicContact CG2-CB 4.21Å; V980-V992 HydrophobicContact CG2-CG1 3.43Å; V980-V992 VanDerWaalsContact CG2-CG1 3.43Å; V980-V992 HydrophobicContact CG2-CG2 3.67Å; K990-V992 HydrophobicContact CD-CG2 3.96Å; K990-V992 HydrophobicContact CG-CG2 3.88Å; V992-A994 HydrophobicContact CG1-CB 4.37Å; V992-V1004 HydrophobicContact CG2-CG1 4.18Å; V992-I1007 HydrophobicContact CG2-CD1 4.32Å |
| 993 | V | 96 | Very high | 81.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 107.6 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | I935 L937 V943 C946 L950 I965 V966 P967 I968 V991 | I935-V993 HydrophobicContact CB-CG1 4.4Å; I935-V993 HydrophobicContact CD1-CG2 4.24Å; L937-V993 HydrophobicContact CD1-CG1 3.6Å; L937-V993 HydrophobicContact CG-CG1 4.32Å; V943-V993 HydrophobicContact CB-CG1 4.22Å; V943-V993 HydrophobicContact CG1-CB 4.11Å; V943-V993 HydrophobicContact CG1-CG1 3.9Å; V943-V993 WeakPolarHBondContact CG1-O 3.21Å; V943-V993 HydrophobicContact CG2-CG1 4.16Å; C946-V993 HydrophobicContact CB-CG1 4.06Å; L950-V993 HydrophobicContact CD1-CG2 3.9Å; I965-V993 HydrophobicContact CG2-CG2 4.42Å; V966-V993 PolarHBondContact O-N 2.85Å; P967-V993 CarbonylContact C-O 3.58Å; P967-V993 WeakPolarHBondContact CA-O 3.31Å; I968-V993 PolarHBondContact N-O 3.06Å; V991-V993 HydrophobicContact CG1-CG2 4.31Å |
| 994 | A | 93.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L934 I935 F936 L937 I968 V992 A998 | L934-A994 HydrophobicContact CD1-CB 3.74Å; I935-A994 PolarHBondContact O-N 3.32Å; F936-A994 CarbonylContact C-O 3.55Å; F936-A994 WeakPolarHBondContact CA-O 3.41Å; L937-A994 PolarHBondContact N-O 3.06Å; I968-A994 HydrophobicContact CG2-CB 3.29Å; I968-A994 WeakPolarHBondContact O-CA 3.41Å; V992-A994 HydrophobicContact CG1-CB 4.37Å; A994-A998 HydrophobicContact CB-CB 3.61Å |
| 995 | T | 90.5 | Very high | 81.8 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 6% | 0.055 | 14% | 0.139 | C | C | . | . | trans | -80.3 | -171.9 | 157.5 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | L937 V943 I968 I997 A998 | L937-T995 WeakPolarHBondContact O-CA 3.39Å; V943-T995 HydrophobicContact CG2-CG2 4.2Å; I968-T995 PolarHBondContact O-N 2.76Å; I968-T995 VanDerWaalsContact O-N 3.11Å; T995-I997 PolarHBondContact O-N 2.85Å; T995-I997 WeakPolarHBondContact OG1-CG1 3.49Å; T995-A998 PolarHBondContact O-N 3.35Å | ||
| 996 | N | 87.5 | Confident | 82 | Confident | 54 Ų | 54 | 18.5 Ų | 18.5 | 29% | 0.289 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -59.3 | -0.1 | 171.4 | 68.1 | -42.5 | 0 | 0 | 0 | 114.2 | R764 A998 E999 V1016 | R764-N996 PolarHBondContact NH2-O 2.81Å; N996-A998 VanDerWaalsContact C-N 3.26Å; N996-A998 PolarHBondContact O-N 3.26Å; N996-E999 HydrophobicContact CB-CB 4.25Å; N996-E999 WeakPolarHBondContact CB-OE2 3.17Å; N996-E999 WeakPolarHBondContact O-CB 3.41Å; N996-E999 PolarHBondContact O-N 3.01Å; N996-E999 VanDerWaalsContact O-N 3.09Å; N996-V1016 HydrophobicContact CB-CG2 3.93Å |
| 997 | I | 81.2 | Confident | 82.6 | Confident | 33 Ų | 33 | 16.3 Ų | 16.3 | 17% | 0.169 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -57.7 | -38.3 | 169.1 | -66.3 | 177 | 0 | 0 | 0 | 111.8 | R764 I968 Y969 G970 T995 E999 A1000 | R764-I997 VanDerWaalsContact NH1-CA 3.33Å; R764-I997 PolarHBondContact NH1-O 3.01Å; I968-I997 HydrophobicContact CD1-CG2 4.02Å; I968-I997 HydrophobicContact CG1-CG2 4.22Å; Y969-I997 VanDerWaalsContact C-CD1 3.45Å; G970-I997 VanDerWaalsContact CA-CD1 3.42Å; T995-I997 PolarHBondContact O-N 2.85Å; T995-I997 WeakPolarHBondContact OG1-CG1 3.49Å; I997-E999 VanDerWaalsContact C-N 3.25Å; I997-E999 PolarHBondContact O-N 3.25Å; I997-A1000 VanDerWaalsContact O-O 3.13Å |
| 998 | A | 81.9 | Confident | 83.3 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -80.9 | -4.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L934 F936 A994 T995 N996 R1046 | L934-A998 HydrophobicContact CD1-CB 3.92Å; L934-A998 HydrophobicContact CD2-CB 4.07Å; F936-A998 HydrophobicContact CE1-CB 3.86Å; F936-A998 HydrophobicContact CZ-CB 4.07Å; A994-A998 HydrophobicContact CB-CB 3.61Å; T995-A998 PolarHBondContact O-N 3.35Å; N996-A998 VanDerWaalsContact C-N 3.26Å; N996-A998 PolarHBondContact O-N 3.26Å; A998-R1046 WeakPolarHBondContact O-CD 3.36Å; A998-R1046 PolarHBondContact O-NE 2.81Å; A998-R1046 VanDerWaalsContact O-NE 3.09Å; A998-R1046 PolarHBondContact O-NH1 3.18Å; A998-R1046 VanDerWaalsContact O-NH1 3.13Å |
| 999 | E | 79.3 | Confident | 83.8 | Confident | 23 Ų | 23 | 13.8 Ų | 13.8 | 11% | 0.107 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -32.8 | -174.1 | -175.2 | 176.1 | 144.6 | 0 | 0 | 113.4 | F936 N996 I997 S1039 Q1042 R1043 R1046 | F936-E999 HydrophobicContact CE1-CB 3.97Å; F936-E999 HydrophobicContact CZ-CB 4.43Å; N996-E999 HydrophobicContact CB-CB 4.25Å; N996-E999 WeakPolarHBondContact CB-OE2 3.17Å; N996-E999 WeakPolarHBondContact O-CB 3.41Å; N996-E999 PolarHBondContact O-N 3.01Å; N996-E999 VanDerWaalsContact O-N 3.09Å; I997-E999 VanDerWaalsContact C-N 3.25Å; I997-E999 PolarHBondContact O-N 3.25Å; E999-S1039 WeakPolarHBondContact OE1-CA 3.36Å; E999-S1039 WeakPolarHBondContact OE1-CB 3.39Å; E999-S1039 PolarHBondContact OE1-OG 3.43Å; E999-S1039 PolarHBondContact OE2-OG 2.9Å; E999-Q1042 HydrophobicContact CG-CB 4.34Å; E999-R1043 HydrophobicContact CG-CG 3.95Å; E999-R1043 IonicContact OE2-CZ 3.67Å; E999-R1043 IonicContact OE2-NE 2.81Å; E999-R1043 PolarHBondContact OE2-NE 2.78Å; E999-R1043 IonicContact OE2-NH2 3.58Å; E999-R1043 PolarHBondContact OE2-NH2 3.25Å; E999-R1046 PolarHBondContact O-NE 3.4Å; E999-R1046 PolarHBondContact O-NH2 3.31Å |
| 1000 | A | 66.5 | Low | 84.1 | Confident | 3 Ų | 3 | 13.3 Ų | 13.3 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -140.3 | 160.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | R764 E835 I997 V1002 | R764-A1000 PolarHBondContact NH1-O 2.78Å; E835-A1000 WeakPolarHBondContact OE1-CB 3.48Å; I997-A1000 VanDerWaalsContact O-O 3.13Å; A1000-V1002 PolarHBondContact O-N 3.43Å |
| 1001 | S | 61.7 | Low | 84.2 | Confident | 29 Ų | 29 | 13.3 Ų | 13.3 | 20% | 0.203 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 60.2 | -18.3 | 173.5 | -16.9 | 0 | 0 | 0 | 0 | 120.2 | R764 E832 | R764-S1001 WeakPolarHBondContact CD-OG 3.39Å; E832-S1001 PolarHBondContact OE2-N 2.63Å |
| 1002 | V | 64.4 | Low | 84.3 | Confident | 11 Ų | 11 | 13.4 Ų | 13.4 | 7% | 0.067 | 8% | 0.081 | C | C | . | . | trans | -123.3 | 120.2 | -178.6 | 170.7 | 0 | 0 | 0 | 0 | 112 | V766 F981 A1000 V1004 R1046 | V766-V1002 HydrophobicContact CG1-CG2 4.38Å; F981-V1002 HydrophobicContact CE1-CG1 3.47Å; F981-V1002 VanDerWaalsContact CE1-CG1 3.47Å; F981-V1002 HydrophobicContact CE2-CG1 4.43Å; F981-V1002 HydrophobicContact CZ-CB 4.48Å; F981-V1002 HydrophobicContact CZ-CG1 3.26Å; A1000-V1002 PolarHBondContact O-N 3.43Å; V1002-V1004 HydrophobicContact CG1-CG2 4.33Å; V1002-R1046 PolarHBondContact O-NH1 2.9Å | ||
| 1003 | T | 69.1 | Low | 84.3 | Confident | 47 Ų | 47 | 13.5 Ų | 13.5 | 29% | 0.288 | 8% | 0.082 | S | C | . | . | trans | -97.4 | 106.7 | 174.1 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | F981 P1005 R1049 | F981-T1003 WeakPolarHBondContact CE1-O 3.32Å; T1003-P1005 WeakPolarHBondContact O-CD 3.08Å; T1003-R1049 VanDerWaalsContact CB-NH1 3.35Å; T1003-R1049 PolarHBondContact OG1-NH1 3.46Å | ||
| 1004 | V | 77.5 | Confident | 84.2 | Confident | 13 Ų | 13 | 13.8 Ų | 13.8 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | trans | -78.6 | 119.5 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | V980 V992 V1002 I1007 | V980-V1004 HydrophobicContact CG1-CG2 4.19Å; V980-V1004 HydrophobicContact CG2-CB 4.5Å; V980-V1004 HydrophobicContact CG2-CG1 3.96Å; V980-V1004 HydrophobicContact CG2-CG2 3.68Å; V980-V1004 WeakPolarHBondContact O-CG1 3.34Å; V992-V1004 HydrophobicContact CG2-CG1 4.18Å; V1002-V1004 HydrophobicContact CG1-CG2 4.33Å; V1004-I1007 HydrophobicContact CB-CD1 4.36Å; V1004-I1007 HydrophobicContact CB-CG1 3.85Å; V1004-I1007 HydrophobicContact CG1-CD1 3.93Å; V1004-I1007 HydrophobicContact CG1-CG1 3.9Å | ||
| 1005 | P | 74.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 17.1 Ų | 17.1 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 144.2 | 177.3 | 28.7 | -33.7 | 0 | 0 | 0 | 110.6 | K990 T1003 | K990-P1005 PolarHBondContact NZ-O 2.88Å; T1003-P1005 WeakPolarHBondContact O-CD 3.08Å |
| 1006 | G | 83.2 | Confident | 84.3 | Confident | 19 Ų | 19 | 17 Ų | 17 | 20% | 0.196 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -13.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | D932 V1008 | D932-G1006 WeakPolarHBondContact CB-O 3.49Å; D932-G1006 PolarHBondContact N-O 3.36Å; D932-G1006 WeakPolarHBondContact OD2-CA 3.38Å; G1006-V1008 PolarHBondContact O-N 3.21Å |
| 1007 | I | 90.2 | Very high | 84.3 | Confident | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 122.8 | -177.4 | -56.2 | -54.2 | 0 | 0 | 0 | 111.2 | D932 L934 V992 V1004 V1010 | D932-I1007 HydrophobicContact CB-CD1 3.78Å; L934-I1007 HydrophobicContact CB-CD1 3.83Å; L934-I1007 HydrophobicContact CB-CG1 4.15Å; L934-I1007 HydrophobicContact CB-CG2 3.68Å; L934-I1007 HydrophobicContact CD2-CG2 4.42Å; V992-I1007 HydrophobicContact CG2-CD1 4.32Å; V1004-I1007 HydrophobicContact CB-CD1 4.36Å; V1004-I1007 HydrophobicContact CB-CG1 3.85Å; V1004-I1007 HydrophobicContact CG1-CD1 3.93Å; V1004-I1007 HydrophobicContact CG1-CG1 3.9Å; I1007-V1010 HydrophobicContact CG2-CG2 4.09Å |
| 1008 | V | 92.7 | Very high | 84.4 | Confident | 7 Ų | 7 | 16.8 Ų | 16.8 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | -22.6 | 176.3 | 177 | 0 | 0 | 0 | 0 | 110.8 | D932 G1006 A1047 R1051 G1053 K1054 | D932-V1008 PolarHBondContact O-N 3Å; G1006-V1008 PolarHBondContact O-N 3.21Å; V1008-A1047 WeakPolarHBondContact O-CB 3.31Å; V1008-R1051 HydrophobicContact CG2-CG 3.97Å; V1008-G1053 CarbonylContact O-C 3.57Å; V1008-G1053 VanDerWaalsContact O-CA 3.23Å; V1008-G1053 WeakPolarHBondContact O-CA 3.14Å; V1008-K1054 PolarHBondContact O-N 2.83Å |
| 1009 | Y | 95.7 | Very high | 84.3 | Confident | 11 Ų | 11 | 22.5 Ų | 22.5 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128 | 179.5 | -50.7 | -75 | 0 | 0 | 0 | 110 | I923 E927 G931 D932 I933 L934 K1054 Y1056 | I923-Y1009 HydrophobicContact CG2-CD1 3.9Å; I923-Y1009 HydrophobicContact CG2-CD2 3.78Å; I923-Y1009 HydrophobicContact CG2-CE1 4.38Å; I923-Y1009 HydrophobicContact CG2-CE2 4.26Å; I923-Y1009 HydrophobicContact CG2-CG 3.59Å; E927-Y1009 HydrophobicContact CB-CE1 3.86Å; E927-Y1009 HydrophobicContact CB-CE2 4.41Å; E927-Y1009 WeakPolarHBondContact CB-OH 3.27Å; E927-Y1009 HydrophobicContact CG-CD1 4.35Å; E927-Y1009 HydrophobicContact CG-CE1 3.69Å; G931-Y1009 WeakPolarHBondContact O-CD2 3.42Å; G931-Y1009 WeakPolarHBondContact O-CE2 3.35Å; D932-Y1009 PolarHBondContact O-N 3.43Å; D932-Y1009 VanDerWaalsContact O-N 3.09Å; I933-Y1009 CarbonylContact C-O 3.55Å; I933-Y1009 WeakPolarHBondContact CA-O 3.34Å; I933-Y1009 HydrophobicContact CG1-CD2 4.2Å; L934-Y1009 PolarHBondContact N-O 2.83Å; Y1009-K1054 CarbonylContact C-O 3.51Å; Y1009-K1054 WeakPolarHBondContact CA-O 3.49Å; Y1009-K1054 HydrophobicContact CD1-CB 4.17Å; Y1009-K1054 HydrophobicContact CE1-CD 4.31Å; Y1009-Y1056 HydrophobicContact CD1-CE2 4.45Å |
| 1010 | V | 96.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.5 | 174.1 | 169.7 | 0 | 0 | 0 | 0 | 109.3 | L934 F936 I1007 R1043 R1046 A1047 K1054 A1055 Y1056 | L934-V1010 HydrophobicContact CB-CG2 4.35Å; L934-V1010 CarbonylContact O-C 3.54Å; L934-V1010 WeakPolarHBondContact O-CA 3.18Å; F936-V1010 HydrophobicContact CD2-CG1 4.02Å; F936-V1010 HydrophobicContact CE2-CG1 4.05Å; I1007-V1010 HydrophobicContact CG2-CG2 4.09Å; V1010-R1043 WeakPolarHBondContact CG2-O 3.35Å; V1010-R1046 HydrophobicContact CG2-CB 3.96Å; V1010-A1047 HydrophobicContact CB-CB 4.38Å; V1010-A1047 HydrophobicContact CG2-CB 3.8Å; V1010-K1054 PolarHBondContact N-O 3.49Å; V1010-A1055 HydrophobicContact CB-CB 4.36Å; V1010-A1055 CarbonylContact O-C 3.45Å; V1010-A1055 WeakPolarHBondContact O-CA 3.37Å; V1010-Y1056 PolarHBondContact O-N 3.24Å |
| 1011 | I | 97.4 | Very high | 85 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.6 | 168.3 | -62.5 | 166.7 | 0 | 0 | 0 | 107.3 | A919 A920 I923 I933 L934 I935 F936 Y1056 L1058 | A919-I1011 HydrophobicContact CB-CD1 3.77Å; A919-I1011 HydrophobicContact CB-CG1 4.22Å; A919-I1011 HydrophobicContact CB-CG2 4.39Å; A920-I1011 HydrophobicContact CB-CD1 3.75Å; I923-I1011 HydrophobicContact CD1-CD1 3.85Å; I923-I1011 HydrophobicContact CD1-CG1 3.87Å; I933-I1011 HydrophobicContact CG2-CD1 3.83Å; I933-I1011 HydrophobicContact CG2-CG1 4.33Å; L934-I1011 PolarHBondContact O-N 3Å; I935-I1011 WeakPolarHBondContact CA-O 3.19Å; I935-I1011 HydrophobicContact CD1-CD1 4.22Å; I935-I1011 HydrophobicContact CG1-CB 4.29Å; I935-I1011 HydrophobicContact CG1-CD1 4.06Å; I935-I1011 HydrophobicContact CG2-CB 4.32Å; I935-I1011 HydrophobicContact CG2-CG2 4.32Å; F936-I1011 PolarHBondContact N-O 3.17Å; I1011-Y1056 WeakPolarHBondContact CA-O 3.23Å; I1011-L1058 HydrophobicContact CG2-CD1 3.77Å; I1011-L1058 HydrophobicContact CG2-CD2 4.26Å; I1011-L1058 HydrophobicContact CG2-CG 3.98Å |
| 1012 | D | 96.4 | Very high | 85.5 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.5 | -177.5 | 178.5 | 27.2 | 0 | 0 | 0 | 110.7 | G1014 I1035 R1043 Y1056 R1057 L1058 Y1059 | D1012-G1014 PolarHBondContact O-N 2.92Å; D1012-G1014 PolarHBondContact OD1-N 3.02Å; D1012-I1035 VanDerWaalsContact OD2-CD1 3.23Å; D1012-I1035 WeakPolarHBondContact OD2-CD1 3.43Å; D1012-R1043 WeakPolarHBondContact OD1-CD 3.49Å; D1012-R1043 IonicContact OD1-CZ 2.75Å; D1012-R1043 IonicContact OD1-NH1 3.26Å; D1012-R1043 PolarHBondContact OD1-NH1 3.36Å; D1012-Y1056 PolarHBondContact N-O 2.85Å; D1012-R1057 HydrophobicContact CB-CG 4.44Å; D1012-L1058 PolarHBondContact O-N 2.93Å; D1012-Y1059 PolarHBondContact OD2-OH 2.87Å |
| 1013 | C | 94.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | trans | -70.5 | -18.4 | 176.1 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | Y912 F936 L937 F1015 | Y912-C1013 HydrophobicContact CD2-CB 3.87Å; Y912-C1013 HydrophobicContact CG-CB 3.99Å; F936-C1013 WeakPolarHBondContact O-CB 3.43Å; F936-C1013 PolarHBondContact O-SG 2.96Å; L937-C1013 HydrophobicContact CD2-CB 4.31Å; C1013-F1015 VanDerWaalsContact O-CD2 3.25Å; C1013-F1015 WeakPolarHBondContact O-CD2 3.4Å; C1013-F1015 PolarHBondContact SG-N 3.49Å | ||
| 1014 | G | 93.5 | Very high | 85.7 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 84.6 | 5.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1012 P1034 I1035 | D1012-G1014 PolarHBondContact O-N 2.92Å; D1012-G1014 PolarHBondContact OD1-N 3.02Å; G1014-P1034 WeakPolarHBondContact O-CA 3.17Å; G1014-I1035 WeakPolarHBondContact O-CG1 3.43Å; G1014-I1035 PolarHBondContact O-N 3.27Å |
| 1015 | F | 94 | Very high | 85.2 | Confident | 70 Ų | 70 | 34 Ų | 34 | 31% | 0.307 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 160.3 | -178.4 | -62.4 | -83.3 | 0 | 0 | 0 | 112.8 | Y912 T938 C1013 V1032 V1033 P1034 R1043 | Y912-F1015 AromaticContact CD1-CD2 3.92Å; Y912-F1015 HydrophobicContact CD1-CD2 3.92Å; Y912-F1015 HydrophobicContact CD1-CE2 4Å; Y912-F1015 HydrophobicContact CE1-CD2 4.01Å; Y912-F1015 HydrophobicContact CE1-CE2 4.29Å; T938-F1015 HydrophobicContact CG2-CB 3.54Å; C1013-F1015 VanDerWaalsContact O-CD2 3.25Å; C1013-F1015 WeakPolarHBondContact O-CD2 3.4Å; C1013-F1015 PolarHBondContact SG-N 3.49Å; F1015-V1032 HydrophobicContact CB-CG1 3.9Å; F1015-V1032 HydrophobicContact CD1-CG1 4.07Å; F1015-V1032 HydrophobicContact CG-CG1 4.24Å; F1015-V1033 WeakPolarHBondContact CA-O 3.24Å; F1015-P1034 HydrophobicContact CD1-CG 4.49Å; F1015-P1034 HydrophobicContact CE1-CG 4.19Å; F1015-R1043 PolarHBondContact O-NH1 3.4Å; F1015-R1043 PolarHBondContact O-NH2 2.85Å |
| 1016 | V | 91.9 | Very high | 84.9 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 148.4 | 174.1 | 61.2 | 0 | 0 | 0 | 0 | 109.9 | N996 L1018 V1032 V1033 I1035 | N996-V1016 HydrophobicContact CB-CG2 3.93Å; V1016-L1018 HydrophobicContact CG1-CD1 4.35Å; V1016-L1018 HydrophobicContact CG1-CD2 4.15Å; V1016-L1018 HydrophobicContact CG1-CG 3.97Å; V1016-L1018 HydrophobicContact CG2-CD2 4.05Å; V1016-V1032 WeakPolarHBondContact O-CA 3.34Å; V1016-V1033 HydrophobicContact CG1-CG2 4.03Å; V1016-V1033 PolarHBondContact N-O 3.46Å; V1016-V1033 PolarHBondContact O-N 2.92Å; V1016-I1035 HydrophobicContact CB-CG2 3.94Å; V1016-I1035 HydrophobicContact CG1-CG2 3.85Å |
| 1017 | K | 87.4 | Confident | 84.4 | Confident | 56 Ų | 56 | 35 Ų | 35 | 24% | 0.243 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.2 | 168.4 | -82 | 176 | -176.6 | 174.2 | 0 | 109.7 | T938 V1031 V1032 | T938-K1017 VanDerWaalsContact OG1-CE 3.3Å; T938-K1017 WeakPolarHBondContact OG1-CE 3.39Å; K1017-V1031 CarbonylContact C-O 3.48Å; K1017-V1031 WeakPolarHBondContact CA-O 3.44Å; K1017-V1032 HydrophobicContact CD-CG2 4.18Å; K1017-V1032 VanDerWaalsContact CE-CG2 3.44Å; K1017-V1032 HydrophobicContact CG-CB 4.49Å; K1017-V1032 HydrophobicContact CG-CG2 3.59Å |
| 1018 | L | 83.9 | Confident | 83.7 | Confident | 27 Ų | 27 | 37.9 Ų | 37.9 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 150.9 | 174.2 | -60.6 | -177.7 | 0 | 0 | 0 | 110.2 | V1016 V1031 V1033 T1088 | V1016-L1018 HydrophobicContact CG1-CD1 4.35Å; V1016-L1018 HydrophobicContact CG1-CD2 4.15Å; V1016-L1018 HydrophobicContact CG1-CG 3.97Å; V1016-L1018 HydrophobicContact CG2-CD2 4.05Å; L1018-V1031 PolarHBondContact N-O 3.13Å; L1018-V1031 PolarHBondContact O-N 3.47Å; L1018-V1033 HydrophobicContact CB-CG2 4.29Å; L1018-V1033 HydrophobicContact CD1-CG2 3.63Å; L1018-V1033 HydrophobicContact CG-CG2 3.83Å; L1018-T1088 HydrophobicContact CD1-CG2 3.75Å |
| 1019 | R | 80.5 | Confident | 82.7 | Confident | 122 Ų | 122 | 38.4 Ų | 38.4 | 46% | 0.46 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.1 | 168.2 | -67.2 | 178.2 | 175.2 | -163.9 | -5.2 | 109.2 | E1028 S1029 L1030 R1094 T1095 | R1019-E1028 HydrophobicContact CB-CG 4.47Å; R1019-E1028 WeakPolarHBondContact CD-OE1 3.24Å; R1019-S1029 WeakPolarHBondContact CA-O 3.45Å; R1019-L1030 HydrophobicContact CB-CD2 4.43Å; R1019-L1030 HydrophobicContact CG-CD2 3.45Å; R1019-L1030 VanDerWaalsContact CG-CD2 3.45Å; R1019-L1030 HydrophobicContact CG-CG 4.3Å; R1019-R1094 WeakPolarHBondContact O-CD 3.41Å; R1019-R1094 WeakPolarHBondContact O-CG 3.44Å; R1019-R1094 PolarHBondContact O-NH1 2.88Å; R1019-T1095 HydrophobicContact CB-CG2 3.98Å |
| 1020 | A | 81.3 | Confident | 81.8 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 134.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | S1029 V1031 R1094 | A1020-S1029 PolarHBondContact N-O 3.44Å; A1020-S1029 PolarHBondContact O-N 3.49Å; A1020-S1029 PolarHBondContact O-OG 2.82Å; A1020-V1031 HydrophobicContact CB-CG2 3.55Å; A1020-R1094 CarbonylContact C-O 3.59Å; A1020-R1094 WeakPolarHBondContact CA-O 3.21Å |
| 1021 | V | 77.7 | Confident | 81.1 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.2 | 167.1 | 170.1 | 0 | 0 | 0 | 0 | 108 | P1023 I1027 E1028 R1094 T1095 N1096 F1124 | V1021-P1023 WeakPolarHBondContact O-CD 3.48Å; V1021-I1027 WeakPolarHBondContact CA-O 3.32Å; V1021-E1028 HydrophobicContact CG2-CB 4.02Å; V1021-E1028 HydrophobicContact CG2-CG 4.3Å; V1021-R1094 PolarHBondContact N-O 3.02Å; V1021-T1095 VanDerWaalsContact CG2-C 3.4Å; V1021-N1096 HydrophobicContact CG2-CB 4.27Å; V1021-F1124 HydrophobicContact CG1-CE2 4.44Å |
| 1022 | H | 73.4 | Confident | 80.6 | Confident | 74 Ų | 74 | 46 Ų | 46 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | trans | -68.8 | 120.3 | 171.5 | -172.7 | -84.2 | 0 | 0 | 0 | 108.7 | Q1024 T1025 G1026 I1027 | H1022-Q1024 PolarHBondContact CE1-OE1 2.91Å; H1022-Q1024 PolarHBondContact O-N 2.71Å; H1022-Q1024 VanDerWaalsContact O-N 3.08Å; H1022-T1025 WeakPolarHBondContact CB-OG1 3.32Å; H1022-T1025 PolarHBondContact O-N 2.77Å; H1022-G1026 PolarHBondContact O-N 3.06Å; H1022-I1027 PolarHBondContact N-O 3.02Å | ||
| 1023 | P | 69.5 | Low | 80.3 | Confident | 80 Ų | 80 | 48 Ų | 48 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32.2 | -168.6 | -27.2 | 34.2 | 0 | 0 | 0 | 114.6 | V1021 F1124 | V1021-P1023 WeakPolarHBondContact O-CD 3.48Å; P1023-F1124 HydrophobicContact CB-CE1 4.38Å; P1023-F1124 HydrophobicContact CB-CE2 4.15Å; P1023-F1124 HydrophobicContact CB-CZ 3.92Å; P1023-F1124 HydrophobicContact CG-CZ 4.31Å |
| 1024 | Q | 67.1 | Low | 80.1 | Confident | 145 Ų | 145 | 51.7 Ų | 51.7 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -38.7 | -178.2 | -63.3 | 172 | -16.9 | 0 | 0 | 112.6 | H1022 | H1022-Q1024 PolarHBondContact CE1-OE1 2.91Å; H1022-Q1024 PolarHBondContact O-N 2.71Å; H1022-Q1024 VanDerWaalsContact O-N 3.08Å |
| 1025 | T | 67.3 | Low | 80.1 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -18.1 | -171.2 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | H1022 I1027 F1307 | H1022-T1025 WeakPolarHBondContact CB-OG1 3.32Å; H1022-T1025 PolarHBondContact O-N 2.77Å; T1025-I1027 PolarHBondContact O-N 3.19Å; T1025-I1027 VanDerWaalsContact O-N 3.14Å; T1025-I1027 WeakPolarHBondContact OG1-CB 3.47Å; T1025-I1027 PolarHBondContact OG1-N 2.8Å; T1025-F1307 HydrophobicContact CG2-CB 3.85Å; T1025-F1307 HydrophobicContact CG2-CD1 4.35Å; T1025-F1307 HydrophobicContact CG2-CD2 3.44Å; T1025-F1307 VanDerWaalsContact CG2-CD2 3.44Å; T1025-F1307 HydrophobicContact CG2-CE2 4.01Å; T1025-F1307 HydrophobicContact CG2-CG 3.62Å |
| 1026 | G | 69 | Low | 80 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | trans | 69.5 | 1.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1022 E1028 | H1022-G1026 PolarHBondContact O-N 3.06Å; G1026-E1028 PolarHBondContact O-N 3.3Å | ||
| 1027 | I | 72 | Confident | 79.8 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.138 | 27% | 0.273 | C | S | . | . | trans | -77.3 | 124.6 | -178.2 | -60.5 | 172.2 | 0 | 0 | 0 | 108.9 | V1021 H1022 T1025 T1302 F1307 V1332 | V1021-I1027 WeakPolarHBondContact CA-O 3.32Å; H1022-I1027 PolarHBondContact N-O 3.02Å; T1025-I1027 PolarHBondContact O-N 3.19Å; T1025-I1027 VanDerWaalsContact O-N 3.14Å; T1025-I1027 WeakPolarHBondContact OG1-CB 3.47Å; T1025-I1027 PolarHBondContact OG1-N 2.8Å; I1027-T1302 HydrophobicContact CD1-CG2 4.18Å; I1027-F1307 HydrophobicContact CD1-CB 4.49Å; I1027-F1307 HydrophobicContact CD1-CD1 3.66Å; I1027-F1307 HydrophobicContact CD1-CE1 4.25Å; I1027-F1307 HydrophobicContact CD1-CG 4.32Å; I1027-V1332 HydrophobicContact CG2-CB 3.65Å; I1027-V1332 HydrophobicContact CG2-CG1 4.13Å; I1027-V1332 HydrophobicContact CG2-CG2 3.68Å | ||
| 1028 | E | 75.6 | Confident | 79.7 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.3 | 171.1 | -170.1 | 173.8 | -179.7 | 0 | 0 | 109.8 | R1019 V1021 G1026 | R1019-E1028 HydrophobicContact CB-CG 4.47Å; R1019-E1028 WeakPolarHBondContact CD-OE1 3.24Å; V1021-E1028 HydrophobicContact CG2-CB 4.02Å; V1021-E1028 HydrophobicContact CG2-CG 4.3Å; G1026-E1028 PolarHBondContact O-N 3.3Å |
| 1029 | S | 72.8 | Confident | 79.9 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.3 | 178.8 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | R1019 A1020 | R1019-S1029 WeakPolarHBondContact CA-O 3.45Å; A1020-S1029 PolarHBondContact N-O 3.44Å; A1020-S1029 PolarHBondContact O-N 3.49Å; A1020-S1029 PolarHBondContact O-OG 2.82Å |
| 1030 | L | 76.5 | Confident | 80.4 | Confident | 64 Ų | 64 | 41.4 Ų | 41.4 | 34% | 0.335 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 111.8 | 171.6 | -75.7 | 167.1 | 0 | 0 | 0 | 109.6 | R1019 L1333 | R1019-L1030 HydrophobicContact CB-CD2 4.43Å; R1019-L1030 HydrophobicContact CG-CD2 3.45Å; R1019-L1030 VanDerWaalsContact CG-CD2 3.45Å; R1019-L1030 HydrophobicContact CG-CG 4.3Å; L1030-L1333 HydrophobicContact CD1-CD2 4.21Å |
| 1031 | V | 80.6 | Confident | 80.7 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 30% | 0.303 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.3 | -179.2 | -66.8 | 0 | 0 | 0 | 0 | 110.9 | K1017 L1018 A1020 V1033 | K1017-V1031 CarbonylContact C-O 3.48Å; K1017-V1031 WeakPolarHBondContact CA-O 3.44Å; L1018-V1031 PolarHBondContact N-O 3.13Å; L1018-V1031 PolarHBondContact O-N 3.47Å; A1020-V1031 HydrophobicContact CB-CG2 3.55Å; V1031-V1033 HydrophobicContact CG2-CG1 3.95Å |
| 1032 | V | 87.4 | Confident | 81 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 35% | 0.352 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.3 | 171.2 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | T938 F1015 V1016 K1017 | T938-V1032 HydrophobicContact CG2-CG1 4Å; F1015-V1032 HydrophobicContact CB-CG1 3.9Å; F1015-V1032 HydrophobicContact CD1-CG1 4.07Å; F1015-V1032 HydrophobicContact CG-CG1 4.24Å; V1016-V1032 WeakPolarHBondContact O-CA 3.34Å; K1017-V1032 HydrophobicContact CD-CG2 4.18Å; K1017-V1032 VanDerWaalsContact CE-CG2 3.44Å; K1017-V1032 HydrophobicContact CG-CB 4.49Å; K1017-V1032 HydrophobicContact CG-CG2 3.59Å |
| 1033 | V | 89.6 | Confident | 81.9 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.7 | 178.3 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | F1015 V1016 L1018 V1031 | F1015-V1033 WeakPolarHBondContact CA-O 3.24Å; V1016-V1033 HydrophobicContact CG1-CG2 4.03Å; V1016-V1033 PolarHBondContact N-O 3.46Å; V1016-V1033 PolarHBondContact O-N 2.92Å; L1018-V1033 HydrophobicContact CB-CG2 4.29Å; L1018-V1033 HydrophobicContact CD1-CG2 3.63Å; L1018-V1033 HydrophobicContact CG-CG2 3.83Å; V1031-V1033 HydrophobicContact CG2-CG1 3.95Å |
| 1034 | P | 92.3 | Very high | 82.9 | Confident | 80 Ų | 80 | 39.4 Ų | 39.4 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 146.5 | 168.8 | -21.7 | 33.2 | 0 | 0 | 0 | 111.3 | G1014 F1015 L1084 | G1014-P1034 WeakPolarHBondContact O-CA 3.17Å; F1015-P1034 HydrophobicContact CD1-CG 4.49Å; F1015-P1034 HydrophobicContact CE1-CG 4.19Å; P1034-L1084 HydrophobicContact CB-CD2 3.83Å |
| 1035 | I | 92.9 | Very high | 83.8 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 166.1 | 174.6 | 63.6 | -178.3 | 0 | 0 | 0 | 112 | D1012 G1014 V1016 A1040 L1084 | D1012-I1035 VanDerWaalsContact OD2-CD1 3.23Å; D1012-I1035 WeakPolarHBondContact OD2-CD1 3.43Å; G1014-I1035 WeakPolarHBondContact O-CG1 3.43Å; G1014-I1035 PolarHBondContact O-N 3.27Å; V1016-I1035 HydrophobicContact CB-CG2 3.94Å; V1016-I1035 HydrophobicContact CG1-CG2 3.85Å; I1035-A1040 HydrophobicContact CD1-CB 3.63Å; I1035-A1040 HydrophobicContact CG1-CB 4.26Å; I1035-L1084 HydrophobicContact CG1-CD1 4.14Å; I1035-L1084 WeakPolarHBondContact O-CD2 3.24Å |
| 1036 | S | 90.6 | Very high | 84.7 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -83.3 | 164.1 | 168.7 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | A1038 S1039 A1040 R1085 T1088 | S1036-A1038 VanDerWaalsContact C-N 3.31Å; S1036-A1038 PolarHBondContact O-N 3.4Å; S1036-S1039 WeakPolarHBondContact O-CB 3.45Å; S1036-S1039 PolarHBondContact O-N 3.31Å; S1036-S1039 VanDerWaalsContact OG-CB 3.3Å; S1036-S1039 WeakPolarHBondContact OG-CB 3.31Å; S1036-S1039 PolarHBondContact OG-N 2.95Å; S1036-A1040 PolarHBondContact O-N 3Å; S1036-R1085 CarbonylContact C-O 3.5Å; S1036-R1085 VanDerWaalsContact CA-O 3.22Å; S1036-R1085 WeakPolarHBondContact CA-O 3.41Å; S1036-R1085 VanDerWaalsContact CB-O 3.31Å; S1036-R1085 WeakPolarHBondContact CB-O 3.29Å; S1036-T1088 PolarHBondContact OG-N 2.91Å; S1036-T1088 PolarHBondContact OG-OG1 2.69Å |
| 1037 | K | 89.4 | Confident | 85.7 | Confident | 46 Ų | 46 | 31.6 Ų | 31.6 | 20% | 0.2 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 172.4 | -68.1 | -175.8 | 172.7 | -175.6 | 0 | 111 | S1039 A1040 E1041 F1081 E1082 L1084 R1085 | K1037-S1039 PolarHBondContact O-N 3.12Å; K1037-A1040 WeakPolarHBondContact O-CB 3.35Å; K1037-A1040 PolarHBondContact O-N 3.5Å; K1037-E1041 WeakPolarHBondContact O-CG 3.47Å; K1037-E1041 PolarHBondContact O-N 3.44Å; K1037-F1081 HydrophobicContact CB-CE2 4.45Å; K1037-F1081 HydrophobicContact CB-CZ 4.27Å; K1037-F1081 HydrophobicContact CD-CE1 4.47Å; K1037-F1081 HydrophobicContact CD-CZ 4.45Å; K1037-F1081 WeakPolarHBondContact CE-O 3.4Å; K1037-F1081 HydrophobicContact CG-CE2 4.25Å; K1037-F1081 HydrophobicContact CG-CZ 4.09Å; K1037-E1082 IonicContact NZ-OE2 2.87Å; K1037-E1082 PolarHBondContact NZ-OE2 3.44Å; K1037-L1084 WeakPolarHBondContact CE-O 3.34Å; K1037-L1084 HydrophobicContact CG-CB 3.91Å; K1037-R1085 PolarHBondContact N-O 3.19Å |
| 1038 | A | 84.1 | Confident | 86.1 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T865 S1036 E1041 Q1042 P1086 F1087 | T865-A1038 HydrophobicContact CG2-CB 4.45Å; S1036-A1038 VanDerWaalsContact C-N 3.31Å; S1036-A1038 PolarHBondContact O-N 3.4Å; A1038-E1041 PolarHBondContact O-N 3.31Å; A1038-Q1042 WeakPolarHBondContact O-CG 3.04Å; A1038-Q1042 PolarHBondContact O-N 3.1Å; A1038-P1086 WeakPolarHBondContact CB-O 3.2Å; A1038-P1086 PolarHBondContact N-O 3.47Å; A1038-P1086 VanDerWaalsContact N-O 3.09Å; A1038-F1087 HydrophobicContact CB-CD1 3.91Å; A1038-F1087 HydrophobicContact CB-CE1 4.29Å |
| 1039 | S | 88.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | E999 S1036 K1037 E1041 Q1042 R1043 | E999-S1039 WeakPolarHBondContact OE1-CA 3.36Å; E999-S1039 WeakPolarHBondContact OE1-CB 3.39Å; E999-S1039 PolarHBondContact OE1-OG 3.43Å; E999-S1039 PolarHBondContact OE2-OG 2.9Å; S1036-S1039 WeakPolarHBondContact O-CB 3.45Å; S1036-S1039 PolarHBondContact O-N 3.31Å; S1036-S1039 VanDerWaalsContact OG-CB 3.3Å; S1036-S1039 WeakPolarHBondContact OG-CB 3.31Å; S1036-S1039 PolarHBondContact OG-N 2.95Å; K1037-S1039 PolarHBondContact O-N 3.12Å; S1039-E1041 VanDerWaalsContact C-N 3.31Å; S1039-E1041 PolarHBondContact O-N 3.29Å; S1039-Q1042 PolarHBondContact O-N 3.14Å; S1039-R1043 WeakPolarHBondContact O-CB 3.18Å; S1039-R1043 VanDerWaalsContact O-CG 3.26Å; S1039-R1043 WeakPolarHBondContact O-CG 3.43Å; S1039-R1043 PolarHBondContact O-N 3.23Å |
| 1040 | A | 90.5 | Very high | 86 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63 | -34.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | I1035 S1036 K1037 A1044 R1057 F1081 | I1035-A1040 HydrophobicContact CD1-CB 3.63Å; I1035-A1040 HydrophobicContact CG1-CB 4.26Å; S1036-A1040 PolarHBondContact O-N 3Å; K1037-A1040 WeakPolarHBondContact O-CB 3.35Å; K1037-A1040 PolarHBondContact O-N 3.5Å; A1040-A1044 WeakPolarHBondContact O-CB 3.34Å; A1040-A1044 PolarHBondContact O-N 3.4Å; A1040-A1044 VanDerWaalsContact O-N 3.12Å; A1040-R1057 VanDerWaalsContact C-NH2 3.25Å; A1040-R1057 PolarHBondContact O-NH2 3.42Å; A1040-F1081 HydrophobicContact CB-CE2 3.95Å |
| 1041 | E | 88.2 | Confident | 86.1 | Confident | 117 Ų | 117 | 31.9 Ų | 31.9 | 55% | 0.547 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70.7 | -45.1 | 174.3 | -73.7 | 170.4 | 179.5 | 0 | 0 | 111.5 | K1037 A1038 S1039 R1043 A1044 G1045 | K1037-E1041 WeakPolarHBondContact O-CG 3.47Å; K1037-E1041 PolarHBondContact O-N 3.44Å; A1038-E1041 PolarHBondContact O-N 3.31Å; S1039-E1041 VanDerWaalsContact C-N 3.31Å; S1039-E1041 PolarHBondContact O-N 3.29Å; E1041-R1043 VanDerWaalsContact C-N 3.34Å; E1041-R1043 PolarHBondContact O-N 3.03Å; E1041-A1044 PolarHBondContact O-N 3.19Å; E1041-G1045 PolarHBondContact O-N 3.36Å |
| 1042 | Q | 84.9 | Confident | 86.4 | Confident | 32 Ų | 32 | 34.8 Ų | 34.8 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 175.7 | -73.4 | -169.1 | 1.1 | 0 | 0 | 112.4 | H834 E999 A1038 S1039 G1045 R1046 | H834-Q1042 PolarHBondContact CD2-NE2 3.09Å; H834-Q1042 PolarHBondContact NE2-NE2 3.36Å; H834-Q1042 VanDerWaalsContact NE2-NE2 3.14Å; E999-Q1042 HydrophobicContact CG-CB 4.34Å; A1038-Q1042 WeakPolarHBondContact O-CG 3.04Å; A1038-Q1042 PolarHBondContact O-N 3.1Å; S1039-Q1042 PolarHBondContact O-N 3.14Å; Q1042-G1045 PolarHBondContact O-N 2.86Å; Q1042-R1046 WeakPolarHBondContact O-CG 3.13Å; Q1042-R1046 PolarHBondContact O-N 3.19Å |
| 1043 | R | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 174.5 | -71.8 | 179.7 | -177.3 | -163.8 | -0.1 | 111.1 | F936 E999 V1010 D1012 F1015 S1039 E1041 G1045 R1046 | F936-R1043 HydrophobicContact CD1-CG 4.19Å; F936-R1043 HydrophobicContact CD2-CB 3.88Å; F936-R1043 HydrophobicContact CD2-CG 3.75Å; F936-R1043 HydrophobicContact CE1-CG 4.07Å; F936-R1043 HydrophobicContact CE2-CB 3.64Å; F936-R1043 HydrophobicContact CE2-CG 3.61Å; F936-R1043 HydrophobicContact CG-CG 4.03Å; F936-R1043 HydrophobicContact CZ-CB 4.21Å; F936-R1043 HydrophobicContact CZ-CG 3.78Å; E999-R1043 HydrophobicContact CG-CG 3.95Å; E999-R1043 IonicContact OE2-CZ 3.67Å; E999-R1043 IonicContact OE2-NE 2.81Å; E999-R1043 PolarHBondContact OE2-NE 2.78Å; E999-R1043 IonicContact OE2-NH2 3.58Å; E999-R1043 PolarHBondContact OE2-NH2 3.25Å; V1010-R1043 WeakPolarHBondContact CG2-O 3.35Å; D1012-R1043 WeakPolarHBondContact OD1-CD 3.49Å; D1012-R1043 IonicContact OD1-CZ 2.75Å; D1012-R1043 IonicContact OD1-NH1 3.26Å; D1012-R1043 PolarHBondContact OD1-NH1 3.36Å; F1015-R1043 PolarHBondContact O-NH1 3.4Å; F1015-R1043 PolarHBondContact O-NH2 2.85Å; S1039-R1043 WeakPolarHBondContact O-CB 3.18Å; S1039-R1043 VanDerWaalsContact O-CG 3.26Å; S1039-R1043 WeakPolarHBondContact O-CG 3.43Å; S1039-R1043 PolarHBondContact O-N 3.23Å; E1041-R1043 VanDerWaalsContact C-N 3.34Å; E1041-R1043 PolarHBondContact O-N 3.03Å; R1043-G1045 VanDerWaalsContact C-N 3.32Å; R1043-G1045 PolarHBondContact O-N 2.92Å; R1043-R1046 WeakPolarHBondContact O-CB 3.44Å; R1043-R1046 WeakPolarHBondContact O-CG 3.27Å; R1043-R1046 PolarHBondContact O-N 2.63Å |
| 1044 | A | 90 | Very high | 86.8 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 5% | 0.05 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I900 A1040 E1041 R1046 A1047 A1055 | I900-A1044 VanDerWaalsContact CD1-O 3.3Å; I900-A1044 WeakPolarHBondContact CD1-O 3.42Å; A1040-A1044 WeakPolarHBondContact O-CB 3.34Å; A1040-A1044 PolarHBondContact O-N 3.4Å; A1040-A1044 VanDerWaalsContact O-N 3.12Å; E1041-A1044 PolarHBondContact O-N 3.19Å; A1044-R1046 PolarHBondContact O-N 3.26Å; A1044-A1047 WeakPolarHBondContact O-CB 3.41Å; A1044-A1047 PolarHBondContact O-N 3.23Å; A1044-A1055 HydrophobicContact CB-CB 3.72Å |
| 1045 | G | 86.1 | Confident | 86.9 | Confident | 23 Ų | 23 | 28 Ų | 28 | 24% | 0.237 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -52.9 | -25.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1041 Q1042 R1043 A1047 G1048 | E1041-G1045 PolarHBondContact O-N 3.36Å; Q1042-G1045 PolarHBondContact O-N 2.86Å; R1043-G1045 VanDerWaalsContact C-N 3.32Å; R1043-G1045 PolarHBondContact O-N 2.92Å; G1045-A1047 PolarHBondContact O-N 3.4Å; G1045-G1048 PolarHBondContact O-N 3.46Å |
| 1046 | R | 87.1 | Confident | 87 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 4% | 0.038 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -62.2 | -27.8 | 175.7 | -56 | -64 | 165.4 | 162.1 | -21.3 | 112.9 | L934 F936 A998 E999 V1002 V1010 Q1042 R1043 A1044 R1049 | L934-R1046 HydrophobicContact CD2-CB 3.94Å; L934-R1046 HydrophobicContact CD2-CG 4.09Å; F936-R1046 HydrophobicContact CE2-CG 4.48Å; F936-R1046 HydrophobicContact CZ-CG 4.27Å; A998-R1046 WeakPolarHBondContact O-CD 3.36Å; A998-R1046 PolarHBondContact O-NE 2.81Å; A998-R1046 VanDerWaalsContact O-NE 3.09Å; A998-R1046 PolarHBondContact O-NH1 3.18Å; A998-R1046 VanDerWaalsContact O-NH1 3.13Å; E999-R1046 PolarHBondContact O-NE 3.4Å; E999-R1046 PolarHBondContact O-NH2 3.31Å; V1002-R1046 PolarHBondContact O-NH1 2.9Å; V1010-R1046 HydrophobicContact CG2-CB 3.96Å; Q1042-R1046 WeakPolarHBondContact O-CG 3.13Å; Q1042-R1046 PolarHBondContact O-N 3.19Å; R1043-R1046 WeakPolarHBondContact O-CB 3.44Å; R1043-R1046 WeakPolarHBondContact O-CG 3.27Å; R1043-R1046 PolarHBondContact O-N 2.63Å; A1044-R1046 PolarHBondContact O-N 3.26Å; R1046-R1049 VanDerWaalsContact NE-NH2 3.15Å |
| 1047 | A | 88.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -73.4 | -30.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I900 V1008 V1010 A1044 G1045 | I900-A1047 HydrophobicContact CG1-CB 4.37Å; I900-A1047 HydrophobicContact CG2-CB 4.25Å; V1008-A1047 WeakPolarHBondContact O-CB 3.31Å; V1010-A1047 HydrophobicContact CB-CB 4.38Å; V1010-A1047 HydrophobicContact CG2-CB 3.8Å; A1044-A1047 WeakPolarHBondContact O-CB 3.41Å; A1044-A1047 PolarHBondContact O-N 3.23Å; G1045-A1047 PolarHBondContact O-N 3.4Å |
| 1048 | G | 81.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -93.8 | 10.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | F898 G1045 | F898-G1048 WeakPolarHBondContact CB-O 3.36Å; F898-G1048 PolarHBondContact N-O 2.91Å; G1045-G1048 PolarHBondContact O-N 3.46Å |
| 1049 | R | 75.2 | Confident | 87.7 | Confident | 48 Ų | 48 | 27.7 Ų | 27.7 | 18% | 0.181 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -76 | -31.9 | -172.4 | -72.8 | -165.1 | 173.3 | 159.8 | 10.2 | 114.9 | T735 T1003 R1046 | T735-R1049 PolarHBondContact OG1-NH2 3.32Å; T1003-R1049 VanDerWaalsContact CB-NH1 3.35Å; T1003-R1049 PolarHBondContact OG1-NH1 3.46Å; R1046-R1049 VanDerWaalsContact NE-NH2 3.15Å |
| 1050 | I | 70.4 | Confident | 87.4 | Confident | 23 Ų | 23 | 27.9 Ų | 27.9 | 12% | 0.118 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -107.8 | -40.5 | -173.8 | -62.2 | 173.9 | 0 | 0 | 0 | 110.5 | M697 F898 | M697-I1050 WeakPolarHBondContact CE-O 3.42Å; M697-I1050 HydrophobicContact CG-CG2 4.3Å; F898-I1050 WeakPolarHBondContact CE2-O 3.28Å |
| 1051 | R | 79.1 | Confident | 86.5 | Confident | 107 Ų | 107 | 28.9 Ų | 28.9 | 40% | 0.404 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -158.8 | 177.9 | 179.1 | 60.8 | -175.8 | -172.2 | 177.6 | 4.6 | 108.5 | G930 V1008 G1053 | G930-R1051 PolarHBondContact O-NH2 3.34Å; V1008-R1051 HydrophobicContact CG2-CG 3.97Å; R1051-G1053 PolarHBondContact O-N 2.81Å |
| 1052 | Y | 86.7 | Confident | 85.2 | Confident | 111 Ų | 111 | 28.2 Ų | 28.2 | 44% | 0.435 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -48.4 | 130.2 | 172.6 | 177.1 | -95.2 | 0 | 0 | 0 | 111.2 | P899 D901 | P899-Y1052 HydrophobicContact CB-CD2 4.01Å; P899-Y1052 HydrophobicContact CB-CE2 4.22Å; P899-Y1052 WeakPolarHBondContact O-CD2 3.35Å; D901-Y1052 PolarHBondContact OD1-OH 3.09Å; D901-Y1052 PolarHBondContact OD2-OH 3.42Å |
| 1053 | G | 90.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 173.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P899 I900 D901 V1008 R1051 | P899-G1053 PolarHBondContact O-N 3.17Å; I900-G1053 WeakPolarHBondContact CA-O 3.22Å; D901-G1053 PolarHBondContact N-O 3.34Å; V1008-G1053 CarbonylContact O-C 3.57Å; V1008-G1053 VanDerWaalsContact O-CA 3.23Å; V1008-G1053 WeakPolarHBondContact O-CA 3.14Å; R1051-G1053 PolarHBondContact O-N 2.81Å |
| 1054 | K | 93.8 | Very high | 81 | Confident | 38 Ų | 38 | 34 Ų | 34 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.1 | 177.7 | -59.1 | -178.8 | 172.5 | 169.2 | 0 | 110.9 | D901 Y903 E927 V1008 Y1009 V1010 Y1056 | D901-K1054 HydrophobicContact CB-CG 4.25Å; D901-K1054 CarbonylContact O-C 3.55Å; D901-K1054 WeakPolarHBondContact O-CA 3.29Å; Y903-K1054 HydrophobicContact CD2-CB 4.43Å; Y903-K1054 HydrophobicContact CE2-CB 3.99Å; Y903-K1054 HydrophobicContact CE2-CD 3.93Å; Y903-K1054 HydrophobicContact CE2-CG 3.99Å; E927-K1054 WeakPolarHBondContact OE1-CD 3.4Å; E927-K1054 IonicContact OE1-NZ 3.33Å; E927-K1054 PolarHBondContact OE1-NZ 2.86Å; E927-K1054 IonicContact OE2-NZ 3.85Å; E927-K1054 PolarHBondContact OE2-NZ 3.39Å; V1008-K1054 PolarHBondContact O-N 2.83Å; Y1009-K1054 CarbonylContact C-O 3.51Å; Y1009-K1054 WeakPolarHBondContact CA-O 3.49Å; Y1009-K1054 HydrophobicContact CD1-CB 4.17Å; Y1009-K1054 HydrophobicContact CE1-CD 4.31Å; V1010-K1054 PolarHBondContact N-O 3.49Å; K1054-Y1056 HydrophobicContact CB-CE2 3.86Å |
| 1055 | A | 94.8 | Very high | 78.5 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I900 D901 I902 Y903 V1010 A1044 | I900-A1055 HydrophobicContact CG2-CB 3.91Å; D901-A1055 PolarHBondContact O-N 3.08Å; I902-A1055 WeakPolarHBondContact CA-O 3.45Å; Y903-A1055 PolarHBondContact N-O 3.37Å; V1010-A1055 HydrophobicContact CB-CB 4.36Å; V1010-A1055 CarbonylContact O-C 3.45Å; V1010-A1055 WeakPolarHBondContact O-CA 3.37Å; A1044-A1055 HydrophobicContact CB-CB 3.72Å |
| 1056 | Y | 95.3 | Very high | 76.1 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 100.4 | -179.1 | -65.4 | -87.6 | 0 | 0 | 0 | 109.7 | Y903 I923 E927 Y1009 V1010 I1011 D1012 K1054 | Y903-Y1056 HydrophobicContact CD2-CD1 4.11Å; Y903-Y1056 AromaticContact CD2-CE1 3.82Å; Y903-Y1056 HydrophobicContact CD2-CE1 3.82Å; Y903-Y1056 HydrophobicContact CE2-CE1 4.44Å; Y903-Y1056 HydrophobicContact CG-CD1 4.1Å; Y903-Y1056 AromaticContact CG-CE1 3.95Å; Y903-Y1056 HydrophobicContact CG-CE1 3.95Å; I923-Y1056 HydrophobicContact CD1-CD2 3.38Å; I923-Y1056 HydrophobicContact CD1-CE2 3.36Å; I923-Y1056 HydrophobicContact CD1-CG 4.17Å; I923-Y1056 HydrophobicContact CG1-CD2 4.11Å; I923-Y1056 HydrophobicContact CG1-CE2 3.6Å; E927-Y1056 PolarHBondContact OE1-OH 3.38Å; Y1009-Y1056 HydrophobicContact CD1-CE2 4.45Å; V1010-Y1056 PolarHBondContact O-N 3.24Å; I1011-Y1056 WeakPolarHBondContact CA-O 3.23Å; D1012-Y1056 PolarHBondContact N-O 2.85Å; K1054-Y1056 HydrophobicContact CB-CE2 3.86Å |
| 1057 | R | 94.4 | Very high | 73.5 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 2% | 0.023 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.3 | 178.2 | -69.8 | 177.1 | 172.1 | 178 | -4.2 | 109.9 | I902 Y903 Y904 T905 D1012 A1040 Y1059 F1081 | I902-R1057 HydrophobicContact CG2-CG 4.31Å; Y903-R1057 PolarHBondContact O-N 3.38Å; Y904-R1057 HydrophobicContact CD1-CB 3.83Å; Y904-R1057 HydrophobicContact CE1-CB 4.14Å; Y904-R1057 HydrophobicContact CE1-CG 4.33Å; Y904-R1057 PolarHBondContact OH-NH1 2.66Å; T905-R1057 PolarHBondContact N-O 3.37Å; D1012-R1057 HydrophobicContact CB-CG 4.44Å; A1040-R1057 VanDerWaalsContact C-NH2 3.25Å; A1040-R1057 PolarHBondContact O-NH2 3.42Å; R1057-Y1059 HydrophobicContact CB-CD1 4.25Å; R1057-Y1059 HydrophobicContact CB-CD2 4.39Å; R1057-Y1059 HydrophobicContact CB-CE1 3.79Å; R1057-Y1059 HydrophobicContact CB-CE2 3.96Å; R1057-Y1059 VanDerWaalsContact CD-OH 3.24Å; R1057-Y1059 WeakPolarHBondContact CD-OH 3.43Å; R1057-Y1059 HydrophobicContact CG-CE1 4.12Å; R1057-Y1059 HydrophobicContact CG-CE2 4.25Å; R1057-Y1059 WeakPolarHBondContact CG-OH 3.47Å; R1057-Y1059 PolarHBondContact NE-OH 2.56Å; R1057-Y1059 PolarHBondContact O-N 3.09Å; R1057-F1081 VanDerWaalsContact NH1-CD2 3.31Å |
| 1058 | L | 93.8 | Very high | 70.8 | Confident | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 30.2 | -176.1 | -57.5 | -176.7 | 0 | 0 | 0 | 113.7 | T905 V909 A915 S916 A919 I1011 D1012 | T905-L1058 HydrophobicContact CG2-CD2 4.26Å; V909-L1058 HydrophobicContact CG2-CB 4.49Å; V909-L1058 VanDerWaalsContact CG2-O 3.3Å; V909-L1058 WeakPolarHBondContact CG2-O 3.42Å; A915-L1058 HydrophobicContact CB-CD1 4.04Å; S916-L1058 VanDerWaalsContact OG-CD1 3.27Å; S916-L1058 WeakPolarHBondContact OG-CD1 3.4Å; A919-L1058 HydrophobicContact CB-CD2 4.37Å; I1011-L1058 HydrophobicContact CG2-CD1 3.77Å; I1011-L1058 HydrophobicContact CG2-CD2 4.26Å; I1011-L1058 HydrophobicContact CG2-CG 3.98Å; D1012-L1058 PolarHBondContact O-N 2.93Å |
| 1059 | Y | 90.6 | Very high | 68.6 | Low | 22 Ų | 22 | 65.4 Ų | 65.4 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154.5 | 177.3 | 46 | -87.9 | 0 | 0 | 0 | 109.7 | Y904 T905 D1012 R1057 F1081 L1084 | Y904-Y1059 HydrophobicContact CD1-CE2 4.5Å; Y904-Y1059 HydrophobicContact CE1-CE2 4.3Å; T905-Y1059 PolarHBondContact N-O 3.39Å; T905-Y1059 WeakPolarHBondContact OG1-CA 3.44Å; T905-Y1059 PolarHBondContact OG1-N 3.06Å; T905-Y1059 VanDerWaalsContact OG1-N 3.12Å; T905-Y1059 PolarHBondContact OG1-O 2.9Å; D1012-Y1059 PolarHBondContact OD2-OH 2.87Å; R1057-Y1059 HydrophobicContact CB-CD1 4.25Å; R1057-Y1059 HydrophobicContact CB-CD2 4.39Å; R1057-Y1059 HydrophobicContact CB-CE1 3.79Å; R1057-Y1059 HydrophobicContact CB-CE2 3.96Å; R1057-Y1059 VanDerWaalsContact CD-OH 3.24Å; R1057-Y1059 WeakPolarHBondContact CD-OH 3.43Å; R1057-Y1059 HydrophobicContact CG-CE1 4.12Å; R1057-Y1059 HydrophobicContact CG-CE2 4.25Å; R1057-Y1059 WeakPolarHBondContact CG-OH 3.47Å; R1057-Y1059 PolarHBondContact NE-OH 2.56Å; R1057-Y1059 PolarHBondContact O-N 3.09Å; Y1059-F1081 HydrophobicContact CE2-CB 4.21Å; Y1059-F1081 HydrophobicContact CE2-CD2 4.15Å; Y1059-L1084 HydrophobicContact CE2-CD1 4.42Å |
| 1060 | P | 83.2 | Confident | 66.8 | Low | 7 Ų | 7 | 69 Ų | 69 | 5% | 0.045 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 143.8 | 178 | -24.6 | 34.2 | 0 | 0 | 0 | 113.3 | T905 E1080 F1081 | T905-P1060 WeakPolarHBondContact O-CA 3.32Å; P1060-E1080 HydrophobicContact CB-CG 4.47Å; P1060-E1080 HydrophobicContact CG-CG 4.27Å; P1060-E1080 PolarHBondContact O-N 2.89Å; P1060-F1081 PolarHBondContact O-N 3.38Å |
| 1061 | G | 71.4 | Confident | 65.3 | Low | 21 Ų | 21 | 77.1 Ų | 77.1 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | trans | -155.7 | 163.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y904 G1063 S1079 | Y904-G1061 VanDerWaalsContact CD1-CA 3.46Å; G1061-G1063 VanDerWaalsContact C-N 3.27Å; G1061-G1063 PolarHBondContact O-N 3.08Å; G1061-S1079 WeakPolarHBondContact CA-OG 3.35Å | ||
| 1062 | N | 60.4 | Low | 63.4 | Low | 103 Ų | 103 | 77.6 Ų | 77.6 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | trans | -78.2 | 71.5 | 179.2 | -68.7 | -23.3 | 0 | 0 | 0 | 110.8 | T1064 S1079 | N1062-T1064 PolarHBondContact O-N 3.48Å; N1062-S1079 VanDerWaalsContact CG-CB 3.46Å; N1062-S1079 PolarHBondContact N-OG 2.87Å; N1062-S1079 WeakPolarHBondContact ND2-CB 3.07Å; N1062-S1079 WeakPolarHBondContact OD1-CB 3.26Å | ||
| 1063 | G | 49.9 | Very low | 61 | Low | 30 Ų | 30 | 75.8 Ų | 75.8 | 31% | 0.309 | 43% | 0.426 | S | S | . | . | trans | -70 | 113.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1061 N1065 | G1061-G1063 VanDerWaalsContact C-N 3.27Å; G1061-G1063 PolarHBondContact O-N 3.08Å; G1063-N1065 PolarHBondContact O-N 3.13Å | ||
| 1064 | T | 37.6 | Very low | 58.2 | Low | 124 Ų | 124 | 79.4 Ų | 79.4 | 76% | 0.761 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 14.6 | -173.9 | 36.1 | 0 | 0 | 0 | 0 | 117 | N1062 | N1062-T1064 PolarHBondContact O-N 3.48Š|
| 1065 | N | 38.6 | Very low | 55.4 | Low | 147 Ų | 147 | 85 Ų | 85 | 79% | 0.786 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | 5.9 | 179.3 | -74 | -18 | 0 | 0 | 0 | 115.5 | G1063 | G1063-N1065 PolarHBondContact O-N 3.13Š|
| 1066 | Y | 34.8 | Very low | 52.5 | Low | 201 Ų | 201 | 94.8 Ų | 94.8 | 79% | 0.788 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -132.8 | 13.3 | -179.1 | -94.8 | -86.2 | 0 | 0 | 0 | 115.5 | G1068 | Y1066-G1068 VanDerWaalsContact C-N 3.29Å; Y1066-G1068 PolarHBondContact O-N 3.05Å |
| 1067 | T | 33 | Very low | 50.2 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 11.7 | -173.7 | 47.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1068 | G | 32.6 | Very low | 48.1 | Very low | 72 Ų | 72 | 104.9 Ų | 104.9 | 74% | 0.742 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -29.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y1066 | Y1066-G1068 VanDerWaalsContact C-N 3.29Å; Y1066-G1068 PolarHBondContact O-N 3.05Å |
| 1069 | M | 34.5 | Very low | 47 | Very low | 177 Ų | 177 | 104.5 Ų | 104.5 | 87% | 0.872 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -117.9 | 0.3 | -165.6 | -87.8 | -178.4 | 78.2 | 0 | 0 | 116.6 | ||
| 1070 | L | 37.4 | Very low | 46.4 | Very low | 123 Ų | 123 | 106.7 Ų | 106.7 | 64% | 0.644 | 60% | 0.598 | S | S | * | * | trans | -120.8 | 21.9 | -176.8 | -95.8 | 153.4 | 0 | 0 | 0 | 114.3 | S1072 | L1070-S1072 PolarHBondContact O-N 2.95Š| ||
| 1071 | K | 40.4 | Very low | 46.5 | Very low | 193 Ų | 193 | 107.4 Ų | 107.4 | 84% | 0.839 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -4.6 | 175.1 | -75.8 | -172 | 177.7 | -178.7 | 0 | 114.4 | ||
| 1072 | S | 37.8 | Very low | 47.1 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -1.2 | -173.5 | 48.5 | 0 | 0 | 0 | 0 | 115.9 | L1070 | L1070-S1072 PolarHBondContact O-N 2.95Š|
| 1073 | S | 36.9 | Very low | 48.3 | Very low | 73 Ų | 73 | 111.6 Ų | 111.6 | 51% | 0.51 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -122.9 | 104.4 | 176.5 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | L1075 | S1073-L1075 VanDerWaalsContact C-N 3.26Å; S1073-L1075 PolarHBondContact O-N 3.26Å |
| 1074 | G | 31.9 | Very low | 50.1 | Low | 77 Ų | 77 | 111.1 Ų | 111.1 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | trans | -67.9 | 49.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1075 | L | 34.5 | Very low | 52.5 | Low | 155 Ų | 155 | 113.1 Ų | 113.1 | 81% | 0.812 | 59% | 0.593 | S | S | * | * | trans | -107.2 | 94.9 | 162.8 | -103.2 | 85.6 | 0 | 0 | 0 | 109.4 | S1073 L1077 | S1073-L1075 VanDerWaalsContact C-N 3.26Å; S1073-L1075 PolarHBondContact O-N 3.26Å; L1075-L1077 PolarHBondContact O-N 3.33Å | ||
| 1076 | F | 34.8 | Very low | 54.7 | Low | 208 Ų | 208 | 110 Ų | 110 | 91% | 0.912 | 58% | 0.581 | S | S | * | * | trans | -75.3 | 106 | 167.6 | -72.6 | -84.9 | 0 | 0 | 0 | 108.9 | ||||
| 1077 | L | 45.1 | Very low | 57.1 | Low | 100 Ų | 100 | 104.6 Ų | 104.6 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | trans | -81.1 | 112.6 | 161.8 | -91 | 143.1 | 0 | 0 | 0 | 107.7 | R906 L1075 S1079 | R906-L1077 WeakPolarHBondContact O-CD1 3.46Å; L1075-L1077 PolarHBondContact O-N 3.33Å; L1077-S1079 PolarHBondContact O-N 3.48Å | ||
| 1078 | E | 51.3 | Low | 59.6 | Low | 135 Ų | 135 | 102.6 Ų | 102.6 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | trans | -56.1 | 134.8 | 171.1 | -67.8 | 177.6 | 160.8 | 0 | 0 | 110 | E1080 K1083 | E1078-E1080 PolarHBondContact O-N 2.85Å; E1078-E1080 VanDerWaalsContact O-N 3.15Å; E1078-K1083 WeakPolarHBondContact OE2-CE 3.24Å; E1078-K1083 IonicContact OE2-NZ 2.91Å; E1078-K1083 PolarHBondContact OE2-NZ 2.83Å | ||
| 1079 | S | 69.6 | Low | 62.3 | Low | 8 Ų | 8 | 101.4 Ų | 101.4 | 6% | 0.056 | 53% | 0.527 | C | S | . | . | trans | -65.2 | 111.6 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | G1061 N1062 L1077 F1081 E1082 | G1061-S1079 WeakPolarHBondContact CA-OG 3.35Å; N1062-S1079 VanDerWaalsContact CG-CB 3.46Å; N1062-S1079 PolarHBondContact N-OG 2.87Å; N1062-S1079 WeakPolarHBondContact ND2-CB 3.07Å; N1062-S1079 WeakPolarHBondContact OD1-CB 3.26Å; L1077-S1079 PolarHBondContact O-N 3.48Å; S1079-F1081 PolarHBondContact O-N 3.22Å; S1079-E1082 PolarHBondContact O-N 2.99Å; S1079-E1082 VanDerWaalsContact O-N 3.08Å; S1079-E1082 PolarHBondContact OG-N 2.82Å | ||
| 1080 | E | 79.3 | Confident | 64.8 | Low | 67 Ų | 67 | 93.7 Ų | 93.7 | 31% | 0.313 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -30.8 | 174.4 | -71.7 | -63.3 | 123.5 | 0 | 0 | 111.3 | P1060 E1078 E1082 K1083 L1084 | P1060-E1080 HydrophobicContact CB-CG 4.47Å; P1060-E1080 HydrophobicContact CG-CG 4.27Å; P1060-E1080 PolarHBondContact O-N 2.89Å; E1078-E1080 PolarHBondContact O-N 2.85Å; E1078-E1080 VanDerWaalsContact O-N 3.15Å; E1080-E1082 VanDerWaalsContact C-N 3.29Å; E1080-E1082 PolarHBondContact O-N 3.35Å; E1080-K1083 PolarHBondContact O-N 3.05Å; E1080-K1083 WeakPolarHBondContact OE1-CD 3.16Å; E1080-K1083 IonicContact OE1-NZ 3.11Å; E1080-K1083 PolarHBondContact OE1-NZ 3.25Å; E1080-L1084 PolarHBondContact O-N 3.13Å |
| 1081 | F | 84.3 | Confident | 67.3 | Low | 22 Ų | 22 | 89.5 Ų | 89.5 | 10% | 0.096 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60 | -36.4 | 173.6 | -178.3 | -103.1 | 0 | 0 | 0 | 112.9 | Y904 K1037 A1040 R1057 Y1059 P1060 S1079 K1083 L1084 | Y904-F1081 HydrophobicContact CE1-CB 4.07Å; Y904-F1081 HydrophobicContact CE1-CG 4.31Å; K1037-F1081 HydrophobicContact CB-CE2 4.45Å; K1037-F1081 HydrophobicContact CB-CZ 4.27Å; K1037-F1081 HydrophobicContact CD-CE1 4.47Å; K1037-F1081 HydrophobicContact CD-CZ 4.45Å; K1037-F1081 WeakPolarHBondContact CE-O 3.4Å; K1037-F1081 HydrophobicContact CG-CE2 4.25Å; K1037-F1081 HydrophobicContact CG-CZ 4.09Å; A1040-F1081 HydrophobicContact CB-CE2 3.95Å; R1057-F1081 VanDerWaalsContact NH1-CD2 3.31Å; Y1059-F1081 HydrophobicContact CE2-CB 4.21Å; Y1059-F1081 HydrophobicContact CE2-CD2 4.15Å; P1060-F1081 PolarHBondContact O-N 3.38Å; S1079-F1081 PolarHBondContact O-N 3.22Å; F1081-K1083 VanDerWaalsContact C-N 3.3Å; F1081-K1083 PolarHBondContact O-N 3.14Å; F1081-L1084 HydrophobicContact CD2-CD1 3.98Å; F1081-L1084 WeakPolarHBondContact O-CB 3.29Å; F1081-L1084 PolarHBondContact O-N 3.23Å |
| 1082 | E | 83.6 | Confident | 69.7 | Low | 103 Ų | 103 | 80.4 Ų | 80.4 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.1 | -24.6 | 179.5 | -69.9 | -56.4 | 153.3 | 0 | 0 | 113 | K1037 S1079 E1080 L1084 | K1037-E1082 IonicContact NZ-OE2 2.87Å; K1037-E1082 PolarHBondContact NZ-OE2 3.44Å; S1079-E1082 PolarHBondContact O-N 2.99Å; S1079-E1082 VanDerWaalsContact O-N 3.08Å; S1079-E1082 PolarHBondContact OG-N 2.82Å; E1080-E1082 VanDerWaalsContact C-N 3.29Å; E1080-E1082 PolarHBondContact O-N 3.35Å; E1082-L1084 VanDerWaalsContact C-N 3.31Å |
| 1083 | K | 85.8 | Confident | 72.1 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.6 | -17.1 | 175.8 | -61.4 | 178.1 | -174.8 | 172.1 | 0 | 113 | E1078 E1080 F1081 | E1078-K1083 WeakPolarHBondContact OE2-CE 3.24Å; E1078-K1083 IonicContact OE2-NZ 2.91Å; E1078-K1083 PolarHBondContact OE2-NZ 2.83Å; E1080-K1083 PolarHBondContact O-N 3.05Å; E1080-K1083 WeakPolarHBondContact OE1-CD 3.16Å; E1080-K1083 IonicContact OE1-NZ 3.11Å; E1080-K1083 PolarHBondContact OE1-NZ 3.25Å; F1081-K1083 VanDerWaalsContact C-N 3.3Å; F1081-K1083 PolarHBondContact O-N 3.14Å |
| 1084 | L | 88.8 | Confident | 74.5 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -65.2 | 141.8 | 178 | -57.3 | -176.3 | 0 | 0 | 0 | 110.6 | P1034 I1035 K1037 Y1059 E1080 F1081 E1082 | P1034-L1084 HydrophobicContact CB-CD2 3.83Å; I1035-L1084 HydrophobicContact CG1-CD1 4.14Å; I1035-L1084 WeakPolarHBondContact O-CD2 3.24Å; K1037-L1084 WeakPolarHBondContact CE-O 3.34Å; K1037-L1084 HydrophobicContact CG-CB 3.91Å; Y1059-L1084 HydrophobicContact CE2-CD1 4.42Å; E1080-L1084 PolarHBondContact O-N 3.13Å; F1081-L1084 HydrophobicContact CD2-CD1 3.98Å; F1081-L1084 WeakPolarHBondContact O-CB 3.29Å; F1081-L1084 PolarHBondContact O-N 3.23Å; E1082-L1084 VanDerWaalsContact C-N 3.31Å |
| 1085 | R | 88.7 | Confident | 77.1 | Confident | 167 Ų | 167 | 73.1 Ų | 73.1 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | trans | -63.2 | 147 | 174.6 | -64.2 | -175 | -174.6 | -166.5 | 1.5 | 109.9 | S1036 K1037 F1087 | S1036-R1085 CarbonylContact C-O 3.5Å; S1036-R1085 VanDerWaalsContact CA-O 3.22Å; S1036-R1085 WeakPolarHBondContact CA-O 3.41Å; S1036-R1085 VanDerWaalsContact CB-O 3.31Å; S1036-R1085 WeakPolarHBondContact CB-O 3.29Å; K1037-R1085 PolarHBondContact N-O 3.19Å; R1085-F1087 VanDerWaalsContact C-N 3.28Å; R1085-F1087 PolarHBondContact O-N 2.8Å | ||
| 1086 | P | 84.6 | Confident | 79.4 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 53% | 0.532 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -54.8 | -45.3 | 175.2 | -26.6 | 35 | 0 | 0 | 0 | 112.5 | A1038 | A1038-P1086 WeakPolarHBondContact CB-O 3.2Å; A1038-P1086 PolarHBondContact N-O 3.47Å; A1038-P1086 VanDerWaalsContact N-O 3.09Å |
| 1087 | F | 84.3 | Confident | 82 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -130.5 | 157.6 | -176.8 | -53.2 | -73.2 | 0 | 0 | 0 | 112 | A1038 R1085 | A1038-F1087 HydrophobicContact CB-CD1 3.91Å; A1038-F1087 HydrophobicContact CB-CE1 4.29Å; R1085-F1087 VanDerWaalsContact C-N 3.28Å; R1085-F1087 PolarHBondContact O-N 2.8Å |
| 1088 | T | 85.9 | Confident | 84.2 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -74 | 139 | 173.6 | -56 | 0 | 0 | 0 | 0 | 109.1 | L1018 S1036 P1090 | L1018-T1088 HydrophobicContact CD1-CG2 3.75Å; S1036-T1088 PolarHBondContact OG-N 2.91Å; S1036-T1088 PolarHBondContact OG-OG1 2.69Å; T1088-P1090 WeakPolarHBondContact O-CD 3.37Å |
| 1089 | V | 88.2 | Confident | 86 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 28% | 0.279 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 126.6 | 178 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | Q1093 R1094 | V1089-Q1093 HydrophobicContact CG1-CB 3.94Å; V1089-R1094 PolarHBondContact O-NE 2.84Å |
| 1090 | P | 88.5 | Confident | 86.9 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -51.8 | 144.1 | 178.1 | -30.6 | 37.6 | 0 | 0 | 0 | 112.9 | R836 T1088 I1092 Q1093 | R836-P1090 HydrophobicContact CB-CB 3.97Å; R836-P1090 HydrophobicContact CB-CG 4.28Å; T1088-P1090 WeakPolarHBondContact O-CD 3.37Å; P1090-I1092 VanDerWaalsContact C-N 3.26Å; P1090-I1092 HydrophobicContact CB-CG2 4.26Å; P1090-I1092 PolarHBondContact O-N 2.63Å; P1090-Q1093 PolarHBondContact O-N 3.37Å; P1090-Q1093 VanDerWaalsContact O-N 3.07Å |
| 1091 | E | 89.1 | Confident | 87.6 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -60.5 | -36.5 | -175 | -166.7 | 177.1 | -148.6 | 0 | 0 | 112.5 | R836 N837 V838 Q1093 R1094 T1095 | R836-E1091 WeakPolarHBondContact O-CB 3.47Å; R836-E1091 PolarHBondContact O-N 2.84Å; N837-E1091 WeakPolarHBondContact CA-OE2 3.44Å; N837-E1091 WeakPolarHBondContact CB-OE2 3.13Å; V838-E1091 HydrophobicContact CG2-CB 3.93Å; V838-E1091 HydrophobicContact CG2-CG 3.65Å; V838-E1091 PolarHBondContact N-OE2 3.09Å; E1091-Q1093 PolarHBondContact O-N 2.61Å; E1091-Q1093 VanDerWaalsContact O-N 3.08Å; E1091-R1094 WeakPolarHBondContact O-CG 2.96Å; E1091-R1094 PolarHBondContact O-N 2.92Å; E1091-T1095 HydrophobicContact CG-CG2 3.4Å; E1091-T1095 VanDerWaalsContact CG-CG2 3.4Å; E1091-T1095 PolarHBondContact O-N 3.41Å; E1091-T1095 VanDerWaalsContact O-N 3.08Å; E1091-T1095 PolarHBondContact O-OG1 3.09Å |
| 1092 | I | 89.9 | Confident | 88 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60 | -20.7 | 178.5 | -158.3 | 170.8 | 0 | 0 | 0 | 113.6 | D841 P1090 L1097 Y1117 S1119 P1121 | D841-I1092 HydrophobicContact CB-CD1 4.2Å; D841-I1092 WeakPolarHBondContact OD2-CG2 3.49Å; P1090-I1092 VanDerWaalsContact C-N 3.26Å; P1090-I1092 HydrophobicContact CB-CG2 4.26Å; P1090-I1092 PolarHBondContact O-N 2.63Å; I1092-L1097 HydrophobicContact CG1-CD2 3.79Å; I1092-Y1117 HydrophobicContact CD1-CD1 3.48Å; I1092-Y1117 VanDerWaalsContact CD1-CD1 3.48Å; I1092-Y1117 HydrophobicContact CD1-CE1 3.72Å; I1092-S1119 WeakPolarHBondContact CG2-O 3.02Å; I1092-P1121 HydrophobicContact CG1-CB 4.34Å |
| 1093 | Q | 90 | Very high | 88.2 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 32% | 0.318 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -92.3 | -7.9 | 177.5 | -65 | -172.8 | -32.7 | 0 | 0 | 113.7 | V1089 P1090 E1091 R1120 | V1089-Q1093 HydrophobicContact CG1-CB 3.94Å; P1090-Q1093 PolarHBondContact O-N 3.37Å; P1090-Q1093 VanDerWaalsContact O-N 3.07Å; E1091-Q1093 PolarHBondContact O-N 2.61Å; E1091-Q1093 VanDerWaalsContact O-N 3.08Å; Q1093-R1120 PolarHBondContact NE2-O 3.37Å |
| 1094 | R | 87.1 | Confident | 88.4 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 15% | 0.151 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -4.4 | -172.4 | 60.1 | 178.8 | 179.3 | 76.8 | 4.1 | 114.7 | R1019 A1020 V1021 V1089 E1091 | R1019-R1094 WeakPolarHBondContact O-CD 3.41Å; R1019-R1094 WeakPolarHBondContact O-CG 3.44Å; R1019-R1094 PolarHBondContact O-NH1 2.88Å; A1020-R1094 CarbonylContact C-O 3.59Å; A1020-R1094 WeakPolarHBondContact CA-O 3.21Å; V1021-R1094 PolarHBondContact N-O 3.02Å; V1089-R1094 PolarHBondContact O-NE 2.84Å; E1091-R1094 WeakPolarHBondContact O-CG 2.96Å; E1091-R1094 PolarHBondContact O-N 2.92Å |
| 1095 | T | 85.1 | Confident | 88.5 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -114.9 | 170.6 | -178.1 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | V838 R1019 V1021 E1091 L1097 | V838-T1095 WeakPolarHBondContact CG2-OG1 3.46Å; R1019-T1095 HydrophobicContact CB-CG2 3.98Å; V1021-T1095 VanDerWaalsContact CG2-C 3.4Å; E1091-T1095 HydrophobicContact CG-CG2 3.4Å; E1091-T1095 VanDerWaalsContact CG-CG2 3.4Å; E1091-T1095 PolarHBondContact O-N 3.41Å; E1091-T1095 VanDerWaalsContact O-N 3.08Å; E1091-T1095 PolarHBondContact O-OG1 3.09Å; T1095-L1097 PolarHBondContact O-N 3.42Å |
| 1096 | N | 84.3 | Confident | 88.5 | Confident | 51 Ų | 51 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | trans | -71.9 | 123.2 | 173.9 | -179.6 | -2.4 | 0 | 0 | 0 | 109.9 | V1021 A1098 | V1021-N1096 HydrophobicContact CG2-CB 4.27Å; N1096-A1098 PolarHBondContact OD1-N 2.98Å | ||
| 1097 | L | 89.5 | Confident | 88.6 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | trans | -89.7 | -4.2 | -173.8 | -61.6 | 176.1 | 0 | 0 | 0 | 114.2 | I1092 T1095 A1100 L1101 P1121 M1126 | I1092-L1097 HydrophobicContact CG1-CD2 3.79Å; T1095-L1097 PolarHBondContact O-N 3.42Å; L1097-A1100 HydrophobicContact CD2-CB 4.42Å; L1097-A1100 WeakPolarHBondContact O-CB 3.36Å; L1097-A1100 PolarHBondContact O-N 2.82Å; L1097-L1101 HydrophobicContact CB-CD1 4.02Å; L1097-L1101 HydrophobicContact CB-CG 4.11Å; L1097-L1101 WeakPolarHBondContact O-CB 3.43Å; L1097-L1101 VanDerWaalsContact O-CG 3.3Å; L1097-L1101 WeakPolarHBondContact O-CG 3.4Å; L1097-L1101 PolarHBondContact O-N 3.49Å; L1097-P1121 HydrophobicContact CD1-CB 3.29Å; L1097-P1121 HydrophobicContact CD1-CG 4Å; L1097-M1126 HydrophobicContact CD1-CG 3.95Å | ||
| 1098 | A | 90.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.7 | -45.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1096 A1100 L1102 L1132 L1133 | N1096-A1098 PolarHBondContact OD1-N 2.98Å; A1098-A1100 VanDerWaalsContact C-N 3.35Å; A1098-A1100 PolarHBondContact O-N 3Å; A1098-L1102 WeakPolarHBondContact O-CB 3.36Å; A1098-L1102 PolarHBondContact O-N 2.87Å; A1098-L1132 HydrophobicContact CB-CD2 3.98Å; A1098-L1133 HydrophobicContact CB-CD2 4.29Å; A1098-L1133 HydrophobicContact CB-CG 4.23Å |
| 1099 | P | 89.4 | Confident | 88.8 | Confident | 51 Ų | 51 | 25.9 Ų | 25.9 | 33% | 0.331 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 175.7 | -19.5 | 32.3 | 0 | 0 | 0 | 113.2 | Q1103 P1160 | P1099-Q1103 WeakPolarHBondContact O-CG 3.26Å; P1099-Q1103 PolarHBondContact O-N 2.93Å; P1099-Q1103 VanDerWaalsContact O-N 3.13Å; P1099-P1160 HydrophobicContact CG-CG 4.45Å |
| 1100 | A | 89.6 | Confident | 88.7 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 7% | 0.066 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.3 | -45.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V838 I842 L1097 A1098 Q1103 L1104 | V838-A1100 HydrophobicContact CG1-CB 3.72Å; I842-A1100 HydrophobicContact CD1-CB 3.63Å; L1097-A1100 HydrophobicContact CD2-CB 4.42Å; L1097-A1100 WeakPolarHBondContact O-CB 3.36Å; L1097-A1100 PolarHBondContact O-N 2.82Å; A1098-A1100 VanDerWaalsContact C-N 3.35Å; A1098-A1100 PolarHBondContact O-N 3Å; A1100-Q1103 PolarHBondContact O-N 3.04Å; A1100-L1104 WeakPolarHBondContact O-CG 3.11Å; A1100-L1104 PolarHBondContact O-N 3.18Å |
| 1101 | L | 92.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.4 | -67.2 | 170.2 | 0 | 0 | 0 | 111.5 | L1097 Q1103 L1104 K1105 V1112 L1130 L1133 | L1097-L1101 HydrophobicContact CB-CD1 4.02Å; L1097-L1101 HydrophobicContact CB-CG 4.11Å; L1097-L1101 WeakPolarHBondContact O-CB 3.43Å; L1097-L1101 VanDerWaalsContact O-CG 3.3Å; L1097-L1101 WeakPolarHBondContact O-CG 3.4Å; L1097-L1101 PolarHBondContact O-N 3.49Å; L1101-Q1103 VanDerWaalsContact C-N 3.33Å; L1101-Q1103 PolarHBondContact O-N 3.38Å; L1101-L1104 PolarHBondContact O-N 2.8Å; L1101-K1105 WeakPolarHBondContact O-CB 3.12Å; L1101-K1105 WeakPolarHBondContact O-CG 3.4Å; L1101-K1105 PolarHBondContact O-N 3.15Å; L1101-V1112 HydrophobicContact CD2-CB 3.93Å; L1101-V1112 HydrophobicContact CD2-CG1 4.17Å; L1101-V1112 HydrophobicContact CD2-CG2 4.02Å; L1101-L1130 HydrophobicContact CD1-CD2 4.23Å; L1101-L1130 HydrophobicContact CD1-CG 4.09Å; L1101-L1133 HydrophobicContact CB-CD1 3.98Å |
| 1102 | L | 91.9 | Very high | 88.7 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.6 | -177 | 68 | 0 | 0 | 0 | 111.3 | A1098 K1105 S1106 L1133 A1138 L1145 I1153 A1154 P1160 | A1098-L1102 WeakPolarHBondContact O-CB 3.36Å; A1098-L1102 PolarHBondContact O-N 2.87Å; L1102-K1105 PolarHBondContact O-N 2.94Å; L1102-S1106 WeakPolarHBondContact O-CB 3.37Å; L1102-S1106 PolarHBondContact O-N 3.15Å; L1102-S1106 PolarHBondContact O-OG 3.33Å; L1102-L1133 HydrophobicContact CB-CD1 4.07Å; L1102-L1133 HydrophobicContact CB-CD2 4.01Å; L1102-L1133 HydrophobicContact CD1-CD2 4.19Å; L1102-L1133 HydrophobicContact CD2-CD2 4.47Å; L1102-L1133 HydrophobicContact CG-CD2 4.46Å; L1102-A1138 HydrophobicContact CD1-CB 4.12Å; L1102-L1145 HydrophobicContact CD1-CD2 3.6Å; L1102-I1153 HydrophobicContact CD2-CB 4.42Å; L1102-I1153 HydrophobicContact CD2-CG2 3.56Å; L1102-A1154 HydrophobicContact CD1-CB 4.12Å; L1102-A1154 HydrophobicContact CD2-CB 4.2Å; L1102-A1154 HydrophobicContact CG-CB 3.91Å; L1102-P1160 HydrophobicContact CD2-CB 4.32Å; L1102-P1160 HydrophobicContact CD2-CG 3.88Å |
| 1103 | Q | 87.8 | Confident | 88.6 | Confident | 49 Ų | 49 | 36.1 Ų | 36.1 | 23% | 0.229 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 175.5 | -73.8 | 174.8 | 1.1 | 0 | 0 | 111.8 | P1099 A1100 L1101 K1105 S1106 L1107 | P1099-Q1103 WeakPolarHBondContact O-CG 3.26Å; P1099-Q1103 PolarHBondContact O-N 2.93Å; P1099-Q1103 VanDerWaalsContact O-N 3.13Å; A1100-Q1103 PolarHBondContact O-N 3.04Å; L1101-Q1103 VanDerWaalsContact C-N 3.33Å; L1101-Q1103 PolarHBondContact O-N 3.38Å; Q1103-K1105 PolarHBondContact O-N 3.3Å; Q1103-S1106 WeakPolarHBondContact CA-OG 3.1Å; Q1103-S1106 PolarHBondContact O-N 3.36Å; Q1103-S1106 PolarHBondContact O-OG 3.49Å; Q1103-L1107 WeakPolarHBondContact O-CG 3.09Å; Q1103-L1107 PolarHBondContact O-N 3.42Å |
| 1104 | L | 91 | Very high | 88.5 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 177.1 | -72.8 | 173.7 | 0 | 0 | 0 | 112.1 | I842 A1100 L1101 S1106 L1107 V1109 V1112 F1115 Y1117 | I842-L1104 HydrophobicContact CD1-CG 4.48Å; I842-L1104 HydrophobicContact CG2-CD2 4.08Å; A1100-L1104 WeakPolarHBondContact O-CG 3.11Å; A1100-L1104 PolarHBondContact O-N 3.18Å; L1101-L1104 PolarHBondContact O-N 2.8Å; L1104-S1106 VanDerWaalsContact C-N 3.34Å; L1104-S1106 PolarHBondContact O-N 2.95Å; L1104-L1107 WeakPolarHBondContact O-CB 3.09Å; L1104-L1107 PolarHBondContact O-N 2.93Å; L1104-V1109 HydrophobicContact CB-CB 4.22Å; L1104-V1109 HydrophobicContact CD2-CG2 4.28Å; L1104-V1109 VanDerWaalsContact O-CB 3.25Å; L1104-V1109 WeakPolarHBondContact O-CB 3.3Å; L1104-V1109 WeakPolarHBondContact O-CG2 3Å; L1104-V1109 PolarHBondContact O-N 3.19Å; L1104-V1112 HydrophobicContact CB-CG1 4.2Å; L1104-F1115 HydrophobicContact CD1-CD1 4.44Å; L1104-F1115 HydrophobicContact CD2-CD1 4.4Å; L1104-F1115 HydrophobicContact CD2-CD2 4.02Å; L1104-F1115 HydrophobicContact CD2-CE1 4.11Å; L1104-F1115 HydrophobicContact CD2-CE2 3.72Å; L1104-F1115 HydrophobicContact CD2-CG 4.34Å; L1104-F1115 HydrophobicContact CD2-CZ 3.75Å; L1104-Y1117 HydrophobicContact CD1-CE1 4.26Å; L1104-Y1117 WeakPolarHBondContact CD1-OH 3.36Å |
| 1105 | K | 91.1 | Very high | 88.7 | Confident | 29 Ų | 29 | 39.3 Ų | 39.3 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 175.3 | -73.6 | -72.8 | -172.4 | 170.8 | 0 | 111.6 | L1101 L1102 Q1103 L1107 G1108 D1110 V1112 G1143 L1145 | L1101-K1105 WeakPolarHBondContact O-CB 3.12Å; L1101-K1105 WeakPolarHBondContact O-CG 3.4Å; L1101-K1105 PolarHBondContact O-N 3.15Å; L1102-K1105 PolarHBondContact O-N 2.94Å; Q1103-K1105 PolarHBondContact O-N 3.3Å; K1105-L1107 PolarHBondContact O-N 3.02Å; K1105-G1108 PolarHBondContact O-N 3.06Å; K1105-D1110 PolarHBondContact NZ-O 3.03Å; K1105-V1112 HydrophobicContact CD-CG1 4.27Å; K1105-V1112 HydrophobicContact CG-CG1 4.25Å; K1105-G1143 WeakPolarHBondContact CE-O 3.3Å; K1105-G1143 PolarHBondContact NZ-O 3.41Å; K1105-L1145 HydrophobicContact CB-CD1 4.21Å; K1105-L1145 HydrophobicContact CB-CD2 4.43Å; K1105-L1145 HydrophobicContact CB-CG 4.03Å |
| 1106 | S | 88.1 | Confident | 89 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -20.8 | 177.2 | 71.2 | 0 | 0 | 0 | 0 | 114.4 | M817 L1102 Q1103 L1104 G1108 | M817-S1106 WeakPolarHBondContact CE-OG 3.34Å; L1102-S1106 WeakPolarHBondContact O-CB 3.37Å; L1102-S1106 PolarHBondContact O-N 3.15Å; L1102-S1106 PolarHBondContact O-OG 3.33Å; Q1103-S1106 WeakPolarHBondContact CA-OG 3.1Å; Q1103-S1106 PolarHBondContact O-N 3.36Å; Q1103-S1106 PolarHBondContact O-OG 3.49Å; L1104-S1106 VanDerWaalsContact C-N 3.34Å; L1104-S1106 PolarHBondContact O-N 2.95Å; S1106-G1108 VanDerWaalsContact C-N 3.28Å |
| 1107 | L | 87.4 | Confident | 89.3 | Confident | 40 Ų | 40 | 41.4 Ų | 41.4 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.2 | 172.1 | -75.3 | 164.2 | 0 | 0 | 0 | 113.2 | I816 M817 L846 Q1103 L1104 K1105 V1109 | I816-L1107 HydrophobicContact CG2-CD2 3.92Å; M817-L1107 HydrophobicContact CB-CD2 4.05Å; M817-L1107 HydrophobicContact CG-CD1 4.32Å; M817-L1107 HydrophobicContact CG-CD2 3.49Å; M817-L1107 VanDerWaalsContact CG-CD2 3.49Å; M817-L1107 HydrophobicContact CG-CG 3.78Å; L846-L1107 HydrophobicContact CD1-CD1 3.54Å; L846-L1107 HydrophobicContact CD2-CD1 3.83Å; L846-L1107 HydrophobicContact CG-CD1 4.33Å; Q1103-L1107 WeakPolarHBondContact O-CG 3.09Å; Q1103-L1107 PolarHBondContact O-N 3.42Å; L1104-L1107 WeakPolarHBondContact O-CB 3.09Å; L1104-L1107 PolarHBondContact O-N 2.93Å; K1105-L1107 PolarHBondContact O-N 3.02Å; L1107-V1109 HydrophobicContact CB-CG2 4.48Å |
| 1108 | G | 85.8 | Confident | 89.3 | Confident | 49 Ų | 49 | 42.2 Ų | 42.2 | 51% | 0.505 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 24.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1105 S1106 D1110 | K1105-G1108 PolarHBondContact O-N 3.06Å; S1106-G1108 VanDerWaalsContact C-N 3.28Å; G1108-D1110 PolarHBondContact O-N 3.45Å |
| 1109 | V | 88.6 | Confident | 89.2 | Confident | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | trans | -85.4 | 87.7 | 170.3 | -175 | 0 | 0 | 0 | 0 | 108.9 | L1104 L1107 F1115 | L1104-V1109 HydrophobicContact CB-CB 4.22Å; L1104-V1109 HydrophobicContact CD2-CG2 4.28Å; L1104-V1109 VanDerWaalsContact O-CB 3.25Å; L1104-V1109 WeakPolarHBondContact O-CB 3.3Å; L1104-V1109 WeakPolarHBondContact O-CG2 3Å; L1104-V1109 PolarHBondContact O-N 3.19Å; L1107-V1109 HydrophobicContact CB-CG2 4.48Å; V1109-F1115 HydrophobicContact CG1-CB 4.19Å; V1109-F1115 HydrophobicContact CG1-CD2 3.9Å; V1109-F1115 HydrophobicContact CG1-CG 4.44Å; V1109-F1115 HydrophobicContact CG2-CD2 4.18Å; V1109-F1115 HydrophobicContact CG2-CE2 4.39Å | ||
| 1110 | D | 85.5 | Confident | 89.2 | Confident | 120 Ų | 120 | 49.9 Ų | 49.9 | 64% | 0.642 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -62.8 | -49.9 | -178 | -52.7 | -34.7 | 0 | 0 | 0 | 111.3 | K1105 G1108 V1112 | K1105-D1110 PolarHBondContact NZ-O 3.03Å; G1108-D1110 PolarHBondContact O-N 3.45Å; D1110-V1112 PolarHBondContact O-N 2.91Å |
| 1111 | N | 87.5 | Confident | 89.2 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | trans | -95.5 | 83.4 | 179.2 | -164.6 | -32.3 | 0 | 0 | 0 | 111.3 | L1113 K1114 F1115 | N1111-L1113 PolarHBondContact O-N 2.85Å; N1111-L1113 WeakPolarHBondContact OD1-CB 3.47Å; N1111-L1113 PolarHBondContact OD1-N 2.95Å; N1111-K1114 HydrophobicContact CB-CB 4.29Å; N1111-K1114 PolarHBondContact O-N 3.41Å; N1111-K1114 VanDerWaalsContact O-N 3.15Å; N1111-K1114 PolarHBondContact OD1-N 2.94Å; N1111-F1115 PolarHBondContact O-N 3.41Å | ||
| 1112 | V | 90.5 | Very high | 89 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -60.8 | -22.6 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | L1101 L1104 K1105 D1110 Y1117 L1130 | L1101-V1112 HydrophobicContact CD2-CB 3.93Å; L1101-V1112 HydrophobicContact CD2-CG1 4.17Å; L1101-V1112 HydrophobicContact CD2-CG2 4.02Å; L1104-V1112 HydrophobicContact CB-CG1 4.2Å; K1105-V1112 HydrophobicContact CD-CG1 4.27Å; K1105-V1112 HydrophobicContact CG-CG1 4.25Å; D1110-V1112 PolarHBondContact O-N 2.91Å; V1112-Y1117 VanDerWaalsContact O-CE2 3.24Å; V1112-Y1117 WeakPolarHBondContact O-CE2 3.42Å; V1112-Y1117 PolarHBondContact O-OH 2.96Å; V1112-L1130 HydrophobicContact CG2-CD1 4.43Å |
| 1113 | L | 87.4 | Confident | 88.8 | Confident | 113 Ų | 113 | 55.2 Ų | 55.2 | 59% | 0.592 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -74.9 | -32.8 | 177 | -59.7 | 172.6 | 0 | 0 | 0 | 112.2 | N1111 M1126 | N1111-L1113 PolarHBondContact O-N 2.85Å; N1111-L1113 WeakPolarHBondContact OD1-CB 3.47Å; N1111-L1113 PolarHBondContact OD1-N 2.95Å; L1113-M1126 HydrophobicContact CD2-CE 3.63Å; L1113-M1126 HydrophobicContact CD2-SD 3.66Å |
| 1114 | K | 88 | Confident | 88.7 | Confident | 167 Ų | 167 | 56.2 Ų | 56.2 | 73% | 0.726 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -91.2 | 5.5 | 176.9 | -69.5 | -172.3 | -179.5 | -178.6 | 0 | 113.3 | N1111 | N1111-K1114 HydrophobicContact CB-CB 4.29Å; N1111-K1114 PolarHBondContact O-N 3.41Å; N1111-K1114 VanDerWaalsContact O-N 3.15Å; N1111-K1114 PolarHBondContact OD1-N 2.94Å |
| 1115 | F | 91.7 | Very high | 88.5 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -64.3 | 144.2 | 173.6 | -176.7 | -99.2 | 0 | 0 | 0 | 110.8 | G845 L846 K849 L1104 V1109 N1111 Y1117 | G845-F1115 VanDerWaalsContact C-CZ 3.47Å; L846-F1115 HydrophobicContact CD2-CE2 3.93Å; L846-F1115 HydrophobicContact CD2-CZ 4.22Å; L846-F1115 HydrophobicContact CG-CE2 4.34Å; L846-F1115 HydrophobicContact CG-CZ 4.13Å; K849-F1115 HydrophobicContact CD-CE2 4.48Å; L1104-F1115 HydrophobicContact CD1-CD1 4.44Å; L1104-F1115 HydrophobicContact CD2-CD1 4.4Å; L1104-F1115 HydrophobicContact CD2-CD2 4.02Å; L1104-F1115 HydrophobicContact CD2-CE1 4.11Å; L1104-F1115 HydrophobicContact CD2-CE2 3.72Å; L1104-F1115 HydrophobicContact CD2-CG 4.34Å; L1104-F1115 HydrophobicContact CD2-CZ 3.75Å; V1109-F1115 HydrophobicContact CG1-CB 4.19Å; V1109-F1115 HydrophobicContact CG1-CD2 3.9Å; V1109-F1115 HydrophobicContact CG1-CG 4.44Å; V1109-F1115 HydrophobicContact CG2-CD2 4.18Å; V1109-F1115 HydrophobicContact CG2-CE2 4.39Å; N1111-F1115 PolarHBondContact O-N 3.41Å; F1115-Y1117 HydrophobicContact CB-CD2 4.39Å; F1115-Y1117 HydrophobicContact CB-CE2 3.77Å; F1115-Y1117 AromaticContact CD1-CD1 3.69Å; F1115-Y1117 HydrophobicContact CD1-CD1 3.69Å; F1115-Y1117 HydrophobicContact CD1-CD2 4.16Å; F1115-Y1117 AromaticContact CD1-CE1 3.47Å; F1115-Y1117 HydrophobicContact CD1-CE1 3.47Å; F1115-Y1117 VanDerWaalsContact CD1-CE1 3.47Å; F1115-Y1117 AromaticContact CD1-CE2 3.96Å; F1115-Y1117 HydrophobicContact CD1-CE2 3.96Å; F1115-Y1117 HydrophobicContact CD1-CG 4.03Å; F1115-Y1117 AromaticContact CD1-CZ 3.61Å; F1115-Y1117 HydrophobicContact CE1-CD1 4.13Å; F1115-Y1117 HydrophobicContact CE1-CE1 4.07Å; F1115-Y1117 HydrophobicContact CG-CE1 4.43Å; F1115-Y1117 HydrophobicContact CG-CE2 4.38Å; F1115-Y1117 WeakPolarHBondContact O-CD2 3.22Å; F1115-Y1117 PolarHBondContact O-N 3.06Å |
| 1116 | H | 90.8 | Very high | 88.4 | Confident | 79 Ų | 79 | 56 Ų | 56 | 37% | 0.366 | 29% | 0.293 | S | S | . | . | trans | -77.4 | 87.7 | -179.8 | -62.6 | 103.8 | 0 | 0 | 0 | 109.8 | G845 F874 | G845-H1116 VanDerWaalsContact CA-O 3.24Å; G845-H1116 WeakPolarHBondContact CA-O 3.21Å; F874-H1116 HydrophobicContact CE2-CB 4.15Å; F874-H1116 HydrophobicContact CZ-CB 4.07Å; F874-H1116 WeakPolarHBondContact CZ-O 3.48Å | ||
| 1117 | Y | 90.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 59 Ų | 59 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | trans | -84.9 | 139.7 | 167.5 | -55.3 | -80.3 | 0 | 0 | 0 | 110 | I1092 L1104 V1112 F1115 S1119 P1121 | I1092-Y1117 HydrophobicContact CD1-CD1 3.48Å; I1092-Y1117 VanDerWaalsContact CD1-CD1 3.48Å; I1092-Y1117 HydrophobicContact CD1-CE1 3.72Å; L1104-Y1117 HydrophobicContact CD1-CE1 4.26Å; L1104-Y1117 WeakPolarHBondContact CD1-OH 3.36Å; V1112-Y1117 VanDerWaalsContact O-CE2 3.24Å; V1112-Y1117 WeakPolarHBondContact O-CE2 3.42Å; V1112-Y1117 PolarHBondContact O-OH 2.96Å; F1115-Y1117 HydrophobicContact CB-CD2 4.39Å; F1115-Y1117 HydrophobicContact CB-CE2 3.77Å; F1115-Y1117 AromaticContact CD1-CD1 3.69Å; F1115-Y1117 HydrophobicContact CD1-CD1 3.69Å; F1115-Y1117 HydrophobicContact CD1-CD2 4.16Å; F1115-Y1117 AromaticContact CD1-CE1 3.47Å; F1115-Y1117 HydrophobicContact CD1-CE1 3.47Å; F1115-Y1117 VanDerWaalsContact CD1-CE1 3.47Å; F1115-Y1117 AromaticContact CD1-CE2 3.96Å; F1115-Y1117 HydrophobicContact CD1-CE2 3.96Å; F1115-Y1117 HydrophobicContact CD1-CG 4.03Å; F1115-Y1117 AromaticContact CD1-CZ 3.61Å; F1115-Y1117 HydrophobicContact CE1-CD1 4.13Å; F1115-Y1117 HydrophobicContact CE1-CE1 4.07Å; F1115-Y1117 HydrophobicContact CG-CE1 4.43Å; F1115-Y1117 HydrophobicContact CG-CE2 4.38Å; F1115-Y1117 WeakPolarHBondContact O-CD2 3.22Å; F1115-Y1117 PolarHBondContact O-N 3.06Å; Y1117-S1119 WeakPolarHBondContact CB-O 3.36Å; Y1117-P1121 HydrophobicContact CE1-CG 4.36Å; Y1117-P1121 HydrophobicContact CE2-CG 4.28Å | ||
| 1118 | I | 89.3 | Confident | 88.3 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -66.7 | -47.7 | 167.7 | -172.7 | 171 | 0 | 0 | 0 | 109.8 | D841 L844 E870 F871 F874 | D841-I1118 HydrophobicContact CB-CG2 4.28Å; D841-I1118 VanDerWaalsContact CG-CG2 3.4Å; D841-I1118 WeakPolarHBondContact OD1-CG2 3.13Å; D841-I1118 VanDerWaalsContact OD2-CG2 3.22Å; D841-I1118 WeakPolarHBondContact OD2-CG2 3.22Å; L844-I1118 HydrophobicContact CD1-CG2 4.49Å; E870-I1118 HydrophobicContact CG-CD1 4.15Å; E870-I1118 HydrophobicContact CG-CG1 4.06Å; F871-I1118 HydrophobicContact CD1-CD1 3.48Å; F871-I1118 VanDerWaalsContact CD1-CD1 3.48Å; F871-I1118 HydrophobicContact CE1-CD1 3.36Å; F871-I1118 HydrophobicContact CG-CD1 4.44Å; F871-I1118 HydrophobicContact CZ-CD1 4.26Å; F874-I1118 HydrophobicContact CD2-CB 4.11Å; F874-I1118 HydrophobicContact CD2-CG1 4.38Å; F874-I1118 HydrophobicContact CE2-CB 4.18Å; F874-I1118 HydrophobicContact CG-CB 4.49Å |
| 1119 | S | 88 | Confident | 88.4 | Confident | 18 Ų | 18 | 59 Ų | 59 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -116.7 | 116.8 | 166.7 | -73.8 | 0 | 0 | 0 | 0 | 110.2 | R836 I1092 Y1117 | R836-S1119 PolarHBondContact NH2-OG 3.36Å; I1092-S1119 WeakPolarHBondContact CG2-O 3.02Å; Y1117-S1119 WeakPolarHBondContact CB-O 3.36Å |
| 1120 | R | 90.2 | Very high | 88.6 | Confident | 196 Ų | 196 | 60.6 Ų | 60.6 | 74% | 0.74 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 132 | -178.8 | -66.8 | -178.5 | -177 | 167.9 | 1.6 | 110.4 | Q1093 | Q1093-R1120 PolarHBondContact NE2-O 3.37Š|
| 1121 | P | 89.9 | Confident | 88.7 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 151.6 | 171.3 | 24 | -32 | 0 | 0 | 0 | 111.6 | I1092 L1097 Y1117 M1126 | I1092-P1121 HydrophobicContact CG1-CB 4.34Å; L1097-P1121 HydrophobicContact CD1-CB 3.29Å; L1097-P1121 HydrophobicContact CD1-CG 4Å; Y1117-P1121 HydrophobicContact CE1-CG 4.36Å; Y1117-P1121 HydrophobicContact CE2-CG 4.28Å; P1121-M1126 HydrophobicContact CB-CG 4.08Å; P1121-M1126 HydrophobicContact CB-SD 4.48Å; P1121-M1126 HydrophobicContact CG-CE 4.23Å; P1121-M1126 HydrophobicContact CG-CG 3.75Å; P1121-M1126 HydrophobicContact CG-SD 3.61Å |
| 1122 | P | 88.3 | Confident | 88.8 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 24% | 0.24 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 140.8 | 170.7 | -23.8 | 32.6 | 0 | 0 | 0 | 111.9 | F1124 S1125 M1126 | P1122-F1124 VanDerWaalsContact C-N 3.3Å; P1122-F1124 HydrophobicContact CB-CD1 3.5Å; P1122-F1124 VanDerWaalsContact CB-CD1 3.5Å; P1122-F1124 HydrophobicContact CB-CE1 3.35Å; P1122-F1124 HydrophobicContact CB-CZ 4.27Å; P1122-F1124 HydrophobicContact CG-CE1 3.93Å; P1122-F1124 PolarHBondContact O-N 3.21Å; P1122-S1125 PolarHBondContact O-N 3.45Å; P1122-M1126 PolarHBondContact O-N 3.24Å |
| 1123 | S | 87.4 | Confident | 88.9 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 58% | 0.58 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.7 | -41.5 | 179 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | S1125 M1126 I1127 | S1123-S1125 PolarHBondContact O-N 3.19Å; S1123-M1126 PolarHBondContact O-N 3.36Å; S1123-I1127 VanDerWaalsContact O-CG1 3.3Å; S1123-I1127 WeakPolarHBondContact O-CG1 3.37Å; S1123-I1127 PolarHBondContact O-N 3.07Å |
| 1124 | F | 85.5 | Confident | 89.2 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 31% | 0.307 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 178.5 | 83.3 | -93.3 | 0 | 0 | 0 | 111.8 | V1021 P1023 P1122 M1126 I1127 R1128 | V1021-F1124 HydrophobicContact CG1-CE2 4.44Å; P1023-F1124 HydrophobicContact CB-CE1 4.38Å; P1023-F1124 HydrophobicContact CB-CE2 4.15Å; P1023-F1124 HydrophobicContact CB-CZ 3.92Å; P1023-F1124 HydrophobicContact CG-CZ 4.31Å; P1122-F1124 VanDerWaalsContact C-N 3.3Å; P1122-F1124 HydrophobicContact CB-CD1 3.5Å; P1122-F1124 VanDerWaalsContact CB-CD1 3.5Å; P1122-F1124 HydrophobicContact CB-CE1 3.35Å; P1122-F1124 HydrophobicContact CB-CZ 4.27Å; P1122-F1124 HydrophobicContact CG-CE1 3.93Å; P1122-F1124 PolarHBondContact O-N 3.21Å; F1124-M1126 VanDerWaalsContact C-N 3.32Å; F1124-M1126 PolarHBondContact O-N 3.1Å; F1124-I1127 PolarHBondContact O-N 3.16Å; F1124-R1128 WeakPolarHBondContact O-CB 3.13Å; F1124-R1128 WeakPolarHBondContact O-CG 3.38Å; F1124-R1128 PolarHBondContact O-N 3.28Å |
| 1125 | S | 86.9 | Confident | 89.3 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | P1122 S1123 G1129 | P1122-S1125 PolarHBondContact O-N 3.45Å; S1123-S1125 PolarHBondContact O-N 3.19Å; S1125-G1129 PolarHBondContact O-N 2.92Å |
| 1126 | M | 88.8 | Confident | 89.3 | Confident | 20 Ų | 20 | 49 Ų | 49 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -46.8 | 174.8 | -70.9 | -170 | -75.4 | 0 | 0 | 111.8 | L1097 L1113 P1121 P1122 S1123 F1124 G1129 L1130 | L1097-M1126 HydrophobicContact CD1-CG 3.95Å; L1113-M1126 HydrophobicContact CD2-CE 3.63Å; L1113-M1126 HydrophobicContact CD2-SD 3.66Å; P1121-M1126 HydrophobicContact CB-CG 4.08Å; P1121-M1126 HydrophobicContact CB-SD 4.48Å; P1121-M1126 HydrophobicContact CG-CE 4.23Å; P1121-M1126 HydrophobicContact CG-CG 3.75Å; P1121-M1126 HydrophobicContact CG-SD 3.61Å; P1122-M1126 PolarHBondContact O-N 3.24Å; S1123-M1126 PolarHBondContact O-N 3.36Å; F1124-M1126 VanDerWaalsContact C-N 3.32Å; F1124-M1126 PolarHBondContact O-N 3.1Å; M1126-G1129 PolarHBondContact O-N 3.35Å; M1126-L1130 WeakPolarHBondContact O-CG 3.33Å; M1126-L1130 PolarHBondContact O-N 3.04Å |
| 1127 | I | 88.7 | Confident | 89.5 | Confident | 93 Ų | 93 | 46.1 Ų | 46.1 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 178.7 | -67.9 | 164.3 | 0 | 0 | 0 | 110 | S1123 F1124 G1129 L1130 E1131 | S1123-I1127 VanDerWaalsContact O-CG1 3.3Å; S1123-I1127 WeakPolarHBondContact O-CG1 3.37Å; S1123-I1127 PolarHBondContact O-N 3.07Å; F1124-I1127 PolarHBondContact O-N 3.16Å; I1127-G1129 VanDerWaalsContact C-N 3.29Å; I1127-G1129 PolarHBondContact O-N 3.47Å; I1127-L1130 PolarHBondContact O-N 2.64Å; I1127-L1130 VanDerWaalsContact O-N 3.16Å; I1127-E1131 HydrophobicContact CG2-CG 4.22Å; I1127-E1131 WeakPolarHBondContact CG2-OE1 3.42Å; I1127-E1131 WeakPolarHBondContact O-CB 3.45Å; I1127-E1131 WeakPolarHBondContact O-CG 3.01Å; I1127-E1131 PolarHBondContact O-N 3.42Å |
| 1128 | R | 85.2 | Confident | 89.6 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 33% | 0.328 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 177.8 | -69 | -55.7 | -162.5 | -179.6 | 9.1 | 112.6 | F1124 E1131 L1132 E1305 | F1124-R1128 WeakPolarHBondContact O-CB 3.13Å; F1124-R1128 WeakPolarHBondContact O-CG 3.38Å; F1124-R1128 PolarHBondContact O-N 3.28Å; R1128-E1131 VanDerWaalsContact CD-OE2 3.31Å; R1128-E1131 WeakPolarHBondContact CD-OE2 3.12Å; R1128-E1131 IonicContact CZ-OE2 3.95Å; R1128-E1131 IonicContact NH1-OE2 2.76Å; R1128-E1131 PolarHBondContact NH1-OE2 3.13Å; R1128-L1132 WeakPolarHBondContact O-CB 3.4Å; R1128-L1132 PolarHBondContact O-N 3.25Å; R1128-E1305 IonicContact CZ-OE1 3.44Å; R1128-E1305 IonicContact NH2-OE1 3.76Å; R1128-E1305 PolarHBondContact NH2-OE1 3.35Å |
| 1129 | G | 89 | Confident | 89.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1125 M1126 I1127 L1133 | S1125-G1129 PolarHBondContact O-N 2.92Å; M1126-G1129 PolarHBondContact O-N 3.35Å; I1127-G1129 VanDerWaalsContact C-N 3.29Å; I1127-G1129 PolarHBondContact O-N 3.47Å; G1129-L1133 WeakPolarHBondContact O-CG 3.33Å; G1129-L1133 PolarHBondContact O-N 3.32Å; G1129-L1133 VanDerWaalsContact O-N 3.08Å |
| 1130 | L | 91 | Very high | 90.1 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 176.3 | -68.5 | 173.2 | 0 | 0 | 0 | 112.2 | L1101 V1112 M1126 I1127 L1132 L1133 R1134 I1139 | L1101-L1130 HydrophobicContact CD1-CD2 4.23Å; L1101-L1130 HydrophobicContact CD1-CG 4.09Å; V1112-L1130 HydrophobicContact CG2-CD1 4.43Å; M1126-L1130 WeakPolarHBondContact O-CG 3.33Å; M1126-L1130 PolarHBondContact O-N 3.04Å; I1127-L1130 PolarHBondContact O-N 2.64Å; I1127-L1130 VanDerWaalsContact O-N 3.16Å; L1130-L1132 VanDerWaalsContact C-N 3.3Å; L1130-L1132 PolarHBondContact O-N 2.86Å; L1130-L1133 PolarHBondContact O-N 2.96Å; L1130-R1134 WeakPolarHBondContact O-CB 3.36Å; L1130-R1134 PolarHBondContact O-N 2.87Å; L1130-I1139 HydrophobicContact CB-CD1 4.38Å; L1130-I1139 HydrophobicContact CD2-CD1 3.91Å |
| 1131 | E | 88.7 | Confident | 90.1 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56 | -44.8 | 174.7 | -76.1 | 176.8 | 176 | 0 | 0 | 111.5 | I1127 R1128 R1134 A1135 | I1127-E1131 HydrophobicContact CG2-CG 4.22Å; I1127-E1131 WeakPolarHBondContact CG2-OE1 3.42Å; I1127-E1131 WeakPolarHBondContact O-CB 3.45Å; I1127-E1131 WeakPolarHBondContact O-CG 3.01Å; I1127-E1131 PolarHBondContact O-N 3.42Å; R1128-E1131 VanDerWaalsContact CD-OE2 3.31Å; R1128-E1131 WeakPolarHBondContact CD-OE2 3.12Å; R1128-E1131 IonicContact CZ-OE2 3.95Å; R1128-E1131 IonicContact NH1-OE2 2.76Å; R1128-E1131 PolarHBondContact NH1-OE2 3.13Å; E1131-R1134 PolarHBondContact O-N 3.47Å; E1131-A1135 WeakPolarHBondContact O-CB 2.8Å; E1131-A1135 PolarHBondContact O-N 2.89Å |
| 1132 | L | 89.3 | Confident | 90.1 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177.4 | 179.5 | 60.4 | 0 | 0 | 0 | 111.8 | A1098 R1128 L1130 R1134 A1135 L1136 M1161 F1288 | A1098-L1132 HydrophobicContact CB-CD2 3.98Å; R1128-L1132 WeakPolarHBondContact O-CB 3.4Å; R1128-L1132 PolarHBondContact O-N 3.25Å; L1130-L1132 VanDerWaalsContact C-N 3.3Å; L1130-L1132 PolarHBondContact O-N 2.86Å; L1132-R1134 VanDerWaalsContact C-N 3.33Å; L1132-R1134 PolarHBondContact O-N 3.09Å; L1132-A1135 PolarHBondContact O-N 3.02Å; L1132-L1136 HydrophobicContact CD1-CD1 4.18Å; L1132-L1136 HydrophobicContact CD1-CG 4.29Å; L1132-L1136 HydrophobicContact CG-CD1 3.99Å; L1132-L1136 WeakPolarHBondContact O-CB 3.43Å; L1132-L1136 VanDerWaalsContact O-CG 3.26Å; L1132-L1136 WeakPolarHBondContact O-CG 2.96Å; L1132-L1136 PolarHBondContact O-N 3.2Å; L1132-M1161 HydrophobicContact CD2-SD 4.22Å; L1132-F1288 HydrophobicContact CD1-CZ 4.46Å |
| 1133 | L | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.2 | -70.6 | 177.5 | 0 | 0 | 0 | 112.1 | A1098 L1101 L1102 G1129 L1130 L1136 G1137 A1138 I1139 P1160 | A1098-L1133 HydrophobicContact CB-CD2 4.29Å; A1098-L1133 HydrophobicContact CB-CG 4.23Å; L1101-L1133 HydrophobicContact CB-CD1 3.98Å; L1102-L1133 HydrophobicContact CB-CD1 4.07Å; L1102-L1133 HydrophobicContact CB-CD2 4.01Å; L1102-L1133 HydrophobicContact CD1-CD2 4.19Å; L1102-L1133 HydrophobicContact CD2-CD2 4.47Å; L1102-L1133 HydrophobicContact CG-CD2 4.46Å; G1129-L1133 WeakPolarHBondContact O-CG 3.33Å; G1129-L1133 PolarHBondContact O-N 3.32Å; G1129-L1133 VanDerWaalsContact O-N 3.08Å; L1130-L1133 PolarHBondContact O-N 2.96Å; L1133-L1136 PolarHBondContact O-N 3Å; L1133-G1137 PolarHBondContact O-N 3.18Å; L1133-A1138 HydrophobicContact CB-CB 4.42Å; L1133-A1138 HydrophobicContact CD2-CB 4.18Å; L1133-A1138 WeakPolarHBondContact O-CB 3.43Å; L1133-A1138 PolarHBondContact O-N 2.84Å; L1133-I1139 HydrophobicContact CB-CD1 3.91Å; L1133-I1139 HydrophobicContact CB-CG1 3.9Å; L1133-I1139 HydrophobicContact CB-CG2 4.48Å; L1133-I1139 PolarHBondContact O-N 2.91Å; L1133-P1160 HydrophobicContact CD2-CB 4.02Å; L1133-P1160 HydrophobicContact CD2-CG 4.03Å |
| 1134 | R | 93.1 | Very high | 90.3 | Very high | 128 Ų | 128 | 49.9 Ų | 49.9 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 174.2 | -175.8 | -177.8 | 175.4 | -150.8 | -1.6 | 110.5 | L1130 E1131 L1132 L1136 G1137 I1139 D1141 | L1130-R1134 WeakPolarHBondContact O-CB 3.36Å; L1130-R1134 PolarHBondContact O-N 2.87Å; E1131-R1134 PolarHBondContact O-N 3.47Å; L1132-R1134 VanDerWaalsContact C-N 3.33Å; L1132-R1134 PolarHBondContact O-N 3.09Å; R1134-L1136 VanDerWaalsContact C-N 3.28Å; R1134-L1136 PolarHBondContact O-N 2.83Å; R1134-G1137 WeakPolarHBondContact O-CA 3.4Å; R1134-G1137 PolarHBondContact O-N 3.33Å; R1134-I1139 HydrophobicContact CB-CD1 4.38Å; R1134-I1139 HydrophobicContact CB-CG1 4Å; R1134-D1141 IonicContact CZ-OD1 3.82Å; R1134-D1141 IonicContact NE-OD1 3.53Å; R1134-D1141 PolarHBondContact NE-OD1 2.98Å; R1134-D1141 VanDerWaalsContact NH2-CG 3.3Å; R1134-D1141 IonicContact NH2-OD1 3.07Å; R1134-D1141 PolarHBondContact NH2-OD1 3.46Å; R1134-D1141 IonicContact NH2-OD2 3.03Å |
| 1135 | A | 90.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -28.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1131 L1132 G1137 F1288 Y1355 | E1131-A1135 WeakPolarHBondContact O-CB 2.8Å; E1131-A1135 PolarHBondContact O-N 2.89Å; L1132-A1135 PolarHBondContact O-N 3.02Å; A1135-G1137 PolarHBondContact O-N 2.84Å; A1135-F1288 HydrophobicContact CB-CE2 3.8Å; A1135-F1288 HydrophobicContact CB-CZ 3.62Å; A1135-Y1355 HydrophobicContact CB-CD2 3.61Å; A1135-Y1355 HydrophobicContact CB-CE2 4.24Å; A1135-Y1355 HydrophobicContact CB-CG 4.46Å |
| 1136 | L | 92.8 | Very high | 91 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -11.4 | 170.9 | -73.4 | 165.2 | 0 | 0 | 0 | 112.4 | L1132 L1133 R1134 A1138 P1160 M1161 K1164 F1288 | L1132-L1136 HydrophobicContact CD1-CD1 4.18Å; L1132-L1136 HydrophobicContact CD1-CG 4.29Å; L1132-L1136 HydrophobicContact CG-CD1 3.99Å; L1132-L1136 WeakPolarHBondContact O-CB 3.43Å; L1132-L1136 VanDerWaalsContact O-CG 3.26Å; L1132-L1136 WeakPolarHBondContact O-CG 2.96Å; L1132-L1136 PolarHBondContact O-N 3.2Å; L1133-L1136 PolarHBondContact O-N 3Å; R1134-L1136 VanDerWaalsContact C-N 3.28Å; R1134-L1136 PolarHBondContact O-N 2.83Å; L1136-A1138 VanDerWaalsContact C-N 3.26Å; L1136-P1160 HydrophobicContact CD1-CB 3.65Å; L1136-M1161 HydrophobicContact CD1-CG 4.1Å; L1136-M1161 HydrophobicContact CD2-CG 4.26Å; L1136-K1164 HydrophobicContact CD2-CB 3.79Å; L1136-K1164 HydrophobicContact CD2-CG 3.9Å; L1136-K1164 WeakPolarHBondContact O-CD 3.33Å; L1136-K1164 VanDerWaalsContact O-CE 3.29Å; L1136-K1164 WeakPolarHBondContact O-CE 3.35Å; L1136-K1164 PolarHBondContact O-NZ 3.06Å; L1136-F1288 HydrophobicContact CD2-CE1 3.72Å; L1136-F1288 HydrophobicContact CD2-CZ 4.27Å; L1136-F1288 HydrophobicContact CG-CE1 4.23Å; L1136-F1288 HydrophobicContact CG-CZ 4.31Å |
| 1137 | G | 93.1 | Very high | 91.1 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 20.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1133 R1134 A1135 T1146 L1149 | L1133-G1137 PolarHBondContact O-N 3.18Å; R1134-G1137 WeakPolarHBondContact O-CA 3.4Å; R1134-G1137 PolarHBondContact O-N 3.33Å; A1135-G1137 PolarHBondContact O-N 2.84Å; G1137-T1146 WeakPolarHBondContact O-CG2 3.23Å; G1137-T1146 PolarHBondContact O-OG1 3.09Å; G1137-L1149 WeakPolarHBondContact O-CD2 3.24Å |
| 1138 | A | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -78.9 | -31.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1102 L1133 L1136 L1145 T1146 G1150 I1153 | L1102-A1138 HydrophobicContact CD1-CB 4.12Å; L1133-A1138 HydrophobicContact CB-CB 4.42Å; L1133-A1138 HydrophobicContact CD2-CB 4.18Å; L1133-A1138 WeakPolarHBondContact O-CB 3.43Å; L1133-A1138 PolarHBondContact O-N 2.84Å; L1136-A1138 VanDerWaalsContact C-N 3.26Å; A1138-L1145 WeakPolarHBondContact O-CD2 3.4Å; A1138-T1146 PolarHBondContact O-N 3.08Å; A1138-T1146 VanDerWaalsContact O-N 3.09Å; A1138-T1146 PolarHBondContact O-OG1 3.39Å; A1138-G1150 VanDerWaalsContact O-CA 3.25Å; A1138-G1150 WeakPolarHBondContact O-CA 3.48Å; A1138-I1153 HydrophobicContact CB-CD1 3.93Å |
| 1139 | I | 94.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -123.9 | 153.9 | 170.2 | 63.6 | 178.3 | 0 | 0 | 0 | 110.5 | L1130 L1133 R1134 E1144 L1145 | L1130-I1139 HydrophobicContact CB-CD1 4.38Å; L1130-I1139 HydrophobicContact CD2-CD1 3.91Å; L1133-I1139 HydrophobicContact CB-CD1 3.91Å; L1133-I1139 HydrophobicContact CB-CG1 3.9Å; L1133-I1139 HydrophobicContact CB-CG2 4.48Å; L1133-I1139 PolarHBondContact O-N 2.91Å; R1134-I1139 HydrophobicContact CB-CD1 4.38Å; R1134-I1139 HydrophobicContact CB-CG1 4Å; I1139-E1144 CarbonylContact C-O 3.58Å; I1139-E1144 WeakPolarHBondContact CA-O 3.23Å; I1139-E1144 VanDerWaalsContact CB-O 3.31Å; I1139-E1144 WeakPolarHBondContact CB-O 3.22Å; I1139-L1145 HydrophobicContact CG2-CD2 4.25Å |
| 1140 | D | 93.1 | Very high | 91.8 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | trans | -87.6 | -173.3 | 173.7 | 59.3 | 26.8 | 0 | 0 | 0 | 112.5 | D1142 G1143 E1144 T1146 | D1140-D1142 VanDerWaalsContact C-N 3.26Å; D1140-D1142 PolarHBondContact O-N 2.79Å; D1140-D1142 WeakPolarHBondContact OD1-CA 3.43Å; D1140-D1142 PolarHBondContact OD1-N 2.9Å; D1140-D1142 VanDerWaalsContact OD1-N 3.09Å; D1140-G1143 PolarHBondContact O-N 2.9Å; D1140-G1143 PolarHBondContact OD1-N 3.47Å; D1140-E1144 PolarHBondContact N-O 3.23Å; D1140-E1144 PolarHBondContact OD1-N 2.72Å; D1140-T1146 HydrophobicContact CB-CG2 4.16Å | ||
| 1141 | D | 90.6 | Very high | 91.8 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 65% | 0.647 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.8 | -179.5 | -69.7 | -11.9 | 0 | 0 | 0 | 113.1 | R1134 G1143 | R1134-D1141 IonicContact CZ-OD1 3.82Å; R1134-D1141 IonicContact NE-OD1 3.53Å; R1134-D1141 PolarHBondContact NE-OD1 2.98Å; R1134-D1141 VanDerWaalsContact NH2-CG 3.3Å; R1134-D1141 IonicContact NH2-OD1 3.07Å; R1134-D1141 PolarHBondContact NH2-OD1 3.46Å; R1134-D1141 IonicContact NH2-OD2 3.03Å; D1141-G1143 VanDerWaalsContact C-N 3.26Å |
| 1142 | D | 89.9 | Confident | 92 | Very high | 143 Ų | 143 | 53.4 Ų | 53.4 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -8.6 | 173.7 | -63.3 | -52.1 | 0 | 0 | 0 | 111.7 | D1140 E1144 | D1140-D1142 VanDerWaalsContact C-N 3.26Å; D1140-D1142 PolarHBondContact O-N 2.79Å; D1140-D1142 WeakPolarHBondContact OD1-CA 3.43Å; D1140-D1142 PolarHBondContact OD1-N 2.9Å; D1140-D1142 VanDerWaalsContact OD1-N 3.09Å; D1142-E1144 HydrophobicContact CB-CG 4.42Å |
| 1143 | G | 88.2 | Confident | 92.3 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 80.5 | 17.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1105 D1140 D1141 | K1105-G1143 WeakPolarHBondContact CE-O 3.3Å; K1105-G1143 PolarHBondContact NZ-O 3.41Å; D1140-G1143 PolarHBondContact O-N 2.9Å; D1140-G1143 PolarHBondContact OD1-N 3.47Å; D1141-G1143 VanDerWaalsContact C-N 3.26Å |
| 1144 | E | 91.4 | Very high | 92.1 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 156 | 173.6 | -57.1 | -166.5 | 159.9 | 0 | 0 | 110.8 | I1139 D1140 D1142 T1146 | I1139-E1144 CarbonylContact C-O 3.58Å; I1139-E1144 WeakPolarHBondContact CA-O 3.23Å; I1139-E1144 VanDerWaalsContact CB-O 3.31Å; I1139-E1144 WeakPolarHBondContact CB-O 3.22Å; D1140-E1144 PolarHBondContact N-O 3.23Å; D1140-E1144 PolarHBondContact OD1-N 2.72Å; D1142-E1144 HydrophobicContact CB-CG 4.42Å; E1144-T1146 PolarHBondContact O-N 3.25Å |
| 1145 | L | 92.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 124.7 | 177.1 | -83.9 | 171.2 | 0 | 0 | 0 | 110.9 | L1102 K1105 A1138 I1139 Y1151 | L1102-L1145 HydrophobicContact CD1-CD2 3.6Å; K1105-L1145 HydrophobicContact CB-CD1 4.21Å; K1105-L1145 HydrophobicContact CB-CD2 4.43Å; K1105-L1145 HydrophobicContact CB-CG 4.03Å; A1138-L1145 WeakPolarHBondContact O-CD2 3.4Å; I1139-L1145 HydrophobicContact CG2-CD2 4.25Å; L1145-Y1151 HydrophobicContact CB-CD2 4.09Å; L1145-Y1151 HydrophobicContact CB-CE2 3.67Å; L1145-Y1151 HydrophobicContact CD1-CE1 4.31Å |
| 1146 | T | 94.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 146.3 | 178.5 | 66 | 0 | 0 | 0 | 0 | 111.5 | G1137 A1138 D1140 E1144 G1150 Y1151 | G1137-T1146 WeakPolarHBondContact O-CG2 3.23Å; G1137-T1146 PolarHBondContact O-OG1 3.09Å; A1138-T1146 PolarHBondContact O-N 3.08Å; A1138-T1146 VanDerWaalsContact O-N 3.09Å; A1138-T1146 PolarHBondContact O-OG1 3.39Å; D1140-T1146 HydrophobicContact CB-CG2 4.16Å; E1144-T1146 PolarHBondContact O-N 3.25Å; T1146-G1150 VanDerWaalsContact O-CA 3.31Å; T1146-G1150 WeakPolarHBondContact O-CA 3.36Å; T1146-G1150 PolarHBondContact O-N 3.08Å; T1146-G1150 WeakPolarHBondContact OG1-CA 3.2Å; T1146-G1150 PolarHBondContact OG1-N 3.02Å; T1146-Y1151 WeakPolarHBondContact O-CD2 3.4Å; T1146-Y1151 PolarHBondContact O-N 3.37Å |
| 1147 | Q | 90 | Very high | 91.3 | Very high | 159 Ų | 159 | 50.8 Ų | 50.8 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 133.8 | 175.8 | -68.2 | -173.3 | 16.5 | 0 | 0 | 111.3 | Y1151 | Q1147-Y1151 HydrophobicContact CG-CD2 3.52Å; Q1147-Y1151 HydrophobicContact CG-CE2 3.41Å; Q1147-Y1151 VanDerWaalsContact CG-CE2 3.41Å |
| 1148 | P | 91.9 | Very high | 91.1 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.9 | -10 | -5.7 | 34.9 | -35.3 | 0 | 0 | 0 | 113.6 | Y1151 Q1152 | P1148-Y1151 PolarHBondContact O-N 3.31Å; P1148-Q1152 HydrophobicContact CB-CG 4.5Å; P1148-Q1152 VanDerWaalsContact O-CG 3.26Å; P1148-Q1152 WeakPolarHBondContact O-CG 3.48Å; P1148-Q1152 PolarHBondContact O-N 3.03Å |
| 1149 | L | 93.1 | Very high | 90.8 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 20% | 0.199 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -52.9 | -164.9 | 177.8 | 64.2 | 0 | 0 | 0 | 113.3 | G1137 Y1151 Q1152 I1153 K1164 L1167 | G1137-L1149 WeakPolarHBondContact O-CD2 3.24Å; L1149-Y1151 VanDerWaalsContact C-N 3.34Å; L1149-Y1151 PolarHBondContact O-N 2.94Å; L1149-Q1152 PolarHBondContact O-N 3.01Å; L1149-Q1152 VanDerWaalsContact O-N 3.17Å; L1149-I1153 HydrophobicContact CD1-CD1 3.83Å; L1149-I1153 HydrophobicContact CD1-CG1 4.06Å; L1149-I1153 HydrophobicContact CD2-CD1 4.49Å; L1149-I1153 HydrophobicContact CG-CD1 3.84Å; L1149-I1153 HydrophobicContact CG-CG1 4.4Å; L1149-I1153 VanDerWaalsContact O-CG1 3.3Å; L1149-I1153 WeakPolarHBondContact O-CG1 3.42Å; L1149-I1153 PolarHBondContact O-N 3.38Å; L1149-K1164 HydrophobicContact CD1-CD 4.27Å; L1149-K1164 HydrophobicContact CD2-CD 4.3Å; L1149-L1167 HydrophobicContact CD1-CD1 3.84Å |
| 1150 | G | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -44.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1138 T1146 I1153 A1154 | A1138-G1150 VanDerWaalsContact O-CA 3.25Å; A1138-G1150 WeakPolarHBondContact O-CA 3.48Å; T1146-G1150 VanDerWaalsContact O-CA 3.31Å; T1146-G1150 WeakPolarHBondContact O-CA 3.36Å; T1146-G1150 PolarHBondContact O-N 3.08Å; T1146-G1150 WeakPolarHBondContact OG1-CA 3.2Å; T1146-G1150 PolarHBondContact OG1-N 3.02Å; G1150-I1153 PolarHBondContact O-N 2.91Å; G1150-A1154 WeakPolarHBondContact O-CB 3.19Å; G1150-A1154 PolarHBondContact O-N 2.77Å |
| 1151 | Y | 91.4 | Very high | 90.8 | Very high | 111 Ų | 111 | 51.7 Ų | 51.7 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.3 | -75.8 | -90.3 | 0 | 0 | 0 | 112.5 | L1145 T1146 Q1147 P1148 L1149 A1154 E1155 | L1145-Y1151 HydrophobicContact CB-CD2 4.09Å; L1145-Y1151 HydrophobicContact CB-CE2 3.67Å; L1145-Y1151 HydrophobicContact CD1-CE1 4.31Å; T1146-Y1151 WeakPolarHBondContact O-CD2 3.4Å; T1146-Y1151 PolarHBondContact O-N 3.37Å; Q1147-Y1151 HydrophobicContact CG-CD2 3.52Å; Q1147-Y1151 HydrophobicContact CG-CE2 3.41Å; Q1147-Y1151 VanDerWaalsContact CG-CE2 3.41Å; P1148-Y1151 PolarHBondContact O-N 3.31Å; L1149-Y1151 VanDerWaalsContact C-N 3.34Å; L1149-Y1151 PolarHBondContact O-N 2.94Å; Y1151-A1154 PolarHBondContact O-N 2.87Å; Y1151-E1155 WeakPolarHBondContact O-CB 3.41Å; Y1151-E1155 PolarHBondContact O-N 3.08Å |
| 1152 | Q | 93.4 | Very high | 91 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 176.7 | -72.3 | 174.9 | -12.2 | 0 | 0 | 112 | P1148 L1149 E1155 L1156 L1167 F1262 | P1148-Q1152 HydrophobicContact CB-CG 4.5Å; P1148-Q1152 VanDerWaalsContact O-CG 3.26Å; P1148-Q1152 WeakPolarHBondContact O-CG 3.48Å; P1148-Q1152 PolarHBondContact O-N 3.03Å; L1149-Q1152 PolarHBondContact O-N 3.01Å; L1149-Q1152 VanDerWaalsContact O-N 3.17Å; Q1152-E1155 PolarHBondContact O-N 3.2Å; Q1152-L1156 WeakPolarHBondContact O-CG 3.41Å; Q1152-L1156 PolarHBondContact O-N 2.78Å; Q1152-L1156 VanDerWaalsContact O-N 3.12Å; Q1152-L1167 HydrophobicContact CB-CD1 3.73Å; Q1152-L1167 HydrophobicContact CB-CD2 4.32Å; Q1152-F1262 HydrophobicContact CB-CD2 4.32Å; Q1152-F1262 HydrophobicContact CB-CE2 4.26Å; Q1152-F1262 HydrophobicContact CB-CZ 4.45Å; Q1152-F1262 HydrophobicContact CG-CB 4.47Å; Q1152-F1262 HydrophobicContact CG-CD1 3.91Å; Q1152-F1262 HydrophobicContact CG-CD2 4.17Å; Q1152-F1262 HydrophobicContact CG-CE1 4.12Å; Q1152-F1262 HydrophobicContact CG-CE2 4.38Å; Q1152-F1262 HydrophobicContact CG-CG 3.93Å; Q1152-F1262 HydrophobicContact CG-CZ 4.34Å |
| 1153 | I | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.1 | -65.4 | 172.9 | 0 | 0 | 0 | 110 | L1102 A1138 L1149 G1150 E1155 L1156 P1160 A1163 K1164 L1167 | L1102-I1153 HydrophobicContact CD2-CB 4.42Å; L1102-I1153 HydrophobicContact CD2-CG2 3.56Å; A1138-I1153 HydrophobicContact CB-CD1 3.93Å; L1149-I1153 HydrophobicContact CD1-CD1 3.83Å; L1149-I1153 HydrophobicContact CD1-CG1 4.06Å; L1149-I1153 HydrophobicContact CD2-CD1 4.49Å; L1149-I1153 HydrophobicContact CG-CD1 3.84Å; L1149-I1153 HydrophobicContact CG-CG1 4.4Å; L1149-I1153 VanDerWaalsContact O-CG1 3.3Å; L1149-I1153 WeakPolarHBondContact O-CG1 3.42Å; L1149-I1153 PolarHBondContact O-N 3.38Å; G1150-I1153 PolarHBondContact O-N 2.91Å; I1153-E1155 VanDerWaalsContact C-N 3.32Å; I1153-E1155 PolarHBondContact O-N 3.25Å; I1153-L1156 PolarHBondContact O-N 3.15Å; I1153-P1160 HydrophobicContact CG2-CB 4.02Å; I1153-A1163 HydrophobicContact CB-CB 4.31Å; I1153-A1163 HydrophobicContact CG1-CB 4.32Å; I1153-A1163 HydrophobicContact CG2-CB 3.87Å; I1153-K1164 HydrophobicContact CD1-CB 4.4Å; I1153-K1164 HydrophobicContact CD1-CD 4.35Å; I1153-L1167 HydrophobicContact CG1-CD1 3.74Å |
| 1154 | A | 90.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1102 G1150 Y1151 | L1102-A1154 HydrophobicContact CD1-CB 4.12Å; L1102-A1154 HydrophobicContact CD2-CB 4.2Å; L1102-A1154 HydrophobicContact CG-CB 3.91Å; G1150-A1154 WeakPolarHBondContact O-CB 3.19Å; G1150-A1154 PolarHBondContact O-N 2.77Å; Y1151-A1154 PolarHBondContact O-N 2.87Å |
| 1155 | E | 86.7 | Confident | 91.9 | Very high | 80 Ų | 80 | 34.4 Ų | 34.4 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -81.8 | -24.7 | -178.2 | -163.7 | 177.5 | -179.8 | 0 | 0 | 113.1 | Y1151 Q1152 I1153 F1258 R1261 F1262 | Y1151-E1155 WeakPolarHBondContact O-CB 3.41Å; Y1151-E1155 PolarHBondContact O-N 3.08Å; Q1152-E1155 PolarHBondContact O-N 3.2Å; I1153-E1155 VanDerWaalsContact C-N 3.32Å; I1153-E1155 PolarHBondContact O-N 3.25Å; E1155-F1258 HydrophobicContact CG-CE1 4.27Å; E1155-R1261 IonicContact OE1-CZ 3.32Å; E1155-R1261 IonicContact OE1-NH1 2.77Å; E1155-R1261 PolarHBondContact OE1-NH1 2.96Å; E1155-R1261 IonicContact OE1-NH2 3.87Å; E1155-R1261 PolarHBondContact OE1-NH2 3.31Å; E1155-R1261 IonicContact OE2-CZ 3.16Å; E1155-R1261 IonicContact OE2-NH1 3.38Å; E1155-R1261 IonicContact OE2-NH2 2.69Å; E1155-R1261 PolarHBondContact OE2-NH2 2.84Å; E1155-F1262 HydrophobicContact CB-CZ 4.08Å; E1155-F1262 HydrophobicContact CG-CZ 4.31Å; E1155-F1262 VanDerWaalsContact OE2-CE1 3.25Å; E1155-F1262 WeakPolarHBondContact OE2-CE1 3.2Å; E1155-F1262 WeakPolarHBondContact OE2-CZ 3.13Å |
| 1156 | L | 87.6 | Confident | 92.1 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -64.9 | 135.1 | 173.8 | -79.4 | 169.6 | 0 | 0 | 0 | 110.9 | Q1152 I1153 L1158 A1163 L1167 L1255 F1258 F1262 | Q1152-L1156 WeakPolarHBondContact O-CG 3.41Å; Q1152-L1156 PolarHBondContact O-N 2.78Å; Q1152-L1156 VanDerWaalsContact O-N 3.12Å; I1153-L1156 PolarHBondContact O-N 3.15Å; L1156-L1158 HydrophobicContact CB-CB 4.45Å; L1156-L1158 PolarHBondContact O-N 3.28Å; L1156-A1163 HydrophobicContact CB-CB 4.11Å; L1156-A1163 HydrophobicContact CD1-CB 3.68Å; L1156-L1167 HydrophobicContact CD1-CD1 4.1Å; L1156-L1167 HydrophobicContact CD1-CD2 4.07Å; L1156-L1167 HydrophobicContact CD1-CG 3.93Å; L1156-L1255 HydrophobicContact CD2-CD2 4.22Å; L1156-F1258 HydrophobicContact CD2-CB 3.64Å; L1156-F1258 HydrophobicContact CD2-CD1 4.27Å; L1156-F1258 HydrophobicContact CD2-CD2 4.42Å; L1156-F1258 HydrophobicContact CD2-CG 3.88Å; L1156-F1262 HydrophobicContact CD2-CE2 4.03Å; L1156-F1262 HydrophobicContact CG-CE2 3.95Å |
| 1157 | P | 84.5 | Confident | 92.2 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -79.3 | 52.1 | 175.6 | 35.9 | -37.5 | 0 | 0 | 0 | 110.7 | R792 F793 R814 L1255 F1258 | R792-P1157 PolarHBondContact NH2-O 3.49Å; F793-P1157 HydrophobicContact CE1-CB 4.34Å; F793-P1157 HydrophobicContact CE1-CG 4.29Å; R814-P1157 VanDerWaalsContact NH2-CB 3.33Å; P1157-L1255 HydrophobicContact CG-CD2 4.14Å; P1157-F1258 HydrophobicContact CG-CE2 4.16Å |
| 1158 | L | 88.9 | Confident | 92.4 | Very high | 18 Ų | 18 | 26 Ų | 26 | 9% | 0.094 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -138.4 | 155.6 | -175.1 | -68.3 | 173.8 | 0 | 0 | 0 | 110.8 | L1156 H1162 A1163 L1166 V1182 Q1186 L1255 | L1156-L1158 HydrophobicContact CB-CB 4.45Å; L1156-L1158 PolarHBondContact O-N 3.28Å; L1158-H1162 HydrophobicContact CB-CB 4.23Å; L1158-A1163 HydrophobicContact CB-CB 4.24Å; L1158-L1166 HydrophobicContact CD1-CD2 3.81Å; L1158-V1182 HydrophobicContact CD1-CG1 3.59Å; L1158-V1182 HydrophobicContact CD2-CG1 3.79Å; L1158-V1182 HydrophobicContact CG-CG1 4.35Å; L1158-Q1186 HydrophobicContact CD2-CG 3.86Å; L1158-L1255 HydrophobicContact CD1-CD1 4.15Å; L1158-L1255 HydrophobicContact CD1-CD2 3.72Å; L1158-L1255 HydrophobicContact CD2-CD1 4.3Å; L1158-L1255 HydrophobicContact CD2-CD2 4.33Å; L1158-L1255 HydrophobicContact CG-CD2 3.92Å |
| 1159 | P | 89.1 | Confident | 92.6 | Very high | 49 Ų | 49 | 21.9 Ų | 21.9 | 32% | 0.318 | 11% | 0.109 | S | C | . | . | trans | -58 | 147.6 | 167.3 | -21.2 | 32.6 | 0 | 0 | 0 | 111.1 | M1161 H1162 A1163 | P1159-M1161 VanDerWaalsContact C-N 3.26Å; P1159-M1161 PolarHBondContact O-N 2.88Å; P1159-M1161 VanDerWaalsContact O-N 3.12Å; P1159-H1162 WeakPolarHBondContact O-CB 3.39Å; P1159-H1162 PolarHBondContact O-N 3.29Å; P1159-A1163 PolarHBondContact O-N 3.22Å | ||
| 1160 | P | 93.2 | Very high | 92.5 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -52.6 | -40.4 | -173.7 | -28.5 | 34.7 | 0 | 0 | 0 | 114.4 | P1099 L1102 L1133 L1136 I1153 A1163 K1164 | P1099-P1160 HydrophobicContact CG-CG 4.45Å; L1102-P1160 HydrophobicContact CD2-CB 4.32Å; L1102-P1160 HydrophobicContact CD2-CG 3.88Å; L1133-P1160 HydrophobicContact CD2-CB 4.02Å; L1133-P1160 HydrophobicContact CD2-CG 4.03Å; L1136-P1160 HydrophobicContact CD1-CB 3.65Å; I1153-P1160 HydrophobicContact CG2-CB 4.02Å; P1160-A1163 PolarHBondContact O-N 2.68Å; P1160-K1164 WeakPolarHBondContact O-CB 3.47Å; P1160-K1164 PolarHBondContact O-N 2.95Å |
| 1161 | M | 93.9 | Very high | 92.5 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.7 | -65.1 | 173.6 | 74.5 | 0 | 0 | 112.7 | L1132 L1136 P1159 K1164 A1165 G1286 F1287 S1289 N1290 | L1132-M1161 HydrophobicContact CD2-SD 4.22Å; L1136-M1161 HydrophobicContact CD1-CG 4.1Å; L1136-M1161 HydrophobicContact CD2-CG 4.26Å; P1159-M1161 VanDerWaalsContact C-N 3.26Å; P1159-M1161 PolarHBondContact O-N 2.88Å; P1159-M1161 VanDerWaalsContact O-N 3.12Å; M1161-K1164 PolarHBondContact O-N 3.04Å; M1161-A1165 PolarHBondContact O-N 2.97Å; M1161-G1286 WeakPolarHBondContact CB-O 3.13Å; M1161-G1286 VanDerWaalsContact CE-O 3.25Å; M1161-G1286 WeakPolarHBondContact CE-O 3.48Å; M1161-G1286 WeakPolarHBondContact CG-O 3.1Å; M1161-G1286 WeakPolarHBondContact O-CA 3.11Å; M1161-F1287 HydrophobicContact CB-CD1 4.44Å; M1161-F1287 HydrophobicContact CB-CE1 4.26Å; M1161-F1287 HydrophobicContact CE-CB 4.36Å; M1161-F1287 HydrophobicContact CE-CD1 3.69Å; M1161-F1287 HydrophobicContact CE-CE1 4.4Å; M1161-F1287 HydrophobicContact CE-CG 4.33Å; M1161-S1289 WeakPolarHBondContact CE-OG 3.49Å; M1161-N1290 HydrophobicContact CE-CB 4.45Å |
| 1162 | H | 94.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 24 Ų | 24 | 7% | 0.069 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.8 | -40.9 | 178.1 | -66.6 | 64.6 | 0 | 0 | 0 | 111.1 | L1158 P1159 K1164 A1165 L1166 V1182 F1287 | L1158-H1162 HydrophobicContact CB-CB 4.23Å; P1159-H1162 WeakPolarHBondContact O-CB 3.39Å; P1159-H1162 PolarHBondContact O-N 3.29Å; H1162-K1164 VanDerWaalsContact C-N 3.35Å; H1162-A1165 PolarHBondContact O-N 3.34Å; H1162-L1166 WeakPolarHBondContact O-CB 3.16Å; H1162-L1166 PolarHBondContact O-N 3.17Å; H1162-V1182 HydrophobicContact CB-CG1 4.43Å; H1162-F1287 AromaticContact CE1-CE1 3.79Å; H1162-F1287 AromaticContact CE1-CZ 3.58Å; H1162-F1287 AromaticContact CG-CZ 3.91Å; H1162-F1287 AromaticContact ND1-CE1 3.97Å; H1162-F1287 AromaticContact ND1-CZ 3.64Å; H1162-F1287 AromaticContact NE2-CZ 3.83Å |
| 1163 | A | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1153 L1156 L1158 P1159 P1160 L1166 L1167 | I1153-A1163 HydrophobicContact CB-CB 4.31Å; I1153-A1163 HydrophobicContact CG1-CB 4.32Å; I1153-A1163 HydrophobicContact CG2-CB 3.87Å; L1156-A1163 HydrophobicContact CB-CB 4.11Å; L1156-A1163 HydrophobicContact CD1-CB 3.68Å; L1158-A1163 HydrophobicContact CB-CB 4.24Å; P1159-A1163 PolarHBondContact O-N 3.22Å; P1160-A1163 PolarHBondContact O-N 2.68Å; A1163-L1166 PolarHBondContact O-N 3.47Å; A1163-L1167 WeakPolarHBondContact O-CB 3.36Å; A1163-L1167 VanDerWaalsContact O-CG 3.28Å; A1163-L1167 WeakPolarHBondContact O-CG 3.34Å; A1163-L1167 PolarHBondContact O-N 2.97Å |
| 1164 | K | 95.7 | Very high | 92.8 | Very high | 25 Ų | 25 | 25.6 Ų | 25.6 | 11% | 0.109 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 175.7 | -178.8 | 67.3 | 175 | -152.8 | 0 | 112.2 | L1136 L1149 I1153 P1160 M1161 H1162 L1166 L1167 M1168 Y1285 | L1136-K1164 HydrophobicContact CD2-CB 3.79Å; L1136-K1164 HydrophobicContact CD2-CG 3.9Å; L1136-K1164 WeakPolarHBondContact O-CD 3.33Å; L1136-K1164 VanDerWaalsContact O-CE 3.29Å; L1136-K1164 WeakPolarHBondContact O-CE 3.35Å; L1136-K1164 PolarHBondContact O-NZ 3.06Å; L1149-K1164 HydrophobicContact CD1-CD 4.27Å; L1149-K1164 HydrophobicContact CD2-CD 4.3Å; I1153-K1164 HydrophobicContact CD1-CB 4.4Å; I1153-K1164 HydrophobicContact CD1-CD 4.35Å; P1160-K1164 WeakPolarHBondContact O-CB 3.47Å; P1160-K1164 PolarHBondContact O-N 2.95Å; M1161-K1164 PolarHBondContact O-N 3.04Å; H1162-K1164 VanDerWaalsContact C-N 3.35Å; K1164-L1166 VanDerWaalsContact C-N 3.28Å; K1164-L1166 PolarHBondContact O-N 2.92Å; K1164-L1167 PolarHBondContact O-N 3.4Å; K1164-M1168 HydrophobicContact CD-CG 4.02Å; K1164-M1168 HydrophobicContact CG-CG 4.44Å; K1164-M1168 WeakPolarHBondContact O-CB 3.27Å; K1164-M1168 WeakPolarHBondContact O-CG 3.35Å; K1164-M1168 PolarHBondContact O-N 3.21Å; K1164-Y1285 VanDerWaalsContact CG-O 3.23Å; K1164-Y1285 WeakPolarHBondContact CG-O 3.41Å |
| 1165 | A | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1161 H1162 S1169 S1282 | M1161-A1165 PolarHBondContact O-N 2.97Å; H1162-A1165 PolarHBondContact O-N 3.34Å; A1165-S1169 PolarHBondContact O-N 2.85Å; A1165-S1282 WeakPolarHBondContact CA-O 3.28Å; A1165-S1282 WeakPolarHBondContact CB-O 3.48Å; A1165-S1282 PolarHBondContact O-OG 3.29Å |
| 1166 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 179.4 | -175.3 | 61.7 | 0 | 0 | 0 | 112.8 | L1158 H1162 A1163 K1164 S1169 I1178 L1179 V1182 L1255 L1259 | L1158-L1166 HydrophobicContact CD1-CD2 3.81Å; H1162-L1166 WeakPolarHBondContact O-CB 3.16Å; H1162-L1166 PolarHBondContact O-N 3.17Å; A1163-L1166 PolarHBondContact O-N 3.47Å; K1164-L1166 VanDerWaalsContact C-N 3.28Å; K1164-L1166 PolarHBondContact O-N 2.92Å; L1166-S1169 WeakPolarHBondContact O-CB 3.46Å; L1166-S1169 PolarHBondContact O-N 3.18Å; L1166-S1169 PolarHBondContact O-OG 2.97Å; L1166-I1178 HydrophobicContact CB-CG2 4.49Å; L1166-I1178 HydrophobicContact CD1-CG2 4.02Å; L1166-L1179 HydrophobicContact CD1-CB 4.02Å; L1166-L1179 HydrophobicContact CD1-CD1 4.24Å; L1166-V1182 HydrophobicContact CB-CG2 4.37Å; L1166-L1255 HydrophobicContact CD2-CD1 4.38Å; L1166-L1255 HydrophobicContact CD2-CD2 4.45Å; L1166-L1259 HydrophobicContact CD1-CD1 4.17Å; L1166-L1259 HydrophobicContact CD1-CD2 4.43Å; L1166-L1259 HydrophobicContact CD2-CD2 4.24Å; L1166-L1259 HydrophobicContact CG-CD2 3.99Å |
| 1167 | L | 95.7 | Very high | 93.9 | Very high | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.073 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.1 | -36 | 180 | -68.7 | 172.3 | 0 | 0 | 0 | 112.3 | L1149 Q1152 I1153 L1156 A1163 K1164 S1169 F1262 V1264 | L1149-L1167 HydrophobicContact CD1-CD1 3.84Å; Q1152-L1167 HydrophobicContact CB-CD1 3.73Å; Q1152-L1167 HydrophobicContact CB-CD2 4.32Å; I1153-L1167 HydrophobicContact CG1-CD1 3.74Å; L1156-L1167 HydrophobicContact CD1-CD1 4.1Å; L1156-L1167 HydrophobicContact CD1-CD2 4.07Å; L1156-L1167 HydrophobicContact CD1-CG 3.93Å; A1163-L1167 WeakPolarHBondContact O-CB 3.36Å; A1163-L1167 VanDerWaalsContact O-CG 3.28Å; A1163-L1167 WeakPolarHBondContact O-CG 3.34Å; A1163-L1167 PolarHBondContact O-N 2.97Å; K1164-L1167 PolarHBondContact O-N 3.4Å; L1167-S1169 VanDerWaalsContact C-N 3.35Å; L1167-F1262 HydrophobicContact CD2-CD2 4.16Å; L1167-V1264 HydrophobicContact CD2-CG2 3.89Å |
| 1168 | M | 94.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -74.6 | -24.4 | 179.3 | -67.3 | -56.6 | -65.3 | 0 | 0 | 113.4 | K1164 G1170 K1171 L1172 Y1285 | K1164-M1168 HydrophobicContact CD-CG 4.02Å; K1164-M1168 HydrophobicContact CG-CG 4.44Å; K1164-M1168 WeakPolarHBondContact O-CB 3.27Å; K1164-M1168 WeakPolarHBondContact O-CG 3.35Å; K1164-M1168 PolarHBondContact O-N 3.21Å; M1168-G1170 PolarHBondContact O-N 2.96Å; M1168-G1170 VanDerWaalsContact O-N 3.11Å; M1168-K1171 HydrophobicContact CE-CD 3.81Å; M1168-K1171 WeakPolarHBondContact O-CB 3.23Å; M1168-K1171 PolarHBondContact O-N 3.49Å; M1168-K1171 HydrophobicContact SD-CD 4.43Å; M1168-L1172 PolarHBondContact O-N 3.32Å; M1168-Y1285 HydrophobicContact CB-CD2 3.9Å; M1168-Y1285 HydrophobicContact CB-CG 3.97Å; M1168-Y1285 HydrophobicContact CE-CD1 4.01Å; M1168-Y1285 HydrophobicContact CE-CD2 4.26Å; M1168-Y1285 HydrophobicContact CE-CE1 3.67Å; M1168-Y1285 HydrophobicContact CE-CE2 3.96Å; M1168-Y1285 HydrophobicContact CE-CG 4.28Å; M1168-Y1285 HydrophobicContact CG-CD1 4.19Å; M1168-Y1285 HydrophobicContact CG-CD2 4.3Å; M1168-Y1285 HydrophobicContact CG-CG 3.92Å |
| 1169 | S | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.3 | 179.6 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | A1165 L1166 L1167 K1171 L1172 E1173 C1174 S1175 S1282 | A1165-S1169 PolarHBondContact O-N 2.85Å; L1166-S1169 WeakPolarHBondContact O-CB 3.46Å; L1166-S1169 PolarHBondContact O-N 3.18Å; L1166-S1169 PolarHBondContact O-OG 2.97Å; L1167-S1169 VanDerWaalsContact C-N 3.35Å; S1169-K1171 VanDerWaalsContact C-N 3.31Å; S1169-K1171 PolarHBondContact O-N 3.45Å; S1169-L1172 CarbonylContact O-C 3.59Å; S1169-L1172 PolarHBondContact O-N 3.22Å; S1169-E1173 PolarHBondContact O-N 3.39Å; S1169-E1173 VanDerWaalsContact O-N 3.1Å; S1169-C1174 PolarHBondContact O-N 3.42Å; S1169-C1174 VanDerWaalsContact O-N 3.14Å; S1169-S1175 VanDerWaalsContact OG-CA 3.23Å; S1169-S1175 WeakPolarHBondContact OG-CA 3.44Å; S1169-S1175 VanDerWaalsContact OG-CB 3.23Å; S1169-S1175 WeakPolarHBondContact OG-CB 3.35Å; S1169-S1282 VanDerWaalsContact CA-OG 3.29Å; S1169-S1282 WeakPolarHBondContact CA-OG 3.35Å; S1169-S1282 WeakPolarHBondContact CB-OG 3.41Å; S1169-S1282 PolarHBondContact N-OG 3.4Å |
| 1170 | G | 92.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 8% | 0.082 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -32.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1168 | M1168-G1170 PolarHBondContact O-N 2.96Å; M1168-G1170 VanDerWaalsContact O-N 3.11Å |
| 1171 | K | 92.9 | Very high | 95.4 | Very high | 162 Ų | 162 | 20.5 Ų | 20.5 | 70% | 0.704 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -26.5 | 175.6 | -63.7 | -174.2 | -177.7 | 179.1 | 0 | 112.7 | M1168 S1169 | M1168-K1171 HydrophobicContact CE-CD 3.81Å; M1168-K1171 WeakPolarHBondContact O-CB 3.23Å; M1168-K1171 PolarHBondContact O-N 3.49Å; M1168-K1171 HydrophobicContact SD-CD 4.43Å; S1169-K1171 VanDerWaalsContact C-N 3.31Å; S1169-K1171 PolarHBondContact O-N 3.45Å |
| 1172 | L | 93.4 | Very high | 95.5 | Very high | 22 Ų | 22 | 19.5 Ų | 19.5 | 12% | 0.115 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 0.5 | 179.9 | -66.2 | 172.3 | 0 | 0 | 0 | 112.9 | M1168 S1169 C1174 R1278 Q1281 S1282 Y1285 | M1168-L1172 PolarHBondContact O-N 3.32Å; S1169-L1172 CarbonylContact O-C 3.59Å; S1169-L1172 PolarHBondContact O-N 3.22Å; L1172-C1174 VanDerWaalsContact C-N 3.26Å; L1172-C1174 PolarHBondContact O-N 2.86Å; L1172-R1278 WeakPolarHBondContact O-CD 3.3Å; L1172-R1278 PolarHBondContact O-NH1 3.22Å; L1172-R1278 VanDerWaalsContact O-NH1 3.11Å; L1172-Q1281 HydrophobicContact CD1-CB 3.95Å; L1172-S1282 VanDerWaalsContact CD1-CA 3.46Å; L1172-S1282 VanDerWaalsContact CD1-N 3.3Å; L1172-Y1285 HydrophobicContact CD1-CD2 4Å; L1172-Y1285 HydrophobicContact CD1-CE2 3.97Å |
| 1173 | E | 94.6 | Very high | 95.5 | Very high | 71 Ų | 71 | 18.8 Ų | 18.8 | 33% | 0.332 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 29.7 | 179.8 | -49.2 | 179.7 | 152.4 | 0 | 0 | 113.6 | S1169 L1267 S1268 C1269 R1272 R1278 | S1169-E1173 PolarHBondContact O-N 3.39Å; S1169-E1173 VanDerWaalsContact O-N 3.1Å; E1173-L1267 HydrophobicContact CB-CB 4.24Å; E1173-L1267 HydrophobicContact CB-CD1 4.12Å; E1173-L1267 HydrophobicContact CG-CD1 3.92Å; E1173-S1268 CarbonylContact O-C 3.47Å; E1173-C1269 WeakPolarHBondContact O-CB 3.42Å; E1173-C1269 PolarHBondContact O-N 3.36Å; E1173-R1272 IonicContact OE2-CZ 2.83Å; E1173-R1272 IonicContact OE2-NH1 2.68Å; E1173-R1272 PolarHBondContact OE2-NH1 2.75Å; E1173-R1272 IonicContact OE2-NH2 2.76Å; E1173-R1278 IonicContact OE2-NH1 2.76Å |
| 1174 | C | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -127 | 26.4 | -178.6 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | S1169 L1172 E1176 E1177 I1178 L1267 C1269 R1278 I1279 | S1169-C1174 PolarHBondContact O-N 3.42Å; S1169-C1174 VanDerWaalsContact O-N 3.14Å; L1172-C1174 VanDerWaalsContact C-N 3.26Å; L1172-C1174 PolarHBondContact O-N 2.86Å; C1174-E1176 VanDerWaalsContact C-N 3.32Å; C1174-E1176 PolarHBondContact O-N 3.06Å; C1174-E1177 VanDerWaalsContact C-OE2 3.25Å; C1174-E1177 WeakPolarHBondContact CA-OE2 3.3Å; C1174-E1177 PolarHBondContact O-N 3.47Å; C1174-I1178 WeakPolarHBondContact O-CG1 3.11Å; C1174-I1178 PolarHBondContact O-N 2.83Å; C1174-L1267 CarbonylContact C-O 3.53Å; C1174-C1269 HydrophobicContact CB-CB 4.2Å; C1174-C1269 VanDerWaalsContact CB-SG 3.56Å; C1174-R1278 HydrophobicContact CB-CB 4.31Å; C1174-I1279 HydrophobicContact CB-CG1 4.04Å | ||
| 1175 | S | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.5 | -28 | -173.9 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | S1169 L1179 P1265 L1266 L1267 | S1169-S1175 VanDerWaalsContact OG-CA 3.23Å; S1169-S1175 WeakPolarHBondContact OG-CA 3.44Å; S1169-S1175 VanDerWaalsContact OG-CB 3.23Å; S1169-S1175 WeakPolarHBondContact OG-CB 3.35Å; S1175-L1179 WeakPolarHBondContact O-CB 3.36Å; S1175-L1179 PolarHBondContact O-N 3.34Å; S1175-P1265 WeakPolarHBondContact CB-O 3.46Å; S1175-P1265 PolarHBondContact OG-O 3.48Å; S1175-L1266 VanDerWaalsContact OG-CA 3.31Å; S1175-L1266 WeakPolarHBondContact OG-CA 3.25Å; S1175-L1267 PolarHBondContact N-O 3.44Å; S1175-L1267 PolarHBondContact OG-N 3.39Å; S1175-L1267 PolarHBondContact OG-O 3.4Å |
| 1176 | E | 95.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 20.8 Ų | 20.8 | 25% | 0.252 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 172 | -79.2 | -74 | -171.6 | 0 | 0 | 112 | C1174 S1180 R1252 L1266 L1267 | C1174-E1176 VanDerWaalsContact C-N 3.32Å; C1174-E1176 PolarHBondContact O-N 3.06Å; E1176-S1180 PolarHBondContact O-N 2.82Å; E1176-S1180 PolarHBondContact O-OG 3.25Å; E1176-R1252 PolarHBondContact O-NH1 2.67Å; E1176-R1252 IonicContact OE2-CZ 2.78Å; E1176-R1252 IonicContact OE2-NH1 2.74Å; E1176-R1252 IonicContact OE2-NH2 3.59Å; E1176-R1252 PolarHBondContact OE2-NH2 3.28Å; E1176-L1266 HydrophobicContact CG-CD1 4.02Å; E1176-L1266 HydrophobicContact CG-CG 3.93Å; E1176-L1266 WeakPolarHBondContact OE1-CD2 3.48Å; E1176-L1266 WeakPolarHBondContact OE1-CG 3.34Å; E1176-L1267 PolarHBondContact N-O 2.97Å |
| 1177 | E | 96.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 21.5 Ų | 21.5 | 7% | 0.07 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -73.1 | -48.4 | -179.7 | -63.5 | 81.5 | -171.9 | 0 | 0 | 111.3 | C1174 L1179 S1180 I1181 L1219 S1268 C1269 R1270 I1279 | C1174-E1177 VanDerWaalsContact C-OE2 3.25Å; C1174-E1177 WeakPolarHBondContact CA-OE2 3.3Å; C1174-E1177 PolarHBondContact O-N 3.47Å; E1177-L1179 VanDerWaalsContact C-N 3.32Å; E1177-L1179 PolarHBondContact O-N 2.91Å; E1177-S1180 WeakPolarHBondContact O-CB 2.97Å; E1177-S1180 PolarHBondContact O-N 2.74Å; E1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; E1177-I1181 PolarHBondContact O-N 3.08Å; E1177-L1219 HydrophobicContact CB-CD1 4.16Å; E1177-L1219 HydrophobicContact CB-CD2 3.85Å; E1177-L1219 HydrophobicContact CG-CD1 4.38Å; E1177-L1219 HydrophobicContact CG-CD2 3.86Å; E1177-S1268 WeakPolarHBondContact OE1-CA 3.49Å; E1177-S1268 WeakPolarHBondContact OE1-CB 3.39Å; E1177-S1268 PolarHBondContact OE1-OG 3.5Å; E1177-C1269 VanDerWaalsContact CD-SG 3.52Å; E1177-C1269 PolarHBondContact OE1-N 3.1Å; E1177-C1269 PolarHBondContact OE2-N 3.19Å; E1177-C1269 PolarHBondContact OE2-SG 3.44Å; E1177-R1270 PolarHBondContact OE1-N 3.11Å; E1177-I1279 HydrophobicContact CB-CD1 3.81Å; E1177-I1279 HydrophobicContact CB-CG1 4.02Å; E1177-I1279 HydrophobicContact CG-CD1 3.95Å |
| 1178 | I | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | 179.9 | -66.3 | -70.5 | 0 | 0 | 0 | 111.5 | L1166 C1174 S1180 I1181 V1182 I1279 L1283 | L1166-I1178 HydrophobicContact CB-CG2 4.49Å; L1166-I1178 HydrophobicContact CD1-CG2 4.02Å; C1174-I1178 WeakPolarHBondContact O-CG1 3.11Å; C1174-I1178 PolarHBondContact O-N 2.83Å; I1178-S1180 VanDerWaalsContact C-N 3.27Å; I1178-S1180 PolarHBondContact O-N 2.88Å; I1178-I1181 HydrophobicContact CD1-CD1 4.29Å; I1178-I1181 PolarHBondContact O-N 3.23Å; I1178-V1182 HydrophobicContact CG2-CG2 3.99Å; I1178-V1182 WeakPolarHBondContact O-CB 3.34Å; I1178-V1182 VanDerWaalsContact O-CG2 3.3Å; I1178-V1182 WeakPolarHBondContact O-CG2 3.36Å; I1178-V1182 PolarHBondContact O-N 3.08Å; I1178-I1279 HydrophobicContact CD1-CG2 3.85Å; I1178-L1283 HydrophobicContact CD1-CD2 4.16Å; I1178-L1283 HydrophobicContact CD1-CG 4.09Å |
| 1179 | L | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -39.6 | 173.1 | 174.5 | 65.3 | 0 | 0 | 0 | 111.8 | L1166 S1175 E1177 A1183 R1252 L1255 L1256 L1259 L1266 | L1166-L1179 HydrophobicContact CD1-CB 4.02Å; L1166-L1179 HydrophobicContact CD1-CD1 4.24Å; S1175-L1179 WeakPolarHBondContact O-CB 3.36Å; S1175-L1179 PolarHBondContact O-N 3.34Å; E1177-L1179 VanDerWaalsContact C-N 3.32Å; E1177-L1179 PolarHBondContact O-N 2.91Å; L1179-A1183 WeakPolarHBondContact O-CB 3.36Å; L1179-A1183 PolarHBondContact O-N 3.21Å; L1179-A1183 VanDerWaalsContact O-N 3.13Å; L1179-R1252 HydrophobicContact CD1-CG 4.48Å; L1179-R1252 HydrophobicContact CD2-CG 3.97Å; L1179-R1252 HydrophobicContact CG-CG 3.91Å; L1179-L1255 HydrophobicContact CD1-CB 3.43Å; L1179-L1255 VanDerWaalsContact CD1-CB 3.43Å; L1179-L1255 HydrophobicContact CD1-CD1 4.21Å; L1179-L1255 HydrophobicContact CD1-CG 4.49Å; L1179-L1256 HydrophobicContact CD2-CB 4.08Å; L1179-L1256 HydrophobicContact CD2-CD1 4.19Å; L1179-L1259 HydrophobicContact CB-CD1 4.43Å; L1179-L1259 HydrophobicContact CD1-CD1 4.1Å; L1179-L1259 HydrophobicContact CD2-CD1 4.17Å; L1179-L1259 HydrophobicContact CG-CD1 4.46Å; L1179-L1266 HydrophobicContact CD2-CD1 4.27Å |
| 1180 | S | 96.6 | Very high | 92 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -46.1 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | E1176 E1177 I1178 A1183 M1184 R1252 | E1176-S1180 PolarHBondContact O-N 2.82Å; E1176-S1180 PolarHBondContact O-OG 3.25Å; E1177-S1180 WeakPolarHBondContact O-CB 2.97Å; E1177-S1180 PolarHBondContact O-N 2.74Å; I1178-S1180 VanDerWaalsContact C-N 3.27Å; I1178-S1180 PolarHBondContact O-N 2.88Å; S1180-A1183 PolarHBondContact O-N 3.15Å; S1180-M1184 WeakPolarHBondContact O-CB 3.47Å; S1180-M1184 VanDerWaalsContact O-CG 3.23Å; S1180-M1184 WeakPolarHBondContact O-CG 3.41Å; S1180-M1184 PolarHBondContact O-N 3.18Å; S1180-R1252 PolarHBondContact OG-NH1 3.23Å |
| 1181 | I | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 179.8 | -68.4 | 167.7 | 0 | 0 | 0 | 110.3 | E1177 I1178 A1183 M1184 M1185 H1215 L1219 I1279 L1283 | E1177-I1181 WeakPolarHBondContact O-CG1 3.35Å; E1177-I1181 PolarHBondContact O-N 3.08Å; I1178-I1181 HydrophobicContact CD1-CD1 4.29Å; I1178-I1181 PolarHBondContact O-N 3.23Å; I1181-A1183 VanDerWaalsContact C-N 3.32Å; I1181-A1183 PolarHBondContact O-N 3.04Å; I1181-M1184 CarbonylContact O-C 3.43Å; I1181-M1184 WeakPolarHBondContact O-CA 3.26Å; I1181-M1184 WeakPolarHBondContact O-CB 3.45Å; I1181-M1184 PolarHBondContact O-N 2.95Å; I1181-M1185 HydrophobicContact CG2-CG 4.34Å; I1181-M1185 HydrophobicContact CG2-SD 3.72Å; I1181-M1185 VanDerWaalsContact O-CG 3.26Å; I1181-M1185 WeakPolarHBondContact O-CG 3.42Å; I1181-M1185 PolarHBondContact O-N 3.17Å; I1181-H1215 HydrophobicContact CD1-CB 4.49Å; I1181-H1215 HydrophobicContact CG2-CB 4.03Å; I1181-L1219 HydrophobicContact CD1-CB 4.33Å; I1181-L1219 HydrophobicContact CD1-CD2 4.46Å; I1181-L1219 HydrophobicContact CG1-CB 3.98Å; I1181-I1279 HydrophobicContact CD1-CG2 3.51Å; I1181-L1283 HydrophobicContact CG2-CD2 4.3Å |
| 1182 | V | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 179.4 | 171 | 0 | 0 | 0 | 0 | 111.1 | L1158 H1162 L1166 I1178 M1184 M1185 Q1186 L1255 | L1158-V1182 HydrophobicContact CD1-CG1 3.59Å; L1158-V1182 HydrophobicContact CD2-CG1 3.79Å; L1158-V1182 HydrophobicContact CG-CG1 4.35Å; H1162-V1182 HydrophobicContact CB-CG1 4.43Å; L1166-V1182 HydrophobicContact CB-CG2 4.37Å; I1178-V1182 HydrophobicContact CG2-CG2 3.99Å; I1178-V1182 WeakPolarHBondContact O-CB 3.34Å; I1178-V1182 VanDerWaalsContact O-CG2 3.3Å; I1178-V1182 WeakPolarHBondContact O-CG2 3.36Å; I1178-V1182 PolarHBondContact O-N 3.08Å; V1182-M1184 VanDerWaalsContact C-N 3.32Å; V1182-M1184 PolarHBondContact O-N 3.49Å; V1182-M1185 PolarHBondContact O-N 3.49Å; V1182-Q1186 WeakPolarHBondContact O-CG 3.31Å; V1182-Q1186 PolarHBondContact O-N 3.01Å; V1182-L1255 HydrophobicContact CG1-CD1 4.06Å |
| 1183 | A | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1179 S1180 I1181 Q1186 A1248 I1251 R1252 | L1179-A1183 WeakPolarHBondContact O-CB 3.36Å; L1179-A1183 PolarHBondContact O-N 3.21Å; L1179-A1183 VanDerWaalsContact O-N 3.13Å; S1180-A1183 PolarHBondContact O-N 3.15Å; I1181-A1183 VanDerWaalsContact C-N 3.32Å; I1181-A1183 PolarHBondContact O-N 3.04Å; A1183-Q1186 PolarHBondContact O-N 2.73Å; A1183-A1248 WeakPolarHBondContact CB-O 3.49Å; A1183-I1251 HydrophobicContact CB-CB 4.38Å; A1183-I1251 HydrophobicContact CB-CG2 4.06Å; A1183-R1252 HydrophobicContact CB-CB 3.83Å |
| 1184 | M | 94.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | 175.1 | -71.5 | -68.9 | -73.1 | 0 | 0 | 112.9 | S1180 I1181 V1182 Q1186 I1187 V1190 M1218 V1221 F1222 L1245 A1248 | S1180-M1184 WeakPolarHBondContact O-CB 3.47Å; S1180-M1184 VanDerWaalsContact O-CG 3.23Å; S1180-M1184 WeakPolarHBondContact O-CG 3.41Å; S1180-M1184 PolarHBondContact O-N 3.18Å; I1181-M1184 CarbonylContact O-C 3.43Å; I1181-M1184 WeakPolarHBondContact O-CA 3.26Å; I1181-M1184 WeakPolarHBondContact O-CB 3.45Å; I1181-M1184 PolarHBondContact O-N 2.95Å; V1182-M1184 VanDerWaalsContact C-N 3.32Å; V1182-M1184 PolarHBondContact O-N 3.49Å; M1184-Q1186 PolarHBondContact O-N 3.43Å; M1184-I1187 HydrophobicContact CE-CD1 4.15Å; M1184-I1187 WeakPolarHBondContact O-CG1 3.13Å; M1184-I1187 PolarHBondContact O-N 3.07Å; M1184-I1187 HydrophobicContact SD-CD1 3.81Å; M1184-I1187 HydrophobicContact SD-CG1 4.47Å; M1184-V1190 HydrophobicContact CE-CB 4.42Å; M1184-V1190 HydrophobicContact CE-CG1 3.58Å; M1184-V1190 HydrophobicContact CE-CG2 3.91Å; M1184-M1218 HydrophobicContact CB-CB 3.92Å; M1184-M1218 HydrophobicContact CB-CG 4.38Å; M1184-M1218 HydrophobicContact CB-SD 3.96Å; M1184-M1218 HydrophobicContact CE-CB 4.16Å; M1184-M1218 HydrophobicContact CG-CB 4.3Å; M1184-V1221 HydrophobicContact CE-CG1 4.45Å; M1184-F1222 HydrophobicContact CE-CB 4.41Å; M1184-F1222 HydrophobicContact CG-CB 3.99Å; M1184-F1222 HydrophobicContact CG-CD2 4.09Å; M1184-F1222 HydrophobicContact CG-CG 4.21Å; M1184-F1222 HydrophobicContact SD-CB 3.98Å; M1184-F1222 HydrophobicContact SD-CD2 3.62Å; M1184-F1222 HydrophobicContact SD-CG 4.17Å; M1184-L1245 HydrophobicContact CE-CD2 3.6Å; M1184-L1245 HydrophobicContact SD-CD2 3.67Å; M1184-A1248 HydrophobicContact SD-CB 3.77Å |
| 1185 | M | 92.2 | Very high | 88.5 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -21.9 | 174.6 | -66.6 | 162.9 | 109.9 | 0 | 0 | 112.4 | I1181 V1182 I1187 H1215 M1218 F1287 T1330 | I1181-M1185 HydrophobicContact CG2-CG 4.34Å; I1181-M1185 HydrophobicContact CG2-SD 3.72Å; I1181-M1185 VanDerWaalsContact O-CG 3.26Å; I1181-M1185 WeakPolarHBondContact O-CG 3.42Å; I1181-M1185 PolarHBondContact O-N 3.17Å; V1182-M1185 PolarHBondContact O-N 3.49Å; M1185-I1187 VanDerWaalsContact C-N 3.28Å; M1185-I1187 PolarHBondContact O-N 3.36Å; M1185-H1215 WeakPolarHBondContact CE-CD2 3.07Å; M1185-H1215 WeakPolarHBondContact CE-NE2 3.47Å; M1185-M1218 HydrophobicContact CG-SD 4.25Å; M1185-F1287 HydrophobicContact CE-CE2 3.84Å; M1185-F1287 HydrophobicContact CE-CZ 3.63Å; M1185-T1330 HydrophobicContact CE-CG2 3.64Å; M1185-T1330 WeakPolarHBondContact CE-OG1 3.33Å |
| 1186 | Q | 88.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 37 Ų | 37 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -5 | 176.2 | -59.2 | -44.4 | -78.3 | 0 | 0 | 113.7 | L1158 V1182 A1183 M1184 I1251 | L1158-Q1186 HydrophobicContact CD2-CG 3.86Å; V1182-Q1186 WeakPolarHBondContact O-CG 3.31Å; V1182-Q1186 PolarHBondContact O-N 3.01Å; A1183-Q1186 PolarHBondContact O-N 2.73Å; M1184-Q1186 PolarHBondContact O-N 3.43Å; Q1186-I1251 HydrophobicContact CB-CD1 3.79Å; Q1186-I1251 HydrophobicContact CB-CG2 4.49Å; Q1186-I1251 HydrophobicContact CG-CG2 4.32Å |
| 1187 | I | 84.2 | Confident | 86.7 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -107.2 | 146.3 | 179 | 64.9 | 159.8 | 0 | 0 | 0 | 111.1 | M1184 M1185 V1190 G1244 R1247 A1248 I1251 | M1184-I1187 HydrophobicContact CE-CD1 4.15Å; M1184-I1187 WeakPolarHBondContact O-CG1 3.13Å; M1184-I1187 PolarHBondContact O-N 3.07Å; M1184-I1187 HydrophobicContact SD-CD1 3.81Å; M1184-I1187 HydrophobicContact SD-CG1 4.47Å; M1185-I1187 VanDerWaalsContact C-N 3.28Å; M1185-I1187 PolarHBondContact O-N 3.36Å; I1187-V1190 HydrophobicContact CD1-CG2 3.95Å; I1187-V1190 HydrophobicContact CG1-CG2 4.12Å; I1187-G1244 WeakPolarHBondContact CD1-O 3.46Å; I1187-G1244 WeakPolarHBondContact CG2-O 3.46Å; I1187-R1247 HydrophobicContact CG2-CB 4.43Å; I1187-R1247 HydrophobicContact CG2-CG 4.44Å; I1187-A1248 HydrophobicContact CD1-CB 4.23Å; I1187-A1248 HydrophobicContact CG2-CB 4.09Å; I1187-I1251 HydrophobicContact CG2-CD1 4.41Å |
| 1188 | Q | 75.1 | Confident | 85.9 | Confident | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -94.2 | 148.1 | 177.4 | -65.7 | -178.7 | -11.4 | 0 | 0 | 110.7 | N1241 | Q1188-N1241 PolarHBondContact O-ND2 3.06Š|
| 1189 | N | 75.8 | Confident | 85.4 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | trans | 53.6 | 58.1 | 171.8 | -61 | -21.2 | 0 | 0 | 0 | 113.8 | F1191 N1241 | N1189-F1191 PolarHBondContact O-N 3.38Å; N1189-N1241 WeakPolarHBondContact O-CB 3.4Å | ||
| 1190 | V | 87 | Confident | 85 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -50.2 | -45.1 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | M1184 I1187 V1221 V1240 N1241 | M1184-V1190 HydrophobicContact CE-CB 4.42Å; M1184-V1190 HydrophobicContact CE-CG1 3.58Å; M1184-V1190 HydrophobicContact CE-CG2 3.91Å; I1187-V1190 HydrophobicContact CD1-CG2 3.95Å; I1187-V1190 HydrophobicContact CG1-CG2 4.12Å; V1190-V1221 HydrophobicContact CG1-CG1 4.18Å; V1190-V1240 WeakPolarHBondContact O-CA 3.45Å; V1190-N1241 PolarHBondContact O-N 3.03Å |
| 1191 | F | 89.1 | Confident | 84.5 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 132.7 | 175.5 | -60.6 | -78.7 | 0 | 0 | 0 | 110.6 | N1189 K1205 F1208 T1217 V1221 V1240 | N1189-F1191 PolarHBondContact O-N 3.38Å; F1191-K1205 HydrophobicContact CB-CD 4.35Å; F1191-K1205 HydrophobicContact CD1-CB 3.98Å; F1191-K1205 HydrophobicContact CD1-CD 4.16Å; F1191-K1205 HydrophobicContact CD1-CG 3.86Å; F1191-K1205 HydrophobicContact CD2-CD 3.9Å; F1191-K1205 HydrophobicContact CD2-CG 4.25Å; F1191-K1205 HydrophobicContact CE1-CB 4.12Å; F1191-K1205 HydrophobicContact CE1-CD 4.45Å; F1191-K1205 HydrophobicContact CE1-CG 3.8Å; F1191-K1205 HydrophobicContact CE2-CD 4.2Å; F1191-K1205 HydrophobicContact CE2-CG 4.19Å; F1191-K1205 HydrophobicContact CG-CD 3.86Å; F1191-K1205 HydrophobicContact CG-CG 4.08Å; F1191-K1205 HydrophobicContact CZ-CD 4.46Å; F1191-K1205 HydrophobicContact CZ-CG 3.96Å; F1191-F1208 HydrophobicContact CE1-CD2 4.08Å; F1191-F1208 HydrophobicContact CZ-CB 4.45Å; F1191-T1217 HydrophobicContact CE2-CG2 4.02Å; F1191-T1217 HydrophobicContact CZ-CG2 3.76Å; F1191-V1221 HydrophobicContact CE1-CG2 3.77Å; F1191-V1221 HydrophobicContact CZ-CG2 3.52Å; F1191-V1240 HydrophobicContact CD1-CG1 4Å; F1191-V1240 HydrophobicContact CE1-CG1 4.14Å |
| 1192 | L | 83.4 | Confident | 84.1 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | trans | -95.3 | 140.5 | 176.2 | -58.7 | 176.8 | 0 | 0 | 0 | 109.5 | Y1239 N1241 | L1192-Y1239 PolarHBondContact N-O 3.26Å; L1192-Y1239 WeakPolarHBondContact O-CB 3.29Å; L1192-N1241 HydrophobicContact CD2-CB 4.02Å; L1192-N1241 HydrophobicContact CG-CB 4.21Å | ||
| 1193 | T | 81.3 | Confident | 83.8 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | trans | -122.5 | 86.6 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | K1198 | T1193-K1198 HydrophobicContact CG2-CB 4.04Å; T1193-K1198 HydrophobicContact CG2-CG 3.86Å | ||
| 1194 | P | 73.4 | Confident | 83.7 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | trans | -64.5 | 141.8 | -179.6 | -19.5 | 32.4 | 0 | 0 | 0 | 111.5 | G1196 Q1197 Y1239 | P1194-G1196 PolarHBondContact O-N 3.19Å; P1194-Q1197 HydrophobicContact CB-CB 4.36Å; P1194-Q1197 PolarHBondContact O-N 3.38Å; P1194-Y1239 HydrophobicContact CG-CD1 3.57Å; P1194-Y1239 HydrophobicContact CG-CE1 3.8Å | ||
| 1195 | V | 68.1 | Low | 83.5 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 67% | 0.667 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 126.9 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | Q1197 | V1195-Q1197 PolarHBondContact O-N 2.91Š|
| 1196 | G | 72.3 | Confident | 83.4 | Confident | 80 Ų | 80 | 72.5 Ų | 72.5 | 83% | 0.825 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -10.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P1194 | P1194-G1196 PolarHBondContact O-N 3.19Š|
| 1197 | Q | 80.8 | Confident | 83.5 | Confident | 93 Ų | 93 | 77 Ų | 77 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | trans | -117.7 | 19.4 | 179.8 | -60.2 | -173.6 | 36 | 0 | 0 | 113.6 | P1194 V1195 H1199 R1200 A1201 Y1239 | P1194-Q1197 HydrophobicContact CB-CB 4.36Å; P1194-Q1197 PolarHBondContact O-N 3.38Å; V1195-Q1197 PolarHBondContact O-N 2.91Å; Q1197-H1199 VanDerWaalsContact C-N 3.34Å; Q1197-H1199 PolarHBondContact O-N 2.83Å; Q1197-R1200 PolarHBondContact O-N 2.92Å; Q1197-R1200 VanDerWaalsContact O-N 3.13Å; Q1197-A1201 PolarHBondContact O-N 2.98Å; Q1197-Y1239 HydrophobicContact CB-CE1 4.2Å; Q1197-Y1239 PolarHBondContact OE1-OH 3.13Å | ||
| 1198 | K | 80.5 | Confident | 83.9 | Confident | 125 Ų | 125 | 77 Ų | 77 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -51.1 | -48.2 | -176 | -177.5 | 175.3 | 176.3 | -178.8 | 0 | 113.2 | T1193 R1200 A1201 E1202 | T1193-K1198 HydrophobicContact CG2-CB 4.04Å; T1193-K1198 HydrophobicContact CG2-CG 3.86Å; K1198-R1200 PolarHBondContact O-N 2.83Å; K1198-A1201 PolarHBondContact O-N 2.83Å; K1198-E1202 WeakPolarHBondContact CE-OE1 3.47Å; K1198-E1202 WeakPolarHBondContact O-CG 3.44Å; K1198-E1202 PolarHBondContact O-N 2.86Å |
| 1199 | H | 86.6 | Confident | 84.6 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 63% | 0.634 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | -178.9 | -174.3 | 57.4 | 0 | 0 | 0 | 112.7 | Q1197 E1202 I1203 | Q1197-H1199 VanDerWaalsContact C-N 3.34Å; Q1197-H1199 PolarHBondContact O-N 2.83Å; H1199-E1202 PolarHBondContact O-N 2.8Å; H1199-I1203 WeakPolarHBondContact O-CG1 3.2Å; H1199-I1203 PolarHBondContact O-N 3.01Å |
| 1200 | R | 88.3 | Confident | 85.3 | Confident | 140 Ų | 140 | 71.5 Ų | 71.5 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 178.5 | -169.4 | 173.1 | 162.6 | 171.5 | -0.4 | 111.7 | Q1197 K1198 I1203 M1204 Y1239 | Q1197-R1200 PolarHBondContact O-N 2.92Å; Q1197-R1200 VanDerWaalsContact O-N 3.13Å; K1198-R1200 PolarHBondContact O-N 2.83Å; R1200-I1203 PolarHBondContact O-N 3.41Å; R1200-M1204 WeakPolarHBondContact O-CG 3.25Å; R1200-M1204 PolarHBondContact O-N 3.11Å; R1200-Y1239 HydrophobicContact CB-CE2 4.34Å; R1200-Y1239 WeakPolarHBondContact CD-OH 3.3Å; R1200-Y1239 HydrophobicContact CG-CE2 3.83Å; R1200-Y1239 WeakPolarHBondContact CG-OH 3.43Å; R1200-Y1239 PolarHBondContact NE-OH 3.28Å |
| 1201 | A | 86.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 76.2 Ų | 76.2 | 5% | 0.05 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1197 K1198 M1204 K1205 Y1239 | Q1197-A1201 PolarHBondContact O-N 2.98Å; K1198-A1201 PolarHBondContact O-N 2.83Å; A1201-M1204 PolarHBondContact O-N 3.05Å; A1201-K1205 WeakPolarHBondContact O-CB 3.44Å; A1201-K1205 PolarHBondContact O-N 2.88Å; A1201-Y1239 HydrophobicContact CB-CD1 4.06Å; A1201-Y1239 HydrophobicContact CB-CD2 4.11Å; A1201-Y1239 HydrophobicContact CB-CG 3.81Å |
| 1202 | E | 86.9 | Confident | 85.3 | Confident | 68 Ų | 68 | 76 Ų | 76 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.1 | -76.2 | 173.9 | -177.2 | 0 | 0 | 112.2 | K1198 H1199 M1204 K1205 R1206 | K1198-E1202 WeakPolarHBondContact CE-OE1 3.47Å; K1198-E1202 WeakPolarHBondContact O-CG 3.44Å; K1198-E1202 PolarHBondContact O-N 2.86Å; H1199-E1202 PolarHBondContact O-N 2.8Å; E1202-M1204 PolarHBondContact O-N 2.81Å; E1202-K1205 PolarHBondContact O-N 3.14Å; E1202-R1206 WeakPolarHBondContact O-CG 3.49Å; E1202-R1206 PolarHBondContact O-N 3.05Å |
| 1203 | I | 90.6 | Very high | 85.7 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.1 | -68.5 | 165.6 | 0 | 0 | 0 | 111 | H1199 R1200 R1206 K1207 | H1199-I1203 WeakPolarHBondContact O-CG1 3.2Å; H1199-I1203 PolarHBondContact O-N 3.01Å; R1200-I1203 PolarHBondContact O-N 3.41Å; I1203-R1206 PolarHBondContact O-N 3.4Å; I1203-K1207 PolarHBondContact O-N 2.9Å |
| 1204 | M | 91.6 | Very high | 86.2 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 14% | 0.138 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 178.6 | -66.6 | -55.1 | -177.3 | 0 | 0 | 111.9 | R1200 A1201 E1202 R1206 K1207 F1208 Y1239 | R1200-M1204 WeakPolarHBondContact O-CG 3.25Å; R1200-M1204 PolarHBondContact O-N 3.11Å; A1201-M1204 PolarHBondContact O-N 3.05Å; E1202-M1204 PolarHBondContact O-N 2.81Å; M1204-R1206 VanDerWaalsContact C-N 3.32Å; M1204-R1206 PolarHBondContact O-N 2.82Å; M1204-K1207 WeakPolarHBondContact O-CB 3.24Å; M1204-K1207 PolarHBondContact O-N 2.71Å; M1204-K1207 HydrophobicContact SD-CD 4.03Å; M1204-K1207 PolarHBondContact SD-NZ 3Å; M1204-F1208 VanDerWaalsContact O-CD2 3.24Å; M1204-F1208 WeakPolarHBondContact O-CD2 3.3Å; M1204-Y1239 HydrophobicContact CB-CD2 4.01Å; M1204-Y1239 HydrophobicContact CG-CD2 3.8Å; M1204-Y1239 HydrophobicContact CG-CE2 3.96Å |
| 1205 | K | 91 | Very high | 87.3 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 15% | 0.148 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 174 | 176.9 | 170.7 | -175.6 | 171.9 | 0 | 112 | F1191 A1201 E1202 K1207 F1208 S1209 G1314 | F1191-K1205 HydrophobicContact CB-CD 4.35Å; F1191-K1205 HydrophobicContact CD1-CB 3.98Å; F1191-K1205 HydrophobicContact CD1-CD 4.16Å; F1191-K1205 HydrophobicContact CD1-CG 3.86Å; F1191-K1205 HydrophobicContact CD2-CD 3.9Å; F1191-K1205 HydrophobicContact CD2-CG 4.25Å; F1191-K1205 HydrophobicContact CE1-CB 4.12Å; F1191-K1205 HydrophobicContact CE1-CD 4.45Å; F1191-K1205 HydrophobicContact CE1-CG 3.8Å; F1191-K1205 HydrophobicContact CE2-CD 4.2Å; F1191-K1205 HydrophobicContact CE2-CG 4.19Å; F1191-K1205 HydrophobicContact CG-CD 3.86Å; F1191-K1205 HydrophobicContact CG-CG 4.08Å; F1191-K1205 HydrophobicContact CZ-CD 4.46Å; F1191-K1205 HydrophobicContact CZ-CG 3.96Å; A1201-K1205 WeakPolarHBondContact O-CB 3.44Å; A1201-K1205 PolarHBondContact O-N 2.88Å; E1202-K1205 PolarHBondContact O-N 3.14Å; K1205-K1207 PolarHBondContact O-N 2.75Å; K1205-F1208 PolarHBondContact O-N 3.35Å; K1205-S1209 PolarHBondContact O-N 3.42Å; K1205-S1209 PolarHBondContact O-OG 3.46Å; K1205-G1314 WeakPolarHBondContact CE-O 3.18Å; K1205-G1314 PolarHBondContact NZ-O 3.31Å |
| 1206 | R | 90.3 | Very high | 88.5 | Confident | 143 Ų | 143 | 61.5 Ų | 61.5 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.2 | -33.7 | 178.3 | -78.5 | 178 | -177.4 | -175.6 | 2.6 | 112.7 | E1202 I1203 M1204 F1208 S1209 Y1319 | E1202-R1206 WeakPolarHBondContact O-CG 3.49Å; E1202-R1206 PolarHBondContact O-N 3.05Å; I1203-R1206 PolarHBondContact O-N 3.4Å; M1204-R1206 VanDerWaalsContact C-N 3.32Å; M1204-R1206 PolarHBondContact O-N 2.82Å; R1206-F1208 PolarHBondContact O-N 2.84Å; R1206-S1209 PolarHBondContact O-N 2.99Å; R1206-S1209 VanDerWaalsContact O-N 3.16Å; R1206-Y1319 HydrophobicContact CG-CD1 4.1Å; R1206-Y1319 HydrophobicContact CG-CD2 4.03Å; R1206-Y1319 HydrophobicContact CG-CE1 3.75Å; R1206-Y1319 HydrophobicContact CG-CE2 3.66Å; R1206-Y1319 HydrophobicContact CG-CG 4.23Å; R1206-Y1319 VanDerWaalsContact NE-CE1 3.29Å |
| 1207 | K | 91.3 | Very high | 89.6 | Confident | 137 Ų | 137 | 57.7 Ų | 57.7 | 60% | 0.596 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.2 | 178.3 | -64 | -179.5 | 177.9 | 179.2 | 0 | 114.2 | I1203 M1204 K1205 | I1203-K1207 PolarHBondContact O-N 2.9Å; M1204-K1207 WeakPolarHBondContact O-CB 3.24Å; M1204-K1207 PolarHBondContact O-N 2.71Å; M1204-K1207 HydrophobicContact SD-CD 4.03Å; M1204-K1207 PolarHBondContact SD-NZ 3Å; K1205-K1207 PolarHBondContact O-N 2.75Å |
| 1208 | F | 91.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 54 Ų | 54 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -16.6 | 177.4 | -58 | -74.7 | 0 | 0 | 0 | 113.1 | F1191 M1204 K1205 R1206 T1217 N1220 V1221 C1224 W1234 H1238 | F1191-F1208 HydrophobicContact CE1-CD2 4.08Å; F1191-F1208 HydrophobicContact CZ-CB 4.45Å; M1204-F1208 VanDerWaalsContact O-CD2 3.24Å; M1204-F1208 WeakPolarHBondContact O-CD2 3.3Å; K1205-F1208 PolarHBondContact O-N 3.35Å; R1206-F1208 PolarHBondContact O-N 2.84Å; F1208-T1217 HydrophobicContact CB-CG2 4.34Å; F1208-N1220 PolarHBondContact O-ND2 3.4Å; F1208-N1220 VanDerWaalsContact O-ND2 3.13Å; F1208-V1221 HydrophobicContact CB-CG2 3.68Å; F1208-V1221 HydrophobicContact CD1-CG2 3.96Å; F1208-V1221 HydrophobicContact CD2-CG2 4.12Å; F1208-V1221 HydrophobicContact CG-CG2 3.65Å; F1208-C1224 HydrophobicContact CE1-CB 4.12Å; F1208-W1234 AromaticContact CE1-CH2 3.97Å; F1208-W1234 HydrophobicContact CE1-CH2 3.97Å; F1208-W1234 AromaticContact CE1-CZ2 3.68Å; F1208-W1234 HydrophobicContact CE1-CZ2 3.68Å; F1208-W1234 AromaticContact CZ-CH2 3.87Å; F1208-W1234 HydrophobicContact CZ-CH2 3.87Å; F1208-W1234 AromaticContact CZ-CZ2 3.54Å; F1208-W1234 HydrophobicContact CZ-CZ2 3.54Å; F1208-H1238 HydrophobicContact CE2-CB 3.97Å; F1208-H1238 AromaticContact CE2-CD2 3.81Å; F1208-H1238 HydrophobicContact CZ-CB 4.04Å; F1208-H1238 AromaticContact CZ-CD2 3.51Å; F1208-H1238 AromaticContact CZ-CG 3.93Å |
| 1209 | S | 90.7 | Very high | 91 | Very high | 26 Ų | 26 | 48.9 Ų | 48.9 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | trans | -73.4 | 134.9 | -169.4 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | K1205 R1206 T1217 Y1319 | K1205-S1209 PolarHBondContact O-N 3.42Å; K1205-S1209 PolarHBondContact O-OG 3.46Å; R1206-S1209 PolarHBondContact O-N 2.99Å; R1206-S1209 VanDerWaalsContact O-N 3.16Å; S1209-T1217 WeakPolarHBondContact CA-OG1 3.32Å; S1209-Y1319 WeakPolarHBondContact OG-CE2 3.41Å | ||
| 1210 | T | 89.9 | Confident | 91.4 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -107.9 | 148.1 | 173.3 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | D1212 G1213 L1216 T1217 N1220 | T1210-D1212 PolarHBondContact O-N 3.38Å; T1210-G1213 PolarHBondContact O-N 2.83Å; T1210-G1213 PolarHBondContact OG1-N 3.07Å; T1210-G1213 PolarHBondContact OG1-O 3.14Å; T1210-L1216 HydrophobicContact CG2-CB 4.16Å; T1210-L1216 VanDerWaalsContact OG1-CB 3.31Å; T1210-L1216 WeakPolarHBondContact OG1-CB 3.29Å; T1210-T1217 PolarHBondContact N-OG1 2.77Å; T1210-N1220 WeakPolarHBondContact CG2-ND2 3.07Å |
| 1211 | E | 86.2 | Confident | 91.7 | Very high | 109 Ų | 109 | 38.7 Ų | 38.7 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.8 | 176.1 | -63.9 | -166.5 | 175.1 | 0 | 0 | 112.5 | G1213 I1317 R1320 | E1211-G1213 VanDerWaalsContact C-N 3.31Å; E1211-G1213 PolarHBondContact O-N 3.08Å; E1211-I1317 WeakPolarHBondContact O-CD1 3.38Å; E1211-R1320 HydrophobicContact CB-CG 4.48Å; E1211-R1320 IonicContact OE2-NE 2.79Å |
| 1212 | D | 89.3 | Confident | 92.1 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 19% | 0.187 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.7 | 175.8 | -73.9 | -85.7 | 0 | 0 | 0 | 114.4 | T1210 L1216 K1280 S1341 V1342 | T1210-D1212 PolarHBondContact O-N 3.38Å; D1212-L1216 HydrophobicContact CB-CD1 3.39Å; D1212-K1280 IonicContact OD1-NZ 2.69Å; D1212-K1280 PolarHBondContact OD1-NZ 3.3Å; D1212-S1341 WeakPolarHBondContact O-CA 3.46Å; D1212-V1342 PolarHBondContact O-N 2.64Å |
| 1213 | G | 91.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | 140 | 178.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | T1210 E1211 H1215 T1217 I1340 | T1210-G1213 PolarHBondContact O-N 2.83Å; T1210-G1213 PolarHBondContact OG1-N 3.07Å; T1210-G1213 PolarHBondContact OG1-O 3.14Å; E1211-G1213 VanDerWaalsContact C-N 3.31Å; E1211-G1213 PolarHBondContact O-N 3.08Å; G1213-H1215 PolarHBondContact O-N 2.8Å; G1213-T1217 PolarHBondContact O-N 3.41Å; G1213-T1217 VanDerWaalsContact O-N 3.13Å; G1213-T1217 PolarHBondContact O-OG1 3.29Å; G1213-I1340 CarbonylContact C-O 3.54Å; G1213-I1340 WeakPolarHBondContact CA-O 3.36Å |
| 1214 | D | 93.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.7 | -33.2 | -177 | -68.1 | -46.6 | 0 | 0 | 0 | 112.5 | T1217 M1218 S1315 A1316 I1340 | D1214-T1217 CarbonylContact O-C 3.47Å; D1214-T1217 WeakPolarHBondContact O-CA 3.46Å; D1214-T1217 VanDerWaalsContact O-CB 3.27Å; D1214-T1217 WeakPolarHBondContact O-CB 3.36Å; D1214-T1217 PolarHBondContact O-N 2.89Å; D1214-M1218 WeakPolarHBondContact O-CG 3.37Å; D1214-M1218 PolarHBondContact O-N 3.25Å; D1214-S1315 WeakPolarHBondContact OD1-CA 3.49Å; D1214-S1315 PolarHBondContact OD1-OG 2.82Å; D1214-S1315 WeakPolarHBondContact OD2-CB 3.27Å; D1214-S1315 PolarHBondContact OD2-OG 3.42Å; D1214-A1316 WeakPolarHBondContact OD1-CB 3.35Å; D1214-A1316 PolarHBondContact OD1-N 2.87Å; D1214-I1340 PolarHBondContact N-O 3.47Å; D1214-I1340 PolarHBondContact OD2-N 3.08Å |
| 1215 | H | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 179.4 | -58.9 | 101.6 | 0 | 0 | 0 | 112.2 | I1181 M1185 G1213 T1217 M1218 L1219 L1283 T1330 D1339 S1341 | I1181-H1215 HydrophobicContact CD1-CB 4.49Å; I1181-H1215 HydrophobicContact CG2-CB 4.03Å; M1185-H1215 WeakPolarHBondContact CE-CD2 3.07Å; M1185-H1215 WeakPolarHBondContact CE-NE2 3.47Å; G1213-H1215 PolarHBondContact O-N 2.8Å; H1215-T1217 VanDerWaalsContact C-N 3.31Å; H1215-M1218 WeakPolarHBondContact O-CB 3.49Å; H1215-M1218 PolarHBondContact O-N 2.81Å; H1215-L1219 PolarHBondContact O-N 2.74Å; H1215-L1219 VanDerWaalsContact O-N 3.08Å; H1215-L1283 HydrophobicContact CB-CD1 3.7Å; H1215-T1330 PolarHBondContact NE2-OG1 3.32Å; H1215-D1339 PolarHBondContact CE1-O 3.07Å; H1215-D1339 PolarHBondContact NE2-O 3.34Å; H1215-S1341 WeakPolarHBondContact ND1-CB 3.49Å; H1215-S1341 PolarHBondContact ND1-OG 3.17Å |
| 1216 | L | 94.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.6 | -34.7 | 175.1 | -70.4 | 167.3 | 0 | 0 | 0 | 111 | T1210 D1212 M1218 L1219 N1220 E1276 I1279 | T1210-L1216 HydrophobicContact CG2-CB 4.16Å; T1210-L1216 VanDerWaalsContact OG1-CB 3.31Å; T1210-L1216 WeakPolarHBondContact OG1-CB 3.29Å; D1212-L1216 HydrophobicContact CB-CD1 3.39Å; L1216-M1218 VanDerWaalsContact C-N 3.32Å; L1216-M1218 PolarHBondContact O-N 2.8Å; L1216-L1219 HydrophobicContact CD2-CD2 4.37Å; L1216-L1219 WeakPolarHBondContact O-CB 3.44Å; L1216-L1219 PolarHBondContact O-N 3.01Å; L1216-N1220 PolarHBondContact O-N 3.41Å; L1216-E1276 HydrophobicContact CD1-CB 4.46Å; L1216-E1276 HydrophobicContact CD1-CG 4.42Å; L1216-I1279 HydrophobicContact CD2-CB 4.38Å; L1216-I1279 HydrophobicContact CD2-CD1 3.79Å; L1216-I1279 HydrophobicContact CD2-CG2 3.97Å |
| 1217 | T | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -42.2 | 170.6 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | F1191 F1208 S1209 T1210 G1213 D1214 H1215 N1220 V1221 | F1191-T1217 HydrophobicContact CE2-CG2 4.02Å; F1191-T1217 HydrophobicContact CZ-CG2 3.76Å; F1208-T1217 HydrophobicContact CB-CG2 4.34Å; S1209-T1217 WeakPolarHBondContact CA-OG1 3.32Å; T1210-T1217 PolarHBondContact N-OG1 2.77Å; G1213-T1217 PolarHBondContact O-N 3.41Å; G1213-T1217 VanDerWaalsContact O-N 3.13Å; G1213-T1217 PolarHBondContact O-OG1 3.29Å; D1214-T1217 CarbonylContact O-C 3.47Å; D1214-T1217 WeakPolarHBondContact O-CA 3.46Å; D1214-T1217 VanDerWaalsContact O-CB 3.27Å; D1214-T1217 WeakPolarHBondContact O-CB 3.36Å; D1214-T1217 PolarHBondContact O-N 2.89Å; H1215-T1217 VanDerWaalsContact C-N 3.31Å; T1217-N1220 PolarHBondContact O-N 3.01Å; T1217-V1221 WeakPolarHBondContact O-CG2 3.45Å; T1217-V1221 PolarHBondContact O-N 3.43Å; T1217-V1221 VanDerWaalsContact O-N 3.11Å |
| 1218 | M | 94.8 | Very high | 93 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 7% | 0.069 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 174.9 | -68 | -177.3 | -166.2 | 0 | 0 | 112.1 | M1184 M1185 D1214 H1215 L1216 N1220 V1221 F1222 D1339 | M1184-M1218 HydrophobicContact CB-CB 3.92Å; M1184-M1218 HydrophobicContact CB-CG 4.38Å; M1184-M1218 HydrophobicContact CB-SD 3.96Å; M1184-M1218 HydrophobicContact CE-CB 4.16Å; M1184-M1218 HydrophobicContact CG-CB 4.3Å; M1185-M1218 HydrophobicContact CG-SD 4.25Å; D1214-M1218 WeakPolarHBondContact O-CG 3.37Å; D1214-M1218 PolarHBondContact O-N 3.25Å; H1215-M1218 WeakPolarHBondContact O-CB 3.49Å; H1215-M1218 PolarHBondContact O-N 2.81Å; L1216-M1218 VanDerWaalsContact C-N 3.32Å; L1216-M1218 PolarHBondContact O-N 2.8Å; M1218-N1220 VanDerWaalsContact C-N 3.33Å; M1218-N1220 PolarHBondContact O-N 2.83Å; M1218-V1221 PolarHBondContact O-N 2.82Å; M1218-F1222 WeakPolarHBondContact O-CB 3.49Å; M1218-F1222 PolarHBondContact O-N 2.78Å; M1218-D1339 HydrophobicContact CE-CB 4.22Å; M1218-D1339 VanDerWaalsContact CE-CG 3.5Å; M1218-D1339 WeakPolarHBondContact CE-OD1 3.28Å |
| 1219 | L | 95.2 | Very high | 92.8 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 175.1 | -179.5 | 63.9 | 0 | 0 | 0 | 111.5 | E1177 I1181 H1215 L1216 F1222 T1223 I1279 | E1177-L1219 HydrophobicContact CB-CD1 4.16Å; E1177-L1219 HydrophobicContact CB-CD2 3.85Å; E1177-L1219 HydrophobicContact CG-CD1 4.38Å; E1177-L1219 HydrophobicContact CG-CD2 3.86Å; I1181-L1219 HydrophobicContact CD1-CB 4.33Å; I1181-L1219 HydrophobicContact CD1-CD2 4.46Å; I1181-L1219 HydrophobicContact CG1-CB 3.98Å; H1215-L1219 PolarHBondContact O-N 2.74Å; H1215-L1219 VanDerWaalsContact O-N 3.08Å; L1216-L1219 HydrophobicContact CD2-CD2 4.37Å; L1216-L1219 WeakPolarHBondContact O-CB 3.44Å; L1216-L1219 PolarHBondContact O-N 3.01Å; L1219-F1222 PolarHBondContact O-N 2.96Å; L1219-T1223 VanDerWaalsContact O-CB 3.32Å; L1219-T1223 WeakPolarHBondContact O-CB 3.49Å; L1219-T1223 PolarHBondContact O-N 3.33Å; L1219-T1223 PolarHBondContact O-OG1 3.03Å; L1219-I1279 HydrophobicContact CD2-CD1 4.03Å |
| 1220 | N | 94.9 | Very high | 92.8 | Very high | 63 Ų | 63 | 42 Ų | 42 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 177 | -72.9 | -12.7 | 0 | 0 | 0 | 111.9 | F1208 T1210 L1216 T1217 M1218 F1222 T1223 C1224 | F1208-N1220 PolarHBondContact O-ND2 3.4Å; F1208-N1220 VanDerWaalsContact O-ND2 3.13Å; T1210-N1220 WeakPolarHBondContact CG2-ND2 3.07Å; L1216-N1220 PolarHBondContact O-N 3.41Å; T1217-N1220 PolarHBondContact O-N 3.01Å; M1218-N1220 VanDerWaalsContact C-N 3.33Å; M1218-N1220 PolarHBondContact O-N 2.83Å; N1220-F1222 VanDerWaalsContact C-N 3.34Å; N1220-F1222 PolarHBondContact O-N 3.39Å; N1220-T1223 PolarHBondContact O-N 2.86Å; N1220-C1224 WeakPolarHBondContact O-CB 3.34Å; N1220-C1224 PolarHBondContact O-N 3.13Å; N1220-C1224 PolarHBondContact O-SG 3.36Å; N1220-C1224 VanDerWaalsContact O-SG 3.35Å |
| 1221 | V | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | M1184 V1190 F1191 F1208 T1217 M1218 T1223 F1225 V1240 L1245 | M1184-V1221 HydrophobicContact CE-CG1 4.45Å; V1190-V1221 HydrophobicContact CG1-CG1 4.18Å; F1191-V1221 HydrophobicContact CE1-CG2 3.77Å; F1191-V1221 HydrophobicContact CZ-CG2 3.52Å; F1208-V1221 HydrophobicContact CB-CG2 3.68Å; F1208-V1221 HydrophobicContact CD1-CG2 3.96Å; F1208-V1221 HydrophobicContact CD2-CG2 4.12Å; F1208-V1221 HydrophobicContact CG-CG2 3.65Å; T1217-V1221 WeakPolarHBondContact O-CG2 3.45Å; T1217-V1221 PolarHBondContact O-N 3.43Å; T1217-V1221 VanDerWaalsContact O-N 3.11Å; M1218-V1221 PolarHBondContact O-N 2.82Å; V1221-T1223 PolarHBondContact O-N 3.46Å; V1221-F1225 VanDerWaalsContact O-CB 3.3Å; V1221-F1225 WeakPolarHBondContact O-CB 3.49Å; V1221-F1225 PolarHBondContact O-N 3.28Å; V1221-V1240 HydrophobicContact CG1-CB 4.41Å; V1221-V1240 HydrophobicContact CG1-CG1 3.97Å; V1221-L1245 HydrophobicContact CG1-CD1 4.28Å; V1221-L1245 HydrophobicContact CG1-CD2 4.01Å |
| 1222 | F | 95.2 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | -179.2 | -171.4 | -101.1 | 0 | 0 | 0 | 112.4 | M1184 M1218 L1219 N1220 N1226 A1248 V1249 | M1184-F1222 HydrophobicContact CE-CB 4.41Å; M1184-F1222 HydrophobicContact CG-CB 3.99Å; M1184-F1222 HydrophobicContact CG-CD2 4.09Å; M1184-F1222 HydrophobicContact CG-CG 4.21Å; M1184-F1222 HydrophobicContact SD-CB 3.98Å; M1184-F1222 HydrophobicContact SD-CD2 3.62Å; M1184-F1222 HydrophobicContact SD-CG 4.17Å; M1218-F1222 WeakPolarHBondContact O-CB 3.49Å; M1218-F1222 PolarHBondContact O-N 2.78Å; L1219-F1222 PolarHBondContact O-N 2.96Å; N1220-F1222 VanDerWaalsContact C-N 3.34Å; N1220-F1222 PolarHBondContact O-N 3.39Å; F1222-N1226 WeakPolarHBondContact CD1-ND2 3.47Å; F1222-N1226 WeakPolarHBondContact CE1-ND2 3.42Å; F1222-N1226 VanDerWaalsContact CZ-ND2 3.35Å; F1222-N1226 WeakPolarHBondContact CZ-ND2 3.25Å; F1222-N1226 PolarHBondContact O-N 2.68Å; F1222-N1226 VanDerWaalsContact O-N 3.16Å; F1222-N1226 PolarHBondContact O-ND2 3.16Å; F1222-A1248 HydrophobicContact CD2-CB 4.21Å; F1222-A1248 HydrophobicContact CE2-CB 3.9Å; F1222-V1249 HydrophobicContact CE2-CG2 3.71Å; F1222-V1249 HydrophobicContact CZ-CG2 3.83Å |
| 1223 | T | 94.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.1 | -50.6 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | L1219 N1220 V1221 F1225 N1226 E1227 | L1219-T1223 VanDerWaalsContact O-CB 3.32Å; L1219-T1223 WeakPolarHBondContact O-CB 3.49Å; L1219-T1223 PolarHBondContact O-N 3.33Å; L1219-T1223 PolarHBondContact O-OG1 3.03Å; N1220-T1223 PolarHBondContact O-N 2.86Å; V1221-T1223 PolarHBondContact O-N 3.46Å; T1223-F1225 VanDerWaalsContact C-N 3.31Å; T1223-F1225 PolarHBondContact O-N 2.93Å; T1223-N1226 PolarHBondContact O-N 3.05Å; T1223-E1227 HydrophobicContact CG2-CG 4.35Å; T1223-E1227 WeakPolarHBondContact CG2-OE1 3.48Å; T1223-E1227 WeakPolarHBondContact O-CB 3.45Å; T1223-E1227 WeakPolarHBondContact O-CG 3.24Å; T1223-E1227 PolarHBondContact O-N 3.5Å |
| 1224 | C | 94.4 | Very high | 92.9 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 176.6 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | F1208 N1220 N1226 E1227 R1228 W1234 | F1208-C1224 HydrophobicContact CE1-CB 4.12Å; N1220-C1224 WeakPolarHBondContact O-CB 3.34Å; N1220-C1224 PolarHBondContact O-N 3.13Å; N1220-C1224 PolarHBondContact O-SG 3.36Å; N1220-C1224 VanDerWaalsContact O-SG 3.35Å; C1224-N1226 VanDerWaalsContact C-N 3.34Å; C1224-N1226 PolarHBondContact O-N 3.27Å; C1224-E1227 PolarHBondContact O-N 2.93Å; C1224-R1228 VanDerWaalsContact O-CB 3.3Å; C1224-R1228 WeakPolarHBondContact O-CB 3.17Å; C1224-R1228 WeakPolarHBondContact O-CG 3.35Å; C1224-R1228 PolarHBondContact O-N 3.11Å; C1224-W1234 HydrophobicContact CB-CH2 3.82Å; C1224-W1234 HydrophobicContact CB-CZ2 3.6Å |
| 1225 | F | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 177 | 176.1 | -116.4 | 0 | 0 | 0 | 112.1 | V1221 T1223 R1230 W1234 C1235 Y1242 L1245 V1249 | V1221-F1225 VanDerWaalsContact O-CB 3.3Å; V1221-F1225 WeakPolarHBondContact O-CB 3.49Å; V1221-F1225 PolarHBondContact O-N 3.28Å; T1223-F1225 VanDerWaalsContact C-N 3.31Å; T1223-F1225 PolarHBondContact O-N 2.93Å; F1225-R1230 HydrophobicContact CD1-CG 4.14Å; F1225-R1230 HydrophobicContact CE1-CB 3.91Å; F1225-R1230 HydrophobicContact CE1-CG 3.67Å; F1225-R1230 VanDerWaalsContact CE2-CA 3.4Å; F1225-R1230 HydrophobicContact CE2-CB 3.82Å; F1225-R1230 HydrophobicContact CE2-CG 4.38Å; F1225-R1230 HydrophobicContact CZ-CB 3.48Å; F1225-R1230 VanDerWaalsContact CZ-CB 3.48Å; F1225-R1230 HydrophobicContact CZ-CG 3.81Å; F1225-R1230 WeakPolarHBondContact O-CA 3.4Å; F1225-R1230 PolarHBondContact O-N 2.92Å; F1225-W1234 HydrophobicContact CB-CH2 4.3Å; F1225-W1234 HydrophobicContact CB-CZ3 3.79Å; F1225-W1234 HydrophobicContact CD2-CE3 4.08Å; F1225-W1234 HydrophobicContact CD2-CZ3 4.02Å; F1225-W1234 HydrophobicContact CG-CZ3 4.4Å; F1225-C1235 VanDerWaalsContact CD2-SG 3.51Å; F1225-C1235 WeakPolarHBondContact CE2-SG 3.27Å; F1225-Y1242 AromaticContact CE2-CD2 3.8Å; F1225-Y1242 HydrophobicContact CE2-CD2 3.8Å; F1225-Y1242 AromaticContact CE2-CE2 4Å; F1225-Y1242 HydrophobicContact CE2-CE2 4Å; F1225-Y1242 AromaticContact CZ-CD2 3.95Å; F1225-Y1242 HydrophobicContact CZ-CD2 3.95Å; F1225-Y1242 AromaticContact CZ-CE2 3.9Å; F1225-Y1242 HydrophobicContact CZ-CE2 3.9Å; F1225-L1245 HydrophobicContact CB-CD1 4.08Å; F1225-L1245 HydrophobicContact CD1-CB 3.68Å; F1225-L1245 HydrophobicContact CD1-CD1 4.24Å; F1225-L1245 HydrophobicContact CD1-CG 4.42Å; F1225-L1245 HydrophobicContact CD2-CB 4.39Å; F1225-L1245 HydrophobicContact CD2-CD1 3.8Å; F1225-L1245 HydrophobicContact CE1-CB 3.55Å; F1225-L1245 HydrophobicContact CE2-CB 4.29Å; F1225-L1245 HydrophobicContact CE2-CD1 4.27Å; F1225-L1245 HydrophobicContact CG-CB 4.09Å; F1225-L1245 HydrophobicContact CG-CD1 3.77Å; F1225-L1245 HydrophobicContact CG-CG 4.43Å; F1225-L1245 HydrophobicContact CZ-CB 3.87Å; F1225-V1249 HydrophobicContact CE1-CG2 4.25Å |
| 1226 | N | 93.2 | Very high | 92.4 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.1 | -42.4 | 177.3 | -74 | -55 | 0 | 0 | 0 | 112.2 | F1222 T1223 C1224 R1228 G1229 R1230 | F1222-N1226 WeakPolarHBondContact CD1-ND2 3.47Å; F1222-N1226 WeakPolarHBondContact CE1-ND2 3.42Å; F1222-N1226 VanDerWaalsContact CZ-ND2 3.35Å; F1222-N1226 WeakPolarHBondContact CZ-ND2 3.25Å; F1222-N1226 PolarHBondContact O-N 2.68Å; F1222-N1226 VanDerWaalsContact O-N 3.16Å; F1222-N1226 PolarHBondContact O-ND2 3.16Å; T1223-N1226 PolarHBondContact O-N 3.05Å; C1224-N1226 VanDerWaalsContact C-N 3.34Å; C1224-N1226 PolarHBondContact O-N 3.27Å; N1226-R1228 PolarHBondContact O-N 3.49Å; N1226-G1229 PolarHBondContact O-N 2.86Å; N1226-G1229 VanDerWaalsContact O-N 3.11Å; N1226-R1230 PolarHBondContact OD1-NE 3.23Å; N1226-R1230 VanDerWaalsContact OD1-NE 3.13Å |
| 1227 | E | 92.7 | Very high | 92.2 | Very high | 114 Ų | 114 | 60 Ų | 60 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.9 | -28.3 | 177.5 | -72.5 | 176.2 | 171.1 | 0 | 0 | 112.3 | T1223 C1224 G1229 R1270 | T1223-E1227 HydrophobicContact CG2-CG 4.35Å; T1223-E1227 WeakPolarHBondContact CG2-OE1 3.48Å; T1223-E1227 WeakPolarHBondContact O-CB 3.45Å; T1223-E1227 WeakPolarHBondContact O-CG 3.24Å; T1223-E1227 PolarHBondContact O-N 3.5Å; C1224-E1227 PolarHBondContact O-N 2.93Å; E1227-G1229 VanDerWaalsContact C-N 3.28Å; E1227-G1229 PolarHBondContact O-N 3.31Å; E1227-R1270 IonicContact OE1-CZ 2.67Å; E1227-R1270 IonicContact OE1-NH1 3.66Å; E1227-R1270 PolarHBondContact OE1-NH1 3.5Å; E1227-R1270 IonicContact OE1-NH2 3.77Å; E1227-R1270 PolarHBondContact OE1-NH2 3.33Å |
| 1228 | R | 91.1 | Very high | 92 | Very high | 172 Ų | 172 | 61.9 Ų | 61.9 | 65% | 0.649 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 15 | 176.2 | -65.9 | -71.2 | -177 | 171.4 | -0.9 | 114 | C1224 N1226 R1230 W1234 | C1224-R1228 VanDerWaalsContact O-CB 3.3Å; C1224-R1228 WeakPolarHBondContact O-CB 3.17Å; C1224-R1228 WeakPolarHBondContact O-CG 3.35Å; C1224-R1228 PolarHBondContact O-N 3.11Å; N1226-R1228 PolarHBondContact O-N 3.49Å; R1228-R1230 VanDerWaalsContact C-N 3.28Å; R1228-R1230 PolarHBondContact O-N 2.94Å; R1228-W1234 HydrophobicContact CB-CD2 4.44Å; R1228-W1234 HydrophobicContact CB-CG 4.24Å; R1228-W1234 HydrophobicContact CG-CD2 4.38Å; R1228-W1234 HydrophobicContact CG-CG 4.23Å |
| 1229 | G | 87.7 | Confident | 91.8 | Very high | 66 Ų | 66 | 62 Ų | 62 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 25.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1226 E1227 D1231 | N1226-G1229 PolarHBondContact O-N 2.86Å; N1226-G1229 VanDerWaalsContact O-N 3.11Å; E1227-G1229 VanDerWaalsContact C-N 3.28Å; E1227-G1229 PolarHBondContact O-N 3.31Å; G1229-D1231 VanDerWaalsContact C-N 3.26Å; G1229-D1231 PolarHBondContact O-N 3.33Å |
| 1230 | R | 89.7 | Confident | 91.6 | Very high | 114 Ų | 114 | 61.2 Ų | 61.2 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 35.6 | 179.7 | -54.4 | 179.4 | -172.4 | 150.1 | 6.9 | 113.5 | F1225 N1226 R1228 I1232 Y1242 | F1225-R1230 HydrophobicContact CD1-CG 4.14Å; F1225-R1230 HydrophobicContact CE1-CB 3.91Å; F1225-R1230 HydrophobicContact CE1-CG 3.67Å; F1225-R1230 VanDerWaalsContact CE2-CA 3.4Å; F1225-R1230 HydrophobicContact CE2-CB 3.82Å; F1225-R1230 HydrophobicContact CE2-CG 4.38Å; F1225-R1230 HydrophobicContact CZ-CB 3.48Å; F1225-R1230 VanDerWaalsContact CZ-CB 3.48Å; F1225-R1230 HydrophobicContact CZ-CG 3.81Å; F1225-R1230 WeakPolarHBondContact O-CA 3.4Å; F1225-R1230 PolarHBondContact O-N 2.92Å; N1226-R1230 PolarHBondContact OD1-NE 3.23Å; N1226-R1230 VanDerWaalsContact OD1-NE 3.13Å; R1228-R1230 VanDerWaalsContact C-N 3.28Å; R1228-R1230 PolarHBondContact O-N 2.94Å; R1230-I1232 PolarHBondContact O-N 2.75Å; R1230-Y1242 VanDerWaalsContact O-CE2 3.29Å; R1230-Y1242 WeakPolarHBondContact O-CE2 3.45Å |
| 1231 | D | 87.7 | Confident | 91.1 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | trans | -67.3 | 125.5 | -176.6 | 179 | 16.4 | 0 | 0 | 0 | 112.9 | G1229 R1233 W1234 C1235 | G1229-D1231 VanDerWaalsContact C-N 3.26Å; G1229-D1231 PolarHBondContact O-N 3.33Å; D1231-R1233 VanDerWaalsContact C-N 3.28Å; D1231-R1233 PolarHBondContact O-N 2.72Å; D1231-R1233 WeakPolarHBondContact OD1-CB 3.31Å; D1231-R1233 PolarHBondContact OD1-N 3.07Å; D1231-W1234 HydrophobicContact CB-CB 3.97Å; D1231-W1234 PolarHBondContact O-N 2.96Å; D1231-W1234 PolarHBondContact OD2-N 2.61Å; D1231-C1235 PolarHBondContact O-N 3.07Å; D1231-C1235 VanDerWaalsContact O-N 3.16Å; D1231-C1235 PolarHBondContact O-SG 2.94Å; D1231-C1235 VanDerWaalsContact O-SG 3.36Å | ||
| 1232 | I | 88 | Confident | 90.7 | Very high | 83 Ų | 83 | 63.4 Ų | 63.4 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63 | -32.7 | 175 | -165.8 | 168.2 | 0 | 0 | 0 | 112.4 | R1230 C1235 K1236 Y1242 | R1230-I1232 PolarHBondContact O-N 2.75Å; I1232-C1235 PolarHBondContact O-N 3Å; I1232-K1236 PolarHBondContact O-N 2.87Å; I1232-K1236 VanDerWaalsContact O-N 3.11Å; I1232-Y1242 HydrophobicContact CB-CD1 4.5Å; I1232-Y1242 HydrophobicContact CB-CD2 4.31Å; I1232-Y1242 HydrophobicContact CB-CE1 4.43Å; I1232-Y1242 HydrophobicContact CB-CE2 4.26Å; I1232-Y1242 HydrophobicContact CB-CG 4.44Å; I1232-Y1242 HydrophobicContact CD1-CD1 3.91Å; I1232-Y1242 HydrophobicContact CD1-CE1 3.98Å; I1232-Y1242 HydrophobicContact CG1-CD1 3.91Å; I1232-Y1242 HydrophobicContact CG1-CD2 4.37Å; I1232-Y1242 HydrophobicContact CG1-CE1 4.2Å; I1232-Y1242 HydrophobicContact CG1-CG 4Å |
| 1233 | R | 89.7 | Confident | 90 | Very high | 142 Ų | 142 | 68.9 Ų | 68.9 | 54% | 0.536 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 177 | -67 | 175.3 | 167 | 173.3 | -10 | 110.7 | K681 D1231 C1235 K1236 D1237 | K681-R1233 VanDerWaalsContact CD-NH2 3.28Å; K681-R1233 VanDerWaalsContact NZ-NE 3.17Å; D1231-R1233 VanDerWaalsContact C-N 3.28Å; D1231-R1233 PolarHBondContact O-N 2.72Å; D1231-R1233 WeakPolarHBondContact OD1-CB 3.31Å; D1231-R1233 PolarHBondContact OD1-N 3.07Å; R1233-C1235 PolarHBondContact O-N 3.23Å; R1233-K1236 WeakPolarHBondContact O-CB 3.43Å; R1233-K1236 PolarHBondContact O-N 3.3Å; R1233-D1237 PolarHBondContact O-N 3.22Å |
| 1234 | W | 93.4 | Very high | 89.4 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 8% | 0.076 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.6 | -43.7 | 173.5 | -178.9 | 85.6 | 0 | 0 | 0 | 111.7 | F1208 C1224 F1225 R1228 D1231 K1236 D1237 H1238 V1240 | F1208-W1234 AromaticContact CE1-CH2 3.97Å; F1208-W1234 HydrophobicContact CE1-CH2 3.97Å; F1208-W1234 AromaticContact CE1-CZ2 3.68Å; F1208-W1234 HydrophobicContact CE1-CZ2 3.68Å; F1208-W1234 AromaticContact CZ-CH2 3.87Å; F1208-W1234 HydrophobicContact CZ-CH2 3.87Å; F1208-W1234 AromaticContact CZ-CZ2 3.54Å; F1208-W1234 HydrophobicContact CZ-CZ2 3.54Å; C1224-W1234 HydrophobicContact CB-CH2 3.82Å; C1224-W1234 HydrophobicContact CB-CZ2 3.6Å; F1225-W1234 HydrophobicContact CB-CH2 4.3Å; F1225-W1234 HydrophobicContact CB-CZ3 3.79Å; F1225-W1234 HydrophobicContact CD2-CE3 4.08Å; F1225-W1234 HydrophobicContact CD2-CZ3 4.02Å; F1225-W1234 HydrophobicContact CG-CZ3 4.4Å; R1228-W1234 HydrophobicContact CB-CD2 4.44Å; R1228-W1234 HydrophobicContact CB-CG 4.24Å; R1228-W1234 HydrophobicContact CG-CD2 4.38Å; R1228-W1234 HydrophobicContact CG-CG 4.23Å; D1231-W1234 HydrophobicContact CB-CB 3.97Å; D1231-W1234 PolarHBondContact O-N 2.96Å; D1231-W1234 PolarHBondContact OD2-N 2.61Å; W1234-K1236 VanDerWaalsContact C-N 3.35Å; W1234-K1236 PolarHBondContact O-N 2.79Å; W1234-D1237 PolarHBondContact O-N 3.31Å; W1234-H1238 AromaticContact CD1-CE1 3.39Å; W1234-H1238 AromaticContact CD1-ND1 3.49Å; W1234-H1238 AromaticContact CD2-ND1 3.94Å; W1234-H1238 AromaticContact CE2-CE1 3.94Å; W1234-H1238 AromaticContact CE2-ND1 3.69Å; W1234-H1238 AromaticContact CG-ND1 3.83Å; W1234-H1238 AromaticContact NE1-CE1 3.2Å; W1234-H1238 PolarHBondContact NE1-CE1 3.34Å; W1234-H1238 AromaticContact NE1-ND1 3.37Å; W1234-H1238 PolarHBondContact NE1-ND1 2.97Å; W1234-H1238 AromaticContact NE1-NE2 3.76Å; W1234-H1238 WeakPolarHBondContact O-CB 3.46Å; W1234-H1238 PolarHBondContact O-N 2.92Å; W1234-H1238 VanDerWaalsContact O-N 3.1Å; W1234-H1238 PolarHBondContact O-ND1 3.12Å; W1234-V1240 HydrophobicContact CE3-CG2 4.22Å; W1234-V1240 HydrophobicContact CH2-CG2 4.42Å; W1234-V1240 HydrophobicContact CZ3-CG2 3.74Å |
| 1235 | C | 90.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 177 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | F1225 D1231 I1232 R1233 Y1239 V1240 Y1242 | F1225-C1235 VanDerWaalsContact CD2-SG 3.51Å; F1225-C1235 WeakPolarHBondContact CE2-SG 3.27Å; D1231-C1235 PolarHBondContact O-N 3.07Å; D1231-C1235 VanDerWaalsContact O-N 3.16Å; D1231-C1235 PolarHBondContact O-SG 2.94Å; D1231-C1235 VanDerWaalsContact O-SG 3.36Å; I1232-C1235 PolarHBondContact O-N 3Å; R1233-C1235 PolarHBondContact O-N 3.23Å; C1235-Y1239 PolarHBondContact O-N 2.75Å; C1235-Y1239 VanDerWaalsContact O-N 3.1Å; C1235-V1240 HydrophobicContact CB-CG2 3.85Å; C1235-V1240 PolarHBondContact O-N 2.88Å; C1235-Y1242 HydrophobicContact CB-CD2 4.41Å |
| 1236 | K | 88.3 | Confident | 88.9 | Confident | 169 Ų | 169 | 67 Ų | 67 | 74% | 0.735 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 177.8 | -171.2 | -179.3 | 178.9 | -176.9 | 0 | 111.8 | I1232 R1233 W1234 H1238 Y1239 | I1232-K1236 PolarHBondContact O-N 2.87Å; I1232-K1236 VanDerWaalsContact O-N 3.11Å; R1233-K1236 WeakPolarHBondContact O-CB 3.43Å; R1233-K1236 PolarHBondContact O-N 3.3Å; W1234-K1236 VanDerWaalsContact C-N 3.35Å; W1234-K1236 PolarHBondContact O-N 2.79Å; K1236-H1238 VanDerWaalsContact C-N 3.33Å; K1236-H1238 PolarHBondContact O-N 3.42Å; K1236-Y1239 PolarHBondContact O-N 2.84Å |
| 1237 | D | 90.4 | Very high | 88.3 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.6 | -29 | -177.5 | -68 | -21 | 0 | 0 | 0 | 113 | R1233 W1234 | R1233-D1237 PolarHBondContact O-N 3.22Å; W1234-D1237 PolarHBondContact O-N 3.31Å |
| 1238 | H | 92 | Very high | 88.2 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.3 | -179.5 | -67.2 | 81.7 | 0 | 0 | 0 | 113.9 | F1208 W1234 K1236 V1240 | F1208-H1238 HydrophobicContact CE2-CB 3.97Å; F1208-H1238 AromaticContact CE2-CD2 3.81Å; F1208-H1238 HydrophobicContact CZ-CB 4.04Å; F1208-H1238 AromaticContact CZ-CD2 3.51Å; F1208-H1238 AromaticContact CZ-CG 3.93Å; W1234-H1238 AromaticContact CD1-CE1 3.39Å; W1234-H1238 AromaticContact CD1-ND1 3.49Å; W1234-H1238 AromaticContact CD2-ND1 3.94Å; W1234-H1238 AromaticContact CE2-CE1 3.94Å; W1234-H1238 AromaticContact CE2-ND1 3.69Å; W1234-H1238 AromaticContact CG-ND1 3.83Å; W1234-H1238 AromaticContact NE1-CE1 3.2Å; W1234-H1238 PolarHBondContact NE1-CE1 3.34Å; W1234-H1238 AromaticContact NE1-ND1 3.37Å; W1234-H1238 PolarHBondContact NE1-ND1 2.97Å; W1234-H1238 AromaticContact NE1-NE2 3.76Å; W1234-H1238 WeakPolarHBondContact O-CB 3.46Å; W1234-H1238 PolarHBondContact O-N 2.92Å; W1234-H1238 VanDerWaalsContact O-N 3.1Å; W1234-H1238 PolarHBondContact O-ND1 3.12Å; K1236-H1238 VanDerWaalsContact C-N 3.33Å; K1236-H1238 PolarHBondContact O-N 3.42Å; H1238-V1240 VanDerWaalsContact C-N 3.32Å; H1238-V1240 HydrophobicContact CB-CG2 4.4Å; H1238-V1240 PolarHBondContact O-N 2.88Å |
| 1239 | Y | 90.3 | Very high | 88.3 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 43.8 | -178.6 | -54.4 | -89.5 | 0 | 0 | 0 | 113.1 | L1192 P1194 Q1197 R1200 A1201 M1204 C1235 K1236 | L1192-Y1239 PolarHBondContact N-O 3.26Å; L1192-Y1239 WeakPolarHBondContact O-CB 3.29Å; P1194-Y1239 HydrophobicContact CG-CD1 3.57Å; P1194-Y1239 HydrophobicContact CG-CE1 3.8Å; Q1197-Y1239 HydrophobicContact CB-CE1 4.2Å; Q1197-Y1239 PolarHBondContact OE1-OH 3.13Å; R1200-Y1239 HydrophobicContact CB-CE2 4.34Å; R1200-Y1239 WeakPolarHBondContact CD-OH 3.3Å; R1200-Y1239 HydrophobicContact CG-CE2 3.83Å; R1200-Y1239 WeakPolarHBondContact CG-OH 3.43Å; R1200-Y1239 PolarHBondContact NE-OH 3.28Å; A1201-Y1239 HydrophobicContact CB-CD1 4.06Å; A1201-Y1239 HydrophobicContact CB-CD2 4.11Å; A1201-Y1239 HydrophobicContact CB-CG 3.81Å; M1204-Y1239 HydrophobicContact CB-CD2 4.01Å; M1204-Y1239 HydrophobicContact CG-CD2 3.8Å; M1204-Y1239 HydrophobicContact CG-CE2 3.96Å; C1235-Y1239 PolarHBondContact O-N 2.75Å; C1235-Y1239 VanDerWaalsContact O-N 3.1Å; K1236-Y1239 PolarHBondContact O-N 2.84Å |
| 1240 | V | 89.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 148.5 | 175.6 | -64 | 0 | 0 | 0 | 0 | 111.1 | V1190 F1191 V1221 W1234 C1235 H1238 Y1242 L1245 | V1190-V1240 WeakPolarHBondContact O-CA 3.45Å; F1191-V1240 HydrophobicContact CD1-CG1 4Å; F1191-V1240 HydrophobicContact CE1-CG1 4.14Å; V1221-V1240 HydrophobicContact CG1-CB 4.41Å; V1221-V1240 HydrophobicContact CG1-CG1 3.97Å; W1234-V1240 HydrophobicContact CE3-CG2 4.22Å; W1234-V1240 HydrophobicContact CH2-CG2 4.42Å; W1234-V1240 HydrophobicContact CZ3-CG2 3.74Å; C1235-V1240 HydrophobicContact CB-CG2 3.85Å; C1235-V1240 PolarHBondContact O-N 2.88Å; H1238-V1240 VanDerWaalsContact C-N 3.32Å; H1238-V1240 HydrophobicContact CB-CG2 4.4Å; H1238-V1240 PolarHBondContact O-N 2.88Å; V1240-Y1242 PolarHBondContact O-N 3.27Å; V1240-L1245 HydrophobicContact CB-CD1 4.13Å; V1240-L1245 HydrophobicContact CG2-CD1 3.84Å |
| 1241 | N | 85 | Confident | 88.2 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | trans | -77.5 | 94.2 | -174.5 | -178.9 | 0.8 | 0 | 0 | 0 | 111.8 | Q1188 N1189 V1190 L1192 R1243 G1244 L1245 | Q1188-N1241 PolarHBondContact O-ND2 3.06Å; N1189-N1241 WeakPolarHBondContact O-CB 3.4Å; V1190-N1241 PolarHBondContact O-N 3.03Å; L1192-N1241 HydrophobicContact CD2-CB 4.02Å; L1192-N1241 HydrophobicContact CG-CB 4.21Å; N1241-R1243 VanDerWaalsContact C-N 3.34Å; N1241-R1243 PolarHBondContact O-N 2.97Å; N1241-R1243 PolarHBondContact OD1-N 2.65Å; N1241-G1244 WeakPolarHBondContact O-CA 3.3Å; N1241-G1244 PolarHBondContact O-N 3.48Å; N1241-G1244 PolarHBondContact OD1-N 3.12Å; N1241-L1245 WeakPolarHBondContact O-CG 3.36Å; N1241-L1245 PolarHBondContact O-N 3.42Å | ||
| 1242 | Y | 87.5 | Confident | 88.5 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 30% | 0.298 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -49 | -49.7 | 178.6 | 176.7 | -113.8 | 0 | 0 | 0 | 113.3 | F1225 R1230 I1232 C1235 V1240 G1244 L1245 C1246 | F1225-Y1242 AromaticContact CE2-CD2 3.8Å; F1225-Y1242 HydrophobicContact CE2-CD2 3.8Å; F1225-Y1242 AromaticContact CE2-CE2 4Å; F1225-Y1242 HydrophobicContact CE2-CE2 4Å; F1225-Y1242 AromaticContact CZ-CD2 3.95Å; F1225-Y1242 HydrophobicContact CZ-CD2 3.95Å; F1225-Y1242 AromaticContact CZ-CE2 3.9Å; F1225-Y1242 HydrophobicContact CZ-CE2 3.9Å; R1230-Y1242 VanDerWaalsContact O-CE2 3.29Å; R1230-Y1242 WeakPolarHBondContact O-CE2 3.45Å; I1232-Y1242 HydrophobicContact CB-CD1 4.5Å; I1232-Y1242 HydrophobicContact CB-CD2 4.31Å; I1232-Y1242 HydrophobicContact CB-CE1 4.43Å; I1232-Y1242 HydrophobicContact CB-CE2 4.26Å; I1232-Y1242 HydrophobicContact CB-CG 4.44Å; I1232-Y1242 HydrophobicContact CD1-CD1 3.91Å; I1232-Y1242 HydrophobicContact CD1-CE1 3.98Å; I1232-Y1242 HydrophobicContact CG1-CD1 3.91Å; I1232-Y1242 HydrophobicContact CG1-CD2 4.37Å; I1232-Y1242 HydrophobicContact CG1-CE1 4.2Å; I1232-Y1242 HydrophobicContact CG1-CG 4Å; C1235-Y1242 HydrophobicContact CB-CD2 4.41Å; V1240-Y1242 PolarHBondContact O-N 3.27Å; Y1242-G1244 VanDerWaalsContact C-N 3.34Å; Y1242-G1244 PolarHBondContact O-N 2.9Å; Y1242-L1245 PolarHBondContact O-N 3.1Å; Y1242-C1246 WeakPolarHBondContact CE2-SG 3.23Å; Y1242-C1246 PolarHBondContact O-N 2.79Å; Y1242-C1246 PolarHBondContact O-SG 2.94Å; Y1242-C1246 VanDerWaalsContact O-SG 3.39Å |
| 1243 | R | 78.7 | Confident | 88.7 | Confident | 121 Ų | 121 | 53.5 Ų | 53.5 | 46% | 0.457 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -38.8 | -179.8 | -68.7 | -174.5 | -177.5 | 158.8 | 6.9 | 112 | N1241 L1245 R1247 | N1241-R1243 VanDerWaalsContact C-N 3.34Å; N1241-R1243 PolarHBondContact O-N 2.97Å; N1241-R1243 PolarHBondContact OD1-N 2.65Å; R1243-L1245 VanDerWaalsContact C-N 3.34Å; R1243-R1247 WeakPolarHBondContact O-CB 3.45Å; R1243-R1247 PolarHBondContact O-N 2.73Å |
| 1244 | G | 82.8 | Confident | 88.5 | Confident | 7 Ų | 7 | 50 Ų | 50 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1187 N1241 Y1242 R1247 A1248 | I1187-G1244 WeakPolarHBondContact CD1-O 3.46Å; I1187-G1244 WeakPolarHBondContact CG2-O 3.46Å; N1241-G1244 WeakPolarHBondContact O-CA 3.3Å; N1241-G1244 PolarHBondContact O-N 3.48Å; N1241-G1244 PolarHBondContact OD1-N 3.12Å; Y1242-G1244 VanDerWaalsContact C-N 3.34Å; Y1242-G1244 PolarHBondContact O-N 2.9Å; G1244-R1247 WeakPolarHBondContact O-CB 3.44Å; G1244-R1247 PolarHBondContact O-N 3.43Å; G1244-A1248 PolarHBondContact O-N 3.17Å |
| 1245 | L | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | -179.2 | -66.1 | 172.5 | 0 | 0 | 0 | 113 | M1184 V1221 F1225 V1240 N1241 Y1242 R1243 R1247 A1248 V1249 | M1184-L1245 HydrophobicContact CE-CD2 3.6Å; M1184-L1245 HydrophobicContact SD-CD2 3.67Å; V1221-L1245 HydrophobicContact CG1-CD1 4.28Å; V1221-L1245 HydrophobicContact CG1-CD2 4.01Å; F1225-L1245 HydrophobicContact CB-CD1 4.08Å; F1225-L1245 HydrophobicContact CD1-CB 3.68Å; F1225-L1245 HydrophobicContact CD1-CD1 4.24Å; F1225-L1245 HydrophobicContact CD1-CG 4.42Å; F1225-L1245 HydrophobicContact CD2-CB 4.39Å; F1225-L1245 HydrophobicContact CD2-CD1 3.8Å; F1225-L1245 HydrophobicContact CE1-CB 3.55Å; F1225-L1245 HydrophobicContact CE2-CB 4.29Å; F1225-L1245 HydrophobicContact CE2-CD1 4.27Å; F1225-L1245 HydrophobicContact CG-CB 4.09Å; F1225-L1245 HydrophobicContact CG-CD1 3.77Å; F1225-L1245 HydrophobicContact CG-CG 4.43Å; F1225-L1245 HydrophobicContact CZ-CB 3.87Å; V1240-L1245 HydrophobicContact CB-CD1 4.13Å; V1240-L1245 HydrophobicContact CG2-CD1 3.84Å; N1241-L1245 WeakPolarHBondContact O-CG 3.36Å; N1241-L1245 PolarHBondContact O-N 3.42Å; Y1242-L1245 PolarHBondContact O-N 3.1Å; R1243-L1245 VanDerWaalsContact C-N 3.34Å; L1245-R1247 VanDerWaalsContact C-N 3.3Å; L1245-R1247 PolarHBondContact O-N 2.96Å; L1245-A1248 WeakPolarHBondContact O-CB 3.49Å; L1245-A1248 PolarHBondContact O-N 3.43Å; L1245-A1248 VanDerWaalsContact O-N 3.14Å; L1245-V1249 WeakPolarHBondContact O-CG2 3.5Å; L1245-V1249 PolarHBondContact O-N 3.34Å |
| 1246 | C | 87.7 | Confident | 88.7 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 173.1 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | Y1242 A1248 V1249 E1250 | Y1242-C1246 WeakPolarHBondContact CE2-SG 3.23Å; Y1242-C1246 PolarHBondContact O-N 2.79Å; Y1242-C1246 PolarHBondContact O-SG 2.94Å; Y1242-C1246 VanDerWaalsContact O-SG 3.39Å; C1246-A1248 VanDerWaalsContact C-N 3.32Å; C1246-A1248 PolarHBondContact O-N 3.06Å; C1246-V1249 WeakPolarHBondContact O-CB 3.32Å; C1246-V1249 PolarHBondContact O-N 3.1Å; C1246-V1249 VanDerWaalsContact O-N 3.11Å; C1246-E1250 PolarHBondContact O-N 3.25Å; C1246-E1250 VanDerWaalsContact O-N 3.09Å |
| 1247 | R | 81.6 | Confident | 88.9 | Confident | 99 Ų | 99 | 48.6 Ų | 48.6 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 174.9 | -175.3 | 173.4 | -179.1 | 167.4 | -1.8 | 112.4 | I1187 R1243 G1244 L1245 V1249 E1250 I1251 | I1187-R1247 HydrophobicContact CG2-CB 4.43Å; I1187-R1247 HydrophobicContact CG2-CG 4.44Å; R1243-R1247 WeakPolarHBondContact O-CB 3.45Å; R1243-R1247 PolarHBondContact O-N 2.73Å; G1244-R1247 WeakPolarHBondContact O-CB 3.44Å; G1244-R1247 PolarHBondContact O-N 3.43Å; L1245-R1247 VanDerWaalsContact C-N 3.3Å; L1245-R1247 PolarHBondContact O-N 2.96Å; R1247-V1249 VanDerWaalsContact C-N 3.28Å; R1247-V1249 PolarHBondContact O-N 3.11Å; R1247-E1250 PolarHBondContact O-N 3.41Å; R1247-I1251 HydrophobicContact CG-CD1 3.92Å; R1247-I1251 HydrophobicContact CG-CG1 4.33Å; R1247-I1251 WeakPolarHBondContact O-CB 3.49Å; R1247-I1251 VanDerWaalsContact O-CG1 3.28Å; R1247-I1251 WeakPolarHBondContact O-CG1 3.24Å; R1247-I1251 PolarHBondContact O-N 2.99Å |
| 1248 | A | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1183 M1184 I1187 F1222 G1244 L1245 C1246 R1252 | A1183-A1248 WeakPolarHBondContact CB-O 3.49Å; M1184-A1248 HydrophobicContact SD-CB 3.77Å; I1187-A1248 HydrophobicContact CD1-CB 4.23Å; I1187-A1248 HydrophobicContact CG2-CB 4.09Å; F1222-A1248 HydrophobicContact CD2-CB 4.21Å; F1222-A1248 HydrophobicContact CE2-CB 3.9Å; G1244-A1248 PolarHBondContact O-N 3.17Å; L1245-A1248 WeakPolarHBondContact O-CB 3.49Å; L1245-A1248 PolarHBondContact O-N 3.43Å; L1245-A1248 VanDerWaalsContact O-N 3.14Å; C1246-A1248 VanDerWaalsContact C-N 3.32Å; C1246-A1248 PolarHBondContact O-N 3.06Å; A1248-R1252 WeakPolarHBondContact O-CB 3.5Å; A1248-R1252 PolarHBondContact O-N 3.18Å |
| 1249 | V | 92.4 | Very high | 89 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | F1222 F1225 L1245 C1246 R1247 R1252 Q1253 | F1222-V1249 HydrophobicContact CE2-CG2 3.71Å; F1222-V1249 HydrophobicContact CZ-CG2 3.83Å; F1225-V1249 HydrophobicContact CE1-CG2 4.25Å; L1245-V1249 WeakPolarHBondContact O-CG2 3.5Å; L1245-V1249 PolarHBondContact O-N 3.34Å; C1246-V1249 WeakPolarHBondContact O-CB 3.32Å; C1246-V1249 PolarHBondContact O-N 3.1Å; C1246-V1249 VanDerWaalsContact O-N 3.11Å; R1247-V1249 VanDerWaalsContact C-N 3.28Å; R1247-V1249 PolarHBondContact O-N 3.11Å; V1249-R1252 PolarHBondContact O-N 3.36Å; V1249-Q1253 WeakPolarHBondContact O-CG 3.28Å; V1249-Q1253 PolarHBondContact O-N 2.89Å |
| 1250 | E | 87.2 | Confident | 89.1 | Confident | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 177.3 | -66.9 | 165.7 | -169.9 | 0 | 0 | 112 | C1246 R1247 R1252 Q1253 Q1254 | C1246-E1250 PolarHBondContact O-N 3.25Å; C1246-E1250 VanDerWaalsContact O-N 3.09Å; R1247-E1250 PolarHBondContact O-N 3.41Å; E1250-R1252 VanDerWaalsContact C-N 3.31Å; E1250-R1252 PolarHBondContact O-N 2.61Å; E1250-Q1253 PolarHBondContact O-N 3.46Å; E1250-Q1254 WeakPolarHBondContact O-CG 3.38Å; E1250-Q1254 PolarHBondContact O-N 3.3Å |
| 1251 | I | 87.4 | Confident | 89.2 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 178.1 | -69.2 | 170.8 | 0 | 0 | 0 | 110.1 | F793 A1183 Q1186 I1187 R1247 Q1253 Q1254 L1255 | F793-I1251 HydrophobicContact CD2-CD1 4.32Å; F793-I1251 HydrophobicContact CD2-CG1 4.06Å; F793-I1251 HydrophobicContact CE2-CD1 3.93Å; F793-I1251 HydrophobicContact CE2-CG1 3.87Å; F793-I1251 HydrophobicContact CZ-CG1 4.28Å; A1183-I1251 HydrophobicContact CB-CB 4.38Å; A1183-I1251 HydrophobicContact CB-CG2 4.06Å; Q1186-I1251 HydrophobicContact CB-CD1 3.79Å; Q1186-I1251 HydrophobicContact CB-CG2 4.49Å; Q1186-I1251 HydrophobicContact CG-CG2 4.32Å; I1187-I1251 HydrophobicContact CG2-CD1 4.41Å; R1247-I1251 HydrophobicContact CG-CD1 3.92Å; R1247-I1251 HydrophobicContact CG-CG1 4.33Å; R1247-I1251 WeakPolarHBondContact O-CB 3.49Å; R1247-I1251 VanDerWaalsContact O-CG1 3.28Å; R1247-I1251 WeakPolarHBondContact O-CG1 3.24Å; R1247-I1251 PolarHBondContact O-N 2.99Å; I1251-Q1253 VanDerWaalsContact C-N 3.35Å; I1251-Q1253 PolarHBondContact O-N 3Å; I1251-Q1254 PolarHBondContact O-N 2.98Å; I1251-L1255 HydrophobicContact CG2-CD1 3.81Å; I1251-L1255 HydrophobicContact CG2-CG 4.19Å; I1251-L1255 WeakPolarHBondContact O-CB 3.22Å; I1251-L1255 WeakPolarHBondContact O-CG 3.29Å; I1251-L1255 PolarHBondContact O-N 3.15Å |
| 1252 | R | 94 | Very high | 89.6 | Confident | 46 Ų | 46 | 55 Ų | 55 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.1 | 168.3 | 167.2 | 171.2 | 89.6 | 5.8 | 111.9 | E1176 L1179 S1180 A1183 A1248 V1249 E1250 Q1254 L1255 L1256 | E1176-R1252 PolarHBondContact O-NH1 2.67Å; E1176-R1252 IonicContact OE2-CZ 2.78Å; E1176-R1252 IonicContact OE2-NH1 2.74Å; E1176-R1252 IonicContact OE2-NH2 3.59Å; E1176-R1252 PolarHBondContact OE2-NH2 3.28Å; L1179-R1252 HydrophobicContact CD1-CG 4.48Å; L1179-R1252 HydrophobicContact CD2-CG 3.97Å; L1179-R1252 HydrophobicContact CG-CG 3.91Å; S1180-R1252 PolarHBondContact OG-NH1 3.23Å; A1183-R1252 HydrophobicContact CB-CB 3.83Å; A1248-R1252 WeakPolarHBondContact O-CB 3.5Å; A1248-R1252 PolarHBondContact O-N 3.18Å; V1249-R1252 PolarHBondContact O-N 3.36Å; E1250-R1252 VanDerWaalsContact C-N 3.31Å; E1250-R1252 PolarHBondContact O-N 2.61Å; R1252-Q1254 VanDerWaalsContact C-N 3.34Å; R1252-Q1254 PolarHBondContact O-N 3.17Å; R1252-L1255 PolarHBondContact O-N 2.75Å; R1252-L1256 VanDerWaalsContact O-CB 3.27Å; R1252-L1256 WeakPolarHBondContact O-CB 3.25Å; R1252-L1256 PolarHBondContact O-N 3.03Å |
| 1253 | Q | 92.3 | Very high | 89.8 | Confident | 118 Ų | 118 | 60.2 Ų | 60.2 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 176.8 | -73.6 | 175.9 | -5.1 | 0 | 0 | 112.3 | V1249 E1250 I1251 L1256 H1257 | V1249-Q1253 WeakPolarHBondContact O-CG 3.28Å; V1249-Q1253 PolarHBondContact O-N 2.89Å; E1250-Q1253 PolarHBondContact O-N 3.46Å; I1251-Q1253 VanDerWaalsContact C-N 3.35Å; I1251-Q1253 PolarHBondContact O-N 3Å; Q1253-L1256 WeakPolarHBondContact O-CB 3.25Å; Q1253-L1256 PolarHBondContact O-N 3.08Å; Q1253-H1257 PolarHBondContact O-N 2.71Å |
| 1254 | Q | 86.8 | Confident | 90.5 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.7 | -46.4 | 177.1 | -67.8 | 176 | 12.8 | 0 | 0 | 111.7 | F793 E1250 I1251 R1252 L1256 H1257 F1258 | F793-Q1254 VanDerWaalsContact CE1-OE1 3.29Å; E1250-Q1254 WeakPolarHBondContact O-CG 3.38Å; E1250-Q1254 PolarHBondContact O-N 3.3Å; I1251-Q1254 PolarHBondContact O-N 2.98Å; R1252-Q1254 VanDerWaalsContact C-N 3.34Å; R1252-Q1254 PolarHBondContact O-N 3.17Å; Q1254-L1256 VanDerWaalsContact C-N 3.28Å; Q1254-L1256 PolarHBondContact O-N 3.2Å; Q1254-H1257 WeakPolarHBondContact O-CB 3.49Å; Q1254-H1257 PolarHBondContact O-N 3.36Å; Q1254-H1257 VanDerWaalsContact O-N 3.13Å; Q1254-F1258 VanDerWaalsContact O-CD2 3.3Å; Q1254-F1258 WeakPolarHBondContact O-CD2 3.45Å; Q1254-F1258 PolarHBondContact O-N 3.19Å |
| 1255 | L | 92.4 | Very high | 91 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 176.2 | -70.4 | 177.6 | 0 | 0 | 0 | 111.8 | L1156 P1157 L1158 L1166 L1179 V1182 I1251 R1252 H1257 F1258 L1259 | L1156-L1255 HydrophobicContact CD2-CD2 4.22Å; P1157-L1255 HydrophobicContact CG-CD2 4.14Å; L1158-L1255 HydrophobicContact CD1-CD1 4.15Å; L1158-L1255 HydrophobicContact CD1-CD2 3.72Å; L1158-L1255 HydrophobicContact CD2-CD1 4.3Å; L1158-L1255 HydrophobicContact CD2-CD2 4.33Å; L1158-L1255 HydrophobicContact CG-CD2 3.92Å; L1166-L1255 HydrophobicContact CD2-CD1 4.38Å; L1166-L1255 HydrophobicContact CD2-CD2 4.45Å; L1179-L1255 HydrophobicContact CD1-CB 3.43Å; L1179-L1255 VanDerWaalsContact CD1-CB 3.43Å; L1179-L1255 HydrophobicContact CD1-CD1 4.21Å; L1179-L1255 HydrophobicContact CD1-CG 4.49Å; V1182-L1255 HydrophobicContact CG1-CD1 4.06Å; I1251-L1255 HydrophobicContact CG2-CD1 3.81Å; I1251-L1255 HydrophobicContact CG2-CG 4.19Å; I1251-L1255 WeakPolarHBondContact O-CB 3.22Å; I1251-L1255 WeakPolarHBondContact O-CG 3.29Å; I1251-L1255 PolarHBondContact O-N 3.15Å; R1252-L1255 PolarHBondContact O-N 2.75Å; L1255-H1257 VanDerWaalsContact C-N 3.25Å; L1255-H1257 PolarHBondContact O-N 3.47Å; L1255-F1258 WeakPolarHBondContact O-CB 3.35Å; L1255-F1258 PolarHBondContact O-N 3.42Å; L1255-F1258 VanDerWaalsContact O-N 3.08Å; L1255-L1259 PolarHBondContact O-N 2.74Å |
| 1256 | L | 94.2 | Very high | 91.1 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 20% | 0.204 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -37.4 | 173.8 | 178.2 | 61.7 | 0 | 0 | 0 | 112.3 | L1179 R1252 Q1253 Q1254 F1258 L1259 K1260 L1266 | L1179-L1256 HydrophobicContact CD2-CB 4.08Å; L1179-L1256 HydrophobicContact CD2-CD1 4.19Å; R1252-L1256 VanDerWaalsContact O-CB 3.27Å; R1252-L1256 WeakPolarHBondContact O-CB 3.25Å; R1252-L1256 PolarHBondContact O-N 3.03Å; Q1253-L1256 WeakPolarHBondContact O-CB 3.25Å; Q1253-L1256 PolarHBondContact O-N 3.08Å; Q1254-L1256 VanDerWaalsContact C-N 3.28Å; Q1254-L1256 PolarHBondContact O-N 3.2Å; L1256-F1258 VanDerWaalsContact C-N 3.32Å; L1256-F1258 PolarHBondContact O-N 2.73Å; L1256-L1259 PolarHBondContact O-N 3.32Å; L1256-K1260 HydrophobicContact CD1-CG 4.43Å; L1256-K1260 HydrophobicContact CG-CD 4.49Å; L1256-K1260 WeakPolarHBondContact O-CG 3.47Å; L1256-K1260 PolarHBondContact O-N 3.44Å; L1256-L1266 HydrophobicContact CD1-CD1 3.83Å; L1256-L1266 HydrophobicContact CD1-CD2 3.63Å; L1256-L1266 HydrophobicContact CD1-CG 4.31Å |
| 1257 | H | 91.6 | Very high | 91.4 | Very high | 121 Ų | 121 | 63.3 Ų | 63.3 | 56% | 0.56 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 175.5 | -177.7 | 77.9 | 0 | 0 | 0 | 111.8 | Q1253 Q1254 L1255 R1261 | Q1253-H1257 PolarHBondContact O-N 2.71Å; Q1254-H1257 WeakPolarHBondContact O-CB 3.49Å; Q1254-H1257 PolarHBondContact O-N 3.36Å; Q1254-H1257 VanDerWaalsContact O-N 3.13Å; L1255-H1257 VanDerWaalsContact C-N 3.25Å; L1255-H1257 PolarHBondContact O-N 3.47Å; H1257-R1261 WeakPolarHBondContact O-CB 3.27Å; H1257-R1261 PolarHBondContact O-N 2.95Å |
| 1258 | F | 91.4 | Very high | 91.9 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 173.9 | -73.1 | -85.2 | 0 | 0 | 0 | 111.8 | E1155 L1156 P1157 Q1254 L1255 L1256 K1260 R1261 F1262 | E1155-F1258 HydrophobicContact CG-CE1 4.27Å; L1156-F1258 HydrophobicContact CD2-CB 3.64Å; L1156-F1258 HydrophobicContact CD2-CD1 4.27Å; L1156-F1258 HydrophobicContact CD2-CD2 4.42Å; L1156-F1258 HydrophobicContact CD2-CG 3.88Å; P1157-F1258 HydrophobicContact CG-CE2 4.16Å; Q1254-F1258 VanDerWaalsContact O-CD2 3.3Å; Q1254-F1258 WeakPolarHBondContact O-CD2 3.45Å; Q1254-F1258 PolarHBondContact O-N 3.19Å; L1255-F1258 WeakPolarHBondContact O-CB 3.35Å; L1255-F1258 PolarHBondContact O-N 3.42Å; L1255-F1258 VanDerWaalsContact O-N 3.08Å; L1256-F1258 VanDerWaalsContact C-N 3.32Å; L1256-F1258 PolarHBondContact O-N 2.73Å; F1258-K1260 VanDerWaalsContact C-N 3.35Å; F1258-K1260 PolarHBondContact O-N 2.68Å; F1258-R1261 VanDerWaalsContact CE1-NH2 3.29Å; F1258-R1261 PolarHBondContact O-N 2.93Å; F1258-R1261 VanDerWaalsContact O-N 3.17Å; F1258-F1262 HydrophobicContact CB-CD2 4.17Å; F1258-F1262 HydrophobicContact CB-CE2 3.88Å; F1258-F1262 AromaticContact CD1-CE2 3.88Å; F1258-F1262 HydrophobicContact CD1-CE2 3.88Å; F1258-F1262 AromaticContact CD1-CZ 3.82Å; F1258-F1262 HydrophobicContact CD1-CZ 3.82Å; F1258-F1262 HydrophobicContact CG-CE2 4.35Å; F1258-F1262 WeakPolarHBondContact O-CB 3.35Å; F1258-F1262 VanDerWaalsContact O-CD2 3.26Å; F1258-F1262 WeakPolarHBondContact O-CD2 3.26Å; F1258-F1262 WeakPolarHBondContact O-CG 3.45Å; F1258-F1262 PolarHBondContact O-N 3.13Å |
| 1259 | L | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 178.1 | -65.7 | -176.5 | 0 | 0 | 0 | 112.4 | L1166 L1179 L1255 L1256 R1261 F1262 K1263 V1264 | L1166-L1259 HydrophobicContact CD1-CD1 4.17Å; L1166-L1259 HydrophobicContact CD1-CD2 4.43Å; L1166-L1259 HydrophobicContact CD2-CD2 4.24Å; L1166-L1259 HydrophobicContact CG-CD2 3.99Å; L1179-L1259 HydrophobicContact CB-CD1 4.43Å; L1179-L1259 HydrophobicContact CD1-CD1 4.1Å; L1179-L1259 HydrophobicContact CD2-CD1 4.17Å; L1179-L1259 HydrophobicContact CG-CD1 4.46Å; L1255-L1259 PolarHBondContact O-N 2.74Å; L1256-L1259 PolarHBondContact O-N 3.32Å; L1259-R1261 PolarHBondContact O-N 3.32Å; L1259-F1262 CarbonylContact O-C 3.6Å; L1259-F1262 PolarHBondContact O-N 3.44Å; L1259-K1263 PolarHBondContact O-N 3.33Å; L1259-V1264 HydrophobicContact CB-CB 4.31Å; L1259-V1264 HydrophobicContact CD2-CB 3.88Å; L1259-V1264 HydrophobicContact CD2-CG1 4.1Å; L1259-V1264 HydrophobicContact CD2-CG2 4.01Å; L1259-V1264 PolarHBondContact O-N 3.04Å |
| 1260 | K | 93.3 | Very high | 91.7 | Very high | 141 Ų | 141 | 69.4 Ų | 69.4 | 61% | 0.613 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60 | -45.4 | 175.2 | -73.5 | -179.4 | 178.1 | -176.2 | 0 | 111.5 | L1256 F1258 K1263 | L1256-K1260 HydrophobicContact CD1-CG 4.43Å; L1256-K1260 HydrophobicContact CG-CD 4.49Å; L1256-K1260 WeakPolarHBondContact O-CG 3.47Å; L1256-K1260 PolarHBondContact O-N 3.44Å; F1258-K1260 VanDerWaalsContact C-N 3.35Å; F1258-K1260 PolarHBondContact O-N 2.68Å; K1260-K1263 PolarHBondContact O-N 3.11Å |
| 1261 | R | 92.2 | Very high | 91.5 | Very high | 111 Ų | 111 | 68.6 Ų | 68.6 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 179.5 | -171.5 | 179.6 | 62.1 | 159.8 | 3.1 | 112.6 | E1155 H1257 F1258 L1259 K1263 | E1155-R1261 IonicContact OE1-CZ 3.32Å; E1155-R1261 IonicContact OE1-NH1 2.77Å; E1155-R1261 PolarHBondContact OE1-NH1 2.96Å; E1155-R1261 IonicContact OE1-NH2 3.87Å; E1155-R1261 PolarHBondContact OE1-NH2 3.31Å; E1155-R1261 IonicContact OE2-CZ 3.16Å; E1155-R1261 IonicContact OE2-NH1 3.38Å; E1155-R1261 IonicContact OE2-NH2 2.69Å; E1155-R1261 PolarHBondContact OE2-NH2 2.84Å; H1257-R1261 WeakPolarHBondContact O-CB 3.27Å; H1257-R1261 PolarHBondContact O-N 2.95Å; F1258-R1261 VanDerWaalsContact CE1-NH2 3.29Å; F1258-R1261 PolarHBondContact O-N 2.93Å; F1258-R1261 VanDerWaalsContact O-N 3.17Å; L1259-R1261 PolarHBondContact O-N 3.32Å; R1261-K1263 PolarHBondContact O-N 3.22Å |
| 1262 | F | 92.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 73.5 Ų | 73.5 | 12% | 0.123 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.1 | 176.3 | -61 | -28.6 | 0 | 0 | 0 | 113.6 | Q1152 E1155 L1156 L1167 F1258 L1259 V1264 | Q1152-F1262 HydrophobicContact CB-CD2 4.32Å; Q1152-F1262 HydrophobicContact CB-CE2 4.26Å; Q1152-F1262 HydrophobicContact CB-CZ 4.45Å; Q1152-F1262 HydrophobicContact CG-CB 4.47Å; Q1152-F1262 HydrophobicContact CG-CD1 3.91Å; Q1152-F1262 HydrophobicContact CG-CD2 4.17Å; Q1152-F1262 HydrophobicContact CG-CE1 4.12Å; Q1152-F1262 HydrophobicContact CG-CE2 4.38Å; Q1152-F1262 HydrophobicContact CG-CG 3.93Å; Q1152-F1262 HydrophobicContact CG-CZ 4.34Å; E1155-F1262 HydrophobicContact CB-CZ 4.08Å; E1155-F1262 HydrophobicContact CG-CZ 4.31Å; E1155-F1262 VanDerWaalsContact OE2-CE1 3.25Å; E1155-F1262 WeakPolarHBondContact OE2-CE1 3.2Å; E1155-F1262 WeakPolarHBondContact OE2-CZ 3.13Å; L1156-F1262 HydrophobicContact CD2-CE2 4.03Å; L1156-F1262 HydrophobicContact CG-CE2 3.95Å; L1167-F1262 HydrophobicContact CD2-CD2 4.16Å; F1258-F1262 HydrophobicContact CB-CD2 4.17Å; F1258-F1262 HydrophobicContact CB-CE2 3.88Å; F1258-F1262 AromaticContact CD1-CE2 3.88Å; F1258-F1262 HydrophobicContact CD1-CE2 3.88Å; F1258-F1262 AromaticContact CD1-CZ 3.82Å; F1258-F1262 HydrophobicContact CD1-CZ 3.82Å; F1258-F1262 HydrophobicContact CG-CE2 4.35Å; F1258-F1262 WeakPolarHBondContact O-CB 3.35Å; F1258-F1262 VanDerWaalsContact O-CD2 3.26Å; F1258-F1262 WeakPolarHBondContact O-CD2 3.26Å; F1258-F1262 WeakPolarHBondContact O-CG 3.45Å; F1258-F1262 PolarHBondContact O-N 3.13Å; L1259-F1262 CarbonylContact O-C 3.6Å; L1259-F1262 PolarHBondContact O-N 3.44Å; F1262-V1264 HydrophobicContact CB-CG2 4.12Å; F1262-V1264 PolarHBondContact O-N 2.98Å |
| 1263 | K | 93 | Very high | 91.2 | Very high | 187 Ų | 187 | 80.3 Ų | 80.3 | 81% | 0.813 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 34.4 | -179.1 | -53.3 | 179.9 | -178.8 | 179.1 | 0 | 112.9 | L1259 K1260 R1261 P1265 | L1259-K1263 PolarHBondContact O-N 3.33Å; K1260-K1263 PolarHBondContact O-N 3.11Å; R1261-K1263 PolarHBondContact O-N 3.22Å; K1263-P1265 WeakPolarHBondContact O-CD 3.49Å |
| 1264 | V | 92.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 77.4 Ų | 77.4 | 11% | 0.109 | 39% | 0.387 | C | S | . | . | trans | -77 | 122.1 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | L1167 L1259 F1262 L1266 | L1167-V1264 HydrophobicContact CD2-CG2 3.89Å; L1259-V1264 HydrophobicContact CB-CB 4.31Å; L1259-V1264 HydrophobicContact CD2-CB 3.88Å; L1259-V1264 HydrophobicContact CD2-CG1 4.1Å; L1259-V1264 HydrophobicContact CD2-CG2 4.01Å; L1259-V1264 PolarHBondContact O-N 3.04Å; F1262-V1264 HydrophobicContact CB-CG2 4.12Å; F1262-V1264 PolarHBondContact O-N 2.98Å; V1264-L1266 PolarHBondContact O-N 2.95Å | ||
| 1265 | P | 93 | Very high | 91.3 | Very high | 68 Ų | 68 | 75.5 Ų | 75.5 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | trans | -57.1 | 131.4 | 179.6 | -24.5 | 33.8 | 0 | 0 | 0 | 111.2 | S1175 K1263 L1267 | S1175-P1265 WeakPolarHBondContact CB-O 3.46Å; S1175-P1265 PolarHBondContact OG-O 3.48Å; K1263-P1265 WeakPolarHBondContact O-CD 3.49Å; P1265-L1267 HydrophobicContact CB-CD1 3.85Å; P1265-L1267 HydrophobicContact CB-CG 3.95Å | ||
| 1266 | L | 93.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 34% | 0.34 | 40% | 0.399 | S | S | . | . | trans | -93.7 | 97.3 | 174.1 | -169.5 | 72.6 | 0 | 0 | 0 | 108.5 | S1175 E1176 L1179 L1256 V1264 | S1175-L1266 VanDerWaalsContact OG-CA 3.31Å; S1175-L1266 WeakPolarHBondContact OG-CA 3.25Å; E1176-L1266 HydrophobicContact CG-CD1 4.02Å; E1176-L1266 HydrophobicContact CG-CG 3.93Å; E1176-L1266 WeakPolarHBondContact OE1-CD2 3.48Å; E1176-L1266 WeakPolarHBondContact OE1-CG 3.34Å; L1179-L1266 HydrophobicContact CD2-CD1 4.27Å; L1256-L1266 HydrophobicContact CD1-CD1 3.83Å; L1256-L1266 HydrophobicContact CD1-CD2 3.63Å; L1256-L1266 HydrophobicContact CD1-CG 4.31Å; V1264-L1266 PolarHBondContact O-N 2.95Å | ||
| 1267 | L | 94.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 80.7 Ų | 80.7 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | trans | -130.1 | 143.9 | -172.8 | -62.2 | 174.1 | 0 | 0 | 0 | 108.8 | E1173 C1174 S1175 E1176 P1265 | E1173-L1267 HydrophobicContact CB-CB 4.24Å; E1173-L1267 HydrophobicContact CB-CD1 4.12Å; E1173-L1267 HydrophobicContact CG-CD1 3.92Å; C1174-L1267 CarbonylContact C-O 3.53Å; S1175-L1267 PolarHBondContact N-O 3.44Å; S1175-L1267 PolarHBondContact OG-N 3.39Å; S1175-L1267 PolarHBondContact OG-O 3.4Å; E1176-L1267 PolarHBondContact N-O 2.97Å; P1265-L1267 HydrophobicContact CB-CD1 3.85Å; P1265-L1267 HydrophobicContact CB-CG 3.95Å | ||
| 1268 | S | 92.6 | Very high | 91.4 | Very high | 64 Ų | 64 | 77 Ų | 77 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | trans | -109.8 | 136.7 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | E1173 E1177 R1270 | E1173-S1268 CarbonylContact O-C 3.47Å; E1177-S1268 WeakPolarHBondContact OE1-CA 3.49Å; E1177-S1268 WeakPolarHBondContact OE1-CB 3.39Å; E1177-S1268 PolarHBondContact OE1-OG 3.5Å; S1268-R1270 VanDerWaalsContact OG-CB 3.27Å; S1268-R1270 WeakPolarHBondContact OG-CB 3.37Å; S1268-R1270 PolarHBondContact OG-N 3.17Å | ||
| 1269 | C | 91.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | trans | -92.8 | 0.7 | 173.3 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | E1173 C1174 E1177 G1271 R1272 S1275 | E1173-C1269 WeakPolarHBondContact O-CB 3.42Å; E1173-C1269 PolarHBondContact O-N 3.36Å; C1174-C1269 HydrophobicContact CB-CB 4.2Å; C1174-C1269 VanDerWaalsContact CB-SG 3.56Å; E1177-C1269 VanDerWaalsContact CD-SG 3.52Å; E1177-C1269 PolarHBondContact OE1-N 3.1Å; E1177-C1269 PolarHBondContact OE2-N 3.19Å; E1177-C1269 PolarHBondContact OE2-SG 3.44Å; C1269-G1271 PolarHBondContact O-N 3.47Å; C1269-R1272 WeakPolarHBondContact O-CB 3.4Å; C1269-R1272 WeakPolarHBondContact O-CG 3.39Å; C1269-R1272 PolarHBondContact O-N 3.45Å; C1269-S1275 VanDerWaalsContact O-CB 3.28Å; C1269-S1275 WeakPolarHBondContact O-CB 3.02Å | ||
| 1270 | R | 86.3 | Confident | 91.7 | Very high | 174 Ų | 174 | 76.4 Ų | 76.4 | 66% | 0.657 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 125.7 | 179.6 | -169.6 | 177.7 | -175.2 | 173.7 | 4.4 | 110.7 | E1177 E1227 S1268 | E1177-R1270 PolarHBondContact OE1-N 3.11Å; E1227-R1270 IonicContact OE1-CZ 2.67Å; E1227-R1270 IonicContact OE1-NH1 3.66Å; E1227-R1270 PolarHBondContact OE1-NH1 3.5Å; E1227-R1270 IonicContact OE1-NH2 3.77Å; E1227-R1270 PolarHBondContact OE1-NH2 3.33Å; S1268-R1270 VanDerWaalsContact OG-CB 3.27Å; S1268-R1270 WeakPolarHBondContact OG-CB 3.37Å; S1268-R1270 PolarHBondContact OG-N 3.17Å |
| 1271 | G | 84.1 | Confident | 91.8 | Very high | 82 Ų | 82 | 71.8 Ų | 71.8 | 85% | 0.845 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -6.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | C1269 | C1269-G1271 PolarHBondContact O-N 3.47Š|
| 1272 | R | 88.8 | Confident | 91.9 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | trans | -83.2 | 146.1 | 170.5 | -56.9 | 178.2 | 71.8 | 127.1 | -2.8 | 110.9 | E1173 C1269 D1274 S1275 R1278 | E1173-R1272 IonicContact OE2-CZ 2.83Å; E1173-R1272 IonicContact OE2-NH1 2.68Å; E1173-R1272 PolarHBondContact OE2-NH1 2.75Å; E1173-R1272 IonicContact OE2-NH2 2.76Å; C1269-R1272 WeakPolarHBondContact O-CB 3.4Å; C1269-R1272 WeakPolarHBondContact O-CG 3.39Å; C1269-R1272 PolarHBondContact O-N 3.45Å; R1272-D1274 VanDerWaalsContact CB-OD1 3.3Å; R1272-D1274 WeakPolarHBondContact CB-OD1 3.41Å; R1272-D1274 IonicContact NE-OD1 3Å; R1272-D1274 PolarHBondContact NE-OD1 3.45Å; R1272-D1274 PolarHBondContact O-N 2.77Å; R1272-S1275 WeakPolarHBondContact O-CB 3.18Å; R1272-S1275 PolarHBondContact O-N 2.85Å; R1272-S1275 PolarHBondContact O-OG 2.81Å; R1272-R1278 VanDerWaalsContact NH2-NH2 3.13Å | ||
| 1273 | L | 86.1 | Confident | 92.1 | Very high | 190 Ų | 190 | 65.1 Ų | 65.1 | 100% | 0.995 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.2 | 176.9 | -68.6 | 169.6 | 0 | 0 | 0 | 112.3 | ||
| 1274 | D | 90.7 | Very high | 92.2 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 17.8 | -177.2 | 64.3 | -16.1 | 0 | 0 | 0 | 113.3 | R1272 E1276 D1277 R1278 | R1272-D1274 VanDerWaalsContact CB-OD1 3.3Å; R1272-D1274 WeakPolarHBondContact CB-OD1 3.41Å; R1272-D1274 IonicContact NE-OD1 3Å; R1272-D1274 PolarHBondContact NE-OD1 3.45Å; R1272-D1274 PolarHBondContact O-N 2.77Å; D1274-E1276 PolarHBondContact O-N 2.87Å; D1274-D1277 PolarHBondContact O-N 3.41Å; D1274-R1278 WeakPolarHBondContact O-CG 3.35Å; D1274-R1278 PolarHBondContact O-N 3.06Å; D1274-R1278 IonicContact OD1-NE 3.84Å; D1274-R1278 PolarHBondContact OD1-NE 2.97Å; D1274-R1278 VanDerWaalsContact OD1-NE 3.15Å; D1274-R1278 IonicContact OD2-CZ 3.05Å; D1274-R1278 IonicContact OD2-NE 2.58Å; D1274-R1278 PolarHBondContact OD2-NE 3.29Å; D1274-R1278 IonicContact OD2-NH2 3.25Å; D1274-R1278 PolarHBondContact OD2-NH2 3.45Å |
| 1275 | S | 90.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 57.6 Ų | 57.6 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | -174 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | C1269 R1272 D1277 R1278 I1279 | C1269-S1275 VanDerWaalsContact O-CB 3.28Å; C1269-S1275 WeakPolarHBondContact O-CB 3.02Å; R1272-S1275 WeakPolarHBondContact O-CB 3.18Å; R1272-S1275 PolarHBondContact O-N 2.85Å; R1272-S1275 PolarHBondContact O-OG 2.81Å; S1275-D1277 PolarHBondContact O-N 2.61Å; S1275-R1278 PolarHBondContact O-N 3.1Å; S1275-I1279 WeakPolarHBondContact O-CG1 3.38Å; S1275-I1279 PolarHBondContact O-N 2.79Å |
| 1276 | E | 91.3 | Very high | 92.3 | Very high | 86 Ų | 86 | 54.4 Ų | 54.4 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.2 | -64.2 | -179.3 | 170 | 0 | 0 | 112 | L1216 D1274 I1279 K1280 | L1216-E1276 HydrophobicContact CD1-CB 4.46Å; L1216-E1276 HydrophobicContact CD1-CG 4.42Å; D1274-E1276 PolarHBondContact O-N 2.87Å; E1276-I1279 PolarHBondContact O-N 3.3Å; E1276-K1280 WeakPolarHBondContact O-CB 3.4Å; E1276-K1280 VanDerWaalsContact O-CE 3.26Å; E1276-K1280 WeakPolarHBondContact O-CE 3.38Å; E1276-K1280 VanDerWaalsContact O-CG 3.31Å; E1276-K1280 WeakPolarHBondContact O-CG 3.47Å; E1276-K1280 PolarHBondContact O-N 3.07Å |
| 1277 | D | 93.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 178.6 | -68.9 | -17.8 | 0 | 0 | 0 | 111.5 | D1274 S1275 I1279 K1280 Q1281 W1347 | D1274-D1277 PolarHBondContact O-N 3.41Å; S1275-D1277 PolarHBondContact O-N 2.61Å; D1277-I1279 VanDerWaalsContact C-N 3.31Å; D1277-I1279 PolarHBondContact O-N 3.27Å; D1277-K1280 PolarHBondContact O-N 3.4Å; D1277-K1280 WeakPolarHBondContact OD1-CE 3.36Å; D1277-K1280 IonicContact OD1-NZ 3.94Å; D1277-K1280 PolarHBondContact OD1-NZ 3.14Å; D1277-Q1281 WeakPolarHBondContact O-CB 3.27Å; D1277-Q1281 WeakPolarHBondContact O-CG 3.24Å; D1277-Q1281 PolarHBondContact O-N 3.36Å; D1277-W1347 HydrophobicContact CB-CH2 4.1Å; D1277-W1347 HydrophobicContact CB-CZ2 4.04Å; D1277-W1347 WeakPolarHBondContact OD1-CH2 3.4Å |
| 1278 | R | 94.4 | Very high | 92.2 | Very high | 44 Ų | 44 | 48 Ų | 48 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.3 | -43 | 173.9 | -72.1 | 170.6 | -179.3 | -82.5 | -14.2 | 112.2 | L1172 E1173 C1174 R1272 D1274 S1275 S1282 | L1172-R1278 WeakPolarHBondContact O-CD 3.3Å; L1172-R1278 PolarHBondContact O-NH1 3.22Å; L1172-R1278 VanDerWaalsContact O-NH1 3.11Å; E1173-R1278 IonicContact OE2-NH1 2.76Å; C1174-R1278 HydrophobicContact CB-CB 4.31Å; R1272-R1278 VanDerWaalsContact NH2-NH2 3.13Å; D1274-R1278 WeakPolarHBondContact O-CG 3.35Å; D1274-R1278 PolarHBondContact O-N 3.06Å; D1274-R1278 IonicContact OD1-NE 3.84Å; D1274-R1278 PolarHBondContact OD1-NE 2.97Å; D1274-R1278 VanDerWaalsContact OD1-NE 3.15Å; D1274-R1278 IonicContact OD2-CZ 3.05Å; D1274-R1278 IonicContact OD2-NE 2.58Å; D1274-R1278 PolarHBondContact OD2-NE 3.29Å; D1274-R1278 IonicContact OD2-NH2 3.25Å; D1274-R1278 PolarHBondContact OD2-NH2 3.45Å; S1275-R1278 PolarHBondContact O-N 3.1Å; R1278-S1282 PolarHBondContact O-N 3.34Å |
| 1279 | I | 95.6 | Very high | 92 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | 176.9 | -65.5 | 165.7 | 0 | 0 | 0 | 110.1 | C1174 E1177 I1178 I1181 L1216 L1219 S1275 E1276 D1277 Q1281 S1282 L1283 | C1174-I1279 HydrophobicContact CB-CG1 4.04Å; E1177-I1279 HydrophobicContact CB-CD1 3.81Å; E1177-I1279 HydrophobicContact CB-CG1 4.02Å; E1177-I1279 HydrophobicContact CG-CD1 3.95Å; I1178-I1279 HydrophobicContact CD1-CG2 3.85Å; I1181-I1279 HydrophobicContact CD1-CG2 3.51Å; L1216-I1279 HydrophobicContact CD2-CB 4.38Å; L1216-I1279 HydrophobicContact CD2-CD1 3.79Å; L1216-I1279 HydrophobicContact CD2-CG2 3.97Å; L1219-I1279 HydrophobicContact CD2-CD1 4.03Å; S1275-I1279 WeakPolarHBondContact O-CG1 3.38Å; S1275-I1279 PolarHBondContact O-N 2.79Å; E1276-I1279 PolarHBondContact O-N 3.3Å; D1277-I1279 VanDerWaalsContact C-N 3.31Å; D1277-I1279 PolarHBondContact O-N 3.27Å; I1279-Q1281 PolarHBondContact O-N 3.25Å; I1279-S1282 WeakPolarHBondContact O-CB 3.34Å; I1279-S1282 PolarHBondContact O-N 3.11Å; I1279-L1283 HydrophobicContact CG2-CD1 4.42Å; I1279-L1283 WeakPolarHBondContact O-CG 3.37Å; I1279-L1283 PolarHBondContact O-N 3.02Å |
| 1280 | K | 95.4 | Very high | 92 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 178.9 | -71.4 | 176.7 | -77.2 | -176.3 | 0 | 112 | D1212 E1276 D1277 S1282 L1283 V1284 V1342 W1347 | D1212-K1280 IonicContact OD1-NZ 2.69Å; D1212-K1280 PolarHBondContact OD1-NZ 3.3Å; E1276-K1280 WeakPolarHBondContact O-CB 3.4Å; E1276-K1280 VanDerWaalsContact O-CE 3.26Å; E1276-K1280 WeakPolarHBondContact O-CE 3.38Å; E1276-K1280 VanDerWaalsContact O-CG 3.31Å; E1276-K1280 WeakPolarHBondContact O-CG 3.47Å; E1276-K1280 PolarHBondContact O-N 3.07Å; D1277-K1280 PolarHBondContact O-N 3.4Å; D1277-K1280 WeakPolarHBondContact OD1-CE 3.36Å; D1277-K1280 IonicContact OD1-NZ 3.94Å; D1277-K1280 PolarHBondContact OD1-NZ 3.14Å; K1280-S1282 VanDerWaalsContact C-N 3.32Å; K1280-S1282 PolarHBondContact O-N 3.09Å; K1280-L1283 WeakPolarHBondContact O-CB 3.44Å; K1280-L1283 PolarHBondContact O-N 3.11Å; K1280-L1283 VanDerWaalsContact O-N 3.15Å; K1280-V1284 WeakPolarHBondContact O-CG2 3.41Å; K1280-V1284 PolarHBondContact O-N 3.11Å; K1280-V1342 WeakPolarHBondContact CD-O 3.5Å; K1280-W1347 HydrophobicContact CB-CE3 4.41Å; K1280-W1347 HydrophobicContact CB-CH2 4.1Å; K1280-W1347 HydrophobicContact CB-CZ3 3.54Å; K1280-W1347 HydrophobicContact CD-CH2 4.3Å; K1280-W1347 HydrophobicContact CD-CZ3 4.17Å; K1280-W1347 HydrophobicContact CG-CZ3 4.46Å |
| 1281 | Q | 95.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 20% | 0.201 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 174.4 | -73.2 | 178.2 | -12.5 | 0 | 0 | 112 | L1172 D1277 I1279 L1283 V1284 Y1285 W1347 L1351 | L1172-Q1281 HydrophobicContact CD1-CB 3.95Å; D1277-Q1281 WeakPolarHBondContact O-CB 3.27Å; D1277-Q1281 WeakPolarHBondContact O-CG 3.24Å; D1277-Q1281 PolarHBondContact O-N 3.36Å; I1279-Q1281 PolarHBondContact O-N 3.25Å; Q1281-L1283 VanDerWaalsContact C-N 3.31Å; Q1281-L1283 PolarHBondContact O-N 3.31Å; Q1281-V1284 WeakPolarHBondContact O-CB 3.42Å; Q1281-V1284 PolarHBondContact O-N 3.42Å; Q1281-Y1285 WeakPolarHBondContact O-CD2 3.32Å; Q1281-Y1285 PolarHBondContact O-N 2.92Å; Q1281-Y1285 VanDerWaalsContact O-N 3.09Å; Q1281-W1347 HydrophobicContact CG-CD2 3.8Å; Q1281-W1347 HydrophobicContact CG-CE3 4.13Å; Q1281-W1347 HydrophobicContact CG-CG 4.08Å; Q1281-W1347 HydrophobicContact CG-CZ2 4.38Å; Q1281-L1351 HydrophobicContact CB-CD1 3.78Å; Q1281-L1351 HydrophobicContact CG-CD1 3.99Å |
| 1282 | S | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -36.3 | 175.3 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | A1165 S1169 L1172 R1278 I1279 K1280 | A1165-S1282 WeakPolarHBondContact CA-O 3.28Å; A1165-S1282 WeakPolarHBondContact CB-O 3.48Å; A1165-S1282 PolarHBondContact O-OG 3.29Å; S1169-S1282 VanDerWaalsContact CA-OG 3.29Å; S1169-S1282 WeakPolarHBondContact CA-OG 3.35Å; S1169-S1282 WeakPolarHBondContact CB-OG 3.41Å; S1169-S1282 PolarHBondContact N-OG 3.4Å; L1172-S1282 VanDerWaalsContact CD1-CA 3.46Å; L1172-S1282 VanDerWaalsContact CD1-N 3.3Å; R1278-S1282 PolarHBondContact O-N 3.34Å; I1279-S1282 WeakPolarHBondContact O-CB 3.34Å; I1279-S1282 PolarHBondContact O-N 3.11Å; K1280-S1282 VanDerWaalsContact C-N 3.32Å; K1280-S1282 PolarHBondContact O-N 3.09Å |
| 1283 | L | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 172.7 | -66 | 169.8 | 0 | 0 | 0 | 111.1 | I1178 I1181 H1215 I1279 K1280 Q1281 Y1285 G1286 F1287 I1328 | I1178-L1283 HydrophobicContact CD1-CD2 4.16Å; I1178-L1283 HydrophobicContact CD1-CG 4.09Å; I1181-L1283 HydrophobicContact CG2-CD2 4.3Å; H1215-L1283 HydrophobicContact CB-CD1 3.7Å; I1279-L1283 HydrophobicContact CG2-CD1 4.42Å; I1279-L1283 WeakPolarHBondContact O-CG 3.37Å; I1279-L1283 PolarHBondContact O-N 3.02Å; K1280-L1283 WeakPolarHBondContact O-CB 3.44Å; K1280-L1283 PolarHBondContact O-N 3.11Å; K1280-L1283 VanDerWaalsContact O-N 3.15Å; Q1281-L1283 VanDerWaalsContact C-N 3.31Å; Q1281-L1283 PolarHBondContact O-N 3.31Å; L1283-Y1285 VanDerWaalsContact C-N 3.31Å; L1283-Y1285 PolarHBondContact O-N 3.14Å; L1283-G1286 PolarHBondContact O-N 3.48Å; L1283-F1287 HydrophobicContact CB-CD2 4.44Å; L1283-F1287 HydrophobicContact CD2-CD2 4.33Å; L1283-F1287 HydrophobicContact CD2-CE2 4.19Å; L1283-F1287 WeakPolarHBondContact O-CB 3.33Å; L1283-F1287 WeakPolarHBondContact O-CD2 3.35Å; L1283-F1287 PolarHBondContact O-N 2.91Å; L1283-I1328 HydrophobicContact CB-CD1 3.52Å |
| 1284 | V | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.8 | -43.2 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | K1280 Q1281 G1286 F1287 F1288 I1328 I1343 W1347 L1348 L1351 | K1280-V1284 WeakPolarHBondContact O-CG2 3.41Å; K1280-V1284 PolarHBondContact O-N 3.11Å; Q1281-V1284 WeakPolarHBondContact O-CB 3.42Å; Q1281-V1284 PolarHBondContact O-N 3.42Å; V1284-G1286 PolarHBondContact O-N 3.37Å; V1284-F1287 PolarHBondContact O-N 3.33Å; V1284-F1288 HydrophobicContact CG1-CB 4.45Å; V1284-F1288 WeakPolarHBondContact O-CA 3.32Å; V1284-F1288 VanDerWaalsContact O-CB 3.27Å; V1284-F1288 WeakPolarHBondContact O-CB 3.47Å; V1284-F1288 PolarHBondContact O-N 3.01Å; V1284-I1328 HydrophobicContact CG2-CD1 4.29Å; V1284-I1328 HydrophobicContact CG2-CG2 4.36Å; V1284-I1343 HydrophobicContact CG2-CB 4.3Å; V1284-I1343 HydrophobicContact CG2-CG2 3.64Å; V1284-W1347 HydrophobicContact CG1-CB 4.43Å; V1284-W1347 HydrophobicContact CG2-CB 4.48Å; V1284-W1347 HydrophobicContact CG2-CE3 4.3Å; V1284-L1348 HydrophobicContact CG1-CD2 4.07Å; V1284-L1351 HydrophobicContact CB-CD1 4.06Å; V1284-L1351 HydrophobicContact CG1-CB 4.49Å; V1284-L1351 HydrophobicContact CG1-CD1 3.95Å |
| 1285 | Y | 94.6 | Very high | 93.3 | Very high | 47 Ų | 47 | 28.2 Ų | 28.2 | 18% | 0.184 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.5 | -30.3 | 175.8 | -86.2 | -64.6 | 0 | 0 | 0 | 114.3 | K1164 M1168 L1172 Q1281 L1283 F1288 L1351 | K1164-Y1285 VanDerWaalsContact CG-O 3.23Å; K1164-Y1285 WeakPolarHBondContact CG-O 3.41Å; M1168-Y1285 HydrophobicContact CB-CD2 3.9Å; M1168-Y1285 HydrophobicContact CB-CG 3.97Å; M1168-Y1285 HydrophobicContact CE-CD1 4.01Å; M1168-Y1285 HydrophobicContact CE-CD2 4.26Å; M1168-Y1285 HydrophobicContact CE-CE1 3.67Å; M1168-Y1285 HydrophobicContact CE-CE2 3.96Å; M1168-Y1285 HydrophobicContact CE-CG 4.28Å; M1168-Y1285 HydrophobicContact CG-CD1 4.19Å; M1168-Y1285 HydrophobicContact CG-CD2 4.3Å; M1168-Y1285 HydrophobicContact CG-CG 3.92Å; L1172-Y1285 HydrophobicContact CD1-CD2 4Å; L1172-Y1285 HydrophobicContact CD1-CE2 3.97Å; Q1281-Y1285 WeakPolarHBondContact O-CD2 3.32Å; Q1281-Y1285 PolarHBondContact O-N 2.92Å; Q1281-Y1285 VanDerWaalsContact O-N 3.09Å; L1283-Y1285 VanDerWaalsContact C-N 3.31Å; L1283-Y1285 PolarHBondContact O-N 3.14Å; Y1285-F1288 WeakPolarHBondContact O-CD1 3.35Å; Y1285-L1351 HydrophobicContact CD1-CB 4.24Å; Y1285-L1351 HydrophobicContact CD2-CD1 4.34Å; Y1285-L1351 HydrophobicContact CE1-CB 3.85Å; Y1285-L1351 VanDerWaalsContact CE1-O 3.28Å; Y1285-L1351 WeakPolarHBondContact CE1-O 3.48Å; Y1285-L1351 HydrophobicContact CE2-CB 4.31Å; Y1285-L1351 HydrophobicContact CE2-CD1 4.16Å; Y1285-L1351 HydrophobicContact CE2-CD2 3.91Å; Y1285-L1351 HydrophobicContact CE2-CG 4.36Å |
| 1286 | G | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -93.4 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1161 L1283 V1284 | M1161-G1286 WeakPolarHBondContact CB-O 3.13Å; M1161-G1286 VanDerWaalsContact CE-O 3.25Å; M1161-G1286 WeakPolarHBondContact CE-O 3.48Å; M1161-G1286 WeakPolarHBondContact CG-O 3.1Å; M1161-G1286 WeakPolarHBondContact O-CA 3.11Å; L1283-G1286 PolarHBondContact O-N 3.48Å; V1284-G1286 PolarHBondContact O-N 3.37Å |
| 1287 | F | 93.8 | Very high | 93 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -110.3 | 15.5 | -167.6 | -63 | -81.1 | 0 | 0 | 0 | 114.2 | M1161 H1162 M1185 L1283 V1284 S1289 N1290 I1328 T1330 | M1161-F1287 HydrophobicContact CB-CD1 4.44Å; M1161-F1287 HydrophobicContact CB-CE1 4.26Å; M1161-F1287 HydrophobicContact CE-CB 4.36Å; M1161-F1287 HydrophobicContact CE-CD1 3.69Å; M1161-F1287 HydrophobicContact CE-CE1 4.4Å; M1161-F1287 HydrophobicContact CE-CG 4.33Å; H1162-F1287 AromaticContact CE1-CE1 3.79Å; H1162-F1287 AromaticContact CE1-CZ 3.58Å; H1162-F1287 AromaticContact CG-CZ 3.91Å; H1162-F1287 AromaticContact ND1-CE1 3.97Å; H1162-F1287 AromaticContact ND1-CZ 3.64Å; H1162-F1287 AromaticContact NE2-CZ 3.83Å; M1185-F1287 HydrophobicContact CE-CE2 3.84Å; M1185-F1287 HydrophobicContact CE-CZ 3.63Å; L1283-F1287 HydrophobicContact CB-CD2 4.44Å; L1283-F1287 HydrophobicContact CD2-CD2 4.33Å; L1283-F1287 HydrophobicContact CD2-CE2 4.19Å; L1283-F1287 WeakPolarHBondContact O-CB 3.33Å; L1283-F1287 WeakPolarHBondContact O-CD2 3.35Å; L1283-F1287 PolarHBondContact O-N 2.91Å; V1284-F1287 PolarHBondContact O-N 3.33Å; F1287-S1289 PolarHBondContact O-N 3.29Å; F1287-S1289 VanDerWaalsContact O-N 3.13Å; F1287-N1290 CarbonylContact O-C 3.47Å; F1287-N1290 WeakPolarHBondContact O-CA 3.36Å; F1287-N1290 PolarHBondContact O-N 3.46Å; F1287-I1328 HydrophobicContact CB-CD1 4.4Å; F1287-T1330 HydrophobicContact CE1-CG2 3.68Å; F1287-T1330 HydrophobicContact CZ-CG2 3.97Å |
| 1288 | F | 92.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -34.9 | 178.7 | 63.7 | -93.1 | 0 | 0 | 0 | 113.2 | L1132 A1135 L1136 V1284 Y1285 N1290 L1348 V1352 Y1355 Y1356 | L1132-F1288 HydrophobicContact CD1-CZ 4.46Å; A1135-F1288 HydrophobicContact CB-CE2 3.8Å; A1135-F1288 HydrophobicContact CB-CZ 3.62Å; L1136-F1288 HydrophobicContact CD2-CE1 3.72Å; L1136-F1288 HydrophobicContact CD2-CZ 4.27Å; L1136-F1288 HydrophobicContact CG-CE1 4.23Å; L1136-F1288 HydrophobicContact CG-CZ 4.31Å; V1284-F1288 HydrophobicContact CG1-CB 4.45Å; V1284-F1288 WeakPolarHBondContact O-CA 3.32Å; V1284-F1288 VanDerWaalsContact O-CB 3.27Å; V1284-F1288 WeakPolarHBondContact O-CB 3.47Å; V1284-F1288 PolarHBondContact O-N 3.01Å; Y1285-F1288 WeakPolarHBondContact O-CD1 3.35Å; F1288-N1290 PolarHBondContact O-N 3.37Å; F1288-L1348 HydrophobicContact CB-CD2 4.42Å; F1288-V1352 HydrophobicContact CB-CB 4.33Å; F1288-V1352 HydrophobicContact CB-CG2 3.85Å; F1288-V1352 HydrophobicContact CD1-CB 4.44Å; F1288-V1352 HydrophobicContact CD1-CG1 4.06Å; F1288-V1352 HydrophobicContact CD1-CG2 3.78Å; F1288-V1352 HydrophobicContact CD2-CB 4.49Å; F1288-V1352 HydrophobicContact CD2-CG1 3.94Å; F1288-V1352 HydrophobicContact CE1-CG1 4.16Å; F1288-V1352 HydrophobicContact CE2-CG1 4.09Å; F1288-V1352 HydrophobicContact CG-CB 4.17Å; F1288-V1352 HydrophobicContact CG-CG1 3.95Å; F1288-V1352 HydrophobicContact CG-CG2 3.83Å; F1288-V1352 HydrophobicContact CZ-CG1 4.2Å; F1288-Y1355 AromaticContact CD2-CD1 3.65Å; F1288-Y1355 HydrophobicContact CD2-CD1 3.65Å; F1288-Y1355 HydrophobicContact CD2-CD2 4.2Å; F1288-Y1355 HydrophobicContact CD2-CE1 4.11Å; F1288-Y1355 AromaticContact CD2-CG 3.66Å; F1288-Y1355 HydrophobicContact CD2-CG 3.66Å; F1288-Y1355 AromaticContact CE2-CD1 3.9Å; F1288-Y1355 HydrophobicContact CE2-CD1 3.9Å; F1288-Y1355 AromaticContact CE2-CD2 3.57Å; F1288-Y1355 HydrophobicContact CE2-CD2 3.57Å; F1288-Y1355 HydrophobicContact CE2-CE1 4.28Å; F1288-Y1355 AromaticContact CE2-CE2 3.97Å; F1288-Y1355 HydrophobicContact CE2-CE2 3.97Å; F1288-Y1355 AromaticContact CE2-CG 3.49Å; F1288-Y1355 HydrophobicContact CE2-CG 3.49Å; F1288-Y1355 VanDerWaalsContact CE2-CG 3.49Å; F1288-Y1356 HydrophobicContact CB-CE2 4.11Å; F1288-Y1356 HydrophobicContact CD2-CE2 4.36Å; F1288-Y1356 VanDerWaalsContact O-CE2 3.3Å; F1288-Y1356 WeakPolarHBondContact O-CE2 3.48Å; F1288-Y1356 PolarHBondContact O-OH 3.34Å |
| 1289 | S | 88.8 | Confident | 92.3 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19.6 | 178.4 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | M1161 F1287 | M1161-S1289 WeakPolarHBondContact CE-OG 3.49Å; F1287-S1289 PolarHBondContact O-N 3.29Å; F1287-S1289 VanDerWaalsContact O-N 3.13Å |
| 1290 | N | 90.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 33.6 Ų | 33.6 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -105.1 | 51.7 | 179.6 | -66.8 | -0 | 0 | 0 | 0 | 110.7 | M1161 F1287 F1288 I1328 F1329 T1330 | M1161-N1290 HydrophobicContact CE-CB 4.45Å; F1287-N1290 CarbonylContact O-C 3.47Å; F1287-N1290 WeakPolarHBondContact O-CA 3.36Å; F1287-N1290 PolarHBondContact O-N 3.46Å; F1288-N1290 PolarHBondContact O-N 3.37Å; N1290-I1328 WeakPolarHBondContact O-CA 3.26Å; N1290-F1329 VanDerWaalsContact C-CE1 3.44Å; N1290-F1329 HydrophobicContact CB-CD1 4.39Å; N1290-F1329 HydrophobicContact CB-CD2 3.89Å; N1290-F1329 HydrophobicContact CB-CE1 4.18Å; N1290-F1329 HydrophobicContact CB-CE2 3.64Å; N1290-F1329 HydrophobicContact CB-CG 4.26Å; N1290-F1329 HydrophobicContact CB-CZ 3.8Å; N1290-F1329 WeakPolarHBondContact CB-O 3.43Å; N1290-F1329 PolarHBondContact ND2-O 2.98Å; N1290-F1329 WeakPolarHBondContact O-CD1 3.24Å; N1290-F1329 VanDerWaalsContact O-CE1 3.25Å; N1290-F1329 WeakPolarHBondContact O-CE1 3.43Å; N1290-F1329 PolarHBondContact O-N 3.09Å; N1290-T1330 PolarHBondContact ND2-O 3.4Å |
| 1291 | A | 92 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 142.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1302 I1303 V1327 I1328 L1348 | A1291-T1302 WeakPolarHBondContact O-CA 3.42Å; A1291-I1303 HydrophobicContact CB-CD1 3.45Å; A1291-I1303 VanDerWaalsContact CB-CD1 3.45Å; A1291-I1303 HydrophobicContact CB-CG1 4.06Å; A1291-I1303 PolarHBondContact O-N 3.41Å; A1291-V1327 CarbonylContact C-O 3.53Å; A1291-V1327 WeakPolarHBondContact CA-O 3.39Å; A1291-I1328 HydrophobicContact CB-CG2 4.25Å; A1291-L1348 HydrophobicContact CB-CD1 4.12Å; A1291-L1348 HydrophobicContact CB-CD2 3.99Å |
| 1292 | A | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1300 R1301 V1327 F1329 M1337 | A1292-Y1300 HydrophobicContact CB-CD1 4.23Å; A1292-R1301 CarbonylContact C-O 3.53Å; A1292-R1301 WeakPolarHBondContact CA-O 3.49Å; A1292-R1301 WeakPolarHBondContact CB-O 3.32Å; A1292-V1327 HydrophobicContact CB-CG2 4.1Å; A1292-V1327 PolarHBondContact N-O 2.89Å; A1292-V1327 PolarHBondContact O-N 3.14Å; A1292-F1329 HydrophobicContact CB-CD1 4.37Å; A1292-F1329 HydrophobicContact CB-CE1 4.07Å; A1292-M1337 HydrophobicContact CB-SD 3.66Å |
| 1293 | K | 93.9 | Very high | 91 | Very high | 104 Ų | 104 | 37 Ų | 37 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.2 | 179.7 | -174.6 | -171 | 176.3 | -177 | 0 | 110.5 | H1295 Y1300 R1301 K1325 W1326 | K1293-H1295 PolarHBondContact O-N 3.19Å; K1293-Y1300 CarbonylContact O-C 3.58Å; K1293-Y1300 WeakPolarHBondContact O-CA 3.46Å; K1293-R1301 PolarHBondContact N-O 3.45Å; K1293-R1301 PolarHBondContact O-N 3.04Å; K1293-K1325 CarbonylContact C-O 3.55Å; K1293-K1325 WeakPolarHBondContact CA-O 3.49Å; K1293-W1326 HydrophobicContact CB-CD2 4.31Å; K1293-W1326 HydrophobicContact CB-CE3 3.84Å; K1293-W1326 HydrophobicContact CB-CH2 4.22Å; K1293-W1326 HydrophobicContact CB-CZ3 3.79Å; K1293-W1326 HydrophobicContact CD-CH2 3.7Å; K1293-W1326 HydrophobicContact CD-CZ2 3.75Å; K1293-W1326 HydrophobicContact CD-CZ3 4.16Å; K1293-W1326 HydrophobicContact CG-CD2 4.11Å; K1293-W1326 HydrophobicContact CG-CE3 4.1Å; K1293-W1326 HydrophobicContact CG-CH2 4.04Å; K1293-W1326 HydrophobicContact CG-CZ2 4.02Å; K1293-W1326 HydrophobicContact CG-CZ3 4.07Å |
| 1294 | L | 93.4 | Very high | 90.1 | Very high | 45 Ų | 45 | 41.9 Ų | 41.9 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 122.6 | 170.4 | -175.6 | 66 | 0 | 0 | 0 | 109.9 | Y1300 K1325 | L1294-Y1300 HydrophobicContact CB-CD1 4.36Å; L1294-Y1300 HydrophobicContact CB-CE1 3.89Å; L1294-Y1300 HydrophobicContact CD1-CD2 4.06Å; L1294-Y1300 HydrophobicContact CD1-CE1 4.42Å; L1294-Y1300 HydrophobicContact CD1-CE2 3.64Å; L1294-K1325 PolarHBondContact N-O 3.16Å |
| 1295 | H | 91.3 | Very high | 89.1 | Confident | 47 Ų | 47 | 47 Ų | 47 | 22% | 0.218 | 24% | 0.236 | C | C | . | . | trans | -91.8 | 161.6 | 176.2 | -169.7 | -101.2 | 0 | 0 | 0 | 110.7 | K1293 D1297 G1298 T1299 R1301 | K1293-H1295 PolarHBondContact O-N 3.19Å; H1295-D1297 WeakPolarHBondContact CB-OD1 3.35Å; H1295-D1297 IonicContact CE1-OD2 3.93Å; H1295-D1297 IonicContact CG-OD1 2.71Å; H1295-D1297 IonicContact CG-OD2 4Å; H1295-D1297 IonicContact ND1-OD1 2.69Å; H1295-D1297 PolarHBondContact ND1-OD1 2.96Å; H1295-D1297 VanDerWaalsContact ND1-OD1 3.11Å; H1295-D1297 IonicContact ND1-OD2 3.27Å; H1295-D1297 PolarHBondContact ND1-OD2 3.14Å; H1295-D1297 PolarHBondContact O-N 3.42Å; H1295-G1298 PolarHBondContact O-N 3.38Å; H1295-T1299 WeakPolarHBondContact CB-O 3.39Å; H1295-T1299 PolarHBondContact N-O 2.69Å; H1295-R1301 HydrophobicContact CB-CG 4.06Å; H1295-R1301 VanDerWaalsContact CE1-CZ 3.43Å; H1295-R1301 PolarHBondContact CE1-NH2 3.04Å; H1295-R1301 PolarHBondContact ND1-NH2 3.08Å | ||
| 1296 | H | 87.2 | Confident | 88.6 | Confident | 174 Ų | 174 | 49.1 Ų | 49.1 | 81% | 0.806 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.8 | -174.3 | 60.4 | -98.4 | 0 | 0 | 0 | 113.8 | G1298 | H1296-G1298 PolarHBondContact O-N 3.46Š|
| 1297 | D | 87.8 | Confident | 88.1 | Confident | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0 | 173.4 | 59.8 | 15.9 | 0 | 0 | 0 | 113.4 | H1295 T1299 R1301 | H1295-D1297 WeakPolarHBondContact CB-OD1 3.35Å; H1295-D1297 IonicContact CE1-OD2 3.93Å; H1295-D1297 IonicContact CG-OD1 2.71Å; H1295-D1297 IonicContact CG-OD2 4Å; H1295-D1297 IonicContact ND1-OD1 2.69Å; H1295-D1297 PolarHBondContact ND1-OD1 2.96Å; H1295-D1297 VanDerWaalsContact ND1-OD1 3.11Å; H1295-D1297 IonicContact ND1-OD2 3.27Å; H1295-D1297 PolarHBondContact ND1-OD2 3.14Å; H1295-D1297 PolarHBondContact O-N 3.42Å; D1297-T1299 VanDerWaalsContact C-N 3.32Å; D1297-T1299 VanDerWaalsContact CG-OG1 3.31Å; D1297-T1299 WeakPolarHBondContact OD1-CB 3.36Å; D1297-T1299 PolarHBondContact OD1-N 3.17Å; D1297-T1299 PolarHBondContact OD1-OG1 2.95Å; D1297-T1299 PolarHBondContact OD2-OG1 2.96Å; D1297-R1301 IonicContact OD2-NH2 2.78Å; D1297-R1301 PolarHBondContact OD2-NH2 2.97Å |
| 1298 | G | 84.2 | Confident | 87.9 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 83.4 | 1.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1295 H1296 | H1295-G1298 PolarHBondContact O-N 3.38Å; H1296-G1298 PolarHBondContact O-N 3.46Å |
| 1299 | T | 88.8 | Confident | 87.7 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | trans | -89.3 | 160.4 | 171.2 | 68.3 | 0 | 0 | 0 | 0 | 111 | H1295 D1297 T1308 | H1295-T1299 WeakPolarHBondContact CB-O 3.39Å; H1295-T1299 PolarHBondContact N-O 2.69Å; D1297-T1299 VanDerWaalsContact C-N 3.32Å; D1297-T1299 VanDerWaalsContact CG-OG1 3.31Å; D1297-T1299 WeakPolarHBondContact OD1-CB 3.36Å; D1297-T1299 PolarHBondContact OD1-N 3.17Å; D1297-T1299 PolarHBondContact OD1-OG1 2.95Å; D1297-T1299 PolarHBondContact OD2-OG1 2.96Å; T1299-T1308 HydrophobicContact CG2-CG2 3.92Å | ||
| 1300 | Y | 92.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.1 | 170.7 | -80.2 | -96.9 | 0 | 0 | 0 | 109.8 | A1292 K1293 L1294 T1308 L1309 I1311 P1324 V1327 M1337 | A1292-Y1300 HydrophobicContact CB-CD1 4.23Å; K1293-Y1300 CarbonylContact O-C 3.58Å; K1293-Y1300 WeakPolarHBondContact O-CA 3.46Å; L1294-Y1300 HydrophobicContact CB-CD1 4.36Å; L1294-Y1300 HydrophobicContact CB-CE1 3.89Å; L1294-Y1300 HydrophobicContact CD1-CD2 4.06Å; L1294-Y1300 HydrophobicContact CD1-CE1 4.42Å; L1294-Y1300 HydrophobicContact CD1-CE2 3.64Å; Y1300-T1308 CarbonylContact O-C 3.49Å; Y1300-T1308 WeakPolarHBondContact O-CA 3.45Å; Y1300-L1309 PolarHBondContact N-O 2.95Å; Y1300-L1309 PolarHBondContact O-N 3.19Å; Y1300-I1311 HydrophobicContact CD2-CD1 4.13Å; Y1300-I1311 HydrophobicContact CD2-CG1 4Å; Y1300-I1311 HydrophobicContact CE2-CD1 3.34Å; Y1300-I1311 HydrophobicContact CE2-CG1 3.71Å; Y1300-P1324 WeakPolarHBondContact CE1-O 3.23Å; Y1300-P1324 WeakPolarHBondContact OH-CD 3.42Å; Y1300-P1324 WeakPolarHBondContact OH-CG 3.37Å; Y1300-P1324 PolarHBondContact OH-O 3.31Å; Y1300-V1327 HydrophobicContact CD1-CG2 3.76Å; Y1300-V1327 HydrophobicContact CE1-CG1 4.03Å; Y1300-V1327 HydrophobicContact CE1-CG2 3.71Å; Y1300-M1337 VanDerWaalsContact CB-CE 3.45Å; Y1300-M1337 HydrophobicContact CD1-CE 3.91Å; Y1300-M1337 HydrophobicContact CD2-CE 3.8Å; Y1300-M1337 HydrophobicContact CG-CE 3.43Å; Y1300-M1337 VanDerWaalsContact CG-CE 3.43Å |
| 1301 | R | 90.3 | Very high | 87.7 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.6 | 174.5 | -59.9 | -168 | -173.6 | -170.5 | 0.2 | 111.1 | A1292 K1293 H1295 D1297 D1306 F1307 | A1292-R1301 CarbonylContact C-O 3.53Å; A1292-R1301 WeakPolarHBondContact CA-O 3.49Å; A1292-R1301 WeakPolarHBondContact CB-O 3.32Å; K1293-R1301 PolarHBondContact N-O 3.45Å; K1293-R1301 PolarHBondContact O-N 3.04Å; H1295-R1301 HydrophobicContact CB-CG 4.06Å; H1295-R1301 VanDerWaalsContact CE1-CZ 3.43Å; H1295-R1301 PolarHBondContact CE1-NH2 3.04Å; H1295-R1301 PolarHBondContact ND1-NH2 3.08Å; D1297-R1301 IonicContact OD2-NH2 2.78Å; D1297-R1301 PolarHBondContact OD2-NH2 2.97Å; R1301-D1306 WeakPolarHBondContact CB-OD1 3.28Å; R1301-D1306 WeakPolarHBondContact CD-OD1 3.5Å; R1301-D1306 IonicContact CZ-OD2 3.25Å; R1301-D1306 IonicContact NH1-OD1 3.5Å; R1301-D1306 IonicContact NH1-OD2 2.89Å; R1301-D1306 PolarHBondContact NH1-OD2 3.33Å; R1301-F1307 VanDerWaalsContact CA-O 3.27Å; R1301-F1307 WeakPolarHBondContact CA-O 3.45Å |
| 1302 | T | 88 | Confident | 87.4 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 145.2 | 174.8 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | I1027 A1291 R1304 D1306 F1307 L1309 F1329 | I1027-T1302 HydrophobicContact CD1-CG2 4.18Å; A1291-T1302 WeakPolarHBondContact O-CA 3.42Å; T1302-R1304 WeakPolarHBondContact CB-O 3.22Å; T1302-R1304 PolarHBondContact OG1-O 3.29Å; T1302-D1306 WeakPolarHBondContact O-CA 3.3Å; T1302-D1306 PolarHBondContact O-N 3.05Å; T1302-F1307 HydrophobicContact CG2-CB 4.25Å; T1302-F1307 PolarHBondContact N-O 3.45Å; T1302-F1307 WeakPolarHBondContact OG1-CB 3.14Å; T1302-F1307 PolarHBondContact OG1-N 3Å; T1302-L1309 HydrophobicContact CG2-CD1 3.54Å; T1302-L1309 HydrophobicContact CG2-CG 4.43Å; T1302-F1329 HydrophobicContact CG2-CE1 4.4Å; T1302-F1329 HydrophobicContact CG2-CZ 4.25Å |
| 1303 | I | 85.8 | Confident | 87 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -42.8 | -175.7 | -55.8 | -179.6 | 0 | 0 | 0 | 111.3 | A1291 W1326 L1348 Y1356 | A1291-I1303 HydrophobicContact CB-CD1 3.45Å; A1291-I1303 VanDerWaalsContact CB-CD1 3.45Å; A1291-I1303 HydrophobicContact CB-CG1 4.06Å; A1291-I1303 PolarHBondContact O-N 3.41Å; I1303-W1326 HydrophobicContact CD1-CE3 4.03Å; I1303-W1326 HydrophobicContact CD1-CZ3 3.56Å; I1303-W1326 HydrophobicContact CG1-CE3 4.48Å; I1303-W1326 HydrophobicContact CG1-CZ3 3.86Å; I1303-L1348 HydrophobicContact CD1-CD1 3.25Å; I1303-Y1356 HydrophobicContact CB-CE1 3.95Å; I1303-Y1356 HydrophobicContact CD1-CE1 4.08Å; I1303-Y1356 HydrophobicContact CG2-CD1 4.19Å; I1303-Y1356 HydrophobicContact CG2-CE1 3.56Å |
| 1304 | R | 76 | Confident | 86.5 | Confident | 101 Ų | 101 | 67.2 Ų | 67.2 | 38% | 0.381 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 141.8 | 167.7 | -73.1 | -167.6 | 172.1 | -167.1 | -2.6 | 109.5 | T1302 D1306 Y1355 | T1302-R1304 WeakPolarHBondContact CB-O 3.22Å; T1302-R1304 PolarHBondContact OG1-O 3.29Å; R1304-D1306 PolarHBondContact O-N 3.44Å; R1304-Y1355 WeakPolarHBondContact CD-OH 3.43Å; R1304-Y1355 HydrophobicContact CG-CE1 4.36Å; R1304-Y1355 PolarHBondContact NH2-O 2.72Å |
| 1305 | E | 75.5 | Confident | 86.2 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -0.4 | 177.3 | -42 | -60.4 | 168.8 | 0 | 0 | 117.1 | R1128 F1307 | R1128-E1305 IonicContact CZ-OE1 3.44Å; R1128-E1305 IonicContact NH2-OE1 3.76Å; R1128-E1305 PolarHBondContact NH2-OE1 3.35Å; E1305-F1307 VanDerWaalsContact C-N 3.26Å; E1305-F1307 PolarHBondContact O-N 3.25Å; E1305-F1307 VanDerWaalsContact O-N 3.16Å |
| 1306 | D | 82.3 | Confident | 86.1 | Confident | 90 Ų | 90 | 63 Ų | 63 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36 | 175.5 | -158.1 | 43.1 | 0 | 0 | 0 | 114.8 | R1301 T1302 R1304 | R1301-D1306 WeakPolarHBondContact CB-OD1 3.28Å; R1301-D1306 WeakPolarHBondContact CD-OD1 3.5Å; R1301-D1306 IonicContact CZ-OD2 3.25Å; R1301-D1306 IonicContact NH1-OD1 3.5Å; R1301-D1306 IonicContact NH1-OD2 2.89Å; R1301-D1306 PolarHBondContact NH1-OD2 3.33Å; T1302-D1306 WeakPolarHBondContact O-CA 3.3Å; T1302-D1306 PolarHBondContact O-N 3.05Å; R1304-D1306 PolarHBondContact O-N 3.44Å |
| 1307 | F | 83.6 | Confident | 86.1 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | trans | -77.8 | 127.3 | -174.9 | -172.5 | -112.2 | 0 | 0 | 0 | 111.9 | T1025 I1027 R1301 T1302 E1305 L1309 | T1025-F1307 HydrophobicContact CG2-CB 3.85Å; T1025-F1307 HydrophobicContact CG2-CD1 4.35Å; T1025-F1307 HydrophobicContact CG2-CD2 3.44Å; T1025-F1307 VanDerWaalsContact CG2-CD2 3.44Å; T1025-F1307 HydrophobicContact CG2-CE2 4.01Å; T1025-F1307 HydrophobicContact CG2-CG 3.62Å; I1027-F1307 HydrophobicContact CD1-CB 4.49Å; I1027-F1307 HydrophobicContact CD1-CD1 3.66Å; I1027-F1307 HydrophobicContact CD1-CE1 4.25Å; I1027-F1307 HydrophobicContact CD1-CG 4.32Å; R1301-F1307 VanDerWaalsContact CA-O 3.27Å; R1301-F1307 WeakPolarHBondContact CA-O 3.45Å; T1302-F1307 HydrophobicContact CG2-CB 4.25Å; T1302-F1307 PolarHBondContact N-O 3.45Å; T1302-F1307 WeakPolarHBondContact OG1-CB 3.14Å; T1302-F1307 PolarHBondContact OG1-N 3Å; E1305-F1307 VanDerWaalsContact C-N 3.26Å; E1305-F1307 PolarHBondContact O-N 3.25Å; E1305-F1307 VanDerWaalsContact O-N 3.16Å; F1307-L1309 HydrophobicContact CD1-CD1 4.43Å; F1307-L1309 HydrophobicContact CD1-CD2 3.56Å; F1307-L1309 HydrophobicContact CD1-CG 3.79Å; F1307-L1309 HydrophobicContact CE1-CD2 3.48Å; F1307-L1309 VanDerWaalsContact CE1-CD2 3.48Å; F1307-L1309 HydrophobicContact CE1-CG 4.21Å | ||
| 1308 | T | 89 | Confident | 86.1 | Confident | 62 Ų | 62 | 54 Ų | 54 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.3 | -178 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | T1299 Y1300 | T1299-T1308 HydrophobicContact CG2-CG2 3.92Å; Y1300-T1308 CarbonylContact O-C 3.49Å; Y1300-T1308 WeakPolarHBondContact O-CA 3.45Å |
| 1309 | L | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 157.5 | -178.4 | -66.5 | 174.1 | 0 | 0 | 0 | 111 | Y1300 T1302 F1307 F1329 V1332 D1335 M1337 | Y1300-L1309 PolarHBondContact N-O 2.95Å; Y1300-L1309 PolarHBondContact O-N 3.19Å; T1302-L1309 HydrophobicContact CG2-CD1 3.54Å; T1302-L1309 HydrophobicContact CG2-CG 4.43Å; F1307-L1309 HydrophobicContact CD1-CD1 4.43Å; F1307-L1309 HydrophobicContact CD1-CD2 3.56Å; F1307-L1309 HydrophobicContact CD1-CG 3.79Å; F1307-L1309 HydrophobicContact CE1-CD2 3.48Å; F1307-L1309 VanDerWaalsContact CE1-CD2 3.48Å; F1307-L1309 HydrophobicContact CE1-CG 4.21Å; L1309-F1329 HydrophobicContact CD1-CE1 4.09Å; L1309-F1329 HydrophobicContact CD1-CZ 4.01Å; L1309-V1332 HydrophobicContact CD1-CG2 4.35Å; L1309-V1332 HydrophobicContact CD2-CG1 3.76Å; L1309-V1332 HydrophobicContact CD2-CG2 4.42Å; L1309-D1335 CarbonylContact C-O 3.57Å; L1309-D1335 WeakPolarHBondContact CA-O 3.42Å; L1309-M1337 HydrophobicContact CB-CE 4.48Å; L1309-M1337 HydrophobicContact CB-CG 3.86Å; L1309-M1337 HydrophobicContact CB-SD 4.09Å; L1309-M1337 HydrophobicContact CD1-CG 3.68Å; L1309-M1337 HydrophobicContact CD1-SD 3.95Å; L1309-M1337 HydrophobicContact CG-CG 4.3Å |
| 1310 | K | 89.7 | Confident | 85.9 | Confident | 106 Ų | 106 | 57 Ų | 57 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 159.8 | 174.9 | -64.1 | 173.5 | -170.8 | 141.8 | 0 | 110 | D1335 C1336 M1337 | K1310-D1335 PolarHBondContact N-O 3.28Å; K1310-D1335 IonicContact NZ-OD2 3.68Å; K1310-D1335 PolarHBondContact NZ-OD2 3.4Å; K1310-C1336 CarbonylContact O-C 3.52Å; K1310-C1336 VanDerWaalsContact O-CA 3.27Å; K1310-C1336 WeakPolarHBondContact O-CA 3.32Å; K1310-M1337 PolarHBondContact O-N 3.49Å |
| 1311 | I | 90.1 | Very high | 85.5 | Confident | 17 Ų | 17 | 66.7 Ų | 66.7 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.6 | 170.3 | -67.9 | 166.8 | 0 | 0 | 0 | 109 | Y1300 K1313 I1317 M1318 Y1323 M1337 I1340 | Y1300-I1311 HydrophobicContact CD2-CD1 4.13Å; Y1300-I1311 HydrophobicContact CD2-CG1 4Å; Y1300-I1311 HydrophobicContact CE2-CD1 3.34Å; Y1300-I1311 HydrophobicContact CE2-CG1 3.71Å; I1311-K1313 PolarHBondContact O-N 3.01Å; I1311-I1317 HydrophobicContact CD1-CG2 3.75Å; I1311-M1318 HydrophobicContact CB-SD 4.03Å; I1311-M1318 HydrophobicContact CG2-CG 3.84Å; I1311-M1318 HydrophobicContact CG2-SD 3.6Å; I1311-M1318 VanDerWaalsContact CG2-SD 3.6Å; I1311-Y1323 HydrophobicContact CD1-CD1 3.55Å; I1311-Y1323 HydrophobicContact CD1-CE1 3.7Å; I1311-M1337 HydrophobicContact CG1-CE 4.07Å; I1311-I1340 HydrophobicContact CB-CD1 4.2Å; I1311-I1340 HydrophobicContact CG1-CD1 3.93Å; I1311-I1340 HydrophobicContact CG2-CD1 3.79Å |
| 1312 | Y | 86.7 | Confident | 85.3 | Confident | 94 Ų | 94 | 71.7 Ų | 71.7 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | trans | -58.3 | 125.8 | 169.7 | 176.3 | -111.7 | 0 | 0 | 0 | 110.3 | G1314 S1315 M1337 | Y1312-G1314 PolarHBondContact O-N 3.28Å; Y1312-S1315 VanDerWaalsContact O-CB 3.25Å; Y1312-S1315 WeakPolarHBondContact O-CB 2.99Å; Y1312-S1315 PolarHBondContact O-N 3.36Å; Y1312-M1337 WeakPolarHBondContact CB-O 3.3Å; Y1312-M1337 PolarHBondContact N-O 3.47Å | ||
| 1313 | K | 84.1 | Confident | 85.3 | Confident | 187 Ų | 187 | 76.1 Ų | 76.1 | 81% | 0.813 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -23.7 | -174.4 | -68 | -177.7 | 179.2 | 177.5 | 0 | 114.5 | I1311 | I1311-K1313 PolarHBondContact O-N 3.01Š|
| 1314 | G | 82.1 | Confident | 85.6 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1205 Y1312 | K1205-G1314 WeakPolarHBondContact CE-O 3.18Å; K1205-G1314 PolarHBondContact NZ-O 3.31Å; Y1312-G1314 PolarHBondContact O-N 3.28Å |
| 1315 | S | 88.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -66.8 | 146.3 | -179.7 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | D1214 Y1312 I1317 M1318 | D1214-S1315 WeakPolarHBondContact OD1-CA 3.49Å; D1214-S1315 PolarHBondContact OD1-OG 2.82Å; D1214-S1315 WeakPolarHBondContact OD2-CB 3.27Å; D1214-S1315 PolarHBondContact OD2-OG 3.42Å; Y1312-S1315 VanDerWaalsContact O-CB 3.25Å; Y1312-S1315 WeakPolarHBondContact O-CB 2.99Å; Y1312-S1315 PolarHBondContact O-N 3.36Å; S1315-I1317 PolarHBondContact O-N 3.46Å; S1315-I1317 PolarHBondContact OG-N 3.35Å; S1315-M1318 VanDerWaalsContact O-CB 3.32Å; S1315-M1318 WeakPolarHBondContact O-CB 3.24Å; S1315-M1318 PolarHBondContact O-N 3.42Å; S1315-M1318 VanDerWaalsContact O-N 3.12Å |
| 1316 | A | 87.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -58.4 | -28.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1214 M1318 Y1319 | D1214-A1316 WeakPolarHBondContact OD1-CB 3.35Å; D1214-A1316 PolarHBondContact OD1-N 2.87Å; A1316-M1318 PolarHBondContact O-N 2.92Å; A1316-M1318 VanDerWaalsContact O-N 3.15Å; A1316-Y1319 HydrophobicContact CB-CD2 4.5Å; A1316-Y1319 WeakPolarHBondContact O-CB 3.35Å; A1316-Y1319 WeakPolarHBondContact O-CD2 3.23Å; A1316-Y1319 PolarHBondContact O-N 2.89Å |
| 1317 | I | 88.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -59.1 | -27.5 | 176.6 | -58.3 | -59.5 | 0 | 0 | 0 | 111.8 | E1211 I1311 S1315 Y1319 R1320 Y1323 P1324 I1340 V1342 | E1211-I1317 WeakPolarHBondContact O-CD1 3.38Å; I1311-I1317 HydrophobicContact CD1-CG2 3.75Å; S1315-I1317 PolarHBondContact O-N 3.46Å; S1315-I1317 PolarHBondContact OG-N 3.35Å; I1317-Y1319 PolarHBondContact O-N 3.25Å; I1317-Y1319 VanDerWaalsContact O-N 3.15Å; I1317-R1320 WeakPolarHBondContact O-CB 3.17Å; I1317-R1320 PolarHBondContact O-N 3.47Å; I1317-R1320 VanDerWaalsContact O-N 3.12Å; I1317-Y1323 HydrophobicContact CG2-CD1 4.27Å; I1317-P1324 HydrophobicContact CG2-CG 3.91Å; I1317-I1340 HydrophobicContact CG1-CB 4.03Å; I1317-I1340 HydrophobicContact CG1-CG2 3.98Å; I1317-V1342 HydrophobicContact CD1-CG2 3.79Å |
| 1318 | M | 86.6 | Confident | 88.4 | Confident | 66 Ų | 66 | 67 Ų | 67 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -66.7 | -12.2 | 177.1 | -64.7 | -64.6 | -64.7 | 0 | 0 | 113.7 | I1311 S1315 A1316 Y1323 | I1311-M1318 HydrophobicContact CB-SD 4.03Å; I1311-M1318 HydrophobicContact CG2-CG 3.84Å; I1311-M1318 HydrophobicContact CG2-SD 3.6Å; I1311-M1318 VanDerWaalsContact CG2-SD 3.6Å; S1315-M1318 VanDerWaalsContact O-CB 3.32Å; S1315-M1318 WeakPolarHBondContact O-CB 3.24Å; S1315-M1318 PolarHBondContact O-N 3.42Å; S1315-M1318 VanDerWaalsContact O-N 3.12Å; A1316-M1318 PolarHBondContact O-N 2.92Å; A1316-M1318 VanDerWaalsContact O-N 3.15Å; M1318-Y1323 HydrophobicContact SD-CE1 4.09Å |
| 1319 | Y | 83.1 | Confident | 88.6 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -89.2 | -10.2 | 176 | -54 | -44 | 0 | 0 | 0 | 113.3 | R1206 S1209 A1316 I1317 | R1206-Y1319 HydrophobicContact CG-CD1 4.1Å; R1206-Y1319 HydrophobicContact CG-CD2 4.03Å; R1206-Y1319 HydrophobicContact CG-CE1 3.75Å; R1206-Y1319 HydrophobicContact CG-CE2 3.66Å; R1206-Y1319 HydrophobicContact CG-CG 4.23Å; R1206-Y1319 VanDerWaalsContact NE-CE1 3.29Å; S1209-Y1319 WeakPolarHBondContact OG-CE2 3.41Å; A1316-Y1319 HydrophobicContact CB-CD2 4.5Å; A1316-Y1319 WeakPolarHBondContact O-CB 3.35Å; A1316-Y1319 WeakPolarHBondContact O-CD2 3.23Å; A1316-Y1319 PolarHBondContact O-N 2.89Å; I1317-Y1319 PolarHBondContact O-N 3.25Å; I1317-Y1319 VanDerWaalsContact O-N 3.15Å |
| 1320 | R | 86.1 | Confident | 88.7 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | trans | -74.6 | 142.1 | 179.3 | -153.6 | 170.4 | -169.7 | -158 | 7.1 | 110.3 | E1211 I1317 E1322 | E1211-R1320 HydrophobicContact CB-CG 4.48Å; E1211-R1320 IonicContact OE2-NE 2.79Å; I1317-R1320 WeakPolarHBondContact O-CB 3.17Å; I1317-R1320 PolarHBondContact O-N 3.47Å; I1317-R1320 VanDerWaalsContact O-N 3.12Å; R1320-E1322 VanDerWaalsContact C-N 3.35Å; R1320-E1322 WeakPolarHBondContact CD-O 3.4Å; R1320-E1322 VanDerWaalsContact CG-O 3.26Å; R1320-E1322 WeakPolarHBondContact CG-O 3.44Å | ||
| 1321 | K | 83.2 | Confident | 88.4 | Confident | 209 Ų | 209 | 64.2 Ų | 64.2 | 91% | 0.909 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -67.2 | -38.1 | 175.2 | -70.2 | -177 | -179.3 | 177 | 0 | 112.1 | ||
| 1322 | E | 86.4 | Confident | 88 | Confident | 159 Ų | 159 | 63.8 Ų | 63.8 | 74% | 0.743 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -120.1 | 129.7 | -179.7 | -66.8 | -178 | -175.1 | 0 | 0 | 110.3 | R1320 | R1320-E1322 VanDerWaalsContact C-N 3.35Å; R1320-E1322 WeakPolarHBondContact CD-O 3.4Å; R1320-E1322 VanDerWaalsContact CG-O 3.26Å; R1320-E1322 WeakPolarHBondContact CG-O 3.44Å |
| 1323 | Y | 88.5 | Confident | 87.3 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | trans | -70.7 | 133.4 | 179.9 | -74.1 | -65.9 | 0 | 0 | 0 | 111.2 | I1311 I1317 M1318 | I1311-Y1323 HydrophobicContact CD1-CD1 3.55Å; I1311-Y1323 HydrophobicContact CD1-CE1 3.7Å; I1317-Y1323 HydrophobicContact CG2-CD1 4.27Å; M1318-Y1323 HydrophobicContact SD-CE1 4.09Å | ||
| 1324 | P | 91.5 | Very high | 86.7 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | trans | -63.3 | 138.5 | -179.9 | 24.7 | -33.5 | 0 | 0 | 0 | 111.9 | Y1300 I1317 W1326 V1327 V1342 | Y1300-P1324 WeakPolarHBondContact CE1-O 3.23Å; Y1300-P1324 WeakPolarHBondContact OH-CD 3.42Å; Y1300-P1324 WeakPolarHBondContact OH-CG 3.37Å; Y1300-P1324 PolarHBondContact OH-O 3.31Å; I1317-P1324 HydrophobicContact CG2-CG 3.91Å; P1324-W1326 VanDerWaalsContact C-N 3.34Å; P1324-W1326 PolarHBondContact O-N 3.13Å; P1324-V1327 HydrophobicContact CB-CG1 4Å; P1324-V1327 HydrophobicContact CG-CG1 3.49Å; P1324-V1327 VanDerWaalsContact CG-CG1 3.49Å; P1324-V1342 HydrophobicContact CB-CB 4.32Å; P1324-V1342 HydrophobicContact CB-CG1 3.79Å; P1324-V1342 HydrophobicContact CB-CG2 3.72Å; P1324-V1342 HydrophobicContact CG-CG2 3.87Å | ||
| 1325 | K | 92.8 | Very high | 86.5 | Confident | 161 Ų | 161 | 60 Ų | 60 | 70% | 0.7 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -63.8 | -37.2 | 178.6 | -70.2 | -178.9 | -178.8 | 173.5 | 0 | 113.2 | K1293 L1294 | K1293-K1325 CarbonylContact C-O 3.55Å; K1293-K1325 WeakPolarHBondContact CA-O 3.49Å; L1294-K1325 PolarHBondContact N-O 3.16Å |
| 1326 | W | 94.3 | Very high | 86.4 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.8 | -176.3 | -62.1 | 95 | 0 | 0 | 0 | 110.7 | K1293 I1303 P1324 I1343 | K1293-W1326 HydrophobicContact CB-CD2 4.31Å; K1293-W1326 HydrophobicContact CB-CE3 3.84Å; K1293-W1326 HydrophobicContact CB-CH2 4.22Å; K1293-W1326 HydrophobicContact CB-CZ3 3.79Å; K1293-W1326 HydrophobicContact CD-CH2 3.7Å; K1293-W1326 HydrophobicContact CD-CZ2 3.75Å; K1293-W1326 HydrophobicContact CD-CZ3 4.16Å; K1293-W1326 HydrophobicContact CG-CD2 4.11Å; K1293-W1326 HydrophobicContact CG-CE3 4.1Å; K1293-W1326 HydrophobicContact CG-CH2 4.04Å; K1293-W1326 HydrophobicContact CG-CZ2 4.02Å; K1293-W1326 HydrophobicContact CG-CZ3 4.07Å; I1303-W1326 HydrophobicContact CD1-CE3 4.03Å; I1303-W1326 HydrophobicContact CD1-CZ3 3.56Å; I1303-W1326 HydrophobicContact CG1-CE3 4.48Å; I1303-W1326 HydrophobicContact CG1-CZ3 3.86Å; P1324-W1326 VanDerWaalsContact C-N 3.34Å; P1324-W1326 PolarHBondContact O-N 3.13Å; W1326-I1343 HydrophobicContact CB-CG1 4.06Å; W1326-I1343 PolarHBondContact O-N 2.93Å |
| 1327 | V | 94.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.7 | -179.3 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | A1291 A1292 Y1300 P1324 M1337 I1340 S1341 | A1291-V1327 CarbonylContact C-O 3.53Å; A1291-V1327 WeakPolarHBondContact CA-O 3.39Å; A1292-V1327 HydrophobicContact CB-CG2 4.1Å; A1292-V1327 PolarHBondContact N-O 2.89Å; A1292-V1327 PolarHBondContact O-N 3.14Å; Y1300-V1327 HydrophobicContact CD1-CG2 3.76Å; Y1300-V1327 HydrophobicContact CE1-CG1 4.03Å; Y1300-V1327 HydrophobicContact CE1-CG2 3.71Å; P1324-V1327 HydrophobicContact CB-CG1 4Å; P1324-V1327 HydrophobicContact CG-CG1 3.49Å; P1324-V1327 VanDerWaalsContact CG-CG1 3.49Å; V1327-M1337 HydrophobicContact CG2-CE 4.16Å; V1327-M1337 HydrophobicContact CG2-SD 4.28Å; V1327-I1340 HydrophobicContact CB-CG2 3.59Å; V1327-I1340 HydrophobicContact CG1-CG2 3.77Å; V1327-I1340 HydrophobicContact CG2-CG2 4.04Å; V1327-S1341 CarbonylContact C-O 3.48Å; V1327-S1341 VanDerWaalsContact CA-O 3.26Å; V1327-S1341 WeakPolarHBondContact CA-O 3.22Å |
| 1328 | I | 94.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 152.3 | 161.2 | 59.8 | 176.4 | 0 | 0 | 0 | 109.6 | L1283 V1284 F1287 N1290 A1291 I1340 S1341 I1343 | L1283-I1328 HydrophobicContact CB-CD1 3.52Å; V1284-I1328 HydrophobicContact CG2-CD1 4.29Å; V1284-I1328 HydrophobicContact CG2-CG2 4.36Å; F1287-I1328 HydrophobicContact CB-CD1 4.4Å; N1290-I1328 WeakPolarHBondContact O-CA 3.26Å; A1291-I1328 HydrophobicContact CB-CG2 4.25Å; I1328-I1340 CarbonylContact O-C 3.55Å; I1328-I1340 VanDerWaalsContact O-CA 3.3Å; I1328-I1340 WeakPolarHBondContact O-CA 3.36Å; I1328-S1341 PolarHBondContact N-O 3.23Å; I1328-S1341 PolarHBondContact O-N 3.48Å; I1328-I1343 HydrophobicContact CB-CG2 4.39Å; I1328-I1343 HydrophobicContact CD1-CG2 3.94Å; I1328-I1343 HydrophobicContact CG1-CG2 3.82Å; I1328-I1343 HydrophobicContact CG2-CD1 3.65Å; I1328-I1343 HydrophobicContact CG2-CG1 4.09Å; I1328-I1343 HydrophobicContact CG2-CG2 3.87Å |
| 1329 | F | 92.8 | Very high | 86.6 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.1 | 177.3 | 59.4 | -91.4 | 0 | 0 | 0 | 111.4 | N1290 A1292 T1302 L1309 V1332 M1337 I1340 | N1290-F1329 VanDerWaalsContact C-CE1 3.44Å; N1290-F1329 HydrophobicContact CB-CD1 4.39Å; N1290-F1329 HydrophobicContact CB-CD2 3.89Å; N1290-F1329 HydrophobicContact CB-CE1 4.18Å; N1290-F1329 HydrophobicContact CB-CE2 3.64Å; N1290-F1329 HydrophobicContact CB-CG 4.26Å; N1290-F1329 HydrophobicContact CB-CZ 3.8Å; N1290-F1329 WeakPolarHBondContact CB-O 3.43Å; N1290-F1329 PolarHBondContact ND2-O 2.98Å; N1290-F1329 WeakPolarHBondContact O-CD1 3.24Å; N1290-F1329 VanDerWaalsContact O-CE1 3.25Å; N1290-F1329 WeakPolarHBondContact O-CE1 3.43Å; N1290-F1329 PolarHBondContact O-N 3.09Å; A1292-F1329 HydrophobicContact CB-CD1 4.37Å; A1292-F1329 HydrophobicContact CB-CE1 4.07Å; T1302-F1329 HydrophobicContact CG2-CE1 4.4Å; T1302-F1329 HydrophobicContact CG2-CZ 4.25Å; L1309-F1329 HydrophobicContact CD1-CE1 4.09Å; L1309-F1329 HydrophobicContact CD1-CZ 4.01Å; F1329-V1332 HydrophobicContact CD2-CG2 3.77Å; F1329-V1332 HydrophobicContact CE2-CG2 3.37Å; F1329-V1332 HydrophobicContact CZ-CG2 4.14Å; F1329-M1337 HydrophobicContact CB-CB 3.94Å; F1329-M1337 HydrophobicContact CB-CG 4.25Å; F1329-M1337 HydrophobicContact CB-SD 4.48Å; F1329-M1337 HydrophobicContact CD1-CB 4.45Å; F1329-M1337 HydrophobicContact CD1-CG 3.84Å; F1329-M1337 HydrophobicContact CD1-SD 3.46Å; F1329-M1337 WeakPolarHBondContact CD1-SD 3.34Å; F1329-M1337 HydrophobicContact CD2-CG 4.44Å; F1329-M1337 HydrophobicContact CE1-CG 4.31Å; F1329-M1337 HydrophobicContact CE1-SD 3.92Å; F1329-M1337 HydrophobicContact CG-CB 4.13Å; F1329-M1337 HydrophobicContact CG-CG 3.91Å; F1329-M1337 HydrophobicContact CG-SD 4.11Å; F1329-I1340 HydrophobicContact CB-CG1 4.42Å |
| 1330 | T | 90.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -44.6 | -179.9 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | M1185 H1215 F1287 N1290 R1338 D1339 | M1185-T1330 HydrophobicContact CE-CG2 3.64Å; M1185-T1330 WeakPolarHBondContact CE-OG1 3.33Å; H1215-T1330 PolarHBondContact NE2-OG1 3.32Å; F1287-T1330 HydrophobicContact CE1-CG2 3.68Å; F1287-T1330 HydrophobicContact CZ-CG2 3.97Å; N1290-T1330 PolarHBondContact ND2-O 3.4Å; T1330-R1338 PolarHBondContact N-O 3.04Å; T1330-R1338 VanDerWaalsContact N-O 3.12Å; T1330-D1339 PolarHBondContact N-O 3.36Å |
| 1331 | E | 82.9 | Confident | 87.6 | Confident | 93 Ų | 93 | 55 Ų | 55 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 157.9 | -174.2 | -59 | -171.1 | 162.1 | 0 | 0 | 111.4 | R1338 | E1331-R1338 PolarHBondContact N-O 2.82Å; E1331-R1338 PolarHBondContact O-N 3.24Å |
| 1332 | V | 81 | Confident | 88.2 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.9 | 171.6 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | I1027 L1309 F1329 Q1334 C1336 | I1027-V1332 HydrophobicContact CG2-CB 3.65Å; I1027-V1332 HydrophobicContact CG2-CG1 4.13Å; I1027-V1332 HydrophobicContact CG2-CG2 3.68Å; L1309-V1332 HydrophobicContact CD1-CG2 4.35Å; L1309-V1332 HydrophobicContact CD2-CG1 3.76Å; L1309-V1332 HydrophobicContact CD2-CG2 4.42Å; F1329-V1332 HydrophobicContact CD2-CG2 3.77Å; F1329-V1332 HydrophobicContact CE2-CG2 3.37Å; F1329-V1332 HydrophobicContact CZ-CG2 4.14Å; V1332-Q1334 WeakPolarHBondContact CG1-O 3.31Å; V1332-C1336 WeakPolarHBondContact CA-O 3.41Å |
| 1333 | L | 73.1 | Confident | 88.5 | Confident | 47 Ų | 47 | 38.9 Ų | 38.9 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 104.6 | 171.9 | -67.4 | 175.1 | 0 | 0 | 0 | 108.3 | L1030 D1335 C1336 | L1030-L1333 HydrophobicContact CD1-CD2 4.21Å; L1333-D1335 PolarHBondContact O-N 2.98Å; L1333-D1335 VanDerWaalsContact O-N 3.09Å; L1333-C1336 PolarHBondContact N-O 2.97Å; L1333-C1336 WeakPolarHBondContact O-CB 3.42Å; L1333-C1336 PolarHBondContact O-N 3.33Å |
| 1334 | Q | 70.7 | Confident | 88.7 | Confident | 125 Ų | 125 | 37 Ų | 37 | 58% | 0.584 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -100.7 | -171.5 | -57.3 | 176.1 | -30.6 | 0 | 0 | 111.8 | V1332 | V1332-Q1334 WeakPolarHBondContact CG1-O 3.31Š|
| 1335 | D | 78.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 38.1 Ų | 38.1 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 6.1 | 175.8 | 66.7 | -19.5 | 0 | 0 | 0 | 112.1 | L1309 K1310 L1333 | L1309-D1335 CarbonylContact C-O 3.57Å; L1309-D1335 WeakPolarHBondContact CA-O 3.42Å; K1310-D1335 PolarHBondContact N-O 3.28Å; K1310-D1335 IonicContact NZ-OD2 3.68Å; K1310-D1335 PolarHBondContact NZ-OD2 3.4Å; L1333-D1335 PolarHBondContact O-N 2.98Å; L1333-D1335 VanDerWaalsContact O-N 3.09Å |
| 1336 | C | 86.2 | Confident | 88.5 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.7 | -175.3 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | K1310 V1332 L1333 | K1310-C1336 CarbonylContact O-C 3.52Å; K1310-C1336 VanDerWaalsContact O-CA 3.27Å; K1310-C1336 WeakPolarHBondContact O-CA 3.32Å; V1332-C1336 WeakPolarHBondContact CA-O 3.41Å; L1333-C1336 PolarHBondContact N-O 2.97Å; L1333-C1336 WeakPolarHBondContact O-CB 3.42Å; L1333-C1336 PolarHBondContact O-N 3.33Å |
| 1337 | M | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 135.9 | 171.3 | -63.7 | 179.1 | -60.1 | 0 | 0 | 110.9 | A1292 Y1300 L1309 K1310 I1311 Y1312 V1327 F1329 I1340 | A1292-M1337 HydrophobicContact CB-SD 3.66Å; Y1300-M1337 VanDerWaalsContact CB-CE 3.45Å; Y1300-M1337 HydrophobicContact CD1-CE 3.91Å; Y1300-M1337 HydrophobicContact CD2-CE 3.8Å; Y1300-M1337 HydrophobicContact CG-CE 3.43Å; Y1300-M1337 VanDerWaalsContact CG-CE 3.43Å; L1309-M1337 HydrophobicContact CB-CE 4.48Å; L1309-M1337 HydrophobicContact CB-CG 3.86Å; L1309-M1337 HydrophobicContact CB-SD 4.09Å; L1309-M1337 HydrophobicContact CD1-CG 3.68Å; L1309-M1337 HydrophobicContact CD1-SD 3.95Å; L1309-M1337 HydrophobicContact CG-CG 4.3Å; K1310-M1337 PolarHBondContact O-N 3.49Å; I1311-M1337 HydrophobicContact CG1-CE 4.07Å; Y1312-M1337 WeakPolarHBondContact CB-O 3.3Å; Y1312-M1337 PolarHBondContact N-O 3.47Å; V1327-M1337 HydrophobicContact CG2-CE 4.16Å; V1327-M1337 HydrophobicContact CG2-SD 4.28Å; F1329-M1337 HydrophobicContact CB-CB 3.94Å; F1329-M1337 HydrophobicContact CB-CG 4.25Å; F1329-M1337 HydrophobicContact CB-SD 4.48Å; F1329-M1337 HydrophobicContact CD1-CB 4.45Å; F1329-M1337 HydrophobicContact CD1-CG 3.84Å; F1329-M1337 HydrophobicContact CD1-SD 3.46Å; F1329-M1337 WeakPolarHBondContact CD1-SD 3.34Å; F1329-M1337 HydrophobicContact CD2-CG 4.44Å; F1329-M1337 HydrophobicContact CE1-CG 4.31Å; F1329-M1337 HydrophobicContact CE1-SD 3.92Å; F1329-M1337 HydrophobicContact CG-CB 4.13Å; F1329-M1337 HydrophobicContact CG-CG 3.91Å; F1329-M1337 HydrophobicContact CG-SD 4.11Å; M1337-I1340 HydrophobicContact CB-CD1 3.76Å; M1337-I1340 HydrophobicContact CB-CG1 4.08Å; M1337-I1340 HydrophobicContact CE-CD1 4.33Å |
| 1338 | R | 87.7 | Confident | 88.2 | Confident | 63 Ų | 63 | 33.2 Ų | 33.2 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151 | 178.3 | -168.4 | -174.4 | 176.3 | 164.7 | 8 | 110.9 | T1330 E1331 | T1330-R1338 PolarHBondContact N-O 3.04Å; T1330-R1338 VanDerWaalsContact N-O 3.12Å; E1331-R1338 PolarHBondContact N-O 2.82Å; E1331-R1338 PolarHBondContact O-N 3.24Å |
| 1339 | D | 90.7 | Very high | 87.8 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.7 | 70.4 | -179.3 | -53.2 | -36.8 | 0 | 0 | 0 | 109.6 | H1215 M1218 T1330 | H1215-D1339 PolarHBondContact CE1-O 3.07Å; H1215-D1339 PolarHBondContact NE2-O 3.34Å; M1218-D1339 HydrophobicContact CE-CB 4.22Å; M1218-D1339 VanDerWaalsContact CE-CG 3.5Å; M1218-D1339 WeakPolarHBondContact CE-OD1 3.28Å; T1330-D1339 PolarHBondContact N-O 3.36Å |
| 1340 | I | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.8 | -168.7 | -54 | 179.9 | 0 | 0 | 0 | 109.5 | G1213 D1214 I1311 I1317 V1327 I1328 F1329 M1337 | G1213-I1340 CarbonylContact C-O 3.54Å; G1213-I1340 WeakPolarHBondContact CA-O 3.36Å; D1214-I1340 PolarHBondContact N-O 3.47Å; D1214-I1340 PolarHBondContact OD2-N 3.08Å; I1311-I1340 HydrophobicContact CB-CD1 4.2Å; I1311-I1340 HydrophobicContact CG1-CD1 3.93Å; I1311-I1340 HydrophobicContact CG2-CD1 3.79Å; I1317-I1340 HydrophobicContact CG1-CB 4.03Å; I1317-I1340 HydrophobicContact CG1-CG2 3.98Å; V1327-I1340 HydrophobicContact CB-CG2 3.59Å; V1327-I1340 HydrophobicContact CG1-CG2 3.77Å; V1327-I1340 HydrophobicContact CG2-CG2 4.04Å; I1328-I1340 CarbonylContact O-C 3.55Å; I1328-I1340 VanDerWaalsContact O-CA 3.3Å; I1328-I1340 WeakPolarHBondContact O-CA 3.36Å; F1329-I1340 HydrophobicContact CB-CG1 4.42Å; M1337-I1340 HydrophobicContact CB-CD1 3.76Å; M1337-I1340 HydrophobicContact CB-CG1 4.08Å; M1337-I1340 HydrophobicContact CE-CD1 4.33Å |
| 1341 | S | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.9 | 165.7 | -87.6 | 0 | 0 | 0 | 0 | 111.5 | D1212 H1215 V1327 I1328 | D1212-S1341 WeakPolarHBondContact O-CA 3.46Å; H1215-S1341 WeakPolarHBondContact ND1-CB 3.49Å; H1215-S1341 PolarHBondContact ND1-OG 3.17Å; V1327-S1341 CarbonylContact C-O 3.48Å; V1327-S1341 VanDerWaalsContact CA-O 3.26Å; V1327-S1341 WeakPolarHBondContact CA-O 3.22Å; I1328-S1341 PolarHBondContact N-O 3.23Å; I1328-S1341 PolarHBondContact O-N 3.48Å |
| 1342 | V | 94.9 | Very high | 87.5 | Confident | 20 Ų | 20 | 37 Ų | 37 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.9 | 171.3 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | D1212 K1280 I1317 P1324 | D1212-V1342 PolarHBondContact O-N 2.64Å; K1280-V1342 WeakPolarHBondContact CD-O 3.5Å; I1317-V1342 HydrophobicContact CD1-CG2 3.79Å; P1324-V1342 HydrophobicContact CB-CB 4.32Å; P1324-V1342 HydrophobicContact CB-CG1 3.79Å; P1324-V1342 HydrophobicContact CB-CG2 3.72Å; P1324-V1342 HydrophobicContact CG-CG2 3.87Å |
| 1343 | I | 94.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | trans | -135.4 | 159.7 | 175.8 | 56.4 | 151.4 | 0 | 0 | 0 | 110.7 | V1284 W1326 I1328 W1347 L1348 | V1284-I1343 HydrophobicContact CG2-CB 4.3Å; V1284-I1343 HydrophobicContact CG2-CG2 3.64Å; W1326-I1343 HydrophobicContact CB-CG1 4.06Å; W1326-I1343 PolarHBondContact O-N 2.93Å; I1328-I1343 HydrophobicContact CB-CG2 4.39Å; I1328-I1343 HydrophobicContact CD1-CG2 3.94Å; I1328-I1343 HydrophobicContact CG1-CG2 3.82Å; I1328-I1343 HydrophobicContact CG2-CD1 3.65Å; I1328-I1343 HydrophobicContact CG2-CG1 4.09Å; I1328-I1343 HydrophobicContact CG2-CG2 3.87Å; I1343-W1347 HydrophobicContact CB-CE3 3.95Å; I1343-W1347 HydrophobicContact CB-CZ3 4.12Å; I1343-W1347 HydrophobicContact CG2-CE3 4.24Å; I1343-W1347 HydrophobicContact CG2-CZ3 4.28Å; I1343-L1348 HydrophobicContact CD1-CD1 3.93Å; I1343-L1348 HydrophobicContact CD1-CD2 3.87Å; I1343-L1348 HydrophobicContact CD1-CG 3.84Å | ||
| 1344 | D | 92.5 | Very high | 87.8 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | trans | -79.6 | 138.1 | 159.3 | -154.7 | -41.7 | 0 | 0 | 0 | 109.9 | E1346 W1347 | D1344-E1346 PolarHBondContact O-N 3.34Å; D1344-E1346 WeakPolarHBondContact OD1-CG 3.47Å; D1344-E1346 PolarHBondContact OD1-N 3.11Å; D1344-W1347 HydrophobicContact CB-CD2 3.78Å; D1344-W1347 HydrophobicContact CB-CE3 4.21Å; D1344-W1347 HydrophobicContact CB-CG 4.14Å; D1344-W1347 HydrophobicContact CB-CH2 4.44Å; D1344-W1347 HydrophobicContact CB-CZ2 4.03Å; D1344-W1347 PolarHBondContact O-N 3.02Å | ||
| 1345 | S | 89.6 | Confident | 88.4 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.9 | 168.2 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | W1347 L1348 Y1349 | S1345-W1347 VanDerWaalsContact C-N 3.28Å; S1345-W1347 PolarHBondContact O-N 2.94Å; S1345-L1348 PolarHBondContact O-N 3.49Å; S1345-Y1349 WeakPolarHBondContact O-CD1 3.48Å |
| 1346 | E | 90.4 | Very high | 88.5 | Confident | 90 Ų | 90 | 40.4 Ų | 40.4 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 179.6 | -59.6 | -160.1 | 159.3 | 0 | 0 | 112.9 | D1344 L1348 Y1349 E1350 | D1344-E1346 PolarHBondContact O-N 3.34Å; D1344-E1346 WeakPolarHBondContact OD1-CG 3.47Å; D1344-E1346 PolarHBondContact OD1-N 3.11Å; E1346-L1348 VanDerWaalsContact C-N 3.27Å; E1346-L1348 PolarHBondContact O-N 3.29Å; E1346-Y1349 VanDerWaalsContact CA-CZ 3.46Å; E1346-Y1349 WeakPolarHBondContact CA-OH 3.38Å; E1346-Y1349 HydrophobicContact CB-CE1 4.1Å; E1346-Y1349 VanDerWaalsContact CB-OH 3.28Å; E1346-Y1349 WeakPolarHBondContact CB-OH 3.34Å; E1346-Y1349 HydrophobicContact CG-CE1 4.27Å; E1346-Y1349 WeakPolarHBondContact CG-OH 3.46Å; E1346-Y1349 WeakPolarHBondContact O-CD1 3.48Å; E1346-Y1349 WeakPolarHBondContact O-CE1 3.32Å; E1346-Y1349 PolarHBondContact O-N 3.19Å; E1346-E1350 WeakPolarHBondContact O-CG 3.44Å; E1346-E1350 PolarHBondContact O-N 3.08Å; E1346-E1350 VanDerWaalsContact O-N 3.15Å |
| 1347 | W | 92.4 | Very high | 87.6 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -24.7 | -176.3 | -55.8 | -20.1 | 0 | 0 | 0 | 113.8 | D1277 K1280 Q1281 V1284 I1343 D1344 S1345 L1351 | D1277-W1347 HydrophobicContact CB-CH2 4.1Å; D1277-W1347 HydrophobicContact CB-CZ2 4.04Å; D1277-W1347 WeakPolarHBondContact OD1-CH2 3.4Å; K1280-W1347 HydrophobicContact CB-CE3 4.41Å; K1280-W1347 HydrophobicContact CB-CH2 4.1Å; K1280-W1347 HydrophobicContact CB-CZ3 3.54Å; K1280-W1347 HydrophobicContact CD-CH2 4.3Å; K1280-W1347 HydrophobicContact CD-CZ3 4.17Å; K1280-W1347 HydrophobicContact CG-CZ3 4.46Å; Q1281-W1347 HydrophobicContact CG-CD2 3.8Å; Q1281-W1347 HydrophobicContact CG-CE3 4.13Å; Q1281-W1347 HydrophobicContact CG-CG 4.08Å; Q1281-W1347 HydrophobicContact CG-CZ2 4.38Å; V1284-W1347 HydrophobicContact CG1-CB 4.43Å; V1284-W1347 HydrophobicContact CG2-CB 4.48Å; V1284-W1347 HydrophobicContact CG2-CE3 4.3Å; I1343-W1347 HydrophobicContact CB-CE3 3.95Å; I1343-W1347 HydrophobicContact CB-CZ3 4.12Å; I1343-W1347 HydrophobicContact CG2-CE3 4.24Å; I1343-W1347 HydrophobicContact CG2-CZ3 4.28Å; D1344-W1347 HydrophobicContact CB-CD2 3.78Å; D1344-W1347 HydrophobicContact CB-CE3 4.21Å; D1344-W1347 HydrophobicContact CB-CG 4.14Å; D1344-W1347 HydrophobicContact CB-CH2 4.44Å; D1344-W1347 HydrophobicContact CB-CZ2 4.03Å; D1344-W1347 PolarHBondContact O-N 3.02Å; S1345-W1347 VanDerWaalsContact C-N 3.28Å; S1345-W1347 PolarHBondContact O-N 2.94Å; W1347-L1351 HydrophobicContact CB-CD1 3.91Å; W1347-L1351 HydrophobicContact CB-CG 4.28Å; W1347-L1351 WeakPolarHBondContact O-CB 3.46Å; W1347-L1351 VanDerWaalsContact O-CG 3.23Å; W1347-L1351 WeakPolarHBondContact O-CG 3.43Å; W1347-L1351 PolarHBondContact O-N 3.19Å |
| 1348 | L | 89.2 | Confident | 86 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | -177.9 | -68.5 | 172.9 | 0 | 0 | 0 | 112 | V1284 F1288 A1291 I1303 I1343 S1345 E1346 V1352 Y1356 | V1284-L1348 HydrophobicContact CG1-CD2 4.07Å; F1288-L1348 HydrophobicContact CB-CD2 4.42Å; A1291-L1348 HydrophobicContact CB-CD1 4.12Å; A1291-L1348 HydrophobicContact CB-CD2 3.99Å; I1303-L1348 HydrophobicContact CD1-CD1 3.25Å; I1343-L1348 HydrophobicContact CD1-CD1 3.93Å; I1343-L1348 HydrophobicContact CD1-CD2 3.87Å; I1343-L1348 HydrophobicContact CD1-CG 3.84Å; S1345-L1348 PolarHBondContact O-N 3.49Å; E1346-L1348 VanDerWaalsContact C-N 3.27Å; E1346-L1348 PolarHBondContact O-N 3.29Å; L1348-V1352 CarbonylContact O-C 3.5Å; L1348-V1352 PolarHBondContact O-N 3.01Å; L1348-Y1356 HydrophobicContact CB-CD2 3.74Å; L1348-Y1356 HydrophobicContact CB-CE2 4.01Å; L1348-Y1356 HydrophobicContact CB-CG 4.26Å; L1348-Y1356 HydrophobicContact CD1-CE2 4.49Å; L1348-Y1356 HydrophobicContact CD2-CD2 4.34Å; L1348-Y1356 HydrophobicContact CD2-CE2 3.78Å; L1348-Y1356 HydrophobicContact CG-CE2 4.32Å; L1348-Y1356 WeakPolarHBondContact O-CD2 3.44Å |
| 1349 | Y | 86.2 | Confident | 84.4 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -89.6 | -26.3 | 178.1 | 61.1 | -97.2 | 0 | 0 | 0 | 112.8 | S1345 E1346 P1353 Y1358 | S1345-Y1349 WeakPolarHBondContact O-CD1 3.48Å; E1346-Y1349 VanDerWaalsContact CA-CZ 3.46Å; E1346-Y1349 WeakPolarHBondContact CA-OH 3.38Å; E1346-Y1349 HydrophobicContact CB-CE1 4.1Å; E1346-Y1349 VanDerWaalsContact CB-OH 3.28Å; E1346-Y1349 WeakPolarHBondContact CB-OH 3.34Å; E1346-Y1349 HydrophobicContact CG-CE1 4.27Å; E1346-Y1349 WeakPolarHBondContact CG-OH 3.46Å; E1346-Y1349 WeakPolarHBondContact O-CD1 3.48Å; E1346-Y1349 WeakPolarHBondContact O-CE1 3.32Å; E1346-Y1349 PolarHBondContact O-N 3.19Å; Y1349-P1353 WeakPolarHBondContact O-CA 3.32Å; Y1349-P1353 WeakPolarHBondContact O-CB 3.32Å; Y1349-Y1358 AromaticContact CD1-CD2 3.19Å; Y1349-Y1358 HydrophobicContact CD1-CD2 3.19Å; Y1349-Y1358 AromaticContact CD1-CE2 3.15Å; Y1349-Y1358 HydrophobicContact CD1-CE2 3.15Å; Y1349-Y1358 HydrophobicContact CD1-CG 4.43Å; Y1349-Y1358 HydrophobicContact CD2-CD2 4.11Å; Y1349-Y1358 AromaticContact CE1-CD2 3.42Å; Y1349-Y1358 HydrophobicContact CE1-CD2 3.42Å; Y1349-Y1358 VanDerWaalsContact CE1-CD2 3.42Å; Y1349-Y1358 AromaticContact CE1-CE2 2.92Å; Y1349-Y1358 HydrophobicContact CE1-CE2 2.92Å; Y1349-Y1358 AromaticContact CE1-CZ 3.72Å; Y1349-Y1358 HydrophobicContact CE2-CD2 4.38Å; Y1349-Y1358 HydrophobicContact CE2-CE2 4.46Å; Y1349-Y1358 AromaticContact CG-CD2 3.53Å; Y1349-Y1358 HydrophobicContact CG-CD2 3.53Å; Y1349-Y1358 AromaticContact CG-CE2 3.96Å; Y1349-Y1358 HydrophobicContact CG-CE2 3.96Å; Y1349-Y1358 HydrophobicContact CG-CG 4.5Å; Y1349-Y1358 AromaticContact CZ-CE2 3.71Å |
| 1350 | E | 87.3 | Confident | 82.4 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.5 | -44.5 | 176.7 | -72.5 | 180 | 172.2 | 0 | 0 | 112.3 | E1346 | E1346-E1350 WeakPolarHBondContact O-CG 3.44Å; E1346-E1350 PolarHBondContact O-N 3.08Å; E1346-E1350 VanDerWaalsContact O-N 3.15Å |
| 1351 | L | 87.4 | Confident | 80.2 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -87.9 | -28.5 | -174 | -54.5 | 179.7 | 0 | 0 | 0 | 112.4 | Q1281 V1284 Y1285 W1347 | Q1281-L1351 HydrophobicContact CB-CD1 3.78Å; Q1281-L1351 HydrophobicContact CG-CD1 3.99Å; V1284-L1351 HydrophobicContact CB-CD1 4.06Å; V1284-L1351 HydrophobicContact CG1-CB 4.49Å; V1284-L1351 HydrophobicContact CG1-CD1 3.95Å; Y1285-L1351 HydrophobicContact CD1-CB 4.24Å; Y1285-L1351 HydrophobicContact CD2-CD1 4.34Å; Y1285-L1351 HydrophobicContact CE1-CB 3.85Å; Y1285-L1351 VanDerWaalsContact CE1-O 3.28Å; Y1285-L1351 WeakPolarHBondContact CE1-O 3.48Å; Y1285-L1351 HydrophobicContact CE2-CB 4.31Å; Y1285-L1351 HydrophobicContact CE2-CD1 4.16Å; Y1285-L1351 HydrophobicContact CE2-CD2 3.91Å; Y1285-L1351 HydrophobicContact CE2-CG 4.36Å; W1347-L1351 HydrophobicContact CB-CD1 3.91Å; W1347-L1351 HydrophobicContact CB-CG 4.28Å; W1347-L1351 WeakPolarHBondContact O-CB 3.46Å; W1347-L1351 VanDerWaalsContact O-CG 3.23Å; W1347-L1351 WeakPolarHBondContact O-CG 3.43Å; W1347-L1351 PolarHBondContact O-N 3.19Å |
| 1352 | V | 85.6 | Confident | 77.8 | Confident | 10 Ų | 10 | 71 Ų | 71 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | trans | -135.1 | 61.4 | -177.5 | -161.1 | 0 | 0 | 0 | 0 | 111.5 | F1288 L1348 E1354 Y1355 Y1356 | F1288-V1352 HydrophobicContact CB-CB 4.33Å; F1288-V1352 HydrophobicContact CB-CG2 3.85Å; F1288-V1352 HydrophobicContact CD1-CB 4.44Å; F1288-V1352 HydrophobicContact CD1-CG1 4.06Å; F1288-V1352 HydrophobicContact CD1-CG2 3.78Å; F1288-V1352 HydrophobicContact CD2-CB 4.49Å; F1288-V1352 HydrophobicContact CD2-CG1 3.94Å; F1288-V1352 HydrophobicContact CE1-CG1 4.16Å; F1288-V1352 HydrophobicContact CE2-CG1 4.09Å; F1288-V1352 HydrophobicContact CG-CB 4.17Å; F1288-V1352 HydrophobicContact CG-CG1 3.95Å; F1288-V1352 HydrophobicContact CG-CG2 3.83Å; F1288-V1352 HydrophobicContact CZ-CG1 4.2Å; L1348-V1352 CarbonylContact O-C 3.5Å; L1348-V1352 PolarHBondContact O-N 3.01Å; V1352-E1354 PolarHBondContact O-N 3.34Å; V1352-E1354 VanDerWaalsContact O-N 3.15Å; V1352-Y1355 PolarHBondContact O-N 2.99Å; V1352-Y1355 VanDerWaalsContact O-N 3.1Å; V1352-Y1356 PolarHBondContact O-N 3.43Å | ||
| 1353 | P | 83 | Confident | 75.9 | Confident | 79 Ų | 79 | 75.2 Ų | 75.2 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.8 | -177.5 | 25.5 | -35.1 | 0 | 0 | 0 | 113.4 | Y1349 Y1355 | Y1349-P1353 WeakPolarHBondContact O-CA 3.32Å; Y1349-P1353 WeakPolarHBondContact O-CB 3.32Å; P1353-Y1355 PolarHBondContact O-N 3.04Å |
| 1354 | E | 77.5 | Confident | 73.9 | Confident | 155 Ų | 155 | 81 Ų | 81 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.7 | 178.5 | -62.3 | 173.7 | -169.6 | 0 | 0 | 113.1 | V1352 | V1352-E1354 PolarHBondContact O-N 3.34Å; V1352-E1354 VanDerWaalsContact O-N 3.15Å |
| 1355 | Y | 83.1 | Confident | 72.1 | Confident | 38 Ų | 38 | 80.4 Ų | 80.4 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -35.1 | -178.9 | -165.3 | -96.2 | 0 | 0 | 0 | 113.1 | A1135 F1288 R1304 V1352 P1353 | A1135-Y1355 HydrophobicContact CB-CD2 3.61Å; A1135-Y1355 HydrophobicContact CB-CE2 4.24Å; A1135-Y1355 HydrophobicContact CB-CG 4.46Å; F1288-Y1355 AromaticContact CD2-CD1 3.65Å; F1288-Y1355 HydrophobicContact CD2-CD1 3.65Å; F1288-Y1355 HydrophobicContact CD2-CD2 4.2Å; F1288-Y1355 HydrophobicContact CD2-CE1 4.11Å; F1288-Y1355 AromaticContact CD2-CG 3.66Å; F1288-Y1355 HydrophobicContact CD2-CG 3.66Å; F1288-Y1355 AromaticContact CE2-CD1 3.9Å; F1288-Y1355 HydrophobicContact CE2-CD1 3.9Å; F1288-Y1355 AromaticContact CE2-CD2 3.57Å; F1288-Y1355 HydrophobicContact CE2-CD2 3.57Å; F1288-Y1355 HydrophobicContact CE2-CE1 4.28Å; F1288-Y1355 AromaticContact CE2-CE2 3.97Å; F1288-Y1355 HydrophobicContact CE2-CE2 3.97Å; F1288-Y1355 AromaticContact CE2-CG 3.49Å; F1288-Y1355 HydrophobicContact CE2-CG 3.49Å; F1288-Y1355 VanDerWaalsContact CE2-CG 3.49Å; R1304-Y1355 WeakPolarHBondContact CD-OH 3.43Å; R1304-Y1355 HydrophobicContact CG-CE1 4.36Å; R1304-Y1355 PolarHBondContact NH2-O 2.72Å; V1352-Y1355 PolarHBondContact O-N 2.99Å; V1352-Y1355 VanDerWaalsContact O-N 3.1Å; P1353-Y1355 PolarHBondContact O-N 3.04Å |
| 1356 | Y | 81.6 | Confident | 70.4 | Confident | 28 Ų | 28 | 84.2 Ų | 84.2 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | trans | -117.6 | 112.1 | -179.7 | -68.3 | -67.2 | 0 | 0 | 0 | 111.3 | F1288 I1303 L1348 V1352 | F1288-Y1356 HydrophobicContact CB-CE2 4.11Å; F1288-Y1356 HydrophobicContact CD2-CE2 4.36Å; F1288-Y1356 VanDerWaalsContact O-CE2 3.3Å; F1288-Y1356 WeakPolarHBondContact O-CE2 3.48Å; F1288-Y1356 PolarHBondContact O-OH 3.34Å; I1303-Y1356 HydrophobicContact CB-CE1 3.95Å; I1303-Y1356 HydrophobicContact CD1-CE1 4.08Å; I1303-Y1356 HydrophobicContact CG2-CD1 4.19Å; I1303-Y1356 HydrophobicContact CG2-CE1 3.56Å; L1348-Y1356 HydrophobicContact CB-CD2 3.74Å; L1348-Y1356 HydrophobicContact CB-CE2 4.01Å; L1348-Y1356 HydrophobicContact CB-CG 4.26Å; L1348-Y1356 HydrophobicContact CD1-CE2 4.49Å; L1348-Y1356 HydrophobicContact CD2-CD2 4.34Å; L1348-Y1356 HydrophobicContact CD2-CE2 3.78Å; L1348-Y1356 HydrophobicContact CG-CE2 4.32Å; L1348-Y1356 WeakPolarHBondContact O-CD2 3.44Å; V1352-Y1356 PolarHBondContact O-N 3.43Å | ||
| 1357 | E | 67.8 | Low | 68.7 | Low | 192 Ų | 192 | 87.2 Ų | 87.2 | 90% | 0.897 | 43% | 0.426 | S | S | * | . | trans | -90 | 130.6 | 169.8 | -67.6 | -178.1 | -178.8 | 0 | 0 | 110.2 | ||||
| 1358 | Y | 55.6 | Low | 67 | Low | 98 Ų | 98 | 96 Ų | 96 | 38% | 0.384 | 46% | 0.46 | S | S | . | . | trans | -75.2 | 132.2 | 170.1 | -135.3 | -103.7 | 0 | 0 | 0 | 109 | Y1349 R1364 | Y1349-Y1358 AromaticContact CD1-CD2 3.19Å; Y1349-Y1358 HydrophobicContact CD1-CD2 3.19Å; Y1349-Y1358 AromaticContact CD1-CE2 3.15Å; Y1349-Y1358 HydrophobicContact CD1-CE2 3.15Å; Y1349-Y1358 HydrophobicContact CD1-CG 4.43Å; Y1349-Y1358 HydrophobicContact CD2-CD2 4.11Å; Y1349-Y1358 AromaticContact CE1-CD2 3.42Å; Y1349-Y1358 HydrophobicContact CE1-CD2 3.42Å; Y1349-Y1358 VanDerWaalsContact CE1-CD2 3.42Å; Y1349-Y1358 AromaticContact CE1-CE2 2.92Å; Y1349-Y1358 HydrophobicContact CE1-CE2 2.92Å; Y1349-Y1358 AromaticContact CE1-CZ 3.72Å; Y1349-Y1358 HydrophobicContact CE2-CD2 4.38Å; Y1349-Y1358 HydrophobicContact CE2-CE2 4.46Å; Y1349-Y1358 AromaticContact CG-CD2 3.53Å; Y1349-Y1358 HydrophobicContact CG-CD2 3.53Å; Y1349-Y1358 AromaticContact CG-CE2 3.96Å; Y1349-Y1358 HydrophobicContact CG-CE2 3.96Å; Y1349-Y1358 HydrophobicContact CG-CG 4.5Å; Y1349-Y1358 AromaticContact CZ-CE2 3.71Å; Y1358-R1364 VanDerWaalsContact CB-NH2 3.31Å; Y1358-R1364 HydrophobicContact CD1-CG 4.11Å | ||
| 1359 | G | 53.9 | Low | 65.1 | Low | 30 Ų | 30 | 104.2 Ų | 104.2 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | trans | -36.2 | 139.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1363 | G1359-E1363 WeakPolarHBondContact CA-OE2 3.39Š| ||
| 1360 | T | 49.1 | Very low | 63.6 | Low | 95 Ų | 95 | 107.5 Ų | 107.5 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | trans | -38.2 | 153.8 | -169.9 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | R1362 E1363 R1364 | T1360-R1362 CarbonylContact O-C 3.57Å; T1360-R1362 PolarHBondContact O-N 3.45Å; T1360-E1363 PolarHBondContact N-OE2 2.88Å; T1360-E1363 VanDerWaalsContact N-OE2 3.09Å; T1360-E1363 PolarHBondContact O-N 3.4Å; T1360-R1364 PolarHBondContact O-N 3.03Å | ||
| 1361 | V | 48.5 | Very low | 61.6 | Low | 131 Ų | 131 | 105.4 Ų | 105.4 | 79% | 0.794 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -43.1 | -31.3 | 176.8 | 177.8 | 0 | 0 | 0 | 0 | 113.3 | A1365 | V1361-A1365 PolarHBondContact O-N 3.29Å |
| 1362 | R | 44.8 | Very low | 59.8 | Low | 207 Ų | 207 | 111.6 Ų | 111.6 | 78% | 0.781 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.9 | -43.3 | 171.2 | -102.8 | -178.7 | 171.4 | 176.1 | -2.4 | 114.9 | T1360 A1365 L1366 | T1360-R1362 CarbonylContact O-C 3.57Å; T1360-R1362 PolarHBondContact O-N 3.45Å; R1362-A1365 PolarHBondContact O-N 2.78Å; R1362-L1366 PolarHBondContact O-N 2.88Å; R1362-L1366 VanDerWaalsContact O-N 3.08Å |
| 1363 | E | 54.4 | Low | 58 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.1 | -34.6 | -178.7 | -73.7 | 173.9 | 125.5 | 0 | 0 | 112.3 | G1359 T1360 A1365 L1366 K1367 | G1359-E1363 WeakPolarHBondContact CA-OE2 3.39Å; T1360-E1363 PolarHBondContact N-OE2 2.88Å; T1360-E1363 VanDerWaalsContact N-OE2 3.09Å; T1360-E1363 PolarHBondContact O-N 3.4Å; E1363-A1365 VanDerWaalsContact C-N 3.34Å; E1363-L1366 PolarHBondContact O-N 3.15Å; E1363-K1367 PolarHBondContact O-N 3.05Å |
| 1364 | R | 52.9 | Low | 56.1 | Low | 131 Ų | 131 | 118 Ų | 118 | 49% | 0.494 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -36.8 | 170.2 | -74.7 | -177.9 | 173.8 | 167.8 | -0.7 | 112.2 | Y1358 T1360 R1368 | Y1358-R1364 VanDerWaalsContact CB-NH2 3.31Å; Y1358-R1364 HydrophobicContact CD1-CG 4.11Å; T1360-R1364 PolarHBondContact O-N 3.03Å; R1364-R1368 PolarHBondContact O-N 3.25Å |
| 1365 | A | 54.6 | Low | 54.3 | Low | 56 Ų | 56 | 120.3 Ų | 120.3 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.9 | -33.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | V1361 R1362 E1363 K1369 | V1361-A1365 PolarHBondContact O-N 3.29Å; R1362-A1365 PolarHBondContact O-N 2.78Å; E1363-A1365 VanDerWaalsContact C-N 3.34Å; A1365-K1369 PolarHBondContact O-N 3.37Å |
| 1366 | L | 54.2 | Low | 51.9 | Low | 109 Ų | 109 | 131.1 Ų | 131.1 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.7 | -41.4 | 176.8 | -98.3 | 144.1 | 0 | 0 | 0 | 112.6 | R1362 E1363 K1369 I1370 | R1362-L1366 PolarHBondContact O-N 2.88Å; R1362-L1366 VanDerWaalsContact O-N 3.08Å; E1363-L1366 PolarHBondContact O-N 3.15Å; L1366-K1369 PolarHBondContact O-N 3.2Å; L1366-I1370 WeakPolarHBondContact O-CG1 2.95Å |
| 1367 | K | 54 | Low | 50.4 | Low | 152 Ų | 152 | 136.3 Ų | 136.3 | 66% | 0.661 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71.2 | -35 | 178.3 | -78.1 | -174.4 | 175.8 | 179.5 | 0 | 113.8 | E1363 K1369 I1370 G1371 | E1363-K1367 PolarHBondContact O-N 3.05Å; K1367-K1369 PolarHBondContact O-N 2.6Å; K1367-I1370 PolarHBondContact O-N 3.43Å; K1367-G1371 PolarHBondContact O-N 2.8Å |
| 1368 | R | 56 | Low | 49.5 | Very low | 209 Ų | 209 | 133.4 Ų | 133.4 | 79% | 0.789 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65 | -24 | 172.8 | -77.2 | -177.1 | 176.9 | 169 | -1.4 | 113.3 | R1364 | R1364-R1368 PolarHBondContact O-N 3.25Å |
| 1369 | K | 49.6 | Very low | 49.2 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -14.3 | 175.6 | -82.7 | -173.6 | 172.2 | -172.6 | 0 | 114.7 | A1365 L1366 K1367 | A1365-K1369 PolarHBondContact O-N 3.37Å; L1366-K1369 PolarHBondContact O-N 3.2Å; K1367-K1369 PolarHBondContact O-N 2.6Å |
| 1370 | I | 54.3 | Low | 48.9 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 57% | 0.569 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -18.3 | -176.4 | -63.3 | 168.4 | 0 | 0 | 0 | 111.3 | L1366 K1367 S1373 | L1366-I1370 WeakPolarHBondContact O-CG1 2.95Å; K1367-I1370 PolarHBondContact O-N 3.43Å; I1370-S1373 PolarHBondContact O-OG 2.96Å |
| 1371 | G | 46.4 | Very low | 48.9 | Very low | 65 Ų | 65 | 144.4 Ų | 144.4 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -8.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | K1367 | K1367-G1371 PolarHBondContact O-N 2.8Š|
| 1372 | D | 48.9 | Very low | 48.9 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 10.5 | -177.5 | -88.7 | -14 | 0 | 0 | 0 | 113.4 | ||
| 1373 | S | 46.9 | Very low | 49.2 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -118.7 | 1.7 | -172.6 | 61.1 | 0 | 0 | 0 | 0 | 117.2 | I1370 | I1370-S1373 PolarHBondContact O-OG 2.96Š|
| 1374 | D | 44.1 | Very low | 48.8 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | -125.6 | 30.6 | -173.2 | -72.1 | -20.3 | 0 | 0 | 0 | 114.6 | ||||
| 1375 | E | 39.2 | Very low | 48.5 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 95% | 0.953 | 74% | 0.739 | S | S | * | * | trans | -117.4 | 73.7 | 164.6 | -74.5 | -170 | 168.8 | 0 | 0 | 111.3 | ||||
| 1376 | E | 33.3 | Very low | 47.9 | Very low | 265 Ų | 265 | 152.4 Ų | 152.4 | 100% | 1.238 | 76% | 0.764 | S | S | * | * | trans | -132.6 | 0 | 145.4 | -95.2 | -170.6 | 171.3 | 0 | 0 | 106.7 |
Retrieved 1,376 of 1,376 residues in 604.2 ms
(Link to these results)