| 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 | 32.1 | Very low | 66.5 | Low | 244 Ų | 244 | 78 Ų | 78 | 100% | 1.202 | 45% | 0.452 | S | S | * | . | 0 | 99.3 | 0 | -71.1 | 179.8 | 170.4 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | S | 31.2 | Very low | 68.4 | Low | 109 Ų | 109 | 72.1 Ų | 72.1 | 76% | 0.762 | 42% | 0.418 | S | S | * | . | trans | -74.4 | 103.4 | 172.3 | 67.4 | 0 | 0 | 0 | 0 | 107.1 | T4 | S2-T4 VanDerWaalsContact C-N 3.27Å; S2-T4 PolarHBondContact O-N 2.79Å | ||
| 3 | S | 35.6 | Very low | 69.6 | Low | 98 Ų | 98 | 73 Ų | 73 | 69% | 0.685 | 42% | 0.421 | S | S | * | . | trans | -61.5 | 99.2 | 166.1 | 55 | 0 | 0 | 0 | 0 | 106.1 | M1 L5 | M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-L5 PolarHBondContact O-N 2.87Å | ||
| 4 | T | 50.5 | Low | 69.3 | Low | 88 Ų | 88 | 73.5 Ų | 73.5 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | trans | -65.2 | 91.2 | 171.6 | 40.4 | 0 | 0 | 0 | 0 | 106.8 | S2 S6 | S2-T4 VanDerWaalsContact C-N 3.27Å; S2-T4 PolarHBondContact O-N 2.79Å; T4-S6 PolarHBondContact O-N 3.21Å | ||
| 5 | L | 63.3 | Low | 68.8 | Low | 119 Ų | 119 | 76.3 Ų | 76.3 | 62% | 0.623 | 46% | 0.455 | S | S | * | . | trans | -54 | 124.7 | 176.8 | -104.1 | 99.1 | 0 | 0 | 0 | 107.7 | S3 | S3-L5 PolarHBondContact O-N 2.87Š| ||
| 6 | S | 76.8 | Confident | 68 | Low | 49 Ų | 49 | 75.4 Ų | 75.4 | 34% | 0.343 | 45% | 0.454 | S | S | . | . | trans | -49.8 | 135.1 | 170.7 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | T4 F8 K62 | T4-S6 PolarHBondContact O-N 3.21Å; S6-F8 PolarHBondContact O-N 3.21Å; S6-F8 WeakPolarHBondContact OG-CD2 3.15Å; S6-F8 PolarHBondContact OG-N 3.25Å; S6-F8 VanDerWaalsContact OG-N 3.14Å; S6-K62 WeakPolarHBondContact O-CE 3.45Å; S6-K62 PolarHBondContact O-NZ 3.24Å | ||
| 7 | P | 82.7 | Confident | 67.7 | Low | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.032 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -70.2 | -16.3 | 171.5 | 35.5 | -40.4 | 0 | 0 | 0 | 111.7 | S57 H58 R61 K62 Y157 | P7-S57 WeakPolarHBondContact CD-O 3.3Å; P7-S57 VanDerWaalsContact CG-O 3.27Å; P7-S57 WeakPolarHBondContact CG-O 3.36Å; P7-H58 WeakPolarHBondContact CB-O 3.04Å; P7-R61 HydrophobicContact CB-CB 4.25Å; P7-K62 VanDerWaalsContact CA-CE 3.42Å; P7-K62 HydrophobicContact CB-CG 4.35Å; P7-K62 WeakPolarHBondContact O-CG 3.17Å; P7-Y157 HydrophobicContact CB-CD1 4.41Å |
| 8 | F | 89.1 | Confident | 67.1 | Low | 17 Ų | 17 | 72.1 Ų | 72.1 | 8% | 0.075 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -80.1 | 148.1 | -174.2 | -52.5 | -66.5 | 0 | 0 | 0 | 111.5 | S6 V12 L17 P56 H156 Y157 | S6-F8 PolarHBondContact O-N 3.21Å; S6-F8 WeakPolarHBondContact OG-CD2 3.15Å; S6-F8 PolarHBondContact OG-N 3.25Å; S6-F8 VanDerWaalsContact OG-N 3.14Å; F8-V12 HydrophobicContact CB-CB 4.06Å; F8-V12 HydrophobicContact CB-CG1 4.29Å; F8-V12 HydrophobicContact CB-CG2 4.16Å; F8-V12 HydrophobicContact CG-CG1 4.37Å; F8-L17 HydrophobicContact CD1-CD1 4.22Å; F8-L17 HydrophobicContact CD2-CD1 4.3Å; F8-L17 HydrophobicContact CE1-CD1 3.54Å; F8-L17 HydrophobicContact CE2-CB 3.62Å; F8-L17 HydrophobicContact CE2-CD1 3.66Å; F8-L17 HydrophobicContact CE2-CG 4.25Å; F8-L17 HydrophobicContact CZ-CB 3.81Å; F8-L17 HydrophobicContact CZ-CD1 3.25Å; F8-L17 HydrophobicContact CZ-CG 4.03Å; F8-P56 HydrophobicContact CZ-CB 4.32Å; F8-P56 WeakPolarHBondContact CZ-O 3.34Å; F8-H156 CarbonylContact C-O 3.56Å; F8-H156 WeakPolarHBondContact CA-O 3.2Å; F8-H156 HydrophobicContact CD1-CB 4.31Å; F8-Y157 HydrophobicContact CD1-CD1 4.05Å; F8-Y157 AromaticContact CD1-CE1 3.62Å; F8-Y157 HydrophobicContact CD1-CE1 3.62Å; F8-Y157 HydrophobicContact CE1-CD1 4.2Å; F8-Y157 AromaticContact CE1-CE1 3.32Å; F8-Y157 HydrophobicContact CE1-CE1 3.32Å; F8-Y157 AromaticContact CE1-CZ 3.79Å; F8-Y157 HydrophobicContact CZ-CE1 4.31Å |
| 9 | T | 90.2 | Very high | 66.6 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 18% | 0.184 | 46% | 0.463 | C | S | . | . | trans | -69.2 | 169.9 | 169.6 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | L11 V12 L155 H156 | T9-L11 PolarHBondContact O-N 3.26Å; T9-L11 WeakPolarHBondContact OG1-CB 2.92Å; T9-L11 PolarHBondContact OG1-N 3.22Å; T9-V12 PolarHBondContact O-N 3.41Å; T9-L155 WeakPolarHBondContact CG2-O 3.45Å; T9-L155 PolarHBondContact OG1-O 2.87Å; T9-H156 PolarHBondContact N-O 3.41Å | ||
| 10 | D | 89.6 | Confident | 66.2 | Low | 97 Ų | 97 | 77.6 Ų | 77.6 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -4.5 | 170.2 | 61.7 | -25 | 0 | 0 | 0 | 113.5 | V12 N87 N120 | D10-V12 VanDerWaalsContact C-N 3.28Å; D10-V12 PolarHBondContact O-N 3.27Å; D10-N87 VanDerWaalsContact CG-ND2 3.25Å; D10-N87 PolarHBondContact OD1-ND2 3.35Å; D10-N87 PolarHBondContact OD2-ND2 3.02Å; D10-N120 PolarHBondContact O-ND2 2.92Å |
| 11 | L | 90.6 | Very high | 65.6 | Low | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.01 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 1 | 177.2 | -53.5 | -178.9 | 0 | 0 | 0 | 113.3 | T9 L119 N120 L122 C126 L155 I160 | T9-L11 PolarHBondContact O-N 3.26Å; T9-L11 WeakPolarHBondContact OG1-CB 2.92Å; T9-L11 PolarHBondContact OG1-N 3.22Å; L11-L119 HydrophobicContact CB-CD2 4.24Å; L11-L119 WeakPolarHBondContact O-CA 3.43Å; L11-L119 WeakPolarHBondContact O-CD2 3.47Å; L11-N120 VanDerWaalsContact C-CG 3.49Å; L11-N120 VanDerWaalsContact O-CG 3.3Å; L11-N120 PolarHBondContact O-N 3.49Å; L11-N120 PolarHBondContact O-OD1 3.29Å; L11-L122 HydrophobicContact CD2-CB 4.38Å; L11-L122 HydrophobicContact CD2-CD2 3.81Å; L11-L122 HydrophobicContact CD2-CG 3.75Å; L11-C126 HydrophobicContact CD1-CB 4.28Å; L11-L155 HydrophobicContact CD1-CB 4.3Å; L11-L155 HydrophobicContact CD1-CD2 3.64Å; L11-L155 HydrophobicContact CD1-CG 4.46Å; L11-I160 HydrophobicContact CD1-CG1 4.39Å |
| 12 | V | 89.2 | Confident | 67 | Low | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.042 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -117.9 | 137.7 | -173.7 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | F8 T9 D10 S14 F118 L119 H156 | F8-V12 HydrophobicContact CB-CB 4.06Å; F8-V12 HydrophobicContact CB-CG1 4.29Å; F8-V12 HydrophobicContact CB-CG2 4.16Å; F8-V12 HydrophobicContact CG-CG1 4.37Å; T9-V12 PolarHBondContact O-N 3.41Å; D10-V12 VanDerWaalsContact C-N 3.28Å; D10-V12 PolarHBondContact O-N 3.27Å; V12-S14 VanDerWaalsContact C-N 3.28Å; V12-S14 PolarHBondContact O-N 3.13Å; V12-F118 WeakPolarHBondContact CA-O 3.27Å; V12-F118 HydrophobicContact CG1-CB 3.84Å; V12-F118 WeakPolarHBondContact CG1-O 3.38Å; V12-L119 HydrophobicContact CG2-CD2 4.28Å; V12-H156 HydrophobicContact CG2-CB 4.01Å |
| 13 | D | 83.6 | Confident | 68.3 | Low | 84 Ų | 84 | 73.3 Ų | 73.3 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | trans | -73.5 | 83.7 | 170.1 | -70.9 | -35.7 | 0 | 0 | 0 | 110.5 | S15 S16 F118 N120 | D13-S15 PolarHBondContact O-N 2.84Å; D13-S16 WeakPolarHBondContact O-CB 3.22Å; D13-S16 PolarHBondContact O-N 3.14Å; D13-S16 PolarHBondContact O-OG 3.38Å; D13-F118 PolarHBondContact N-O 3.15Å; D13-N120 VanDerWaalsContact OD1-CB 3.25Å; D13-N120 WeakPolarHBondContact OD1-CB 3.05Å | ||
| 14 | S | 65.6 | Low | 69.6 | Low | 80 Ų | 80 | 70.9 Ų | 70.9 | 56% | 0.559 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -59.7 | -16.4 | -168 | 62.4 | 0 | 0 | 0 | 0 | 116.2 | V12 S16 | V12-S14 VanDerWaalsContact C-N 3.28Å; V12-S14 PolarHBondContact O-N 3.13Å; S14-S16 PolarHBondContact O-N 2.86Å; S14-S16 VanDerWaalsContact O-N 3.13Å |
| 15 | S | 62.4 | Low | 70.5 | Confident | 115 Ų | 115 | 70.6 Ų | 70.6 | 80% | 0.804 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -63.9 | -14.6 | 175.8 | 51 | 0 | 0 | 0 | 0 | 113.7 | D13 | D13-S15 PolarHBondContact O-N 2.84Š|
| 16 | S | 55.5 | Low | 71 | Confident | 62 Ų | 62 | 69 Ų | 69 | 43% | 0.434 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -91.4 | -10 | -166.6 | -43.6 | 0 | 0 | 0 | 0 | 114.8 | D13 S14 | D13-S16 WeakPolarHBondContact O-CB 3.22Å; D13-S16 PolarHBondContact O-N 3.14Å; D13-S16 PolarHBondContact O-OG 3.38Å; S14-S16 PolarHBondContact O-N 2.86Å; S14-S16 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 63.6 | Low | 71 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -126.6 | 111.7 | -170.7 | -71.2 | 160.2 | 0 | 0 | 0 | 110.8 | F8 P56 F118 F246 | F8-L17 HydrophobicContact CD1-CD1 4.22Å; F8-L17 HydrophobicContact CD2-CD1 4.3Å; F8-L17 HydrophobicContact CE1-CD1 3.54Å; F8-L17 HydrophobicContact CE2-CB 3.62Å; F8-L17 HydrophobicContact CE2-CD1 3.66Å; F8-L17 HydrophobicContact CE2-CG 4.25Å; F8-L17 HydrophobicContact CZ-CB 3.81Å; F8-L17 HydrophobicContact CZ-CD1 3.25Å; F8-L17 HydrophobicContact CZ-CG 4.03Å; L17-P56 HydrophobicContact CD2-CB 4.43Å; L17-F118 HydrophobicContact CD1-CD2 3.8Å; L17-F118 HydrophobicContact CD1-CE2 4.15Å; L17-F118 HydrophobicContact CD1-CG 4.34Å; L17-F118 HydrophobicContact CD2-CD2 4.38Å; L17-F118 HydrophobicContact CD2-CE2 3.88Å; L17-F118 HydrophobicContact CD2-CZ 4.31Å; L17-F118 HydrophobicContact CG-CD2 4.29Å; L17-F118 HydrophobicContact CG-CE2 4.23Å; L17-F246 HydrophobicContact CD1-CE1 4.2Å; L17-F246 HydrophobicContact CD2-CD1 4.1Å; L17-F246 HydrophobicContact CD2-CE1 4.39Å |
| 18 | G | 56.1 | Low | 71 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | trans | -58.9 | 139.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S57 | G18-S57 VanDerWaalsContact O-CB 3.3Å; G18-S57 WeakPolarHBondContact O-CB 3.46Å; G18-S57 PolarHBondContact O-OG 2.99Å | ||
| 19 | K | 56.9 | Low | 70.7 | Confident | 175 Ų | 175 | 75 Ų | 75 | 76% | 0.761 | 46% | 0.457 | S | S | * | . | trans | -77.8 | 132.1 | 174 | -65.6 | -176.2 | -180 | -177 | 0 | 109.9 | ||||
| 20 | V | 58.8 | Low | 70.5 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 48% | 0.479 | 45% | 0.449 | S | S | . | . | trans | -126.6 | 149.3 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | Y22 | V20-Y22 HydrophobicContact CB-CE1 3.95Å; V20-Y22 HydrophobicContact CG1-CE1 4.33Å; V20-Y22 WeakPolarHBondContact O-CE1 3.19Å; V20-Y22 WeakPolarHBondContact O-CE2 3.41Å; V20-Y22 PolarHBondContact O-OH 3.07Å | ||
| 21 | V | 53.6 | Low | 70.4 | Confident | 142 Ų | 142 | 72 Ų | 72 | 86% | 0.861 | 45% | 0.445 | S | S | * | . | trans | -87.5 | 136.2 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 22 | Y | 62.1 | Low | 70.2 | Confident | 63 Ų | 63 | 75.1 Ų | 75.1 | 25% | 0.247 | 47% | 0.467 | C | S | . | . | trans | -113 | 145.6 | -171.2 | -48.9 | -62.1 | 0 | 0 | 0 | 112.8 | V20 P55 S57 H58 P59 | V20-Y22 HydrophobicContact CB-CE1 3.95Å; V20-Y22 HydrophobicContact CG1-CE1 4.33Å; V20-Y22 WeakPolarHBondContact O-CE1 3.19Å; V20-Y22 WeakPolarHBondContact O-CE2 3.41Å; V20-Y22 PolarHBondContact O-OH 3.07Å; Y22-P55 HydrophobicContact CD1-CG 4.19Å; Y22-P55 HydrophobicContact CE1-CG 3.44Å; Y22-P55 VanDerWaalsContact CE1-CG 3.44Å; Y22-S57 WeakPolarHBondContact OH-CB 3.36Å; Y22-S57 PolarHBondContact OH-O 3.13Å; Y22-S57 PolarHBondContact OH-OG 2.87Å; Y22-H58 HydrophobicContact CD1-CB 4.32Å; Y22-H58 AromaticContact CD1-CD2 3.17Å; Y22-H58 WeakPolarHBondContact CD1-CD2 3.5Å; Y22-H58 AromaticContact CD1-NE2 3.93Å; Y22-H58 HydrophobicContact CE1-CB 3.99Å; Y22-H58 AromaticContact CE1-CD2 3.76Å; Y22-H58 AromaticContact CG-CD2 3.36Å; Y22-H58 AromaticContact CG-NE2 3.66Å; Y22-H58 PolarHBondContact OH-N 3.34Å; Y22-P59 VanDerWaalsContact CD2-CD 3.45Å; Y22-P59 HydrophobicContact CD2-CG 4.15Å; Y22-P59 HydrophobicContact CE2-CG 4.12Å | ||
| 23 | N | 57.9 | Low | 70.1 | Confident | 137 Ų | 137 | 75.7 Ų | 75.7 | 73% | 0.733 | 47% | 0.47 | S | S | * | . | trans | -99.1 | 119 | 174.7 | -141.4 | 2 | 0 | 0 | 0 | 109.4 | S25 | N23-S25 VanDerWaalsContact C-N 3.31Å; N23-S25 PolarHBondContact O-N 3.4Å | ||
| 24 | G | 62.6 | Low | 70.3 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | E26 L27 | G24-E26 VanDerWaalsContact C-N 3.27Å; G24-E26 PolarHBondContact O-N 3.32Å; G24-L27 PolarHBondContact O-N 2.85Å |
| 25 | S | 70.6 | Confident | 71.2 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 57% | 0.573 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.7 | -28.6 | -174.4 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | N23 L27 | N23-S25 VanDerWaalsContact C-N 3.31Å; N23-S25 PolarHBondContact O-N 3.4Å; S25-L27 VanDerWaalsContact C-N 3.27Å; S25-L27 PolarHBondContact O-N 3.21Å |
| 26 | E | 73.3 | Confident | 72.1 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 40% | 0.402 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.7 | -25.9 | -179 | -63.4 | -179.8 | 169.6 | 0 | 0 | 112.5 | G24 L30 F48 | G24-E26 VanDerWaalsContact C-N 3.27Å; G24-E26 PolarHBondContact O-N 3.32Å; E26-L30 WeakPolarHBondContact O-CB 3.45Å; E26-L30 PolarHBondContact O-N 3.15Å; E26-L30 VanDerWaalsContact O-N 3.11Å; E26-F48 HydrophobicContact CB-CZ 4.49Å |
| 27 | L | 77.7 | Confident | 73.2 | Confident | 59 Ų | 59 | 74 Ų | 74 | 31% | 0.309 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73 | -41.9 | -175.2 | -62.3 | 172.2 | 0 | 0 | 0 | 112.4 | G24 S25 V29 L30 S31 I60 | G24-L27 PolarHBondContact O-N 2.85Å; S25-L27 VanDerWaalsContact C-N 3.27Å; S25-L27 PolarHBondContact O-N 3.21Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 3.45Å; L27-L30 PolarHBondContact O-N 3.35Å; L27-S31 PolarHBondContact O-N 3.01Å; L27-S31 PolarHBondContact O-OG 3Å; L27-I60 HydrophobicContact CD2-CB 3.84Å; L27-I60 HydrophobicContact CD2-CD1 3.36Å; L27-I60 HydrophobicContact CD2-CG1 4.05Å; L27-I60 HydrophobicContact CD2-CG2 4.28Å |
| 28 | A | 81.5 | Confident | 74 | Confident | 72 Ų | 72 | 74.9 Ų | 74.9 | 60% | 0.595 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S32 | A28-S32 PolarHBondContact O-N 3.17Å; A28-S32 VanDerWaalsContact O-N 3.15Å |
| 29 | V | 83.8 | Confident | 75 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | L27 S32 L33 F48 | L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 3.45Å; V29-S32 PolarHBondContact O-N 3.34Å; V29-S32 PolarHBondContact O-OG 3.2Å; V29-L33 HydrophobicContact CG1-CD1 3.99Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 3.22Å; V29-L33 VanDerWaalsContact O-N 3.08Å; V29-F48 HydrophobicContact CB-CE2 4Å; V29-F48 HydrophobicContact CB-CZ 4.19Å; V29-F48 HydrophobicContact CG1-CD2 3.95Å; V29-F48 HydrophobicContact CG1-CE2 3.56Å; V29-F48 HydrophobicContact CG1-CZ 4.16Å |
| 30 | L | 86.4 | Confident | 76.1 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 179.1 | -179 | 54.5 | 0 | 0 | 0 | 112.9 | E26 L27 S32 L33 L34 L45 F48 I49 L52 I60 L64 | E26-L30 WeakPolarHBondContact O-CB 3.45Å; E26-L30 PolarHBondContact O-N 3.15Å; E26-L30 VanDerWaalsContact O-N 3.11Å; L27-L30 PolarHBondContact O-N 3.35Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 2.94Å; L30-L33 PolarHBondContact O-N 3.26Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.13Å; L30-L34 HydrophobicContact CG-CD1 4.02Å; L30-L34 HydrophobicContact CG-CG 4.46Å; L30-L34 WeakPolarHBondContact O-CG 3.38Å; L30-L34 PolarHBondContact O-N 3.29Å; L30-L45 HydrophobicContact CD1-CD1 3.76Å; L30-F48 HydrophobicContact CB-CE1 3.83Å; L30-F48 HydrophobicContact CB-CZ 4.39Å; L30-F48 HydrophobicContact CD1-CD1 4.08Å; L30-F48 HydrophobicContact CD1-CE1 4.1Å; L30-F48 HydrophobicContact CG-CE1 4.38Å; L30-I49 HydrophobicContact CD1-CD1 3.97Å; L30-L52 HydrophobicContact CD2-CD2 4.11Å; L30-I60 HydrophobicContact CD2-CD1 3.33Å; L30-I60 HydrophobicContact CG-CD1 4.3Å; L30-L64 HydrophobicContact CD2-CD1 3.84Å |
| 31 | S | 85.6 | Confident | 77.2 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 43% | 0.427 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 175.5 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | L27 L33 L34 D35 | L27-S31 PolarHBondContact O-N 3.01Å; L27-S31 PolarHBondContact O-OG 3Å; S31-L33 PolarHBondContact O-N 3.11Å; S31-L34 PolarHBondContact O-N 3.12Å; S31-L34 VanDerWaalsContact O-N 3.11Å; S31-D35 PolarHBondContact O-N 3.43Å; S31-D35 VanDerWaalsContact O-N 3.14Å |
| 32 | S | 86.6 | Confident | 78.8 | Confident | 69 Ų | 69 | 72 Ų | 72 | 48% | 0.483 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.7 | -32.1 | 178 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | A28 V29 L30 | A28-S32 PolarHBondContact O-N 3.17Å; A28-S32 VanDerWaalsContact O-N 3.15Å; V29-S32 PolarHBondContact O-N 3.34Å; V29-S32 PolarHBondContact O-OG 3.2Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 2.94Å |
| 33 | L | 88.7 | Confident | 80.1 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -81.2 | -29 | 177.9 | -70.7 | 174.7 | 0 | 0 | 0 | 113.2 | V29 L30 S31 K44 L45 F48 | V29-L33 HydrophobicContact CG1-CD1 3.99Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 WeakPolarHBondContact O-CG 3.36Å; V29-L33 PolarHBondContact O-N 3.22Å; V29-L33 VanDerWaalsContact O-N 3.08Å; L30-L33 PolarHBondContact O-N 3.26Å; L30-L33 VanDerWaalsContact O-N 3.12Å; S31-L33 PolarHBondContact O-N 3.11Å; L33-K44 HydrophobicContact CD2-CB 3.72Å; L33-K44 HydrophobicContact CD2-CD 4.29Å; L33-L45 HydrophobicContact CB-CB 4.3Å; L33-L45 HydrophobicContact CB-CD1 3.82Å; L33-F48 HydrophobicContact CD1-CB 3.67Å; L33-F48 HydrophobicContact CD1-CD1 4.31Å; L33-F48 HydrophobicContact CD1-CD2 4.01Å; L33-F48 HydrophobicContact CD1-CG 3.74Å |
| 34 | L | 86.9 | Confident | 81.7 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 6% | 0.063 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.5 | -35.1 | 175.3 | -74.1 | 167.7 | 0 | 0 | 0 | 111.9 | L30 S31 N36 L45 Q67 L68 T71 | L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.13Å; L30-L34 HydrophobicContact CG-CD1 4.02Å; L30-L34 HydrophobicContact CG-CG 4.46Å; L30-L34 WeakPolarHBondContact O-CG 3.38Å; L30-L34 PolarHBondContact O-N 3.29Å; S31-L34 PolarHBondContact O-N 3.12Å; S31-L34 VanDerWaalsContact O-N 3.11Å; L34-N36 VanDerWaalsContact C-N 3.28Å; L34-N36 PolarHBondContact O-N 2.7Å; L34-L45 HydrophobicContact CD2-CD1 4.29Å; L34-L45 HydrophobicContact CD2-CD2 4.07Å; L34-L45 HydrophobicContact CG-CD1 4.48Å; L34-Q67 HydrophobicContact CD1-CB 4.08Å; L34-Q67 HydrophobicContact CD2-CB 4.27Å; L34-L68 HydrophobicContact CD2-CD2 3.99Å; L34-T71 WeakPolarHBondContact O-CG2 3.02Å; L34-T71 PolarHBondContact O-OG1 3.44Å |
| 35 | D | 83.9 | Confident | 83.2 | Confident | 132 Ų | 132 | 66.6 Ų | 66.6 | 71% | 0.706 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.3 | -19.8 | 177.3 | -64.3 | -24.5 | 0 | 0 | 0 | 112.6 | S31 T37 | S31-D35 PolarHBondContact O-N 3.43Å; S31-D35 VanDerWaalsContact O-N 3.14Å; D35-T37 PolarHBondContact O-N 3.08Å |
| 36 | N | 82.9 | Confident | 84.3 | Confident | 65 Ų | 65 | 66 Ų | 66 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | trans | -89 | 88.5 | -178.5 | -167.6 | -22.7 | 0 | 0 | 0 | 112.2 | L34 S38 | L34-N36 VanDerWaalsContact C-N 3.28Å; L34-N36 PolarHBondContact O-N 2.7Å; N36-S38 PolarHBondContact O-N 3.14Å; N36-S38 VanDerWaalsContact OD1-CB 3.3Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.2Å; N36-S38 PolarHBondContact OD1-OG 3.1Å | ||
| 37 | T | 76.8 | Confident | 85.2 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | trans | -75.3 | 1.2 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | D35 H42 | D35-T37 PolarHBondContact O-N 3.08Å; T37-H42 PolarHBondContact O-CD2 2.96Å; T37-H42 PolarHBondContact O-NE2 2.96Å | ||
| 38 | S | 81.5 | Confident | 86 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -65.9 | 152.9 | 176.6 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | N36 Y40 G41 H42 | N36-S38 PolarHBondContact O-N 3.14Å; N36-S38 VanDerWaalsContact OD1-CB 3.3Å; N36-S38 WeakPolarHBondContact OD1-CB 3.48Å; N36-S38 PolarHBondContact OD1-N 3.2Å; N36-S38 PolarHBondContact OD1-OG 3.1Å; S38-Y40 PolarHBondContact O-N 2.88Å; S38-Y40 VanDerWaalsContact O-N 3.12Å; S38-G41 CarbonylContact O-C 3.54Å; S38-G41 WeakPolarHBondContact O-CA 3.32Å; S38-G41 PolarHBondContact O-N 3.24Å; S38-G41 PolarHBondContact OG-N 3.05Å; S38-H42 PolarHBondContact O-CD2 3.44Å; S38-H42 VanDerWaalsContact O-CD2 3.28Å; S38-H42 PolarHBondContact O-N 3.48Å |
| 39 | K | 76.9 | Confident | 86.6 | Confident | 195 Ų | 195 | 62.3 Ų | 62.3 | 85% | 0.848 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -53.9 | -35.3 | 174.6 | -173.1 | 177.8 | -179.9 | 179.1 | 0 | 112.4 | A43 | K39-A43 PolarHBondContact O-N 3.28Å; K39-A43 VanDerWaalsContact O-N 3.16Å |
| 40 | Y | 80 | Confident | 87 | Confident | 150 Ų | 150 | 62.3 Ų | 62.3 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.8 | -42.8 | 175 | 179.8 | -103.5 | 0 | 0 | 0 | 112.1 | S38 A43 K44 | S38-Y40 PolarHBondContact O-N 2.88Å; S38-Y40 VanDerWaalsContact O-N 3.12Å; Y40-A43 WeakPolarHBondContact O-CB 3.49Å; Y40-A43 PolarHBondContact O-N 2.91Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; Y40-K44 HydrophobicContact CD1-CD 4.31Å; Y40-K44 HydrophobicContact CE1-CD 3.75Å; Y40-K44 HydrophobicContact CE1-CG 4.39Å; Y40-K44 VanDerWaalsContact CE1-NZ 3.26Å; Y40-K44 PolarHBondContact O-N 2.78Å; Y40-K44 WeakPolarHBondContact OH-CE 3.42Å; Y40-K44 PolarHBondContact OH-NZ 3.41Å; Y40-K44 VanDerWaalsContact OH-NZ 3.1Å |
| 41 | G | 83 | Confident | 87.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.6 | -50.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | S38 A43 K44 L45 | S38-G41 CarbonylContact O-C 3.54Å; S38-G41 WeakPolarHBondContact O-CA 3.32Å; S38-G41 PolarHBondContact O-N 3.24Å; S38-G41 PolarHBondContact OG-N 3.05Å; G41-A43 VanDerWaalsContact C-N 3.29Å; G41-A43 PolarHBondContact O-N 2.89Å; G41-K44 WeakPolarHBondContact O-CB 3.49Å; G41-K44 PolarHBondContact O-N 2.99Å; G41-K44 VanDerWaalsContact O-N 3.13Å; G41-L45 WeakPolarHBondContact O-CB 3.41Å; G41-L45 PolarHBondContact O-N 2.82Å |
| 42 | H | 86.4 | Confident | 87.2 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.3 | -37 | 174.4 | -78.1 | -71.7 | 0 | 0 | 0 | 113.8 | T37 S38 K46 T71 | T37-H42 PolarHBondContact O-CD2 2.96Å; T37-H42 PolarHBondContact O-NE2 2.96Å; S38-H42 PolarHBondContact O-CD2 3.44Å; S38-H42 VanDerWaalsContact O-CD2 3.28Å; S38-H42 PolarHBondContact O-N 3.48Å; H42-K46 WeakPolarHBondContact O-CE 3.21Å; H42-K46 WeakPolarHBondContact O-CG 3.17Å; H42-K46 PolarHBondContact O-N 2.71Å; H42-K46 VanDerWaalsContact O-N 3.08Å; H42-T71 PolarHBondContact CE1-O 3.41Å; H42-T71 VanDerWaalsContact CE1-O 3.28Å |
| 43 | A | 89.5 | Confident | 87.1 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K39 Y40 G41 I47 | K39-A43 PolarHBondContact O-N 3.28Å; K39-A43 VanDerWaalsContact O-N 3.16Å; Y40-A43 WeakPolarHBondContact O-CB 3.49Å; Y40-A43 PolarHBondContact O-N 2.91Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; G41-A43 VanDerWaalsContact C-N 3.29Å; G41-A43 PolarHBondContact O-N 2.89Å; A43-I47 WeakPolarHBondContact O-CG1 3.47Å; A43-I47 PolarHBondContact O-N 3.41Å |
| 44 | K | 92.2 | Very high | 87 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 174.2 | -78.3 | -173.9 | 166.9 | 174.1 | 0 | 112 | L33 Y40 G41 K46 I47 F48 | L33-K44 HydrophobicContact CD2-CB 3.72Å; L33-K44 HydrophobicContact CD2-CD 4.29Å; Y40-K44 HydrophobicContact CD1-CD 4.31Å; Y40-K44 HydrophobicContact CE1-CD 3.75Å; Y40-K44 HydrophobicContact CE1-CG 4.39Å; Y40-K44 VanDerWaalsContact CE1-NZ 3.26Å; Y40-K44 PolarHBondContact O-N 2.78Å; Y40-K44 WeakPolarHBondContact OH-CE 3.42Å; Y40-K44 PolarHBondContact OH-NZ 3.41Å; Y40-K44 VanDerWaalsContact OH-NZ 3.1Å; G41-K44 WeakPolarHBondContact O-CB 3.49Å; G41-K44 PolarHBondContact O-N 2.99Å; G41-K44 VanDerWaalsContact O-N 3.13Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.21Å; K44-I47 PolarHBondContact O-N 3.03Å; K44-F48 WeakPolarHBondContact O-CB 3.47Å; K44-F48 PolarHBondContact O-N 2.96Å |
| 45 | L | 93.4 | Very high | 87 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 178.7 | -179.4 | 62.8 | 0 | 0 | 0 | 111.2 | L30 L33 L34 G41 I47 F48 I49 L68 T71 L258 | L30-L45 HydrophobicContact CD1-CD1 3.76Å; L33-L45 HydrophobicContact CB-CB 4.3Å; L33-L45 HydrophobicContact CB-CD1 3.82Å; L34-L45 HydrophobicContact CD2-CD1 4.29Å; L34-L45 HydrophobicContact CD2-CD2 4.07Å; L34-L45 HydrophobicContact CG-CD1 4.48Å; G41-L45 WeakPolarHBondContact O-CB 3.41Å; G41-L45 PolarHBondContact O-N 2.82Å; L45-I47 PolarHBondContact O-N 3.44Å; L45-F48 PolarHBondContact O-N 2.99Å; L45-I49 HydrophobicContact CD1-CG1 4.12Å; L45-I49 HydrophobicContact CG-CG1 4.43Å; L45-I49 WeakPolarHBondContact O-CG1 3.42Å; L45-I49 PolarHBondContact O-N 2.9Å; L45-L68 HydrophobicContact CD2-CD2 4.4Å; L45-T71 HydrophobicContact CD2-CG2 4Å; L45-L258 HydrophobicContact CD2-CD1 4Å; L45-L258 HydrophobicContact CD2-CD2 4.04Å; L45-L258 HydrophobicContact CG-CD1 3.76Å |
| 46 | K | 93.3 | Very high | 87.3 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 30% | 0.3 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 173.5 | -74.7 | 179.8 | -60.8 | -169.4 | 0 | 112.2 | H42 K44 F48 I49 R50 L258 E259 | H42-K46 WeakPolarHBondContact O-CE 3.21Å; H42-K46 WeakPolarHBondContact O-CG 3.17Å; H42-K46 PolarHBondContact O-N 2.71Å; H42-K46 VanDerWaalsContact O-N 3.08Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.21Å; K46-F48 VanDerWaalsContact C-N 3.28Å; K46-F48 PolarHBondContact O-N 3.06Å; K46-I49 PolarHBondContact O-N 3.02Å; K46-R50 WeakPolarHBondContact O-CG 3.31Å; K46-R50 PolarHBondContact O-N 2.64Å; K46-L258 HydrophobicContact CG-CB 4.27Å; K46-L258 HydrophobicContact CG-CD1 4.31Å; K46-E259 HydrophobicContact CD-CG 3.74Å; K46-E259 HydrophobicContact CG-CG 3.88Å |
| 47 | I | 93 | Very high | 87.5 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | -179.9 | -66.6 | 166.8 | 0 | 0 | 0 | 110.6 | A43 K44 L45 N51 | A43-I47 WeakPolarHBondContact O-CG1 3.47Å; A43-I47 PolarHBondContact O-N 3.41Å; K44-I47 PolarHBondContact O-N 3.03Å; L45-I47 PolarHBondContact O-N 3.44Å; I47-N51 PolarHBondContact O-ND2 3.5Å |
| 48 | F | 93.6 | Very high | 88 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 20% | 0.197 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62 | -54.3 | 176.5 | -171.6 | -94 | 0 | 0 | 0 | 111 | E26 V29 L30 L33 K44 L45 K46 R50 N51 L52 | E26-F48 HydrophobicContact CB-CZ 4.49Å; V29-F48 HydrophobicContact CB-CE2 4Å; V29-F48 HydrophobicContact CB-CZ 4.19Å; V29-F48 HydrophobicContact CG1-CD2 3.95Å; V29-F48 HydrophobicContact CG1-CE2 3.56Å; V29-F48 HydrophobicContact CG1-CZ 4.16Å; L30-F48 HydrophobicContact CB-CE1 3.83Å; L30-F48 HydrophobicContact CB-CZ 4.39Å; L30-F48 HydrophobicContact CD1-CD1 4.08Å; L30-F48 HydrophobicContact CD1-CE1 4.1Å; L30-F48 HydrophobicContact CG-CE1 4.38Å; L33-F48 HydrophobicContact CD1-CB 3.67Å; L33-F48 HydrophobicContact CD1-CD1 4.31Å; L33-F48 HydrophobicContact CD1-CD2 4.01Å; L33-F48 HydrophobicContact CD1-CG 3.74Å; K44-F48 WeakPolarHBondContact O-CB 3.47Å; K44-F48 PolarHBondContact O-N 2.96Å; L45-F48 PolarHBondContact O-N 2.99Å; K46-F48 VanDerWaalsContact C-N 3.28Å; K46-F48 PolarHBondContact O-N 3.06Å; F48-R50 VanDerWaalsContact C-N 3.27Å; F48-R50 PolarHBondContact O-N 3.26Å; F48-N51 CarbonylContact O-C 3.55Å; F48-N51 PolarHBondContact O-N 3.29Å; F48-L52 HydrophobicContact CD1-CD2 4.34Å; F48-L52 HydrophobicContact CE1-CD1 3.83Å; F48-L52 HydrophobicContact CE1-CD2 4.01Å; F48-L52 HydrophobicContact CE1-CG 4.36Å; F48-L52 HydrophobicContact CZ-CD1 4.21Å; F48-L52 WeakPolarHBondContact O-CB 3.38Å; F48-L52 PolarHBondContact O-N 3.28Å |
| 49 | I | 93.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.2 | -35.7 | 179.5 | -68.2 | -59.4 | 0 | 0 | 0 | 112.8 | L30 L45 K46 N51 L52 L68 D254 L258 | L30-I49 HydrophobicContact CD1-CD1 3.97Å; L45-I49 HydrophobicContact CD1-CG1 4.12Å; L45-I49 HydrophobicContact CG-CG1 4.43Å; L45-I49 WeakPolarHBondContact O-CG1 3.42Å; L45-I49 PolarHBondContact O-N 2.9Å; K46-I49 PolarHBondContact O-N 3.02Å; I49-N51 PolarHBondContact O-N 2.89Å; I49-L52 HydrophobicContact CD1-CD2 3.61Å; I49-L52 PolarHBondContact O-N 2.76Å; I49-L68 HydrophobicContact CD1-CD1 4.49Å; I49-L68 HydrophobicContact CD1-CD2 4.02Å; I49-L68 HydrophobicContact CG1-CD2 4.08Å; I49-D254 HydrophobicContact CG2-CB 3.79Å; I49-L258 HydrophobicContact CB-CD1 4.16Å; I49-L258 HydrophobicContact CG1-CD1 3.69Å; I49-L258 HydrophobicContact CG2-CD1 4.49Å |
| 50 | R | 93.6 | Very high | 88.7 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 25% | 0.253 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -29.4 | 176.3 | -71.2 | 169.7 | -175.4 | 174.6 | 2.2 | 114.1 | K46 F48 E259 F323 | K46-R50 WeakPolarHBondContact O-CG 3.31Å; K46-R50 PolarHBondContact O-N 2.64Å; F48-R50 VanDerWaalsContact C-N 3.27Å; F48-R50 PolarHBondContact O-N 3.26Å; R50-E259 IonicContact CZ-OE1 3.82Å; R50-E259 VanDerWaalsContact CZ-OE1 3.29Å; R50-E259 IonicContact CZ-OE2 2.76Å; R50-E259 IonicContact NE-OE1 3.74Å; R50-E259 PolarHBondContact NE-OE1 3.21Å; R50-E259 IonicContact NE-OE2 2.64Å; R50-E259 VanDerWaalsContact NH2-CD 3.25Å; R50-E259 IonicContact NH2-OE1 3Å; R50-E259 PolarHBondContact NH2-OE1 2.96Å; R50-E259 IonicContact NH2-OE2 2.68Å; R50-E259 PolarHBondContact NH2-OE2 3.15Å; R50-F323 HydrophobicContact CB-CD2 3.9Å; R50-F323 HydrophobicContact CB-CE2 4.06Å; R50-F323 HydrophobicContact CB-CG 4.4Å; R50-F323 HydrophobicContact CG-CD1 3.96Å; R50-F323 HydrophobicContact CG-CD2 3.62Å; R50-F323 HydrophobicContact CG-CE1 3.87Å; R50-F323 HydrophobicContact CG-CE2 3.57Å; R50-F323 HydrophobicContact CG-CG 3.85Å; R50-F323 HydrophobicContact CG-CZ 3.69Å |
| 51 | N | 90.4 | Very high | 89.2 | Confident | 121 Ų | 121 | 39.5 Ų | 39.5 | 65% | 0.647 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -101.2 | -9.4 | -178.1 | -64.1 | -49.7 | 0 | 0 | 0 | 112.3 | I47 F48 I49 N53 | I47-N51 PolarHBondContact O-ND2 3.5Å; F48-N51 CarbonylContact O-C 3.55Å; F48-N51 PolarHBondContact O-N 3.29Å; I49-N51 PolarHBondContact O-N 2.89Å; N51-N53 PolarHBondContact O-N 2.97Å |
| 52 | L | 85.8 | Confident | 89.6 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | trans | -73.4 | 107.1 | -178.8 | -172.4 | 61.6 | 0 | 0 | 0 | 109.5 | L30 F48 I49 L54 | L30-L52 HydrophobicContact CD2-CD2 4.11Å; F48-L52 HydrophobicContact CD1-CD2 4.34Å; F48-L52 HydrophobicContact CE1-CD1 3.83Å; F48-L52 HydrophobicContact CE1-CD2 4.01Å; F48-L52 HydrophobicContact CE1-CG 4.36Å; F48-L52 HydrophobicContact CZ-CD1 4.21Å; F48-L52 WeakPolarHBondContact O-CB 3.38Å; F48-L52 PolarHBondContact O-N 3.28Å; I49-L52 HydrophobicContact CD1-CD2 3.61Å; I49-L52 PolarHBondContact O-N 2.76Å; L52-L54 HydrophobicContact CD1-CD1 3.88Å; L52-L54 HydrophobicContact CD1-CD2 4.1Å; L52-L54 HydrophobicContact CD1-CG 3.68Å; L52-L54 HydrophobicContact CD2-CD1 3.54Å; L52-L54 HydrophobicContact CD2-CG 4.15Å; L52-L54 HydrophobicContact CG-CD1 3.64Å; L52-L54 HydrophobicContact CG-CG 3.65Å | ||
| 53 | N | 83.7 | Confident | 89.8 | Confident | 79 Ų | 79 | 41.5 Ų | 41.5 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | trans | -103.8 | 56.4 | -177.4 | -170 | 68 | 0 | 0 | 0 | 111.3 | N51 S316 | N51-N53 PolarHBondContact O-N 2.97Å; N53-S316 VanDerWaalsContact CB-OG 3.31Å; N53-S316 WeakPolarHBondContact CB-OG 3.29Å; N53-S316 PolarHBondContact ND2-OG 2.99Å; N53-S316 PolarHBondContact OD1-N 3.09Å; N53-S316 PolarHBondContact OD1-OG 3.2Å | ||
| 54 | L | 86.3 | Confident | 89.9 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | trans | -76.4 | 129.1 | 179.7 | -65.6 | 168.8 | 0 | 0 | 0 | 110.1 | L52 H58 I60 R61 L64 | L52-L54 HydrophobicContact CD1-CD1 3.88Å; L52-L54 HydrophobicContact CD1-CD2 4.1Å; L52-L54 HydrophobicContact CD1-CG 3.68Å; L52-L54 HydrophobicContact CD2-CD1 3.54Å; L52-L54 HydrophobicContact CD2-CG 4.15Å; L52-L54 HydrophobicContact CG-CD1 3.64Å; L52-L54 HydrophobicContact CG-CG 3.65Å; L54-H58 HydrophobicContact CB-CB 4.27Å; L54-H58 HydrophobicContact CD2-CB 4.45Å; L54-H58 VanDerWaalsContact CD2-CD2 3.41Å; L54-H58 WeakPolarHBondContact CD2-CD2 3.36Å; L54-I60 HydrophobicContact CD1-CG2 3.64Å; L54-R61 PolarHBondContact O-NH2 2.83Å; L54-L64 HydrophobicContact CD1-CD2 4.41Å | ||
| 55 | P | 87.6 | Confident | 90.1 | Very high | 39 Ų | 39 | 35.2 Ų | 35.2 | 25% | 0.253 | 18% | 0.183 | S | C | . | . | trans | -66.5 | 161.5 | 174.3 | 29.2 | -34.9 | 0 | 0 | 0 | 111 | Y22 S57 H58 R61 | Y22-P55 HydrophobicContact CD1-CG 4.19Å; Y22-P55 HydrophobicContact CE1-CG 3.44Å; Y22-P55 VanDerWaalsContact CE1-CG 3.44Å; P55-S57 PolarHBondContact O-N 3.48Å; P55-H58 HydrophobicContact CG-CB 4.35Å; P55-H58 WeakPolarHBondContact O-CB 3.45Å; P55-H58 PolarHBondContact O-N 3.46Å; P55-H58 VanDerWaalsContact O-N 3.15Å; P55-R61 PolarHBondContact O-NE 2.61Å | ||
| 56 | P | 89.7 | Confident | 90.1 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -31.6 | 176.8 | -27.9 | 36.7 | 0 | 0 | 0 | 114 | F8 L17 H58 Y157 F246 E247 | F8-P56 HydrophobicContact CZ-CB 4.32Å; F8-P56 WeakPolarHBondContact CZ-O 3.34Å; L17-P56 HydrophobicContact CD2-CB 4.43Å; P56-H58 VanDerWaalsContact C-N 3.25Å; P56-H58 PolarHBondContact O-N 3.34Å; P56-Y157 WeakPolarHBondContact O-CE1 3.5Å; P56-Y157 PolarHBondContact O-OH 3.28Å; P56-F246 HydrophobicContact CB-CD1 4.01Å; P56-F246 HydrophobicContact CB-CE1 3.87Å; P56-F246 HydrophobicContact CG-CD1 4.03Å; P56-F246 HydrophobicContact CG-CE1 4.37Å; P56-E247 HydrophobicContact CG-CB 3.88Å |
| 57 | S | 87.7 | Confident | 90.1 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 0 | -178.6 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | P7 G18 Y22 P55 | P7-S57 WeakPolarHBondContact CD-O 3.3Å; P7-S57 VanDerWaalsContact CG-O 3.27Å; P7-S57 WeakPolarHBondContact CG-O 3.36Å; G18-S57 VanDerWaalsContact O-CB 3.3Å; G18-S57 WeakPolarHBondContact O-CB 3.46Å; G18-S57 PolarHBondContact O-OG 2.99Å; Y22-S57 WeakPolarHBondContact OH-CB 3.36Å; Y22-S57 PolarHBondContact OH-O 3.13Å; Y22-S57 PolarHBondContact OH-OG 2.87Å; P55-S57 PolarHBondContact O-N 3.48Å |
| 58 | H | 87.3 | Confident | 90.2 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | trans | -68.6 | 131.3 | -176.4 | -166.7 | -69.2 | 0 | 0 | 0 | 112.9 | P7 Y22 L54 P55 P56 I60 R61 | P7-H58 WeakPolarHBondContact CB-O 3.04Å; Y22-H58 HydrophobicContact CD1-CB 4.32Å; Y22-H58 AromaticContact CD1-CD2 3.17Å; Y22-H58 WeakPolarHBondContact CD1-CD2 3.5Å; Y22-H58 AromaticContact CD1-NE2 3.93Å; Y22-H58 HydrophobicContact CE1-CB 3.99Å; Y22-H58 AromaticContact CE1-CD2 3.76Å; Y22-H58 AromaticContact CG-CD2 3.36Å; Y22-H58 AromaticContact CG-NE2 3.66Å; Y22-H58 PolarHBondContact OH-N 3.34Å; L54-H58 HydrophobicContact CB-CB 4.27Å; L54-H58 HydrophobicContact CD2-CB 4.45Å; L54-H58 VanDerWaalsContact CD2-CD2 3.41Å; L54-H58 WeakPolarHBondContact CD2-CD2 3.36Å; P55-H58 HydrophobicContact CG-CB 4.35Å; P55-H58 WeakPolarHBondContact O-CB 3.45Å; P55-H58 PolarHBondContact O-N 3.46Å; P55-H58 VanDerWaalsContact O-N 3.15Å; P56-H58 VanDerWaalsContact C-N 3.25Å; P56-H58 PolarHBondContact O-N 3.34Å; H58-I60 VanDerWaalsContact C-N 3.33Å; H58-I60 WeakPolarHBondContact ND1-CG2 3.44Å; H58-I60 PolarHBondContact ND1-N 3.43Å; H58-I60 PolarHBondContact O-N 2.88Å; H58-I60 VanDerWaalsContact O-N 3.17Å; H58-R61 HydrophobicContact CB-CG 4.25Å; H58-R61 WeakPolarHBondContact O-CB 3.34Å; H58-R61 WeakPolarHBondContact O-CG 3.34Å; H58-R61 PolarHBondContact O-N 2.84Å | ||
| 59 | P | 85.5 | Confident | 90.2 | Very high | 60 Ų | 60 | 28.8 Ų | 28.8 | 39% | 0.39 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -39.9 | -176.3 | -31.1 | 34.1 | 0 | 0 | 0 | 115.7 | Y22 R61 K62 | Y22-P59 VanDerWaalsContact CD2-CD 3.45Å; Y22-P59 HydrophobicContact CD2-CG 4.15Å; Y22-P59 HydrophobicContact CE2-CG 4.12Å; P59-R61 PolarHBondContact O-N 3.25Å; P59-K62 PolarHBondContact O-N 2.97Å |
| 60 | I | 88 | Confident | 90.2 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.5 | 178.3 | -160.6 | 171.2 | 0 | 0 | 0 | 113.9 | L27 L30 L54 H58 K62 S63 L64 | L27-I60 HydrophobicContact CD2-CB 3.84Å; L27-I60 HydrophobicContact CD2-CD1 3.36Å; L27-I60 HydrophobicContact CD2-CG1 4.05Å; L27-I60 HydrophobicContact CD2-CG2 4.28Å; L30-I60 HydrophobicContact CD2-CD1 3.33Å; L30-I60 HydrophobicContact CG-CD1 4.3Å; L54-I60 HydrophobicContact CD1-CG2 3.64Å; H58-I60 VanDerWaalsContact C-N 3.33Å; H58-I60 WeakPolarHBondContact ND1-CG2 3.44Å; H58-I60 PolarHBondContact ND1-N 3.43Å; H58-I60 PolarHBondContact O-N 2.88Å; H58-I60 VanDerWaalsContact O-N 3.17Å; I60-K62 PolarHBondContact O-N 3.38Å; I60-S63 PolarHBondContact O-N 3.23Å; I60-L64 HydrophobicContact CD1-CD1 4.5Å; I60-L64 HydrophobicContact CG1-CB 4.4Å; I60-L64 WeakPolarHBondContact O-CB 3.47Å; I60-L64 PolarHBondContact O-N 3.43Å |
| 61 | R | 90.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.7 | -28.9 | 179.9 | -64.1 | -72.9 | 179.3 | -169 | 1.1 | 112.2 | P7 L54 P55 H58 P59 S63 Y157 D254 | P7-R61 HydrophobicContact CB-CB 4.25Å; L54-R61 PolarHBondContact O-NH2 2.83Å; P55-R61 PolarHBondContact O-NE 2.61Å; H58-R61 HydrophobicContact CB-CG 4.25Å; H58-R61 WeakPolarHBondContact O-CB 3.34Å; H58-R61 WeakPolarHBondContact O-CG 3.34Å; H58-R61 PolarHBondContact O-N 2.84Å; P59-R61 PolarHBondContact O-N 3.25Å; R61-S63 VanDerWaalsContact C-N 3.25Å; R61-S63 PolarHBondContact O-N 2.93Å; R61-Y157 HydrophobicContact CB-CD1 3.43Å; R61-Y157 VanDerWaalsContact CB-CD1 3.43Å; R61-Y157 HydrophobicContact CB-CE1 3.49Å; R61-Y157 VanDerWaalsContact CB-CE1 3.49Å; R61-Y157 HydrophobicContact CB-CG 4.02Å; R61-Y157 HydrophobicContact CG-CD1 4.44Å; R61-Y157 HydrophobicContact CG-CE1 4.02Å; R61-Y157 WeakPolarHBondContact O-CB 3.15Å; R61-D254 IonicContact CZ-OD1 3.29Å; R61-D254 IonicContact CZ-OD2 3.41Å; R61-D254 VanDerWaalsContact CZ-OD2 3.29Å; R61-D254 IonicContact NH1-OD1 2.89Å; R61-D254 PolarHBondContact NH1-OD1 2.98Å; R61-D254 IonicContact NH1-OD2 2.94Å; R61-D254 PolarHBondContact NH1-OD2 3.29Å; R61-D254 IonicContact NH2-OD2 2.69Å; R61-D254 PolarHBondContact NH2-OD2 3.13Å |
| 62 | K | 89.8 | Confident | 90.2 | Very high | 59 Ų | 59 | 23.7 Ų | 23.7 | 26% | 0.257 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -53.8 | -37.6 | 174.6 | -72.2 | -169.1 | -179.3 | -165.2 | 0 | 114 | S6 P7 P59 I60 I79 Y157 | S6-K62 WeakPolarHBondContact O-CE 3.45Å; S6-K62 PolarHBondContact O-NZ 3.24Å; P7-K62 VanDerWaalsContact CA-CE 3.42Å; P7-K62 HydrophobicContact CB-CG 4.35Å; P7-K62 WeakPolarHBondContact O-CG 3.17Å; P59-K62 PolarHBondContact O-N 2.97Å; I60-K62 PolarHBondContact O-N 3.38Å; K62-I79 WeakPolarHBondContact O-CD1 3.48Å; K62-Y157 WeakPolarHBondContact CA-O 3.39Å |
| 63 | S | 90.8 | Very high | 90.4 | Very high | 33 Ų | 33 | 24.9 Ų | 24.9 | 23% | 0.231 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -119 | -14.4 | -174.1 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | I60 R61 W65 S66 Q67 | I60-S63 PolarHBondContact O-N 3.23Å; R61-S63 VanDerWaalsContact C-N 3.25Å; R61-S63 PolarHBondContact O-N 2.93Å; S63-W65 PolarHBondContact O-N 3.11Å; S63-S66 PolarHBondContact O-N 3.43Å; S63-S66 PolarHBondContact O-OG 3.2Å; S63-Q67 WeakPolarHBondContact O-CB 3.08Å; S63-Q67 VanDerWaalsContact O-CG 3.22Å; S63-Q67 WeakPolarHBondContact O-CG 3.2Å; S63-Q67 PolarHBondContact O-N 2.81Å |
| 64 | L | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.7 | -49 | -170.2 | -178.9 | 58.7 | 0 | 0 | 0 | 112.3 | L30 L54 I60 Q67 L68 | L30-L64 HydrophobicContact CD2-CD1 3.84Å; L54-L64 HydrophobicContact CD1-CD2 4.41Å; I60-L64 HydrophobicContact CD1-CD1 4.5Å; I60-L64 HydrophobicContact CG1-CB 4.4Å; I60-L64 WeakPolarHBondContact O-CB 3.47Å; I60-L64 PolarHBondContact O-N 3.43Å; L64-Q67 PolarHBondContact O-N 3.06Å; L64-L68 HydrophobicContact CD1-CD1 3.99Å; L64-L68 HydrophobicContact CD1-CD2 4.37Å; L64-L68 HydrophobicContact CD1-CG 3.98Å; L64-L68 HydrophobicContact CG-CD1 3.88Å; L64-L68 HydrophobicContact CG-CG 4.29Å; L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 WeakPolarHBondContact O-CG 3.22Å; L64-L68 PolarHBondContact O-N 3.37Å |
| 65 | W | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.6 | -39.7 | -173.8 | -70.8 | -7.2 | 0 | 0 | 0 | 113.2 | S63 L68 L69 L153 F154 Y157 M158 V250 I253 D254 L257 | S63-W65 PolarHBondContact O-N 3.11Å; W65-L68 PolarHBondContact O-N 3.13Å; W65-L69 WeakPolarHBondContact O-CG 3.35Å; W65-L69 PolarHBondContact O-N 3.01Å; W65-L69 VanDerWaalsContact O-N 3.1Å; W65-L153 HydrophobicContact CH2-CB 4Å; W65-L153 HydrophobicContact CZ3-CB 3.95Å; W65-L153 WeakPolarHBondContact CZ3-O 3.3Å; W65-F154 HydrophobicContact CD2-CD1 4.29Å; W65-F154 HydrophobicContact CD2-CE1 4.24Å; W65-F154 AromaticContact CE3-CD1 3.25Å; W65-F154 HydrophobicContact CE3-CD1 3.25Å; W65-F154 AromaticContact CE3-CE1 3.61Å; W65-F154 HydrophobicContact CE3-CE1 3.61Å; W65-F154 HydrophobicContact CE3-CG 4.28Å; W65-F154 AromaticContact CZ3-CD1 3.48Å; W65-F154 HydrophobicContact CZ3-CD1 3.48Å; W65-F154 VanDerWaalsContact CZ3-CD1 3.48Å; W65-F154 HydrophobicContact CZ3-CE1 4.04Å; W65-Y157 HydrophobicContact CE3-CD2 4.07Å; W65-Y157 AromaticContact CH2-CD2 3.83Å; W65-Y157 HydrophobicContact CH2-CD2 3.83Å; W65-Y157 AromaticContact CH2-CE2 3.65Å; W65-Y157 HydrophobicContact CH2-CE2 3.65Å; W65-Y157 HydrophobicContact CZ2-CD2 4.42Å; W65-Y157 HydrophobicContact CZ2-CE2 4.17Å; W65-Y157 AromaticContact CZ3-CD2 3.61Å; W65-Y157 HydrophobicContact CZ3-CD2 3.61Å; W65-Y157 AromaticContact CZ3-CE2 3.94Å; W65-Y157 HydrophobicContact CZ3-CE2 3.94Å; W65-M158 HydrophobicContact CB-CE 3.6Å; W65-M158 HydrophobicContact CB-SD 4.19Å; W65-M158 HydrophobicContact CD2-CE 4.29Å; W65-M158 HydrophobicContact CE3-CE 3.62Å; W65-M158 HydrophobicContact CG-CE 4.35Å; W65-V250 HydrophobicContact CZ2-CG1 4.16Å; W65-I253 HydrophobicContact CD2-CG2 3.89Å; W65-I253 VanDerWaalsContact CE2-CG2 3.48Å; W65-I253 HydrophobicContact CE3-CG2 4.26Å; W65-I253 HydrophobicContact CG-CG2 4.49Å; W65-I253 HydrophobicContact CH2-CB 4.23Å; W65-I253 HydrophobicContact CH2-CG2 3.97Å; W65-I253 HydrophobicContact CZ2-CB 3.69Å; W65-I253 HydrophobicContact CZ2-CG1 4.44Å; W65-I253 HydrophobicContact CZ2-CG2 3.53Å; W65-I253 HydrophobicContact CZ3-CG2 4.32Å; W65-D254 PolarHBondContact NE1-OD1 2.82Å; W65-L257 HydrophobicContact CB-CD1 3.44Å; W65-L257 VanDerWaalsContact CB-CD1 3.44Å; W65-L257 VanDerWaalsContact CD1-CD1 3.46Å; W65-L257 HydrophobicContact CD2-CD1 4.18Å; W65-L257 HydrophobicContact CG-CD1 3.4Å; W65-L257 VanDerWaalsContact CG-CD1 3.4Å |
| 66 | S | 93.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 173.2 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | S63 L69 S70 | S63-S66 PolarHBondContact O-N 3.43Å; S63-S66 PolarHBondContact O-OG 3.2Å; S66-L69 PolarHBondContact O-N 2.93Å; S66-S70 VanDerWaalsContact O-CB 3.31Å; S66-S70 WeakPolarHBondContact O-CB 3.44Å; S66-S70 PolarHBondContact O-N 2.64Å; S66-S70 PolarHBondContact O-OG 3.24Å |
| 67 | Q | 93.1 | Very high | 90.3 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | 175.3 | -74 | 172.2 | -15.6 | 0 | 0 | 112.5 | L34 S63 L64 L69 S70 T71 | L34-Q67 HydrophobicContact CD1-CB 4.08Å; L34-Q67 HydrophobicContact CD2-CB 4.27Å; S63-Q67 WeakPolarHBondContact O-CB 3.08Å; S63-Q67 VanDerWaalsContact O-CG 3.22Å; S63-Q67 WeakPolarHBondContact O-CG 3.2Å; S63-Q67 PolarHBondContact O-N 2.81Å; L64-Q67 PolarHBondContact O-N 3.06Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 2.96Å; Q67-S70 WeakPolarHBondContact O-CB 3.37Å; Q67-S70 PolarHBondContact O-N 3.02Å; Q67-T71 WeakPolarHBondContact O-CB 3.35Å; Q67-T71 PolarHBondContact O-N 3.49Å; Q67-T71 PolarHBondContact O-OG1 3.23Å; Q67-T71 VanDerWaalsContact O-OG1 3.11Å |
| 68 | L | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | 178.3 | -69.5 | 173.4 | 0 | 0 | 0 | 112 | L34 L45 I49 L64 W65 K72 L257 L258 | L34-L68 HydrophobicContact CD2-CD2 3.99Å; L45-L68 HydrophobicContact CD2-CD2 4.4Å; I49-L68 HydrophobicContact CD1-CD1 4.49Å; I49-L68 HydrophobicContact CD1-CD2 4.02Å; I49-L68 HydrophobicContact CG1-CD2 4.08Å; L64-L68 HydrophobicContact CD1-CD1 3.99Å; L64-L68 HydrophobicContact CD1-CD2 4.37Å; L64-L68 HydrophobicContact CD1-CG 3.98Å; L64-L68 HydrophobicContact CG-CD1 3.88Å; L64-L68 HydrophobicContact CG-CG 4.29Å; L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 WeakPolarHBondContact O-CG 3.22Å; L64-L68 PolarHBondContact O-N 3.37Å; W65-L68 PolarHBondContact O-N 3.13Å; L68-K72 VanDerWaalsContact O-CB 3.29Å; L68-K72 WeakPolarHBondContact O-CB 3.49Å; L68-K72 PolarHBondContact O-N 3.27Å; L68-L257 HydrophobicContact CB-CB 4.27Å; L68-L257 HydrophobicContact CD1-CD1 4.49Å; L68-L258 HydrophobicContact CB-CD2 4.2Å; L68-L258 HydrophobicContact CB-CG 4.41Å; L68-L258 HydrophobicContact CD2-CD1 3.78Å; L68-L258 HydrophobicContact CD2-CD2 3.9Å; L68-L258 HydrophobicContact CD2-CG 3.82Å |
| 69 | L | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -46.3 | 174.3 | -77 | 173 | 0 | 0 | 0 | 111.5 | W65 S66 Q67 T71 K72 Y73 L77 C166 L170 L257 | W65-L69 WeakPolarHBondContact O-CG 3.35Å; W65-L69 PolarHBondContact O-N 3.01Å; W65-L69 VanDerWaalsContact O-N 3.1Å; S66-L69 PolarHBondContact O-N 2.93Å; Q67-L69 VanDerWaalsContact C-N 3.32Å; Q67-L69 PolarHBondContact O-N 2.96Å; L69-T71 PolarHBondContact O-N 3.14Å; L69-K72 PolarHBondContact O-N 3.23Å; L69-Y73 HydrophobicContact CD2-CD2 3.81Å; L69-Y73 HydrophobicContact CD2-CE2 3.54Å; L69-Y73 WeakPolarHBondContact O-CD2 3.3Å; L69-Y73 PolarHBondContact O-N 3.22Å; L69-L77 HydrophobicContact CB-CD1 3.56Å; L69-L77 HydrophobicContact CD1-CD1 4.21Å; L69-C166 HydrophobicContact CD1-CB 3.61Å; L69-L170 HydrophobicContact CD2-CD2 3.8Å; L69-L170 HydrophobicContact CD2-CG 4.24Å; L69-L257 HydrophobicContact CD1-CD2 4.18Å; L69-L257 HydrophobicContact CD2-CD2 3.88Å; L69-L257 HydrophobicContact CG-CD2 3.99Å |
| 70 | S | 92.7 | Very high | 87.3 | Confident | 21 Ų | 21 | 41 Ų | 41 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.7 | -50.2 | 176 | -85.1 | 0 | 0 | 0 | 0 | 112.2 | S66 Q67 S74 I75 L77 | S66-S70 VanDerWaalsContact O-CB 3.31Å; S66-S70 WeakPolarHBondContact O-CB 3.44Å; S66-S70 PolarHBondContact O-N 2.64Å; S66-S70 PolarHBondContact O-OG 3.24Å; Q67-S70 WeakPolarHBondContact O-CB 3.37Å; Q67-S70 PolarHBondContact O-N 3.02Å; S70-S74 WeakPolarHBondContact O-CA 3.49Å; S70-S74 PolarHBondContact O-N 2.85Å; S70-I75 WeakPolarHBondContact CA-O 3.31Å; S70-I75 WeakPolarHBondContact CB-O 3.49Å; S70-I75 PolarHBondContact O-N 3.1Å; S70-I75 PolarHBondContact OG-O 2.92Å; S70-L77 WeakPolarHBondContact OG-CB 3.25Å; S70-L77 PolarHBondContact OG-N 2.98Å |
| 71 | T | 91.7 | Very high | 85.5 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 10% | 0.104 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 178 | -60.4 | 0 | 0 | 0 | 0 | 111 | L34 H42 L45 Q67 L69 | L34-T71 WeakPolarHBondContact O-CG2 3.02Å; L34-T71 PolarHBondContact O-OG1 3.44Å; H42-T71 PolarHBondContact CE1-O 3.41Å; H42-T71 VanDerWaalsContact CE1-O 3.28Å; L45-T71 HydrophobicContact CD2-CG2 4Å; Q67-T71 WeakPolarHBondContact O-CB 3.35Å; Q67-T71 PolarHBondContact O-N 3.49Å; Q67-T71 PolarHBondContact O-OG1 3.23Å; Q67-T71 VanDerWaalsContact O-OG1 3.11Å; L69-T71 PolarHBondContact O-N 3.14Å |
| 72 | K | 91.8 | Very high | 83.5 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 19% | 0.191 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.4 | -42.8 | -176.3 | 176.8 | 177.8 | 176.9 | -177.1 | 0 | 113.8 | L68 L69 L257 L258 | L68-K72 VanDerWaalsContact O-CB 3.29Å; L68-K72 WeakPolarHBondContact O-CB 3.49Å; L68-K72 PolarHBondContact O-N 3.27Å; L69-K72 PolarHBondContact O-N 3.23Å; K72-L257 WeakPolarHBondContact CD-O 3.3Å; K72-L257 WeakPolarHBondContact CE-O 3.3Å; K72-L257 PolarHBondContact NZ-O 3.23Å; K72-L258 HydrophobicContact CB-CD2 4.27Å; K72-L258 WeakPolarHBondContact CD-O 3.38Å; K72-L258 WeakPolarHBondContact CE-O 3.46Å; K72-L258 PolarHBondContact NZ-O 3.22Å |
| 73 | Y | 90.9 | Very high | 81.5 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -104.4 | 2.6 | -172 | -62.3 | -65.8 | 0 | 0 | 0 | 112.8 | L69 I75 T169 L170 Q173 | L69-Y73 HydrophobicContact CD2-CD2 3.81Å; L69-Y73 HydrophobicContact CD2-CE2 3.54Å; L69-Y73 WeakPolarHBondContact O-CD2 3.3Å; L69-Y73 PolarHBondContact O-N 3.22Å; Y73-I75 VanDerWaalsContact C-N 3.29Å; Y73-I75 PolarHBondContact O-N 3.36Å; Y73-T169 HydrophobicContact CD2-CG2 3.71Å; Y73-T169 HydrophobicContact CE2-CG2 4.24Å; Y73-T169 HydrophobicContact CG-CG2 4.18Å; Y73-L170 HydrophobicContact CE2-CD2 4.43Å; Y73-Q173 VanDerWaalsContact CD1-CD 3.49Å; Y73-Q173 HydrophobicContact CD1-CG 3.9Å; Y73-Q173 HydrophobicContact CE1-CB 4.17Å; Y73-Q173 HydrophobicContact CE1-CG 3.41Å; Y73-Q173 VanDerWaalsContact CE1-CG 3.41Å; Y73-Q173 VanDerWaalsContact CE1-OE1 3.23Å; Y73-Q173 HydrophobicContact CE2-CG 4.44Å |
| 74 | S | 88.4 | Confident | 79.4 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 42 | -179 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | S70 | S70-S74 WeakPolarHBondContact O-CA 3.49Å; S70-S74 PolarHBondContact O-N 2.85Å |
| 75 | I | 86.9 | Confident | 77 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 30% | 0.297 | 32% | 0.32 | S | S | . | . | trans | -117 | 152.7 | 179.8 | 57.5 | 170.6 | 0 | 0 | 0 | 111.2 | S70 Y73 L77 T169 | S70-I75 WeakPolarHBondContact CA-O 3.31Å; S70-I75 WeakPolarHBondContact CB-O 3.49Å; S70-I75 PolarHBondContact O-N 3.1Å; S70-I75 PolarHBondContact OG-O 2.92Å; Y73-I75 VanDerWaalsContact C-N 3.29Å; Y73-I75 PolarHBondContact O-N 3.36Å; I75-L77 HydrophobicContact CD1-CD1 3.57Å; I75-L77 HydrophobicContact CD1-CD2 4.11Å; I75-L77 HydrophobicContact CD1-CG 3.73Å; I75-L77 HydrophobicContact CG1-CD1 4.1Å; I75-L77 HydrophobicContact CG1-CG 4.04Å; I75-L77 PolarHBondContact O-N 3.1Å; I75-T169 HydrophobicContact CD1-CG2 3.33Å; I75-T169 WeakPolarHBondContact CD1-OG1 3.44Å | ||
| 76 | N | 85.2 | Confident | 74.4 | Confident | 126 Ų | 126 | 61.3 Ų | 61.3 | 67% | 0.674 | 34% | 0.335 | S | S | * | . | trans | -90.7 | 107.3 | 175.6 | -168.9 | -13.6 | 0 | 0 | 0 | 111.2 | Q78 | N76-Q78 VanDerWaalsContact OD1-CB 3.31Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.41Å; N76-Q78 PolarHBondContact OD1-N 3.23Å | ||
| 77 | L | 83.9 | Confident | 72 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | trans | -115.6 | 22.7 | 173.3 | -62.9 | 170.6 | 0 | 0 | 0 | 111.4 | L69 S70 I75 I79 K165 | L69-L77 HydrophobicContact CB-CD1 3.56Å; L69-L77 HydrophobicContact CD1-CD1 4.21Å; S70-L77 WeakPolarHBondContact OG-CB 3.25Å; S70-L77 PolarHBondContact OG-N 2.98Å; I75-L77 HydrophobicContact CD1-CD1 3.57Å; I75-L77 HydrophobicContact CD1-CD2 4.11Å; I75-L77 HydrophobicContact CD1-CG 3.73Å; I75-L77 HydrophobicContact CG1-CD1 4.1Å; I75-L77 HydrophobicContact CG1-CG 4.04Å; I75-L77 PolarHBondContact O-N 3.1Å; L77-I79 PolarHBondContact O-N 3.15Å; L77-K165 HydrophobicContact CD2-CB 3.6Å; L77-K165 HydrophobicContact CD2-CD 4.38Å | ||
| 78 | Q | 71.1 | Confident | 69.5 | Low | 163 Ų | 163 | 67 Ų | 67 | 76% | 0.762 | 37% | 0.368 | S | S | * | . | trans | -59.2 | 135.2 | -177.3 | -72.7 | -166.1 | -11.8 | 0 | 0 | 111.3 | N76 | N76-Q78 VanDerWaalsContact OD1-CB 3.31Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.41Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.41Å; N76-Q78 PolarHBondContact OD1-N 3.23Å | ||
| 79 | I | 66.5 | Low | 67 | Low | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.185 | 38% | 0.379 | C | S | . | . | trans | -88.5 | 107.5 | 176.9 | -50.4 | 179.8 | 0 | 0 | 0 | 105.5 | K62 L77 S83 I84 M158 P159 V162 | K62-I79 WeakPolarHBondContact O-CD1 3.48Å; L77-I79 PolarHBondContact O-N 3.15Å; I79-S83 WeakPolarHBondContact CG2-OG 3.47Å; I79-I84 HydrophobicContact CG2-CD1 4.48Å; I79-I84 HydrophobicContact CG2-CG1 4.01Å; I79-M158 HydrophobicContact CD1-CG 4.13Å; I79-P159 HydrophobicContact CG2-CG 4.21Å; I79-V162 HydrophobicContact CD1-CG1 4.46Å; I79-V162 HydrophobicContact CG1-CG1 4.18Å; I79-V162 HydrophobicContact CG1-CG2 4.09Å | ||
| 80 | S | 59.3 | Low | 64.4 | Low | 62 Ų | 62 | 71.8 Ų | 71.8 | 43% | 0.434 | 40% | 0.397 | S | S | . | . | trans | -73.6 | 143.7 | 173.9 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | S82 S83 | S80-S82 PolarHBondContact O-N 3.16Å; S80-S82 VanDerWaalsContact O-N 3.13Å; S80-S82 PolarHBondContact OG-OG 2.94Å; S80-S83 PolarHBondContact N-OG 2.94Å; S80-S83 WeakPolarHBondContact O-CA 3.32Å; S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.71Å; S80-S83 PolarHBondContact O-OG 3.22Å | ||
| 81 | D | 51.2 | Low | 61.9 | Low | 136 Ų | 136 | 77.3 Ų | 77.3 | 73% | 0.727 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.7 | 179.8 | -75 | -32.9 | 0 | 0 | 0 | 112.8 | S83 I84 | D81-S83 PolarHBondContact O-N 2.94Å; D81-I84 PolarHBondContact O-N 3.4Å; D81-I84 WeakPolarHBondContact OD1-CD1 3.41Å |
| 82 | S | 48.2 | Very low | 59.3 | Low | 90 Ų | 90 | 81.2 Ų | 81.2 | 63% | 0.629 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.1 | -31.8 | 171.2 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | S80 S86 | S80-S82 PolarHBondContact O-N 3.16Å; S80-S82 VanDerWaalsContact O-N 3.13Å; S80-S82 PolarHBondContact OG-OG 2.94Å; S82-S86 WeakPolarHBondContact O-CB 3.5Å; S82-S86 PolarHBondContact O-N 3.29Å; S82-S86 PolarHBondContact O-OG 2.69Å; S82-S86 VanDerWaalsContact O-OG 3.09Å |
| 83 | S | 47.9 | Very low | 56.9 | Low | 14 Ų | 14 | 84.2 Ų | 84.2 | 10% | 0.098 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -79.8 | -12.8 | -178.4 | 72.1 | 0 | 0 | 0 | 0 | 114.8 | I79 S80 D81 S86 | I79-S83 WeakPolarHBondContact CG2-OG 3.47Å; S80-S83 PolarHBondContact N-OG 2.94Å; S80-S83 WeakPolarHBondContact O-CA 3.32Å; S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.71Å; S80-S83 PolarHBondContact O-OG 3.22Å; D81-S83 PolarHBondContact O-N 2.94Å; S83-S86 WeakPolarHBondContact CA-OG 3.31Å |
| 84 | I | 48 | Very low | 54.8 | Low | 76 Ų | 76 | 83.9 Ų | 83.9 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -79 | -29.6 | -178.4 | -60.2 | 177 | 0 | 0 | 0 | 111.1 | I79 D81 | I79-I84 HydrophobicContact CG2-CD1 4.48Å; I79-I84 HydrophobicContact CG2-CG1 4.01Å; D81-I84 PolarHBondContact O-N 3.4Å; D81-I84 WeakPolarHBondContact OD1-CD1 3.41Å |
| 85 | H | 42.1 | Very low | 52.8 | Low | 177 Ų | 177 | 82.2 Ų | 82.2 | 82% | 0.819 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -105.5 | -20.2 | 176.2 | -71.3 | -60.5 | 0 | 0 | 0 | 113.3 | N87 | H85-N87 PolarHBondContact O-N 3.4Å |
| 86 | S | 40.1 | Very low | 50.8 | Low | 46 Ų | 46 | 86.5 Ų | 86.5 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | trans | -80.4 | 74 | 168 | 77.9 | 0 | 0 | 0 | 0 | 109.7 | S82 S83 D88 | S82-S86 WeakPolarHBondContact O-CB 3.5Å; S82-S86 PolarHBondContact O-N 3.29Å; S82-S86 PolarHBondContact O-OG 2.69Å; S82-S86 VanDerWaalsContact O-OG 3.09Å; S83-S86 WeakPolarHBondContact CA-OG 3.31Å; S86-D88 PolarHBondContact O-N 2.74Å | ||
| 87 | N | 44.2 | Very low | 49.1 | Very low | 49 Ų | 49 | 81.4 Ų | 81.4 | 26% | 0.262 | 46% | 0.456 | S | S | . | . | trans | -68.8 | 44.1 | 140.5 | -87.9 | -17.4 | 0 | 0 | 0 | 109.2 | D10 H85 I89 | D10-N87 VanDerWaalsContact CG-ND2 3.25Å; D10-N87 PolarHBondContact OD1-ND2 3.35Å; D10-N87 PolarHBondContact OD2-ND2 3.02Å; H85-N87 PolarHBondContact O-N 3.4Å; N87-I89 HydrophobicContact CB-CD1 4.46Å; N87-I89 CarbonylContact O-C 3.55Å; N87-I89 PolarHBondContact O-N 3.07Å | ||
| 88 | D | 40.3 | Very low | 46.9 | Very low | 143 Ų | 143 | 84.1 Ų | 84.1 | 77% | 0.765 | 49% | 0.486 | S | S | * | . | trans | -67.5 | 46.2 | 157.3 | -76.8 | -25.4 | 0 | 0 | 0 | 108.9 | S86 S90 | S86-D88 PolarHBondContact O-N 2.74Å; D88-S90 PolarHBondContact O-N 3.39Å; D88-S90 VanDerWaalsContact O-N 3.11Å | ||
| 89 | I | 43.1 | Very low | 45.2 | Very low | 44 Ų | 44 | 79.9 Ų | 79.9 | 23% | 0.226 | 49% | 0.486 | C | S | . | . | -61.3 | 88.2 | 126.7 | -52 | 153.5 | 0 | 0 | 0 | 102.8 | N87 T91 V94 I160 | N87-I89 HydrophobicContact CB-CD1 4.46Å; N87-I89 CarbonylContact O-C 3.55Å; N87-I89 PolarHBondContact O-N 3.07Å; I89-T91 PolarHBondContact O-N 3.14Å; I89-V94 HydrophobicContact CG2-CB 4.45Å; I89-V94 HydrophobicContact CG2-CG2 3.59Å; I89-I160 HydrophobicContact CD1-CD1 3.2Å; I89-I160 HydrophobicContact CD1-CG1 4.29Å; I89-I160 HydrophobicContact CG1-CD1 3.91Å | |||
| 90 | S | 40.1 | Very low | 44.1 | Very low | 56 Ų | 56 | 81.7 Ų | 81.7 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | trans | -42.4 | 121.5 | 148.9 | 52.4 | 0 | 0 | 0 | 0 | 104.6 | D88 T92 N93 | D88-S90 PolarHBondContact O-N 3.39Å; D88-S90 VanDerWaalsContact O-N 3.11Å; S90-T92 VanDerWaalsContact CB-OG1 3.22Å; S90-T92 WeakPolarHBondContact CB-OG1 3.39Å; S90-T92 PolarHBondContact O-N 3.21Å; S90-T92 PolarHBondContact O-OG1 3.38Å; S90-T92 PolarHBondContact OG-OG1 3.34Å; S90-N93 PolarHBondContact O-N 3.49Å | ||
| 91 | T | 39 | Very low | 43.5 | Very low | 136 Ų | 136 | 79.6 Ų | 79.6 | 83% | 0.834 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -4.6 | 176.8 | 31.4 | 0 | 0 | 0 | 0 | 112.8 | I89 | I89-T91 PolarHBondContact O-N 3.14Š|
| 92 | T | 38 | Very low | 43.6 | Very low | 100 Ų | 100 | 77 Ų | 77 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.1 | 169.4 | 64.7 | 0 | 0 | 0 | 0 | 115.7 | S90 | S90-T92 VanDerWaalsContact CB-OG1 3.22Å; S90-T92 WeakPolarHBondContact CB-OG1 3.39Å; S90-T92 PolarHBondContact O-N 3.21Å; S90-T92 PolarHBondContact O-OG1 3.38Å; S90-T92 PolarHBondContact OG-OG1 3.34Å |
| 93 | N | 41.2 | Very low | 44.3 | Very low | 106 Ų | 106 | 73 Ų | 73 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -101.5 | -16.5 | -175.7 | -76.4 | 6.6 | 0 | 0 | 0 | 115.1 | S90 T95 T129 | S90-N93 PolarHBondContact O-N 3.49Å; N93-T95 PolarHBondContact O-N 2.92Å; N93-T129 WeakPolarHBondContact O-CG2 3.48Å |
| 94 | V | 45.7 | Very low | 45.3 | Very low | 31 Ų | 31 | 72.6 Ų | 72.6 | 19% | 0.188 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -76.1 | 85.2 | 158.8 | 175 | 0 | 0 | 0 | 0 | 104.7 | I89 N96 N125 | I89-V94 HydrophobicContact CG2-CB 4.45Å; I89-V94 HydrophobicContact CG2-CG2 3.59Å; V94-N96 PolarHBondContact O-N 3.1Å; V94-N96 VanDerWaalsContact O-N 3.13Å; V94-N125 HydrophobicContact CG1-CB 4.42Å |
| 95 | T | 47.2 | Very low | 46.4 | Very low | 69 Ų | 69 | 69 Ų | 69 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | trans | -50.8 | 127.5 | 167.4 | 49.4 | 0 | 0 | 0 | 0 | 105.8 | N93 I97 | N93-T95 PolarHBondContact O-N 2.92Å; T95-I97 WeakPolarHBondContact O-CG1 3.4Å; T95-I97 PolarHBondContact O-N 2.94Å | ||
| 96 | N | 45.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 63.1 Ų | 63.1 | 79% | 0.786 | 39% | 0.394 | S | S | * | . | trans | -69.2 | 78.6 | 176.1 | -134.3 | -13.2 | 0 | 0 | 0 | 106.1 | V94 G98 G99 | V94-N96 PolarHBondContact O-N 3.1Å; V94-N96 VanDerWaalsContact O-N 3.13Å; N96-G98 PolarHBondContact O-N 3.46Å; N96-G99 PolarHBondContact O-N 2.88Å; N96-G99 VanDerWaalsContact O-N 3.13Å | ||
| 97 | I | 48.7 | Very low | 50.1 | Low | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -20.6 | -175 | -74.7 | 165.4 | 0 | 0 | 0 | 110.4 | T95 G99 A104 R128 | T95-I97 WeakPolarHBondContact O-CG1 3.4Å; T95-I97 PolarHBondContact O-N 2.94Å; I97-G99 PolarHBondContact O-N 3.11Å; I97-G99 VanDerWaalsContact O-N 3.09Å; I97-A104 HydrophobicContact CB-CB 4.47Å; I97-A104 HydrophobicContact CD1-CB 4.29Å; I97-A104 HydrophobicContact CG1-CB 4.1Å; I97-A104 HydrophobicContact CG2-CB 3.62Å; I97-R128 HydrophobicContact CD1-CB 4.09Å |
| 98 | G | 37.5 | Very low | 51.9 | Low | 67 Ų | 67 | 59.2 Ų | 59.2 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | N96 | N96-G98 PolarHBondContact O-N 3.46Š|
| 99 | G | 36.9 | Very low | 54 | Low | 73 Ų | 73 | 52.4 Ų | 52.4 | 75% | 0.753 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -42.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | N96 I97 | N96-G99 PolarHBondContact O-N 2.88Å; N96-G99 VanDerWaalsContact O-N 3.13Å; I97-G99 PolarHBondContact O-N 3.11Å; I97-G99 VanDerWaalsContact O-N 3.09Å |
| 100 | S | 41.6 | Very low | 56 | Low | 75 Ų | 75 | 50.3 Ų | 50.3 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -18 | -161.8 | -151.1 | 0 | 0 | 0 | 0 | 115.3 | N387 | S100-N387 PolarHBondContact OG-ND2 2.96Å; S100-N387 PolarHBondContact OG-OD1 3.39Å |
| 101 | S | 48.5 | Very low | 58 | Low | 18 Ų | 18 | 51.8 Ų | 51.8 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | trans | -152.3 | 116.3 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 112 | L103 A104 F365 | S101-L103 PolarHBondContact O-N 3.15Å; S101-L103 VanDerWaalsContact O-N 3.09Å; S101-L103 PolarHBondContact OG-N 2.93Å; S101-A104 PolarHBondContact O-N 3.28Å; S101-A104 PolarHBondContact OG-N 3.11Å; S101-F365 VanDerWaalsContact CB-CD2 3.44Å | ||
| 102 | L | 53.3 | Low | 60 | Low | 81 Ų | 81 | 48.6 Ų | 48.6 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -4.5 | 174.7 | -68.7 | 172.1 | 0 | 0 | 0 | 113.5 | K359 K362 | L102-K359 HydrophobicContact CB-CD 4.11Å; L102-K359 HydrophobicContact CD1-CD 4.09Å; L102-K362 HydrophobicContact CD1-CD 4.04Å; L102-K362 VanDerWaalsContact CD1-NZ 3.27Å |
| 103 | L | 62.8 | Low | 62.5 | Low | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -1.2 | -175.3 | -66.3 | 176.7 | 0 | 0 | 0 | 113.4 | S101 G105 Y106 K359 K362 T364 | S101-L103 PolarHBondContact O-N 3.15Å; S101-L103 VanDerWaalsContact O-N 3.09Å; S101-L103 PolarHBondContact OG-N 2.93Å; L103-G105 PolarHBondContact O-N 2.75Å; L103-Y106 WeakPolarHBondContact O-CB 3.28Å; L103-Y106 PolarHBondContact O-N 2.74Å; L103-K359 HydrophobicContact CD2-CG 4.21Å; L103-K362 HydrophobicContact CD1-CB 4.27Å; L103-K362 WeakPolarHBondContact CD1-O 3.34Å; L103-T364 HydrophobicContact CB-CG2 4.49Å; L103-T364 HydrophobicContact CD1-CG2 4.42Å |
| 104 | A | 67.9 | Low | 64.8 | Low | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 131.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | I97 S101 Y106 E107 | I97-A104 HydrophobicContact CB-CB 4.47Å; I97-A104 HydrophobicContact CD1-CB 4.29Å; I97-A104 HydrophobicContact CG1-CB 4.1Å; I97-A104 HydrophobicContact CG2-CB 3.62Å; S101-A104 PolarHBondContact O-N 3.28Å; S101-A104 PolarHBondContact OG-N 3.11Å; A104-Y106 VanDerWaalsContact C-N 3.33Å; A104-E107 VanDerWaalsContact CA-OE1 3.3Å; A104-E107 WeakPolarHBondContact CA-OE1 3.29Å |
| 105 | G | 71.8 | Confident | 67 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -5.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L103 E107 R128 L131 W148 | L103-G105 PolarHBondContact O-N 2.75Å; G105-E107 WeakPolarHBondContact CA-OE2 3.31Å; G105-E107 PolarHBondContact N-OE1 2.95Å; G105-E107 PolarHBondContact N-OE2 2.95Å; G105-R128 WeakPolarHBondContact CA-O 3.47Å; G105-L131 WeakPolarHBondContact O-CB 3.47Å; G105-L131 WeakPolarHBondContact O-CD1 3.5Å; G105-W148 WeakPolarHBondContact O-CZ3 3.46Å |
| 106 | Y | 80.3 | Confident | 69.2 | Low | 55 Ų | 55 | 39.5 Ų | 39.5 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | trans | -103.3 | 2.9 | 177.4 | -66.9 | -87.8 | 0 | 0 | 0 | 113.5 | L103 A104 F108 S109 L114 R128 W148 C357 | L103-Y106 WeakPolarHBondContact O-CB 3.28Å; L103-Y106 PolarHBondContact O-N 2.74Å; A104-Y106 VanDerWaalsContact C-N 3.33Å; Y106-F108 VanDerWaalsContact C-N 3.35Å; Y106-F108 PolarHBondContact O-N 3.12Å; Y106-S109 WeakPolarHBondContact O-CB 3.5Å; Y106-S109 PolarHBondContact O-N 3.28Å; Y106-L114 HydrophobicContact CD1-CD1 4.09Å; Y106-L114 HydrophobicContact CD1-CD2 3.94Å; Y106-L114 HydrophobicContact CE1-CD1 3.95Å; Y106-L114 HydrophobicContact CE1-CD2 4.18Å; Y106-R128 VanDerWaalsContact CE2-CD 3.41Å; Y106-R128 HydrophobicContact CE2-CG 4.23Å; Y106-W148 HydrophobicContact CD1-CE3 4.27Å; Y106-W148 AromaticContact CD1-CH2 3.61Å; Y106-W148 HydrophobicContact CD1-CH2 3.61Å; Y106-W148 AromaticContact CD1-CZ3 3.38Å; Y106-W148 HydrophobicContact CD1-CZ3 3.38Å; Y106-W148 AromaticContact CE1-CH2 3.1Å; Y106-W148 HydrophobicContact CE1-CH2 3.1Å; Y106-W148 AromaticContact CE1-CZ2 3.97Å; Y106-W148 HydrophobicContact CE1-CZ2 3.97Å; Y106-W148 AromaticContact CE1-CZ3 3.45Å; Y106-W148 HydrophobicContact CE1-CZ3 3.45Å; Y106-W148 VanDerWaalsContact CE1-CZ3 3.45Å; Y106-W148 HydrophobicContact CE2-CH2 4.41Å; Y106-W148 HydrophobicContact CG-CH2 4.41Å; Y106-W148 AromaticContact CG-CZ3 3.99Å; Y106-W148 HydrophobicContact CG-CZ3 3.99Å; Y106-W148 AromaticContact CZ-CH2 3.57Å; Y106-C357 HydrophobicContact CD1-CB 4.44Å; Y106-C357 HydrophobicContact CG-CB 4.38Å; Y106-C357 WeakPolarHBondContact O-CB 3.01Å | ||
| 107 | E | 79.1 | Confident | 71.4 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -41.5 | -165.6 | -57.4 | 89.4 | 167.4 | 0 | 0 | 113 | A104 G105 S109 H132 F135 T364 | A104-E107 VanDerWaalsContact CA-OE1 3.3Å; A104-E107 WeakPolarHBondContact CA-OE1 3.29Å; G105-E107 WeakPolarHBondContact CA-OE2 3.31Å; G105-E107 PolarHBondContact N-OE1 2.95Å; G105-E107 PolarHBondContact N-OE2 2.95Å; E107-S109 VanDerWaalsContact C-N 3.31Å; E107-H132 IonicContact OE1-CE1 2.83Å; E107-H132 IonicContact OE1-CG 3.48Å; E107-H132 IonicContact OE1-ND1 2.82Å; E107-H132 PolarHBondContact OE1-ND1 3.36Å; E107-F135 HydrophobicContact CB-CB 4.2Å; E107-F135 HydrophobicContact CB-CD1 4.12Å; E107-F135 HydrophobicContact CB-CD2 3.44Å; E107-F135 VanDerWaalsContact CB-CD2 3.44Å; E107-F135 HydrophobicContact CB-CE1 4.39Å; E107-F135 HydrophobicContact CB-CE2 3.77Å; E107-F135 HydrophobicContact CB-CG 3.63Å; E107-F135 HydrophobicContact CB-CZ 4.24Å; E107-F135 HydrophobicContact CG-CB 4.28Å; E107-F135 HydrophobicContact CG-CD1 3.58Å; E107-F135 HydrophobicContact CG-CD2 3.88Å; E107-F135 HydrophobicContact CG-CE1 3.8Å; E107-F135 HydrophobicContact CG-CE2 4.09Å; E107-F135 HydrophobicContact CG-CG 3.62Å; E107-F135 HydrophobicContact CG-CZ 4.06Å; E107-T364 HydrophobicContact CB-CG2 4.27Å; E107-T364 HydrophobicContact CG-CG2 4.21Å |
| 108 | F | 82.6 | Confident | 73.6 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -7.4 | 178.9 | -52.9 | -52 | 0 | 0 | 0 | 114.3 | Y106 L131 I134 F135 L141 A144 L147 | Y106-F108 VanDerWaalsContact C-N 3.35Å; Y106-F108 PolarHBondContact O-N 3.12Å; F108-L131 WeakPolarHBondContact CE2-O 3.25Å; F108-I134 HydrophobicContact CE2-CB 4.04Å; F108-I134 HydrophobicContact CE2-CG2 3.75Å; F108-I134 HydrophobicContact CZ-CG2 3.95Å; F108-F135 HydrophobicContact CD1-CD2 4.3Å; F108-F135 HydrophobicContact CE1-CB 4.04Å; F108-F135 AromaticContact CE1-CD2 3.64Å; F108-F135 HydrophobicContact CE1-CD2 3.64Å; F108-F135 HydrophobicContact CE1-CG 4.33Å; F108-F135 HydrophobicContact CE2-CB 3.74Å; F108-F135 HydrophobicContact CZ-CB 3.48Å; F108-F135 VanDerWaalsContact CZ-CB 3.48Å; F108-F135 AromaticContact CZ-CD2 3.98Å; F108-F135 HydrophobicContact CZ-CD2 3.98Å; F108-F135 HydrophobicContact CZ-CG 4.23Å; F108-L141 HydrophobicContact CD1-CB 4.03Å; F108-L141 WeakPolarHBondContact CD1-O 3.38Å; F108-L141 HydrophobicContact CE1-CB 3.37Å; F108-L141 HydrophobicContact CE1-CD1 4.23Å; F108-L141 HydrophobicContact CE1-CG 4.45Å; F108-L141 VanDerWaalsContact CE1-O 3.23Å; F108-L141 WeakPolarHBondContact CE1-O 3.31Å; F108-L141 HydrophobicContact CZ-CB 3.99Å; F108-L141 HydrophobicContact CZ-CD1 4.02Å; F108-A144 HydrophobicContact CB-CB 4.19Å; F108-A144 CarbonylContact O-C 3.56Å; F108-A144 VanDerWaalsContact O-C 3.26Å; F108-A144 PolarHBondContact O-N 3.22Å; F108-L147 HydrophobicContact CB-CD1 4.29Å; F108-L147 HydrophobicContact CD2-CD1 3.67Å; F108-L147 HydrophobicContact CE2-CD1 4.08Å; F108-L147 HydrophobicContact CG-CD1 4.06Å |
| 109 | S | 83.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -95.4 | 150.4 | -156.5 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | Y106 E107 W148 C357 | Y106-S109 WeakPolarHBondContact O-CB 3.5Å; Y106-S109 PolarHBondContact O-N 3.28Å; E107-S109 VanDerWaalsContact C-N 3.31Å; S109-W148 VanDerWaalsContact OG-CE3 3.24Å; S109-C357 PolarHBondContact O-N 3.16Å; S109-C357 VanDerWaalsContact O-N 3.13Å; S109-C357 PolarHBondContact O-SG 3.34Å; S109-C357 VanDerWaalsContact O-SG 3.35Å | ||
| 110 | N | 85.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -94.7 | 132.2 | 168.7 | -177 | -49.9 | 0 | 0 | 0 | 109.1 | M112 L113 L114 Y143 P145 L353 Q355 | N110-M112 PolarHBondContact O-N 3.1Å; N110-M112 VanDerWaalsContact O-N 3.15Å; N110-M112 WeakPolarHBondContact OD1-CA 3.42Å; N110-M112 VanDerWaalsContact OD1-CB 3.24Å; N110-M112 WeakPolarHBondContact OD1-CB 3.15Å; N110-M112 WeakPolarHBondContact OD1-CG 3.25Å; N110-M112 PolarHBondContact OD1-N 3.46Å; N110-L113 HydrophobicContact CB-CB 4.22Å; N110-L113 CarbonylContact O-C 3.58Å; N110-L113 WeakPolarHBondContact O-CA 3.47Å; N110-L113 PolarHBondContact O-N 3.08Å; N110-L114 WeakPolarHBondContact O-CG 3.13Å; N110-Y143 HydrophobicContact CB-CE2 4.37Å; N110-Y143 WeakPolarHBondContact CB-OH 3.36Å; N110-Y143 PolarHBondContact ND2-OH 3.08Å; N110-P145 HydrophobicContact CB-CB 3.74Å; N110-L353 PolarHBondContact ND2-O 3Å; N110-Q355 CarbonylContact C-O 3.59Å; N110-Q355 VanDerWaalsContact CA-O 3.25Å; N110-Q355 WeakPolarHBondContact CA-O 3.35Å; N110-Q355 PolarHBondContact ND2-N 3.4Å |
| 111 | Q | 82 | Confident | 80.9 | Confident | 87 Ų | 87 | 33.3 Ų | 33.3 | 41% | 0.407 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32.4 | 179.2 | -68.3 | 179.6 | -7.6 | 0 | 0 | 112.9 | L113 Q355 P356 C357 N358 | Q111-L113 VanDerWaalsContact C-N 3.28Å; Q111-L113 PolarHBondContact O-N 2.97Å; Q111-Q355 HydrophobicContact CB-CB 4.24Å; Q111-Q355 PolarHBondContact N-O 3.31Å; Q111-P356 PolarHBondContact NE2-O 3.13Å; Q111-C357 HydrophobicContact CG-CB 4.32Å; Q111-N358 PolarHBondContact NE2-O 2.93Å |
| 112 | M | 82.3 | Confident | 82.8 | Confident | 69 Ų | 69 | 36.4 Ų | 36.4 | 34% | 0.34 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.7 | 176.4 | -55.6 | -167.9 | 71.4 | 0 | 0 | 113.5 | N110 L239 Q355 | N110-M112 PolarHBondContact O-N 3.1Å; N110-M112 VanDerWaalsContact O-N 3.15Å; N110-M112 WeakPolarHBondContact OD1-CA 3.42Å; N110-M112 VanDerWaalsContact OD1-CB 3.24Å; N110-M112 WeakPolarHBondContact OD1-CB 3.15Å; N110-M112 WeakPolarHBondContact OD1-CG 3.25Å; N110-M112 PolarHBondContact OD1-N 3.46Å; M112-L239 HydrophobicContact CB-CD1 4.44Å; M112-L239 HydrophobicContact CB-CD2 4.38Å; M112-L239 HydrophobicContact SD-CD1 4.06Å; M112-Q355 VanDerWaalsContact CG-OE1 3.27Å |
| 113 | L | 89.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -123.5 | 58.5 | -173.6 | -169.2 | 57.2 | 0 | 0 | 0 | 112.2 | N110 Q111 P115 P145 P149 W184 L239 W242 | N110-L113 HydrophobicContact CB-CB 4.22Å; N110-L113 CarbonylContact O-C 3.58Å; N110-L113 WeakPolarHBondContact O-CA 3.47Å; N110-L113 PolarHBondContact O-N 3.08Å; Q111-L113 VanDerWaalsContact C-N 3.28Å; Q111-L113 PolarHBondContact O-N 2.97Å; L113-P115 HydrophobicContact CD1-CG 4.43Å; L113-P115 WeakPolarHBondContact O-CD 3.36Å; L113-P145 HydrophobicContact CD2-CB 4.21Å; L113-P145 WeakPolarHBondContact CD2-O 3.41Å; L113-P149 HydrophobicContact CD1-CG 4.26Å; L113-P149 HydrophobicContact CD2-CG 4.17Å; L113-P149 HydrophobicContact CG-CG 4.12Å; L113-W184 HydrophobicContact CD2-CH2 4.25Å; L113-L239 HydrophobicContact CB-CD2 3.99Å; L113-L239 HydrophobicContact CD2-CD2 4.34Å; L113-W242 HydrophobicContact CD1-CB 3.44Å; L113-W242 VanDerWaalsContact CD1-CB 3.44Å; L113-W242 HydrophobicContact CD1-CD2 4.43Å; L113-W242 HydrophobicContact CD1-CG 3.44Å; L113-W242 VanDerWaalsContact CD1-CG 3.44Å; L113-W242 HydrophobicContact CD2-CG 4.42Å | ||
| 114 | L | 89.9 | Confident | 85.8 | Confident | 53 Ų | 53 | 35.5 Ų | 35.5 | 28% | 0.277 | 18% | 0.181 | S | C | . | . | trans | -115.6 | 44 | 177.5 | -58.2 | 175 | 0 | 0 | 0 | 114.1 | Y106 N110 T116 W148 | Y106-L114 HydrophobicContact CD1-CD1 4.09Å; Y106-L114 HydrophobicContact CD1-CD2 3.94Å; Y106-L114 HydrophobicContact CE1-CD1 3.95Å; Y106-L114 HydrophobicContact CE1-CD2 4.18Å; N110-L114 WeakPolarHBondContact O-CG 3.13Å; L114-T116 PolarHBondContact O-N 2.7Å; L114-W148 HydrophobicContact CB-CZ2 4.31Å; L114-W148 HydrophobicContact CD2-CD2 3.5Å; L114-W148 VanDerWaalsContact CD2-CD2 3.5Å; L114-W148 HydrophobicContact CD2-CE3 3.64Å; L114-W148 HydrophobicContact CD2-CG 3.98Å; L114-W148 HydrophobicContact CD2-CH2 4.23Å; L114-W148 HydrophobicContact CD2-CZ2 4.11Å; L114-W148 HydrophobicContact CD2-CZ3 4Å; L114-W148 PolarHBondContact O-NE1 2.88Å | ||
| 115 | P | 92.9 | Very high | 86.6 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 14% | 0.143 | 19% | 0.19 | C | C | . | . | trans | -67.8 | 133.2 | 178.7 | 31.6 | -35.3 | 0 | 0 | 0 | 110.6 | L113 F117 W148 P149 | L113-P115 HydrophobicContact CD1-CG 4.43Å; L113-P115 WeakPolarHBondContact O-CD 3.36Å; P115-F117 HydrophobicContact CB-CD1 4.19Å; P115-F117 HydrophobicContact CB-CE1 3.73Å; P115-F117 HydrophobicContact CB-CE2 4.11Å; P115-F117 HydrophobicContact CB-CZ 3.7Å; P115-F117 HydrophobicContact CG-CE1 4.09Å; P115-F117 HydrophobicContact CG-CE2 4.02Å; P115-F117 HydrophobicContact CG-CZ 3.59Å; P115-W148 VanDerWaalsContact O-CD1 3.31Å; P115-W148 PolarHBondContact O-NE1 2.93Å; P115-P149 HydrophobicContact CG-CB 3.76Å | ||
| 116 | T | 92 | Very high | 87.5 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 23% | 0.233 | 19% | 0.19 | C | C | . | . | trans | -100.5 | -8.7 | 170.6 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | L114 F118 L119 Q124 W148 | L114-T116 PolarHBondContact O-N 2.7Å; T116-F118 PolarHBondContact O-N 3.02Å; T116-F118 VanDerWaalsContact O-N 3.1Å; T116-L119 WeakPolarHBondContact O-CB 3.14Å; T116-L119 WeakPolarHBondContact O-CG 3.4Å; T116-L119 PolarHBondContact O-N 2.94Å; T116-Q124 HydrophobicContact CG2-CG 3.71Å; T116-W148 HydrophobicContact CG2-CZ2 4.47Å | ||
| 117 | F | 92.8 | Very high | 88 | Confident | 50 Ų | 50 | 34.8 Ų | 34.8 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -110.5 | -175 | -48.2 | -72.8 | 0 | 0 | 0 | 110.9 | P115 P149 A152 L153 F246 L249 | P115-F117 HydrophobicContact CB-CD1 4.19Å; P115-F117 HydrophobicContact CB-CE1 3.73Å; P115-F117 HydrophobicContact CB-CE2 4.11Å; P115-F117 HydrophobicContact CB-CZ 3.7Å; P115-F117 HydrophobicContact CG-CE1 4.09Å; P115-F117 HydrophobicContact CG-CE2 4.02Å; P115-F117 HydrophobicContact CG-CZ 3.59Å; F117-P149 HydrophobicContact CE2-CB 4.32Å; F117-P149 HydrophobicContact CZ-CB 4.15Å; F117-A152 HydrophobicContact CD2-CB 3.91Å; F117-A152 HydrophobicContact CE2-CB 3.93Å; F117-L153 HydrophobicContact CD2-CD2 3.87Å; F117-L153 HydrophobicContact CD2-CG 4.07Å; F117-L153 HydrophobicContact CE2-CD1 4.37Å; F117-L153 HydrophobicContact CE2-CD2 3.76Å; F117-L153 HydrophobicContact CE2-CG 3.55Å; F117-L153 HydrophobicContact CG-CD2 4.3Å; F117-L153 HydrophobicContact CZ-CD1 4.38Å; F117-L153 HydrophobicContact CZ-CD2 4.08Å; F117-L153 HydrophobicContact CZ-CG 3.99Å; F117-F246 HydrophobicContact CB-CD2 3.98Å; F117-F246 HydrophobicContact CB-CE2 3.93Å; F117-F246 HydrophobicContact CD1-CD2 4.1Å; F117-F246 HydrophobicContact CG-CD2 4.09Å; F117-F246 HydrophobicContact CG-CE2 4.15Å; F117-L249 HydrophobicContact CD1-CD1 4.22Å; F117-L249 HydrophobicContact CE1-CD1 3.39Å; F117-L249 HydrophobicContact CZ-CD1 3.95Å |
| 118 | F | 93.8 | Very high | 88.4 | Confident | 62 Ų | 62 | 36.9 Ų | 36.9 | 27% | 0.272 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 17.2 | -180 | -52.5 | -73.2 | 0 | 0 | 0 | 112.7 | V12 D13 L17 T116 N120 H156 F246 | V12-F118 WeakPolarHBondContact CA-O 3.27Å; V12-F118 HydrophobicContact CG1-CB 3.84Å; V12-F118 WeakPolarHBondContact CG1-O 3.38Å; D13-F118 PolarHBondContact N-O 3.15Å; L17-F118 HydrophobicContact CD1-CD2 3.8Å; L17-F118 HydrophobicContact CD1-CE2 4.15Å; L17-F118 HydrophobicContact CD1-CG 4.34Å; L17-F118 HydrophobicContact CD2-CD2 4.38Å; L17-F118 HydrophobicContact CD2-CE2 3.88Å; L17-F118 HydrophobicContact CD2-CZ 4.31Å; L17-F118 HydrophobicContact CG-CD2 4.29Å; L17-F118 HydrophobicContact CG-CE2 4.23Å; T116-F118 PolarHBondContact O-N 3.02Å; T116-F118 VanDerWaalsContact O-N 3.1Å; F118-N120 PolarHBondContact O-N 3.02Å; F118-H156 AromaticContact CD2-NE2 3.93Å; F118-H156 PolarHBondContact N-NE2 3.42Å; F118-F246 HydrophobicContact CD2-CD1 4.35Å; F118-F246 AromaticContact CD2-CD2 3.97Å; F118-F246 HydrophobicContact CD2-CD2 3.97Å; F118-F246 HydrophobicContact CD2-CE1 4.42Å; F118-F246 HydrophobicContact CD2-CE2 4.05Å; F118-F246 HydrophobicContact CD2-CG 4.13Å; F118-F246 HydrophobicContact CD2-CZ 4.29Å; F118-F246 HydrophobicContact CE2-CB 3.71Å; F118-F246 AromaticContact CE2-CD1 3.87Å; F118-F246 HydrophobicContact CE2-CD1 3.87Å; F118-F246 AromaticContact CE2-CD2 3.76Å; F118-F246 HydrophobicContact CE2-CD2 3.76Å; F118-F246 HydrophobicContact CE2-CE1 4.38Å; F118-F246 HydrophobicContact CE2-CE2 4.27Å; F118-F246 AromaticContact CE2-CG 3.53Å; F118-F246 HydrophobicContact CE2-CG 3.53Å; F118-F246 HydrophobicContact CZ-CB 4.36Å |
| 119 | L | 91 | Very high | 88.5 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 127.9 | 174.8 | -67.4 | -180 | 0 | 0 | 0 | 110.9 | L11 V12 T116 Q124 L127 A152 L155 | L11-L119 HydrophobicContact CB-CD2 4.24Å; L11-L119 WeakPolarHBondContact O-CA 3.43Å; L11-L119 WeakPolarHBondContact O-CD2 3.47Å; V12-L119 HydrophobicContact CG2-CD2 4.28Å; T116-L119 WeakPolarHBondContact O-CB 3.14Å; T116-L119 WeakPolarHBondContact O-CG 3.4Å; T116-L119 PolarHBondContact O-N 2.94Å; L119-Q124 HydrophobicContact CB-CG 4.04Å; L119-Q124 PolarHBondContact O-NE2 3.26Å; L119-L127 HydrophobicContact CD1-CB 4.38Å; L119-L127 HydrophobicContact CD1-CD2 4.23Å; L119-A152 HydrophobicContact CD1-CB 3.94Å; L119-L155 HydrophobicContact CD1-CB 4.35Å; L119-L155 HydrophobicContact CD1-CD1 4.14Å; L119-L155 HydrophobicContact CD2-CB 3.84Å |
| 120 | N | 90.7 | Very high | 88.9 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | trans | -72.3 | 178.8 | 171.6 | 67.9 | 25.9 | 0 | 0 | 0 | 110.9 | D10 L11 D13 F118 L122 G123 Q124 | D10-N120 PolarHBondContact O-ND2 2.92Å; L11-N120 VanDerWaalsContact C-CG 3.49Å; L11-N120 VanDerWaalsContact O-CG 3.3Å; L11-N120 PolarHBondContact O-N 3.49Å; L11-N120 PolarHBondContact O-OD1 3.29Å; D13-N120 VanDerWaalsContact OD1-CB 3.25Å; D13-N120 WeakPolarHBondContact OD1-CB 3.05Å; F118-N120 PolarHBondContact O-N 3.02Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 PolarHBondContact O-N 3.41Å; N120-L122 WeakPolarHBondContact OD1-CB 3.31Å; N120-L122 PolarHBondContact OD1-N 2.64Å; N120-L122 VanDerWaalsContact OD1-N 3.1Å; N120-G123 PolarHBondContact O-N 3.02Å; N120-G123 VanDerWaalsContact O-N 3.12Å; N120-G123 PolarHBondContact OD1-N 3.26Å; N120-Q124 WeakPolarHBondContact O-CG 3.47Å; N120-Q124 PolarHBondContact O-N 3.19Å | ||
| 121 | T | 87.6 | Confident | 89.1 | Confident | 105 Ų | 105 | 37.4 Ų | 37.4 | 64% | 0.644 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -57.3 | -39.3 | -178 | -49.8 | 0 | 0 | 0 | 0 | 112.8 | Q124 N125 | T121-Q124 PolarHBondContact O-N 2.83Å; T121-N125 VanDerWaalsContact O-CG 3.28Å; T121-N125 PolarHBondContact O-N 2.88Å; T121-N125 PolarHBondContact O-ND2 3.28Å |
| 122 | L | 88.3 | Confident | 89.2 | Confident | 82 Ų | 82 | 33.8 Ų | 33.8 | 43% | 0.429 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.8 | -48.7 | 176.1 | -178.7 | 64.5 | 0 | 0 | 0 | 110.4 | L11 N120 Q124 N125 C126 | L11-L122 HydrophobicContact CD2-CB 4.38Å; L11-L122 HydrophobicContact CD2-CD2 3.81Å; L11-L122 HydrophobicContact CD2-CG 3.75Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 PolarHBondContact O-N 3.41Å; N120-L122 WeakPolarHBondContact OD1-CB 3.31Å; N120-L122 PolarHBondContact OD1-N 2.64Å; N120-L122 VanDerWaalsContact OD1-N 3.1Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 3.37Å; L122-N125 WeakPolarHBondContact O-CA 3.07Å; L122-N125 WeakPolarHBondContact O-CB 3.29Å; L122-N125 PolarHBondContact O-N 3.28Å; L122-C126 PolarHBondContact O-N 2.84Å; L122-C126 PolarHBondContact O-SG 3.11Å |
| 123 | G | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.6 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | N120 C126 L127 | N120-G123 PolarHBondContact O-N 3.02Å; N120-G123 VanDerWaalsContact O-N 3.12Å; N120-G123 PolarHBondContact OD1-N 3.26Å; G123-C126 WeakPolarHBondContact O-CB 3.4Å; G123-C126 PolarHBondContact O-N 3.34Å; G123-L127 WeakPolarHBondContact O-CB 3.17Å; G123-L127 PolarHBondContact O-N 3.12Å |
| 124 | Q | 89.3 | Confident | 89 | Confident | 70 Ų | 70 | 32.9 Ų | 32.9 | 33% | 0.327 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.6 | -34.6 | 175.3 | -66.5 | 177.8 | 38.6 | 0 | 0 | 112.6 | T116 L119 N120 T121 L122 R128 | T116-Q124 HydrophobicContact CG2-CG 3.71Å; L119-Q124 HydrophobicContact CB-CG 4.04Å; L119-Q124 PolarHBondContact O-NE2 3.26Å; N120-Q124 WeakPolarHBondContact O-CG 3.47Å; N120-Q124 PolarHBondContact O-N 3.19Å; T121-Q124 PolarHBondContact O-N 2.83Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 3.37Å; Q124-R128 WeakPolarHBondContact O-CG 3.46Å; Q124-R128 PolarHBondContact O-N 3.08Å; Q124-R128 VanDerWaalsContact O-N 3.16Å |
| 125 | N | 85.2 | Confident | 88.5 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68 | -43.4 | 172.3 | -68.6 | -17.7 | 0 | 0 | 0 | 111.3 | V94 T121 L122 L127 R128 T129 | V94-N125 HydrophobicContact CG1-CB 4.42Å; T121-N125 VanDerWaalsContact O-CG 3.28Å; T121-N125 PolarHBondContact O-N 2.88Å; T121-N125 PolarHBondContact O-ND2 3.28Å; L122-N125 WeakPolarHBondContact O-CA 3.07Å; L122-N125 WeakPolarHBondContact O-CB 3.29Å; L122-N125 PolarHBondContact O-N 3.28Å; N125-L127 VanDerWaalsContact C-N 3.35Å; N125-L127 PolarHBondContact O-N 3.5Å; N125-R128 PolarHBondContact O-N 3.4Å; N125-R128 PolarHBondContact OD1-NH2 2.99Å; N125-T129 WeakPolarHBondContact O-CB 3.45Å; N125-T129 PolarHBondContact O-N 3.4Å; N125-T129 PolarHBondContact O-OG1 3.3Å |
| 126 | C | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 175.3 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | L11 L122 G123 R128 T129 I130 L155 I160 | L11-C126 HydrophobicContact CD1-CB 4.28Å; L122-C126 PolarHBondContact O-N 2.84Å; L122-C126 PolarHBondContact O-SG 3.11Å; G123-C126 WeakPolarHBondContact O-CB 3.4Å; G123-C126 PolarHBondContact O-N 3.34Å; C126-R128 PolarHBondContact O-N 2.87Å; C126-T129 PolarHBondContact O-N 3.46Å; C126-I130 VanDerWaalsContact O-CG1 3.3Å; C126-I130 WeakPolarHBondContact O-CG1 3.39Å; C126-I130 PolarHBondContact O-N 3.16Å; C126-L155 HydrophobicContact CB-CD1 4.48Å; C126-I160 HydrophobicContact CB-CD1 3.46Å; C126-I160 VanDerWaalsContact CB-CD1 3.46Å; C126-I160 HydrophobicContact CB-CG1 4.12Å; C126-I160 WeakPolarHBondContact SG-CD1 3.4Å |
| 127 | L | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54 | -53.8 | 173.5 | 172.5 | 59.9 | 0 | 0 | 0 | 111.7 | L119 G123 N125 T129 I130 L131 W148 T151 A152 L155 | L119-L127 HydrophobicContact CD1-CB 4.38Å; L119-L127 HydrophobicContact CD1-CD2 4.23Å; G123-L127 WeakPolarHBondContact O-CB 3.17Å; G123-L127 PolarHBondContact O-N 3.12Å; N125-L127 VanDerWaalsContact C-N 3.35Å; N125-L127 PolarHBondContact O-N 3.5Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 3.03Å; L127-I130 PolarHBondContact O-N 3.03Å; L127-L131 HydrophobicContact CD1-CD1 3.95Å; L127-L131 HydrophobicContact CD1-CG 4.34Å; L127-L131 HydrophobicContact CG-CD1 4.41Å; L127-L131 WeakPolarHBondContact O-CG 3.21Å; L127-L131 PolarHBondContact O-N 3.37Å; L127-L131 VanDerWaalsContact O-N 3.14Å; L127-W148 HydrophobicContact CD2-CD2 4.13Å; L127-W148 HydrophobicContact CD2-CH2 4.28Å; L127-W148 HydrophobicContact CD2-CZ2 3.67Å; L127-W148 HydrophobicContact CG-CZ2 4.46Å; L127-T151 VanDerWaalsContact CD1-CB 3.42Å; L127-T151 HydrophobicContact CD1-CG2 3.42Å; L127-T151 VanDerWaalsContact CD1-CG2 3.42Å; L127-A152 HydrophobicContact CD1-CB 4.32Å; L127-A152 HydrophobicContact CD2-CB 3.92Å; L127-L155 HydrophobicContact CB-CD1 3.74Å; L127-L155 HydrophobicContact CD1-CD1 4.37Å |
| 128 | R | 86.3 | Confident | 85.7 | Confident | 55 Ų | 55 | 35.3 Ų | 35.3 | 21% | 0.208 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 179.3 | -71.9 | -173.9 | -68.2 | 171 | -4.7 | 112 | I97 G105 Y106 Q124 N125 C126 L131 H132 W148 | I97-R128 HydrophobicContact CD1-CB 4.09Å; G105-R128 WeakPolarHBondContact CA-O 3.47Å; Y106-R128 VanDerWaalsContact CE2-CD 3.41Å; Y106-R128 HydrophobicContact CE2-CG 4.23Å; Q124-R128 WeakPolarHBondContact O-CG 3.46Å; Q124-R128 PolarHBondContact O-N 3.08Å; Q124-R128 VanDerWaalsContact O-N 3.16Å; N125-R128 PolarHBondContact O-N 3.4Å; N125-R128 PolarHBondContact OD1-NH2 2.99Å; C126-R128 PolarHBondContact O-N 2.87Å; R128-L131 PolarHBondContact O-N 3.05Å; R128-H132 VanDerWaalsContact O-CB 3.26Å; R128-H132 WeakPolarHBondContact O-CB 3.47Å; R128-H132 PolarHBondContact O-N 2.94Å; R128-W148 HydrophobicContact CG-CH2 3.97Å; R128-W148 HydrophobicContact CG-CZ3 4.27Å |
| 129 | T | 85.7 | Confident | 84.6 | Confident | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 178.7 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | N93 N125 C126 L127 L131 H132 N133 | N93-T129 WeakPolarHBondContact O-CG2 3.48Å; N125-T129 WeakPolarHBondContact O-CB 3.45Å; N125-T129 PolarHBondContact O-N 3.4Å; N125-T129 PolarHBondContact O-OG1 3.3Å; C126-T129 PolarHBondContact O-N 3.46Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 3.03Å; T129-L131 PolarHBondContact O-N 3.06Å; T129-H132 PolarHBondContact O-N 3.12Å; T129-N133 WeakPolarHBondContact O-CB 3.27Å; T129-N133 PolarHBondContact O-N 3.15Å; T129-N133 PolarHBondContact O-ND2 3.31Å; T129-N133 PolarHBondContact O-OD1 2.87Å |
| 130 | I | 90.6 | Very high | 83.5 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 177.7 | -68.7 | 166.7 | 0 | 0 | 0 | 110.7 | C126 L127 N133 I134 T151 L155 I160 V163 R164 | C126-I130 VanDerWaalsContact O-CG1 3.3Å; C126-I130 WeakPolarHBondContact O-CG1 3.39Å; C126-I130 PolarHBondContact O-N 3.16Å; L127-I130 PolarHBondContact O-N 3.03Å; I130-N133 PolarHBondContact O-N 3.26Å; I130-I134 HydrophobicContact CG2-CD1 3.82Å; I130-I134 VanDerWaalsContact O-CG1 3.3Å; I130-I134 WeakPolarHBondContact O-CG1 3.21Å; I130-I134 PolarHBondContact O-N 3.44Å; I130-T151 HydrophobicContact CB-CG2 4.23Å; I130-T151 HydrophobicContact CD1-CG2 4.07Å; I130-T151 HydrophobicContact CG2-CG2 3.94Å; I130-L155 HydrophobicContact CD1-CD1 4.26Å; I130-L155 HydrophobicContact CD1-CD2 3.83Å; I130-L155 HydrophobicContact CD1-CG 4.33Å; I130-I160 HydrophobicContact CD1-CB 4.3Å; I130-I160 HydrophobicContact CD1-CG1 4.28Å; I130-I160 HydrophobicContact CD1-CG2 3.77Å; I130-I160 HydrophobicContact CG1-CG2 3.73Å; I130-V163 HydrophobicContact CD1-CB 4.23Å; I130-V163 HydrophobicContact CD1-CG1 3.95Å; I130-R164 HydrophobicContact CG2-CB 4.29Å |
| 131 | L | 89.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | -178 | -65.4 | 178.5 | 0 | 0 | 0 | 111.8 | G105 F108 L127 R128 T129 I134 F135 L147 W148 | G105-L131 WeakPolarHBondContact O-CB 3.47Å; G105-L131 WeakPolarHBondContact O-CD1 3.5Å; F108-L131 WeakPolarHBondContact CE2-O 3.25Å; L127-L131 HydrophobicContact CD1-CD1 3.95Å; L127-L131 HydrophobicContact CD1-CG 4.34Å; L127-L131 HydrophobicContact CG-CD1 4.41Å; L127-L131 WeakPolarHBondContact O-CG 3.21Å; L127-L131 PolarHBondContact O-N 3.37Å; L127-L131 VanDerWaalsContact O-N 3.14Å; R128-L131 PolarHBondContact O-N 3.05Å; T129-L131 PolarHBondContact O-N 3.06Å; L131-I134 PolarHBondContact O-N 2.91Å; L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 PolarHBondContact O-N 2.93Å; L131-L147 HydrophobicContact CD2-CB 3.82Å; L131-W148 HydrophobicContact CD1-CB 4.37Å; L131-W148 HydrophobicContact CD1-CD2 4.21Å; L131-W148 HydrophobicContact CD1-CE3 3.53Å; L131-W148 HydrophobicContact CD1-CZ3 4.16Å |
| 132 | H | 84.1 | Confident | 82 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.9 | -174.3 | 54.9 | 0 | 0 | 0 | 111.7 | E107 R128 T129 I134 F135 I136 L370 | E107-H132 IonicContact OE1-CE1 2.83Å; E107-H132 IonicContact OE1-CG 3.48Å; E107-H132 IonicContact OE1-ND1 2.82Å; E107-H132 PolarHBondContact OE1-ND1 3.36Å; R128-H132 VanDerWaalsContact O-CB 3.26Å; R128-H132 WeakPolarHBondContact O-CB 3.47Å; R128-H132 PolarHBondContact O-N 2.94Å; T129-H132 PolarHBondContact O-N 3.12Å; H132-I134 VanDerWaalsContact C-N 3.35Å; H132-I134 PolarHBondContact O-N 3.27Å; H132-F135 WeakPolarHBondContact O-CA 3.35Å; H132-F135 WeakPolarHBondContact O-CB 3.35Å; H132-F135 PolarHBondContact O-N 3.39Å; H132-F135 VanDerWaalsContact O-N 3.12Å; H132-I136 WeakPolarHBondContact O-CG1 3.33Å; H132-I136 PolarHBondContact O-N 2.87Å; H132-L370 WeakPolarHBondContact NE2-CD1 3.28Å |
| 133 | N | 82.1 | Confident | 81.7 | Confident | 51 Ų | 51 | 34 Ų | 34 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.8 | -68.7 | -9.8 | 0 | 0 | 0 | 111 | T129 I130 F135 I136 D137 | T129-N133 WeakPolarHBondContact O-CB 3.27Å; T129-N133 PolarHBondContact O-N 3.15Å; T129-N133 PolarHBondContact O-ND2 3.31Å; T129-N133 PolarHBondContact O-OD1 2.87Å; I130-N133 PolarHBondContact O-N 3.26Å; N133-F135 VanDerWaalsContact C-N 3.26Å; N133-F135 PolarHBondContact O-N 3.47Å; N133-I136 PolarHBondContact O-N 3.49Å; N133-D137 WeakPolarHBondContact O-CB 3.37Å; N133-D137 PolarHBondContact O-N 3.49Å; N133-D137 VanDerWaalsContact O-OD2 3.05Å |
| 134 | I | 85.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -37.8 | 173.9 | -66.6 | 166.3 | 0 | 0 | 0 | 110.9 | F108 I130 L131 H132 D137 R138 L141 I167 L168 L171 | F108-I134 HydrophobicContact CE2-CB 4.04Å; F108-I134 HydrophobicContact CE2-CG2 3.75Å; F108-I134 HydrophobicContact CZ-CG2 3.95Å; I130-I134 HydrophobicContact CG2-CD1 3.82Å; I130-I134 VanDerWaalsContact O-CG1 3.3Å; I130-I134 WeakPolarHBondContact O-CG1 3.21Å; I130-I134 PolarHBondContact O-N 3.44Å; L131-I134 PolarHBondContact O-N 2.91Å; H132-I134 VanDerWaalsContact C-N 3.35Å; H132-I134 PolarHBondContact O-N 3.27Å; I134-D137 PolarHBondContact O-N 2.92Å; I134-R138 HydrophobicContact CG2-CG 4.46Å; I134-R138 WeakPolarHBondContact O-CA 3.4Å; I134-R138 VanDerWaalsContact O-CB 3.3Å; I134-R138 WeakPolarHBondContact O-CB 3.36Å; I134-R138 PolarHBondContact O-N 3.49Å; I134-L141 HydrophobicContact CG2-CD1 4.18Å; I134-I167 HydrophobicContact CD1-CB 4.23Å; I134-I167 HydrophobicContact CD1-CG2 3.56Å; I134-L168 HydrophobicContact CG1-CD2 4.26Å; I134-L168 HydrophobicContact CG2-CD2 4.42Å; I134-L171 HydrophobicContact CG2-CD1 3.97Å |
| 135 | F | 79 | Confident | 81.8 | Confident | 26 Ų | 26 | 30.8 Ų | 30.8 | 11% | 0.114 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | 175.4 | 174.6 | -100.4 | 0 | 0 | 0 | 113.2 | E107 F108 L131 H132 N133 F365 A367 | E107-F135 HydrophobicContact CB-CB 4.2Å; E107-F135 HydrophobicContact CB-CD1 4.12Å; E107-F135 HydrophobicContact CB-CD2 3.44Å; E107-F135 VanDerWaalsContact CB-CD2 3.44Å; E107-F135 HydrophobicContact CB-CE1 4.39Å; E107-F135 HydrophobicContact CB-CE2 3.77Å; E107-F135 HydrophobicContact CB-CG 3.63Å; E107-F135 HydrophobicContact CB-CZ 4.24Å; E107-F135 HydrophobicContact CG-CB 4.28Å; E107-F135 HydrophobicContact CG-CD1 3.58Å; E107-F135 HydrophobicContact CG-CD2 3.88Å; E107-F135 HydrophobicContact CG-CE1 3.8Å; E107-F135 HydrophobicContact CG-CE2 4.09Å; E107-F135 HydrophobicContact CG-CG 3.62Å; E107-F135 HydrophobicContact CG-CZ 4.06Å; F108-F135 HydrophobicContact CD1-CD2 4.3Å; F108-F135 HydrophobicContact CE1-CB 4.04Å; F108-F135 AromaticContact CE1-CD2 3.64Å; F108-F135 HydrophobicContact CE1-CD2 3.64Å; F108-F135 HydrophobicContact CE1-CG 4.33Å; F108-F135 HydrophobicContact CE2-CB 3.74Å; F108-F135 HydrophobicContact CZ-CB 3.48Å; F108-F135 VanDerWaalsContact CZ-CB 3.48Å; F108-F135 AromaticContact CZ-CD2 3.98Å; F108-F135 HydrophobicContact CZ-CD2 3.98Å; F108-F135 HydrophobicContact CZ-CG 4.23Å; L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 PolarHBondContact O-N 2.93Å; H132-F135 WeakPolarHBondContact O-CA 3.35Å; H132-F135 WeakPolarHBondContact O-CB 3.35Å; H132-F135 PolarHBondContact O-N 3.39Å; H132-F135 VanDerWaalsContact O-N 3.12Å; N133-F135 VanDerWaalsContact C-N 3.26Å; N133-F135 PolarHBondContact O-N 3.47Å; F135-F365 HydrophobicContact CE1-CB 4.48Å; F135-F365 WeakPolarHBondContact CE1-O 3.25Å; F135-F365 WeakPolarHBondContact CZ-O 3.45Å; F135-A367 HydrophobicContact CD1-CB 3.48Å; F135-A367 VanDerWaalsContact CD1-CB 3.48Å; F135-A367 HydrophobicContact CE1-CB 3.19Å; F135-A367 HydrophobicContact CG-CB 4.41Å; F135-A367 HydrophobicContact CZ-CB 3.95Å |
| 136 | I | 72.2 | Confident | 82.2 | Confident | 45 Ų | 45 | 29.4 Ų | 29.4 | 23% | 0.231 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64 | -46 | 171.1 | -65.6 | 168.4 | 0 | 0 | 0 | 111 | H132 N133 R138 A367 L370 | H132-I136 WeakPolarHBondContact O-CG1 3.33Å; H132-I136 PolarHBondContact O-N 2.87Å; N133-I136 PolarHBondContact O-N 3.49Å; I136-R138 VanDerWaalsContact C-N 3.35Å; I136-R138 PolarHBondContact O-N 3.49Å; I136-A367 HydrophobicContact CB-CB 4.25Å; I136-A367 HydrophobicContact CG1-CB 3.88Å; I136-L370 HydrophobicContact CD1-CD1 4.18Å |
| 137 | D | 74.8 | Confident | 82.5 | Confident | 78 Ų | 78 | 29.4 Ų | 29.4 | 42% | 0.417 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -74.3 | -24.3 | -174.8 | -61.9 | -33.9 | 0 | 0 | 0 | 113.6 | N133 I134 R164 | N133-D137 WeakPolarHBondContact O-CB 3.37Å; N133-D137 PolarHBondContact O-N 3.49Å; N133-D137 VanDerWaalsContact O-OD2 3.05Å; I134-D137 PolarHBondContact O-N 2.92Å; D137-R164 IonicContact OD2-CZ 2.68Å; D137-R164 IonicContact OD2-NE 2.75Å; D137-R164 IonicContact OD2-NH2 3.95Å; D137-R164 PolarHBondContact OD2-NH2 3.29Å |
| 138 | R | 73.2 | Confident | 82.6 | Confident | 66 Ų | 66 | 29.7 Ų | 29.7 | 25% | 0.249 | 15% | 0.15 | C | C | . | . | trans | -134.8 | 65.8 | -172.4 | -58.9 | -66.2 | -170.2 | 102.9 | 5 | 111.3 | I134 I136 E140 L141 D172 | I134-R138 HydrophobicContact CG2-CG 4.46Å; I134-R138 WeakPolarHBondContact O-CA 3.4Å; I134-R138 VanDerWaalsContact O-CB 3.3Å; I134-R138 WeakPolarHBondContact O-CB 3.36Å; I134-R138 PolarHBondContact O-N 3.49Å; I136-R138 VanDerWaalsContact C-N 3.35Å; I136-R138 PolarHBondContact O-N 3.49Å; R138-E140 WeakPolarHBondContact CA-OE2 3.36Å; R138-E140 VanDerWaalsContact CD-OE1 3.27Å; R138-E140 WeakPolarHBondContact CD-OE1 3.33Å; R138-E140 IonicContact NH1-OE1 3.04Å; R138-E140 PolarHBondContact O-N 3Å; R138-E140 VanDerWaalsContact O-N 3.15Å; R138-L141 HydrophobicContact CB-CD1 3.59Å; R138-L141 HydrophobicContact CB-CG 3.85Å; R138-L141 HydrophobicContact CG-CD1 4.23Å; R138-L141 WeakPolarHBondContact O-CB 3.49Å; R138-L141 PolarHBondContact O-N 2.89Å; R138-L141 VanDerWaalsContact O-N 3.1Å; R138-D172 IonicContact CZ-OD1 2.67Å; R138-D172 IonicContact NH1-OD1 3.34Å; R138-D172 PolarHBondContact NH1-OD1 3.42Å; R138-D172 IonicContact NH2-OD1 3.53Å; R138-D172 PolarHBondContact NH2-OD1 3.31Å; R138-D172 IonicContact NH2-OD2 3.29Å | ||
| 139 | P | 69.6 | Low | 83.1 | Confident | 55 Ų | 55 | 27 Ų | 27 | 36% | 0.357 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.7 | -177.4 | 27.6 | -35.6 | 0 | 0 | 0 | 113.6 | L141 | P139-L141 PolarHBondContact O-N 3.13Š|
| 140 | E | 69 | Low | 83.7 | Confident | 111 Ų | 111 | 26.5 Ų | 26.5 | 52% | 0.519 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.3 | 174.7 | 75.3 | -78.3 | -173.7 | 0 | 0 | 113.5 | R138 V142 | R138-E140 WeakPolarHBondContact CA-OE2 3.36Å; R138-E140 VanDerWaalsContact CD-OE1 3.27Å; R138-E140 WeakPolarHBondContact CD-OE1 3.33Å; R138-E140 IonicContact NH1-OE1 3.04Å; R138-E140 PolarHBondContact O-N 3Å; R138-E140 VanDerWaalsContact O-N 3.15Å; E140-V142 WeakPolarHBondContact O-CG2 3.38Å; E140-V142 PolarHBondContact O-N 3.22Å |
| 141 | L | 75.5 | Confident | 84 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | trans | -78 | 104.5 | 178.5 | -64.7 | 179.9 | 0 | 0 | 0 | 110.2 | F108 I134 R138 P139 L171 Q179 | F108-L141 HydrophobicContact CD1-CB 4.03Å; F108-L141 WeakPolarHBondContact CD1-O 3.38Å; F108-L141 HydrophobicContact CE1-CB 3.37Å; F108-L141 HydrophobicContact CE1-CD1 4.23Å; F108-L141 HydrophobicContact CE1-CG 4.45Å; F108-L141 VanDerWaalsContact CE1-O 3.23Å; F108-L141 WeakPolarHBondContact CE1-O 3.31Å; F108-L141 HydrophobicContact CZ-CB 3.99Å; F108-L141 HydrophobicContact CZ-CD1 4.02Å; I134-L141 HydrophobicContact CG2-CD1 4.18Å; R138-L141 HydrophobicContact CB-CD1 3.59Å; R138-L141 HydrophobicContact CB-CG 3.85Å; R138-L141 HydrophobicContact CG-CD1 4.23Å; R138-L141 WeakPolarHBondContact O-CB 3.49Å; R138-L141 PolarHBondContact O-N 2.89Å; R138-L141 VanDerWaalsContact O-N 3.1Å; P139-L141 PolarHBondContact O-N 3.13Å; L141-L171 HydrophobicContact CD1-CD1 3.87Å; L141-L171 HydrophobicContact CD1-CD2 4.06Å; L141-L171 HydrophobicContact CD2-CD2 4.32Å; L141-Q179 HydrophobicContact CD2-CB 3.82Å; L141-Q179 HydrophobicContact CD2-CG 3.77Å | ||
| 142 | V | 71 | Confident | 84.4 | Confident | 87 Ų | 87 | 26.4 Ų | 26.4 | 53% | 0.527 | 14% | 0.136 | S | C | . | . | trans | -91.4 | -29.2 | -173 | -159.1 | 0 | 0 | 0 | 0 | 112.5 | E140 | E140-V142 WeakPolarHBondContact O-CG2 3.38Å; E140-V142 PolarHBondContact O-N 3.22Å | ||
| 143 | Y | 80.8 | Confident | 85 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | trans | -165.9 | 110 | -176.4 | -172.3 | -107.7 | 0 | 0 | 0 | 112.5 | N110 P145 Q179 T180 K181 W184 I354 P356 | N110-Y143 HydrophobicContact CB-CE2 4.37Å; N110-Y143 WeakPolarHBondContact CB-OH 3.36Å; N110-Y143 PolarHBondContact ND2-OH 3.08Å; Y143-P145 HydrophobicContact CD1-CG 4.2Å; Y143-P145 HydrophobicContact CE1-CB 4.41Å; Y143-P145 HydrophobicContact CE1-CG 3.65Å; Y143-Q179 PolarHBondContact N-O 3.09Å; Y143-Q179 CarbonylContact O-C 3.58Å; Y143-Q179 VanDerWaalsContact O-CA 3.31Å; Y143-Q179 WeakPolarHBondContact O-CA 3.3Å; Y143-Q179 VanDerWaalsContact O-O 3.09Å; Y143-T180 PolarHBondContact O-N 3.4Å; Y143-K181 HydrophobicContact CD1-CB 4.48Å; Y143-K181 HydrophobicContact CD1-CG 3.86Å; Y143-K181 HydrophobicContact CD2-CG 4.25Å; Y143-K181 HydrophobicContact CG-CG 3.66Å; Y143-W184 HydrophobicContact CD1-CB 4.06Å; Y143-W184 HydrophobicContact CD1-CG 4.33Å; Y143-W184 HydrophobicContact CE1-CB 3.82Å; Y143-W184 AromaticContact CE1-CD1 3.72Å; Y143-W184 HydrophobicContact CE1-CD2 4.21Å; Y143-W184 AromaticContact CE1-CG 3.62Å; Y143-W184 HydrophobicContact CE1-CG 3.62Å; Y143-I354 HydrophobicContact CE1-CG2 4.19Å; Y143-I354 HydrophobicContact CE2-CG2 4.06Å; Y143-P356 HydrophobicContact CE2-CG 4.42Å | ||
| 144 | A | 90.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | trans | -138.1 | 69 | -176 | 0 | 0 | 0 | 0 | 0 | 111 | F108 Q146 L147 I178 | F108-A144 HydrophobicContact CB-CB 4.19Å; F108-A144 CarbonylContact O-C 3.56Å; F108-A144 VanDerWaalsContact O-C 3.26Å; F108-A144 PolarHBondContact O-N 3.22Å; A144-Q146 PolarHBondContact O-N 2.69Å; A144-L147 HydrophobicContact CB-CD1 3.69Å; A144-L147 HydrophobicContact CB-CG 3.79Å; A144-L147 VanDerWaalsContact O-CB 3.31Å; A144-L147 WeakPolarHBondContact O-CB 3.36Å; A144-L147 WeakPolarHBondContact O-CG 3.43Å; A144-L147 PolarHBondContact O-N 2.92Å; A144-I178 WeakPolarHBondContact CA-O 3.49Å; A144-I178 WeakPolarHBondContact CB-O 3.33Å | ||
| 145 | P | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.2 | -168.5 | 27.9 | -37.8 | 0 | 0 | 0 | 113.6 | N110 L113 Y143 L147 P149 W184 | N110-P145 HydrophobicContact CB-CB 3.74Å; L113-P145 HydrophobicContact CD2-CB 4.21Å; L113-P145 WeakPolarHBondContact CD2-O 3.41Å; Y143-P145 HydrophobicContact CD1-CG 4.2Å; Y143-P145 HydrophobicContact CE1-CB 4.41Å; Y143-P145 HydrophobicContact CE1-CG 3.65Å; P145-L147 VanDerWaalsContact C-N 3.28Å; P145-L147 PolarHBondContact O-N 3.35Å; P145-P149 VanDerWaalsContact O-CD 3.22Å; P145-P149 WeakPolarHBondContact O-CD 3.35Å; P145-W184 HydrophobicContact CB-CH2 4.42Å; P145-W184 HydrophobicContact CG-CD2 3.52Å; P145-W184 HydrophobicContact CG-CE3 3.36Å; P145-W184 HydrophobicContact CG-CG 4.26Å; P145-W184 HydrophobicContact CG-CH2 3.75Å; P145-W184 HydrophobicContact CG-CZ2 3.89Å; P145-W184 HydrophobicContact CG-CZ3 3.51Å |
| 146 | Q | 94.8 | Very high | 87 | Confident | 14 Ų | 14 | 22.2 Ų | 22.2 | 7% | 0.065 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.3 | 174.1 | -58.7 | 178.5 | -71.2 | 0 | 0 | 113.1 | A144 W148 P149 L150 L177 W184 W242 | A144-Q146 PolarHBondContact O-N 2.69Å; Q146-W148 VanDerWaalsContact C-N 3.3Å; Q146-W148 PolarHBondContact O-N 3.48Å; Q146-P149 WeakPolarHBondContact O-CD 3.22Å; Q146-P149 WeakPolarHBondContact O-CG 3.48Å; Q146-L150 HydrophobicContact CB-CD1 4.31Å; Q146-L150 WeakPolarHBondContact O-CB 3.44Å; Q146-L150 WeakPolarHBondContact O-CD1 3.33Å; Q146-L150 VanDerWaalsContact O-CG 3.31Å; Q146-L150 WeakPolarHBondContact O-CG 3.41Å; Q146-L150 PolarHBondContact O-N 3.08Å; Q146-L177 HydrophobicContact CB-CD2 4.3Å; Q146-W184 HydrophobicContact CG-CZ3 3.8Å; Q146-W242 HydrophobicContact CB-CZ2 4.39Å; Q146-W242 HydrophobicContact CG-CZ2 4.35Å |
| 147 | L | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | -179.6 | -73 | -175.2 | 0 | 0 | 0 | 111.9 | F108 L131 A144 P145 T151 I167 L171 L177 | F108-L147 HydrophobicContact CB-CD1 4.29Å; F108-L147 HydrophobicContact CD2-CD1 3.67Å; F108-L147 HydrophobicContact CE2-CD1 4.08Å; F108-L147 HydrophobicContact CG-CD1 4.06Å; L131-L147 HydrophobicContact CD2-CB 3.82Å; A144-L147 HydrophobicContact CB-CD1 3.69Å; A144-L147 HydrophobicContact CB-CG 3.79Å; A144-L147 VanDerWaalsContact O-CB 3.31Å; A144-L147 WeakPolarHBondContact O-CB 3.36Å; A144-L147 WeakPolarHBondContact O-CG 3.43Å; A144-L147 PolarHBondContact O-N 2.92Å; P145-L147 VanDerWaalsContact C-N 3.28Å; P145-L147 PolarHBondContact O-N 3.35Å; L147-T151 WeakPolarHBondContact O-CB 3.33Å; L147-T151 PolarHBondContact O-N 2.86Å; L147-T151 PolarHBondContact O-OG1 2.78Å; L147-I167 HydrophobicContact CD2-CD1 4.38Å; L147-I167 HydrophobicContact CD2-CG2 3.51Å; L147-L171 HydrophobicContact CD1-CD1 4.21Å; L147-L171 HydrophobicContact CD1-CD2 4.25Å; L147-L171 HydrophobicContact CD2-CD1 4.16Å; L147-L171 HydrophobicContact CD2-CD2 4.06Å; L147-L171 HydrophobicContact CD2-CG 4.11Å; L147-L171 HydrophobicContact CG-CD2 4.49Å; L147-L177 HydrophobicContact CD2-CD1 3.68Å |
| 148 | W | 94.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 16.6 Ų | 16.6 | 2% | 0.023 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -62.4 | -179.8 | -173.8 | -71.6 | 0 | 0 | 0 | 112.8 | G105 Y106 S109 L114 P115 T116 L127 R128 L131 Q146 L150 T151 A152 | G105-W148 WeakPolarHBondContact O-CZ3 3.46Å; Y106-W148 HydrophobicContact CD1-CE3 4.27Å; Y106-W148 AromaticContact CD1-CH2 3.61Å; Y106-W148 HydrophobicContact CD1-CH2 3.61Å; Y106-W148 AromaticContact CD1-CZ3 3.38Å; Y106-W148 HydrophobicContact CD1-CZ3 3.38Å; Y106-W148 AromaticContact CE1-CH2 3.1Å; Y106-W148 HydrophobicContact CE1-CH2 3.1Å; Y106-W148 AromaticContact CE1-CZ2 3.97Å; Y106-W148 HydrophobicContact CE1-CZ2 3.97Å; Y106-W148 AromaticContact CE1-CZ3 3.45Å; Y106-W148 HydrophobicContact CE1-CZ3 3.45Å; Y106-W148 VanDerWaalsContact CE1-CZ3 3.45Å; Y106-W148 HydrophobicContact CE2-CH2 4.41Å; Y106-W148 HydrophobicContact CG-CH2 4.41Å; Y106-W148 AromaticContact CG-CZ3 3.99Å; Y106-W148 HydrophobicContact CG-CZ3 3.99Å; Y106-W148 AromaticContact CZ-CH2 3.57Å; S109-W148 VanDerWaalsContact OG-CE3 3.24Å; L114-W148 HydrophobicContact CB-CZ2 4.31Å; L114-W148 HydrophobicContact CD2-CD2 3.5Å; L114-W148 VanDerWaalsContact CD2-CD2 3.5Å; L114-W148 HydrophobicContact CD2-CE3 3.64Å; L114-W148 HydrophobicContact CD2-CG 3.98Å; L114-W148 HydrophobicContact CD2-CH2 4.23Å; L114-W148 HydrophobicContact CD2-CZ2 4.11Å; L114-W148 HydrophobicContact CD2-CZ3 4Å; L114-W148 PolarHBondContact O-NE1 2.88Å; P115-W148 VanDerWaalsContact O-CD1 3.31Å; P115-W148 PolarHBondContact O-NE1 2.93Å; T116-W148 HydrophobicContact CG2-CZ2 4.47Å; L127-W148 HydrophobicContact CD2-CD2 4.13Å; L127-W148 HydrophobicContact CD2-CH2 4.28Å; L127-W148 HydrophobicContact CD2-CZ2 3.67Å; L127-W148 HydrophobicContact CG-CZ2 4.46Å; R128-W148 HydrophobicContact CG-CH2 3.97Å; R128-W148 HydrophobicContact CG-CZ3 4.27Å; L131-W148 HydrophobicContact CD1-CB 4.37Å; L131-W148 HydrophobicContact CD1-CD2 4.21Å; L131-W148 HydrophobicContact CD1-CE3 3.53Å; L131-W148 HydrophobicContact CD1-CZ3 4.16Å; Q146-W148 VanDerWaalsContact C-N 3.3Å; Q146-W148 PolarHBondContact O-N 3.48Å; W148-L150 VanDerWaalsContact C-N 3.31Å; W148-L150 PolarHBondContact O-N 2.71Å; W148-T151 PolarHBondContact O-N 2.68Å; W148-A152 WeakPolarHBondContact O-CB 3.32Å; W148-A152 PolarHBondContact O-N 3.15Å |
| 149 | P | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | -178.4 | 25.6 | -35.5 | 0 | 0 | 0 | 112.7 | L113 P115 F117 P145 Q146 A152 L153 W242 | L113-P149 HydrophobicContact CD1-CG 4.26Å; L113-P149 HydrophobicContact CD2-CG 4.17Å; L113-P149 HydrophobicContact CG-CG 4.12Å; P115-P149 HydrophobicContact CG-CB 3.76Å; F117-P149 HydrophobicContact CE2-CB 4.32Å; F117-P149 HydrophobicContact CZ-CB 4.15Å; P145-P149 VanDerWaalsContact O-CD 3.22Å; P145-P149 WeakPolarHBondContact O-CD 3.35Å; Q146-P149 WeakPolarHBondContact O-CD 3.22Å; Q146-P149 WeakPolarHBondContact O-CG 3.48Å; P149-A152 PolarHBondContact O-N 3.34Å; P149-L153 WeakPolarHBondContact O-CB 3.48Å; P149-L153 VanDerWaalsContact O-CG 3.3Å; P149-L153 WeakPolarHBondContact O-CG 3.15Å; P149-L153 PolarHBondContact O-N 2.91Å; P149-W242 HydrophobicContact CB-CD2 3.76Å; P149-W242 HydrophobicContact CB-CE3 3.46Å; P149-W242 VanDerWaalsContact CB-CE3 3.46Å; P149-W242 HydrophobicContact CB-CG 4.29Å; P149-W242 HydrophobicContact CB-CH2 4.42Å; P149-W242 HydrophobicContact CB-CZ3 3.81Å; P149-W242 HydrophobicContact CG-CD2 3.64Å; P149-W242 HydrophobicContact CG-CE3 3.76Å; P149-W242 HydrophobicContact CG-CG 4.18Å; P149-W242 HydrophobicContact CG-CH2 4.07Å; P149-W242 HydrophobicContact CG-CZ2 3.99Å; P149-W242 HydrophobicContact CG-CZ3 3.96Å |
| 150 | L | 97.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.3 | -47.1 | 177.1 | -76.3 | 171.5 | 0 | 0 | 0 | 111.9 | Q146 W148 A152 L153 F154 I167 L177 W242 I253 F256 | Q146-L150 HydrophobicContact CB-CD1 4.31Å; Q146-L150 WeakPolarHBondContact O-CB 3.44Å; Q146-L150 WeakPolarHBondContact O-CD1 3.33Å; Q146-L150 VanDerWaalsContact O-CG 3.31Å; Q146-L150 WeakPolarHBondContact O-CG 3.41Å; Q146-L150 PolarHBondContact O-N 3.08Å; W148-L150 VanDerWaalsContact C-N 3.31Å; W148-L150 PolarHBondContact O-N 2.71Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.42Å; L150-L153 PolarHBondContact O-N 3.38Å; L150-F154 HydrophobicContact CD2-CE1 4.49Å; L150-F154 WeakPolarHBondContact O-CB 3.39Å; L150-F154 WeakPolarHBondContact O-CD1 3.26Å; L150-F154 VanDerWaalsContact O-CG 3.26Å; L150-F154 WeakPolarHBondContact O-CG 3.47Å; L150-F154 PolarHBondContact O-N 3.21Å; L150-I167 HydrophobicContact CB-CD1 4.04Å; L150-L177 HydrophobicContact CD1-CD2 3.46Å; L150-L177 VanDerWaalsContact CD1-CD2 3.46Å; L150-W242 HydrophobicContact CD2-CH2 3.96Å; L150-W242 HydrophobicContact CD2-CZ3 4.35Å; L150-W242 HydrophobicContact CG-CH2 3.89Å; L150-W242 HydrophobicContact CG-CZ3 4.46Å; L150-I253 HydrophobicContact CD2-CD1 3.63Å; L150-F256 HydrophobicContact CD1-CE1 4.32Å; L150-F256 HydrophobicContact CD2-CD1 4.48Å; L150-F256 HydrophobicContact CD2-CE1 4.14Å |
| 151 | T | 97.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 178.5 | -53.2 | 0 | 0 | 0 | 0 | 110 | L127 I130 L147 W148 L153 F154 L155 V163 I167 | L127-T151 VanDerWaalsContact CD1-CB 3.42Å; L127-T151 HydrophobicContact CD1-CG2 3.42Å; L127-T151 VanDerWaalsContact CD1-CG2 3.42Å; I130-T151 HydrophobicContact CB-CG2 4.23Å; I130-T151 HydrophobicContact CD1-CG2 4.07Å; I130-T151 HydrophobicContact CG2-CG2 3.94Å; L147-T151 WeakPolarHBondContact O-CB 3.33Å; L147-T151 PolarHBondContact O-N 2.86Å; L147-T151 PolarHBondContact O-OG1 2.78Å; W148-T151 PolarHBondContact O-N 2.68Å; T151-L153 PolarHBondContact O-N 3.27Å; T151-F154 PolarHBondContact O-N 2.83Å; T151-L155 HydrophobicContact CG2-CD1 4.29Å; T151-L155 WeakPolarHBondContact O-CG 2.93Å; T151-L155 PolarHBondContact O-N 3.48Å; T151-V163 HydrophobicContact CG2-CG1 3.79Å; T151-I167 WeakPolarHBondContact OG1-CD1 3.1Å |
| 152 | A | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F117 L119 L127 W148 P149 L150 L155 H156 | F117-A152 HydrophobicContact CD2-CB 3.91Å; F117-A152 HydrophobicContact CE2-CB 3.93Å; L119-A152 HydrophobicContact CD1-CB 3.94Å; L127-A152 HydrophobicContact CD1-CB 4.32Å; L127-A152 HydrophobicContact CD2-CB 3.92Å; W148-A152 WeakPolarHBondContact O-CB 3.32Å; W148-A152 PolarHBondContact O-N 3.15Å; P149-A152 PolarHBondContact O-N 3.34Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.42Å; A152-L155 PolarHBondContact O-N 3.16Å; A152-H156 PolarHBondContact O-CE1 2.78Å; A152-H156 PolarHBondContact O-ND1 3.3Å |
| 153 | L | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 175 | -75.5 | 173.1 | 0 | 0 | 0 | 111.7 | W65 F117 P149 L150 T151 L155 H156 W242 F246 L249 I253 | W65-L153 HydrophobicContact CH2-CB 4Å; W65-L153 HydrophobicContact CZ3-CB 3.95Å; W65-L153 WeakPolarHBondContact CZ3-O 3.3Å; F117-L153 HydrophobicContact CD2-CD2 3.87Å; F117-L153 HydrophobicContact CD2-CG 4.07Å; F117-L153 HydrophobicContact CE2-CD1 4.37Å; F117-L153 HydrophobicContact CE2-CD2 3.76Å; F117-L153 HydrophobicContact CE2-CG 3.55Å; F117-L153 HydrophobicContact CG-CD2 4.3Å; F117-L153 HydrophobicContact CZ-CD1 4.38Å; F117-L153 HydrophobicContact CZ-CD2 4.08Å; F117-L153 HydrophobicContact CZ-CG 3.99Å; P149-L153 WeakPolarHBondContact O-CB 3.48Å; P149-L153 VanDerWaalsContact O-CG 3.3Å; P149-L153 WeakPolarHBondContact O-CG 3.15Å; P149-L153 PolarHBondContact O-N 2.91Å; L150-L153 PolarHBondContact O-N 3.38Å; T151-L153 PolarHBondContact O-N 3.27Å; L153-L155 VanDerWaalsContact C-N 3.3Å; L153-L155 PolarHBondContact O-N 3.28Å; L153-H156 VanDerWaalsContact O-CB 3.31Å; L153-H156 WeakPolarHBondContact O-CB 3.3Å; L153-H156 PolarHBondContact O-N 2.94Å; L153-W242 HydrophobicContact CD1-CZ3 4.2Å; L153-F246 HydrophobicContact CD2-CD2 3.96Å; L153-F246 HydrophobicContact CD2-CE2 3.46Å; L153-F246 VanDerWaalsContact CD2-CE2 3.46Å; L153-F246 HydrophobicContact CD2-CZ 4.22Å; L153-L249 HydrophobicContact CD1-CB 4.41Å; L153-I253 HydrophobicContact CD1-CD1 4.31Å; L153-I253 HydrophobicContact CD1-CG1 3.75Å |
| 154 | F | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | -178 | -75.3 | 5.8 | 0 | 0 | 0 | 112 | W65 L150 T151 H156 Y157 M158 V163 C166 I167 L170 I253 L257 | W65-F154 HydrophobicContact CD2-CD1 4.29Å; W65-F154 HydrophobicContact CD2-CE1 4.24Å; W65-F154 AromaticContact CE3-CD1 3.25Å; W65-F154 HydrophobicContact CE3-CD1 3.25Å; W65-F154 AromaticContact CE3-CE1 3.61Å; W65-F154 HydrophobicContact CE3-CE1 3.61Å; W65-F154 HydrophobicContact CE3-CG 4.28Å; W65-F154 AromaticContact CZ3-CD1 3.48Å; W65-F154 HydrophobicContact CZ3-CD1 3.48Å; W65-F154 VanDerWaalsContact CZ3-CD1 3.48Å; W65-F154 HydrophobicContact CZ3-CE1 4.04Å; L150-F154 HydrophobicContact CD2-CE1 4.49Å; L150-F154 WeakPolarHBondContact O-CB 3.39Å; L150-F154 WeakPolarHBondContact O-CD1 3.26Å; L150-F154 VanDerWaalsContact O-CG 3.26Å; L150-F154 WeakPolarHBondContact O-CG 3.47Å; L150-F154 PolarHBondContact O-N 3.21Å; T151-F154 PolarHBondContact O-N 2.83Å; F154-H156 PolarHBondContact O-N 3.24Å; F154-H156 VanDerWaalsContact O-N 3.14Å; F154-Y157 PolarHBondContact O-N 2.78Å; F154-M158 HydrophobicContact CB-CE 3.78Å; F154-M158 HydrophobicContact CD1-CE 3.89Å; F154-M158 HydrophobicContact CD2-CE 4.27Å; F154-M158 HydrophobicContact CG-CE 3.72Å; F154-M158 PolarHBondContact O-N 2.83Å; F154-V163 HydrophobicContact CB-CB 4.32Å; F154-V163 HydrophobicContact CB-CG1 3.74Å; F154-V163 HydrophobicContact CB-CG2 3.83Å; F154-V163 HydrophobicContact CD2-CG1 4.31Å; F154-C166 HydrophobicContact CD2-CB 3.89Å; F154-C166 HydrophobicContact CE2-CB 3.67Å; F154-I167 HydrophobicContact CD2-CD1 3.96Å; F154-I167 HydrophobicContact CD2-CG1 4.19Å; F154-I167 HydrophobicContact CE2-CD1 3.88Å; F154-I167 HydrophobicContact CE2-CG1 4.37Å; F154-L170 HydrophobicContact CE2-CD1 4.04Å; F154-L170 HydrophobicContact CZ-CD1 3.94Å; F154-I253 HydrophobicContact CE1-CG2 4.09Å; F154-L257 HydrophobicContact CE1-CD2 4.42Å; F154-L257 HydrophobicContact CZ-CD2 3.95Å |
| 155 | L | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -18.5 | 176.1 | -74.6 | 168.9 | 0 | 0 | 0 | 113.7 | T9 L11 L119 C126 L127 I130 T151 A152 L153 Y157 I160 V163 | T9-L155 WeakPolarHBondContact CG2-O 3.45Å; T9-L155 PolarHBondContact OG1-O 2.87Å; L11-L155 HydrophobicContact CD1-CB 4.3Å; L11-L155 HydrophobicContact CD1-CD2 3.64Å; L11-L155 HydrophobicContact CD1-CG 4.46Å; L119-L155 HydrophobicContact CD1-CB 4.35Å; L119-L155 HydrophobicContact CD1-CD1 4.14Å; L119-L155 HydrophobicContact CD2-CB 3.84Å; C126-L155 HydrophobicContact CB-CD1 4.48Å; L127-L155 HydrophobicContact CB-CD1 3.74Å; L127-L155 HydrophobicContact CD1-CD1 4.37Å; I130-L155 HydrophobicContact CD1-CD1 4.26Å; I130-L155 HydrophobicContact CD1-CD2 3.83Å; I130-L155 HydrophobicContact CD1-CG 4.33Å; T151-L155 HydrophobicContact CG2-CD1 4.29Å; T151-L155 WeakPolarHBondContact O-CG 2.93Å; T151-L155 PolarHBondContact O-N 3.48Å; A152-L155 PolarHBondContact O-N 3.16Å; L153-L155 VanDerWaalsContact C-N 3.3Å; L153-L155 PolarHBondContact O-N 3.28Å; L155-Y157 PolarHBondContact O-N 3.48Å; L155-I160 HydrophobicContact CD2-CG1 3.83Å; L155-V163 HydrophobicContact CD2-CB 4.38Å; L155-V163 HydrophobicContact CD2-CG1 4.44Å; L155-V163 HydrophobicContact CD2-CG2 3.95Å; L155-V163 HydrophobicContact CG-CG1 4.32Å; L155-V163 HydrophobicContact CG-CG2 4.27Å |
| 156 | H | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.3 | 173.8 | -71.9 | 61.9 | 0 | 0 | 0 | 112.3 | F8 T9 V12 F118 A152 L153 F154 F246 | F8-H156 CarbonylContact C-O 3.56Å; F8-H156 WeakPolarHBondContact CA-O 3.2Å; F8-H156 HydrophobicContact CD1-CB 4.31Å; T9-H156 PolarHBondContact N-O 3.41Å; V12-H156 HydrophobicContact CG2-CB 4.01Å; F118-H156 AromaticContact CD2-NE2 3.93Å; F118-H156 PolarHBondContact N-NE2 3.42Å; A152-H156 PolarHBondContact O-CE1 2.78Å; A152-H156 PolarHBondContact O-ND1 3.3Å; L153-H156 VanDerWaalsContact O-CB 3.31Å; L153-H156 WeakPolarHBondContact O-CB 3.3Å; L153-H156 PolarHBondContact O-N 2.94Å; F154-H156 PolarHBondContact O-N 3.24Å; F154-H156 VanDerWaalsContact O-N 3.14Å; H156-F246 HydrophobicContact CB-CZ 4.42Å; H156-F246 AromaticContact CD2-CE2 3.78Å; H156-F246 AromaticContact CD2-CZ 3.47Å; H156-F246 VanDerWaalsContact CD2-CZ 3.47Å; H156-F246 WeakPolarHBondContact CD2-CZ 3.06Å; H156-F246 AromaticContact CG-CZ 3.92Å; H156-F246 AromaticContact NE2-CE2 3.69Å; H156-F246 AromaticContact NE2-CZ 3.9Å |
| 157 | Y | 94.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.02 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -20.2 | -169.6 | -56.3 | -67.6 | 0 | 0 | 0 | 114.5 | P7 F8 P56 R61 K62 W65 F154 L155 F246 V250 | P7-Y157 HydrophobicContact CB-CD1 4.41Å; F8-Y157 HydrophobicContact CD1-CD1 4.05Å; F8-Y157 AromaticContact CD1-CE1 3.62Å; F8-Y157 HydrophobicContact CD1-CE1 3.62Å; F8-Y157 HydrophobicContact CE1-CD1 4.2Å; F8-Y157 AromaticContact CE1-CE1 3.32Å; F8-Y157 HydrophobicContact CE1-CE1 3.32Å; F8-Y157 AromaticContact CE1-CZ 3.79Å; F8-Y157 HydrophobicContact CZ-CE1 4.31Å; P56-Y157 WeakPolarHBondContact O-CE1 3.5Å; P56-Y157 PolarHBondContact O-OH 3.28Å; R61-Y157 HydrophobicContact CB-CD1 3.43Å; R61-Y157 VanDerWaalsContact CB-CD1 3.43Å; R61-Y157 HydrophobicContact CB-CE1 3.49Å; R61-Y157 VanDerWaalsContact CB-CE1 3.49Å; R61-Y157 HydrophobicContact CB-CG 4.02Å; R61-Y157 HydrophobicContact CG-CD1 4.44Å; R61-Y157 HydrophobicContact CG-CE1 4.02Å; R61-Y157 WeakPolarHBondContact O-CB 3.15Å; K62-Y157 WeakPolarHBondContact CA-O 3.39Å; W65-Y157 HydrophobicContact CE3-CD2 4.07Å; W65-Y157 AromaticContact CH2-CD2 3.83Å; W65-Y157 HydrophobicContact CH2-CD2 3.83Å; W65-Y157 AromaticContact CH2-CE2 3.65Å; W65-Y157 HydrophobicContact CH2-CE2 3.65Å; W65-Y157 HydrophobicContact CZ2-CD2 4.42Å; W65-Y157 HydrophobicContact CZ2-CE2 4.17Å; W65-Y157 AromaticContact CZ3-CD2 3.61Å; W65-Y157 HydrophobicContact CZ3-CD2 3.61Å; W65-Y157 AromaticContact CZ3-CE2 3.94Å; W65-Y157 HydrophobicContact CZ3-CE2 3.94Å; F154-Y157 PolarHBondContact O-N 2.78Å; L155-Y157 PolarHBondContact O-N 3.48Å; Y157-F246 WeakPolarHBondContact OH-CE1 3.19Å; Y157-V250 HydrophobicContact CE2-CG2 4.29Å; Y157-V250 WeakPolarHBondContact OH-CG2 3.21Å |
| 158 | M | 92.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -126.2 | 147.1 | -171.5 | -68.8 | 175.5 | -82.2 | 0 | 0 | 111.5 | W65 I79 F154 V162 V163 | W65-M158 HydrophobicContact CB-CE 3.6Å; W65-M158 HydrophobicContact CB-SD 4.19Å; W65-M158 HydrophobicContact CD2-CE 4.29Å; W65-M158 HydrophobicContact CE3-CE 3.62Å; W65-M158 HydrophobicContact CG-CE 4.35Å; I79-M158 HydrophobicContact CD1-CG 4.13Å; F154-M158 HydrophobicContact CB-CE 3.78Å; F154-M158 HydrophobicContact CD1-CE 3.89Å; F154-M158 HydrophobicContact CD2-CE 4.27Å; F154-M158 HydrophobicContact CG-CE 3.72Å; F154-M158 PolarHBondContact O-N 2.83Å; M158-V162 HydrophobicContact CB-CB 4.49Å; M158-V162 HydrophobicContact CB-CG1 4.36Å; M158-V162 HydrophobicContact CG-CG1 4.44Å; M158-V162 HydrophobicContact SD-CG1 4.04Å; M158-V163 HydrophobicContact CB-CG2 3.79Å; M158-V163 WeakPolarHBondContact O-CG2 3.41Å |
| 159 | P | 89.8 | Confident | 94.3 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 12% | 0.117 | 9% | 0.093 | C | C | . | . | trans | -67.8 | 153.7 | 174.7 | 28.8 | -34.1 | 0 | 0 | 0 | 111.4 | I79 T161 V162 V163 | I79-P159 HydrophobicContact CG2-CG 4.21Å; P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 2.68Å; P159-T161 VanDerWaalsContact O-N 3.13Å; P159-V162 HydrophobicContact CG-CB 4.12Å; P159-V162 HydrophobicContact CG-CG2 3.76Å; P159-V162 PolarHBondContact O-N 3.04Å; P159-V163 WeakPolarHBondContact O-CG2 3.09Å; P159-V163 PolarHBondContact O-N 2.75Å | ||
| 160 | I | 89.7 | Confident | 94.3 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 14% | 0.138 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -50.3 | -43.4 | -173.2 | -69 | -178.9 | 0 | 0 | 0 | 113.5 | L11 I89 C126 I130 L155 V162 V163 R164 | L11-I160 HydrophobicContact CD1-CG1 4.39Å; I89-I160 HydrophobicContact CD1-CD1 3.2Å; I89-I160 HydrophobicContact CD1-CG1 4.29Å; I89-I160 HydrophobicContact CG1-CD1 3.91Å; C126-I160 HydrophobicContact CB-CD1 3.46Å; C126-I160 VanDerWaalsContact CB-CD1 3.46Å; C126-I160 HydrophobicContact CB-CG1 4.12Å; C126-I160 WeakPolarHBondContact SG-CD1 3.4Å; I130-I160 HydrophobicContact CD1-CB 4.3Å; I130-I160 HydrophobicContact CD1-CG1 4.28Å; I130-I160 HydrophobicContact CD1-CG2 3.77Å; I130-I160 HydrophobicContact CG1-CG2 3.73Å; L155-I160 HydrophobicContact CD2-CG1 3.83Å; I160-V162 VanDerWaalsContact C-N 3.3Å; I160-V162 PolarHBondContact O-N 2.77Å; I160-V163 PolarHBondContact O-N 2.91Å; I160-R164 PolarHBondContact O-N 2.93Å |
| 161 | T | 85.9 | Confident | 94.2 | Very high | 88 Ų | 88 | 19.1 Ų | 19.1 | 54% | 0.54 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -62.5 | -38.6 | -177.8 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | P159 K165 | P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 2.68Å; P159-T161 VanDerWaalsContact O-N 3.13Å; T161-K165 WeakPolarHBondContact O-CG 2.91Å; T161-K165 PolarHBondContact O-N 3.22Å |
| 162 | V | 91.9 | Very high | 94 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74.9 | -42.8 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | I79 M158 P159 I160 R164 K165 C166 | I79-V162 HydrophobicContact CD1-CG1 4.46Å; I79-V162 HydrophobicContact CG1-CG1 4.18Å; I79-V162 HydrophobicContact CG1-CG2 4.09Å; M158-V162 HydrophobicContact CB-CB 4.49Å; M158-V162 HydrophobicContact CB-CG1 4.36Å; M158-V162 HydrophobicContact CG-CG1 4.44Å; M158-V162 HydrophobicContact SD-CG1 4.04Å; P159-V162 HydrophobicContact CG-CB 4.12Å; P159-V162 HydrophobicContact CG-CG2 3.76Å; P159-V162 PolarHBondContact O-N 3.04Å; I160-V162 VanDerWaalsContact C-N 3.3Å; I160-V162 PolarHBondContact O-N 2.77Å; V162-R164 VanDerWaalsContact C-N 3.34Å; V162-R164 PolarHBondContact O-N 3.26Å; V162-K165 PolarHBondContact O-N 3.17Å; V162-K165 VanDerWaalsContact O-N 3.16Å; V162-C166 PolarHBondContact O-N 3.08Å; V162-C166 PolarHBondContact O-SG 3.43Å |
| 163 | V | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.8 | -49.4 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | I130 T151 F154 L155 M158 P159 I160 K165 C166 I167 | I130-V163 HydrophobicContact CD1-CB 4.23Å; I130-V163 HydrophobicContact CD1-CG1 3.95Å; T151-V163 HydrophobicContact CG2-CG1 3.79Å; F154-V163 HydrophobicContact CB-CB 4.32Å; F154-V163 HydrophobicContact CB-CG1 3.74Å; F154-V163 HydrophobicContact CB-CG2 3.83Å; F154-V163 HydrophobicContact CD2-CG1 4.31Å; L155-V163 HydrophobicContact CD2-CB 4.38Å; L155-V163 HydrophobicContact CD2-CG1 4.44Å; L155-V163 HydrophobicContact CD2-CG2 3.95Å; L155-V163 HydrophobicContact CG-CG1 4.32Å; L155-V163 HydrophobicContact CG-CG2 4.27Å; M158-V163 HydrophobicContact CB-CG2 3.79Å; M158-V163 WeakPolarHBondContact O-CG2 3.41Å; P159-V163 WeakPolarHBondContact O-CG2 3.09Å; P159-V163 PolarHBondContact O-N 2.75Å; I160-V163 PolarHBondContact O-N 2.91Å; V163-K165 PolarHBondContact O-N 3.49Å; V163-C166 PolarHBondContact O-N 3.08Å; V163-I167 HydrophobicContact CG1-CG1 4.39Å; V163-I167 WeakPolarHBondContact O-CG1 3.35Å; V163-I167 PolarHBondContact O-N 3.48Å |
| 164 | R | 93.1 | Very high | 93.5 | Very high | 85 Ų | 85 | 32.1 Ų | 32.1 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.3 | -46 | 178.1 | -177.6 | 173 | 171.3 | -87.3 | 2.7 | 111.5 | I130 D137 I160 V162 C166 I167 L168 | I130-R164 HydrophobicContact CG2-CB 4.29Å; D137-R164 IonicContact OD2-CZ 2.68Å; D137-R164 IonicContact OD2-NE 2.75Å; D137-R164 IonicContact OD2-NH2 3.95Å; D137-R164 PolarHBondContact OD2-NH2 3.29Å; I160-R164 PolarHBondContact O-N 2.93Å; V162-R164 VanDerWaalsContact C-N 3.34Å; V162-R164 PolarHBondContact O-N 3.26Å; R164-C166 PolarHBondContact O-N 2.78Å; R164-I167 PolarHBondContact O-N 3.18Å; R164-L168 HydrophobicContact CG-CD1 4.05Å; R164-L168 HydrophobicContact CG-CG 4.48Å; R164-L168 WeakPolarHBondContact O-CG 3.31Å; R164-L168 PolarHBondContact O-N 3.38Å |
| 165 | K | 93.1 | Very high | 93.1 | Very high | 118 Ų | 118 | 34.9 Ų | 34.9 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 177 | -71.1 | 177.2 | -179.2 | -178.7 | 0 | 112.5 | L77 T161 V162 V163 L168 T169 | L77-K165 HydrophobicContact CD2-CB 3.6Å; L77-K165 HydrophobicContact CD2-CD 4.38Å; T161-K165 WeakPolarHBondContact O-CG 2.91Å; T161-K165 PolarHBondContact O-N 3.22Å; V162-K165 PolarHBondContact O-N 3.17Å; V162-K165 VanDerWaalsContact O-N 3.16Å; V163-K165 PolarHBondContact O-N 3.49Å; K165-L168 PolarHBondContact O-N 3.43Å; K165-T169 WeakPolarHBondContact O-CB 3.23Å; K165-T169 PolarHBondContact O-N 3Å; K165-T169 PolarHBondContact O-OG1 2.95Å |
| 166 | C | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.4 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | L69 F154 V162 V163 R164 T169 L170 | L69-C166 HydrophobicContact CD1-CB 3.61Å; F154-C166 HydrophobicContact CD2-CB 3.89Å; F154-C166 HydrophobicContact CE2-CB 3.67Å; V162-C166 PolarHBondContact O-N 3.08Å; V162-C166 PolarHBondContact O-SG 3.43Å; V163-C166 PolarHBondContact O-N 3.08Å; R164-C166 PolarHBondContact O-N 2.78Å; C166-T169 WeakPolarHBondContact O-CB 3.47Å; C166-T169 PolarHBondContact O-N 3.25Å; C166-L170 WeakPolarHBondContact O-CG 3.18Å; C166-L170 PolarHBondContact O-N 3.32Å; C166-L170 VanDerWaalsContact O-N 3.1Å |
| 167 | I | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -47.7 | 177.6 | -68.8 | -64.4 | 0 | 0 | 0 | 111.3 | I134 L147 L150 T151 F154 V163 R164 T169 L170 L171 | I134-I167 HydrophobicContact CD1-CB 4.23Å; I134-I167 HydrophobicContact CD1-CG2 3.56Å; L147-I167 HydrophobicContact CD2-CD1 4.38Å; L147-I167 HydrophobicContact CD2-CG2 3.51Å; L150-I167 HydrophobicContact CB-CD1 4.04Å; T151-I167 WeakPolarHBondContact OG1-CD1 3.1Å; F154-I167 HydrophobicContact CD2-CD1 3.96Å; F154-I167 HydrophobicContact CD2-CG1 4.19Å; F154-I167 HydrophobicContact CE2-CD1 3.88Å; F154-I167 HydrophobicContact CE2-CG1 4.37Å; V163-I167 HydrophobicContact CG1-CG1 4.39Å; V163-I167 WeakPolarHBondContact O-CG1 3.35Å; V163-I167 PolarHBondContact O-N 3.48Å; R164-I167 PolarHBondContact O-N 3.18Å; I167-T169 VanDerWaalsContact C-N 3.3Å; I167-T169 PolarHBondContact O-N 3.4Å; I167-L170 PolarHBondContact O-N 3.42Å; I167-L171 HydrophobicContact CG2-CD1 3.93Å; I167-L171 HydrophobicContact CG2-CG 4.46Å; I167-L171 PolarHBondContact O-N 3.39Å |
| 168 | L | 94.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.131 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 176.6 | -70.5 | 172.6 | 0 | 0 | 0 | 111.2 | I134 R164 K165 L170 L171 D172 | I134-L168 HydrophobicContact CG1-CD2 4.26Å; I134-L168 HydrophobicContact CG2-CD2 4.42Å; R164-L168 HydrophobicContact CG-CD1 4.05Å; R164-L168 HydrophobicContact CG-CG 4.48Å; R164-L168 WeakPolarHBondContact O-CG 3.31Å; R164-L168 PolarHBondContact O-N 3.38Å; K165-L168 PolarHBondContact O-N 3.43Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.21Å; L168-L171 HydrophobicContact CD2-CD1 4.49Å; L168-L171 PolarHBondContact O-N 3.11Å; L168-L171 VanDerWaalsContact O-N 3.13Å; L168-D172 VanDerWaalsContact O-CG 3.23Å; L168-D172 PolarHBondContact O-N 3.15Å |
| 169 | T | 95.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.7 | -44.5 | 173.4 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | Y73 I75 K165 C166 I167 Q173 | Y73-T169 HydrophobicContact CD2-CG2 3.71Å; Y73-T169 HydrophobicContact CE2-CG2 4.24Å; Y73-T169 HydrophobicContact CG-CG2 4.18Å; I75-T169 HydrophobicContact CD1-CG2 3.33Å; I75-T169 WeakPolarHBondContact CD1-OG1 3.44Å; K165-T169 WeakPolarHBondContact O-CB 3.23Å; K165-T169 PolarHBondContact O-N 3Å; K165-T169 PolarHBondContact O-OG1 2.95Å; C166-T169 WeakPolarHBondContact O-CB 3.47Å; C166-T169 PolarHBondContact O-N 3.25Å; I167-T169 VanDerWaalsContact C-N 3.3Å; I167-T169 PolarHBondContact O-N 3.4Å; T169-Q173 WeakPolarHBondContact O-CG 3.39Å |
| 170 | L | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.4 | -35.3 | -179.8 | -71.1 | 171.4 | 0 | 0 | 0 | 112.4 | L69 Y73 F154 C166 I167 L168 Q173 V176 L177 F256 L257 | L69-L170 HydrophobicContact CD2-CD2 3.8Å; L69-L170 HydrophobicContact CD2-CG 4.24Å; Y73-L170 HydrophobicContact CE2-CD2 4.43Å; F154-L170 HydrophobicContact CE2-CD1 4.04Å; F154-L170 HydrophobicContact CZ-CD1 3.94Å; C166-L170 WeakPolarHBondContact O-CG 3.18Å; C166-L170 PolarHBondContact O-N 3.32Å; C166-L170 VanDerWaalsContact O-N 3.1Å; I167-L170 PolarHBondContact O-N 3.42Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.21Å; L170-Q173 PolarHBondContact O-N 3.16Å; L170-V176 HydrophobicContact CD2-CG1 3.72Å; L170-L177 HydrophobicContact CB-CD1 3.63Å; L170-L177 HydrophobicContact CB-CG 4.06Å; L170-F256 HydrophobicContact CD1-CE1 4.33Å; L170-F256 HydrophobicContact CD2-CE1 4.41Å; L170-L257 HydrophobicContact CD1-CD2 4.34Å; L170-L257 HydrophobicContact CD2-CD2 4.44Å |
| 171 | L | 94.4 | Very high | 92 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | 176.3 | -76.7 | 167.7 | 0 | 0 | 0 | 112.1 | I134 L141 L147 I167 L168 Q173 L177 Q179 | I134-L171 HydrophobicContact CG2-CD1 3.97Å; L141-L171 HydrophobicContact CD1-CD1 3.87Å; L141-L171 HydrophobicContact CD1-CD2 4.06Å; L141-L171 HydrophobicContact CD2-CD2 4.32Å; L147-L171 HydrophobicContact CD1-CD1 4.21Å; L147-L171 HydrophobicContact CD1-CD2 4.25Å; L147-L171 HydrophobicContact CD2-CD1 4.16Å; L147-L171 HydrophobicContact CD2-CD2 4.06Å; L147-L171 HydrophobicContact CD2-CG 4.11Å; L147-L171 HydrophobicContact CG-CD2 4.49Å; I167-L171 HydrophobicContact CG2-CD1 3.93Å; I167-L171 HydrophobicContact CG2-CG 4.46Å; I167-L171 PolarHBondContact O-N 3.39Å; L168-L171 HydrophobicContact CD2-CD1 4.49Å; L168-L171 PolarHBondContact O-N 3.11Å; L168-L171 VanDerWaalsContact O-N 3.13Å; L171-Q173 PolarHBondContact O-N 2.82Å; L171-Q173 VanDerWaalsContact O-N 3.15Å; L171-L177 HydrophobicContact CD2-CB 4.48Å; L171-L177 HydrophobicContact CD2-CD1 4.01Å; L171-L177 HydrophobicContact CG-CD1 4.08Å; L171-Q179 HydrophobicContact CD2-CG 3.97Å; L171-Q179 PolarHBondContact O-NE2 3.07Å |
| 172 | D | 93.5 | Very high | 91.7 | Very high | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -7.5 | -179.6 | -65.7 | -26 | 0 | 0 | 0 | 113.1 | R138 L168 | R138-D172 IonicContact CZ-OD1 2.67Å; R138-D172 IonicContact NH1-OD1 3.34Å; R138-D172 PolarHBondContact NH1-OD1 3.42Å; R138-D172 IonicContact NH2-OD1 3.53Å; R138-D172 PolarHBondContact NH2-OD1 3.31Å; R138-D172 IonicContact NH2-OD2 3.29Å; L168-D172 VanDerWaalsContact O-CG 3.23Å; L168-D172 PolarHBondContact O-N 3.15Å |
| 173 | Q | 93.8 | Very high | 91.4 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -100 | 122 | -176.4 | -62.1 | -68 | -41.9 | 0 | 0 | 111.1 | Y73 T169 L170 L171 G175 V176 | Y73-Q173 VanDerWaalsContact CD1-CD 3.49Å; Y73-Q173 HydrophobicContact CD1-CG 3.9Å; Y73-Q173 HydrophobicContact CE1-CB 4.17Å; Y73-Q173 HydrophobicContact CE1-CG 3.41Å; Y73-Q173 VanDerWaalsContact CE1-CG 3.41Å; Y73-Q173 VanDerWaalsContact CE1-OE1 3.23Å; Y73-Q173 HydrophobicContact CE2-CG 4.44Å; T169-Q173 WeakPolarHBondContact O-CG 3.39Å; L170-Q173 PolarHBondContact O-N 3.16Å; L171-Q173 PolarHBondContact O-N 2.82Å; L171-Q173 VanDerWaalsContact O-N 3.15Å; Q173-G175 PolarHBondContact O-N 3.41Å; Q173-V176 HydrophobicContact CB-CB 4.09Å; Q173-V176 HydrophobicContact CB-CG2 3.52Å; Q173-V176 PolarHBondContact O-N 3.22Å |
| 174 | P | 89.8 | Confident | 91.1 | Very high | 121 Ų | 121 | 44.7 Ų | 44.7 | 79% | 0.786 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 128.3 | -171.5 | 24.8 | -33.8 | 0 | 0 | 0 | 111.7 | V176 | P174-V176 PolarHBondContact O-N 3.17Š|
| 175 | G | 88.2 | Confident | 90.9 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 16 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q173 P261 | Q173-G175 PolarHBondContact O-N 3.41Å; G175-P261 WeakPolarHBondContact O-CG 3.16Å |
| 176 | V | 94.9 | Very high | 90.7 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -47.2 | 174 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | L170 Q173 P174 F256 | L170-V176 HydrophobicContact CD2-CG1 3.72Å; Q173-V176 HydrophobicContact CB-CB 4.09Å; Q173-V176 HydrophobicContact CB-CG2 3.52Å; Q173-V176 PolarHBondContact O-N 3.22Å; P174-V176 PolarHBondContact O-N 3.17Å; V176-F256 HydrophobicContact CG1-CE2 4.32Å; V176-F256 HydrophobicContact CG1-CZ 3.97Å |
| 177 | L | 94.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -116.2 | 144.3 | 173.1 | -61.8 | -178.9 | 0 | 0 | 0 | 109.9 | Q146 L147 L150 L170 L171 F256 | Q146-L177 HydrophobicContact CB-CD2 4.3Å; L147-L177 HydrophobicContact CD2-CD1 3.68Å; L150-L177 HydrophobicContact CD1-CD2 3.46Å; L150-L177 VanDerWaalsContact CD1-CD2 3.46Å; L170-L177 HydrophobicContact CB-CD1 3.63Å; L170-L177 HydrophobicContact CB-CG 4.06Å; L171-L177 HydrophobicContact CD2-CB 4.48Å; L171-L177 HydrophobicContact CD2-CD1 4.01Å; L171-L177 HydrophobicContact CG-CD1 4.08Å; L177-F256 HydrophobicContact CD2-CZ 4.09Å |
| 178 | I | 91.9 | Very high | 90.5 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | trans | -79.8 | 132.8 | 173.7 | -63.4 | 162.4 | 0 | 0 | 0 | 108.6 | A144 D183 W184 H187 | A144-I178 WeakPolarHBondContact CA-O 3.49Å; A144-I178 WeakPolarHBondContact CB-O 3.33Å; I178-D183 HydrophobicContact CG2-CB 3.78Å; I178-W184 HydrophobicContact CB-CE3 4.3Å; I178-W184 HydrophobicContact CD1-CE3 3.57Å; I178-W184 HydrophobicContact CD1-CZ3 3.98Å; I178-W184 HydrophobicContact CG2-CB 3.82Å; I178-W184 HydrophobicContact CG2-CE3 4.18Å; I178-H187 HydrophobicContact CD1-CB 3.61Å | ||
| 179 | Q | 88.9 | Confident | 90.5 | Very high | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | trans | -125.2 | -3.2 | -172.5 | -61.9 | 177.7 | 19.4 | 0 | 0 | 113.9 | L141 Y143 L171 | L141-Q179 HydrophobicContact CD2-CB 3.82Å; L141-Q179 HydrophobicContact CD2-CG 3.77Å; Y143-Q179 PolarHBondContact N-O 3.09Å; Y143-Q179 CarbonylContact O-C 3.58Å; Y143-Q179 VanDerWaalsContact O-CA 3.31Å; Y143-Q179 WeakPolarHBondContact O-CA 3.3Å; Y143-Q179 VanDerWaalsContact O-O 3.09Å; L171-Q179 HydrophobicContact CD2-CG 3.97Å; L171-Q179 PolarHBondContact O-NE2 3.07Å | ||
| 180 | T | 81.9 | Confident | 90.5 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 31% | 0.307 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -130.5 | 159.9 | 177.7 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | Y143 D183 W184 | Y143-T180 PolarHBondContact O-N 3.4Å; T180-D183 WeakPolarHBondContact OG1-CB 3.33Å; T180-D183 PolarHBondContact OG1-N 3.16Å; T180-D183 VanDerWaalsContact OG1-N 3.15Å; T180-D183 PolarHBondContact OG1-OD2 3.02Å; T180-W184 WeakPolarHBondContact O-CB 3.48Å; T180-W184 PolarHBondContact O-N 2.69Å; T180-W184 VanDerWaalsContact O-N 3.13Å |
| 181 | K | 81.4 | Confident | 90.5 | Very high | 91 Ų | 91 | 39 Ų | 39 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -40.9 | 175 | -73.6 | 179.9 | -175.9 | 171.4 | 0 | 112.4 | Y143 W184 K185 I354 | Y143-K181 HydrophobicContact CD1-CB 4.48Å; Y143-K181 HydrophobicContact CD1-CG 3.86Å; Y143-K181 HydrophobicContact CD2-CG 4.25Å; Y143-K181 HydrophobicContact CG-CG 3.66Å; K181-W184 PolarHBondContact O-N 2.91Å; K181-K185 PolarHBondContact O-N 2.9Å; K181-K185 VanDerWaalsContact O-N 3.12Å; K181-I354 HydrophobicContact CB-CD1 3.84Å; K181-I354 HydrophobicContact CD-CG2 3.98Å; K181-I354 HydrophobicContact CG-CD1 4.33Å; K181-I354 HydrophobicContact CG-CG2 3.92Å; K181-I354 VanDerWaalsContact O-CD1 3.32Å; K181-I354 WeakPolarHBondContact O-CD1 3.38Å |
| 182 | S | 81.2 | Confident | 90.4 | Very high | 59 Ų | 59 | 39 Ų | 39 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -50.5 | 179.7 | -161.5 | 0 | 0 | 0 | 0 | 111 | W184 K185 E186 | S182-W184 PolarHBondContact O-N 3.34Å; S182-K185 WeakPolarHBondContact O-CB 3.41Å; S182-K185 PolarHBondContact O-N 3.39Å; S182-K185 VanDerWaalsContact O-N 3.11Å; S182-E186 WeakPolarHBondContact O-CG 3.39Å; S182-E186 PolarHBondContact O-N 3.48Å; S182-E186 PolarHBondContact OG-OE1 3.39Å |
| 183 | D | 85.2 | Confident | 90.4 | Very high | 65 Ų | 65 | 36 Ų | 36 | 35% | 0.348 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 179.1 | -64.9 | -33.9 | 0 | 0 | 0 | 111.1 | I178 T180 E186 H187 | I178-D183 HydrophobicContact CG2-CB 3.78Å; T180-D183 WeakPolarHBondContact OG1-CB 3.33Å; T180-D183 PolarHBondContact OG1-N 3.16Å; T180-D183 VanDerWaalsContact OG1-N 3.15Å; T180-D183 PolarHBondContact OG1-OD2 3.02Å; D183-E186 PolarHBondContact O-N 3.31Å; D183-H187 WeakPolarHBondContact O-CB 3.22Å; D183-H187 PolarHBondContact O-CD2 3.48Å; D183-H187 PolarHBondContact O-N 3.12Å |
| 184 | W | 88.4 | Confident | 90.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 176.3 | -179.5 | -101.4 | 0 | 0 | 0 | 112.3 | L113 Y143 P145 Q146 I178 T180 K181 S182 E186 H187 C188 C238 L239 L353 | L113-W184 HydrophobicContact CD2-CH2 4.25Å; Y143-W184 HydrophobicContact CD1-CB 4.06Å; Y143-W184 HydrophobicContact CD1-CG 4.33Å; Y143-W184 HydrophobicContact CE1-CB 3.82Å; Y143-W184 AromaticContact CE1-CD1 3.72Å; Y143-W184 HydrophobicContact CE1-CD2 4.21Å; Y143-W184 AromaticContact CE1-CG 3.62Å; Y143-W184 HydrophobicContact CE1-CG 3.62Å; P145-W184 HydrophobicContact CB-CH2 4.42Å; P145-W184 HydrophobicContact CG-CD2 3.52Å; P145-W184 HydrophobicContact CG-CE3 3.36Å; P145-W184 HydrophobicContact CG-CG 4.26Å; P145-W184 HydrophobicContact CG-CH2 3.75Å; P145-W184 HydrophobicContact CG-CZ2 3.89Å; P145-W184 HydrophobicContact CG-CZ3 3.51Å; Q146-W184 HydrophobicContact CG-CZ3 3.8Å; I178-W184 HydrophobicContact CB-CE3 4.3Å; I178-W184 HydrophobicContact CD1-CE3 3.57Å; I178-W184 HydrophobicContact CD1-CZ3 3.98Å; I178-W184 HydrophobicContact CG2-CB 3.82Å; I178-W184 HydrophobicContact CG2-CE3 4.18Å; T180-W184 WeakPolarHBondContact O-CB 3.48Å; T180-W184 PolarHBondContact O-N 2.69Å; T180-W184 VanDerWaalsContact O-N 3.13Å; K181-W184 PolarHBondContact O-N 2.91Å; S182-W184 PolarHBondContact O-N 3.34Å; W184-E186 VanDerWaalsContact C-N 3.34Å; W184-E186 PolarHBondContact O-N 3.12Å; W184-H187 PolarHBondContact O-N 2.97Å; W184-C188 WeakPolarHBondContact O-CB 3.46Å; W184-C188 PolarHBondContact O-N 3.4Å; W184-C188 PolarHBondContact O-SG 2.94Å; W184-C238 HydrophobicContact CH2-CB 3.63Å; W184-C238 HydrophobicContact CZ2-CB 3.79Å; W184-C238 HydrophobicContact CZ3-CB 4.24Å; W184-L239 HydrophobicContact CH2-CD2 4.5Å; W184-L239 HydrophobicContact CZ2-CD2 3.68Å; W184-L239 HydrophobicContact CZ2-CG 4.11Å; W184-L353 PolarHBondContact NE1-O 2.96Å; W184-L353 VanDerWaalsContact NE1-O 3.08Å |
| 185 | K | 88.4 | Confident | 90.7 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 23% | 0.226 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 176.8 | 166.7 | 165.2 | 64.3 | -160.8 | 0 | 111.4 | K181 S182 C188 L189 V349 D350 I354 | K181-K185 PolarHBondContact O-N 2.9Å; K181-K185 VanDerWaalsContact O-N 3.12Å; S182-K185 WeakPolarHBondContact O-CB 3.41Å; S182-K185 PolarHBondContact O-N 3.39Å; S182-K185 VanDerWaalsContact O-N 3.11Å; K185-C188 WeakPolarHBondContact O-CB 3.36Å; K185-C188 PolarHBondContact O-N 2.97Å; K185-L189 HydrophobicContact CG-CD1 3.97Å; K185-L189 WeakPolarHBondContact O-CG 3.44Å; K185-L189 PolarHBondContact O-N 2.75Å; K185-V349 HydrophobicContact CD-CB 3.8Å; K185-V349 HydrophobicContact CD-CG1 3.53Å; K185-V349 HydrophobicContact CD-CG2 4.49Å; K185-V349 HydrophobicContact CG-CB 4.42Å; K185-V349 HydrophobicContact CG-CG1 3.61Å; K185-D350 WeakPolarHBondContact CD-OD1 3.43Å; K185-D350 IonicContact NZ-OD1 3.83Å; K185-D350 PolarHBondContact NZ-OD1 3.43Å; K185-D350 IonicContact NZ-OD2 3.25Å; K185-D350 PolarHBondContact NZ-OD2 3.35Å; K185-I354 HydrophobicContact CB-CD1 4.38Å |
| 186 | E | 89.9 | Confident | 90.9 | Very high | 21 Ų | 21 | 25.9 Ų | 25.9 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | -178.4 | -66.3 | 166.7 | -152.5 | 0 | 0 | 111.6 | S182 D183 W184 C188 L189 S190 I337 V340 Q341 | S182-E186 WeakPolarHBondContact O-CG 3.39Å; S182-E186 PolarHBondContact O-N 3.48Å; S182-E186 PolarHBondContact OG-OE1 3.39Å; D183-E186 PolarHBondContact O-N 3.31Å; W184-E186 VanDerWaalsContact C-N 3.34Å; W184-E186 PolarHBondContact O-N 3.12Å; E186-C188 PolarHBondContact O-N 3.3Å; E186-L189 PolarHBondContact O-N 2.76Å; E186-S190 VanDerWaalsContact O-CB 3.29Å; E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 3.16Å; E186-I337 HydrophobicContact CB-CG2 4.09Å; E186-V340 HydrophobicContact CB-CG2 3.95Å; E186-V340 HydrophobicContact CG-CG2 4.34Å; E186-V340 WeakPolarHBondContact O-CG2 3.3Å; E186-Q341 HydrophobicContact CG-CG 4.1Å; E186-Q341 WeakPolarHBondContact OE2-CG 3.43Å; E186-Q341 PolarHBondContact OE2-NE2 3.28Å |
| 187 | H | 93.9 | Very high | 90.8 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 15% | 0.148 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 174.9 | -85.7 | -115.9 | 0 | 0 | 0 | 112.2 | I178 D183 W184 L189 S190 W237 Y265 I337 | I178-H187 HydrophobicContact CD1-CB 3.61Å; D183-H187 WeakPolarHBondContact O-CB 3.22Å; D183-H187 PolarHBondContact O-CD2 3.48Å; D183-H187 PolarHBondContact O-N 3.12Å; W184-H187 PolarHBondContact O-N 2.97Å; H187-L189 PolarHBondContact O-N 2.97Å; H187-S190 PolarHBondContact O-N 3.41Å; H187-S190 PolarHBondContact O-OG 2.92Å; H187-W237 PolarHBondContact O-NE1 3.1Å; H187-Y265 AromaticContact ND1-CZ 3.9Å; H187-Y265 PolarHBondContact ND1-OH 3.21Å; H187-I337 WeakPolarHBondContact NE2-CD1 3.25Å |
| 188 | C | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.2 | -50.6 | 175.8 | -70.4 | 0 | 0 | 0 | 0 | 111.3 | W184 K185 E186 S190 A235 W237 L353 | W184-C188 WeakPolarHBondContact O-CB 3.46Å; W184-C188 PolarHBondContact O-N 3.4Å; W184-C188 PolarHBondContact O-SG 2.94Å; K185-C188 WeakPolarHBondContact O-CB 3.36Å; K185-C188 PolarHBondContact O-N 2.97Å; E186-C188 PolarHBondContact O-N 3.3Å; C188-S190 VanDerWaalsContact C-N 3.33Å; C188-S190 PolarHBondContact O-N 3.13Å; C188-A235 HydrophobicContact CB-CB 4.24Å; C188-A235 VanDerWaalsContact CB-O 3.26Å; C188-A235 WeakPolarHBondContact CB-O 3.42Å; C188-A235 WeakPolarHBondContact O-CA 3.43Å; C188-W237 VanDerWaalsContact O-CD1 3.24Å; C188-W237 PolarHBondContact O-NE1 3.15Å; C188-L353 HydrophobicContact CB-CD1 3.68Å |
| 189 | L | 93.7 | Very high | 90.6 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 12% | 0.12 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.9 | -26.9 | -177.7 | -67.9 | 169.9 | 0 | 0 | 0 | 113.6 | K185 E186 H187 L191 A235 V340 V345 F347 V349 | K185-L189 HydrophobicContact CG-CD1 3.97Å; K185-L189 WeakPolarHBondContact O-CG 3.44Å; K185-L189 PolarHBondContact O-N 2.75Å; E186-L189 PolarHBondContact O-N 2.76Å; H187-L189 PolarHBondContact O-N 2.97Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 2.75Å; L189-A235 HydrophobicContact CD2-CB 4.01Å; L189-V340 HydrophobicContact CB-CB 4.03Å; L189-V340 HydrophobicContact CB-CG1 3.87Å; L189-V340 HydrophobicContact CB-CG2 4.23Å; L189-V345 HydrophobicContact CD1-CG2 4.37Å; L189-F347 HydrophobicContact CD2-CZ 4.28Å; L189-V349 HydrophobicContact CD1-CG1 4.28Å |
| 190 | S | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.6 | -17.2 | -170.2 | 70.4 | 0 | 0 | 0 | 0 | 115.7 | E186 H187 C188 E192 E193 L194 Y265 | E186-S190 VanDerWaalsContact O-CB 3.29Å; E186-S190 WeakPolarHBondContact O-CB 3.43Å; E186-S190 PolarHBondContact O-N 3.16Å; H187-S190 PolarHBondContact O-N 3.41Å; H187-S190 PolarHBondContact O-OG 2.92Å; C188-S190 VanDerWaalsContact C-N 3.33Å; C188-S190 PolarHBondContact O-N 3.13Å; S190-E192 VanDerWaalsContact C-N 3.27Å; S190-E192 PolarHBondContact O-N 3.29Å; S190-E193 PolarHBondContact O-N 3.5Å; S190-L194 VanDerWaalsContact O-CB 3.29Å; S190-L194 WeakPolarHBondContact O-CB 3.3Å; S190-L194 PolarHBondContact O-N 2.96Å; S190-Y265 VanDerWaalsContact OG-CE1 3.3Å; S190-Y265 WeakPolarHBondContact OG-CE1 3.47Å; S190-Y265 PolarHBondContact OG-OH 3.2Å; S190-Y265 VanDerWaalsContact OG-OH 3.12Å |
| 191 | L | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -38.7 | -177.8 | -174.5 | 72.5 | 0 | 0 | 0 | 111.9 | L189 A195 W237 Y265 L269 | L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 2.75Å; L191-A195 WeakPolarHBondContact O-CB 3.41Å; L191-A195 PolarHBondContact O-N 3.2Å; L191-W237 HydrophobicContact CB-CD2 4.21Å; L191-W237 HydrophobicContact CB-CG 4.08Å; L191-W237 HydrophobicContact CD1-CD2 4.28Å; L191-W237 HydrophobicContact CD2-CB 3.65Å; L191-W237 HydrophobicContact CD2-CD2 3.91Å; L191-W237 HydrophobicContact CD2-CG 3.5Å; L191-W237 VanDerWaalsContact CD2-CG 3.5Å; L191-W237 HydrophobicContact CG-CD2 4.35Å; L191-W237 HydrophobicContact CG-CG 4.26Å; L191-Y265 HydrophobicContact CD1-CD1 4.25Å; L191-L269 HydrophobicContact CD1-CD2 3.84Å; L191-L269 HydrophobicContact CD1-CG 3.84Å; L191-L269 HydrophobicContact CG-CD2 4.31Å |
| 192 | E | 93.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -52.8 | 177.4 | 179.3 | -179.3 | 166.6 | 0 | 0 | 111.2 | S190 L194 A195 Y196 R230 R231 L234 | S190-E192 VanDerWaalsContact C-N 3.27Å; S190-E192 PolarHBondContact O-N 3.29Å; E192-L194 VanDerWaalsContact C-N 3.25Å; E192-L194 PolarHBondContact O-N 2.88Å; E192-A195 WeakPolarHBondContact O-CA 3.3Å; E192-A195 VanDerWaalsContact O-CB 3.31Å; E192-A195 WeakPolarHBondContact O-CB 3.4Å; E192-A195 PolarHBondContact O-N 3.06Å; E192-Y196 HydrophobicContact CG-CD2 4.28Å; E192-Y196 HydrophobicContact CG-CE2 3.6Å; E192-Y196 WeakPolarHBondContact O-CD2 3.5Å; E192-Y196 PolarHBondContact O-N 3.44Å; E192-Y196 VanDerWaalsContact O-N 3.17Å; E192-Y196 VanDerWaalsContact OE1-CE2 3.31Å; E192-Y196 WeakPolarHBondContact OE1-CE2 3.41Å; E192-Y196 PolarHBondContact OE1-OH 2.93Å; E192-Y196 VanDerWaalsContact OE1-OH 3.07Å; E192-R230 IonicContact OE1-CZ 3.6Å; E192-R230 IonicContact OE1-NH1 3.33Å; E192-R230 PolarHBondContact OE1-NH1 2.94Å; E192-R230 IonicContact OE1-NH2 2.63Å; E192-R230 PolarHBondContact OE1-NH2 3.29Å; E192-R230 IonicContact OE2-CZ 3.25Å; E192-R230 IonicContact OE2-NH1 3.58Å; E192-R230 PolarHBondContact OE2-NH1 2.92Å; E192-R230 IonicContact OE2-NH2 3.78Å; E192-R230 PolarHBondContact OE2-NH2 3.33Å; E192-R231 WeakPolarHBondContact OE2-CG 3.48Å; E192-L234 HydrophobicContact CB-CD1 3.92Å; E192-L234 HydrophobicContact CG-CD1 4.05Å |
| 193 | E | 93.6 | Very high | 91 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | -179.5 | -69.9 | -56.2 | 142.5 | 0 | 0 | 111.1 | S190 A195 Y196 L197 R203 A336 V340 L343 | S190-E193 PolarHBondContact O-N 3.5Å; E193-A195 VanDerWaalsContact C-N 3.3Å; E193-A195 PolarHBondContact O-N 3.35Å; E193-Y196 PolarHBondContact O-N 3Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 3.3Å; E193-R203 IonicContact OE1-NH2 3.56Å; E193-R203 PolarHBondContact OE1-NH2 3.14Å; E193-R203 IonicContact OE2-NH2 2.76Å; E193-A336 HydrophobicContact CB-CB 4.09Å; E193-V340 HydrophobicContact CG-CG1 3.93Å; E193-L343 HydrophobicContact CG-CD1 3.98Å |
| 194 | L | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.4 | -39 | 172.6 | -175.3 | 63.4 | 0 | 0 | 0 | 112 | S190 E192 Y196 L197 C198 Y265 L269 V328 K332 I333 A336 | S190-L194 VanDerWaalsContact O-CB 3.29Å; S190-L194 WeakPolarHBondContact O-CB 3.3Å; S190-L194 PolarHBondContact O-N 2.96Å; E192-L194 VanDerWaalsContact C-N 3.25Å; E192-L194 PolarHBondContact O-N 2.88Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 3.43Å; L194-L197 PolarHBondContact O-N 3.35Å; L194-C198 VanDerWaalsContact O-CB 3.3Å; L194-C198 WeakPolarHBondContact O-CB 3.42Å; L194-C198 PolarHBondContact O-N 3.33Å; L194-C198 PolarHBondContact O-SG 3.34Å; L194-Y265 HydrophobicContact CD2-CD1 3.46Å; L194-Y265 VanDerWaalsContact CD2-CD1 3.46Å; L194-Y265 HydrophobicContact CD2-CE1 4.26Å; L194-Y265 HydrophobicContact CD2-CG 3.95Å; L194-L269 HydrophobicContact CD2-CD1 4.01Å; L194-L269 HydrophobicContact CG-CD1 4.2Å; L194-V328 HydrophobicContact CD2-CG1 4.23Å; L194-K332 HydrophobicContact CD1-CB 4.11Å; L194-I333 HydrophobicContact CD1-CG1 4.04Å; L194-I333 HydrophobicContact CD2-CG1 3.89Å; L194-A336 HydrophobicContact CB-CB 3.92Å; L194-A336 HydrophobicContact CD1-CB 4.5Å |
| 195 | A | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L191 E192 E193 L200 L201 L269 L272 | L191-A195 WeakPolarHBondContact O-CB 3.41Å; L191-A195 PolarHBondContact O-N 3.2Å; E192-A195 WeakPolarHBondContact O-CA 3.3Å; E192-A195 VanDerWaalsContact O-CB 3.31Å; E192-A195 WeakPolarHBondContact O-CB 3.4Å; E192-A195 PolarHBondContact O-N 3.06Å; E193-A195 VanDerWaalsContact C-N 3.3Å; E193-A195 PolarHBondContact O-N 3.35Å; A195-L200 WeakPolarHBondContact O-CA 3.19Å; A195-L200 WeakPolarHBondContact O-CB 3.31Å; A195-L200 PolarHBondContact O-N 3.03Å; A195-L201 HydrophobicContact CB-CB 4.36Å; A195-L201 HydrophobicContact CB-CD1 3.73Å; A195-L201 HydrophobicContact CB-CG 3.79Å; A195-L201 PolarHBondContact O-N 3.44Å; A195-L201 VanDerWaalsContact O-N 3.13Å; A195-L269 HydrophobicContact CB-CD2 3.62Å; A195-L272 HydrophobicContact CB-CD2 4.21Å |
| 196 | Y | 92.3 | Very high | 88.1 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 12% | 0.122 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -49.4 | 170.3 | -63.3 | -55 | 0 | 0 | 0 | 111.7 | E192 E193 L194 C198 N199 L201 R203 I210 | E192-Y196 HydrophobicContact CG-CD2 4.28Å; E192-Y196 HydrophobicContact CG-CE2 3.6Å; E192-Y196 WeakPolarHBondContact O-CD2 3.5Å; E192-Y196 PolarHBondContact O-N 3.44Å; E192-Y196 VanDerWaalsContact O-N 3.17Å; E192-Y196 VanDerWaalsContact OE1-CE2 3.31Å; E192-Y196 WeakPolarHBondContact OE1-CE2 3.41Å; E192-Y196 PolarHBondContact OE1-OH 2.93Å; E192-Y196 VanDerWaalsContact OE1-OH 3.07Å; E193-Y196 PolarHBondContact O-N 3Å; L194-Y196 VanDerWaalsContact C-N 3.31Å; L194-Y196 PolarHBondContact O-N 3.43Å; Y196-C198 PolarHBondContact O-N 3.16Å; Y196-N199 PolarHBondContact O-N 3.09Å; Y196-L201 HydrophobicContact CD1-CB 3.6Å; Y196-L201 HydrophobicContact CE1-CB 3.56Å; Y196-L201 HydrophobicContact CE1-CD1 4.38Å; Y196-R203 HydrophobicContact CD1-CG 4.41Å; Y196-R203 HydrophobicContact CE1-CG 3.67Å; Y196-R203 HydrophobicContact CE2-CG 4.31Å; Y196-I210 WeakPolarHBondContact OH-CG2 3.34Å |
| 197 | L | 93.6 | Very high | 86.9 | Confident | 45 Ų | 45 | 52 Ų | 52 | 24% | 0.236 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -28 | 179.7 | -69.7 | 176.9 | 0 | 0 | 0 | 113.3 | E193 L194 N199 K332 Q335 A336 | E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 3.3Å; L194-L197 PolarHBondContact O-N 3.35Å; L197-N199 VanDerWaalsContact C-N 3.31Å; L197-K332 PolarHBondContact O-NZ 2.91Å; L197-Q335 HydrophobicContact CD1-CB 4.05Å; L197-Q335 HydrophobicContact CD1-CG 3.91Å; L197-A336 HydrophobicContact CD1-CB 4.04Å |
| 198 | C | 92.4 | Very high | 85.4 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 6.4 | 175.8 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | L194 Y196 L200 G327 | L194-C198 VanDerWaalsContact O-CB 3.3Å; L194-C198 WeakPolarHBondContact O-CB 3.42Å; L194-C198 PolarHBondContact O-N 3.33Å; L194-C198 PolarHBondContact O-SG 3.34Å; Y196-C198 PolarHBondContact O-N 3.16Å; C198-L200 PolarHBondContact O-N 3.01Å; C198-G327 PolarHBondContact SG-O 3.5Å |
| 199 | N | 89.2 | Confident | 84 | Confident | 119 Ų | 119 | 59 Ų | 59 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38.4 | -175.6 | -63.6 | -42 | 0 | 0 | 0 | 112.4 | Y196 L197 T213 | Y196-N199 PolarHBondContact O-N 3.09Å; L197-N199 VanDerWaalsContact C-N 3.31Å; N199-T213 VanDerWaalsContact C-OG1 3.25Å; N199-T213 WeakPolarHBondContact O-CB 3.34Å; N199-T213 PolarHBondContact O-OG1 2.9Å |
| 200 | L | 88.9 | Confident | 83.2 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -100.2 | -27.6 | 177.7 | -159.4 | 136.2 | 0 | 0 | 0 | 111.5 | A195 C198 T213 K273 L325 | A195-L200 WeakPolarHBondContact O-CA 3.19Å; A195-L200 WeakPolarHBondContact O-CB 3.31Å; A195-L200 PolarHBondContact O-N 3.03Å; C198-L200 PolarHBondContact O-N 3.01Å; L200-T213 WeakPolarHBondContact CA-OG1 3.48Å; L200-T213 PolarHBondContact O-N 2.66Å; L200-T213 PolarHBondContact O-OG1 3.32Å; L200-K273 HydrophobicContact CD1-CD 4.47Å; L200-K273 HydrophobicContact CD2-CB 4.13Å; L200-L325 HydrophobicContact CD1-CD2 3.82Å |
| 201 | L | 87.9 | Confident | 82.3 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 158.9 | 168.9 | -63.3 | -177.2 | 0 | 0 | 0 | 111.2 | A195 Y196 L211 L272 L276 | A195-L201 HydrophobicContact CB-CB 4.36Å; A195-L201 HydrophobicContact CB-CD1 3.73Å; A195-L201 HydrophobicContact CB-CG 3.79Å; A195-L201 PolarHBondContact O-N 3.44Å; A195-L201 VanDerWaalsContact O-N 3.13Å; Y196-L201 HydrophobicContact CD1-CB 3.6Å; Y196-L201 HydrophobicContact CE1-CB 3.56Å; Y196-L201 HydrophobicContact CE1-CD1 4.38Å; L201-L211 CarbonylContact C-O 3.58Å; L201-L211 WeakPolarHBondContact CA-O 3.42Å; L201-L272 HydrophobicContact CD1-CD2 4.23Å; L201-L276 HydrophobicContact CD2-CD1 3.54Å |
| 202 | R | 84.8 | Confident | 81.6 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.4 | 163.8 | -74.5 | 173.9 | -175.8 | -179.6 | 5.4 | 109.3 | L211 T213 | R202-L211 HydrophobicContact CB-CB 4.35Å; R202-L211 PolarHBondContact N-O 3.39Å; R202-L211 PolarHBondContact O-N 3Å; R202-T213 VanDerWaalsContact CD-CG2 3.46Å; R202-T213 HydrophobicContact CG-CG2 3.58Å |
| 203 | R | 79.2 | Confident | 80.6 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 50% | 0.502 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 129.6 | 169.7 | -66.2 | -177.1 | -176.3 | -178.4 | 0.5 | 108.2 | E193 Y196 | E193-R203 IonicContact OE1-NH2 3.56Å; E193-R203 PolarHBondContact OE1-NH2 3.14Å; E193-R203 IonicContact OE2-NH2 2.76Å; Y196-R203 HydrophobicContact CD1-CG 4.41Å; Y196-R203 HydrophobicContact CE1-CG 3.67Å; Y196-R203 HydrophobicContact CE2-CG 4.31Å |
| 204 | G | 72 | Confident | 79.3 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | trans | -70.6 | 171.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q206 T209 | G204-Q206 CarbonylContact O-C 3.52Å; G204-Q206 PolarHBondContact O-N 3.47Å; G204-Q206 VanDerWaalsContact O-N 3.14Å; G204-T209 PolarHBondContact N-O 3.48Å | ||
| 205 | N | 66.7 | Low | 77.5 | Confident | 183 Ų | 183 | 72.4 Ų | 72.4 | 98% | 0.979 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -58.3 | -28.1 | 178.8 | -66.5 | -4.4 | 0 | 0 | 0 | 112.4 | ||
| 206 | Q | 63.2 | Low | 75.5 | Confident | 132 Ų | 132 | 75.7 Ų | 75.7 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -98.7 | 132.2 | 168.2 | -60.2 | -173.8 | 8.2 | 0 | 0 | 109.1 | G204 R208 T209 | G204-Q206 CarbonylContact O-C 3.52Å; G204-Q206 PolarHBondContact O-N 3.47Å; G204-Q206 VanDerWaalsContact O-N 3.14Å; Q206-R208 PolarHBondContact O-N 2.95Å; Q206-T209 PolarHBondContact O-N 3.43Å |
| 207 | K | 65.3 | Low | 73.1 | Confident | 164 Ų | 164 | 80.5 Ų | 80.5 | 71% | 0.713 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -21.1 | 177.5 | -71.4 | -177.5 | 177.4 | 179 | 0 | 114 | ||
| 208 | R | 62.4 | Low | 70.6 | Confident | 155 Ų | 155 | 85.5 Ų | 85.5 | 59% | 0.585 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.5 | 179.3 | -64.7 | -179.2 | 179.2 | 170.7 | 0.3 | 115.1 | Q206 C225 | Q206-R208 PolarHBondContact O-N 2.95Å; R208-C225 PolarHBondContact O-N 3.32Å |
| 209 | T | 64.1 | Low | 68.9 | Low | 24 Ų | 24 | 93.8 Ų | 93.8 | 15% | 0.147 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.5 | -177.1 | -53.8 | 0 | 0 | 0 | 0 | 110 | G204 Q206 L211 | G204-T209 PolarHBondContact N-O 3.48Å; Q206-T209 PolarHBondContact O-N 3.43Å; T209-L211 HydrophobicContact CG2-CD2 4.31Å; T209-L211 HydrophobicContact CG2-CG 4.35Å |
| 210 | I | 77.4 | Confident | 67.6 | Low | 1 Ų | 1 | 92.8 Ų | 92.8 | 1% | 0.005 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.5 | 167.1 | 55.1 | 160.8 | 0 | 0 | 0 | 110.1 | Y196 A223 R230 L276 F301 | Y196-I210 WeakPolarHBondContact OH-CG2 3.34Å; I210-A223 HydrophobicContact CG1-CB 4.26Å; I210-A223 PolarHBondContact N-O 2.96Å; I210-A223 VanDerWaalsContact N-O 3.14Å; I210-A223 PolarHBondContact O-N 3.35Å; I210-A223 VanDerWaalsContact O-N 3.07Å; I210-R230 HydrophobicContact CD1-CG 4.37Å; I210-L276 HydrophobicContact CD1-CD1 4.15Å; I210-L276 HydrophobicContact CD1-CD2 3.87Å; I210-F301 HydrophobicContact CD1-CD2 3.89Å; I210-F301 HydrophobicContact CD1-CE2 3.69Å; I210-F301 HydrophobicContact CD1-CZ 4.4Å |
| 211 | L | 77.3 | Confident | 66.7 | Low | 40 Ų | 40 | 94.3 Ų | 94.3 | 21% | 0.209 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.2 | -177.8 | -64.7 | 163.6 | 0 | 0 | 0 | 109.1 | L201 R202 T209 N220 | L201-L211 CarbonylContact C-O 3.58Å; L201-L211 WeakPolarHBondContact CA-O 3.42Å; R202-L211 HydrophobicContact CB-CB 4.35Å; R202-L211 PolarHBondContact N-O 3.39Å; R202-L211 PolarHBondContact O-N 3Å; T209-L211 HydrophobicContact CG2-CD2 4.31Å; T209-L211 HydrophobicContact CG2-CG 4.35Å; L211-N220 HydrophobicContact CD2-CB 4.27Å |
| 212 | L | 79.2 | Confident | 66 | Low | 11 Ų | 11 | 96.3 Ų | 96.3 | 6% | 0.058 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128 | 173.4 | -156.3 | 147.2 | 0 | 0 | 0 | 109.7 | S214 V221 K273 L276 | L212-S214 PolarHBondContact O-N 3Å; L212-V221 HydrophobicContact CB-CB 4.45Å; L212-V221 PolarHBondContact N-O 3.5Å; L212-K273 HydrophobicContact CD1-CG 4.15Å; L212-K273 HydrophobicContact CD2-CG 4.27Å; L212-L276 HydrophobicContact CD1-CB 3.24Å; L212-L276 HydrophobicContact CD1-CD1 3.77Å; L212-L276 HydrophobicContact CD1-CG 4.14Å |
| 213 | T | 73.7 | Confident | 65.3 | Low | 23 Ų | 23 | 89.2 Ų | 89.2 | 14% | 0.141 | 45% | 0.449 | C | S | . | . | trans | -75.8 | 113.7 | 179.7 | 29.6 | 0 | 0 | 0 | 0 | 111.5 | N199 L200 R202 | N199-T213 VanDerWaalsContact C-OG1 3.25Å; N199-T213 WeakPolarHBondContact O-CB 3.34Å; N199-T213 PolarHBondContact O-OG1 2.9Å; L200-T213 WeakPolarHBondContact CA-OG1 3.48Å; L200-T213 PolarHBondContact O-N 2.66Å; L200-T213 PolarHBondContact O-OG1 3.32Å; R202-T213 VanDerWaalsContact CD-CG2 3.46Å; R202-T213 HydrophobicContact CG-CG2 3.58Å | ||
| 214 | S | 66.7 | Low | 65 | Low | 52 Ų | 52 | 86.4 Ų | 86.4 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | trans | -88.7 | 148 | 168.7 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L212 S216 | L212-S214 PolarHBondContact O-N 3Å; S214-S216 WeakPolarHBondContact CB-O 3.49Å; S214-S216 PolarHBondContact OG-N 3.41Å; S214-S216 VanDerWaalsContact OG-N 3.16Å; S214-S216 PolarHBondContact OG-O 3.03Å | ||
| 215 | K | 58.1 | Low | 65.1 | Low | 208 Ų | 208 | 86.6 Ų | 86.6 | 90% | 0.904 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -89.6 | -13.3 | 170.9 | -79 | -169.2 | 174.1 | -170.8 | 0 | 113.1 | ||
| 216 | S | 50.7 | Low | 65.7 | Low | 69 Ų | 69 | 85 Ų | 85 | 48% | 0.483 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -118.2 | 153.9 | 178.2 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | S214 E218 | S214-S216 WeakPolarHBondContact CB-O 3.49Å; S214-S216 PolarHBondContact OG-N 3.41Å; S214-S216 VanDerWaalsContact OG-N 3.16Å; S214-S216 PolarHBondContact OG-O 3.03Å; S216-E218 PolarHBondContact O-N 3.21Å |
| 217 | S | 42.5 | Very low | 66.6 | Low | 132 Ų | 132 | 80.8 Ų | 80.8 | 92% | 0.923 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -59 | 11.8 | -178.6 | 49.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 218 | E | 41.8 | Very low | 67.3 | Low | 150 Ų | 150 | 75.5 Ų | 75.5 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -91.2 | 109.4 | 178.6 | -70.1 | -179.8 | 156.6 | 0 | 0 | 110.5 | S216 | S216-E218 PolarHBondContact O-N 3.21Š|
| 219 | K | 55.5 | Low | 68.3 | Low | 192 Ų | 192 | 73.1 Ų | 73.1 | 84% | 0.835 | 39% | 0.386 | S | S | * | . | trans | 23.9 | 100.5 | 163.3 | -65 | -177.8 | 179.5 | -180 | 0 | 115.2 | V221 | K219-V221 PolarHBondContact O-N 3.12Å; K219-V221 VanDerWaalsContact O-N 3.07Å | ||
| 220 | N | 62.5 | Low | 69.4 | Low | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 38% | 0.379 | S | S | . | . | trans | -48.7 | 119.2 | 164 | -72 | -35.1 | 0 | 0 | 0 | 109 | L211 S222 | L211-N220 HydrophobicContact CD2-CB 4.27Å; N220-S222 PolarHBondContact O-N 3.12Å | ||
| 221 | V | 70.3 | Confident | 69.9 | Low | 45 Ų | 45 | 73.3 Ų | 73.3 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | trans | -78.1 | 114.4 | 175.2 | -171.9 | 0 | 0 | 0 | 0 | 107.3 | L212 K219 L276 | L212-V221 HydrophobicContact CB-CB 4.45Å; L212-V221 PolarHBondContact N-O 3.5Å; K219-V221 PolarHBondContact O-N 3.12Å; K219-V221 VanDerWaalsContact O-N 3.07Å; V221-L276 WeakPolarHBondContact CG1-O 3.34Å | ||
| 222 | S | 71.9 | Confident | 70.4 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.7 | 176.3 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | N220 | N220-S222 PolarHBondContact O-N 3.12Å |
| 223 | A | 71.8 | Confident | 71 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 2% | 0.017 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | I210 L276 F301 | I210-A223 HydrophobicContact CG1-CB 4.26Å; I210-A223 PolarHBondContact N-O 2.96Å; I210-A223 VanDerWaalsContact N-O 3.14Å; I210-A223 PolarHBondContact O-N 3.35Å; I210-A223 VanDerWaalsContact O-N 3.07Å; A223-L276 HydrophobicContact CB-CD2 3.87Å; A223-F301 HydrophobicContact CB-CB 4.07Å; A223-F301 HydrophobicContact CB-CD2 4.2Å |
| 224 | T | 71.2 | Confident | 71.9 | Confident | 74 Ų | 74 | 72.9 Ų | 72.9 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.5 | 176 | -51.2 | 0 | 0 | 0 | 0 | 107.7 | ||
| 225 | C | 75.1 | Confident | 73.1 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | trans | -147.6 | 152.8 | 178.7 | -176 | 0 | 0 | 0 | 0 | 109.1 | R208 E227 R230 F301 | R208-C225 PolarHBondContact O-N 3.32Å; C225-E227 PolarHBondContact O-N 3.5Å; C225-R230 HydrophobicContact CB-CB 4.21Å; C225-F301 HydrophobicContact CB-CB 3.99Å | ||
| 226 | K | 79.3 | Confident | 74.8 | Confident | 150 Ų | 150 | 64.6 Ų | 64.6 | 65% | 0.652 | 34% | 0.335 | S | S | * | . | trans | -57.1 | 132.8 | 170.7 | -71.5 | -175.2 | 179.3 | -179.9 | 0 | 108.6 | D228 Q229 R230 | K226-D228 VanDerWaalsContact C-N 3.3Å; K226-D228 PolarHBondContact O-N 3.4Å; K226-Q229 HydrophobicContact CB-CB 4.11Å; K226-Q229 PolarHBondContact O-N 3.06Å; K226-Q229 VanDerWaalsContact O-N 3.16Å; K226-R230 WeakPolarHBondContact O-CB 3.39Å; K226-R230 PolarHBondContact O-N 3.48Å | ||
| 227 | E | 81.5 | Confident | 76.9 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.2 | -45.1 | -172.6 | -176.8 | 170.5 | -174.6 | 0 | 0 | 111.9 | C225 R230 R231 | C225-E227 PolarHBondContact O-N 3.5Å; E227-R230 PolarHBondContact O-N 3.1Å; E227-R231 WeakPolarHBondContact O-CB 3.35Å; E227-R231 WeakPolarHBondContact O-CG 3.45Å; E227-R231 PolarHBondContact O-N 2.88Å; E227-R231 IonicContact OE1-CZ 2.96Å; E227-R231 VanDerWaalsContact OE1-CZ 3.29Å; E227-R231 IonicContact OE1-NE 3.89Å; E227-R231 IonicContact OE1-NH2 3.92Å; E227-R231 PolarHBondContact OE1-NH2 3.26Å |
| 228 | D | 80.4 | Confident | 79.4 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 178.5 | -61.6 | -46.5 | 0 | 0 | 0 | 112.5 | K226 R230 R231 L232 F347 | K226-D228 VanDerWaalsContact C-N 3.3Å; K226-D228 PolarHBondContact O-N 3.4Å; D228-R230 VanDerWaalsContact C-N 3.33Å; D228-R230 PolarHBondContact O-N 2.95Å; D228-R231 PolarHBondContact O-N 3.15Å; D228-L232 VanDerWaalsContact O-CB 3.32Å; D228-L232 WeakPolarHBondContact O-CB 3.34Å; D228-L232 PolarHBondContact O-N 3.48Å; D228-F347 HydrophobicContact CB-CD1 4Å |
| 229 | Q | 83.4 | Confident | 81.8 | Confident | 105 Ų | 105 | 49 Ų | 49 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 178.4 | -175.1 | 171.7 | 8.4 | 0 | 0 | 111.5 | K226 Q233 | K226-Q229 HydrophobicContact CB-CB 4.11Å; K226-Q229 PolarHBondContact O-N 3.06Å; K226-Q229 VanDerWaalsContact O-N 3.16Å; Q229-Q233 WeakPolarHBondContact O-CB 3.44Å; Q229-Q233 WeakPolarHBondContact O-CG 3.36Å; Q229-Q233 PolarHBondContact O-N 3.04Å |
| 230 | R | 87 | Confident | 83.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -47.6 | 175.6 | -179.8 | -174.4 | 65.5 | 76.8 | 3 | 111.6 | E192 I210 C225 K226 E227 D228 L232 Q233 L234 F301 | E192-R230 IonicContact OE1-CZ 3.6Å; E192-R230 IonicContact OE1-NH1 3.33Å; E192-R230 PolarHBondContact OE1-NH1 2.94Å; E192-R230 IonicContact OE1-NH2 2.63Å; E192-R230 PolarHBondContact OE1-NH2 3.29Å; E192-R230 IonicContact OE2-CZ 3.25Å; E192-R230 IonicContact OE2-NH1 3.58Å; E192-R230 PolarHBondContact OE2-NH1 2.92Å; E192-R230 IonicContact OE2-NH2 3.78Å; E192-R230 PolarHBondContact OE2-NH2 3.33Å; I210-R230 HydrophobicContact CD1-CG 4.37Å; C225-R230 HydrophobicContact CB-CB 4.21Å; K226-R230 WeakPolarHBondContact O-CB 3.39Å; K226-R230 PolarHBondContact O-N 3.48Å; E227-R230 PolarHBondContact O-N 3.1Å; D228-R230 VanDerWaalsContact C-N 3.33Å; D228-R230 PolarHBondContact O-N 2.95Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 2.97Å; R230-Q233 PolarHBondContact O-N 3.13Å; R230-L234 HydrophobicContact CG-CD1 4.24Å; R230-L234 WeakPolarHBondContact O-CB 3.37Å; R230-L234 WeakPolarHBondContact O-CG 3.13Å; R230-L234 PolarHBondContact O-N 3.32Å; R230-F301 HydrophobicContact CB-CD1 4.41Å; R230-F301 HydrophobicContact CB-CE1 4.42Å; R230-F301 HydrophobicContact CG-CD1 4.07Å; R230-F301 HydrophobicContact CG-CE1 3.83Å; R230-F301 HydrophobicContact CG-CZ 4.22Å |
| 231 | R | 88.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 36 Ų | 36 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 175.9 | -83.3 | 178.3 | -175.2 | -176.4 | 4.9 | 111 | E192 E227 D228 L234 A235 Q344 F347 | E192-R231 WeakPolarHBondContact OE2-CG 3.48Å; E227-R231 WeakPolarHBondContact O-CB 3.35Å; E227-R231 WeakPolarHBondContact O-CG 3.45Å; E227-R231 PolarHBondContact O-N 2.88Å; E227-R231 IonicContact OE1-CZ 2.96Å; E227-R231 VanDerWaalsContact OE1-CZ 3.29Å; E227-R231 IonicContact OE1-NE 3.89Å; E227-R231 IonicContact OE1-NH2 3.92Å; E227-R231 PolarHBondContact OE1-NH2 3.26Å; D228-R231 PolarHBondContact O-N 3.15Å; R231-L234 PolarHBondContact O-N 2.83Å; R231-A235 VanDerWaalsContact O-CB 3.23Å; R231-A235 WeakPolarHBondContact O-CB 3.44Å; R231-A235 PolarHBondContact O-N 3.35Å; R231-Q344 PolarHBondContact NH1-O 3.11Å; R231-Q344 VanDerWaalsContact NH1-O 3.11Å; R231-F347 HydrophobicContact CB-CE1 3.98Å; R231-F347 HydrophobicContact CB-CZ 4.38Å |
| 232 | L | 88.3 | Confident | 86.5 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 178.4 | 176.6 | 58.9 | 0 | 0 | 0 | 112 | D228 R230 L234 A235 R236 F347 E352 L353 | D228-L232 VanDerWaalsContact O-CB 3.32Å; D228-L232 WeakPolarHBondContact O-CB 3.34Å; D228-L232 PolarHBondContact O-N 3.48Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 2.97Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.47Å; L232-A235 PolarHBondContact O-N 2.99Å; L232-R236 WeakPolarHBondContact O-CG 3.5Å; L232-R236 PolarHBondContact O-N 3.3Å; L232-F347 HydrophobicContact CB-CE1 4.23Å; L232-F347 HydrophobicContact CB-CE2 4.11Å; L232-F347 HydrophobicContact CB-CZ 3.94Å; L232-F347 HydrophobicContact CD1-CD2 4.2Å; L232-F347 HydrophobicContact CD1-CE2 3.76Å; L232-F347 HydrophobicContact CD1-CZ 4.36Å; L232-F347 HydrophobicContact CG-CE2 4.44Å; L232-E352 HydrophobicContact CD1-CB 3.69Å; L232-E352 HydrophobicContact CD1-CG 4.05Å; L232-E352 HydrophobicContact CD2-CG 4.25Å; L232-L353 HydrophobicContact CD1-CD2 4.18Å |
| 233 | Q | 90.1 | Very high | 87.5 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57 | -48.6 | 175.9 | -78.9 | -174.2 | 43.2 | 0 | 0 | 111.3 | Q229 R230 A235 R236 F301 Y303 | Q229-Q233 WeakPolarHBondContact O-CB 3.44Å; Q229-Q233 WeakPolarHBondContact O-CG 3.36Å; Q229-Q233 PolarHBondContact O-N 3.04Å; R230-Q233 PolarHBondContact O-N 3.13Å; Q233-A235 VanDerWaalsContact C-N 3.34Å; Q233-A235 PolarHBondContact O-N 3.09Å; Q233-R236 PolarHBondContact O-N 2.92Å; Q233-F301 HydrophobicContact CB-CE1 4.05Å; Q233-F301 PolarHBondContact OE1-O 2.66Å; Q233-Y303 WeakPolarHBondContact O-CD1 3.46Å |
| 234 | L | 92.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.8 | -73.4 | 175.6 | 0 | 0 | 0 | 112 | E192 R230 R231 L232 R236 W237 L272 F301 Y303 | E192-L234 HydrophobicContact CB-CD1 3.92Å; E192-L234 HydrophobicContact CG-CD1 4.05Å; R230-L234 HydrophobicContact CG-CD1 4.24Å; R230-L234 WeakPolarHBondContact O-CB 3.37Å; R230-L234 WeakPolarHBondContact O-CG 3.13Å; R230-L234 PolarHBondContact O-N 3.32Å; R231-L234 PolarHBondContact O-N 2.83Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.47Å; L234-R236 PolarHBondContact O-N 2.94Å; L234-W237 VanDerWaalsContact O-CB 3.28Å; L234-W237 WeakPolarHBondContact O-CB 3.42Å; L234-W237 PolarHBondContact O-N 3.35Å; L234-L272 HydrophobicContact CD2-CD1 3.51Å; L234-L272 HydrophobicContact CD2-CD2 3.82Å; L234-L272 HydrophobicContact CD2-CG 4.21Å; L234-F301 HydrophobicContact CD1-CZ 4.37Å; L234-F301 HydrophobicContact CD2-CZ 3.77Å; L234-F301 HydrophobicContact CG-CE1 4.27Å; L234-F301 HydrophobicContact CG-CZ 3.89Å; L234-Y303 HydrophobicContact CD2-CD1 4Å; L234-Y303 HydrophobicContact CD2-CD2 4.43Å; L234-Y303 HydrophobicContact CD2-CE1 4.22Å; L234-Y303 HydrophobicContact CD2-CG 4.07Å |
| 235 | A | 93.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -27.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C188 L189 R231 L232 Q233 W237 L353 | C188-A235 HydrophobicContact CB-CB 4.24Å; C188-A235 VanDerWaalsContact CB-O 3.26Å; C188-A235 WeakPolarHBondContact CB-O 3.42Å; C188-A235 WeakPolarHBondContact O-CA 3.43Å; L189-A235 HydrophobicContact CD2-CB 4.01Å; R231-A235 VanDerWaalsContact O-CB 3.23Å; R231-A235 WeakPolarHBondContact O-CB 3.44Å; R231-A235 PolarHBondContact O-N 3.35Å; L232-A235 PolarHBondContact O-N 2.99Å; Q233-A235 VanDerWaalsContact C-N 3.34Å; Q233-A235 PolarHBondContact O-N 3.09Å; A235-W237 PolarHBondContact O-N 2.9Å; A235-W237 VanDerWaalsContact O-N 3.15Å; A235-L353 HydrophobicContact CB-CD1 3.72Å; A235-L353 HydrophobicContact CB-CD2 4.22Å |
| 236 | R | 93.3 | Very high | 90.7 | Very high | 84 Ų | 84 | 34.3 Ų | 34.3 | 32% | 0.317 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -7.9 | 176.1 | -69.6 | 175.3 | 176.6 | -175 | 0.3 | 113.6 | L232 Q233 L234 C238 L239 L240 E352 L353 | L232-R236 WeakPolarHBondContact O-CG 3.5Å; L232-R236 PolarHBondContact O-N 3.3Å; Q233-R236 PolarHBondContact O-N 2.92Å; L234-R236 PolarHBondContact O-N 2.94Å; R236-C238 PolarHBondContact O-N 3.07Å; R236-C238 VanDerWaalsContact O-N 3.1Å; R236-L239 WeakPolarHBondContact O-CA 3.26Å; R236-L239 WeakPolarHBondContact O-CB 3.15Å; R236-L239 PolarHBondContact O-N 3.27Å; R236-L240 HydrophobicContact CB-CD1 4.07Å; R236-L240 HydrophobicContact CB-CG 4.15Å; R236-L240 WeakPolarHBondContact O-CG 3.48Å; R236-L240 PolarHBondContact O-N 3.38Å; R236-E352 IonicContact CZ-OE2 2.78Å; R236-E352 IonicContact NH2-OE2 2.82Å; R236-E352 PolarHBondContact NH2-OE2 3.3Å; R236-L353 HydrophobicContact CG-CD2 3.89Å |
| 237 | W | 95.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -50.4 | -38.4 | -179.6 | 78.4 | -80.7 | 0 | 0 | 0 | 114.1 | H187 C188 L191 L234 A235 L239 L240 L241 F264 Y265 Y303 | H187-W237 PolarHBondContact O-NE1 3.1Å; C188-W237 VanDerWaalsContact O-CD1 3.24Å; C188-W237 PolarHBondContact O-NE1 3.15Å; L191-W237 HydrophobicContact CB-CD2 4.21Å; L191-W237 HydrophobicContact CB-CG 4.08Å; L191-W237 HydrophobicContact CD1-CD2 4.28Å; L191-W237 HydrophobicContact CD2-CB 3.65Å; L191-W237 HydrophobicContact CD2-CD2 3.91Å; L191-W237 HydrophobicContact CD2-CG 3.5Å; L191-W237 VanDerWaalsContact CD2-CG 3.5Å; L191-W237 HydrophobicContact CG-CD2 4.35Å; L191-W237 HydrophobicContact CG-CG 4.26Å; L234-W237 VanDerWaalsContact O-CB 3.28Å; L234-W237 WeakPolarHBondContact O-CB 3.42Å; L234-W237 PolarHBondContact O-N 3.35Å; A235-W237 PolarHBondContact O-N 2.9Å; A235-W237 VanDerWaalsContact O-N 3.15Å; W237-L239 VanDerWaalsContact C-N 3.26Å; W237-L239 PolarHBondContact O-N 2.85Å; W237-L240 PolarHBondContact O-N 2.99Å; W237-L241 HydrophobicContact CE3-CD1 3.45Å; W237-L241 VanDerWaalsContact CE3-CD1 3.45Å; W237-L241 HydrophobicContact CE3-CG 4.16Å; W237-L241 HydrophobicContact CZ3-CD1 3.42Å; W237-L241 VanDerWaalsContact CZ3-CD1 3.42Å; W237-L241 WeakPolarHBondContact O-CG 3.28Å; W237-L241 PolarHBondContact O-N 3.33Å; W237-F264 HydrophobicContact CH2-CB 4.34Å; W237-F264 VanDerWaalsContact CZ3-C 3.49Å; W237-F264 HydrophobicContact CZ3-CB 3.92Å; W237-F264 WeakPolarHBondContact CZ3-O 3Å; W237-Y265 AromaticContact CH2-CD1 3.65Å; W237-Y265 HydrophobicContact CH2-CD1 3.65Å; W237-Y265 HydrophobicContact CH2-CD2 4.12Å; W237-Y265 AromaticContact CH2-CE1 3.75Å; W237-Y265 HydrophobicContact CH2-CE1 3.75Å; W237-Y265 HydrophobicContact CH2-CE2 4.21Å; W237-Y265 AromaticContact CH2-CG 3.85Å; W237-Y265 HydrophobicContact CH2-CG 3.85Å; W237-Y265 AromaticContact CZ2-CD1 3.69Å; W237-Y265 HydrophobicContact CZ2-CD1 3.69Å; W237-Y265 AromaticContact CZ2-CE1 3.42Å; W237-Y265 HydrophobicContact CZ2-CE1 3.42Å; W237-Y265 VanDerWaalsContact CZ2-CE1 3.42Å; W237-Y265 HydrophobicContact CZ2-CE2 4.48Å; W237-Y265 HydrophobicContact CZ2-CG 4.35Å; W237-Y265 AromaticContact CZ2-CZ 3.86Å; W237-Y303 HydrophobicContact CB-CE1 3.79Å |
| 238 | C | 94.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.6 | -33.3 | 178.3 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | W184 R236 W242 | W184-C238 HydrophobicContact CH2-CB 3.63Å; W184-C238 HydrophobicContact CZ2-CB 3.79Å; W184-C238 HydrophobicContact CZ3-CB 4.24Å; R236-C238 PolarHBondContact O-N 3.07Å; R236-C238 VanDerWaalsContact O-N 3.1Å; C238-W242 PolarHBondContact O-NE1 3.02Å |
| 239 | L | 93 | Very high | 92.9 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -82.2 | -45.9 | 176 | -61.9 | 168.1 | 0 | 0 | 0 | 110.4 | M112 L113 W184 R236 W237 L241 W242 | M112-L239 HydrophobicContact CB-CD1 4.44Å; M112-L239 HydrophobicContact CB-CD2 4.38Å; M112-L239 HydrophobicContact SD-CD1 4.06Å; L113-L239 HydrophobicContact CB-CD2 3.99Å; L113-L239 HydrophobicContact CD2-CD2 4.34Å; W184-L239 HydrophobicContact CH2-CD2 4.5Å; W184-L239 HydrophobicContact CZ2-CD2 3.68Å; W184-L239 HydrophobicContact CZ2-CG 4.11Å; R236-L239 WeakPolarHBondContact O-CA 3.26Å; R236-L239 WeakPolarHBondContact O-CB 3.15Å; R236-L239 PolarHBondContact O-N 3.27Å; W237-L239 VanDerWaalsContact C-N 3.26Å; W237-L239 PolarHBondContact O-N 2.85Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 2.85Å; L239-W242 PolarHBondContact O-N 2.98Å |
| 240 | L | 94.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 7% | 0.068 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.4 | -28.2 | -172.6 | -63.2 | -179 | 0 | 0 | 0 | 113.4 | R236 W237 W242 K243 E305 F308 | R236-L240 HydrophobicContact CB-CD1 4.07Å; R236-L240 HydrophobicContact CB-CG 4.15Å; R236-L240 WeakPolarHBondContact O-CG 3.48Å; R236-L240 PolarHBondContact O-N 3.38Å; W237-L240 PolarHBondContact O-N 2.99Å; L240-W242 PolarHBondContact O-N 3.41Å; L240-W242 VanDerWaalsContact O-N 3.12Å; L240-K243 VanDerWaalsContact O-CB 3.31Å; L240-K243 WeakPolarHBondContact O-CB 3.49Å; L240-K243 PolarHBondContact O-N 3.47Å; L240-E305 HydrophobicContact CD2-CB 3.8Å; L240-E305 HydrophobicContact CD2-CG 4.17Å; L240-F308 HydrophobicContact CB-CB 4.44Å; L240-F308 HydrophobicContact CB-CD1 3.84Å; L240-F308 HydrophobicContact CB-CD2 3.71Å; L240-F308 HydrophobicContact CB-CE1 3.85Å; L240-F308 HydrophobicContact CB-CE2 3.73Å; L240-F308 HydrophobicContact CB-CG 3.75Å; L240-F308 HydrophobicContact CB-CZ 3.78Å; L240-F308 HydrophobicContact CD1-CD2 4Å; L240-F308 HydrophobicContact CD1-CE2 3.74Å; L240-F308 HydrophobicContact CD1-CZ 4.39Å; L240-F308 HydrophobicContact CG-CD2 4.46Å; L240-F308 HydrophobicContact CG-CE2 4.41Å; L240-F308 WeakPolarHBondContact O-CB 3.46Å; L240-F308 WeakPolarHBondContact O-CD1 2.93Å |
| 241 | L | 96.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -53.1 | -34.9 | 175.7 | -88.6 | 177 | 0 | 0 | 0 | 112.7 | W237 L239 K243 L244 L249 F264 A267 I271 F308 | W237-L241 HydrophobicContact CE3-CD1 3.45Å; W237-L241 VanDerWaalsContact CE3-CD1 3.45Å; W237-L241 HydrophobicContact CE3-CG 4.16Å; W237-L241 HydrophobicContact CZ3-CD1 3.42Å; W237-L241 VanDerWaalsContact CZ3-CD1 3.42Å; W237-L241 WeakPolarHBondContact O-CG 3.28Å; W237-L241 PolarHBondContact O-N 3.33Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 2.85Å; L241-K243 PolarHBondContact O-N 3.13Å; L241-L244 HydrophobicContact CD2-CD1 3.8Å; L241-L244 WeakPolarHBondContact O-CB 3.37Å; L241-L244 WeakPolarHBondContact O-CD1 3.31Å; L241-L244 VanDerWaalsContact O-CG 3.25Å; L241-L244 WeakPolarHBondContact O-CG 3.35Å; L241-L244 PolarHBondContact O-N 2.95Å; L241-L249 VanDerWaalsContact O-CD2 3.28Å; L241-L249 WeakPolarHBondContact O-CD2 3.5Å; L241-F264 HydrophobicContact CD1-CB 3.71Å; L241-F264 HydrophobicContact CD1-CD1 4.4Å; L241-F264 HydrophobicContact CD1-CG 4.37Å; L241-A267 HydrophobicContact CD2-CB 3.66Å; L241-I271 HydrophobicContact CD2-CD1 4.14Å; L241-F308 HydrophobicContact CD2-CD1 4.46Å; L241-F308 HydrophobicContact CD2-CE1 3.96Å; L241-F308 HydrophobicContact CG-CE1 4.07Å |
| 242 | W | 95.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -79.1 | -1.2 | -179.3 | -52.4 | 100.1 | 0 | 0 | 0 | 114 | L113 Q146 P149 L150 L153 C238 L239 L240 L249 I253 F264 | L113-W242 HydrophobicContact CD1-CB 3.44Å; L113-W242 VanDerWaalsContact CD1-CB 3.44Å; L113-W242 HydrophobicContact CD1-CD2 4.43Å; L113-W242 HydrophobicContact CD1-CG 3.44Å; L113-W242 VanDerWaalsContact CD1-CG 3.44Å; L113-W242 HydrophobicContact CD2-CG 4.42Å; Q146-W242 HydrophobicContact CB-CZ2 4.39Å; Q146-W242 HydrophobicContact CG-CZ2 4.35Å; P149-W242 HydrophobicContact CB-CD2 3.76Å; P149-W242 HydrophobicContact CB-CE3 3.46Å; P149-W242 VanDerWaalsContact CB-CE3 3.46Å; P149-W242 HydrophobicContact CB-CG 4.29Å; P149-W242 HydrophobicContact CB-CH2 4.42Å; P149-W242 HydrophobicContact CB-CZ3 3.81Å; P149-W242 HydrophobicContact CG-CD2 3.64Å; P149-W242 HydrophobicContact CG-CE3 3.76Å; P149-W242 HydrophobicContact CG-CG 4.18Å; P149-W242 HydrophobicContact CG-CH2 4.07Å; P149-W242 HydrophobicContact CG-CZ2 3.99Å; P149-W242 HydrophobicContact CG-CZ3 3.96Å; L150-W242 HydrophobicContact CD2-CH2 3.96Å; L150-W242 HydrophobicContact CD2-CZ3 4.35Å; L150-W242 HydrophobicContact CG-CH2 3.89Å; L150-W242 HydrophobicContact CG-CZ3 4.46Å; L153-W242 HydrophobicContact CD1-CZ3 4.2Å; C238-W242 PolarHBondContact O-NE1 3.02Å; L239-W242 PolarHBondContact O-N 2.98Å; L240-W242 PolarHBondContact O-N 3.41Å; L240-W242 VanDerWaalsContact O-N 3.12Å; W242-L249 HydrophobicContact CE3-CD2 4.31Å; W242-I253 HydrophobicContact CH2-CD1 4.42Å; W242-I253 HydrophobicContact CZ3-CD1 4.24Å; W242-F264 HydrophobicContact CH2-CZ 4.05Å; W242-F264 HydrophobicContact CZ2-CZ 4.43Å |
| 243 | K | 94.2 | Very high | 94.6 | Very high | 71 Ų | 71 | 19.9 Ų | 19.9 | 31% | 0.309 | 9% | 0.093 | S | C | . | . | G | 310 helix | trans | -94 | -4.5 | 171.7 | -54.1 | -66.9 | -173.7 | 174.6 | 0 | 112.5 | L240 L241 E305 F308 K309 | L240-K243 VanDerWaalsContact O-CB 3.31Å; L240-K243 WeakPolarHBondContact O-CB 3.49Å; L240-K243 PolarHBondContact O-N 3.47Å; L241-K243 PolarHBondContact O-N 3.13Å; K243-E305 HydrophobicContact CB-CG 4.48Å; K243-E305 HydrophobicContact CG-CG 4.15Å; K243-F308 HydrophobicContact CB-CB 4.35Å; K243-K309 HydrophobicContact CB-CG 4.24Å; K243-K309 WeakPolarHBondContact O-CA 3.04Å |
| 244 | L | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -57.4 | 150.8 | 171.2 | -72.3 | 169.2 | 0 | 0 | 0 | 110.4 | L241 H248 L249 L252 I271 F308 I311 | L241-L244 HydrophobicContact CD2-CD1 3.8Å; L241-L244 WeakPolarHBondContact O-CB 3.37Å; L241-L244 WeakPolarHBondContact O-CD1 3.31Å; L241-L244 VanDerWaalsContact O-CG 3.25Å; L241-L244 WeakPolarHBondContact O-CG 3.35Å; L241-L244 PolarHBondContact O-N 2.95Å; L244-H248 HydrophobicContact CB-CB 4.15Å; L244-L249 HydrophobicContact CB-CD2 4.04Å; L244-L249 HydrophobicContact CB-CG 4.15Å; L244-L249 WeakPolarHBondContact O-CD1 3.37Å; L244-L252 HydrophobicContact CD1-CD1 3.57Å; L244-I271 HydrophobicContact CD1-CD1 4.37Å; L244-I271 HydrophobicContact CD2-CD1 4.03Å; L244-F308 HydrophobicContact CD2-CB 4.48Å; L244-F308 HydrophobicContact CD2-CD1 4.29Å; L244-F308 WeakPolarHBondContact CD2-O 3.47Å; L244-F308 HydrophobicContact CG-CD1 4.22Å; L244-I311 HydrophobicContact CD2-CB 4.14Å; L244-I311 HydrophobicContact CD2-CD1 3.81Å; L244-I311 HydrophobicContact CD2-CG2 3.89Å |
| 245 | P | 94.7 | Very high | 95 | Very high | 42 Ų | 42 | 18.3 Ų | 18.3 | 27% | 0.273 | 9% | 0.086 | S | C | . | . | trans | -55.5 | 148.8 | 175 | -20.1 | 29.4 | 0 | 0 | 0 | 111.6 | E247 H248 L249 I311 | P245-E247 VanDerWaalsContact C-N 3.26Å; P245-E247 HydrophobicContact CB-CG 4.41Å; P245-E247 PolarHBondContact O-N 2.92Å; P245-E247 VanDerWaalsContact O-N 3.16Å; P245-H248 WeakPolarHBondContact CB-ND1 3.46Å; P245-H248 WeakPolarHBondContact O-CB 3.47Å; P245-H248 PolarHBondContact O-N 2.87Å; P245-L249 PolarHBondContact O-N 3.12Å; P245-L249 VanDerWaalsContact O-N 3.15Å; P245-I311 HydrophobicContact CG-CG2 4.31Å | ||
| 246 | F | 94 | Very high | 95.2 | Very high | 18 Ų | 18 | 18.3 Ų | 18.3 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.1 | -39.7 | -171.2 | -174.3 | -102.2 | 0 | 0 | 0 | 113.3 | L17 P56 F117 F118 L153 H156 Y157 H248 L249 V250 | L17-F246 HydrophobicContact CD1-CE1 4.2Å; L17-F246 HydrophobicContact CD2-CD1 4.1Å; L17-F246 HydrophobicContact CD2-CE1 4.39Å; P56-F246 HydrophobicContact CB-CD1 4.01Å; P56-F246 HydrophobicContact CB-CE1 3.87Å; P56-F246 HydrophobicContact CG-CD1 4.03Å; P56-F246 HydrophobicContact CG-CE1 4.37Å; F117-F246 HydrophobicContact CB-CD2 3.98Å; F117-F246 HydrophobicContact CB-CE2 3.93Å; F117-F246 HydrophobicContact CD1-CD2 4.1Å; F117-F246 HydrophobicContact CG-CD2 4.09Å; F117-F246 HydrophobicContact CG-CE2 4.15Å; F118-F246 HydrophobicContact CD2-CD1 4.35Å; F118-F246 AromaticContact CD2-CD2 3.97Å; F118-F246 HydrophobicContact CD2-CD2 3.97Å; F118-F246 HydrophobicContact CD2-CE1 4.42Å; F118-F246 HydrophobicContact CD2-CE2 4.05Å; F118-F246 HydrophobicContact CD2-CG 4.13Å; F118-F246 HydrophobicContact CD2-CZ 4.29Å; F118-F246 HydrophobicContact CE2-CB 3.71Å; F118-F246 AromaticContact CE2-CD1 3.87Å; F118-F246 HydrophobicContact CE2-CD1 3.87Å; F118-F246 AromaticContact CE2-CD2 3.76Å; F118-F246 HydrophobicContact CE2-CD2 3.76Å; F118-F246 HydrophobicContact CE2-CE1 4.38Å; F118-F246 HydrophobicContact CE2-CE2 4.27Å; F118-F246 AromaticContact CE2-CG 3.53Å; F118-F246 HydrophobicContact CE2-CG 3.53Å; F118-F246 HydrophobicContact CZ-CB 4.36Å; L153-F246 HydrophobicContact CD2-CD2 3.96Å; L153-F246 HydrophobicContact CD2-CE2 3.46Å; L153-F246 VanDerWaalsContact CD2-CE2 3.46Å; L153-F246 HydrophobicContact CD2-CZ 4.22Å; H156-F246 HydrophobicContact CB-CZ 4.42Å; H156-F246 AromaticContact CD2-CE2 3.78Å; H156-F246 AromaticContact CD2-CZ 3.47Å; H156-F246 VanDerWaalsContact CD2-CZ 3.47Å; H156-F246 WeakPolarHBondContact CD2-CZ 3.06Å; H156-F246 AromaticContact CG-CZ 3.92Å; H156-F246 AromaticContact NE2-CE2 3.69Å; H156-F246 AromaticContact NE2-CZ 3.9Å; Y157-F246 WeakPolarHBondContact OH-CE1 3.19Å; F246-H248 VanDerWaalsContact C-N 3.32Å; F246-H248 PolarHBondContact O-N 3.3Å; F246-L249 WeakPolarHBondContact O-CB 3.41Å; F246-L249 PolarHBondContact O-N 2.9Å; F246-V250 HydrophobicContact CD1-CG2 3.95Å; F246-V250 HydrophobicContact CE1-CG2 3.7Å; F246-V250 HydrophobicContact CG-CG2 4.48Å; F246-V250 HydrophobicContact CZ-CG2 4.02Å; F246-V250 VanDerWaalsContact O-CG2 3.31Å; F246-V250 WeakPolarHBondContact O-CG2 3.48Å; F246-V250 PolarHBondContact O-N 2.57Å |
| 247 | E | 93.5 | Very high | 95.4 | Very high | 90 Ų | 90 | 14.3 Ų | 14.3 | 42% | 0.421 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 176.6 | 54.6 | 169.8 | -155.9 | 0 | 0 | 113.3 | P56 P245 C251 P315 | P56-E247 HydrophobicContact CG-CB 3.88Å; P245-E247 VanDerWaalsContact C-N 3.26Å; P245-E247 HydrophobicContact CB-CG 4.41Å; P245-E247 PolarHBondContact O-N 2.92Å; P245-E247 VanDerWaalsContact O-N 3.16Å; E247-C251 PolarHBondContact O-N 3.29Å; E247-C251 PolarHBondContact O-SG 2.91Å; E247-P315 HydrophobicContact CB-CG 4.04Å; E247-P315 HydrophobicContact CG-CG 3.72Å; E247-P315 WeakPolarHBondContact OE1-CD 3.41Å |
| 248 | H | 95.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.7 | -43.4 | 175.3 | -57.9 | 69.9 | 0 | 0 | 0 | 110.6 | L244 P245 F246 V250 C251 L252 L313 L318 | L244-H248 HydrophobicContact CB-CB 4.15Å; P245-H248 WeakPolarHBondContact CB-ND1 3.46Å; P245-H248 WeakPolarHBondContact O-CB 3.47Å; P245-H248 PolarHBondContact O-N 2.87Å; F246-H248 VanDerWaalsContact C-N 3.32Å; F246-H248 PolarHBondContact O-N 3.3Å; H248-V250 PolarHBondContact O-N 3.33Å; H248-C251 PolarHBondContact O-N 3.32Å; H248-L252 VanDerWaalsContact O-CG 3.28Å; H248-L252 WeakPolarHBondContact O-CG 3.44Å; H248-L252 PolarHBondContact O-N 3.23Å; H248-L313 PolarHBondContact NE2-O 3.47Å; H248-L318 HydrophobicContact CB-CD2 4.43Å |
| 249 | L | 96.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 177.3 | -68 | 175.5 | 0 | 0 | 0 | 111 | F117 L153 L241 W242 L244 P245 F246 C251 L252 I253 | F117-L249 HydrophobicContact CD1-CD1 4.22Å; F117-L249 HydrophobicContact CE1-CD1 3.39Å; F117-L249 HydrophobicContact CZ-CD1 3.95Å; L153-L249 HydrophobicContact CD1-CB 4.41Å; L241-L249 VanDerWaalsContact O-CD2 3.28Å; L241-L249 WeakPolarHBondContact O-CD2 3.5Å; W242-L249 HydrophobicContact CE3-CD2 4.31Å; L244-L249 HydrophobicContact CB-CD2 4.04Å; L244-L249 HydrophobicContact CB-CG 4.15Å; L244-L249 WeakPolarHBondContact O-CD1 3.37Å; P245-L249 PolarHBondContact O-N 3.12Å; P245-L249 VanDerWaalsContact O-N 3.15Å; F246-L249 WeakPolarHBondContact O-CB 3.41Å; F246-L249 PolarHBondContact O-N 2.9Å; L249-C251 VanDerWaalsContact C-N 3.34Å; L249-C251 PolarHBondContact O-N 2.87Å; L249-L252 WeakPolarHBondContact O-CB 3.45Å; L249-L252 PolarHBondContact O-N 3.18Å; L249-L252 VanDerWaalsContact O-N 3.1Å; L249-I253 WeakPolarHBondContact O-CG1 3.47Å; L249-I253 PolarHBondContact O-N 3.37Å |
| 250 | V | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 178.7 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | W65 Y157 F246 H248 L252 I253 D254 | W65-V250 HydrophobicContact CZ2-CG1 4.16Å; Y157-V250 HydrophobicContact CE2-CG2 4.29Å; Y157-V250 WeakPolarHBondContact OH-CG2 3.21Å; F246-V250 HydrophobicContact CD1-CG2 3.95Å; F246-V250 HydrophobicContact CE1-CG2 3.7Å; F246-V250 HydrophobicContact CG-CG2 4.48Å; F246-V250 HydrophobicContact CZ-CG2 4.02Å; F246-V250 VanDerWaalsContact O-CG2 3.31Å; F246-V250 WeakPolarHBondContact O-CG2 3.48Å; F246-V250 PolarHBondContact O-N 2.57Å; H248-V250 PolarHBondContact O-N 3.33Å; V250-L252 PolarHBondContact O-N 2.79Å; V250-I253 PolarHBondContact O-N 2.94Å; V250-D254 VanDerWaalsContact O-CG 3.31Å; V250-D254 PolarHBondContact O-N 3.2Å; V250-D254 VanDerWaalsContact O-N 3.12Å |
| 251 | C | 94.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.034 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.8 | -69.5 | 0 | 0 | 0 | 0 | 113.4 | E247 H248 L249 P315 M319 | E247-C251 PolarHBondContact O-N 3.29Å; E247-C251 PolarHBondContact O-SG 2.91Å; H248-C251 PolarHBondContact O-N 3.32Å; L249-C251 VanDerWaalsContact C-N 3.34Å; L249-C251 PolarHBondContact O-N 2.87Å; C251-P315 HydrophobicContact CB-CB 4.41Å; C251-M319 HydrophobicContact CB-CE 4.49Å; C251-M319 HydrophobicContact CB-CG 4.29Å; C251-M319 HydrophobicContact CB-SD 4.4Å; C251-M319 VanDerWaalsContact O-CE 3.25Å; C251-M319 WeakPolarHBondContact O-CE 3.45Å |
| 252 | L | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 175.1 | -73.1 | 175.7 | 0 | 0 | 0 | 111.2 | L244 H248 L249 V250 S255 F256 V263 A267 M319 M322 | L244-L252 HydrophobicContact CD1-CD1 3.57Å; H248-L252 VanDerWaalsContact O-CG 3.28Å; H248-L252 WeakPolarHBondContact O-CG 3.44Å; H248-L252 PolarHBondContact O-N 3.23Å; L249-L252 WeakPolarHBondContact O-CB 3.45Å; L249-L252 PolarHBondContact O-N 3.18Å; L249-L252 VanDerWaalsContact O-N 3.1Å; V250-L252 PolarHBondContact O-N 2.79Å; L252-S255 PolarHBondContact O-N 3.43Å; L252-F256 WeakPolarHBondContact O-CB 3.49Å; L252-F256 PolarHBondContact O-N 3.24Å; L252-V263 HydrophobicContact CD2-CG1 4.1Å; L252-A267 HydrophobicContact CD1-CB 4.38Å; L252-A267 HydrophobicContact CD2-CB 3.95Å; L252-M319 HydrophobicContact CD2-SD 4.29Å; L252-M322 HydrophobicContact CD2-CE 3.41Å; L252-M322 VanDerWaalsContact CD2-CE 3.41Å; L252-M322 HydrophobicContact CD2-SD 3.46Å; L252-M322 WeakPolarHBondContact CD2-SD 3.36Å |
| 253 | I | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 179.4 | -64.9 | -46.4 | 0 | 0 | 0 | 111.2 | W65 L150 L153 F154 W242 L249 V250 S255 F256 L257 F264 | W65-I253 HydrophobicContact CD2-CG2 3.89Å; W65-I253 VanDerWaalsContact CE2-CG2 3.48Å; W65-I253 HydrophobicContact CE3-CG2 4.26Å; W65-I253 HydrophobicContact CG-CG2 4.49Å; W65-I253 HydrophobicContact CH2-CB 4.23Å; W65-I253 HydrophobicContact CH2-CG2 3.97Å; W65-I253 HydrophobicContact CZ2-CB 3.69Å; W65-I253 HydrophobicContact CZ2-CG1 4.44Å; W65-I253 HydrophobicContact CZ2-CG2 3.53Å; W65-I253 HydrophobicContact CZ3-CG2 4.32Å; L150-I253 HydrophobicContact CD2-CD1 3.63Å; L153-I253 HydrophobicContact CD1-CD1 4.31Å; L153-I253 HydrophobicContact CD1-CG1 3.75Å; F154-I253 HydrophobicContact CE1-CG2 4.09Å; W242-I253 HydrophobicContact CH2-CD1 4.42Å; W242-I253 HydrophobicContact CZ3-CD1 4.24Å; L249-I253 WeakPolarHBondContact O-CG1 3.47Å; L249-I253 PolarHBondContact O-N 3.37Å; V250-I253 PolarHBondContact O-N 2.94Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 3.26Å; I253-F256 HydrophobicContact CD1-CD1 4.22Å; I253-F256 PolarHBondContact O-N 2.63Å; I253-F256 VanDerWaalsContact O-N 3.08Å; I253-L257 HydrophobicContact CG2-CD1 3.98Å; I253-L257 HydrophobicContact CG2-CD2 4.5Å; I253-L257 HydrophobicContact CG2-CG 3.95Å; I253-L257 WeakPolarHBondContact O-CG 3.44Å; I253-L257 PolarHBondContact O-N 2.89Å; I253-F264 HydrophobicContact CD1-CE1 4.14Å; I253-F264 HydrophobicContact CD1-CZ 3.95Å |
| 254 | D | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -50.2 | -49.2 | 175.9 | -64.4 | -26.3 | 0 | 0 | 0 | 112 | I49 R61 W65 V250 | I49-D254 HydrophobicContact CG2-CB 3.79Å; R61-D254 IonicContact CZ-OD1 3.29Å; R61-D254 IonicContact CZ-OD2 3.41Å; R61-D254 VanDerWaalsContact CZ-OD2 3.29Å; R61-D254 IonicContact NH1-OD1 2.89Å; R61-D254 PolarHBondContact NH1-OD1 2.98Å; R61-D254 IonicContact NH1-OD2 2.94Å; R61-D254 PolarHBondContact NH1-OD2 3.29Å; R61-D254 IonicContact NH2-OD2 2.69Å; R61-D254 PolarHBondContact NH2-OD2 3.13Å; W65-D254 PolarHBondContact NE1-OD1 2.82Å; V250-D254 VanDerWaalsContact O-CG 3.31Å; V250-D254 PolarHBondContact O-N 3.2Å; V250-D254 VanDerWaalsContact O-N 3.12Å |
| 255 | S | 96.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.007 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -75.5 | -37.6 | 178.6 | -73 | 0 | 0 | 0 | 0 | 112.8 | L252 I253 L257 L258 E259 M319 | L252-S255 PolarHBondContact O-N 3.43Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 3.26Å; S255-L257 VanDerWaalsContact C-N 3.31Å; S255-L257 PolarHBondContact O-N 3.03Å; S255-L258 PolarHBondContact O-N 3.35Å; S255-E259 WeakPolarHBondContact O-CB 3.44Å; S255-E259 PolarHBondContact O-N 2.77Å; S255-M319 WeakPolarHBondContact OG-CE 3.42Å |
| 256 | F | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 12 Ų | 12 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 178.9 | 161.9 | -104.6 | 0 | 0 | 0 | 111.5 | L150 L170 V176 L177 L252 I253 L258 E259 G260 P261 V263 F264 | L150-F256 HydrophobicContact CD1-CE1 4.32Å; L150-F256 HydrophobicContact CD2-CD1 4.48Å; L150-F256 HydrophobicContact CD2-CE1 4.14Å; L170-F256 HydrophobicContact CD1-CE1 4.33Å; L170-F256 HydrophobicContact CD2-CE1 4.41Å; V176-F256 HydrophobicContact CG1-CE2 4.32Å; V176-F256 HydrophobicContact CG1-CZ 3.97Å; L177-F256 HydrophobicContact CD2-CZ 4.09Å; L252-F256 WeakPolarHBondContact O-CB 3.49Å; L252-F256 PolarHBondContact O-N 3.24Å; I253-F256 HydrophobicContact CD1-CD1 4.22Å; I253-F256 PolarHBondContact O-N 2.63Å; I253-F256 VanDerWaalsContact O-N 3.08Å; F256-L258 VanDerWaalsContact C-N 3.25Å; F256-L258 PolarHBondContact O-N 3.32Å; F256-E259 PolarHBondContact O-N 2.93Å; F256-G260 VanDerWaalsContact O-CA 3.3Å; F256-G260 WeakPolarHBondContact O-CA 3.31Å; F256-G260 PolarHBondContact O-N 3.31Å; F256-P261 HydrophobicContact CE2-CB 4.49Å; F256-V263 HydrophobicContact CB-CB 4.37Å; F256-F264 HydrophobicContact CB-CE1 4.2Å; F256-F264 HydrophobicContact CB-CE2 4.46Å; F256-F264 HydrophobicContact CB-CZ 3.88Å; F256-F264 HydrophobicContact CD1-CE2 4.36Å; F256-F264 AromaticContact CD1-CZ 3.98Å; F256-F264 HydrophobicContact CD1-CZ 3.98Å; F256-F264 HydrophobicContact CD2-CD2 4.01Å; F256-F264 HydrophobicContact CD2-CE1 4.44Å; F256-F264 AromaticContact CD2-CE2 3.27Å; F256-F264 HydrophobicContact CD2-CE2 3.27Å; F256-F264 AromaticContact CD2-CZ 3.53Å; F256-F264 HydrophobicContact CD2-CZ 3.53Å; F256-F264 HydrophobicContact CE1-CE2 4.49Å; F256-F264 HydrophobicContact CE1-CZ 4.43Å; F256-F264 HydrophobicContact CE2-CD2 4.25Å; F256-F264 AromaticContact CE2-CE2 3.44Å; F256-F264 HydrophobicContact CE2-CE2 3.44Å; F256-F264 VanDerWaalsContact CE2-CE2 3.44Å; F256-F264 HydrophobicContact CE2-CZ 4.04Å; F256-F264 HydrophobicContact CG-CE1 4.31Å; F256-F264 AromaticContact CG-CE2 3.78Å; F256-F264 HydrophobicContact CG-CE2 3.78Å; F256-F264 AromaticContact CG-CZ 3.5Å; F256-F264 HydrophobicContact CG-CZ 3.5Å; F256-F264 VanDerWaalsContact CG-CZ 3.5Å; F256-F264 HydrophobicContact CZ-CE2 4.07Å; F256-F264 HydrophobicContact CZ-CZ 4.46Å |
| 257 | L | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.7 | -38.9 | -179 | -69.6 | -179.1 | 0 | 0 | 0 | 112 | W65 L68 L69 K72 F154 L170 I253 S255 | W65-L257 HydrophobicContact CB-CD1 3.44Å; W65-L257 VanDerWaalsContact CB-CD1 3.44Å; W65-L257 VanDerWaalsContact CD1-CD1 3.46Å; W65-L257 HydrophobicContact CD2-CD1 4.18Å; W65-L257 HydrophobicContact CG-CD1 3.4Å; W65-L257 VanDerWaalsContact CG-CD1 3.4Å; L68-L257 HydrophobicContact CB-CB 4.27Å; L68-L257 HydrophobicContact CD1-CD1 4.49Å; L69-L257 HydrophobicContact CD1-CD2 4.18Å; L69-L257 HydrophobicContact CD2-CD2 3.88Å; L69-L257 HydrophobicContact CG-CD2 3.99Å; K72-L257 WeakPolarHBondContact CD-O 3.3Å; K72-L257 WeakPolarHBondContact CE-O 3.3Å; K72-L257 PolarHBondContact NZ-O 3.23Å; F154-L257 HydrophobicContact CE1-CD2 4.42Å; F154-L257 HydrophobicContact CZ-CD2 3.95Å; L170-L257 HydrophobicContact CD1-CD2 4.34Å; L170-L257 HydrophobicContact CD2-CD2 4.44Å; I253-L257 HydrophobicContact CG2-CD1 3.98Å; I253-L257 HydrophobicContact CG2-CD2 4.5Å; I253-L257 HydrophobicContact CG2-CG 3.95Å; I253-L257 WeakPolarHBondContact O-CG 3.44Å; I253-L257 PolarHBondContact O-N 2.89Å; S255-L257 VanDerWaalsContact C-N 3.31Å; S255-L257 PolarHBondContact O-N 3.03Å |
| 258 | L | 93 | Very high | 96 | Very high | 14 Ų | 14 | 6.9 Ų | 6.9 | 7% | 0.073 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -81.9 | -43.3 | 175.3 | -71.1 | -177.8 | 0 | 0 | 0 | 113.8 | L45 K46 I49 L68 K72 S255 F256 | L45-L258 HydrophobicContact CD2-CD1 4Å; L45-L258 HydrophobicContact CD2-CD2 4.04Å; L45-L258 HydrophobicContact CG-CD1 3.76Å; K46-L258 HydrophobicContact CG-CB 4.27Å; K46-L258 HydrophobicContact CG-CD1 4.31Å; I49-L258 HydrophobicContact CB-CD1 4.16Å; I49-L258 HydrophobicContact CG1-CD1 3.69Å; I49-L258 HydrophobicContact CG2-CD1 4.49Å; L68-L258 HydrophobicContact CB-CD2 4.2Å; L68-L258 HydrophobicContact CB-CG 4.41Å; L68-L258 HydrophobicContact CD2-CD1 3.78Å; L68-L258 HydrophobicContact CD2-CD2 3.9Å; L68-L258 HydrophobicContact CD2-CG 3.82Å; K72-L258 HydrophobicContact CB-CD2 4.27Å; K72-L258 WeakPolarHBondContact CD-O 3.38Å; K72-L258 WeakPolarHBondContact CE-O 3.46Å; K72-L258 PolarHBondContact NZ-O 3.22Å; S255-L258 PolarHBondContact O-N 3.35Å; F256-L258 VanDerWaalsContact C-N 3.25Å; F256-L258 PolarHBondContact O-N 3.32Å |
| 259 | E | 93.6 | Very high | 96 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 1% | 0.014 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -100.8 | -19.3 | -162.4 | -67.1 | -148.7 | -121.5 | 0 | 0 | 114.5 | K46 R50 S255 F256 K262 V263 F323 R330 | K46-E259 HydrophobicContact CD-CG 3.74Å; K46-E259 HydrophobicContact CG-CG 3.88Å; R50-E259 IonicContact CZ-OE1 3.82Å; R50-E259 VanDerWaalsContact CZ-OE1 3.29Å; R50-E259 IonicContact CZ-OE2 2.76Å; R50-E259 IonicContact NE-OE1 3.74Å; R50-E259 PolarHBondContact NE-OE1 3.21Å; R50-E259 IonicContact NE-OE2 2.64Å; R50-E259 VanDerWaalsContact NH2-CD 3.25Å; R50-E259 IonicContact NH2-OE1 3Å; R50-E259 PolarHBondContact NH2-OE1 2.96Å; R50-E259 IonicContact NH2-OE2 2.68Å; R50-E259 PolarHBondContact NH2-OE2 3.15Å; S255-E259 WeakPolarHBondContact O-CB 3.44Å; S255-E259 PolarHBondContact O-N 2.77Å; F256-E259 PolarHBondContact O-N 2.93Å; E259-K262 WeakPolarHBondContact O-CE 3.3Å; E259-K262 WeakPolarHBondContact OE2-CE 3.49Å; E259-K262 IonicContact OE2-NZ 2.7Å; E259-K262 PolarHBondContact OE2-NZ 2.88Å; E259-V263 HydrophobicContact CB-CG2 3.72Å; E259-F323 VanDerWaalsContact OE1-CE1 3.3Å; E259-F323 WeakPolarHBondContact OE1-CE1 3.43Å; E259-R330 PolarHBondContact O-NH2 2.76Å |
| 260 | G | 94.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 2% | 0.021 | 3% | 0.034 | C | C | . | . | trans | 85.1 | -169.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F256 K262 V263 | F256-G260 VanDerWaalsContact O-CA 3.3Å; F256-G260 WeakPolarHBondContact O-CA 3.31Å; F256-G260 PolarHBondContact O-N 3.31Å; G260-K262 PolarHBondContact O-N 3Å; G260-V263 WeakPolarHBondContact O-CG2 3.39Å; G260-V263 PolarHBondContact O-N 3.32Å; G260-V263 VanDerWaalsContact O-N 3.12Å | ||
| 261 | P | 95.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 6.8 Ų | 6.8 | 18% | 0.182 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.3 | -168.7 | 22.9 | -34.6 | 0 | 0 | 0 | 114.7 | G175 F256 V263 F264 Y265 | G175-P261 WeakPolarHBondContact O-CG 3.16Å; F256-P261 HydrophobicContact CE2-CB 4.49Å; P261-V263 PolarHBondContact O-N 3.29Å; P261-F264 PolarHBondContact O-N 3.14Å; P261-Y265 WeakPolarHBondContact O-CD2 3.33Å; P261-Y265 PolarHBondContact O-N 3.21Å |
| 262 | K | 96.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 6.5 Ų | 6.5 | 16% | 0.157 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -55.3 | -23.1 | 172.4 | 71.1 | 172.5 | -176.6 | 172.6 | 0 | 113.4 | E259 G260 R266 I333 | E259-K262 WeakPolarHBondContact O-CE 3.3Å; E259-K262 WeakPolarHBondContact OE2-CE 3.49Å; E259-K262 IonicContact OE2-NZ 2.7Å; E259-K262 PolarHBondContact OE2-NZ 2.88Å; G260-K262 PolarHBondContact O-N 3Å; K262-R266 WeakPolarHBondContact O-CG 3.43Å; K262-R266 PolarHBondContact O-N 3.44Å; K262-R266 VanDerWaalsContact O-N 3.12Å; K262-I333 HydrophobicContact CB-CD1 3.66Å |
| 263 | V | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 176 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L252 F256 E259 G260 P261 Y265 R266 A267 M322 | L252-V263 HydrophobicContact CD2-CG1 4.1Å; F256-V263 HydrophobicContact CB-CB 4.37Å; E259-V263 HydrophobicContact CB-CG2 3.72Å; G260-V263 WeakPolarHBondContact O-CG2 3.39Å; G260-V263 PolarHBondContact O-N 3.32Å; G260-V263 VanDerWaalsContact O-N 3.12Å; P261-V263 PolarHBondContact O-N 3.29Å; V263-Y265 PolarHBondContact O-N 3.15Å; V263-R266 WeakPolarHBondContact O-CB 3.33Å; V263-R266 PolarHBondContact O-N 3.44Å; V263-A267 PolarHBondContact O-N 2.95Å; V263-M322 HydrophobicContact CG1-CE 3.68Å; V263-M322 WeakPolarHBondContact O-CE 3.45Å |
| 264 | F | 97.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 11.3 Ų | 11.3 | 5% | 0.048 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.5 | -57.7 | -43 | 0 | 0 | 0 | 111.8 | W237 L241 W242 I253 F256 P261 R266 A267 G268 | W237-F264 HydrophobicContact CH2-CB 4.34Å; W237-F264 VanDerWaalsContact CZ3-C 3.49Å; W237-F264 HydrophobicContact CZ3-CB 3.92Å; W237-F264 WeakPolarHBondContact CZ3-O 3Å; L241-F264 HydrophobicContact CD1-CB 3.71Å; L241-F264 HydrophobicContact CD1-CD1 4.4Å; L241-F264 HydrophobicContact CD1-CG 4.37Å; W242-F264 HydrophobicContact CH2-CZ 4.05Å; W242-F264 HydrophobicContact CZ2-CZ 4.43Å; I253-F264 HydrophobicContact CD1-CE1 4.14Å; I253-F264 HydrophobicContact CD1-CZ 3.95Å; F256-F264 HydrophobicContact CB-CE1 4.2Å; F256-F264 HydrophobicContact CB-CE2 4.46Å; F256-F264 HydrophobicContact CB-CZ 3.88Å; F256-F264 HydrophobicContact CD1-CE2 4.36Å; F256-F264 AromaticContact CD1-CZ 3.98Å; F256-F264 HydrophobicContact CD1-CZ 3.98Å; F256-F264 HydrophobicContact CD2-CD2 4.01Å; F256-F264 HydrophobicContact CD2-CE1 4.44Å; F256-F264 AromaticContact CD2-CE2 3.27Å; F256-F264 HydrophobicContact CD2-CE2 3.27Å; F256-F264 AromaticContact CD2-CZ 3.53Å; F256-F264 HydrophobicContact CD2-CZ 3.53Å; F256-F264 HydrophobicContact CE1-CE2 4.49Å; F256-F264 HydrophobicContact CE1-CZ 4.43Å; F256-F264 HydrophobicContact CE2-CD2 4.25Å; F256-F264 AromaticContact CE2-CE2 3.44Å; F256-F264 HydrophobicContact CE2-CE2 3.44Å; F256-F264 VanDerWaalsContact CE2-CE2 3.44Å; F256-F264 HydrophobicContact CE2-CZ 4.04Å; F256-F264 HydrophobicContact CG-CE1 4.31Å; F256-F264 AromaticContact CG-CE2 3.78Å; F256-F264 HydrophobicContact CG-CE2 3.78Å; F256-F264 AromaticContact CG-CZ 3.5Å; F256-F264 HydrophobicContact CG-CZ 3.5Å; F256-F264 VanDerWaalsContact CG-CZ 3.5Å; F256-F264 HydrophobicContact CZ-CE2 4.07Å; F256-F264 HydrophobicContact CZ-CZ 4.46Å; P261-F264 PolarHBondContact O-N 3.14Å; F264-R266 VanDerWaalsContact C-N 3.3Å; F264-R266 PolarHBondContact O-N 2.77Å; F264-A267 WeakPolarHBondContact O-CB 3.44Å; F264-A267 PolarHBondContact O-N 3.49Å; F264-A267 VanDerWaalsContact O-N 3.09Å; F264-G268 PolarHBondContact O-N 3.07Å |
| 265 | Y | 97.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -56.6 | -42.7 | 173.9 | -77.8 | -78.5 | 0 | 0 | 0 | 112.7 | H187 S190 L191 L194 W237 P261 V263 A267 G268 L269 I333 | H187-Y265 AromaticContact ND1-CZ 3.9Å; H187-Y265 PolarHBondContact ND1-OH 3.21Å; S190-Y265 VanDerWaalsContact OG-CE1 3.3Å; S190-Y265 WeakPolarHBondContact OG-CE1 3.47Å; S190-Y265 PolarHBondContact OG-OH 3.2Å; S190-Y265 VanDerWaalsContact OG-OH 3.12Å; L191-Y265 HydrophobicContact CD1-CD1 4.25Å; L194-Y265 HydrophobicContact CD2-CD1 3.46Å; L194-Y265 VanDerWaalsContact CD2-CD1 3.46Å; L194-Y265 HydrophobicContact CD2-CE1 4.26Å; L194-Y265 HydrophobicContact CD2-CG 3.95Å; W237-Y265 AromaticContact CH2-CD1 3.65Å; W237-Y265 HydrophobicContact CH2-CD1 3.65Å; W237-Y265 HydrophobicContact CH2-CD2 4.12Å; W237-Y265 AromaticContact CH2-CE1 3.75Å; W237-Y265 HydrophobicContact CH2-CE1 3.75Å; W237-Y265 HydrophobicContact CH2-CE2 4.21Å; W237-Y265 AromaticContact CH2-CG 3.85Å; W237-Y265 HydrophobicContact CH2-CG 3.85Å; W237-Y265 AromaticContact CZ2-CD1 3.69Å; W237-Y265 HydrophobicContact CZ2-CD1 3.69Å; W237-Y265 AromaticContact CZ2-CE1 3.42Å; W237-Y265 HydrophobicContact CZ2-CE1 3.42Å; W237-Y265 VanDerWaalsContact CZ2-CE1 3.42Å; W237-Y265 HydrophobicContact CZ2-CE2 4.48Å; W237-Y265 HydrophobicContact CZ2-CG 4.35Å; W237-Y265 AromaticContact CZ2-CZ 3.86Å; P261-Y265 WeakPolarHBondContact O-CD2 3.33Å; P261-Y265 PolarHBondContact O-N 3.21Å; V263-Y265 PolarHBondContact O-N 3.15Å; Y265-A267 VanDerWaalsContact C-N 3.35Å; Y265-A267 PolarHBondContact O-N 2.95Å; Y265-G268 PolarHBondContact O-N 3.45Å; Y265-L269 WeakPolarHBondContact O-CB 3.5Å; Y265-L269 VanDerWaalsContact O-CG 3.3Å; Y265-L269 WeakPolarHBondContact O-CG 3.24Å; Y265-L269 PolarHBondContact O-N 3.35Å; Y265-I333 HydrophobicContact CD2-CD1 3.82Å; Y265-I333 HydrophobicContact CD2-CG1 4.25Å; Y265-I333 HydrophobicContact CD2-CG2 4.03Å; Y265-I333 HydrophobicContact CE1-CG2 4.23Å; Y265-I333 HydrophobicContact CE2-CD1 4.43Å; Y265-I333 HydrophobicContact CE2-CG2 3.55Å; Y265-I333 HydrophobicContact CG-CD1 4.07Å; Y265-I333 HydrophobicContact CG-CG1 4.24Å |
| 266 | R | 97.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 12.1 Ų | 12.1 | 11% | 0.106 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 176.4 | -73.3 | 170.7 | 174.9 | -85 | -5.9 | 111.8 | K262 V263 F264 V270 M322 L325 V328 | K262-R266 WeakPolarHBondContact O-CG 3.43Å; K262-R266 PolarHBondContact O-N 3.44Å; K262-R266 VanDerWaalsContact O-N 3.12Å; V263-R266 WeakPolarHBondContact O-CB 3.33Å; V263-R266 PolarHBondContact O-N 3.44Å; F264-R266 VanDerWaalsContact C-N 3.3Å; F264-R266 PolarHBondContact O-N 2.77Å; R266-V270 WeakPolarHBondContact O-CG2 3.47Å; R266-V270 PolarHBondContact O-N 3.35Å; R266-M322 HydrophobicContact CB-CB 3.97Å; R266-M322 HydrophobicContact CB-CE 4.02Å; R266-M322 HydrophobicContact CB-CG 4.23Å; R266-M322 PolarHBondContact NH1-O 2.89Å; R266-L325 PolarHBondContact NH1-O 3.39Å; R266-V328 HydrophobicContact CG-CB 4.18Å; R266-V328 HydrophobicContact CG-CG1 3.96Å; R266-V328 HydrophobicContact CG-CG2 4.43Å; R266-V328 PolarHBondContact NH2-O 2.95Å |
| 267 | A | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L241 L252 V263 F264 Y265 L269 V270 I271 M322 | L241-A267 HydrophobicContact CD2-CB 3.66Å; L252-A267 HydrophobicContact CD1-CB 4.38Å; L252-A267 HydrophobicContact CD2-CB 3.95Å; V263-A267 PolarHBondContact O-N 2.95Å; F264-A267 WeakPolarHBondContact O-CB 3.44Å; F264-A267 PolarHBondContact O-N 3.49Å; F264-A267 VanDerWaalsContact O-N 3.09Å; Y265-A267 VanDerWaalsContact C-N 3.35Å; Y265-A267 PolarHBondContact O-N 2.95Å; A267-L269 VanDerWaalsContact C-N 3.34Å; A267-L269 PolarHBondContact O-N 3.13Å; A267-V270 PolarHBondContact O-N 3.14Å; A267-V270 VanDerWaalsContact O-N 3.16Å; A267-I271 WeakPolarHBondContact O-CG1 3.4Å; A267-I271 PolarHBondContact O-N 2.79Å; A267-M322 HydrophobicContact CB-CE 3.89Å; A267-M322 HydrophobicContact CB-CG 4.46Å; A267-M322 HydrophobicContact CB-SD 3.74Å |
| 268 | G | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.2 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F264 Y265 I271 L272 Y303 | F264-G268 PolarHBondContact O-N 3.07Å; Y265-G268 PolarHBondContact O-N 3.45Å; G268-I271 PolarHBondContact O-N 3.09Å; G268-L272 WeakPolarHBondContact O-CB 3.34Å; G268-L272 PolarHBondContact O-N 3.26Å; G268-Y303 PolarHBondContact O-OH 3.29Å |
| 269 | L | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 177.5 | -70.9 | 176.3 | 0 | 0 | 0 | 113.3 | L191 L194 A195 Y265 A267 L272 K273 L325 V328 | L191-L269 HydrophobicContact CD1-CD2 3.84Å; L191-L269 HydrophobicContact CD1-CG 3.84Å; L191-L269 HydrophobicContact CG-CD2 4.31Å; L194-L269 HydrophobicContact CD2-CD1 4.01Å; L194-L269 HydrophobicContact CG-CD1 4.2Å; A195-L269 HydrophobicContact CB-CD2 3.62Å; Y265-L269 WeakPolarHBondContact O-CB 3.5Å; Y265-L269 VanDerWaalsContact O-CG 3.3Å; Y265-L269 WeakPolarHBondContact O-CG 3.24Å; Y265-L269 PolarHBondContact O-N 3.35Å; A267-L269 VanDerWaalsContact C-N 3.34Å; A267-L269 PolarHBondContact O-N 3.13Å; L269-L272 PolarHBondContact O-N 3.29Å; L269-K273 WeakPolarHBondContact O-CB 3.25Å; L269-K273 PolarHBondContact O-N 2.78Å; L269-L325 HydrophobicContact CB-CD1 3.8Å; L269-L325 HydrophobicContact CD1-CD1 4.41Å; L269-V328 HydrophobicContact CD1-CG1 4.36Å; L269-V328 HydrophobicContact CD1-CG2 3.74Å |
| 270 | V | 94.5 | Very high | 88.5 | Confident | 7 Ų | 7 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.1 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | R266 A267 L272 K273 A274 L313 L318 K321 M322 L325 | R266-V270 WeakPolarHBondContact O-CG2 3.47Å; R266-V270 PolarHBondContact O-N 3.35Å; A267-V270 PolarHBondContact O-N 3.14Å; A267-V270 VanDerWaalsContact O-N 3.16Å; V270-L272 VanDerWaalsContact C-N 3.32Å; V270-K273 PolarHBondContact O-N 3.02Å; V270-A274 VanDerWaalsContact O-CB 3.25Å; V270-A274 WeakPolarHBondContact O-CB 3.39Å; V270-A274 PolarHBondContact O-N 3.23Å; V270-L313 HydrophobicContact CG1-CD1 4.07Å; V270-L318 HydrophobicContact CB-CD1 4.31Å; V270-L318 HydrophobicContact CG1-CD1 3.83Å; V270-K321 HydrophobicContact CG1-CB 3.78Å; V270-K321 HydrophobicContact CG1-CD 4.11Å; V270-K321 HydrophobicContact CG2-CB 3.96Å; V270-M322 HydrophobicContact CB-CG 4.36Å; V270-M322 HydrophobicContact CG2-CB 4.36Å; V270-M322 HydrophobicContact CG2-CG 3.85Å; V270-L325 HydrophobicContact CG2-CD1 3.66Å; V270-L325 HydrophobicContact CG2-CG 4.09Å |
| 271 | I | 93.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 178.5 | -64.1 | 168.7 | 0 | 0 | 0 | 109.7 | L241 L244 A267 G268 A274 S275 Y303 I307 F308 I311 | L241-I271 HydrophobicContact CD2-CD1 4.14Å; L244-I271 HydrophobicContact CD1-CD1 4.37Å; L244-I271 HydrophobicContact CD2-CD1 4.03Å; A267-I271 WeakPolarHBondContact O-CG1 3.4Å; A267-I271 PolarHBondContact O-N 2.79Å; G268-I271 PolarHBondContact O-N 3.09Å; I271-A274 CarbonylContact O-C 3.53Å; I271-A274 PolarHBondContact O-N 2.81Å; I271-A274 VanDerWaalsContact O-N 3.12Å; I271-S275 PolarHBondContact O-N 2.94Å; I271-Y303 HydrophobicContact CB-CE2 4.37Å; I271-Y303 HydrophobicContact CG2-CE2 3.92Å; I271-I307 HydrophobicContact CG2-CG2 3.64Å; I271-F308 HydrophobicContact CB-CZ 4.47Å; I271-F308 HydrophobicContact CD1-CD1 3.71Å; I271-F308 HydrophobicContact CD1-CE1 3.5Å; I271-F308 VanDerWaalsContact CD1-CE1 3.5Å; I271-F308 HydrophobicContact CD1-CZ 4.16Å; I271-F308 HydrophobicContact CG2-CD2 4.27Å; I271-F308 HydrophobicContact CG2-CE1 4.29Å; I271-F308 HydrophobicContact CG2-CE2 3.88Å; I271-F308 HydrophobicContact CG2-CZ 3.91Å; I271-I311 HydrophobicContact CD1-CD1 4.06Å; I271-I311 HydrophobicContact CG1-CD1 3.81Å |
| 272 | L | 91.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 177.1 | 172.5 | 56.1 | 0 | 0 | 0 | 111.7 | A195 L201 L234 G268 L269 V270 A274 S275 L276 F301 Y303 | A195-L272 HydrophobicContact CB-CD2 4.21Å; L201-L272 HydrophobicContact CD1-CD2 4.23Å; L234-L272 HydrophobicContact CD2-CD1 3.51Å; L234-L272 HydrophobicContact CD2-CD2 3.82Å; L234-L272 HydrophobicContact CD2-CG 4.21Å; G268-L272 WeakPolarHBondContact O-CB 3.34Å; G268-L272 PolarHBondContact O-N 3.26Å; L269-L272 PolarHBondContact O-N 3.29Å; V270-L272 VanDerWaalsContact C-N 3.32Å; L272-A274 PolarHBondContact O-N 3.38Å; L272-S275 PolarHBondContact O-N 3.04Å; L272-S275 PolarHBondContact O-OG 2.7Å; L272-L276 HydrophobicContact CD1-CD1 3.7Å; L272-L276 HydrophobicContact CD1-CG 4.12Å; L272-L276 HydrophobicContact CG-CD1 4.14Å; L272-L276 PolarHBondContact O-N 2.97Å; L272-L276 VanDerWaalsContact O-N 3.09Å; L272-F301 HydrophobicContact CD1-CE2 3.99Å; L272-F301 HydrophobicContact CD1-CZ 4.11Å; L272-Y303 HydrophobicContact CB-CD2 4.28Å; L272-Y303 HydrophobicContact CB-CE2 3.64Å; L272-Y303 HydrophobicContact CD1-CD2 4.01Å; L272-Y303 HydrophobicContact CD1-CE2 4.19Å |
| 273 | K | 88.2 | Confident | 82.3 | Confident | 89 Ų | 89 | 35.5 Ų | 35.5 | 39% | 0.387 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.3 | -42.7 | 175.3 | -173.5 | 171.6 | -179.8 | 165.2 | 0 | 110.7 | L200 L212 L269 V270 C277 | L200-K273 HydrophobicContact CD1-CD 4.47Å; L200-K273 HydrophobicContact CD2-CB 4.13Å; L212-K273 HydrophobicContact CD1-CG 4.15Å; L212-K273 HydrophobicContact CD2-CG 4.27Å; L269-K273 WeakPolarHBondContact O-CB 3.25Å; L269-K273 PolarHBondContact O-N 2.78Å; V270-K273 PolarHBondContact O-N 3.02Å; K273-C277 PolarHBondContact O-N 3.28Å; K273-C277 VanDerWaalsContact O-N 3.17Å; K273-C277 PolarHBondContact O-SG 3.04Å |
| 274 | A | 85.1 | Confident | 79.9 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.7 | -40.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | V270 I271 L272 C277 Y280 | V270-A274 VanDerWaalsContact O-CB 3.25Å; V270-A274 WeakPolarHBondContact O-CB 3.39Å; V270-A274 PolarHBondContact O-N 3.23Å; I271-A274 CarbonylContact O-C 3.53Å; I271-A274 PolarHBondContact O-N 2.81Å; I271-A274 VanDerWaalsContact O-N 3.12Å; L272-A274 PolarHBondContact O-N 3.38Å; A274-C277 PolarHBondContact O-N 2.84Å; A274-Y280 VanDerWaalsContact C-CD2 3.43Å; A274-Y280 HydrophobicContact CB-CD2 4.43Å; A274-Y280 HydrophobicContact CB-CE2 3.3Å; A274-Y280 VanDerWaalsContact CB-OH 3.27Å; A274-Y280 WeakPolarHBondContact CB-OH 3.3Å; A274-Y280 WeakPolarHBondContact O-CD2 3.49Å; A274-Y280 WeakPolarHBondContact O-CE2 3.34Å |
| 275 | S | 83.5 | Confident | 77.3 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 177.4 | 75 | 0 | 0 | 0 | 0 | 111.7 | I271 L272 C277 G278 Y280 A302 | I271-S275 PolarHBondContact O-N 2.94Å; L272-S275 PolarHBondContact O-N 3.04Å; L272-S275 PolarHBondContact O-OG 2.7Å; S275-C277 PolarHBondContact O-N 3.48Å; S275-G278 PolarHBondContact O-N 3.47Å; S275-G278 VanDerWaalsContact O-N 3.16Å; S275-Y280 VanDerWaalsContact CA-CD2 3.49Å; S275-A302 WeakPolarHBondContact CB-O 3.26Å; S275-A302 PolarHBondContact OG-O 3.32Å |
| 276 | L | 81 | Confident | 74.5 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 179 | -78.6 | 169.5 | 0 | 0 | 0 | 113.4 | L201 I210 L212 V221 A223 L272 G278 F301 | L201-L276 HydrophobicContact CD2-CD1 3.54Å; I210-L276 HydrophobicContact CD1-CD1 4.15Å; I210-L276 HydrophobicContact CD1-CD2 3.87Å; L212-L276 HydrophobicContact CD1-CB 3.24Å; L212-L276 HydrophobicContact CD1-CD1 3.77Å; L212-L276 HydrophobicContact CD1-CG 4.14Å; V221-L276 WeakPolarHBondContact CG1-O 3.34Å; A223-L276 HydrophobicContact CB-CD2 3.87Å; L272-L276 HydrophobicContact CD1-CD1 3.7Å; L272-L276 HydrophobicContact CD1-CG 4.12Å; L272-L276 HydrophobicContact CG-CD1 4.14Å; L272-L276 PolarHBondContact O-N 2.97Å; L272-L276 VanDerWaalsContact O-N 3.09Å; L276-G278 PolarHBondContact O-N 3.42Å; L276-F301 HydrophobicContact CD1-CE2 4.48Å; L276-F301 HydrophobicContact CD2-CD2 3.58Å; L276-F301 HydrophobicContact CD2-CE2 3.72Å; L276-F301 HydrophobicContact CG-CD2 4.36Å; L276-F301 HydrophobicContact CG-CE2 4.05Å |
| 277 | C | 79.3 | Confident | 71.5 | Confident | 52 Ų | 52 | 49 Ų | 49 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 6.5 | 175.3 | -72 | 0 | 0 | 0 | 0 | 114.1 | K273 A274 S275 K279 | K273-C277 PolarHBondContact O-N 3.28Å; K273-C277 VanDerWaalsContact O-N 3.17Å; K273-C277 PolarHBondContact O-SG 3.04Å; A274-C277 PolarHBondContact O-N 2.84Å; S275-C277 PolarHBondContact O-N 3.48Å; C277-K279 HydrophobicContact CB-CG 4.35Å; C277-K279 PolarHBondContact O-N 3.12Å; C277-K279 VanDerWaalsContact O-N 3.15Å |
| 278 | G | 68.3 | Low | 68.3 | Low | 17 Ų | 17 | 56.5 Ų | 56.5 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S275 L276 Y280 S281 | S275-G278 PolarHBondContact O-N 3.47Å; S275-G278 VanDerWaalsContact O-N 3.16Å; L276-G278 PolarHBondContact O-N 3.42Å; G278-Y280 PolarHBondContact O-N 2.96Å; G278-S281 PolarHBondContact O-N 3.31Å; G278-S281 PolarHBondContact O-OG 2.98Å; G278-S281 VanDerWaalsContact O-OG 3.08Å |
| 279 | K | 66 | Low | 65 | Low | 148 Ų | 148 | 60 Ų | 60 | 64% | 0.643 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.6 | 178.8 | -68.6 | -170.6 | 175.1 | -172.4 | 0 | 113.5 | C277 | C277-K279 HydrophobicContact CB-CG 4.35Å; C277-K279 PolarHBondContact O-N 3.12Å; C277-K279 VanDerWaalsContact O-N 3.15Å |
| 280 | Y | 63.9 | Low | 61.8 | Low | 14 Ų | 14 | 67.9 Ų | 67.9 | 6% | 0.055 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 1.2 | -176.1 | -59.2 | -102.2 | 0 | 0 | 0 | 112.3 | A274 S275 G278 K282 L283 I307 P312 | A274-Y280 VanDerWaalsContact C-CD2 3.43Å; A274-Y280 HydrophobicContact CB-CD2 4.43Å; A274-Y280 HydrophobicContact CB-CE2 3.3Å; A274-Y280 VanDerWaalsContact CB-OH 3.27Å; A274-Y280 WeakPolarHBondContact CB-OH 3.3Å; A274-Y280 WeakPolarHBondContact O-CD2 3.49Å; A274-Y280 WeakPolarHBondContact O-CE2 3.34Å; S275-Y280 VanDerWaalsContact CA-CD2 3.49Å; G278-Y280 PolarHBondContact O-N 2.96Å; Y280-K282 PolarHBondContact O-N 3.29Å; Y280-K282 VanDerWaalsContact O-N 3.08Å; Y280-L283 PolarHBondContact O-N 3.44Å; Y280-I307 HydrophobicContact CD1-CB 4.24Å; Y280-I307 HydrophobicContact CD1-CG1 3.97Å; Y280-I307 HydrophobicContact CD1-CG2 3.8Å; Y280-I307 HydrophobicContact CE1-CG2 3.73Å; Y280-I307 HydrophobicContact CG-CG1 4.25Å; Y280-I307 HydrophobicContact CG-CG2 4.42Å; Y280-P312 HydrophobicContact CD1-CG 4.23Å; Y280-P312 HydrophobicContact CE1-CG 3.59Å; Y280-P312 HydrophobicContact CE2-CG 4.35Å; Y280-P312 VanDerWaalsContact CZ-CD 3.45Å; Y280-P312 WeakPolarHBondContact OH-CD 3.31Å |
| 281 | S | 54.3 | Low | 58.7 | Low | 65 Ų | 65 | 71 Ų | 71 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.2 | -176.8 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | G278 L283 S285 | G278-S281 PolarHBondContact O-N 3.31Å; G278-S281 PolarHBondContact O-OG 2.98Å; G278-S281 VanDerWaalsContact O-OG 3.08Å; S281-L283 VanDerWaalsContact C-N 3.32Å; S281-L283 PolarHBondContact O-N 3.49Å; S281-S285 PolarHBondContact O-OG 2.83Å |
| 282 | K | 50.4 | Low | 55.8 | Low | 194 Ų | 194 | 79.1 Ų | 79.1 | 84% | 0.843 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.9 | 177 | -69.4 | -170.9 | 176.1 | -173.6 | 0 | 114.4 | Y280 | Y280-K282 PolarHBondContact O-N 3.29Å; Y280-K282 VanDerWaalsContact O-N 3.08Å |
| 283 | L | 50.9 | Low | 52.8 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -33.8 | -173.8 | -133.9 | 81.5 | 0 | 0 | 0 | 112.9 | Y280 S281 H310 | Y280-L283 PolarHBondContact O-N 3.44Å; S281-L283 VanDerWaalsContact C-N 3.32Å; S281-L283 PolarHBondContact O-N 3.49Å; L283-H310 HydrophobicContact CD2-CB 3.49Å; L283-H310 VanDerWaalsContact CD2-CB 3.49Å |
| 284 | S | 45.4 | Very low | 50 | Low | 45 Ų | 45 | 88.9 Ų | 88.9 | 32% | 0.315 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -85 | -3.9 | -178.9 | -52.3 | 0 | 0 | 0 | 0 | 114.3 | G286 | S284-G286 PolarHBondContact O-N 3.36Š|
| 285 | S | 43.4 | Very low | 47.5 | Very low | 96 Ų | 96 | 91.4 Ų | 91.4 | 67% | 0.671 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -74.2 | -1.4 | -179.1 | -53.8 | 0 | 0 | 0 | 0 | 114.5 | S281 | S281-S285 PolarHBondContact O-OG 2.83Š|
| 286 | G | 38.9 | Very low | 45.1 | Very low | 74 Ų | 74 | 96.7 Ų | 96.7 | 76% | 0.763 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -80.6 | -12.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S284 | S284-G286 PolarHBondContact O-N 3.36Š|
| 287 | T | 34.1 | Very low | 43.4 | Very low | 111 Ų | 111 | 106.6 Ų | 106.6 | 68% | 0.681 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -120.5 | 114.6 | -178.2 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 288 | N | 30.1 | Very low | 42 | Very low | 156 Ų | 156 | 105.4 Ų | 105.4 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | trans | 74.4 | 82.3 | 175 | -57.7 | -11.8 | 0 | 0 | 0 | 115.9 | I290 | N288-I290 PolarHBondContact O-N 3.24Š| ||
| 289 | G | 26.7 | Very low | 41.5 | Very low | 75 Ų | 75 | 107.8 Ų | 107.8 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | trans | -63.5 | 114.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 290 | I | 28.9 | Very low | 41.5 | Very low | 164 Ų | 164 | 105.3 Ų | 105.3 | 84% | 0.841 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -162.2 | 114 | 144.5 | -85.4 | 137.3 | 0 | 0 | 0 | 104.8 | N288 | N288-I290 PolarHBondContact O-N 3.24Š|
| 291 | G | 30.1 | Very low | 42 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 74% | 0.742 | 62% | 0.621 | S | S | * | * | trans | 46.4 | 86.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 292 | R | 31.6 | Very low | 43.1 | Very low | 171 Ų | 171 | 103 Ų | 103 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | trans | -103.7 | 105.1 | 151.2 | -80.5 | 177.9 | 100 | 148.8 | 0.1 | 109.3 | S298 V300 | R292-S298 PolarHBondContact NH2-O 2.99Å; R292-V300 VanDerWaalsContact NH1-CG2 3.3Å | ||
| 293 | N | 28.7 | Very low | 44.7 | Very low | 153 Ų | 153 | 93.9 Ų | 93.9 | 82% | 0.818 | 57% | 0.568 | S | S | * | * | trans | -55.7 | 136.5 | 168.4 | -72.5 | -30 | 0 | 0 | 0 | 109.9 | G295 | N293-G295 PolarHBondContact O-N 3.39Š| ||
| 294 | V | 29.9 | Very low | 46.3 | Very low | 142 Ų | 142 | 92.6 Ų | 92.6 | 86% | 0.861 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 14.4 | -172.7 | 176.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 295 | G | 31.5 | Very low | 48.4 | Very low | 66 Ų | 66 | 93.7 Ų | 93.7 | 68% | 0.68 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -17.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | N293 | N293-G295 PolarHBondContact O-N 3.39Š|
| 296 | D | 34.5 | Very low | 50.5 | Low | 124 Ų | 124 | 92.9 Ų | 92.9 | 66% | 0.663 | 55% | 0.547 | S | S | * | . | trans | -118.6 | 96.4 | -173.9 | -161.2 | 21.8 | 0 | 0 | 0 | 111 | S298 | D296-S298 PolarHBondContact O-N 2.96Å; D296-S298 PolarHBondContact OD2-OG 2.96Å | ||
| 297 | Y | 43.5 | Very low | 52.9 | Low | 216 Ų | 216 | 89.4 Ų | 89.4 | 85% | 0.847 | 51% | 0.511 | S | S | * | . | trans | -69.8 | 26.8 | 176.9 | -76.5 | -89.4 | 0 | 0 | 0 | 113 | N299 | Y297-N299 PolarHBondContact O-N 3.39Š| ||
| 298 | S | 50.8 | Low | 55.7 | Low | 26 Ų | 26 | 84.1 Ų | 84.1 | 18% | 0.182 | 48% | 0.479 | C | S | . | . | trans | -78.3 | 103.5 | 168.8 | 65.6 | 0 | 0 | 0 | 0 | 108.7 | R292 D296 V300 | R292-S298 PolarHBondContact NH2-O 2.99Å; D296-S298 PolarHBondContact O-N 2.96Å; D296-S298 PolarHBondContact OD2-OG 2.96Å; S298-V300 PolarHBondContact O-N 3.3Å; S298-V300 VanDerWaalsContact O-N 3.15Å | ||
| 299 | N | 57.4 | Low | 58.6 | Low | 67 Ų | 67 | 80.4 Ų | 80.4 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | trans | -59 | 121 | 171.1 | -86.9 | -21.5 | 0 | 0 | 0 | 107.8 | Y297 F301 | Y297-N299 PolarHBondContact O-N 3.39Å; N299-F301 PolarHBondContact O-N 3.36Å; N299-F301 VanDerWaalsContact O-N 3.14Å | ||
| 300 | V | 66.3 | Low | 61.6 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 58% | 0.582 | 44% | 0.443 | S | S | * | . | trans | -60.3 | 122.1 | 171.9 | 153.9 | 0 | 0 | 0 | 0 | 107.2 | R292 S298 A302 | R292-V300 VanDerWaalsContact NH1-CG2 3.3Å; S298-V300 PolarHBondContact O-N 3.3Å; S298-V300 VanDerWaalsContact O-N 3.15Å; V300-A302 PolarHBondContact O-N 3.17Å; V300-A302 VanDerWaalsContact O-N 3.11Å | ||
| 301 | F | 74.6 | Confident | 64.5 | Low | 10 Ų | 10 | 75 Ų | 75 | 4% | 0.044 | 41% | 0.407 | C | S | . | . | trans | -63.9 | 112.3 | 179.1 | -177.8 | -103.9 | 0 | 0 | 0 | 109.2 | I210 A223 C225 R230 Q233 L234 L272 L276 N299 Y303 | I210-F301 HydrophobicContact CD1-CD2 3.89Å; I210-F301 HydrophobicContact CD1-CE2 3.69Å; I210-F301 HydrophobicContact CD1-CZ 4.4Å; A223-F301 HydrophobicContact CB-CB 4.07Å; A223-F301 HydrophobicContact CB-CD2 4.2Å; C225-F301 HydrophobicContact CB-CB 3.99Å; R230-F301 HydrophobicContact CB-CD1 4.41Å; R230-F301 HydrophobicContact CB-CE1 4.42Å; R230-F301 HydrophobicContact CG-CD1 4.07Å; R230-F301 HydrophobicContact CG-CE1 3.83Å; R230-F301 HydrophobicContact CG-CZ 4.22Å; Q233-F301 HydrophobicContact CB-CE1 4.05Å; Q233-F301 PolarHBondContact OE1-O 2.66Å; L234-F301 HydrophobicContact CD1-CZ 4.37Å; L234-F301 HydrophobicContact CD2-CZ 3.77Å; L234-F301 HydrophobicContact CG-CE1 4.27Å; L234-F301 HydrophobicContact CG-CZ 3.89Å; L272-F301 HydrophobicContact CD1-CE2 3.99Å; L272-F301 HydrophobicContact CD1-CZ 4.11Å; L276-F301 HydrophobicContact CD1-CE2 4.48Å; L276-F301 HydrophobicContact CD2-CD2 3.58Å; L276-F301 HydrophobicContact CD2-CE2 3.72Å; L276-F301 HydrophobicContact CG-CD2 4.36Å; L276-F301 HydrophobicContact CG-CE2 4.05Å; N299-F301 PolarHBondContact O-N 3.36Å; N299-F301 VanDerWaalsContact O-N 3.14Å; F301-Y303 HydrophobicContact CZ-CG 4.49Å | ||
| 302 | A | 76.4 | Confident | 67.1 | Low | 22 Ų | 22 | 75.3 Ų | 75.3 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | -118.3 | 119.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | S275 V300 I307 | S275-A302 WeakPolarHBondContact CB-O 3.26Å; S275-A302 PolarHBondContact OG-O 3.32Å; V300-A302 PolarHBondContact O-N 3.17Å; V300-A302 VanDerWaalsContact O-N 3.11Å; A302-I307 HydrophobicContact CB-CD1 4.09Å; A302-I307 WeakPolarHBondContact O-CD1 3.48Å | ||
| 303 | Y | 84.6 | Confident | 69.9 | Low | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | trans | -142 | 75.8 | 171.6 | -164.9 | -95.3 | 0 | 0 | 0 | 108.1 | Q233 L234 W237 G268 I271 L272 F301 F308 | Q233-Y303 WeakPolarHBondContact O-CD1 3.46Å; L234-Y303 HydrophobicContact CD2-CD1 4Å; L234-Y303 HydrophobicContact CD2-CD2 4.43Å; L234-Y303 HydrophobicContact CD2-CE1 4.22Å; L234-Y303 HydrophobicContact CD2-CG 4.07Å; W237-Y303 HydrophobicContact CB-CE1 3.79Å; G268-Y303 PolarHBondContact O-OH 3.29Å; I271-Y303 HydrophobicContact CB-CE2 4.37Å; I271-Y303 HydrophobicContact CG2-CE2 3.92Å; L272-Y303 HydrophobicContact CB-CD2 4.28Å; L272-Y303 HydrophobicContact CB-CE2 3.64Å; L272-Y303 HydrophobicContact CD1-CD2 4.01Å; L272-Y303 HydrophobicContact CD1-CE2 4.19Å; F301-Y303 HydrophobicContact CZ-CG 4.49Å; Y303-F308 HydrophobicContact CD1-CE2 4.35Å; Y303-F308 AromaticContact CE1-CE2 3.92Å; Y303-F308 HydrophobicContact CE1-CE2 3.92Å; Y303-F308 AromaticContact CE1-CZ 3.83Å; Y303-F308 HydrophobicContact CE1-CZ 3.83Å; Y303-F308 HydrophobicContact CE2-CE2 4.2Å; Y303-F308 HydrophobicContact CE2-CZ 4.24Å; Y303-F308 AromaticContact CZ-CE2 3.88Å; Y303-F308 AromaticContact CZ-CZ 3.6Å; Y303-F308 WeakPolarHBondContact OH-CZ 3.5Å | ||
| 304 | D | 86 | Confident | 73 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -130.7 | -176.9 | -166.2 | 61.4 | 18.2 | 0 | 0 | 0 | 111.9 | E306 I307 F308 | D304-E306 VanDerWaalsContact C-N 3.35Å; D304-E306 PolarHBondContact O-N 3.21Å; D304-E306 PolarHBondContact OD1-N 3.44Å; D304-I307 PolarHBondContact OD1-N 2.95Å; D304-F308 VanDerWaalsContact O-CD2 3.23Å; D304-F308 WeakPolarHBondContact O-CD2 3.23Å |
| 305 | E | 89 | Confident | 76 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | -174.2 | -172.8 | 171.3 | 164.9 | 0 | 0 | 114.1 | L240 K243 I307 F308 K309 | L240-E305 HydrophobicContact CD2-CB 3.8Å; L240-E305 HydrophobicContact CD2-CG 4.17Å; K243-E305 HydrophobicContact CB-CG 4.48Å; K243-E305 HydrophobicContact CG-CG 4.15Å; E305-I307 VanDerWaalsContact C-N 3.34Å; E305-I307 PolarHBondContact O-N 3.12Å; E305-F308 PolarHBondContact O-N 3.13Å; E305-F308 VanDerWaalsContact O-N 3.11Å; E305-K309 HydrophobicContact CG-CD 4.2Å; E305-K309 HydrophobicContact CG-CG 4.36Å; E305-K309 PolarHBondContact O-N 2.9Å; E305-K309 WeakPolarHBondContact OE1-CE 3.33Å; E305-K309 IonicContact OE1-NZ 3.75Å; E305-K309 PolarHBondContact OE1-NZ 2.87Å |
| 306 | E | 87.2 | Confident | 79 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.3 | -35.9 | -175.7 | -66.2 | -54.9 | 118.2 | 0 | 0 | 112.1 | D304 F308 K309 H310 | D304-E306 VanDerWaalsContact C-N 3.35Å; D304-E306 PolarHBondContact O-N 3.21Å; D304-E306 PolarHBondContact OD1-N 3.44Å; E306-F308 PolarHBondContact O-N 3.23Å; E306-K309 PolarHBondContact O-N 3.18Å; E306-K309 IonicContact OE1-NZ 3.5Å; E306-K309 PolarHBondContact OE1-NZ 2.94Å; E306-H310 PolarHBondContact O-N 2.78Å; E306-H310 IonicContact OE2-CD2 3.9Å; E306-H310 PolarHBondContact OE2-CD2 3.49Å; E306-H310 IonicContact OE2-NE2 3.29Å |
| 307 | I | 89.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 173.6 | -72.2 | 175.1 | 0 | 0 | 0 | 111.8 | I271 Y280 A302 D304 E305 I311 | I271-I307 HydrophobicContact CG2-CG2 3.64Å; Y280-I307 HydrophobicContact CD1-CB 4.24Å; Y280-I307 HydrophobicContact CD1-CG1 3.97Å; Y280-I307 HydrophobicContact CD1-CG2 3.8Å; Y280-I307 HydrophobicContact CE1-CG2 3.73Å; Y280-I307 HydrophobicContact CG-CG1 4.25Å; Y280-I307 HydrophobicContact CG-CG2 4.42Å; A302-I307 HydrophobicContact CB-CD1 4.09Å; A302-I307 WeakPolarHBondContact O-CD1 3.48Å; D304-I307 PolarHBondContact OD1-N 2.95Å; E305-I307 VanDerWaalsContact C-N 3.34Å; E305-I307 PolarHBondContact O-N 3.12Å; I307-I311 PolarHBondContact O-N 3.15Å |
| 308 | F | 92.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -79.6 | -43.8 | -179.2 | -74.4 | -109.1 | 0 | 0 | 0 | 111.2 | L240 L241 K243 L244 I271 Y303 D304 E305 E306 H310 | L240-F308 HydrophobicContact CB-CB 4.44Å; L240-F308 HydrophobicContact CB-CD1 3.84Å; L240-F308 HydrophobicContact CB-CD2 3.71Å; L240-F308 HydrophobicContact CB-CE1 3.85Å; L240-F308 HydrophobicContact CB-CE2 3.73Å; L240-F308 HydrophobicContact CB-CG 3.75Å; L240-F308 HydrophobicContact CB-CZ 3.78Å; L240-F308 HydrophobicContact CD1-CD2 4Å; L240-F308 HydrophobicContact CD1-CE2 3.74Å; L240-F308 HydrophobicContact CD1-CZ 4.39Å; L240-F308 HydrophobicContact CG-CD2 4.46Å; L240-F308 HydrophobicContact CG-CE2 4.41Å; L240-F308 WeakPolarHBondContact O-CB 3.46Å; L240-F308 WeakPolarHBondContact O-CD1 2.93Å; L241-F308 HydrophobicContact CD2-CD1 4.46Å; L241-F308 HydrophobicContact CD2-CE1 3.96Å; L241-F308 HydrophobicContact CG-CE1 4.07Å; K243-F308 HydrophobicContact CB-CB 4.35Å; L244-F308 HydrophobicContact CD2-CB 4.48Å; L244-F308 HydrophobicContact CD2-CD1 4.29Å; L244-F308 WeakPolarHBondContact CD2-O 3.47Å; L244-F308 HydrophobicContact CG-CD1 4.22Å; I271-F308 HydrophobicContact CB-CZ 4.47Å; I271-F308 HydrophobicContact CD1-CD1 3.71Å; I271-F308 HydrophobicContact CD1-CE1 3.5Å; I271-F308 VanDerWaalsContact CD1-CE1 3.5Å; I271-F308 HydrophobicContact CD1-CZ 4.16Å; I271-F308 HydrophobicContact CG2-CD2 4.27Å; I271-F308 HydrophobicContact CG2-CE1 4.29Å; I271-F308 HydrophobicContact CG2-CE2 3.88Å; I271-F308 HydrophobicContact CG2-CZ 3.91Å; Y303-F308 HydrophobicContact CD1-CE2 4.35Å; Y303-F308 AromaticContact CE1-CE2 3.92Å; Y303-F308 HydrophobicContact CE1-CE2 3.92Å; Y303-F308 AromaticContact CE1-CZ 3.83Å; Y303-F308 HydrophobicContact CE1-CZ 3.83Å; Y303-F308 HydrophobicContact CE2-CE2 4.2Å; Y303-F308 HydrophobicContact CE2-CZ 4.24Å; Y303-F308 AromaticContact CZ-CE2 3.88Å; Y303-F308 AromaticContact CZ-CZ 3.6Å; Y303-F308 WeakPolarHBondContact OH-CZ 3.5Å; D304-F308 VanDerWaalsContact O-CD2 3.23Å; D304-F308 WeakPolarHBondContact O-CD2 3.23Å; E305-F308 PolarHBondContact O-N 3.13Å; E305-F308 VanDerWaalsContact O-N 3.11Å; E306-F308 PolarHBondContact O-N 3.23Å; F308-H310 VanDerWaalsContact C-N 3.3Å; F308-H310 PolarHBondContact O-N 3.13Å |
| 309 | K | 91.3 | Very high | 86.5 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 177.1 | -74.5 | 177.9 | -179.2 | 154.9 | 0 | 113.1 | K243 E305 E306 | K243-K309 HydrophobicContact CB-CG 4.24Å; K243-K309 WeakPolarHBondContact O-CA 3.04Å; E305-K309 HydrophobicContact CG-CD 4.2Å; E305-K309 HydrophobicContact CG-CG 4.36Å; E305-K309 PolarHBondContact O-N 2.9Å; E305-K309 WeakPolarHBondContact OE1-CE 3.33Å; E305-K309 IonicContact OE1-NZ 3.75Å; E305-K309 PolarHBondContact OE1-NZ 2.87Å; E306-K309 PolarHBondContact O-N 3.18Å; E306-K309 IonicContact OE1-NZ 3.5Å; E306-K309 PolarHBondContact OE1-NZ 2.94Å |
| 310 | H | 88.8 | Confident | 88.3 | Confident | 112 Ų | 112 | 50.6 Ų | 50.6 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 41.6 | -172 | -62.7 | -58 | 0 | 0 | 0 | 112.2 | L283 E306 F308 P312 | L283-H310 HydrophobicContact CD2-CB 3.49Å; L283-H310 VanDerWaalsContact CD2-CB 3.49Å; E306-H310 PolarHBondContact O-N 2.78Å; E306-H310 IonicContact OE2-CD2 3.9Å; E306-H310 PolarHBondContact OE2-CD2 3.49Å; E306-H310 IonicContact OE2-NE2 3.29Å; F308-H310 VanDerWaalsContact C-N 3.3Å; F308-H310 PolarHBondContact O-N 3.13Å; H310-P312 WeakPolarHBondContact O-CD 3.33Å |
| 311 | I | 89.7 | Confident | 89.7 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | trans | -58.5 | 123.5 | -178.9 | -166.4 | 173.9 | 0 | 0 | 0 | 111.2 | L244 P245 I271 I307 L313 L318 | L244-I311 HydrophobicContact CD2-CB 4.14Å; L244-I311 HydrophobicContact CD2-CD1 3.81Å; L244-I311 HydrophobicContact CD2-CG2 3.89Å; P245-I311 HydrophobicContact CG-CG2 4.31Å; I271-I311 HydrophobicContact CD1-CD1 4.06Å; I271-I311 HydrophobicContact CG1-CD1 3.81Å; I307-I311 PolarHBondContact O-N 3.15Å; I311-L313 HydrophobicContact CD1-CB 4.35Å; I311-L313 HydrophobicContact CD1-CD1 4.3Å; I311-L313 HydrophobicContact CG1-CB 4.16Å; I311-L313 HydrophobicContact CG1-CG 4.33Å; I311-L313 PolarHBondContact O-N 3.1Å; I311-L318 HydrophobicContact CD1-CD1 4.24Å; I311-L318 HydrophobicContact CD1-CD2 4.29Å | ||
| 312 | P | 85.4 | Confident | 90.7 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -81.7 | 21.7 | -177.4 | 35.9 | -37.7 | 0 | 0 | 0 | 112.3 | Y280 H310 | Y280-P312 HydrophobicContact CD1-CG 4.23Å; Y280-P312 HydrophobicContact CE1-CG 3.59Å; Y280-P312 HydrophobicContact CE2-CG 4.35Å; Y280-P312 VanDerWaalsContact CZ-CD 3.45Å; Y280-P312 WeakPolarHBondContact OH-CD 3.31Å; H310-P312 WeakPolarHBondContact O-CD 3.33Å |
| 313 | L | 90.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -113.8 | 126.8 | 176.8 | -61.4 | 177.4 | 0 | 0 | 0 | 107.2 | H248 V270 I311 K317 L318 K321 | H248-L313 PolarHBondContact NE2-O 3.47Å; V270-L313 HydrophobicContact CG1-CD1 4.07Å; I311-L313 HydrophobicContact CD1-CB 4.35Å; I311-L313 HydrophobicContact CD1-CD1 4.3Å; I311-L313 HydrophobicContact CG1-CB 4.16Å; I311-L313 HydrophobicContact CG1-CG 4.33Å; I311-L313 PolarHBondContact O-N 3.1Å; L313-K317 HydrophobicContact CD2-CD 3.82Å; L313-K317 HydrophobicContact CD2-CG 4.02Å; L313-L318 HydrophobicContact CB-CB 4.27Å; L313-L318 HydrophobicContact CD1-CD1 4.19Å; L313-K321 HydrophobicContact CD1-CD 3.98Å; L313-K321 HydrophobicContact CD2-CD 4.16Å |
| 314 | T | 93 | Very high | 92 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | trans | -62.4 | 158.1 | 166.8 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | S316 K317 L318 | T314-S316 VanDerWaalsContact C-N 3.33Å; T314-S316 PolarHBondContact O-N 2.83Å; T314-K317 PolarHBondContact O-N 3.36Å; T314-K317 WeakPolarHBondContact OG1-CB 3.38Å; T314-K317 PolarHBondContact OG1-N 2.93Å; T314-L318 PolarHBondContact O-N 2.87Å | ||
| 315 | P | 93.4 | Very high | 92.3 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 8% | 0.078 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.8 | -50.3 | 179.2 | -28.8 | 35.1 | 0 | 0 | 0 | 112.6 | E247 C251 K317 L318 M319 | E247-P315 HydrophobicContact CB-CG 4.04Å; E247-P315 HydrophobicContact CG-CG 3.72Å; E247-P315 WeakPolarHBondContact OE1-CD 3.41Å; C251-P315 HydrophobicContact CB-CB 4.41Å; P315-K317 VanDerWaalsContact C-N 3.32Å; P315-K317 PolarHBondContact O-N 3.45Å; P315-L318 WeakPolarHBondContact O-CB 3.48Å; P315-L318 PolarHBondContact O-N 3.48Å; P315-M319 VanDerWaalsContact O-CG 3.29Å; P315-M319 WeakPolarHBondContact O-CG 3.17Å; P315-M319 PolarHBondContact O-N 2.91Å |
| 316 | S | 93.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -52.7 | -43.8 | 173.4 | -85.8 | 0 | 0 | 0 | 0 | 114.4 | N53 T314 M319 R320 | N53-S316 VanDerWaalsContact CB-OG 3.31Å; N53-S316 WeakPolarHBondContact CB-OG 3.29Å; N53-S316 PolarHBondContact ND2-OG 2.99Å; N53-S316 PolarHBondContact OD1-N 3.09Å; N53-S316 PolarHBondContact OD1-OG 3.2Å; T314-S316 VanDerWaalsContact C-N 3.33Å; T314-S316 PolarHBondContact O-N 2.83Å; S316-M319 PolarHBondContact O-N 3.33Å; S316-R320 WeakPolarHBondContact O-CB 3.29Å; S316-R320 PolarHBondContact O-N 3.13Å |
| 317 | K | 94.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 57.3 Ų | 57.3 | 46% | 0.457 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.2 | -35.5 | -176.4 | -165.1 | 175.1 | -175.6 | 173.8 | 0 | 111.1 | L313 T314 P315 K321 | L313-K317 HydrophobicContact CD2-CD 3.82Å; L313-K317 HydrophobicContact CD2-CG 4.02Å; T314-K317 PolarHBondContact O-N 3.36Å; T314-K317 WeakPolarHBondContact OG1-CB 3.38Å; T314-K317 PolarHBondContact OG1-N 2.93Å; P315-K317 VanDerWaalsContact C-N 3.32Å; P315-K317 PolarHBondContact O-N 3.45Å; K317-K321 WeakPolarHBondContact O-CB 3.46Å; K317-K321 WeakPolarHBondContact O-CG 3.4Å; K317-K321 PolarHBondContact O-N 3.48Å; K317-K321 VanDerWaalsContact O-N 3.15Å |
| 318 | L | 95.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -53.3 | 171.1 | 176.7 | 60.7 | 0 | 0 | 0 | 110.2 | H248 V270 I311 L313 T314 P315 R320 K321 M322 | H248-L318 HydrophobicContact CB-CD2 4.43Å; V270-L318 HydrophobicContact CB-CD1 4.31Å; V270-L318 HydrophobicContact CG1-CD1 3.83Å; I311-L318 HydrophobicContact CD1-CD1 4.24Å; I311-L318 HydrophobicContact CD1-CD2 4.29Å; L313-L318 HydrophobicContact CB-CB 4.27Å; L313-L318 HydrophobicContact CD1-CD1 4.19Å; T314-L318 PolarHBondContact O-N 2.87Å; P315-L318 WeakPolarHBondContact O-CB 3.48Å; P315-L318 PolarHBondContact O-N 3.48Å; L318-R320 PolarHBondContact O-N 3.17Å; L318-K321 WeakPolarHBondContact O-CB 3.39Å; L318-K321 PolarHBondContact O-N 3.25Å; L318-K321 VanDerWaalsContact O-N 3.11Å; L318-M322 HydrophobicContact CD1-CG 4.09Å; L318-M322 HydrophobicContact CD1-SD 4.02Å; L318-M322 HydrophobicContact CD2-SD 4.41Å; L318-M322 HydrophobicContact CG-CG 4.36Å; L318-M322 HydrophobicContact CG-SD 3.78Å; L318-M322 VanDerWaalsContact O-CG 3.31Å; L318-M322 WeakPolarHBondContact O-CG 3.42Å; L318-M322 PolarHBondContact O-N 3.16Å |
| 319 | M | 96.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.7 | -49.9 | 179.2 | -67.2 | -63 | -89.3 | 0 | 0 | 111.9 | C251 L252 S255 P315 S316 K321 M322 F323 | C251-M319 HydrophobicContact CB-CE 4.49Å; C251-M319 HydrophobicContact CB-CG 4.29Å; C251-M319 HydrophobicContact CB-SD 4.4Å; C251-M319 VanDerWaalsContact O-CE 3.25Å; C251-M319 WeakPolarHBondContact O-CE 3.45Å; L252-M319 HydrophobicContact CD2-SD 4.29Å; S255-M319 WeakPolarHBondContact OG-CE 3.42Å; P315-M319 VanDerWaalsContact O-CG 3.29Å; P315-M319 WeakPolarHBondContact O-CG 3.17Å; P315-M319 PolarHBondContact O-N 2.91Å; S316-M319 PolarHBondContact O-N 3.33Å; M319-K321 VanDerWaalsContact C-N 3.3Å; M319-K321 PolarHBondContact O-N 2.75Å; M319-M322 WeakPolarHBondContact O-CB 3.32Å; M319-M322 PolarHBondContact O-N 3.34Å; M319-M322 VanDerWaalsContact O-N 3.13Å; M319-M322 HydrophobicContact SD-SD 4.24Å; M319-F323 HydrophobicContact CE-CE2 3.75Å; M319-F323 HydrophobicContact CE-CZ 4.46Å; M319-F323 WeakPolarHBondContact O-CD2 3.45Å; M319-F323 PolarHBondContact O-N 3.23Å; M319-F323 VanDerWaalsContact O-N 3.08Å; M319-F323 HydrophobicContact SD-CE2 4.05Å |
| 320 | R | 95.9 | Very high | 92.7 | Very high | 182 Ų | 182 | 64 Ų | 64 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56 | -43.9 | 177.3 | -166.4 | -174.5 | -54.7 | 167.7 | 3.5 | 112.1 | S316 L318 S324 | S316-R320 WeakPolarHBondContact O-CB 3.29Å; S316-R320 PolarHBondContact O-N 3.13Å; L318-R320 PolarHBondContact O-N 3.17Å; R320-S324 WeakPolarHBondContact O-CB 3.27Å; R320-S324 PolarHBondContact O-N 3.24Å; R320-S324 VanDerWaalsContact O-N 3.08Å |
| 321 | K | 95 | Very high | 93 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 177.4 | -78 | 176.8 | 173.4 | -70.7 | 0 | 111.9 | V270 L313 K317 L318 M319 F323 S324 L325 | V270-K321 HydrophobicContact CG1-CB 3.78Å; V270-K321 HydrophobicContact CG1-CD 4.11Å; V270-K321 HydrophobicContact CG2-CB 3.96Å; L313-K321 HydrophobicContact CD1-CD 3.98Å; L313-K321 HydrophobicContact CD2-CD 4.16Å; K317-K321 WeakPolarHBondContact O-CB 3.46Å; K317-K321 WeakPolarHBondContact O-CG 3.4Å; K317-K321 PolarHBondContact O-N 3.48Å; K317-K321 VanDerWaalsContact O-N 3.15Å; L318-K321 WeakPolarHBondContact O-CB 3.39Å; L318-K321 PolarHBondContact O-N 3.25Å; L318-K321 VanDerWaalsContact O-N 3.11Å; M319-K321 VanDerWaalsContact C-N 3.3Å; M319-K321 PolarHBondContact O-N 2.75Å; K321-F323 VanDerWaalsContact C-N 3.34Å; K321-F323 PolarHBondContact O-N 3.14Å; K321-S324 PolarHBondContact O-N 3.32Å; K321-S324 PolarHBondContact O-OG 3.45Å; K321-L325 PolarHBondContact O-N 2.85Å |
| 322 | M | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | -179.2 | -74.5 | 172.4 | 53.3 | 0 | 0 | 112.4 | L252 V263 R266 A267 V270 L318 M319 L325 | L252-M322 HydrophobicContact CD2-CE 3.41Å; L252-M322 VanDerWaalsContact CD2-CE 3.41Å; L252-M322 HydrophobicContact CD2-SD 3.46Å; L252-M322 WeakPolarHBondContact CD2-SD 3.36Å; V263-M322 HydrophobicContact CG1-CE 3.68Å; V263-M322 WeakPolarHBondContact O-CE 3.45Å; R266-M322 HydrophobicContact CB-CB 3.97Å; R266-M322 HydrophobicContact CB-CE 4.02Å; R266-M322 HydrophobicContact CB-CG 4.23Å; R266-M322 PolarHBondContact NH1-O 2.89Å; A267-M322 HydrophobicContact CB-CE 3.89Å; A267-M322 HydrophobicContact CB-CG 4.46Å; A267-M322 HydrophobicContact CB-SD 3.74Å; V270-M322 HydrophobicContact CB-CG 4.36Å; V270-M322 HydrophobicContact CG2-CB 4.36Å; V270-M322 HydrophobicContact CG2-CG 3.85Å; L318-M322 HydrophobicContact CD1-CG 4.09Å; L318-M322 HydrophobicContact CD1-SD 4.02Å; L318-M322 HydrophobicContact CD2-SD 4.41Å; L318-M322 HydrophobicContact CG-CG 4.36Å; L318-M322 HydrophobicContact CG-SD 3.78Å; L318-M322 VanDerWaalsContact O-CG 3.31Å; L318-M322 WeakPolarHBondContact O-CG 3.42Å; L318-M322 PolarHBondContact O-N 3.16Å; M319-M322 WeakPolarHBondContact O-CB 3.32Å; M319-M322 PolarHBondContact O-N 3.34Å; M319-M322 VanDerWaalsContact O-N 3.13Å; M319-M322 HydrophobicContact SD-SD 4.24Å; M322-L325 PolarHBondContact O-N 3.16Å |
| 323 | F | 94.9 | Very high | 93.8 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 17% | 0.171 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -84 | -15 | -179.1 | -62.6 | -69.2 | 0 | 0 | 0 | 113.4 | R50 E259 M319 K321 L325 | R50-F323 HydrophobicContact CB-CD2 3.9Å; R50-F323 HydrophobicContact CB-CE2 4.06Å; R50-F323 HydrophobicContact CB-CG 4.4Å; R50-F323 HydrophobicContact CG-CD1 3.96Å; R50-F323 HydrophobicContact CG-CD2 3.62Å; R50-F323 HydrophobicContact CG-CE1 3.87Å; R50-F323 HydrophobicContact CG-CE2 3.57Å; R50-F323 HydrophobicContact CG-CG 3.85Å; R50-F323 HydrophobicContact CG-CZ 3.69Å; E259-F323 VanDerWaalsContact OE1-CE1 3.3Å; E259-F323 WeakPolarHBondContact OE1-CE1 3.43Å; M319-F323 HydrophobicContact CE-CE2 3.75Å; M319-F323 HydrophobicContact CE-CZ 4.46Å; M319-F323 WeakPolarHBondContact O-CD2 3.45Å; M319-F323 PolarHBondContact O-N 3.23Å; M319-F323 VanDerWaalsContact O-N 3.08Å; M319-F323 HydrophobicContact SD-CE2 4.05Å; K321-F323 VanDerWaalsContact C-N 3.34Å; K321-F323 PolarHBondContact O-N 3.14Å; F323-L325 VanDerWaalsContact C-N 3.31Å |
| 324 | S | 94.2 | Very high | 94.1 | Very high | 78 Ų | 78 | 66.4 Ų | 66.4 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.8 | -20.7 | 168.2 | 77.8 | 0 | 0 | 0 | 0 | 113.8 | R320 K321 R326 | R320-S324 WeakPolarHBondContact O-CB 3.27Å; R320-S324 PolarHBondContact O-N 3.24Å; R320-S324 VanDerWaalsContact O-N 3.08Å; K321-S324 PolarHBondContact O-N 3.32Å; K321-S324 PolarHBondContact O-OG 3.45Å; S324-R326 PolarHBondContact O-N 3.43Å; S324-R326 VanDerWaalsContact O-N 3.15Å |
| 325 | L | 92.3 | Very high | 94.2 | Very high | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.131 | 33% | 0.327 | C | S | . | . | trans | -63.5 | 116.3 | 176.5 | -68.5 | -179 | 0 | 0 | 0 | 110.1 | L200 R266 L269 V270 K321 M322 F323 V328 | L200-L325 HydrophobicContact CD1-CD2 3.82Å; R266-L325 PolarHBondContact NH1-O 3.39Å; L269-L325 HydrophobicContact CB-CD1 3.8Å; L269-L325 HydrophobicContact CD1-CD1 4.41Å; V270-L325 HydrophobicContact CG2-CD1 3.66Å; V270-L325 HydrophobicContact CG2-CG 4.09Å; K321-L325 PolarHBondContact O-N 2.85Å; M322-L325 PolarHBondContact O-N 3.16Å; F323-L325 VanDerWaalsContact C-N 3.31Å; L325-V328 HydrophobicContact CB-CG2 4.08Å | ||
| 326 | R | 88.7 | Confident | 94.3 | Very high | 214 Ų | 214 | 66.2 Ų | 66.2 | 81% | 0.808 | 32% | 0.324 | S | S | * | . | trans | -83.8 | 152.7 | 173.7 | -63.9 | -170.9 | -176.5 | -178 | 0.7 | 110.3 | S324 V328 | S324-R326 PolarHBondContact O-N 3.43Å; S324-R326 VanDerWaalsContact O-N 3.15Å; R326-V328 VanDerWaalsContact C-N 3.32Å; R326-V328 PolarHBondContact O-N 3.39Å | ||
| 327 | G | 87.4 | Confident | 94.3 | Very high | 38 Ų | 38 | 65.6 Ų | 65.6 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 76.4 | 8.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116 | C198 S329 K332 | C198-G327 PolarHBondContact SG-O 3.5Å; G327-S329 PolarHBondContact O-N 3.3Å; G327-K332 WeakPolarHBondContact O-CD 3.18Å |
| 328 | V | 93.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | trans | -90.2 | 83.9 | 170.3 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | L194 R266 L269 L325 R326 I333 | L194-V328 HydrophobicContact CD2-CG1 4.23Å; R266-V328 HydrophobicContact CG-CB 4.18Å; R266-V328 HydrophobicContact CG-CG1 3.96Å; R266-V328 HydrophobicContact CG-CG2 4.43Å; R266-V328 PolarHBondContact NH2-O 2.95Å; L269-V328 HydrophobicContact CD1-CG1 4.36Å; L269-V328 HydrophobicContact CD1-CG2 3.74Å; L325-V328 HydrophobicContact CB-CG2 4.08Å; R326-V328 VanDerWaalsContact C-N 3.32Å; R326-V328 PolarHBondContact O-N 3.39Å; V328-I333 HydrophobicContact CG1-CD1 4.32Å | ||
| 329 | S | 93.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 69.9 Ų | 69.9 | 33% | 0.329 | 34% | 0.341 | S | S | . | . | trans | -102.8 | 160 | 179.8 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | G327 I331 K332 I333 | G327-S329 PolarHBondContact O-N 3.3Å; S329-I331 PolarHBondContact O-N 3.31Å; S329-K332 PolarHBondContact O-N 2.93Å; S329-K332 PolarHBondContact OG-N 2.84Å; S329-I333 WeakPolarHBondContact O-CG1 3.41Å; S329-I333 PolarHBondContact O-N 2.85Å | ||
| 330 | R | 93.9 | Very high | 93.8 | Very high | 168 Ų | 168 | 69.9 Ų | 69.9 | 63% | 0.634 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.5 | -38.2 | 174.3 | -69.2 | -176.4 | -177.1 | 171.7 | -0.3 | 111.9 | E259 I333 A334 | E259-R330 PolarHBondContact O-NH2 2.76Å; R330-I333 PolarHBondContact O-N 2.89Å; R330-A334 PolarHBondContact O-N 2.83Å |
| 331 | I | 95.5 | Very high | 93.2 | Very high | 134 Ų | 134 | 66.7 Ų | 66.7 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 177.3 | -61.4 | 170.2 | 0 | 0 | 0 | 110.8 | S329 I333 A334 Q335 | S329-I331 PolarHBondContact O-N 3.31Å; I331-I333 VanDerWaalsContact C-N 3.34Å; I331-I333 PolarHBondContact O-N 3.08Å; I331-A334 PolarHBondContact O-N 2.69Å; I331-Q335 WeakPolarHBondContact O-CB 3.36Å; I331-Q335 PolarHBondContact O-N 2.94Å |
| 332 | K | 96.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 67.8 Ų | 67.8 | 27% | 0.265 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.2 | -33.4 | 178.5 | -80.4 | 179 | 166.4 | -159.5 | 0 | 113.1 | L194 L197 G327 S329 Q335 A336 | L194-K332 HydrophobicContact CD1-CB 4.11Å; L197-K332 PolarHBondContact O-NZ 2.91Å; G327-K332 WeakPolarHBondContact O-CD 3.18Å; S329-K332 PolarHBondContact O-N 2.93Å; S329-K332 PolarHBondContact OG-N 2.84Å; K332-Q335 PolarHBondContact O-N 2.68Å; K332-A336 WeakPolarHBondContact O-CB 3.27Å; K332-A336 PolarHBondContact O-N 3.07Å |
| 333 | I | 96.5 | Very high | 91.7 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.072 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64 | -49.1 | 172.6 | -67.7 | 164.8 | 0 | 0 | 0 | 110 | L194 K262 Y265 V328 S329 R330 I331 Q335 A336 I337 | L194-I333 HydrophobicContact CD1-CG1 4.04Å; L194-I333 HydrophobicContact CD2-CG1 3.89Å; K262-I333 HydrophobicContact CB-CD1 3.66Å; Y265-I333 HydrophobicContact CD2-CD1 3.82Å; Y265-I333 HydrophobicContact CD2-CG1 4.25Å; Y265-I333 HydrophobicContact CD2-CG2 4.03Å; Y265-I333 HydrophobicContact CE1-CG2 4.23Å; Y265-I333 HydrophobicContact CE2-CD1 4.43Å; Y265-I333 HydrophobicContact CE2-CG2 3.55Å; Y265-I333 HydrophobicContact CG-CD1 4.07Å; Y265-I333 HydrophobicContact CG-CG1 4.24Å; V328-I333 HydrophobicContact CG1-CD1 4.32Å; S329-I333 WeakPolarHBondContact O-CG1 3.41Å; S329-I333 PolarHBondContact O-N 2.85Å; R330-I333 PolarHBondContact O-N 2.89Å; I331-I333 VanDerWaalsContact C-N 3.34Å; I331-I333 PolarHBondContact O-N 3.08Å; I333-Q335 VanDerWaalsContact C-N 3.28Å; I333-Q335 PolarHBondContact O-N 2.92Å; I333-A336 WeakPolarHBondContact O-CB 3.49Å; I333-A336 PolarHBondContact O-N 3.41Å; I333-A336 VanDerWaalsContact O-N 3.13Å; I333-I337 HydrophobicContact CG2-CD1 3.9Å; I333-I337 WeakPolarHBondContact O-CG1 3.31Å; I333-I337 PolarHBondContact O-N 3.31Å |
| 334 | A | 95.2 | Very high | 90.5 | Very high | 58 Ų | 58 | 76.6 Ų | 76.6 | 48% | 0.479 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R330 I331 I337 K338 | R330-A334 PolarHBondContact O-N 2.83Å; I331-A334 PolarHBondContact O-N 2.69Å; A334-I337 PolarHBondContact O-N 3.19Å; A334-K338 WeakPolarHBondContact O-CB 3.23Å; A334-K338 PolarHBondContact O-N 3.12Å |
| 335 | Q | 96.2 | Very high | 89.5 | Confident | 94 Ų | 94 | 74.7 Ų | 74.7 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 173.7 | -174 | -179.7 | 0.2 | 0 | 0 | 111.7 | L197 I331 K332 I333 I337 K338 S339 | L197-Q335 HydrophobicContact CD1-CB 4.05Å; L197-Q335 HydrophobicContact CD1-CG 3.91Å; I331-Q335 WeakPolarHBondContact O-CB 3.36Å; I331-Q335 PolarHBondContact O-N 2.94Å; K332-Q335 PolarHBondContact O-N 2.68Å; I333-Q335 VanDerWaalsContact C-N 3.28Å; I333-Q335 PolarHBondContact O-N 2.92Å; Q335-I337 PolarHBondContact O-N 3.27Å; Q335-K338 PolarHBondContact O-N 3.03Å; Q335-S339 WeakPolarHBondContact O-CB 3.16Å; Q335-S339 PolarHBondContact O-N 3.32Å; Q335-S339 PolarHBondContact O-OG 3Å; Q335-S339 VanDerWaalsContact O-OG 3.12Å |
| 336 | A | 96.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E193 L194 L197 K332 I333 S339 V340 | E193-A336 HydrophobicContact CB-CB 4.09Å; L194-A336 HydrophobicContact CB-CB 3.92Å; L194-A336 HydrophobicContact CD1-CB 4.5Å; L197-A336 HydrophobicContact CD1-CB 4.04Å; K332-A336 WeakPolarHBondContact O-CB 3.27Å; K332-A336 PolarHBondContact O-N 3.07Å; I333-A336 WeakPolarHBondContact O-CB 3.49Å; I333-A336 PolarHBondContact O-N 3.41Å; I333-A336 VanDerWaalsContact O-N 3.13Å; A336-S339 PolarHBondContact O-N 2.74Å; A336-V340 PolarHBondContact O-N 2.8Å |
| 337 | I | 93.8 | Very high | 87.8 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 175.4 | -69.2 | 165.7 | 0 | 0 | 0 | 110.4 | E186 H187 I333 A334 Q335 S339 V340 Q341 | E186-I337 HydrophobicContact CB-CG2 4.09Å; H187-I337 WeakPolarHBondContact NE2-CD1 3.25Å; I333-I337 HydrophobicContact CG2-CD1 3.9Å; I333-I337 WeakPolarHBondContact O-CG1 3.31Å; I333-I337 PolarHBondContact O-N 3.31Å; A334-I337 PolarHBondContact O-N 3.19Å; Q335-I337 PolarHBondContact O-N 3.27Å; I337-S339 VanDerWaalsContact C-N 3.27Å; I337-S339 PolarHBondContact O-N 3.48Å; I337-V340 WeakPolarHBondContact O-CG2 3.31Å; I337-V340 PolarHBondContact O-N 3.32Å; I337-Q341 PolarHBondContact O-N 3.11Å |
| 338 | K | 92 | Very high | 87.4 | Confident | 152 Ų | 152 | 74.2 Ų | 74.2 | 66% | 0.661 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.4 | -36.2 | 177.7 | -168.8 | 175.3 | -176.9 | 177.2 | 0 | 112.4 | A334 Q335 V340 Q341 | A334-K338 WeakPolarHBondContact O-CB 3.23Å; A334-K338 PolarHBondContact O-N 3.12Å; Q335-K338 PolarHBondContact O-N 3.03Å; K338-V340 VanDerWaalsContact C-N 3.27Å; K338-V340 PolarHBondContact O-N 3.27Å; K338-Q341 PolarHBondContact O-N 3.1Å |
| 339 | S | 92.2 | Very high | 86.6 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.6 | -28.6 | 176.1 | -70 | 0 | 0 | 0 | 0 | 113.2 | Q335 A336 I337 S342 L343 | Q335-S339 WeakPolarHBondContact O-CB 3.16Å; Q335-S339 PolarHBondContact O-N 3.32Å; Q335-S339 PolarHBondContact O-OG 3Å; Q335-S339 VanDerWaalsContact O-OG 3.12Å; A336-S339 PolarHBondContact O-N 2.74Å; I337-S339 VanDerWaalsContact C-N 3.27Å; I337-S339 PolarHBondContact O-N 3.48Å; S339-S342 PolarHBondContact O-OG 3.08Å; S339-L343 WeakPolarHBondContact O-CD1 3.35Å |
| 340 | V | 91.1 | Very high | 85.6 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -83.5 | -18.4 | 178.7 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | E186 L189 E193 A336 I337 K338 S342 L343 | E186-V340 HydrophobicContact CB-CG2 3.95Å; E186-V340 HydrophobicContact CG-CG2 4.34Å; E186-V340 WeakPolarHBondContact O-CG2 3.3Å; L189-V340 HydrophobicContact CB-CB 4.03Å; L189-V340 HydrophobicContact CB-CG1 3.87Å; L189-V340 HydrophobicContact CB-CG2 4.23Å; E193-V340 HydrophobicContact CG-CG1 3.93Å; A336-V340 PolarHBondContact O-N 2.8Å; I337-V340 WeakPolarHBondContact O-CG2 3.31Å; I337-V340 PolarHBondContact O-N 3.32Å; K338-V340 VanDerWaalsContact C-N 3.27Å; K338-V340 PolarHBondContact O-N 3.27Å; V340-S342 PolarHBondContact O-N 2.9Å; V340-L343 HydrophobicContact CB-CD1 4.12Å; V340-L343 HydrophobicContact CG1-CD1 3.73Å; V340-L343 PolarHBondContact O-N 3.16Å; V340-L343 VanDerWaalsContact O-N 3.15Å |
| 341 | Q | 83.3 | Confident | 84.7 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -27.1 | 176 | -69.7 | 173.4 | -16.2 | 0 | 0 | 112.9 | E186 I337 K338 | E186-Q341 HydrophobicContact CG-CG 4.1Å; E186-Q341 WeakPolarHBondContact OE2-CG 3.43Å; E186-Q341 PolarHBondContact OE2-NE2 3.28Å; I337-Q341 PolarHBondContact O-N 3.11Å; K338-Q341 PolarHBondContact O-N 3.1Å |
| 342 | S | 78.5 | Confident | 84.2 | Confident | 103 Ų | 103 | 71 Ų | 71 | 72% | 0.72 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1.8 | 176.4 | 60 | 0 | 0 | 0 | 0 | 114 | S339 V340 Q344 | S339-S342 PolarHBondContact O-OG 3.08Å; V340-S342 PolarHBondContact O-N 2.9Å; S342-Q344 PolarHBondContact O-N 3.22Å |
| 343 | L | 79.5 | Confident | 83.6 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | trans | -80.6 | 120.1 | -177.9 | -95.3 | 158.6 | 0 | 0 | 0 | 110.7 | E193 S339 V340 | E193-L343 HydrophobicContact CG-CD1 3.98Å; S339-L343 WeakPolarHBondContact O-CD1 3.35Å; V340-L343 HydrophobicContact CB-CD1 4.12Å; V340-L343 HydrophobicContact CG1-CD1 3.73Å; V340-L343 PolarHBondContact O-N 3.16Å; V340-L343 VanDerWaalsContact O-N 3.15Å | ||
| 344 | Q | 71.5 | Confident | 83 | Confident | 173 Ų | 173 | 68.2 Ų | 68.2 | 81% | 0.808 | 36% | 0.355 | S | S | * | . | trans | -74.7 | 130 | 164.1 | -74.4 | -179.3 | -18.5 | 0 | 0 | 109.9 | R231 S342 | R231-Q344 PolarHBondContact NH1-O 3.11Å; R231-Q344 VanDerWaalsContact NH1-O 3.11Å; S342-Q344 PolarHBondContact O-N 3.22Å | ||
| 345 | V | 71.2 | Confident | 82.3 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | trans | -123.3 | 131.8 | 177.7 | -120 | 0 | 0 | 0 | 0 | 108.5 | L189 F347 V349 | L189-V345 HydrophobicContact CD1-CG2 4.37Å; V345-F347 HydrophobicContact CB-CD1 4.3Å; V345-F347 HydrophobicContact CB-CE1 4.12Å; V345-F347 HydrophobicContact CG1-CD1 3.88Å; V345-F347 HydrophobicContact CG1-CE1 3.31Å; V345-F347 HydrophobicContact CG1-CZ 3.84Å; V345-F347 PolarHBondContact O-N 2.74Å; V345-V349 HydrophobicContact CB-CG2 4.01Å; V345-V349 HydrophobicContact CG2-CG2 3.68Å | ||
| 346 | N | 70.6 | Confident | 81.4 | Confident | 135 Ų | 135 | 65.7 Ų | 65.7 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -91.7 | 29.9 | -174.2 | -66 | -17.3 | 0 | 0 | 0 | 112.6 | ||
| 347 | F | 76.4 | Confident | 80.2 | Confident | 37 Ų | 37 | 66 Ų | 66 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -138.5 | 153.4 | 172.1 | 62.8 | -91.3 | 0 | 0 | 0 | 109.4 | L189 D228 R231 L232 V345 V349 | L189-F347 HydrophobicContact CD2-CZ 4.28Å; D228-F347 HydrophobicContact CB-CD1 4Å; R231-F347 HydrophobicContact CB-CE1 3.98Å; R231-F347 HydrophobicContact CB-CZ 4.38Å; L232-F347 HydrophobicContact CB-CE1 4.23Å; L232-F347 HydrophobicContact CB-CE2 4.11Å; L232-F347 HydrophobicContact CB-CZ 3.94Å; L232-F347 HydrophobicContact CD1-CD2 4.2Å; L232-F347 HydrophobicContact CD1-CE2 3.76Å; L232-F347 HydrophobicContact CD1-CZ 4.36Å; L232-F347 HydrophobicContact CG-CE2 4.44Å; V345-F347 HydrophobicContact CB-CD1 4.3Å; V345-F347 HydrophobicContact CB-CE1 4.12Å; V345-F347 HydrophobicContact CG1-CD1 3.88Å; V345-F347 HydrophobicContact CG1-CE1 3.31Å; V345-F347 HydrophobicContact CG1-CZ 3.84Å; V345-F347 PolarHBondContact O-N 2.74Å; F347-V349 VanDerWaalsContact C-N 3.31Å; F347-V349 HydrophobicContact CD2-CB 4.49Å; F347-V349 HydrophobicContact CD2-CG2 3.97Å; F347-V349 HydrophobicContact CE2-CB 4.16Å; F347-V349 HydrophobicContact CE2-CG1 4.29Å; F347-V349 HydrophobicContact CE2-CG2 3.66Å; F347-V349 HydrophobicContact CZ-CG2 4.16Å; F347-V349 WeakPolarHBondContact O-CG2 3.36Å; F347-V349 PolarHBondContact O-N 3.15Å |
| 348 | D | 77.7 | Confident | 78.7 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | trans | -72.3 | 88.6 | 177.5 | -173.2 | -13.3 | 0 | 0 | 0 | 109.8 | D350 K351 E352 | D348-D350 PolarHBondContact O-N 3.13Å; D348-D350 PolarHBondContact OD1-N 3.26Å; D348-K351 HydrophobicContact CB-CB 4.03Å; D348-K351 VanDerWaalsContact CG-CB 3.41Å; D348-K351 PolarHBondContact O-N 2.98Å; D348-K351 PolarHBondContact OD1-N 3.07Å; D348-K351 WeakPolarHBondContact OD2-CB 3.44Å; D348-E352 WeakPolarHBondContact O-CG 3.12Å; D348-E352 PolarHBondContact O-N 3.24Å; D348-E352 VanDerWaalsContact O-N 3.14Å | ||
| 349 | V | 76.5 | Confident | 76.5 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -36.5 | -177.6 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | K185 L189 V345 F347 E352 L353 | K185-V349 HydrophobicContact CD-CB 3.8Å; K185-V349 HydrophobicContact CD-CG1 3.53Å; K185-V349 HydrophobicContact CD-CG2 4.49Å; K185-V349 HydrophobicContact CG-CB 4.42Å; K185-V349 HydrophobicContact CG-CG1 3.61Å; L189-V349 HydrophobicContact CD1-CG1 4.28Å; V345-V349 HydrophobicContact CB-CG2 4.01Å; V345-V349 HydrophobicContact CG2-CG2 3.68Å; F347-V349 VanDerWaalsContact C-N 3.31Å; F347-V349 HydrophobicContact CD2-CB 4.49Å; F347-V349 HydrophobicContact CD2-CG2 3.97Å; F347-V349 HydrophobicContact CE2-CB 4.16Å; F347-V349 HydrophobicContact CE2-CG1 4.29Å; F347-V349 HydrophobicContact CE2-CG2 3.66Å; F347-V349 HydrophobicContact CZ-CG2 4.16Å; F347-V349 WeakPolarHBondContact O-CG2 3.36Å; F347-V349 PolarHBondContact O-N 3.15Å; V349-E352 PolarHBondContact O-N 3.39Å; V349-L353 HydrophobicContact CG1-CD1 3.45Å; V349-L353 VanDerWaalsContact CG1-CD1 3.45Å; V349-L353 HydrophobicContact CG1-CG 4.08Å; V349-L353 VanDerWaalsContact O-CB 3.31Å; V349-L353 WeakPolarHBondContact O-CB 3.43Å; V349-L353 WeakPolarHBondContact O-CG 3.32Å; V349-L353 PolarHBondContact O-N 3.42Å |
| 350 | D | 73.2 | Confident | 74 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.7 | -46.2 | -176.8 | -65.8 | -26.4 | 0 | 0 | 0 | 109.5 | K185 D348 E352 I354 | K185-D350 WeakPolarHBondContact CD-OD1 3.43Å; K185-D350 IonicContact NZ-OD1 3.83Å; K185-D350 PolarHBondContact NZ-OD1 3.43Å; K185-D350 IonicContact NZ-OD2 3.25Å; K185-D350 PolarHBondContact NZ-OD2 3.35Å; D348-D350 PolarHBondContact O-N 3.13Å; D348-D350 PolarHBondContact OD1-N 3.26Å; D350-E352 VanDerWaalsContact C-N 3.29Å; D350-E352 PolarHBondContact O-N 3.39Å; D350-I354 CarbonylContact O-C 3.55Å; D350-I354 VanDerWaalsContact O-CA 3.27Å; D350-I354 WeakPolarHBondContact O-CA 2.99Å; D350-I354 VanDerWaalsContact O-CB 3.25Å; D350-I354 WeakPolarHBondContact O-CB 3.32Å; D350-I354 PolarHBondContact O-N 3.49Å |
| 351 | K | 75.2 | Confident | 71.4 | Confident | 147 Ų | 147 | 73.5 Ų | 73.5 | 64% | 0.639 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.2 | -36.6 | 175.8 | -173.2 | 177.6 | -178.9 | 179.9 | 0 | 113.4 | D348 Q355 | D348-K351 HydrophobicContact CB-CB 4.03Å; D348-K351 VanDerWaalsContact CG-CB 3.41Å; D348-K351 PolarHBondContact O-N 2.98Å; D348-K351 PolarHBondContact OD1-N 3.07Å; D348-K351 WeakPolarHBondContact OD2-CB 3.44Å; K351-Q355 PolarHBondContact O-NE2 3.12Å |
| 352 | E | 83.8 | Confident | 69.3 | Low | 60 Ų | 60 | 73 Ų | 73 | 28% | 0.28 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -83.3 | -31.3 | -175.8 | -71.6 | -64.6 | 145.3 | 0 | 0 | 114.3 | L232 R236 D348 V349 D350 | L232-E352 HydrophobicContact CD1-CB 3.69Å; L232-E352 HydrophobicContact CD1-CG 4.05Å; L232-E352 HydrophobicContact CD2-CG 4.25Å; R236-E352 IonicContact CZ-OE2 2.78Å; R236-E352 IonicContact NH2-OE2 2.82Å; R236-E352 PolarHBondContact NH2-OE2 3.3Å; D348-E352 WeakPolarHBondContact O-CG 3.12Å; D348-E352 PolarHBondContact O-N 3.24Å; D348-E352 VanDerWaalsContact O-N 3.14Å; V349-E352 PolarHBondContact O-N 3.39Å; D350-E352 VanDerWaalsContact C-N 3.29Å; D350-E352 PolarHBondContact O-N 3.39Å |
| 353 | L | 85 | Confident | 67.5 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -115.5 | -16.6 | -172.7 | -55.3 | -177.5 | 0 | 0 | 0 | 113.9 | N110 W184 C188 L232 A235 R236 V349 | N110-L353 PolarHBondContact ND2-O 3Å; W184-L353 PolarHBondContact NE1-O 2.96Å; W184-L353 VanDerWaalsContact NE1-O 3.08Å; C188-L353 HydrophobicContact CB-CD1 3.68Å; L232-L353 HydrophobicContact CD1-CD2 4.18Å; A235-L353 HydrophobicContact CB-CD1 3.72Å; A235-L353 HydrophobicContact CB-CD2 4.22Å; R236-L353 HydrophobicContact CG-CD2 3.89Å; V349-L353 HydrophobicContact CG1-CD1 3.45Å; V349-L353 VanDerWaalsContact CG1-CD1 3.45Å; V349-L353 HydrophobicContact CG1-CG 4.08Å; V349-L353 VanDerWaalsContact O-CB 3.31Å; V349-L353 WeakPolarHBondContact O-CB 3.43Å; V349-L353 WeakPolarHBondContact O-CG 3.32Å; V349-L353 PolarHBondContact O-N 3.42Å |
| 354 | I | 82.8 | Confident | 65.8 | Low | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.077 | 38% | 0.384 | C | S | . | . | trans | -121.3 | 95.5 | -177.1 | -53.3 | -178.7 | 0 | 0 | 0 | 108.4 | Y143 K181 K185 D350 P356 | Y143-I354 HydrophobicContact CE1-CG2 4.19Å; Y143-I354 HydrophobicContact CE2-CG2 4.06Å; K181-I354 HydrophobicContact CB-CD1 3.84Å; K181-I354 HydrophobicContact CD-CG2 3.98Å; K181-I354 HydrophobicContact CG-CD1 4.33Å; K181-I354 HydrophobicContact CG-CG2 3.92Å; K181-I354 VanDerWaalsContact O-CD1 3.32Å; K181-I354 WeakPolarHBondContact O-CD1 3.38Å; K185-I354 HydrophobicContact CB-CD1 4.38Å; D350-I354 CarbonylContact O-C 3.55Å; D350-I354 VanDerWaalsContact O-CA 3.27Å; D350-I354 WeakPolarHBondContact O-CA 2.99Å; D350-I354 VanDerWaalsContact O-CB 3.25Å; D350-I354 WeakPolarHBondContact O-CB 3.32Å; D350-I354 PolarHBondContact O-N 3.49Å; I354-P356 HydrophobicContact CG2-CG 4.1Å; I354-P356 WeakPolarHBondContact O-CD 3.41Å | ||
| 355 | Q | 82 | Confident | 64.6 | Low | 61 Ų | 61 | 63.4 Ų | 63.4 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | trans | -118.1 | 79.8 | 176.1 | -63.2 | -176.8 | 11.8 | 0 | 0 | 108.6 | N110 Q111 M112 K351 | N110-Q355 CarbonylContact C-O 3.59Å; N110-Q355 VanDerWaalsContact CA-O 3.25Å; N110-Q355 WeakPolarHBondContact CA-O 3.35Å; N110-Q355 PolarHBondContact ND2-N 3.4Å; Q111-Q355 HydrophobicContact CB-CB 4.24Å; Q111-Q355 PolarHBondContact N-O 3.31Å; M112-Q355 VanDerWaalsContact CG-OE1 3.27Å; K351-Q355 PolarHBondContact O-NE2 3.12Å | ||
| 356 | P | 75.9 | Confident | 63.4 | Low | 38 Ų | 38 | 62 Ų | 62 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -59.4 | 146.7 | 178.9 | -18 | 32.2 | 0 | 0 | 0 | 109.9 | Q111 Y143 I354 N358 | Q111-P356 PolarHBondContact NE2-O 3.13Å; Y143-P356 HydrophobicContact CE2-CG 4.42Å; I354-P356 HydrophobicContact CG2-CG 4.1Å; I354-P356 WeakPolarHBondContact O-CD 3.41Å; P356-N358 VanDerWaalsContact C-N 3.3Å; P356-N358 PolarHBondContact O-N 2.78Å |
| 357 | C | 72.6 | Confident | 62.1 | Low | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | trans | -70 | 89.6 | 174.2 | -63 | 0 | 0 | 0 | 0 | 110.3 | Y106 S109 Q111 T364 | Y106-C357 HydrophobicContact CD1-CB 4.44Å; Y106-C357 HydrophobicContact CG-CB 4.38Å; Y106-C357 WeakPolarHBondContact O-CB 3.01Å; S109-C357 PolarHBondContact O-N 3.16Å; S109-C357 VanDerWaalsContact O-N 3.13Å; S109-C357 PolarHBondContact O-SG 3.34Å; S109-C357 VanDerWaalsContact O-SG 3.35Å; Q111-C357 HydrophobicContact CG-CB 4.32Å; C357-T364 WeakPolarHBondContact O-CG2 3.5Å | ||
| 358 | N | 61.9 | Low | 60.8 | Low | 79 Ų | 79 | 55.5 Ų | 55.5 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | trans | -113 | 158.9 | 166.8 | 65.8 | 13.6 | 0 | 0 | 0 | 110.2 | Q111 P356 | Q111-N358 PolarHBondContact NE2-O 2.93Å; P356-N358 VanDerWaalsContact C-N 3.3Å; P356-N358 PolarHBondContact O-N 2.78Å | ||
| 359 | K | 45.2 | Very low | 59.1 | Low | 99 Ų | 99 | 51.3 Ų | 51.3 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -117.5 | 142.4 | 161.1 | -76.5 | -177 | -179.8 | -174.1 | 0 | 106.9 | L102 L103 G361 K362 | L102-K359 HydrophobicContact CB-CD 4.11Å; L102-K359 HydrophobicContact CD1-CD 4.09Å; L103-K359 HydrophobicContact CD2-CG 4.21Å; K359-G361 PolarHBondContact O-N 2.94Å; K359-G361 VanDerWaalsContact O-N 3.16Å; K359-K362 HydrophobicContact CB-CB 4.17Å; K359-K362 PolarHBondContact O-N 3.34Å |
| 360 | S | 40.6 | Very low | 57.5 | Low | 132 Ų | 132 | 53.3 Ų | 53.3 | 92% | 0.923 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 124.7 | 172.2 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | K362 | S360-K362 VanDerWaalsContact C-N 3.35Å; S360-K362 PolarHBondContact O-N 2.87Å |
| 361 | G | 36.2 | Very low | 55.7 | Low | 78 Ų | 78 | 53 Ų | 53 | 80% | 0.804 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 8.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | K359 | K359-G361 PolarHBondContact O-N 2.94Å; K359-G361 VanDerWaalsContact O-N 3.16Å |
| 362 | K | 38.7 | Very low | 53.9 | Low | 105 Ų | 105 | 47.9 Ų | 47.9 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -135.8 | 114 | 173.2 | -58.4 | -170.6 | 177.3 | -165.6 | 0 | 110 | L102 L103 K359 S360 | L102-K362 HydrophobicContact CD1-CD 4.04Å; L102-K362 VanDerWaalsContact CD1-NZ 3.27Å; L103-K362 HydrophobicContact CD1-CB 4.27Å; L103-K362 WeakPolarHBondContact CD1-O 3.34Å; K359-K362 HydrophobicContact CB-CB 4.17Å; K359-K362 PolarHBondContact O-N 3.34Å; S360-K362 VanDerWaalsContact C-N 3.35Å; S360-K362 PolarHBondContact O-N 2.87Å |
| 363 | N | 41.2 | Very low | 51.6 | Low | 56 Ų | 56 | 53.6 Ų | 53.6 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | trans | -80.9 | 149 | 176.8 | -63.7 | -4.9 | 0 | 0 | 0 | 109.9 | F365 T394 | N363-F365 PolarHBondContact O-N 3.46Å; N363-T394 HydrophobicContact CB-CG2 3.65Å; N363-T394 WeakPolarHBondContact ND2-CA 3.08Å; N363-T394 WeakPolarHBondContact ND2-CB 3.39Å; N363-T394 PolarHBondContact ND2-O 2.77Å; N363-T394 VanDerWaalsContact ND2-O 3.08Å | ||
| 364 | T | 44.1 | Very low | 49.3 | Very low | 46 Ų | 46 | 57.2 Ų | 57.2 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | trans | -53.9 | 126.5 | 163.6 | 28.6 | 0 | 0 | 0 | 0 | 107.8 | L103 E107 C357 A366 | L103-T364 HydrophobicContact CB-CG2 4.49Å; L103-T364 HydrophobicContact CD1-CG2 4.42Å; E107-T364 HydrophobicContact CB-CG2 4.27Å; E107-T364 HydrophobicContact CG-CG2 4.21Å; C357-T364 WeakPolarHBondContact O-CG2 3.5Å; T364-A366 PolarHBondContact O-N 2.78Å | ||
| 365 | F | 46.5 | Very low | 47.2 | Very low | 24 Ų | 24 | 65.2 Ų | 65.2 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | trans | -45.4 | 136.2 | -170.4 | -139.6 | -87.2 | 0 | 0 | 0 | 110.8 | S101 F135 N363 A367 L370 | S101-F365 VanDerWaalsContact CB-CD2 3.44Å; F135-F365 HydrophobicContact CE1-CB 4.48Å; F135-F365 WeakPolarHBondContact CE1-O 3.25Å; F135-F365 WeakPolarHBondContact CZ-O 3.45Å; N363-F365 PolarHBondContact O-N 3.46Å; F365-A367 PolarHBondContact O-N 2.74Å; F365-A367 VanDerWaalsContact O-N 3.16Å; F365-L370 HydrophobicContact CD1-CD1 3.6Å; F365-L370 HydrophobicContact CD1-CD2 4.3Å; F365-L370 HydrophobicContact CD1-CG 3.73Å; F365-L370 HydrophobicContact CE1-CD1 3.44Å; F365-L370 VanDerWaalsContact CE1-CD1 3.44Å; F365-L370 HydrophobicContact CE1-CD2 3.31Å; F365-L370 HydrophobicContact CE1-CG 3.19Å; F365-L370 HydrophobicContact CG-CD1 4.43Å; F365-L370 HydrophobicContact CZ-CD1 4.05Å; F365-L370 HydrophobicContact CZ-CD2 3.57Å; F365-L370 HydrophobicContact CZ-CG 3.95Å | ||
| 366 | A | 45.8 | Very low | 45.5 | Very low | 7 Ų | 7 | 72 Ų | 72 | 6% | 0.058 | 43% | 0.426 | C | S | . | . | trans | -80 | 97.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | T364 Y368 L369 | T364-A366 PolarHBondContact O-N 2.78Å; A366-Y368 HydrophobicContact CB-CD1 4.28Å; A366-Y368 HydrophobicContact CB-CE1 3.71Å; A366-Y368 HydrophobicContact CB-CE2 4.12Å; A366-Y368 PolarHBondContact O-N 3.28Å; A366-Y368 VanDerWaalsContact O-N 3.08Å; A366-L369 HydrophobicContact CB-CD1 3.82Å; A366-L369 HydrophobicContact CB-CG 4.1Å; A366-L369 WeakPolarHBondContact O-CB 3.45Å; A366-L369 PolarHBondContact O-N 3.14Å | ||
| 367 | A | 42.5 | Very low | 44.4 | Very low | 3 Ų | 3 | 74.6 Ų | 74.6 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -51 | -35.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F135 I136 F365 L369 L370 | F135-A367 HydrophobicContact CD1-CB 3.48Å; F135-A367 VanDerWaalsContact CD1-CB 3.48Å; F135-A367 HydrophobicContact CE1-CB 3.19Å; F135-A367 HydrophobicContact CG-CB 4.41Å; F135-A367 HydrophobicContact CZ-CB 3.95Å; I136-A367 HydrophobicContact CB-CB 4.25Å; I136-A367 HydrophobicContact CG1-CB 3.88Å; F365-A367 PolarHBondContact O-N 2.74Å; F365-A367 VanDerWaalsContact O-N 3.16Å; A367-L369 PolarHBondContact O-N 3.03Å; A367-L369 VanDerWaalsContact O-N 3.13Å; A367-L370 PolarHBondContact O-N 3.33Å; A367-L370 VanDerWaalsContact O-N 3.1Å |
| 368 | Y | 50.2 | Low | 44.1 | Very low | 32 Ų | 32 | 81.2 Ų | 81.2 | 13% | 0.125 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -65.4 | -12.4 | 178.8 | 64.3 | -107 | 0 | 0 | 0 | 113.9 | A366 Y401 F405 K406 P407 L582 | A366-Y368 HydrophobicContact CB-CD1 4.28Å; A366-Y368 HydrophobicContact CB-CE1 3.71Å; A366-Y368 HydrophobicContact CB-CE2 4.12Å; A366-Y368 PolarHBondContact O-N 3.28Å; A366-Y368 VanDerWaalsContact O-N 3.08Å; Y368-Y401 PolarHBondContact OH-O 3.38Å; Y368-F405 WeakPolarHBondContact CE1-O 3.37Å; Y368-F405 PolarHBondContact OH-O 3.25Å; Y368-K406 HydrophobicContact CD2-CG 4.1Å; Y368-K406 HydrophobicContact CG-CG 4.25Å; Y368-P407 HydrophobicContact CD2-CG 4.26Å; Y368-P407 HydrophobicContact CE2-CG 3.65Å; Y368-L582 HydrophobicContact CD1-CD1 4.29Å; Y368-L582 HydrophobicContact CD1-CD2 4.02Å; Y368-L582 HydrophobicContact CE1-CD1 4.37Å |
| 369 | L | 41.7 | Very low | 45 | Very low | 8 Ų | 8 | 80.1 Ų | 80.1 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -83.2 | -17.1 | 175.7 | -66.1 | 177 | 0 | 0 | 0 | 112.6 | A366 A367 S386 L389 A390 I393 P407 | A366-L369 HydrophobicContact CB-CD1 3.82Å; A366-L369 HydrophobicContact CB-CG 4.1Å; A366-L369 WeakPolarHBondContact O-CB 3.45Å; A366-L369 PolarHBondContact O-N 3.14Å; A367-L369 PolarHBondContact O-N 3.03Å; A367-L369 VanDerWaalsContact O-N 3.13Å; L369-S386 WeakPolarHBondContact O-CB 3.21Å; L369-S386 PolarHBondContact O-OG 3.01Å; L369-L389 HydrophobicContact CD2-CD2 3.91Å; L369-L389 HydrophobicContact CD2-CG 4.27Å; L369-A390 VanDerWaalsContact CD1-CA 3.42Å; L369-A390 HydrophobicContact CD1-CB 3.42Å; L369-A390 VanDerWaalsContact CD1-CB 3.42Å; L369-I393 HydrophobicContact CD1-CD1 4.32Å; L369-I393 HydrophobicContact CD2-CD1 4.37Å; L369-P407 HydrophobicContact CD2-CG 3.71Å |
| 370 | L | 42 | Very low | 47.1 | Very low | 53 Ų | 53 | 76.2 Ų | 76.2 | 28% | 0.277 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -87.3 | 112.9 | 170.7 | -62.2 | 175.4 | 0 | 0 | 0 | 107.2 | H132 I136 F365 A367 G372 | H132-L370 WeakPolarHBondContact NE2-CD1 3.28Å; I136-L370 HydrophobicContact CD1-CD1 4.18Å; F365-L370 HydrophobicContact CD1-CD1 3.6Å; F365-L370 HydrophobicContact CD1-CD2 4.3Å; F365-L370 HydrophobicContact CD1-CG 3.73Å; F365-L370 HydrophobicContact CE1-CD1 3.44Å; F365-L370 VanDerWaalsContact CE1-CD1 3.44Å; F365-L370 HydrophobicContact CE1-CD2 3.31Å; F365-L370 HydrophobicContact CE1-CG 3.19Å; F365-L370 HydrophobicContact CG-CD1 4.43Å; F365-L370 HydrophobicContact CZ-CD1 4.05Å; F365-L370 HydrophobicContact CZ-CD2 3.57Å; F365-L370 HydrophobicContact CZ-CG 3.95Å; A367-L370 PolarHBondContact O-N 3.33Å; A367-L370 VanDerWaalsContact O-N 3.1Å; L370-G372 VanDerWaalsContact C-N 3.28Å; L370-G372 PolarHBondContact O-N 2.88Å |
| 371 | G | 36.3 | Very low | 49.6 | Very low | 65 Ų | 65 | 70.3 Ų | 70.3 | 67% | 0.67 | 40% | 0.404 | S | S | * | . | trans | -57.4 | 94.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 372 | G | 36.6 | Very low | 52 | Low | 39 Ų | 39 | 71.1 Ų | 71.1 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | trans | -95.9 | 136.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L370 A374 | L370-G372 VanDerWaalsContact C-N 3.28Å; L370-G372 PolarHBondContact O-N 2.88Å; G372-A374 PolarHBondContact O-N 2.67Å | ||
| 373 | D | 35.4 | Very low | 54.5 | Low | 180 Ų | 180 | 66.8 Ų | 66.8 | 96% | 0.963 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -65.4 | 32.8 | -168.8 | -71.6 | -46.6 | 0 | 0 | 0 | 116.8 | ||
| 374 | A | 36.7 | Very low | 56.9 | Low | 76 Ų | 76 | 64.5 Ų | 64.5 | 63% | 0.628 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -101.7 | 95.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G372 | G372-A374 PolarHBondContact O-N 2.67Š|
| 375 | E | 38.6 | Very low | 59 | Low | 182 Ų | 182 | 64.9 Ų | 64.9 | 85% | 0.85 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 58.7 | 89.1 | 175.6 | -65 | -173.7 | 162.1 | 0 | 0 | 116.1 | Q377 | E375-Q377 VanDerWaalsContact C-N 3.27Å; E375-Q377 PolarHBondContact O-N 3.11Å |
| 376 | K | 46.3 | Very low | 60.6 | Low | 204 Ų | 204 | 65.2 Ų | 65.2 | 89% | 0.887 | 37% | 0.367 | S | S | * | . | trans | 21.4 | 60.6 | 161.6 | -71.2 | -177 | 178.3 | 176.9 | 0 | 114.4 | I378 | K376-I378 VanDerWaalsContact C-N 3.28Å; K376-I378 PolarHBondContact O-N 2.75Å | ||
| 377 | Q | 52.7 | Low | 62.2 | Low | 93 Ų | 93 | 68.2 Ų | 68.2 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | trans | -72.9 | 94.5 | 170.2 | -73.5 | -160.1 | 23.4 | 0 | 0 | 107.4 | E375 H379 K406 | E375-Q377 VanDerWaalsContact C-N 3.27Å; E375-Q377 PolarHBondContact O-N 3.11Å; Q377-H379 PolarHBondContact O-N 3.47Å; Q377-H379 VanDerWaalsContact O-N 3.16Å; Q377-K406 VanDerWaalsContact OE1-NZ 3.08Å | ||
| 378 | I | 66.4 | Low | 64.4 | Low | 145 Ų | 145 | 70.2 Ų | 70.2 | 74% | 0.744 | 39% | 0.391 | S | S | * | . | trans | -62.6 | 116.9 | 175.8 | -62.2 | 169.3 | 0 | 0 | 0 | 106.6 | K376 | K376-I378 VanDerWaalsContact C-N 3.28Å; K376-I378 PolarHBondContact O-N 2.75Å | ||
| 379 | H | 82.3 | Confident | 66.3 | Low | 56 Ų | 56 | 68.7 Ų | 68.7 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | trans | -51.1 | 132.7 | 173.3 | -175.8 | -89.7 | 0 | 0 | 0 | 109 | Q377 S381 V384 S386 | Q377-H379 PolarHBondContact O-N 3.47Å; Q377-H379 VanDerWaalsContact O-N 3.16Å; H379-S381 PolarHBondContact ND1-N 3.22Å; H379-S381 PolarHBondContact ND1-O 2.98Å; H379-S381 PolarHBondContact O-N 2.86Å; H379-S381 VanDerWaalsContact O-N 3.14Å; H379-V384 PolarHBondContact CE1-O 2.88Å; H379-S386 PolarHBondContact CD2-OG 3.34Å; H379-S386 VanDerWaalsContact CD2-OG 3.32Å; H379-S386 WeakPolarHBondContact NE2-CA 3.17Å; H379-S386 PolarHBondContact NE2-N 3.41Å | ||
| 380 | P | 88.3 | Confident | 68.3 | Low | 16 Ų | 16 | 68.9 Ų | 68.9 | 10% | 0.104 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -74.3 | -7.9 | -166.6 | 31.6 | -38.6 | 0 | 0 | 0 | 113.8 | L389 P407 R409 I577 | P380-L389 HydrophobicContact CG-CD2 3.4Å; P380-P407 HydrophobicContact CG-CB 4.3Å; P380-P407 HydrophobicContact CG-CG 4.3Å; P380-R409 VanDerWaalsContact O-CB 3.29Å; P380-R409 WeakPolarHBondContact O-CB 3.35Å; P380-R409 WeakPolarHBondContact O-CD 3.43Å; P380-R409 WeakPolarHBondContact O-CG 3.4Å; P380-I577 HydrophobicContact CB-CD1 4.26Å; P380-I577 HydrophobicContact CB-CG2 4.45Å; P380-I577 WeakPolarHBondContact O-CD1 3.47Å |
| 381 | S | 92.4 | Very high | 70.4 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | trans | -131 | 144.2 | 179.6 | 172.6 | 0 | 0 | 0 | 0 | 112.5 | H379 C383 V384 L438 E575 | H379-S381 PolarHBondContact ND1-N 3.22Å; H379-S381 PolarHBondContact ND1-O 2.98Å; H379-S381 PolarHBondContact O-N 2.86Å; H379-S381 VanDerWaalsContact O-N 3.14Å; S381-C383 PolarHBondContact OG-N 3.13Å; S381-C383 VanDerWaalsContact OG-N 3.12Å; S381-C383 PolarHBondContact OG-SG 2.93Å; S381-C383 VanDerWaalsContact OG-SG 3.39Å; S381-V384 WeakPolarHBondContact OG-CG2 3.48Å; S381-V384 PolarHBondContact OG-N 3.25Å; S381-L438 WeakPolarHBondContact OG-CD1 3.07Å; S381-E575 WeakPolarHBondContact CA-OE1 3.17Å; S381-E575 WeakPolarHBondContact CA-OE2 3.39Å; S381-E575 VanDerWaalsContact CB-OE2 3.3Å; S381-E575 WeakPolarHBondContact CB-OE2 3.45Å; S381-E575 PolarHBondContact OG-OE2 3.4Å | ||
| 382 | E | 88.3 | Confident | 73 | Confident | 95 Ų | 95 | 65.5 Ų | 65.5 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -90.6 | -14.4 | 172.3 | -66.7 | 171.3 | -141.8 | 0 | 0 | 113.2 | R409 N414 L573 E575 | E382-R409 IonicContact OE1-NH1 3.58Å; E382-R409 PolarHBondContact OE1-NH1 2.96Å; E382-N414 PolarHBondContact OE2-ND2 3.13Å; E382-L573 HydrophobicContact CB-CD2 4.02Å; E382-E575 PolarHBondContact N-OE1 2.92Å; E382-E575 PolarHBondContact N-OE2 3.02Å; E382-E575 VanDerWaalsContact N-OE2 3.17Å |
| 383 | C | 89.7 | Confident | 75.6 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 10% | 0.095 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -106 | -23.5 | -175.9 | 62 | 0 | 0 | 0 | 0 | 115.1 | S381 R440 I447 L573 E575 | S381-C383 PolarHBondContact OG-N 3.13Å; S381-C383 VanDerWaalsContact OG-N 3.12Å; S381-C383 PolarHBondContact OG-SG 2.93Å; S381-C383 VanDerWaalsContact OG-SG 3.39Å; C383-R440 HydrophobicContact CB-CB 4.03Å; C383-R440 HydrophobicContact CB-CG 4.43Å; C383-I447 HydrophobicContact CB-CD1 4.31Å; C383-I447 WeakPolarHBondContact O-CD1 3.07Å; C383-L573 HydrophobicContact CB-CD2 4.04Å; C383-E575 PolarHBondContact SG-OE2 2.66Å |
| 384 | V | 91.5 | Very high | 77.8 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -114 | 149.6 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | H379 S381 E388 L389 L438 I447 I475 | H379-V384 PolarHBondContact CE1-O 2.88Å; S381-V384 WeakPolarHBondContact OG-CG2 3.48Å; S381-V384 PolarHBondContact OG-N 3.25Å; V384-E388 HydrophobicContact CB-CB 3.98Å; V384-L389 HydrophobicContact CG2-CB 3.97Å; V384-L438 HydrophobicContact CG1-CD1 4.27Å; V384-L438 HydrophobicContact CG1-CD2 3.94Å; V384-L438 HydrophobicContact CG2-CD1 3.91Å; V384-I447 HydrophobicContact CG1-CG2 3.98Å; V384-I475 HydrophobicContact CB-CD1 4.46Å; V384-I475 HydrophobicContact CG1-CD1 3.42Å; V384-I475 VanDerWaalsContact CG1-CD1 3.42Å |
| 385 | S | 88.1 | Confident | 80.3 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | trans | -76.7 | 163.3 | 169.1 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | N387 E388 L389 | S385-N387 PolarHBondContact O-N 2.83Å; S385-E388 WeakPolarHBondContact CB-OE2 3.26Å; S385-E388 PolarHBondContact N-OE2 2.79Å; S385-E388 PolarHBondContact O-N 3.22Å; S385-E388 VanDerWaalsContact O-N 3.13Å; S385-E388 VanDerWaalsContact OG-CD 3.32Å; S385-E388 WeakPolarHBondContact OG-CG 3.21Å; S385-E388 PolarHBondContact OG-N 3.34Å; S385-E388 PolarHBondContact OG-OE2 3.37Å; S385-L389 PolarHBondContact O-N 3.3Å | ||
| 386 | S | 81.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.3 | -38.5 | 172.7 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | L369 H379 A390 | L369-S386 WeakPolarHBondContact O-CB 3.21Å; L369-S386 PolarHBondContact O-OG 3.01Å; H379-S386 PolarHBondContact CD2-OG 3.34Å; H379-S386 VanDerWaalsContact CD2-OG 3.32Å; H379-S386 WeakPolarHBondContact NE2-CA 3.17Å; H379-S386 PolarHBondContact NE2-N 3.41Å; S386-A390 WeakPolarHBondContact O-CB 3.48Å; S386-A390 PolarHBondContact O-N 3.15Å |
| 387 | N | 78.5 | Confident | 84.2 | Confident | 69 Ų | 69 | 40.4 Ų | 40.4 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.9 | -39.9 | -179.8 | -75.8 | -20.6 | 0 | 0 | 0 | 112.3 | S100 S385 S391 | S100-N387 PolarHBondContact OG-ND2 2.96Å; S100-N387 PolarHBondContact OG-OD1 3.39Å; S385-N387 PolarHBondContact O-N 2.83Å; N387-S391 WeakPolarHBondContact O-CB 3.36Å; N387-S391 PolarHBondContact O-N 3.12Å; N387-S391 PolarHBondContact O-OG 2.83Å |
| 388 | E | 88.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 175.9 | -73 | 161.4 | 142.9 | 0 | 0 | 110.3 | V384 S385 A390 S391 I392 I475 | V384-E388 HydrophobicContact CB-CB 3.98Å; S385-E388 WeakPolarHBondContact CB-OE2 3.26Å; S385-E388 PolarHBondContact N-OE2 2.79Å; S385-E388 PolarHBondContact O-N 3.22Å; S385-E388 VanDerWaalsContact O-N 3.13Å; S385-E388 VanDerWaalsContact OG-CD 3.32Å; S385-E388 WeakPolarHBondContact OG-CG 3.21Å; S385-E388 PolarHBondContact OG-N 3.34Å; S385-E388 PolarHBondContact OG-OE2 3.37Å; E388-A390 PolarHBondContact O-N 3.27Å; E388-S391 WeakPolarHBondContact O-CB 3.3Å; E388-S391 PolarHBondContact O-N 3.46Å; E388-S391 VanDerWaalsContact O-N 3.13Å; E388-I392 WeakPolarHBondContact O-CG1 3.4Å; E388-I392 PolarHBondContact O-N 2.74Å; E388-I475 HydrophobicContact CB-CD1 4.4Å; E388-I475 HydrophobicContact CB-CG2 4.38Å; E388-I475 HydrophobicContact CG-CG2 3.84Å; E388-I475 WeakPolarHBondContact OE1-CG2 3.34Å |
| 389 | L | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 175 | -176.3 | 59.8 | 0 | 0 | 0 | 111.8 | L369 P380 V384 S385 S391 I392 I393 P407 I436 | L369-L389 HydrophobicContact CD2-CD2 3.91Å; L369-L389 HydrophobicContact CD2-CG 4.27Å; P380-L389 HydrophobicContact CG-CD2 3.4Å; V384-L389 HydrophobicContact CG2-CB 3.97Å; S385-L389 PolarHBondContact O-N 3.3Å; L389-S391 VanDerWaalsContact C-N 3.27Å; L389-S391 PolarHBondContact O-N 3.24Å; L389-I392 PolarHBondContact O-N 3.09Å; L389-I393 HydrophobicContact CD1-CD1 4.08Å; L389-I393 HydrophobicContact CD1-CG1 4.33Å; L389-I393 HydrophobicContact CG-CD1 3.89Å; L389-I393 WeakPolarHBondContact O-CG1 3.47Å; L389-I393 PolarHBondContact O-N 2.91Å; L389-P407 HydrophobicContact CD2-CB 4.44Å; L389-P407 HydrophobicContact CD2-CG 4.17Å; L389-I436 HydrophobicContact CD1-CD1 4.09Å |
| 390 | A | 82.5 | Confident | 85.1 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L369 S386 E388 I392 I393 T394 | L369-A390 VanDerWaalsContact CD1-CA 3.42Å; L369-A390 HydrophobicContact CD1-CB 3.42Å; L369-A390 VanDerWaalsContact CD1-CB 3.42Å; S386-A390 WeakPolarHBondContact O-CB 3.48Å; S386-A390 PolarHBondContact O-N 3.15Å; E388-A390 PolarHBondContact O-N 3.27Å; A390-I392 VanDerWaalsContact C-N 3.31Å; A390-I392 PolarHBondContact O-N 3.39Å; A390-I393 PolarHBondContact O-N 3.43Å; A390-T394 VanDerWaalsContact O-CB 3.26Å; A390-T394 WeakPolarHBondContact O-CB 3.12Å; A390-T394 WeakPolarHBondContact O-CG2 3.45Å; A390-T394 PolarHBondContact O-N 3.17Å; A390-T394 PolarHBondContact O-OG1 3.26Å |
| 391 | S | 86.8 | Confident | 84.5 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 33% | 0.329 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 179.2 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | N387 E388 L389 T394 S395 | N387-S391 WeakPolarHBondContact O-CB 3.36Å; N387-S391 PolarHBondContact O-N 3.12Å; N387-S391 PolarHBondContact O-OG 2.83Å; E388-S391 WeakPolarHBondContact O-CB 3.3Å; E388-S391 PolarHBondContact O-N 3.46Å; E388-S391 VanDerWaalsContact O-N 3.13Å; L389-S391 VanDerWaalsContact C-N 3.27Å; L389-S391 PolarHBondContact O-N 3.24Å; S391-T394 WeakPolarHBondContact CA-OG1 3.48Å; S391-T394 PolarHBondContact O-OG1 3.14Å; S391-S395 WeakPolarHBondContact O-CB 3.44Å; S391-S395 PolarHBondContact O-N 2.82Å; S391-S395 PolarHBondContact O-OG 2.89Å |
| 392 | I | 91.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.5 | -55.3 | 173.7 | -61.3 | 159.6 | 0 | 0 | 0 | 110.7 | E388 L389 A390 T394 S395 I436 L438 F471 F473 I475 F480 | E388-I392 WeakPolarHBondContact O-CG1 3.4Å; E388-I392 PolarHBondContact O-N 2.74Å; L389-I392 PolarHBondContact O-N 3.09Å; A390-I392 VanDerWaalsContact C-N 3.31Å; A390-I392 PolarHBondContact O-N 3.39Å; I392-T394 VanDerWaalsContact C-N 3.3Å; I392-T394 PolarHBondContact O-N 2.85Å; I392-S395 WeakPolarHBondContact O-CB 3.28Å; I392-S395 PolarHBondContact O-N 3.02Å; I392-I436 HydrophobicContact CB-CD1 4.44Å; I392-I436 HydrophobicContact CG2-CD1 3.69Å; I392-I436 HydrophobicContact CG2-CG1 4.1Å; I392-I436 HydrophobicContact CG2-CG2 4.12Å; I392-L438 HydrophobicContact CD1-CD2 4.03Å; I392-F471 HydrophobicContact CG2-CE2 4.38Å; I392-F471 HydrophobicContact CG2-CZ 4.37Å; I392-F473 HydrophobicContact CD1-CD2 4.45Å; I392-F473 HydrophobicContact CD1-CE1 4.35Å; I392-F473 HydrophobicContact CD1-CE2 3.79Å; I392-F473 HydrophobicContact CD1-CZ 3.72Å; I392-F473 HydrophobicContact CG1-CD2 4.41Å; I392-F473 HydrophobicContact CG1-CE1 4.34Å; I392-F473 HydrophobicContact CG1-CE2 4.2Å; I392-F473 HydrophobicContact CG1-CZ 4.15Å; I392-F473 HydrophobicContact CG2-CD1 4.26Å; I392-F473 HydrophobicContact CG2-CE1 3.81Å; I392-F473 HydrophobicContact CG2-CZ 4.24Å; I392-I475 HydrophobicContact CD1-CD1 3.81Å; I392-I475 HydrophobicContact CG1-CD1 4.45Å; I392-F480 HydrophobicContact CG1-CE2 4.08Å; I392-F480 HydrophobicContact CG1-CZ 4.04Å |
| 393 | I | 89.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | -174.7 | -65.9 | 170.5 | 0 | 0 | 0 | 110.9 | L369 L389 A390 S395 V396 Y401 P407 I436 F579 | L369-I393 HydrophobicContact CD1-CD1 4.32Å; L369-I393 HydrophobicContact CD2-CD1 4.37Å; L389-I393 HydrophobicContact CD1-CD1 4.08Å; L389-I393 HydrophobicContact CD1-CG1 4.33Å; L389-I393 HydrophobicContact CG-CD1 3.89Å; L389-I393 WeakPolarHBondContact O-CG1 3.47Å; L389-I393 PolarHBondContact O-N 2.91Å; A390-I393 PolarHBondContact O-N 3.43Å; I393-S395 PolarHBondContact O-N 3.42Å; I393-V396 WeakPolarHBondContact O-CB 3.41Å; I393-V396 WeakPolarHBondContact O-CG2 3.48Å; I393-V396 PolarHBondContact O-N 2.9Å; I393-Y401 WeakPolarHBondContact CG2-O 3.37Å; I393-P407 HydrophobicContact CD1-CB 4.04Å; I393-P407 HydrophobicContact CD1-CG 3.82Å; I393-I436 HydrophobicContact CG1-CD1 3.75Å; I393-F579 HydrophobicContact CD1-CE1 4.19Å; I393-F579 HydrophobicContact CG1-CE1 4.06Å; I393-F579 HydrophobicContact CG1-CZ 4.35Å; I393-F579 HydrophobicContact CG2-CE1 4.42Å |
| 394 | T | 82.3 | Confident | 80.6 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.1 | -13.6 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | N363 A390 S391 I392 | N363-T394 HydrophobicContact CB-CG2 3.65Å; N363-T394 WeakPolarHBondContact ND2-CA 3.08Å; N363-T394 WeakPolarHBondContact ND2-CB 3.39Å; N363-T394 PolarHBondContact ND2-O 2.77Å; N363-T394 VanDerWaalsContact ND2-O 3.08Å; A390-T394 VanDerWaalsContact O-CB 3.26Å; A390-T394 WeakPolarHBondContact O-CB 3.12Å; A390-T394 WeakPolarHBondContact O-CG2 3.45Å; A390-T394 PolarHBondContact O-N 3.17Å; A390-T394 PolarHBondContact O-OG1 3.26Å; S391-T394 WeakPolarHBondContact CA-OG1 3.48Å; S391-T394 PolarHBondContact O-OG1 3.14Å; I392-T394 VanDerWaalsContact C-N 3.3Å; I392-T394 PolarHBondContact O-N 2.85Å |
| 395 | S | 88.3 | Confident | 79.5 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -4.1 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 113.8 | S391 I392 I393 I482 R484 | S391-S395 WeakPolarHBondContact O-CB 3.44Å; S391-S395 PolarHBondContact O-N 2.82Å; S391-S395 PolarHBondContact O-OG 2.89Å; I392-S395 WeakPolarHBondContact O-CB 3.28Å; I392-S395 PolarHBondContact O-N 3.02Å; I393-S395 PolarHBondContact O-N 3.42Å; S395-I482 WeakPolarHBondContact OG-CD1 3.24Å; S395-R484 PolarHBondContact O-NH2 3.45Å |
| 396 | V | 87.3 | Confident | 79.1 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -73.7 | 128.2 | 169.5 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | I393 D398 Y401 F451 F471 | I393-V396 WeakPolarHBondContact O-CB 3.41Å; I393-V396 WeakPolarHBondContact O-CG2 3.48Å; I393-V396 PolarHBondContact O-N 2.9Å; V396-D398 VanDerWaalsContact C-N 3.32Å; V396-D398 PolarHBondContact O-N 3.16Å; V396-Y401 HydrophobicContact CB-CD2 4.33Å; V396-Y401 HydrophobicContact CG1-CD2 3.48Å; V396-Y401 VanDerWaalsContact CG1-CD2 3.48Å; V396-Y401 HydrophobicContact CG1-CE2 4.04Å; V396-Y401 HydrophobicContact CG1-CG 4.17Å; V396-F451 HydrophobicContact CG1-CD1 4.4Å; V396-F451 HydrophobicContact CG1-CE1 3.83Å; V396-F451 HydrophobicContact CG1-CE2 4.03Å; V396-F451 HydrophobicContact CG1-CZ 3.61Å; V396-F451 HydrophobicContact CG2-CD1 4.38Å; V396-F451 HydrophobicContact CG2-CD2 3.59Å; V396-F451 HydrophobicContact CG2-CE1 4.44Å; V396-F451 HydrophobicContact CG2-CE2 3.65Å; V396-F451 HydrophobicContact CG2-CG 3.97Å; V396-F451 HydrophobicContact CG2-CZ 4.09Å; V396-F471 HydrophobicContact CB-CE1 4.47Å; V396-F471 HydrophobicContact CG2-CE1 3.9Å; V396-F471 HydrophobicContact CG2-CZ 4.04Å |
| 397 | D | 80.8 | Confident | 79.5 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -68.1 | -31 | -173.6 | -65.1 | -22.8 | 0 | 0 | 0 | 112.5 | R399 L469 R484 | D397-R399 PolarHBondContact O-N 2.8Å; D397-R399 VanDerWaalsContact O-N 3.15Å; D397-L469 HydrophobicContact CB-CD2 4.27Å; D397-R484 IonicContact OD1-CZ 2.7Å; D397-R484 IonicContact OD1-NE 3.49Å; D397-R484 PolarHBondContact OD1-NE 3.34Å; D397-R484 IonicContact OD1-NH2 3.71Å; D397-R484 PolarHBondContact OD1-NH2 2.87Å; D397-R484 IonicContact OD2-NE 2.75Å |
| 398 | D | 78.5 | Confident | 80 | Confident | 49 Ų | 49 | 42.5 Ų | 42.5 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -73.8 | 104 | 170 | -171.6 | -14.3 | 0 | 0 | 0 | 110.4 | V396 K400 Y401 | V396-D398 VanDerWaalsContact C-N 3.32Å; V396-D398 PolarHBondContact O-N 3.16Å; D398-K400 PolarHBondContact O-N 3.05Å; D398-K400 WeakPolarHBondContact OD1-CB 3.27Å; D398-K400 WeakPolarHBondContact OD1-CG 3.48Å; D398-K400 PolarHBondContact OD1-N 2.68Å; D398-K400 IonicContact OD2-NZ 3.61Å; D398-Y401 HydrophobicContact CB-CD2 3.91Å; D398-Y401 HydrophobicContact CB-CE2 3.91Å; D398-Y401 VanDerWaalsContact O-CD2 3.32Å; D398-Y401 WeakPolarHBondContact O-CD2 3.35Å; D398-Y401 PolarHBondContact O-N 3.04Å |
| 399 | R | 71 | Confident | 80.2 | Confident | 172 Ų | 172 | 44.6 Ų | 44.6 | 65% | 0.649 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.1 | -176.5 | -59.5 | -167.2 | -166.6 | -178.1 | 6.3 | 114.3 | D397 Y401 S402 C403 | D397-R399 PolarHBondContact O-N 2.8Å; D397-R399 VanDerWaalsContact O-N 3.15Å; R399-Y401 PolarHBondContact O-N 3.08Å; R399-S402 PolarHBondContact O-N 3.1Å; R399-S402 PolarHBondContact O-OG 3.44Å; R399-C403 WeakPolarHBondContact O-CB 3.27Å; R399-C403 PolarHBondContact O-N 3.41Å; R399-C403 VanDerWaalsContact O-N 3.09Å; R399-C403 PolarHBondContact O-SG 3.41Å |
| 400 | K | 71.3 | Confident | 80.4 | Confident | 112 Ų | 112 | 45.2 Ų | 45.2 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.2 | -35.7 | 174.7 | -63.8 | 172.5 | -161 | 163.3 | 0 | 111.4 | D398 S402 C403 L404 F405 | D398-K400 PolarHBondContact O-N 3.05Å; D398-K400 WeakPolarHBondContact OD1-CB 3.27Å; D398-K400 WeakPolarHBondContact OD1-CG 3.48Å; D398-K400 PolarHBondContact OD1-N 2.68Å; D398-K400 IonicContact OD2-NZ 3.61Å; K400-S402 PolarHBondContact O-N 3.36Å; K400-C403 PolarHBondContact O-N 3.13Å; K400-L404 HydrophobicContact CB-CD1 4.33Å; K400-L404 HydrophobicContact CG-CD1 4.13Å; K400-L404 WeakPolarHBondContact O-CA 3.19Å; K400-L404 WeakPolarHBondContact O-CB 3.39Å; K400-L404 PolarHBondContact O-N 3.12Å; K400-F405 HydrophobicContact CB-CD2 4.3Å; K400-F405 HydrophobicContact CB-CE2 3.81Å; K400-F405 PolarHBondContact O-N 2.76Å |
| 401 | Y | 75.4 | Confident | 81 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 8% | 0.078 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 176.7 | -63.9 | -77.9 | 0 | 0 | 0 | 113.8 | Y368 I393 V396 D398 R399 F405 N432 A434 F451 F579 | Y368-Y401 PolarHBondContact OH-O 3.38Å; I393-Y401 WeakPolarHBondContact CG2-O 3.37Å; V396-Y401 HydrophobicContact CB-CD2 4.33Å; V396-Y401 HydrophobicContact CG1-CD2 3.48Å; V396-Y401 VanDerWaalsContact CG1-CD2 3.48Å; V396-Y401 HydrophobicContact CG1-CE2 4.04Å; V396-Y401 HydrophobicContact CG1-CG 4.17Å; D398-Y401 HydrophobicContact CB-CD2 3.91Å; D398-Y401 HydrophobicContact CB-CE2 3.91Å; D398-Y401 VanDerWaalsContact O-CD2 3.32Å; D398-Y401 WeakPolarHBondContact O-CD2 3.35Å; D398-Y401 PolarHBondContact O-N 3.04Å; R399-Y401 PolarHBondContact O-N 3.08Å; Y401-F405 AromaticContact CD1-CD2 3.54Å; Y401-F405 HydrophobicContact CD1-CD2 3.54Å; Y401-F405 HydrophobicContact CD1-CE2 4.07Å; Y401-F405 HydrophobicContact CD1-CG 4.47Å; Y401-F405 AromaticContact CE1-CD2 3.91Å; Y401-F405 HydrophobicContact CE1-CD2 3.91Å; Y401-F405 HydrophobicContact CE1-CE2 4.03Å; Y401-F405 HydrophobicContact CG-CD2 4.03Å; Y401-N432 PolarHBondContact OH-OD1 2.5Å; Y401-A434 HydrophobicContact CE1-CB 3.82Å; Y401-A434 WeakPolarHBondContact OH-CB 3.42Å; Y401-F451 HydrophobicContact CD2-CZ 4.33Å; Y401-F451 HydrophobicContact CE1-CE2 4.49Å; Y401-F451 HydrophobicContact CE1-CZ 4.37Å; Y401-F451 AromaticContact CE2-CZ 3.99Å; Y401-F451 HydrophobicContact CE2-CZ 3.99Å; Y401-F579 HydrophobicContact CD1-CB 4.39Å; Y401-F579 AromaticContact CD1-CD1 3.88Å; Y401-F579 HydrophobicContact CD1-CD1 3.88Å; Y401-F579 AromaticContact CD1-CD2 3.75Å; Y401-F579 HydrophobicContact CD1-CD2 3.75Å; Y401-F579 AromaticContact CD1-CE1 4Å; Y401-F579 HydrophobicContact CD1-CE1 4Å; Y401-F579 AromaticContact CD1-CE2 3.89Å; Y401-F579 HydrophobicContact CD1-CE2 3.89Å; Y401-F579 AromaticContact CD1-CG 3.74Å; Y401-F579 HydrophobicContact CD1-CG 3.74Å; Y401-F579 AromaticContact CD1-CZ 4Å; Y401-F579 HydrophobicContact CD1-CZ 4Å; Y401-F579 HydrophobicContact CE1-CB 4.48Å; Y401-F579 AromaticContact CE1-CD2 3.81Å; Y401-F579 HydrophobicContact CE1-CD2 3.81Å; Y401-F579 HydrophobicContact CE1-CE2 4.16Å; Y401-F579 HydrophobicContact CE1-CG 4.08Å |
| 402 | S | 69 | Low | 81.3 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -78.6 | -22.3 | 176.7 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | R399 K400 | R399-S402 PolarHBondContact O-N 3.1Å; R399-S402 PolarHBondContact O-OG 3.44Å; K400-S402 PolarHBondContact O-N 3.36Å |
| 403 | C | 56.5 | Low | 81 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 46% | 0.459 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -109.2 | -33 | -168.3 | -64.5 | 0 | 0 | 0 | 0 | 114.8 | R399 K400 | R399-C403 WeakPolarHBondContact O-CB 3.27Å; R399-C403 PolarHBondContact O-N 3.41Å; R399-C403 VanDerWaalsContact O-N 3.09Å; R399-C403 PolarHBondContact O-SG 3.41Å; K400-C403 PolarHBondContact O-N 3.13Å |
| 404 | L | 62.3 | Low | 80.8 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -13.5 | -165.9 | -59.7 | -178.9 | 0 | 0 | 0 | 113.5 | K400 L582 | K400-L404 HydrophobicContact CB-CD1 4.33Å; K400-L404 HydrophobicContact CG-CD1 4.13Å; K400-L404 WeakPolarHBondContact O-CA 3.19Å; K400-L404 WeakPolarHBondContact O-CB 3.39Å; K400-L404 PolarHBondContact O-N 3.12Å; L404-L582 WeakPolarHBondContact O-CB 3.36Å; L404-L582 WeakPolarHBondContact O-CG 2.98Å; L404-L582 PolarHBondContact O-N 3.34Å |
| 405 | F | 69.5 | Low | 80.9 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141 | -176.7 | -64.7 | -54 | 0 | 0 | 0 | 111.6 | Y368 K400 Y401 N432 F579 R580 D581 | Y368-F405 WeakPolarHBondContact CE1-O 3.37Å; Y368-F405 PolarHBondContact OH-O 3.25Å; K400-F405 HydrophobicContact CB-CD2 4.3Å; K400-F405 HydrophobicContact CB-CE2 3.81Å; K400-F405 PolarHBondContact O-N 2.76Å; Y401-F405 AromaticContact CD1-CD2 3.54Å; Y401-F405 HydrophobicContact CD1-CD2 3.54Å; Y401-F405 HydrophobicContact CD1-CE2 4.07Å; Y401-F405 HydrophobicContact CD1-CG 4.47Å; Y401-F405 AromaticContact CE1-CD2 3.91Å; Y401-F405 HydrophobicContact CE1-CD2 3.91Å; Y401-F405 HydrophobicContact CE1-CE2 4.03Å; Y401-F405 HydrophobicContact CG-CD2 4.03Å; F405-N432 WeakPolarHBondContact CZ-ND2 3.12Å; F405-F579 HydrophobicContact CB-CB 3.91Å; F405-F579 HydrophobicContact CB-CD1 3.96Å; F405-F579 HydrophobicContact CB-CG 4.33Å; F405-F579 HydrophobicContact CG-CB 4.14Å; F405-R580 CarbonylContact C-O 3.19Å; F405-R580 VanDerWaalsContact CA-O 3.26Å; F405-R580 WeakPolarHBondContact CA-O 3Å; F405-D581 WeakPolarHBondContact CD1-OD1 3.42Å; F405-D581 WeakPolarHBondContact CE1-OD1 3.25Å |
| 406 | K | 78.8 | Confident | 80.8 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.3 | 170.8 | -174.1 | 178.3 | -173.9 | 173.7 | 0 | 110.3 | Y368 Q377 R580 L582 | Y368-K406 HydrophobicContact CD2-CG 4.1Å; Y368-K406 HydrophobicContact CG-CG 4.25Å; Q377-K406 VanDerWaalsContact OE1-NZ 3.08Å; K406-R580 HydrophobicContact CB-CG 4.07Å; K406-R580 PolarHBondContact N-O 2.94Å; K406-R580 WeakPolarHBondContact O-CG 3.43Å; K406-R580 PolarHBondContact O-N 3.38Å; K406-L582 HydrophobicContact CB-CD2 3.91Å |
| 407 | P | 88.9 | Confident | 80.5 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 145.2 | 176 | 30.7 | -32.6 | 0 | 0 | 0 | 110.5 | Y368 L369 P380 L389 I393 I577 G578 | Y368-P407 HydrophobicContact CD2-CG 4.26Å; Y368-P407 HydrophobicContact CE2-CG 3.65Å; L369-P407 HydrophobicContact CD2-CG 3.71Å; P380-P407 HydrophobicContact CG-CB 4.3Å; P380-P407 HydrophobicContact CG-CG 4.3Å; L389-P407 HydrophobicContact CD2-CB 4.44Å; L389-P407 HydrophobicContact CD2-CG 4.17Å; I393-P407 HydrophobicContact CD1-CB 4.04Å; I393-P407 HydrophobicContact CD1-CG 3.82Å; P407-I577 HydrophobicContact CB-CG2 3.59Å; P407-G578 CarbonylContact C-O 3.37Å; P407-G578 VanDerWaalsContact CA-O 3.22Å; P407-G578 WeakPolarHBondContact CA-O 3.24Å |
| 408 | Y | 89.9 | Confident | 80.9 | Confident | 39 Ų | 39 | 51 Ų | 51 | 15% | 0.153 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 154.3 | 174.1 | 70.2 | -83.2 | 0 | 0 | 0 | 110.7 | V410 T430 E431 I577 G578 R580 | Y408-V410 HydrophobicContact CD2-CG2 4.1Å; Y408-V410 HydrophobicContact CE2-CG2 3.56Å; Y408-V410 PolarHBondContact O-N 3.01Å; Y408-T430 WeakPolarHBondContact OH-CA 3.26Å; Y408-E431 PolarHBondContact OH-N 2.82Å; Y408-I577 CarbonylContact O-C 3.54Å; Y408-I577 WeakPolarHBondContact O-CA 3.37Å; Y408-G578 WeakPolarHBondContact CD1-O 3.46Å; Y408-G578 PolarHBondContact N-O 3.14Å; Y408-G578 PolarHBondContact O-N 3.27Å; Y408-R580 HydrophobicContact CD1-CB 4.09Å; Y408-R580 HydrophobicContact CD1-CG 3.92Å; Y408-R580 HydrophobicContact CE1-CB 3.95Å; Y408-R580 HydrophobicContact CE1-CG 4.31Å |
| 409 | R | 92.9 | Very high | 81.2 | Confident | 89 Ų | 89 | 51 Ų | 51 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 119.7 | 178.2 | -164 | 170.1 | 68.4 | 178.2 | -2.8 | 110.2 | P380 E382 | P380-R409 VanDerWaalsContact O-CB 3.29Å; P380-R409 WeakPolarHBondContact O-CB 3.35Å; P380-R409 WeakPolarHBondContact O-CD 3.43Å; P380-R409 WeakPolarHBondContact O-CG 3.4Å; E382-R409 IonicContact OE1-NH1 3.58Å; E382-R409 PolarHBondContact OE1-NH1 2.96Å |
| 410 | V | 95.4 | Very high | 82.2 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -42.9 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | Y408 K426 T430 L576 G578 | Y408-V410 HydrophobicContact CD2-CG2 4.1Å; Y408-V410 HydrophobicContact CE2-CG2 3.56Å; Y408-V410 PolarHBondContact O-N 3.01Å; V410-K426 HydrophobicContact CG1-CB 4.02Å; V410-K426 WeakPolarHBondContact CG1-O 3.45Å; V410-T430 HydrophobicContact CB-CG2 4.34Å; V410-T430 HydrophobicContact CG1-CG2 3.73Å; V410-T430 HydrophobicContact CG2-CG2 3.67Å; V410-L576 HydrophobicContact CB-CB 4.27Å; V410-L576 HydrophobicContact CB-CD2 4.29Å; V410-L576 HydrophobicContact CB-CG 4.32Å; V410-L576 WeakPolarHBondContact CB-O 3.16Å; V410-L576 HydrophobicContact CG1-CD2 3.95Å; V410-L576 PolarHBondContact N-O 3.31Å; V410-G578 VanDerWaalsContact CG2-N 3.32Å |
| 411 | F | 94.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.4 | -178.8 | 172.4 | -89 | 0 | 0 | 0 | 110.2 | D416 G417 T422 F423 K426 L531 V574 E575 L576 | F411-D416 WeakPolarHBondContact CA-OD2 3.44Å; F411-D416 HydrophobicContact CD2-CB 3.66Å; F411-D416 HydrophobicContact CE2-CB 3.69Å; F411-G417 WeakPolarHBondContact CZ-O 3.47Å; F411-T422 HydrophobicContact CE2-CG2 4.29Å; F411-F423 HydrophobicContact CB-CD2 4.47Å; F411-F423 AromaticContact CD1-CD2 3.66Å; F411-F423 HydrophobicContact CD1-CD2 3.66Å; F411-F423 HydrophobicContact CD1-CE2 4.36Å; F411-F423 HydrophobicContact CD2-CB 4.24Å; F411-F423 HydrophobicContact CD2-CD2 4.44Å; F411-F423 AromaticContact CE1-CD2 3.89Å; F411-F423 HydrophobicContact CE1-CD2 3.89Å; F411-F423 HydrophobicContact CE2-CB 4.02Å; F411-F423 AromaticContact CG-CD2 3.95Å; F411-F423 HydrophobicContact CG-CD2 3.95Å; F411-F423 HydrophobicContact CZ-CB 4.15Å; F411-F423 HydrophobicContact CZ-CD2 4.37Å; F411-K426 HydrophobicContact CB-CB 4.18Å; F411-K426 HydrophobicContact CD2-CB 4.48Å; F411-K426 HydrophobicContact CD2-CG 4.26Å; F411-L531 HydrophobicContact CE1-CD1 3.8Å; F411-L531 HydrophobicContact CZ-CD1 3.57Å; F411-V574 HydrophobicContact CE1-CB 4.34Å; F411-V574 HydrophobicContact CE1-CG1 4.35Å; F411-E575 VanDerWaalsContact O-CA 3.31Å; F411-E575 WeakPolarHBondContact O-CA 3.4Å; F411-L576 HydrophobicContact CB-CB 3.88Å; F411-L576 PolarHBondContact N-O 3.13Å; F411-L576 PolarHBondContact O-N 3.34Å |
| 412 | S | 92.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.4 | 164.3 | 167.5 | 0 | 0 | 0 | 0 | 110.1 | N414 V415 D416 V574 | S412-N414 PolarHBondContact O-N 3.18Å; S412-N414 VanDerWaalsContact O-N 3.15Å; S412-N414 PolarHBondContact OG-N 3.24Å; S412-V415 PolarHBondContact O-N 3.15Å; S412-D416 PolarHBondContact N-OD2 3Å; S412-D416 WeakPolarHBondContact O-CB 3.47Å; S412-D416 PolarHBondContact O-N 3.37Å; S412-V574 WeakPolarHBondContact CA-O 3.43Å |
| 413 | S | 86.9 | Confident | 85.1 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.5 | 176.7 | 71 | 0 | 0 | 0 | 0 | 112.9 | V415 G417 N418 L573 V574 | S413-V415 VanDerWaalsContact C-N 3.35Å; S413-G417 WeakPolarHBondContact CA-O 3.32Å; S413-G417 WeakPolarHBondContact O-CA 3.19Å; S413-G417 PolarHBondContact O-N 3.39Å; S413-N418 WeakPolarHBondContact CB-OD1 3.47Å; S413-N418 PolarHBondContact O-OD1 3.19Å; S413-L573 WeakPolarHBondContact OG-CA 3.43Å; S413-L573 VanDerWaalsContact OG-CD1 3.29Å; S413-L573 WeakPolarHBondContact OG-CD1 3.26Å; S413-V574 PolarHBondContact N-O 3.1Å; S413-V574 PolarHBondContact OG-N 2.78Å |
| 414 | N | 84.8 | Confident | 87 | Confident | 90 Ų | 90 | 46.6 Ų | 46.6 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -23.5 | 173.5 | -77.9 | -10.6 | 0 | 0 | 0 | 113.6 | E382 S412 L573 | E382-N414 PolarHBondContact OE2-ND2 3.13Å; S412-N414 PolarHBondContact O-N 3.18Å; S412-N414 VanDerWaalsContact O-N 3.15Å; S412-N414 PolarHBondContact OG-N 3.24Å; N414-L573 HydrophobicContact CB-CD1 4.07Å |
| 415 | V | 85.4 | Confident | 88.4 | Confident | 87 Ų | 87 | 45 Ų | 45 | 53% | 0.527 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -45.2 | -172.2 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | S412 S413 | S412-V415 PolarHBondContact O-N 3.15Å; S413-V415 VanDerWaalsContact C-N 3.35Å |
| 416 | D | 84.3 | Confident | 89.5 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.9 | -175.9 | -55.2 | -70.8 | 0 | 0 | 0 | 112.6 | F411 S412 T422 K426 | F411-D416 WeakPolarHBondContact CA-OD2 3.44Å; F411-D416 HydrophobicContact CD2-CB 3.66Å; F411-D416 HydrophobicContact CE2-CB 3.69Å; S412-D416 PolarHBondContact N-OD2 3Å; S412-D416 WeakPolarHBondContact O-CB 3.47Å; S412-D416 PolarHBondContact O-N 3.37Å; D416-T422 HydrophobicContact CB-CG2 4.13Å; D416-K426 VanDerWaalsContact OD1-CE 3.24Å; D416-K426 WeakPolarHBondContact OD1-CE 3.44Å; D416-K426 IonicContact OD1-NZ 3.12Å |
| 417 | G | 81.8 | Confident | 90.3 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | trans | 82.4 | -174.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | F411 S413 S419 | F411-G417 WeakPolarHBondContact CZ-O 3.47Å; S413-G417 WeakPolarHBondContact CA-O 3.32Å; S413-G417 WeakPolarHBondContact O-CA 3.19Å; S413-G417 PolarHBondContact O-N 3.39Å; G417-S419 PolarHBondContact O-N 3.49Å | ||
| 418 | N | 88.5 | Confident | 90.6 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 41% | 0.406 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -101.4 | 27.2 | -166.1 | -75.6 | 8.1 | 0 | 0 | 0 | 113.5 | S413 C530 T532 | S413-N418 WeakPolarHBondContact CB-OD1 3.47Å; S413-N418 PolarHBondContact O-OD1 3.19Å; N418-C530 VanDerWaalsContact CB-O 3.3Å; N418-C530 WeakPolarHBondContact CB-O 3.47Å; N418-C530 CarbonylContact O-C 3.53Å; N418-C530 WeakPolarHBondContact O-CA 3.31Å; N418-T532 WeakPolarHBondContact ND2-CG2 3.25Å |
| 419 | S | 85.9 | Confident | 90.6 | Very high | 49 Ų | 49 | 52 Ų | 52 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | trans | -97.2 | 119.5 | -175.5 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | G417 R421 T422 F423 | G417-S419 PolarHBondContact O-N 3.49Å; S419-R421 PolarHBondContact O-N 3.22Å; S419-R421 PolarHBondContact OG-N 3.45Å; S419-T422 WeakPolarHBondContact CB-OG1 3.47Å; S419-T422 WeakPolarHBondContact O-CB 3.34Å; S419-T422 PolarHBondContact O-N 3.39Å; S419-T422 PolarHBondContact OG-N 3.22Å; S419-T422 PolarHBondContact OG-OG1 2.96Å; S419-F423 PolarHBondContact O-N 2.54Å | ||
| 420 | L | 91.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -30.2 | 174.2 | -172 | 67.3 | 0 | 0 | 0 | 112.4 | F423 Y424 S508 I512 S529 L531 | L420-F423 HydrophobicContact CD1-CB 4.48Å; L420-F423 HydrophobicContact CD1-CD1 4.11Å; L420-F423 HydrophobicContact CD1-CG 4.49Å; L420-F423 WeakPolarHBondContact O-CB 3.44Å; L420-F423 PolarHBondContact O-N 3.02Å; L420-Y424 HydrophobicContact CD1-CE1 4.28Å; L420-Y424 HydrophobicContact CD1-CE2 4.24Å; L420-Y424 HydrophobicContact CD2-CE2 3.8Å; L420-Y424 HydrophobicContact CG-CD2 4.19Å; L420-Y424 HydrophobicContact CG-CE1 4.48Å; L420-Y424 HydrophobicContact CG-CE2 3.57Å; L420-Y424 VanDerWaalsContact O-CD2 3.29Å; L420-Y424 WeakPolarHBondContact O-CD2 3.19Å; L420-Y424 PolarHBondContact O-N 3.38Å; L420-S508 WeakPolarHBondContact CD2-O 3.29Å; L420-I512 HydrophobicContact CD1-CG2 4.06Å; L420-S529 VanDerWaalsContact CB-O 3.25Å; L420-S529 WeakPolarHBondContact CB-O 3.29Å; L420-S529 PolarHBondContact N-O 3.1Å; L420-L531 HydrophobicContact CD1-CD2 3.89Å |
| 421 | R | 90.7 | Very high | 90.2 | Very high | 213 Ų | 213 | 53.5 Ų | 53.5 | 80% | 0.804 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -41.7 | 173.5 | -174 | -179.9 | -178.6 | -174.6 | 0.9 | 111.7 | S419 F423 Y424 A425 | S419-R421 PolarHBondContact O-N 3.22Å; S419-R421 PolarHBondContact OG-N 3.45Å; R421-F423 VanDerWaalsContact C-N 3.35Å; R421-Y424 PolarHBondContact O-N 3.3Å; R421-A425 PolarHBondContact O-N 3.08Å |
| 422 | T | 90.5 | Very high | 90 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | F411 D416 S419 Y424 A425 K426 | F411-T422 HydrophobicContact CE2-CG2 4.29Å; D416-T422 HydrophobicContact CB-CG2 4.13Å; S419-T422 WeakPolarHBondContact CB-OG1 3.47Å; S419-T422 WeakPolarHBondContact O-CB 3.34Å; S419-T422 PolarHBondContact O-N 3.39Å; S419-T422 PolarHBondContact OG-N 3.22Å; S419-T422 PolarHBondContact OG-OG1 2.96Å; T422-Y424 PolarHBondContact O-N 3.29Å; T422-A425 PolarHBondContact O-N 3.36Å; T422-K426 HydrophobicContact CG2-CG 4.45Å; T422-K426 WeakPolarHBondContact O-CG 3.48Å; T422-K426 PolarHBondContact O-N 3.01Å |
| 423 | F | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.3 | -49.5 | 173.8 | 175 | -88.8 | 0 | 0 | 0 | 111.9 | F411 S419 L420 R421 A425 K426 A427 L437 W456 I512 L531 L576 | F411-F423 HydrophobicContact CB-CD2 4.47Å; F411-F423 AromaticContact CD1-CD2 3.66Å; F411-F423 HydrophobicContact CD1-CD2 3.66Å; F411-F423 HydrophobicContact CD1-CE2 4.36Å; F411-F423 HydrophobicContact CD2-CB 4.24Å; F411-F423 HydrophobicContact CD2-CD2 4.44Å; F411-F423 AromaticContact CE1-CD2 3.89Å; F411-F423 HydrophobicContact CE1-CD2 3.89Å; F411-F423 HydrophobicContact CE2-CB 4.02Å; F411-F423 AromaticContact CG-CD2 3.95Å; F411-F423 HydrophobicContact CG-CD2 3.95Å; F411-F423 HydrophobicContact CZ-CB 4.15Å; F411-F423 HydrophobicContact CZ-CD2 4.37Å; S419-F423 PolarHBondContact O-N 2.54Å; L420-F423 HydrophobicContact CD1-CB 4.48Å; L420-F423 HydrophobicContact CD1-CD1 4.11Å; L420-F423 HydrophobicContact CD1-CG 4.49Å; L420-F423 WeakPolarHBondContact O-CB 3.44Å; L420-F423 PolarHBondContact O-N 3.02Å; R421-F423 VanDerWaalsContact C-N 3.35Å; F423-A425 PolarHBondContact O-N 2.94Å; F423-K426 PolarHBondContact O-N 3.23Å; F423-A427 WeakPolarHBondContact O-CB 3.29Å; F423-A427 PolarHBondContact O-N 2.82Å; F423-L437 HydrophobicContact CE2-CD1 4.07Å; F423-L437 HydrophobicContact CZ-CD1 4.23Å; F423-W456 HydrophobicContact CE1-CB 3.69Å; F423-W456 AromaticContact CE1-CD1 3.96Å; F423-W456 AromaticContact CE1-CD2 4Å; F423-W456 HydrophobicContact CE1-CD2 4Å; F423-W456 AromaticContact CE1-CG 3.59Å; F423-W456 HydrophobicContact CE1-CG 3.59Å; F423-W456 HydrophobicContact CZ-CB 4.36Å; F423-W456 AromaticContact CZ-CD1 3.75Å; F423-W456 HydrophobicContact CZ-CD2 4.23Å; F423-W456 AromaticContact CZ-CG 3.85Å; F423-W456 HydrophobicContact CZ-CG 3.85Å; F423-I512 HydrophobicContact CE1-CD1 4.02Å; F423-I512 HydrophobicContact CZ-CD1 3.93Å; F423-L531 HydrophobicContact CB-CD1 4.22Å; F423-L576 HydrophobicContact CE2-CB 4.02Å; F423-L576 HydrophobicContact CE2-CD1 4.11Å; F423-L576 HydrophobicContact CE2-CD2 4.02Å; F423-L576 HydrophobicContact CE2-CG 4.29Å; F423-L576 HydrophobicContact CZ-CD1 4.02Å; F423-L576 HydrophobicContact CZ-CD2 4.06Å; F423-L576 HydrophobicContact CZ-CG 4.5Å |
| 424 | Y | 95.4 | Very high | 90.4 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.2 | -65.1 | -40.4 | 0 | 0 | 0 | 113.3 | L420 R421 T422 K426 A427 A428 W456 P458 A507 S508 G511 I512 | L420-Y424 HydrophobicContact CD1-CE1 4.28Å; L420-Y424 HydrophobicContact CD1-CE2 4.24Å; L420-Y424 HydrophobicContact CD2-CE2 3.8Å; L420-Y424 HydrophobicContact CG-CD2 4.19Å; L420-Y424 HydrophobicContact CG-CE1 4.48Å; L420-Y424 HydrophobicContact CG-CE2 3.57Å; L420-Y424 VanDerWaalsContact O-CD2 3.29Å; L420-Y424 WeakPolarHBondContact O-CD2 3.19Å; L420-Y424 PolarHBondContact O-N 3.38Å; R421-Y424 PolarHBondContact O-N 3.3Å; T422-Y424 PolarHBondContact O-N 3.29Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 3.34Å; Y424-A427 PolarHBondContact O-N 2.63Å; Y424-A428 PolarHBondContact O-N 2.69Å; Y424-W456 HydrophobicContact CD1-CB 4.18Å; Y424-W456 HydrophobicContact CE1-CB 4.39Å; Y424-P458 HydrophobicContact CD2-CB 4.3Å; Y424-P458 HydrophobicContact CD2-CG 3.76Å; Y424-P458 HydrophobicContact CE2-CB 3.9Å; Y424-P458 HydrophobicContact CE2-CG 3.89Å; Y424-P458 HydrophobicContact CG-CG 4.26Å; Y424-A507 HydrophobicContact CE1-CB 3.84Å; Y424-S508 WeakPolarHBondContact CE2-O 3.16Å; Y424-S508 PolarHBondContact OH-N 2.94Å; Y424-S508 VanDerWaalsContact OH-N 3.12Å; Y424-S508 PolarHBondContact OH-O 3.09Å; Y424-G511 PolarHBondContact OH-O 3.37Å; Y424-I512 HydrophobicContact CE1-CG2 3.71Å; Y424-I512 WeakPolarHBondContact OH-CG2 3.44Å |
| 425 | A | 92.5 | Very high | 91 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R421 T422 F423 A428 | R421-A425 PolarHBondContact O-N 3.08Å; T422-A425 PolarHBondContact O-N 3.36Å; F423-A425 PolarHBondContact O-N 2.94Å; A425-A428 WeakPolarHBondContact O-CB 3.37Å; A425-A428 PolarHBondContact O-N 3.3Å |
| 426 | K | 93.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 176 | -70.8 | -69.4 | -169.6 | 170.2 | 0 | 112.3 | V410 F411 D416 T422 F423 Y424 A428 E429 | V410-K426 HydrophobicContact CG1-CB 4.02Å; V410-K426 WeakPolarHBondContact CG1-O 3.45Å; F411-K426 HydrophobicContact CB-CB 4.18Å; F411-K426 HydrophobicContact CD2-CB 4.48Å; F411-K426 HydrophobicContact CD2-CG 4.26Å; D416-K426 VanDerWaalsContact OD1-CE 3.24Å; D416-K426 WeakPolarHBondContact OD1-CE 3.44Å; D416-K426 IonicContact OD1-NZ 3.12Å; T422-K426 HydrophobicContact CG2-CG 4.45Å; T422-K426 WeakPolarHBondContact O-CG 3.48Å; T422-K426 PolarHBondContact O-N 3.01Å; F423-K426 PolarHBondContact O-N 3.23Å; Y424-K426 VanDerWaalsContact C-N 3.34Å; Y424-K426 PolarHBondContact O-N 3.34Å; K426-A428 PolarHBondContact O-N 2.93Å; K426-E429 WeakPolarHBondContact O-CB 3.22Å; K426-E429 PolarHBondContact O-N 3.15Å; K426-E429 VanDerWaalsContact O-N 3.11Å |
| 427 | A | 96 | Very high | 92.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -30.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F423 Y424 E429 T430 R455 W456 L576 | F423-A427 WeakPolarHBondContact O-CB 3.29Å; F423-A427 PolarHBondContact O-N 2.82Å; Y424-A427 PolarHBondContact O-N 2.63Å; A427-E429 PolarHBondContact O-N 3.1Å; A427-T430 WeakPolarHBondContact O-CG2 3.4Å; A427-T430 PolarHBondContact O-N 3Å; A427-T430 PolarHBondContact O-OG1 2.91Å; A427-R455 WeakPolarHBondContact O-CD 3.49Å; A427-R455 WeakPolarHBondContact O-CG 3.4Å; A427-R455 PolarHBondContact O-NE 2.85Å; A427-W456 HydrophobicContact CB-CB 3.76Å; A427-L576 HydrophobicContact CB-CD2 3.75Å |
| 428 | A | 93.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -26.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y424 A425 K426 T430 | Y424-A428 PolarHBondContact O-N 2.69Å; A425-A428 WeakPolarHBondContact O-CB 3.37Å; A425-A428 PolarHBondContact O-N 3.3Å; K426-A428 PolarHBondContact O-N 2.93Å; A428-T430 VanDerWaalsContact C-N 3.34Å |
| 429 | E | 91 | Very high | 93.6 | Very high | 138 Ų | 138 | 41 Ų | 41 | 65% | 0.645 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1 | -177.5 | -62.9 | 172.7 | 179 | 0 | 0 | 113.5 | K426 A427 | K426-E429 WeakPolarHBondContact O-CB 3.22Å; K426-E429 PolarHBondContact O-N 3.15Å; K426-E429 VanDerWaalsContact O-N 3.11Å; A427-E429 PolarHBondContact O-N 3.1Å |
| 430 | T | 92.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -67.6 | 140.9 | -179.2 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | Y408 V410 A427 A428 N432 T435 R455 | Y408-T430 WeakPolarHBondContact OH-CA 3.26Å; V410-T430 HydrophobicContact CB-CG2 4.34Å; V410-T430 HydrophobicContact CG1-CG2 3.73Å; V410-T430 HydrophobicContact CG2-CG2 3.67Å; A427-T430 WeakPolarHBondContact O-CG2 3.4Å; A427-T430 PolarHBondContact O-N 3Å; A427-T430 PolarHBondContact O-OG1 2.91Å; A428-T430 VanDerWaalsContact C-N 3.34Å; T430-N432 WeakPolarHBondContact CB-O 3.13Å; T430-N432 PolarHBondContact OG1-O 3.25Å; T430-T435 HydrophobicContact CG2-CG2 4.14Å; T430-R455 PolarHBondContact O-NH2 2.8Å; T430-R455 PolarHBondContact OG1-NE 3.34Å | ||
| 431 | E | 86.5 | Confident | 94.3 | Very high | 129 Ų | 129 | 39.5 Ų | 39.5 | 60% | 0.603 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -69 | -52.7 | 173.4 | -69.9 | 176.1 | -161.5 | 0 | 0 | 110.6 | Y408 R580 | Y408-E431 PolarHBondContact OH-N 2.82Å; E431-R580 WeakPolarHBondContact OE2-CA 3.34Å; E431-R580 WeakPolarHBondContact OE2-CB 3.37Å |
| 432 | N | 90 | Very high | 94.3 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -89.3 | 138.2 | 172.4 | -166.4 | -58.4 | 0 | 0 | 0 | 110.6 | Y401 F405 T430 A434 F579 | Y401-N432 PolarHBondContact OH-OD1 2.5Å; F405-N432 WeakPolarHBondContact CZ-ND2 3.12Å; T430-N432 WeakPolarHBondContact CB-O 3.13Å; T430-N432 PolarHBondContact OG1-O 3.25Å; N432-A434 VanDerWaalsContact C-N 3.3Å; N432-A434 PolarHBondContact O-N 3Å; N432-A434 WeakPolarHBondContact OD1-CB 3.46Å; N432-A434 PolarHBondContact OD1-N 2.93Å; N432-F579 HydrophobicContact CB-CB 3.96Å; N432-F579 VanDerWaalsContact CB-O 3.22Å; N432-F579 WeakPolarHBondContact CB-O 3.02Å; N432-F579 PolarHBondContact N-O 3.27Å |
| 433 | P | 93.7 | Very high | 94.3 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -66.3 | -30.4 | 176.5 | 26.5 | -35.5 | 0 | 0 | 0 | 113.3 | D454 R455 | P433-D454 CarbonylContact O-C 3.51Å; P433-R455 HydrophobicContact CB-CB 4.18Å; P433-R455 WeakPolarHBondContact O-CA 3.39Å; P433-R455 PolarHBondContact O-N 2.84Å |
| 434 | A | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -73.6 | 145.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y401 N432 F451 C452 F579 | Y401-A434 HydrophobicContact CE1-CB 3.82Å; Y401-A434 WeakPolarHBondContact OH-CB 3.42Å; N432-A434 VanDerWaalsContact C-N 3.3Å; N432-A434 PolarHBondContact O-N 3Å; N432-A434 WeakPolarHBondContact OD1-CB 3.46Å; N432-A434 PolarHBondContact OD1-N 2.93Å; A434-F451 HydrophobicContact CB-CE2 4.16Å; A434-F451 HydrophobicContact CB-CZ 3.79Å; A434-C452 CarbonylContact C-O 3.47Å; A434-C452 WeakPolarHBondContact CA-O 3.39Å; A434-C452 WeakPolarHBondContact CB-O 3.08Å; A434-F579 WeakPolarHBondContact O-CD2 3.25Å | ||
| 435 | T | 97.6 | Very high | 94 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.9 | -176.7 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | T430 C452 L576 I577 | T430-T435 HydrophobicContact CG2-CG2 4.14Å; T435-C452 PolarHBondContact N-O 3.15Å; T435-C452 PolarHBondContact O-N 2.93Å; T435-L576 HydrophobicContact CG2-CD1 4.15Å; T435-L576 HydrophobicContact CG2-CD2 4.29Å; T435-L576 HydrophobicContact CG2-CG 4.13Å; T435-I577 CarbonylContact C-O 3.55Å; T435-I577 VanDerWaalsContact CA-O 3.27Å; T435-I577 WeakPolarHBondContact CA-O 3.26Å; T435-I577 WeakPolarHBondContact CB-O 3.43Å |
| 436 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.3 | 165.6 | -59.5 | 165.2 | 0 | 0 | 0 | 107.9 | L389 I392 I393 L438 A450 F451 F473 I577 F579 | L389-I436 HydrophobicContact CD1-CD1 4.09Å; I392-I436 HydrophobicContact CB-CD1 4.44Å; I392-I436 HydrophobicContact CG2-CD1 3.69Å; I392-I436 HydrophobicContact CG2-CG1 4.1Å; I392-I436 HydrophobicContact CG2-CG2 4.12Å; I393-I436 HydrophobicContact CG1-CD1 3.75Å; I436-L438 HydrophobicContact CG2-CD2 4.22Å; I436-L438 HydrophobicContact CG2-CG 4.12Å; I436-A450 WeakPolarHBondContact CA-O 3.34Å; I436-F451 HydrophobicContact CG1-CD2 4.02Å; I436-F473 HydrophobicContact CG2-CE1 3.99Å; I436-F473 HydrophobicContact CG2-CZ 3.78Å; I436-I577 HydrophobicContact CB-CB 4.14Å; I436-I577 PolarHBondContact N-O 2.99Å; I436-I577 PolarHBondContact O-N 3.16Å; I436-F579 HydrophobicContact CD1-CE1 4.5Å; I436-F579 HydrophobicContact CD1-CE2 4.47Å; I436-F579 HydrophobicContact CD1-CZ 3.71Å; I436-F579 HydrophobicContact CG1-CE2 4.23Å; I436-F579 HydrophobicContact CG1-CZ 3.93Å |
| 437 | L | 98.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125.6 | 168.5 | -180 | 69 | 0 | 0 | 0 | 108.9 | F423 V439 G449 A450 W456 I512 L514 L525 L527 V574 L576 | F423-L437 HydrophobicContact CE2-CD1 4.07Å; F423-L437 HydrophobicContact CZ-CD1 4.23Å; L437-V439 HydrophobicContact CD2-CG2 4.35Å; L437-V439 HydrophobicContact CG-CG2 4.18Å; L437-G449 CarbonylContact O-C 3.55Å; L437-G449 WeakPolarHBondContact O-CA 3.2Å; L437-A450 PolarHBondContact N-O 3.4Å; L437-A450 PolarHBondContact O-N 2.87Å; L437-W456 HydrophobicContact CD2-CZ2 4.38Å; L437-I512 HydrophobicContact CD1-CD1 4.45Å; L437-I512 HydrophobicContact CD2-CD1 4.06Å; L437-L514 HydrophobicContact CD2-CD1 3.55Å; L437-L525 HydrophobicContact CD2-CD2 4.13Å; L437-L527 HydrophobicContact CD1-CD1 4.41Å; L437-L527 HydrophobicContact CD2-CD1 4.05Å; L437-V574 HydrophobicContact CD1-CG1 3.76Å; L437-L576 HydrophobicContact CD1-CD1 4.46Å |
| 438 | L | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.9 | 173.5 | -67.9 | 169.2 | 0 | 0 | 0 | 109.8 | S381 V384 I392 I436 F473 I475 V574 E575 I577 | S381-L438 WeakPolarHBondContact OG-CD1 3.07Å; V384-L438 HydrophobicContact CG1-CD1 4.27Å; V384-L438 HydrophobicContact CG1-CD2 3.94Å; V384-L438 HydrophobicContact CG2-CD1 3.91Å; I392-L438 HydrophobicContact CD1-CD2 4.03Å; I436-L438 HydrophobicContact CG2-CD2 4.22Å; I436-L438 HydrophobicContact CG2-CG 4.12Å; L438-F473 HydrophobicContact CD2-CE2 3.79Å; L438-F473 HydrophobicContact CD2-CZ 3.72Å; L438-I475 HydrophobicContact CD2-CD1 4.5Å; L438-V574 WeakPolarHBondContact O-CA 3.25Å; L438-E575 HydrophobicContact CB-CB 4.23Å; L438-E575 PolarHBondContact N-O 2.81Å; L438-E575 PolarHBondContact O-N 2.92Å; L438-I577 HydrophobicContact CD1-CD1 4.37Å; L438-I577 HydrophobicContact CD1-CG1 3.94Å |
| 439 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 120 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | L437 I448 L525 L527 F569 V571 | L437-V439 HydrophobicContact CD2-CG2 4.35Å; L437-V439 HydrophobicContact CG-CG2 4.18Å; V439-I448 HydrophobicContact CB-CG1 4.13Å; V439-I448 PolarHBondContact N-O 2.79Å; V439-I448 PolarHBondContact O-N 3.45Å; V439-I448 VanDerWaalsContact O-O 3.11Å; V439-L525 HydrophobicContact CG2-CD2 4.07Å; V439-L527 HydrophobicContact CG1-CD2 4.28Å; V439-L527 HydrophobicContact CG2-CD1 3.92Å; V439-L527 HydrophobicContact CG2-CD2 4.42Å; V439-F569 HydrophobicContact CG1-CE2 3.92Å; V439-F569 HydrophobicContact CG1-CZ 4.13Å; V439-V571 HydrophobicContact CG1-CG1 3.93Å; V439-V571 HydrophobicContact CG1-CG2 4.11Å |
| 440 | R | 96.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.7 | 174.7 | 178 | 173.4 | 54.8 | 60.4 | -3.7 | 109.5 | C383 S446 I447 G572 L573 | C383-R440 HydrophobicContact CB-CB 4.03Å; C383-R440 HydrophobicContact CB-CG 4.43Å; R440-S446 WeakPolarHBondContact CA-O 3.13Å; R440-I447 HydrophobicContact CB-CG1 4.29Å; R440-I447 HydrophobicContact CG-CG1 3.99Å; R440-G572 PolarHBondContact O-N 3.01Å; R440-L573 HydrophobicContact CB-CB 4.29Å; R440-L573 PolarHBondContact N-O 2.55Å; R440-L573 PolarHBondContact O-N 3.03Å; R440-L573 VanDerWaalsContact O-N 3.16Å |
| 441 | S | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 161.1 | 175 | 65 | 0 | 0 | 0 | 0 | 112.2 | S443 R444 S446 D553 | S441-S443 VanDerWaalsContact C-N 3.29Å; S441-S443 PolarHBondContact O-N 2.84Å; S441-S443 PolarHBondContact OG-OG 2.86Å; S441-R444 PolarHBondContact O-N 2.89Å; S441-R444 VanDerWaalsContact O-N 3.12Å; S441-R444 PolarHBondContact OG-N 3.01Å; S441-S446 PolarHBondContact N-O 3.31Å; S441-S446 PolarHBondContact OG-N 2.82Å; S441-S446 VanDerWaalsContact OG-N 3.13Å; S441-S446 PolarHBondContact OG-O 2.91Å; S441-D553 WeakPolarHBondContact CB-OD1 3.41Å; S441-D553 VanDerWaalsContact CB-OD2 3.25Å; S441-D553 WeakPolarHBondContact CB-OD2 3.12Å; S441-D553 PolarHBondContact OG-OD1 2.86Å; S441-D553 PolarHBondContact OG-OD2 3.47Å |
| 442 | L | 91.8 | Very high | 95.9 | Very high | 113 Ų | 113 | 23.4 Ų | 23.4 | 59% | 0.592 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -38.9 | 177.6 | -174.1 | 62.9 | 0 | 0 | 0 | 112.2 | R444 T570 | L442-R444 PolarHBondContact O-N 2.93Å; L442-T570 HydrophobicContact CB-CG2 4.14Å; L442-T570 HydrophobicContact CD2-CG2 3.91Å; L442-T570 PolarHBondContact N-O 3.42Å |
| 443 | S | 90 | Very high | 96.2 | Very high | 42 Ų | 42 | 23.1 Ų | 23.1 | 29% | 0.294 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.5 | 177.1 | 78 | 0 | 0 | 0 | 0 | 113.6 | S441 N445 D553 | S441-S443 VanDerWaalsContact C-N 3.29Å; S441-S443 PolarHBondContact O-N 2.84Å; S441-S443 PolarHBondContact OG-OG 2.86Å; S443-N445 PolarHBondContact O-N 2.84Å; S443-N445 WeakPolarHBondContact OG-CB 3.33Å; S443-N445 PolarHBondContact OG-N 2.84Å; S443-N445 VanDerWaalsContact OG-N 3.1Å; S443-D553 VanDerWaalsContact CB-OD1 3.25Å; S443-D553 WeakPolarHBondContact CB-OD1 3.4Å; S443-D553 VanDerWaalsContact OG-CG 3.23Å; S443-D553 PolarHBondContact OG-OD1 3.45Å; S443-D553 PolarHBondContact OG-OD2 2.56Å |
| 444 | R | 91.2 | Very high | 96.2 | Very high | 169 Ų | 169 | 23.4 Ų | 23.4 | 64% | 0.638 | 12% | 0.115 | S | C | * | . | S | Bend | trans | 70.8 | 5.7 | -171.6 | -48.4 | 178.9 | 170.5 | 173.5 | -3.7 | 115 | S441 L442 | S441-R444 PolarHBondContact O-N 2.89Å; S441-R444 VanDerWaalsContact O-N 3.12Å; S441-R444 PolarHBondContact OG-N 3.01Å; L442-R444 PolarHBondContact O-N 2.93Å |
| 445 | N | 93.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 26.9 Ų | 26.9 | 35% | 0.353 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -76.9 | -24.5 | 177.3 | -70.2 | -1.9 | 0 | 0 | 0 | 112.9 | S443 K476 D550 | S443-N445 PolarHBondContact O-N 2.84Å; S443-N445 WeakPolarHBondContact OG-CB 3.33Å; S443-N445 PolarHBondContact OG-N 2.84Å; S443-N445 VanDerWaalsContact OG-N 3.1Å; N445-K476 CarbonylContact O-C 3.6Å; N445-K476 WeakPolarHBondContact O-CB 3.16Å; N445-D550 HydrophobicContact CB-CB 4.15Å; N445-D550 WeakPolarHBondContact CB-OD2 3.24Å; N445-D550 PolarHBondContact ND2-OD2 2.88Å; N445-D550 VanDerWaalsContact ND2-OD2 3.16Å |
| 446 | S | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -115.6 | 132.9 | 178 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | R440 S441 K476 D553 | R440-S446 WeakPolarHBondContact CA-O 3.13Å; S441-S446 PolarHBondContact N-O 3.31Å; S441-S446 PolarHBondContact OG-N 2.82Å; S441-S446 VanDerWaalsContact OG-N 3.13Å; S441-S446 PolarHBondContact OG-O 2.91Å; S446-K476 VanDerWaalsContact CA-O 3.27Å; S446-K476 WeakPolarHBondContact CA-O 3.28Å; S446-D553 WeakPolarHBondContact CB-OD2 3.03Å; S446-D553 PolarHBondContact N-OD2 3.33Å; S446-D553 VanDerWaalsContact N-OD2 3.1Å; S446-D553 PolarHBondContact OG-OD2 3.49Å | ||
| 447 | I | 97.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 115.9 | 172.9 | -55.9 | -179.7 | 0 | 0 | 0 | 106.9 | C383 V384 R440 I475 K476 | C383-I447 HydrophobicContact CB-CD1 4.31Å; C383-I447 WeakPolarHBondContact O-CD1 3.07Å; V384-I447 HydrophobicContact CG1-CG2 3.98Å; R440-I447 HydrophobicContact CB-CG1 4.29Å; R440-I447 HydrophobicContact CG-CG1 3.99Å; I447-I475 HydrophobicContact CB-CB 4.21Å; I447-I475 HydrophobicContact CG2-CB 4.27Å; I447-I475 HydrophobicContact CG2-CD1 4.04Å; I447-I475 PolarHBondContact O-N 2.95Å; I447-K476 HydrophobicContact CB-CB 4.17Å; I447-K476 HydrophobicContact CB-CG 4.3Å; I447-K476 HydrophobicContact CD1-CD 3.71Å; I447-K476 HydrophobicContact CD1-CG 4.16Å; I447-K476 HydrophobicContact CG1-CB 4.18Å; I447-K476 HydrophobicContact CG1-CD 4.08Å; I447-K476 HydrophobicContact CG1-CG 4.2Å; I447-K476 PolarHBondContact N-O 3.23Å; I447-K476 PolarHBondContact O-N 2.87Å |
| 448 | I | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 171.5 | -175.4 | 63.9 | 169 | 0 | 0 | 0 | 109 | V439 F473 R474 L525 L547 I548 F569 | V439-I448 HydrophobicContact CB-CG1 4.13Å; V439-I448 PolarHBondContact N-O 2.79Å; V439-I448 PolarHBondContact O-N 3.45Å; V439-I448 VanDerWaalsContact O-O 3.11Å; I448-F473 WeakPolarHBondContact CA-O 3.18Å; I448-R474 HydrophobicContact CG2-CB 4.19Å; I448-R474 HydrophobicContact CG2-CG 3.99Å; I448-L525 HydrophobicContact CD1-CD1 3.75Å; I448-L547 HydrophobicContact CB-CB 4.11Å; I448-L547 HydrophobicContact CB-CD1 4.33Å; I448-L547 HydrophobicContact CD1-CB 3.79Å; I448-L547 HydrophobicContact CD1-CD1 4.09Å; I448-L547 HydrophobicContact CG2-CB 3.75Å; I448-I548 HydrophobicContact CD1-CD1 3.79Å; I448-I548 HydrophobicContact CD1-CG1 4.32Å; I448-I548 HydrophobicContact CG1-CD1 4.36Å; I448-I548 HydrophobicContact CG2-CD1 4.24Å; I448-F569 HydrophobicContact CD1-CE1 4.25Å; I448-F569 HydrophobicContact CD1-CZ 3.74Å |
| 449 | G | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | -166.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L437 F473 | L437-G449 CarbonylContact O-C 3.55Å; L437-G449 WeakPolarHBondContact O-CA 3.2Å; G449-F473 PolarHBondContact N-O 3.04Å; G449-F473 PolarHBondContact O-N 2.87Å |
| 450 | A | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 148.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I436 L437 F471 L472 F473 L514 | I436-A450 WeakPolarHBondContact CA-O 3.34Å; L437-A450 PolarHBondContact N-O 3.4Å; L437-A450 PolarHBondContact O-N 2.87Å; A450-F471 CarbonylContact C-O 3.53Å; A450-F471 WeakPolarHBondContact CA-O 3.42Å; A450-F471 WeakPolarHBondContact CB-O 3.4Å; A450-L472 HydrophobicContact CB-CD2 3.79Å; A450-F473 VanDerWaalsContact C-CE1 3.49Å; A450-F473 VanDerWaalsContact N-CE1 3.29Å; A450-L514 HydrophobicContact CB-CD1 3.47Å; A450-L514 VanDerWaalsContact CB-CD1 3.47Å; A450-L514 HydrophobicContact CB-CD2 3.82Å; A450-L514 HydrophobicContact CB-CG 4.12Å |
| 451 | F | 98.1 | Very high | 92 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.1 | 158.1 | 177.8 | -95 | 0 | 0 | 0 | 108.6 | V396 Y401 A434 I436 L469 C470 F471 F579 | V396-F451 HydrophobicContact CG1-CD1 4.4Å; V396-F451 HydrophobicContact CG1-CE1 3.83Å; V396-F451 HydrophobicContact CG1-CE2 4.03Å; V396-F451 HydrophobicContact CG1-CZ 3.61Å; V396-F451 HydrophobicContact CG2-CD1 4.38Å; V396-F451 HydrophobicContact CG2-CD2 3.59Å; V396-F451 HydrophobicContact CG2-CE1 4.44Å; V396-F451 HydrophobicContact CG2-CE2 3.65Å; V396-F451 HydrophobicContact CG2-CG 3.97Å; V396-F451 HydrophobicContact CG2-CZ 4.09Å; Y401-F451 HydrophobicContact CD2-CZ 4.33Å; Y401-F451 HydrophobicContact CE1-CE2 4.49Å; Y401-F451 HydrophobicContact CE1-CZ 4.37Å; Y401-F451 AromaticContact CE2-CZ 3.99Å; Y401-F451 HydrophobicContact CE2-CZ 3.99Å; A434-F451 HydrophobicContact CB-CE2 4.16Å; A434-F451 HydrophobicContact CB-CZ 3.79Å; I436-F451 HydrophobicContact CG1-CD2 4.02Å; F451-L469 WeakPolarHBondContact CD1-O 3.5Å; F451-L469 HydrophobicContact CE1-CB 4.21Å; F451-C470 VanDerWaalsContact O-CA 3.28Å; F451-C470 WeakPolarHBondContact O-CA 3.31Å; F451-F471 HydrophobicContact CB-CD1 3.78Å; F451-F471 HydrophobicContact CB-CD2 4.16Å; F451-F471 HydrophobicContact CB-CE1 3.39Å; F451-F471 HydrophobicContact CB-CE2 3.81Å; F451-F471 HydrophobicContact CB-CG 4.15Å; F451-F471 HydrophobicContact CB-CZ 3.41Å; F451-F471 VanDerWaalsContact CB-CZ 3.41Å; F451-F471 HydrophobicContact CD1-CD1 4.24Å; F451-F471 AromaticContact CD1-CE1 3.96Å; F451-F471 HydrophobicContact CD1-CE1 3.96Å; F451-F471 HydrophobicContact CG-CD1 4.33Å; F451-F471 AromaticContact CG-CE1 3.77Å; F451-F471 HydrophobicContact CG-CE1 3.77Å; F451-F471 HydrophobicContact CG-CZ 4.1Å; F451-F471 PolarHBondContact N-O 3.36Å; F451-F471 PolarHBondContact O-N 2.69Å; F451-F579 HydrophobicContact CD2-CE2 4.46Å; F451-F579 AromaticContact CE2-CE2 3.87Å; F451-F579 HydrophobicContact CE2-CE2 3.87Å; F451-F579 HydrophobicContact CE2-CZ 4.2Å |
| 452 | C | 97.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.6 | -175.7 | -53.8 | 0 | 0 | 0 | 0 | 107.8 | A434 T435 D454 W456 | A434-C452 CarbonylContact C-O 3.47Å; A434-C452 WeakPolarHBondContact CA-O 3.39Å; A434-C452 WeakPolarHBondContact CB-O 3.08Å; T435-C452 PolarHBondContact N-O 3.15Å; T435-C452 PolarHBondContact O-N 2.93Å; C452-D454 VanDerWaalsContact C-N 3.26Å; C452-D454 PolarHBondContact O-N 2.76Å; C452-W456 HydrophobicContact CB-CZ2 4.47Å; C452-W456 VanDerWaalsContact SG-CZ2 3.52Å |
| 453 | S | 95.1 | Very high | 91 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -78.5 | -12 | -175.4 | 67 | 0 | 0 | 0 | 0 | 113.5 | G466 N467 C470 | S453-G466 WeakPolarHBondContact OG-CA 3.39Å; S453-N467 VanDerWaalsContact CB-OD1 3.26Å; S453-N467 WeakPolarHBondContact CB-OD1 3.43Å; S453-N467 PolarHBondContact OG-N 2.63Å; S453-N467 PolarHBondContact OG-OD1 2.98Å; S453-C470 PolarHBondContact N-SG 3Å; S453-C470 PolarHBondContact OG-SG 2.97Å; S453-C470 VanDerWaalsContact OG-SG 3.38Å |
| 454 | D | 94.9 | Very high | 91.2 | Very high | 61 Ų | 61 | 52 Ų | 52 | 33% | 0.326 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -136.5 | 159.7 | -172.7 | -151.6 | -17.2 | 0 | 0 | 0 | 111.2 | P433 C452 Y465 Q505 | P433-D454 CarbonylContact O-C 3.51Å; C452-D454 VanDerWaalsContact C-N 3.26Å; C452-D454 PolarHBondContact O-N 2.76Å; D454-Y465 HydrophobicContact CB-CD2 3.9Å; D454-Y465 HydrophobicContact CB-CE2 4.08Å; D454-Q505 PolarHBondContact O-NE2 2.91Å |
| 455 | R | 94.6 | Very high | 91.4 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 28% | 0.275 | 24% | 0.235 | S | C | . | . | trans | -72.7 | 136.8 | -173.6 | -177.9 | 179.2 | -83.2 | 154.3 | 9.6 | 111 | A427 T430 P433 Q457 Y465 | A427-R455 WeakPolarHBondContact O-CD 3.49Å; A427-R455 WeakPolarHBondContact O-CG 3.4Å; A427-R455 PolarHBondContact O-NE 2.85Å; T430-R455 PolarHBondContact O-NH2 2.8Å; T430-R455 PolarHBondContact OG1-NE 3.34Å; P433-R455 HydrophobicContact CB-CB 4.18Å; P433-R455 WeakPolarHBondContact O-CA 3.39Å; P433-R455 PolarHBondContact O-N 2.84Å; R455-Q457 PolarHBondContact O-N 3.38Å; R455-Y465 WeakPolarHBondContact O-CE2 3.17Å; R455-Y465 PolarHBondContact O-OH 3.38Å | ||
| 456 | W | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | trans | -67.4 | 103.9 | 174.9 | -70.9 | 103.9 | 0 | 0 | 0 | 111.8 | F423 Y424 A427 L437 C452 Q505 A507 I512 L514 | F423-W456 HydrophobicContact CE1-CB 3.69Å; F423-W456 AromaticContact CE1-CD1 3.96Å; F423-W456 AromaticContact CE1-CD2 4Å; F423-W456 HydrophobicContact CE1-CD2 4Å; F423-W456 AromaticContact CE1-CG 3.59Å; F423-W456 HydrophobicContact CE1-CG 3.59Å; F423-W456 HydrophobicContact CZ-CB 4.36Å; F423-W456 AromaticContact CZ-CD1 3.75Å; F423-W456 HydrophobicContact CZ-CD2 4.23Å; F423-W456 AromaticContact CZ-CG 3.85Å; F423-W456 HydrophobicContact CZ-CG 3.85Å; Y424-W456 HydrophobicContact CD1-CB 4.18Å; Y424-W456 HydrophobicContact CE1-CB 4.39Å; A427-W456 HydrophobicContact CB-CB 3.76Å; L437-W456 HydrophobicContact CD2-CZ2 4.38Å; C452-W456 HydrophobicContact CB-CZ2 4.47Å; C452-W456 VanDerWaalsContact SG-CZ2 3.52Å; W456-Q505 HydrophobicContact CH2-CB 3.96Å; W456-Q505 HydrophobicContact CZ3-CB 4.24Å; W456-A507 HydrophobicContact CE3-CB 4Å; W456-A507 HydrophobicContact CZ3-CB 4.32Å; W456-I512 HydrophobicContact CD2-CG2 4.49Å; W456-I512 HydrophobicContact CE3-CB 4.09Å; W456-I512 HydrophobicContact CE3-CG2 3.6Å; W456-I512 HydrophobicContact CH2-CB 3.93Å; W456-I512 HydrophobicContact CH2-CD1 4.16Å; W456-I512 HydrophobicContact CH2-CG2 4.36Å; W456-I512 HydrophobicContact CZ2-CD1 4.27Å; W456-I512 HydrophobicContact CZ3-CB 3.53Å; W456-I512 HydrophobicContact CZ3-CD1 4.31Å; W456-I512 HydrophobicContact CZ3-CG1 4.49Å; W456-I512 HydrophobicContact CZ3-CG2 3.54Å; W456-L514 HydrophobicContact CH2-CD1 4.12Å; W456-L514 HydrophobicContact CH2-CD2 4.08Å; W456-L514 HydrophobicContact CH2-CG 3.88Å; W456-L514 HydrophobicContact CZ2-CD1 4Å; W456-L514 HydrophobicContact CZ2-CD2 4.08Å; W456-L514 HydrophobicContact CZ2-CG 4.12Å | ||
| 457 | Q | 90.9 | Very high | 91.2 | Very high | 89 Ų | 89 | 46.7 Ų | 46.7 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | trans | -137.3 | 132.6 | 173.8 | 73.4 | -173.9 | 4.6 | 0 | 0 | 111.3 | R455 H459 Y465 A507 | R455-Q457 PolarHBondContact O-N 3.38Å; Q457-H459 WeakPolarHBondContact CG-NE2 3.43Å; Q457-H459 PolarHBondContact NE2-CE1 3.4Å; Q457-H459 PolarHBondContact NE2-NE2 3.25Å; Q457-H459 PolarHBondContact O-CD2 3.35Å; Q457-H459 PolarHBondContact O-N 3.39Å; Q457-Y465 PolarHBondContact N-OH 3.38Å; Q457-A507 VanDerWaalsContact O-CB 3.24Å; Q457-A507 WeakPolarHBondContact O-CB 3.49Å | ||
| 458 | P | 87.5 | Confident | 91 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | trans | -70.7 | 128.2 | 176.6 | 28.1 | -31.7 | 0 | 0 | 0 | 110.2 | Y424 | Y424-P458 HydrophobicContact CD2-CB 4.3Å; Y424-P458 HydrophobicContact CD2-CG 3.76Å; Y424-P458 HydrophobicContact CE2-CB 3.9Å; Y424-P458 HydrophobicContact CE2-CG 3.89Å; Y424-P458 HydrophobicContact CG-CG 4.26Å | ||
| 459 | H | 80.6 | Confident | 90.8 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 35% | 0.352 | 27% | 0.272 | S | S | . | . | trans | -100 | 146.1 | 175 | -75.1 | -83.8 | 0 | 0 | 0 | 111 | Q457 E461 S462 Y465 A507 | Q457-H459 WeakPolarHBondContact CG-NE2 3.43Å; Q457-H459 PolarHBondContact NE2-CE1 3.4Å; Q457-H459 PolarHBondContact NE2-NE2 3.25Å; Q457-H459 PolarHBondContact O-CD2 3.35Å; Q457-H459 PolarHBondContact O-N 3.39Å; H459-E461 PolarHBondContact O-N 3.2Å; H459-S462 PolarHBondContact O-N 3.06Å; H459-S462 VanDerWaalsContact O-N 3.14Å; H459-Y465 AromaticContact CD2-CD1 4Å; H459-Y465 AromaticContact CD2-CE1 3.94Å; H459-A507 PolarHBondContact N-O 3.08Å | ||
| 460 | V | 72.2 | Confident | 90.7 | Very high | 156 Ų | 156 | 50.3 Ų | 50.3 | 95% | 0.945 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -40.9 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 461 | E | 74 | Confident | 90.6 | Very high | 164 Ų | 164 | 50.5 Ų | 50.5 | 77% | 0.766 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.8 | -176.5 | -66.9 | -177.6 | 175.1 | 0 | 0 | 113.9 | H459 V463 | H459-E461 PolarHBondContact O-N 3.2Å; E461-V463 VanDerWaalsContact C-N 3.3Å; E461-V463 HydrophobicContact CB-CG2 3.58Å; E461-V463 PolarHBondContact O-N 3.32Å |
| 462 | S | 76 | Confident | 90.7 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | trans | 45.7 | 52.4 | -178.4 | -161.8 | 0 | 0 | 0 | 0 | 112.7 | H459 R506 | H459-S462 PolarHBondContact O-N 3.06Å; H459-S462 VanDerWaalsContact O-N 3.14Å; S462-R506 WeakPolarHBondContact O-CD 3.26Å | ||
| 463 | V | 89.9 | Confident | 90.7 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | trans | -91 | 151.7 | -179.4 | -167.4 | 0 | 0 | 0 | 0 | 109.7 | E461 | E461-V463 VanDerWaalsContact C-N 3.3Å; E461-V463 HydrophobicContact CB-CG2 3.58Å; E461-V463 PolarHBondContact O-N 3.32Å | ||
| 464 | Y | 94 | Very high | 90.8 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | trans | -74.4 | 139.8 | 169 | -70.5 | -87.8 | 0 | 0 | 0 | 110.6 | R503 Q505 R506 E513 G516 | Y464-R503 HydrophobicContact CD1-CB 3.69Å; Y464-R503 HydrophobicContact CD1-CG 4.41Å; Y464-R503 HydrophobicContact CD2-CB 3.97Å; Y464-R503 HydrophobicContact CD2-CG 3.76Å; Y464-R503 HydrophobicContact CE1-CB 3.94Å; Y464-R503 HydrophobicContact CE2-CB 4.16Å; Y464-R503 HydrophobicContact CE2-CG 4.01Å; Y464-R503 HydrophobicContact CG-CB 3.73Å; Y464-R503 HydrophobicContact CG-CG 3.98Å; Y464-Q505 CarbonylContact C-O 3.52Å; Y464-Q505 VanDerWaalsContact CA-O 3.26Å; Y464-Q505 WeakPolarHBondContact CA-O 3.28Å; Y464-R506 HydrophobicContact CD1-CB 3.53Å; Y464-R506 HydrophobicContact CE1-CB 3.53Å; Y464-R506 HydrophobicContact CG-CB 4.06Å; Y464-E513 PolarHBondContact OH-OE2 2.82Å; Y464-G516 WeakPolarHBondContact OH-CA 3.15Å | ||
| 465 | Y | 95 | Very high | 90.8 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -139.9 | -173.3 | 178.8 | 61.7 | -80.7 | 0 | 0 | 0 | 109.7 | D454 R455 Q457 H459 F504 Q505 A507 | D454-Y465 HydrophobicContact CB-CD2 3.9Å; D454-Y465 HydrophobicContact CB-CE2 4.08Å; R455-Y465 WeakPolarHBondContact O-CE2 3.17Å; R455-Y465 PolarHBondContact O-OH 3.38Å; Q457-Y465 PolarHBondContact N-OH 3.38Å; H459-Y465 AromaticContact CD2-CD1 4Å; H459-Y465 AromaticContact CD2-CE1 3.94Å; Y465-F504 WeakPolarHBondContact O-CB 3.5Å; Y465-Q505 HydrophobicContact CD1-CG 4.37Å; Y465-Q505 WeakPolarHBondContact CD1-O 3.34Å; Y465-Q505 HydrophobicContact CD2-CG 3.8Å; Y465-Q505 HydrophobicContact CE1-CG 4.27Å; Y465-Q505 HydrophobicContact CE2-CG 3.69Å; Y465-Q505 HydrophobicContact CG-CG 4.14Å; Y465-Q505 PolarHBondContact N-O 3.33Å; Y465-Q505 VanDerWaalsContact O-CG 3.32Å; Y465-Q505 WeakPolarHBondContact O-CG 3.2Å; Y465-Q505 PolarHBondContact O-N 3.33Å; Y465-Q505 VanDerWaalsContact O-N 3.07Å; Y465-A507 HydrophobicContact CE1-CB 4.17Å; Y465-A507 WeakPolarHBondContact OH-CB 3.37Å |
| 466 | G | 93.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 49 Ų | 49 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | trans | 89.5 | -172.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S453 F504 | S453-G466 WeakPolarHBondContact OG-CA 3.39Å; G466-F504 WeakPolarHBondContact O-CD2 3.48Å | ||
| 467 | N | 93.7 | Very high | 90.7 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | trans | -141.1 | -178.7 | -176.2 | 67.4 | 42.1 | 0 | 0 | 0 | 112.9 | S453 L469 C470 F504 | S453-N467 VanDerWaalsContact CB-OD1 3.26Å; S453-N467 WeakPolarHBondContact CB-OD1 3.43Å; S453-N467 PolarHBondContact OG-N 2.63Å; S453-N467 PolarHBondContact OG-OD1 2.98Å; N467-L469 PolarHBondContact O-N 3.31Å; N467-L469 WeakPolarHBondContact OD1-CB 3.44Å; N467-L469 WeakPolarHBondContact OD1-CG 3.33Å; N467-L469 PolarHBondContact OD1-N 3.17Å; N467-C470 WeakPolarHBondContact O-CB 3.45Å; N467-C470 PolarHBondContact O-N 3.24Å; N467-C470 PolarHBondContact O-SG 2.91Å; N467-F504 WeakPolarHBondContact O-CD1 3.17Å | ||
| 468 | G | 92.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -4.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C470 W485 | G468-C470 VanDerWaalsContact C-N 3.31Å; G468-W485 VanDerWaalsContact CA-CE3 3.42Å |
| 469 | L | 93.4 | Very high | 90.3 | Very high | 55 Ų | 55 | 51.2 Ų | 51.2 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18 | 170.9 | -60.9 | 175.4 | 0 | 0 | 0 | 112.5 | D397 F451 N467 F471 | D397-L469 HydrophobicContact CB-CD2 4.27Å; F451-L469 WeakPolarHBondContact CD1-O 3.5Å; F451-L469 HydrophobicContact CE1-CB 4.21Å; N467-L469 PolarHBondContact O-N 3.31Å; N467-L469 WeakPolarHBondContact OD1-CB 3.44Å; N467-L469 WeakPolarHBondContact OD1-CG 3.33Å; N467-L469 PolarHBondContact OD1-N 3.17Å; L469-F471 WeakPolarHBondContact O-CD1 3.4Å |
| 470 | C | 96.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | trans | -61.1 | 145 | 176.1 | -66.9 | 0 | 0 | 0 | 0 | 111.1 | F451 S453 N467 G468 F504 F542 | F451-C470 VanDerWaalsContact O-CA 3.28Å; F451-C470 WeakPolarHBondContact O-CA 3.31Å; S453-C470 PolarHBondContact N-SG 3Å; S453-C470 PolarHBondContact OG-SG 2.97Å; S453-C470 VanDerWaalsContact OG-SG 3.38Å; N467-C470 WeakPolarHBondContact O-CB 3.45Å; N467-C470 PolarHBondContact O-N 3.24Å; N467-C470 PolarHBondContact O-SG 2.91Å; G468-C470 VanDerWaalsContact C-N 3.31Å; C470-F504 HydrophobicContact CB-CB 4.06Å; C470-F504 HydrophobicContact CB-CD1 4.18Å; C470-F504 HydrophobicContact CB-CG 4.46Å; C470-F542 HydrophobicContact CB-CE1 4.2Å; C470-F542 HydrophobicContact CB-CZ 4.07Å; C470-F542 VanDerWaalsContact O-CE1 3.31Å; C470-F542 WeakPolarHBondContact O-CE1 3.38Å | ||
| 471 | F | 97.3 | Very high | 92 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 152.1 | 172.2 | 59.9 | -99.7 | 0 | 0 | 0 | 111.2 | I392 V396 A450 F451 L469 F473 I482 Y483 R484 | I392-F471 HydrophobicContact CG2-CE2 4.38Å; I392-F471 HydrophobicContact CG2-CZ 4.37Å; V396-F471 HydrophobicContact CB-CE1 4.47Å; V396-F471 HydrophobicContact CG2-CE1 3.9Å; V396-F471 HydrophobicContact CG2-CZ 4.04Å; A450-F471 CarbonylContact C-O 3.53Å; A450-F471 WeakPolarHBondContact CA-O 3.42Å; A450-F471 WeakPolarHBondContact CB-O 3.4Å; F451-F471 HydrophobicContact CB-CD1 3.78Å; F451-F471 HydrophobicContact CB-CD2 4.16Å; F451-F471 HydrophobicContact CB-CE1 3.39Å; F451-F471 HydrophobicContact CB-CE2 3.81Å; F451-F471 HydrophobicContact CB-CG 4.15Å; F451-F471 HydrophobicContact CB-CZ 3.41Å; F451-F471 VanDerWaalsContact CB-CZ 3.41Å; F451-F471 HydrophobicContact CD1-CD1 4.24Å; F451-F471 AromaticContact CD1-CE1 3.96Å; F451-F471 HydrophobicContact CD1-CE1 3.96Å; F451-F471 HydrophobicContact CG-CD1 4.33Å; F451-F471 AromaticContact CG-CE1 3.77Å; F451-F471 HydrophobicContact CG-CE1 3.77Å; F451-F471 HydrophobicContact CG-CZ 4.1Å; F451-F471 PolarHBondContact N-O 3.36Å; F451-F471 PolarHBondContact O-N 2.69Å; L469-F471 WeakPolarHBondContact O-CD1 3.4Å; F471-F473 HydrophobicContact CD2-CD1 4.02Å; F471-F473 AromaticContact CE2-CD1 3.71Å; F471-F473 HydrophobicContact CE2-CD1 3.71Å; F471-F473 HydrophobicContact CE2-CE1 4.41Å; F471-I482 HydrophobicContact CB-CG2 4.11Å; F471-I482 HydrophobicContact CD2-CG2 3.65Å; F471-I482 HydrophobicContact CE2-CD1 4.24Å; F471-I482 HydrophobicContact CE2-CG2 4.21Å; F471-I482 HydrophobicContact CG-CG2 3.94Å; F471-Y483 WeakPolarHBondContact CA-O 3.32Å; F471-Y483 VanDerWaalsContact CB-O 3.28Å; F471-Y483 WeakPolarHBondContact CB-O 3.27Å; F471-R484 HydrophobicContact CB-CG 4.44Å |
| 472 | L | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 154.7 | 169.5 | -63.6 | 173.9 | 0 | 0 | 0 | 110.1 | A450 Y483 L514 L525 F542 N544 L547 | A450-L472 HydrophobicContact CB-CD2 3.79Å; L472-Y483 HydrophobicContact CB-CD2 4.36Å; L472-Y483 PolarHBondContact N-O 2.95Å; L472-Y483 PolarHBondContact O-N 3.03Å; L472-L514 HydrophobicContact CD2-CB 3.83Å; L472-L525 HydrophobicContact CD2-CB 4.24Å; L472-F542 HydrophobicContact CD1-CB 4.28Å; L472-F542 HydrophobicContact CD1-CD2 3.46Å; L472-F542 VanDerWaalsContact CD1-CD2 3.46Å; L472-F542 HydrophobicContact CD1-CE2 4.11Å; L472-F542 HydrophobicContact CD1-CG 4.13Å; L472-F542 HydrophobicContact CD2-CE2 4.44Å; L472-F542 HydrophobicContact CG-CD2 3.59Å; L472-F542 HydrophobicContact CG-CE2 3.88Å; L472-F542 HydrophobicContact CG-CG 4.12Å; L472-N544 HydrophobicContact CD1-CB 4.27Å; L472-L547 HydrophobicContact CB-CD1 4.23Å; L472-L547 HydrophobicContact CB-CD2 4.38Å; L472-L547 HydrophobicContact CD1-CD1 4.27Å; L472-L547 HydrophobicContact CD2-CD1 4.32Å |
| 473 | F | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 156.3 | 172.1 | 59.7 | -99.6 | 0 | 0 | 0 | 113 | I392 I436 L438 I448 G449 A450 F471 I475 F480 V481 I482 | I392-F473 HydrophobicContact CD1-CD2 4.45Å; I392-F473 HydrophobicContact CD1-CE1 4.35Å; I392-F473 HydrophobicContact CD1-CE2 3.79Å; I392-F473 HydrophobicContact CD1-CZ 3.72Å; I392-F473 HydrophobicContact CG1-CD2 4.41Å; I392-F473 HydrophobicContact CG1-CE1 4.34Å; I392-F473 HydrophobicContact CG1-CE2 4.2Å; I392-F473 HydrophobicContact CG1-CZ 4.15Å; I392-F473 HydrophobicContact CG2-CD1 4.26Å; I392-F473 HydrophobicContact CG2-CE1 3.81Å; I392-F473 HydrophobicContact CG2-CZ 4.24Å; I436-F473 HydrophobicContact CG2-CE1 3.99Å; I436-F473 HydrophobicContact CG2-CZ 3.78Å; L438-F473 HydrophobicContact CD2-CE2 3.79Å; L438-F473 HydrophobicContact CD2-CZ 3.72Å; I448-F473 WeakPolarHBondContact CA-O 3.18Å; G449-F473 PolarHBondContact N-O 3.04Å; G449-F473 PolarHBondContact O-N 2.87Å; A450-F473 VanDerWaalsContact C-CE1 3.49Å; A450-F473 VanDerWaalsContact N-CE1 3.29Å; F471-F473 HydrophobicContact CD2-CD1 4.02Å; F471-F473 AromaticContact CE2-CD1 3.71Å; F471-F473 HydrophobicContact CE2-CD1 3.71Å; F471-F473 HydrophobicContact CE2-CE1 4.41Å; F473-I475 HydrophobicContact CD2-CD1 4.27Å; F473-I475 HydrophobicContact CD2-CG1 4.03Å; F473-I475 HydrophobicContact CE2-CD1 4Å; F473-I475 HydrophobicContact CE2-CG1 4.27Å; F473-F480 HydrophobicContact CB-CE2 3.99Å; F473-F480 HydrophobicContact CD2-CE2 4.26Å; F473-F480 HydrophobicContact CG-CE2 4.3Å; F473-V481 CarbonylContact C-O 3.47Å; F473-V481 WeakPolarHBondContact CA-O 3.19Å; F473-V481 WeakPolarHBondContact CB-O 3.4Å; F473-I482 HydrophobicContact CB-CG1 4.14Å |
| 474 | R | 97.5 | Very high | 94.3 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.4 | 169 | 178.2 | 177.6 | 74.6 | -133.6 | -1.5 | 108.9 | I448 K476 P477 F480 V481 L547 | I448-R474 HydrophobicContact CG2-CB 4.19Å; I448-R474 HydrophobicContact CG2-CG 3.99Å; R474-K476 WeakPolarHBondContact CG-O 3.44Å; R474-P477 PolarHBondContact NE-O 3.25Å; R474-F480 CarbonylContact O-C 3.48Å; R474-F480 VanDerWaalsContact O-CA 3.27Å; R474-F480 WeakPolarHBondContact O-CA 3.38Å; R474-F480 WeakPolarHBondContact O-CD2 3.22Å; R474-V481 PolarHBondContact N-O 3.39Å; R474-V481 PolarHBondContact O-N 3.43Å; R474-L547 WeakPolarHBondContact CD-O 3.42Å |
| 475 | I | 96 | Very high | 94.3 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.046 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -47.7 | 173.5 | -60.8 | 169.8 | 0 | 0 | 0 | 109.9 | V384 E388 I392 L438 I447 F473 F480 | V384-I475 HydrophobicContact CB-CD1 4.46Å; V384-I475 HydrophobicContact CG1-CD1 3.42Å; V384-I475 VanDerWaalsContact CG1-CD1 3.42Å; E388-I475 HydrophobicContact CB-CD1 4.4Å; E388-I475 HydrophobicContact CB-CG2 4.38Å; E388-I475 HydrophobicContact CG-CG2 3.84Å; E388-I475 WeakPolarHBondContact OE1-CG2 3.34Å; I392-I475 HydrophobicContact CD1-CD1 3.81Å; I392-I475 HydrophobicContact CG1-CD1 4.45Å; L438-I475 HydrophobicContact CD2-CD1 4.5Å; I447-I475 HydrophobicContact CB-CB 4.21Å; I447-I475 HydrophobicContact CG2-CB 4.27Å; I447-I475 HydrophobicContact CG2-CD1 4.04Å; I447-I475 PolarHBondContact O-N 2.95Å; F473-I475 HydrophobicContact CD2-CD1 4.27Å; F473-I475 HydrophobicContact CD2-CG1 4.03Å; F473-I475 HydrophobicContact CE2-CD1 4Å; F473-I475 HydrophobicContact CE2-CG1 4.27Å; I475-F480 HydrophobicContact CB-CD2 4.4Å; I475-F480 HydrophobicContact CG1-CD2 3.7Å; I475-F480 HydrophobicContact CG1-CE2 3.87Å |
| 476 | K | 94.7 | Very high | 94.3 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.4 | 179 | -56.9 | -171.8 | -177.7 | 166.6 | 0 | 111.9 | N445 S446 I447 R474 | N445-K476 CarbonylContact O-C 3.6Å; N445-K476 WeakPolarHBondContact O-CB 3.16Å; S446-K476 VanDerWaalsContact CA-O 3.27Å; S446-K476 WeakPolarHBondContact CA-O 3.28Å; I447-K476 HydrophobicContact CB-CB 4.17Å; I447-K476 HydrophobicContact CB-CG 4.3Å; I447-K476 HydrophobicContact CD1-CD 3.71Å; I447-K476 HydrophobicContact CD1-CG 4.16Å; I447-K476 HydrophobicContact CG1-CB 4.18Å; I447-K476 HydrophobicContact CG1-CD 4.08Å; I447-K476 HydrophobicContact CG1-CG 4.2Å; I447-K476 PolarHBondContact N-O 3.23Å; I447-K476 PolarHBondContact O-N 2.87Å; R474-K476 WeakPolarHBondContact CG-O 3.44Å |
| 477 | P | 92.5 | Very high | 94 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 25% | 0.253 | 22% | 0.218 | S | C | . | . | S | Bend | cis | -63.9 | 146.8 | -11.6 | 29 | -35.2 | 0 | 0 | 0 | 110.9 | R474 T549 D550 | R474-P477 PolarHBondContact NE-O 3.25Å; P477-T549 WeakPolarHBondContact CD-OG1 3.48Å; P477-T549 WeakPolarHBondContact CG-OG1 3.48Å; P477-D550 HydrophobicContact CG-CB 4.32Å |
| 478 | G | 79.3 | Confident | 93.6 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 61% | 0.608 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -65.8 | 163.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 479 | P | 90.3 | Very high | 93 | Very high | 97 Ų | 97 | 42.8 Ų | 42.8 | 63% | 0.63 | 24% | 0.244 | S | C | * | . | S | Bend | cis | -76.1 | 165.4 | 6.4 | 31.6 | -36.6 | 0 | 0 | 0 | 113.7 | V481 | P479-V481 HydrophobicContact CG-CG2 4.34Å; P479-V481 WeakPolarHBondContact O-CG2 3.42Å; P479-V481 PolarHBondContact O-N 3.38Å |
| 480 | F | 92.5 | Very high | 92.5 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -65 | 125.8 | 169.5 | 175.9 | -119.8 | 0 | 0 | 0 | 110.2 | I392 F473 R474 I475 I482 | I392-F480 HydrophobicContact CG1-CE2 4.08Å; I392-F480 HydrophobicContact CG1-CZ 4.04Å; F473-F480 HydrophobicContact CB-CE2 3.99Å; F473-F480 HydrophobicContact CD2-CE2 4.26Å; F473-F480 HydrophobicContact CG-CE2 4.3Å; R474-F480 CarbonylContact O-C 3.48Å; R474-F480 VanDerWaalsContact O-CA 3.27Å; R474-F480 WeakPolarHBondContact O-CA 3.38Å; R474-F480 WeakPolarHBondContact O-CD2 3.22Å; I475-F480 HydrophobicContact CB-CD2 4.4Å; I475-F480 HydrophobicContact CG1-CD2 3.7Å; I475-F480 HydrophobicContact CG1-CE2 3.87Å; F480-I482 HydrophobicContact CE1-CD1 3.7Å; F480-I482 HydrophobicContact CE1-CG1 3.86Å; F480-I482 HydrophobicContact CE2-CG1 4.28Å; F480-I482 HydrophobicContact CZ-CD1 3.62Å; F480-I482 HydrophobicContact CZ-CG1 3.63Å |
| 481 | V | 95.9 | Very high | 91.9 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.8 | -178.1 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | F473 R474 P479 Y483 | F473-V481 CarbonylContact C-O 3.47Å; F473-V481 WeakPolarHBondContact CA-O 3.19Å; F473-V481 WeakPolarHBondContact CB-O 3.4Å; R474-V481 PolarHBondContact N-O 3.39Å; R474-V481 PolarHBondContact O-N 3.43Å; P479-V481 HydrophobicContact CG-CG2 4.34Å; P479-V481 WeakPolarHBondContact O-CG2 3.42Å; P479-V481 PolarHBondContact O-N 3.38Å; V481-Y483 HydrophobicContact CB-CE2 4.18Å; V481-Y483 HydrophobicContact CG1-CD2 4.38Å; V481-Y483 HydrophobicContact CG1-CE1 3.96Å; V481-Y483 HydrophobicContact CG1-CE2 3.77Å |
| 482 | I | 95.8 | Very high | 91.4 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 20% | 0.195 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.1 | 175.5 | -64.4 | -176.4 | 0 | 0 | 0 | 109.8 | S395 F471 F473 F480 R484 | S395-I482 WeakPolarHBondContact OG-CD1 3.24Å; F471-I482 HydrophobicContact CB-CG2 4.11Å; F471-I482 HydrophobicContact CD2-CG2 3.65Å; F471-I482 HydrophobicContact CE2-CD1 4.24Å; F471-I482 HydrophobicContact CE2-CG2 4.21Å; F471-I482 HydrophobicContact CG-CG2 3.94Å; F473-I482 HydrophobicContact CB-CG1 4.14Å; F480-I482 HydrophobicContact CE1-CD1 3.7Å; F480-I482 HydrophobicContact CE1-CG1 3.86Å; F480-I482 HydrophobicContact CE2-CG1 4.28Å; F480-I482 HydrophobicContact CZ-CD1 3.62Å; F480-I482 HydrophobicContact CZ-CG1 3.63Å; I482-R484 HydrophobicContact CG2-CG 4.11Å |
| 483 | Y | 96.9 | Very high | 90.8 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 13% | 0.129 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 94.8 | 176.7 | -54.6 | -86.4 | 0 | 0 | 0 | 108.7 | F471 L472 V481 F542 N544 L547 | F471-Y483 WeakPolarHBondContact CA-O 3.32Å; F471-Y483 VanDerWaalsContact CB-O 3.28Å; F471-Y483 WeakPolarHBondContact CB-O 3.27Å; L472-Y483 HydrophobicContact CB-CD2 4.36Å; L472-Y483 PolarHBondContact N-O 2.95Å; L472-Y483 PolarHBondContact O-N 3.03Å; V481-Y483 HydrophobicContact CB-CE2 4.18Å; V481-Y483 HydrophobicContact CG1-CD2 4.38Å; V481-Y483 HydrophobicContact CG1-CE1 3.96Å; V481-Y483 HydrophobicContact CG1-CE2 3.77Å; Y483-F542 WeakPolarHBondContact O-CD1 3.33Å; Y483-N544 HydrophobicContact CD1-CB 3.58Å; Y483-N544 HydrophobicContact CD2-CB 3.95Å; Y483-N544 HydrophobicContact CE1-CB 4.08Å; Y483-N544 HydrophobicContact CE2-CB 4.41Å; Y483-N544 HydrophobicContact CG-CB 3.49Å; Y483-N544 VanDerWaalsContact CG-CB 3.49Å; Y483-L547 HydrophobicContact CD2-CD2 3.84Å; Y483-L547 HydrophobicContact CE2-CD2 3.59Å |
| 484 | R | 95.9 | Very high | 90.3 | Very high | 94 Ų | 94 | 67 Ų | 67 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 160.4 | 177.5 | -76.5 | -175.5 | 166.5 | 70.7 | -0.2 | 111.1 | S395 D397 F471 I482 I486 | S395-R484 PolarHBondContact O-NH2 3.45Å; D397-R484 IonicContact OD1-CZ 2.7Å; D397-R484 IonicContact OD1-NE 3.49Å; D397-R484 PolarHBondContact OD1-NE 3.34Å; D397-R484 IonicContact OD1-NH2 3.71Å; D397-R484 PolarHBondContact OD1-NH2 2.87Å; D397-R484 IonicContact OD2-NE 2.75Å; F471-R484 HydrophobicContact CB-CG 4.44Å; I482-R484 HydrophobicContact CG2-CG 4.11Å; R484-I486 PolarHBondContact O-N 2.99Å |
| 485 | W | 95.3 | Very high | 89.6 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | trans | -56.7 | 129.2 | 168.3 | 174.8 | 52.6 | 0 | 0 | 0 | 110.9 | G468 G487 S488 I496 Y501 Q502 F504 T541 F542 | G468-W485 VanDerWaalsContact CA-CE3 3.42Å; W485-G487 PolarHBondContact O-N 3.25Å; W485-G487 VanDerWaalsContact O-N 3.17Å; W485-S488 WeakPolarHBondContact O-CB 2.99Å; W485-S488 PolarHBondContact O-N 3.43Å; W485-S488 PolarHBondContact O-OG 2.93Å; W485-I496 HydrophobicContact CH2-CG2 4.19Å; W485-Y501 VanDerWaalsContact CD1-O 3.26Å; W485-Y501 PolarHBondContact NE1-O 3.17Å; W485-Q502 HydrophobicContact CZ2-CG 4.45Å; W485-F504 HydrophobicContact CB-CE1 4.07Å; W485-F504 AromaticContact CD1-CE1 3.47Å; W485-F504 VanDerWaalsContact CD1-CE1 3.47Å; W485-F504 AromaticContact CD2-CE1 3.9Å; W485-F504 HydrophobicContact CD2-CE1 3.9Å; W485-F504 HydrophobicContact CD2-CZ 4.15Å; W485-F504 AromaticContact CE2-CE1 3.98Å; W485-F504 AromaticContact CE2-CZ 3.91Å; W485-F504 AromaticContact CG-CE1 3.57Å; W485-F504 HydrophobicContact CG-CE1 3.57Å; W485-F504 HydrophobicContact CG-CZ 4.28Å; W485-F504 HydrophobicContact CZ2-CZ 4.33Å; W485-F504 AromaticContact NE1-CE1 3.73Å; W485-F504 AromaticContact NE1-CZ 3.93Å; W485-T541 WeakPolarHBondContact CA-O 3.17Å; W485-T541 VanDerWaalsContact CD1-O 3.28Å; W485-F542 HydrophobicContact CB-CD1 4.49Å; W485-F542 HydrophobicContact CB-CE1 4.41Å | ||
| 486 | I | 93.2 | Very high | 89.1 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -61.3 | -27.4 | -176.3 | -167.8 | 166.3 | 0 | 0 | 0 | 113.3 | R484 S488 S489 S490 I495 Y501 T541 | R484-I486 PolarHBondContact O-N 2.99Å; I486-S488 PolarHBondContact O-N 2.92Å; I486-S489 PolarHBondContact O-N 2.97Å; I486-S489 PolarHBondContact O-OG 3.23Å; I486-S490 WeakPolarHBondContact O-CB 3.48Å; I486-S490 PolarHBondContact O-N 3.01Å; I486-I495 HydrophobicContact CG2-CG2 3.66Å; I486-Y501 HydrophobicContact CG2-CD1 3.62Å; I486-Y501 HydrophobicContact CG2-CE1 4.22Å; I486-Y501 HydrophobicContact CG2-CG 4.38Å; I486-T541 PolarHBondContact N-O 3.45Å |
| 487 | G | 89.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -68.9 | -15.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W485 S489 | W485-G487 PolarHBondContact O-N 3.25Å; W485-G487 VanDerWaalsContact O-N 3.17Å; G487-S489 PolarHBondContact O-N 3.2Å |
| 488 | S | 84.6 | Confident | 88.5 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 42% | 0.42 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -69.7 | -21.6 | 176.4 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | W485 I486 | W485-S488 WeakPolarHBondContact O-CB 2.99Å; W485-S488 PolarHBondContact O-N 3.43Å; W485-S488 PolarHBondContact O-OG 2.93Å; I486-S488 PolarHBondContact O-N 2.92Å |
| 489 | S | 80.8 | Confident | 88.9 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 73% | 0.727 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -119.5 | 5.3 | -177.5 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | I486 G487 | I486-S489 PolarHBondContact O-N 2.97Å; I486-S489 PolarHBondContact O-OG 3.23Å; G487-S489 PolarHBondContact O-N 3.2Å |
| 490 | S | 83.1 | Confident | 88.9 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 16% | 0.161 | 38% | 0.378 | C | S | . | . | trans | -114.7 | 132.2 | -174.9 | 173 | 0 | 0 | 0 | 0 | 110.1 | I486 D492 I496 | I486-S490 WeakPolarHBondContact O-CB 3.48Å; I486-S490 PolarHBondContact O-N 3.01Å; S490-D492 VanDerWaalsContact C-N 3.33Å; S490-D492 WeakPolarHBondContact OG-CB 3.44Å; S490-D492 PolarHBondContact OG-N 2.98Å; S490-D492 VanDerWaalsContact OG-N 3.09Å; S490-I496 WeakPolarHBondContact O-CD1 3.41Å | ||
| 491 | D | 84.1 | Confident | 88.9 | Confident | 166 Ų | 166 | 72.5 Ų | 72.5 | 89% | 0.888 | 37% | 0.371 | S | S | * | . | trans | -88.1 | -3.1 | 169.5 | -62.9 | -34.8 | 0 | 0 | 0 | 112.2 | E493 | D491-E493 PolarHBondContact O-N 3.35Š| ||
| 492 | D | 86.3 | Confident | 88.8 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | trans | -74.2 | 107.3 | 179 | -170.9 | -11.1 | 0 | 0 | 0 | 111.6 | S490 K494 I495 I496 | S490-D492 VanDerWaalsContact C-N 3.33Å; S490-D492 WeakPolarHBondContact OG-CB 3.44Å; S490-D492 PolarHBondContact OG-N 2.98Å; S490-D492 VanDerWaalsContact OG-N 3.09Å; D492-K494 PolarHBondContact O-N 3.48Å; D492-K494 VanDerWaalsContact O-N 3.14Å; D492-K494 VanDerWaalsContact OD1-CB 3.31Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 2.91Å; D492-I495 HydrophobicContact CB-CB 4.45Å; D492-I495 HydrophobicContact CB-CD1 4.15Å; D492-I495 HydrophobicContact CB-CG1 4.16Å; D492-I495 PolarHBondContact O-N 3.49Å; D492-I496 WeakPolarHBondContact O-CG1 3.36Å; D492-I496 PolarHBondContact O-N 3.36Å | ||
| 493 | E | 86.1 | Confident | 88.8 | Confident | 139 Ų | 139 | 76.6 Ų | 76.6 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.5 | -28.9 | 177.1 | -70.9 | -163.1 | 169.1 | 0 | 0 | 113.4 | D491 I495 I496 H497 | D491-E493 PolarHBondContact O-N 3.35Å; E493-I495 VanDerWaalsContact C-N 3.3Å; E493-I495 PolarHBondContact O-N 3.26Å; E493-I496 PolarHBondContact O-N 2.96Å; E493-H497 WeakPolarHBondContact O-CB 3.38Å; E493-H497 PolarHBondContact O-CD2 3.46Å; E493-H497 PolarHBondContact O-N 3.34Å |
| 494 | K | 85.7 | Confident | 88.8 | Confident | 166 Ų | 166 | 75.5 Ų | 75.5 | 72% | 0.722 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.6 | -33.4 | 177.2 | -65.2 | -179 | -179.4 | 175.9 | 0 | 111.9 | D492 S498 | D492-K494 PolarHBondContact O-N 3.48Å; D492-K494 VanDerWaalsContact O-N 3.14Å; D492-K494 VanDerWaalsContact OD1-CB 3.31Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 2.91Å; K494-S498 WeakPolarHBondContact O-CB 3.49Å; K494-S498 PolarHBondContact O-N 3.32Å |
| 495 | I | 84.6 | Confident | 88.8 | Confident | 31 Ų | 31 | 71 Ų | 71 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -76 | -46.8 | 175.1 | -63.1 | 179.9 | 0 | 0 | 0 | 109.2 | I486 D492 E493 H497 Y501 | I486-I495 HydrophobicContact CG2-CG2 3.66Å; D492-I495 HydrophobicContact CB-CB 4.45Å; D492-I495 HydrophobicContact CB-CD1 4.15Å; D492-I495 HydrophobicContact CB-CG1 4.16Å; D492-I495 PolarHBondContact O-N 3.49Å; E493-I495 VanDerWaalsContact C-N 3.3Å; E493-I495 PolarHBondContact O-N 3.26Å; I495-H497 VanDerWaalsContact C-N 3.33Å; I495-H497 PolarHBondContact O-N 2.96Å; I495-Y501 HydrophobicContact CB-CD2 4.48Å; I495-Y501 HydrophobicContact CG1-CE2 4.3Å; I495-Y501 HydrophobicContact CG2-CD1 4.09Å; I495-Y501 HydrophobicContact CG2-CD2 4.19Å; I495-Y501 HydrophobicContact CG2-CE1 4.37Å; I495-Y501 HydrophobicContact CG2-CE2 4.44Å; I495-Y501 HydrophobicContact CG2-CG 4Å; I495-Y501 WeakPolarHBondContact O-CB 3.31Å |
| 496 | I | 84.3 | Confident | 88.8 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 23% | 0.226 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | -177.6 | -66 | 167.7 | 0 | 0 | 0 | 111.1 | W485 S490 D492 E493 Q502 | W485-I496 HydrophobicContact CH2-CG2 4.19Å; S490-I496 WeakPolarHBondContact O-CD1 3.41Å; D492-I496 WeakPolarHBondContact O-CG1 3.36Å; D492-I496 PolarHBondContact O-N 3.36Å; E493-I496 PolarHBondContact O-N 2.96Å; I496-Q502 PolarHBondContact O-NE2 2.65Å |
| 497 | H | 85.6 | Confident | 88.9 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 60% | 0.597 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -99.1 | -3.4 | -172.6 | -68 | -58.6 | 0 | 0 | 0 | 115.5 | E493 I495 | E493-H497 WeakPolarHBondContact O-CB 3.38Å; E493-H497 PolarHBondContact O-CD2 3.46Å; E493-H497 PolarHBondContact O-N 3.34Å; I495-H497 VanDerWaalsContact C-N 3.33Å; I495-H497 PolarHBondContact O-N 2.96Å |
| 498 | S | 89.1 | Confident | 89.1 | Confident | 33 Ų | 33 | 71 Ų | 71 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | trans | -82.3 | 130.5 | -178.6 | 167.6 | 0 | 0 | 0 | 0 | 112.2 | K494 Q500 Y501 Q502 | K494-S498 WeakPolarHBondContact O-CB 3.49Å; K494-S498 PolarHBondContact O-N 3.32Å; S498-Q500 PolarHBondContact O-N 3.35Å; S498-Q500 VanDerWaalsContact O-N 3.13Å; S498-Q500 WeakPolarHBondContact OG-CG 3.36Å; S498-Y501 PolarHBondContact O-N 3.11Å; S498-Q502 PolarHBondContact O-N 3.27Å | ||
| 499 | I | 88.7 | Confident | 89.3 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 68% | 0.682 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -55.2 | -34.9 | -176 | -64 | 168.7 | 0 | 0 | 0 | 111.7 | Y501 Q502 R503 | I499-Y501 PolarHBondContact O-N 3.24Å; I499-Q502 PolarHBondContact O-N 3.16Å; I499-Q502 VanDerWaalsContact O-N 3.16Å; I499-R503 WeakPolarHBondContact O-CG 3.49Å |
| 500 | Q | 89.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 76 Ų | 76 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -66 | -26.5 | 179.9 | 75.4 | -159.7 | -5.5 | 0 | 0 | 113.1 | S498 L540 T541 | S498-Q500 PolarHBondContact O-N 3.35Å; S498-Q500 VanDerWaalsContact O-N 3.13Å; S498-Q500 WeakPolarHBondContact OG-CG 3.36Å; Q500-L540 HydrophobicContact CB-CD1 4.3Å; Q500-L540 HydrophobicContact CG-CD1 3.93Å; Q500-T541 PolarHBondContact O-OG1 3.48Å |
| 501 | Y | 92.5 | Very high | 90.3 | Very high | 45 Ų | 45 | 75.3 Ų | 75.3 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -91.6 | -7.1 | 177 | -65.2 | -76.5 | 0 | 0 | 0 | 112.8 | W485 I486 I495 S498 I499 L540 T541 | W485-Y501 VanDerWaalsContact CD1-O 3.26Å; W485-Y501 PolarHBondContact NE1-O 3.17Å; I486-Y501 HydrophobicContact CG2-CD1 3.62Å; I486-Y501 HydrophobicContact CG2-CE1 4.22Å; I486-Y501 HydrophobicContact CG2-CG 4.38Å; I495-Y501 HydrophobicContact CB-CD2 4.48Å; I495-Y501 HydrophobicContact CG1-CE2 4.3Å; I495-Y501 HydrophobicContact CG2-CD1 4.09Å; I495-Y501 HydrophobicContact CG2-CD2 4.19Å; I495-Y501 HydrophobicContact CG2-CE1 4.37Å; I495-Y501 HydrophobicContact CG2-CE2 4.44Å; I495-Y501 HydrophobicContact CG2-CG 4Å; I495-Y501 WeakPolarHBondContact O-CB 3.31Å; S498-Y501 PolarHBondContact O-N 3.11Å; I499-Y501 PolarHBondContact O-N 3.24Å; Y501-L540 HydrophobicContact CD1-CB 3.86Å; Y501-L540 VanDerWaalsContact CD1-O 3.26Å; Y501-L540 WeakPolarHBondContact CD1-O 3.14Å; Y501-L540 HydrophobicContact CE1-CB 3.75Å; Y501-L540 HydrophobicContact CE1-CD2 4.4Å; Y501-L540 HydrophobicContact CE1-CG 4.48Å; Y501-T541 WeakPolarHBondContact O-CG2 3.22Å |
| 502 | Q | 93.6 | Very high | 90.9 | Very high | 75 Ų | 75 | 67.5 Ų | 67.5 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -108.6 | 22.9 | -179.9 | -63.7 | -171.1 | 0.2 | 0 | 0 | 113.1 | W485 I496 S498 I499 F504 | W485-Q502 HydrophobicContact CZ2-CG 4.45Å; I496-Q502 PolarHBondContact O-NE2 2.65Å; S498-Q502 PolarHBondContact O-N 3.27Å; I499-Q502 PolarHBondContact O-N 3.16Å; I499-Q502 VanDerWaalsContact O-N 3.16Å; Q502-F504 VanDerWaalsContact C-N 3.27Å; Q502-F504 HydrophobicContact CB-CD2 4.5Å; Q502-F504 HydrophobicContact CB-CE2 3.77Å; Q502-F504 HydrophobicContact CB-CZ 4.09Å; Q502-F504 HydrophobicContact CG-CE2 4.21Å; Q502-F504 HydrophobicContact CG-CZ 4.18Å; Q502-F504 VanDerWaalsContact O-CD2 3.25Å; Q502-F504 WeakPolarHBondContact O-CD2 3.44Å; Q502-F504 PolarHBondContact O-N 3.38Å | ||
| 503 | R | 95.3 | Very high | 91.4 | Very high | 89 Ų | 89 | 65.6 Ų | 65.6 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | trans | -85.2 | 65.5 | 178.1 | -64.2 | -174.8 | 176.4 | 171.2 | -4.6 | 111 | Y464 I499 G515 G516 S517 T541 | Y464-R503 HydrophobicContact CD1-CB 3.69Å; Y464-R503 HydrophobicContact CD1-CG 4.41Å; Y464-R503 HydrophobicContact CD2-CB 3.97Å; Y464-R503 HydrophobicContact CD2-CG 3.76Å; Y464-R503 HydrophobicContact CE1-CB 3.94Å; Y464-R503 HydrophobicContact CE2-CB 4.16Å; Y464-R503 HydrophobicContact CE2-CG 4.01Å; Y464-R503 HydrophobicContact CG-CB 3.73Å; Y464-R503 HydrophobicContact CG-CG 3.98Å; I499-R503 WeakPolarHBondContact O-CG 3.49Å; R503-G515 CarbonylContact O-C 3.58Å; R503-G515 WeakPolarHBondContact O-CA 3.3Å; R503-G515 PolarHBondContact O-N 2.82Å; R503-G516 PolarHBondContact O-N 2.81Å; R503-S517 PolarHBondContact NH1-O 3.08Å; R503-T541 PolarHBondContact N-OG1 3.26Å | ||
| 504 | F | 96.3 | Very high | 92 | Very high | 10 Ų | 10 | 59 Ų | 59 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | trans | -71.6 | -66.7 | -170.4 | -50.6 | -74.8 | 0 | 0 | 0 | 113.4 | Y465 G466 N467 C470 W485 Q502 L514 G515 T541 F542 | Y465-F504 WeakPolarHBondContact O-CB 3.5Å; G466-F504 WeakPolarHBondContact O-CD2 3.48Å; N467-F504 WeakPolarHBondContact O-CD1 3.17Å; C470-F504 HydrophobicContact CB-CB 4.06Å; C470-F504 HydrophobicContact CB-CD1 4.18Å; C470-F504 HydrophobicContact CB-CG 4.46Å; W485-F504 HydrophobicContact CB-CE1 4.07Å; W485-F504 AromaticContact CD1-CE1 3.47Å; W485-F504 VanDerWaalsContact CD1-CE1 3.47Å; W485-F504 AromaticContact CD2-CE1 3.9Å; W485-F504 HydrophobicContact CD2-CE1 3.9Å; W485-F504 HydrophobicContact CD2-CZ 4.15Å; W485-F504 AromaticContact CE2-CE1 3.98Å; W485-F504 AromaticContact CE2-CZ 3.91Å; W485-F504 AromaticContact CG-CE1 3.57Å; W485-F504 HydrophobicContact CG-CE1 3.57Å; W485-F504 HydrophobicContact CG-CZ 4.28Å; W485-F504 HydrophobicContact CZ2-CZ 4.33Å; W485-F504 AromaticContact NE1-CE1 3.73Å; W485-F504 AromaticContact NE1-CZ 3.93Å; Q502-F504 VanDerWaalsContact C-N 3.27Å; Q502-F504 HydrophobicContact CB-CD2 4.5Å; Q502-F504 HydrophobicContact CB-CE2 3.77Å; Q502-F504 HydrophobicContact CB-CZ 4.09Å; Q502-F504 HydrophobicContact CG-CE2 4.21Å; Q502-F504 HydrophobicContact CG-CZ 4.18Å; Q502-F504 VanDerWaalsContact O-CD2 3.25Å; Q502-F504 WeakPolarHBondContact O-CD2 3.44Å; Q502-F504 PolarHBondContact O-N 3.38Å; F504-L514 VanDerWaalsContact O-CA 3.29Å; F504-L514 WeakPolarHBondContact O-CA 3.38Å; F504-G515 PolarHBondContact O-N 3.27Å; F504-T541 HydrophobicContact CD1-CG2 3.84Å; F504-T541 HydrophobicContact CE1-CG2 4.18Å; F504-F542 HydrophobicContact CD1-CE1 4.38Å; F504-F542 HydrophobicContact CD1-CZ 4.34Å | ||
| 505 | Q | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.3 | 177.5 | 64.3 | -173.4 | 80.4 | 0 | 0 | 111.2 | D454 W456 Y464 Y465 E513 L514 | D454-Q505 PolarHBondContact O-NE2 2.91Å; W456-Q505 HydrophobicContact CH2-CB 3.96Å; W456-Q505 HydrophobicContact CZ3-CB 4.24Å; Y464-Q505 CarbonylContact C-O 3.52Å; Y464-Q505 VanDerWaalsContact CA-O 3.26Å; Y464-Q505 WeakPolarHBondContact CA-O 3.28Å; Y465-Q505 HydrophobicContact CD1-CG 4.37Å; Y465-Q505 WeakPolarHBondContact CD1-O 3.34Å; Y465-Q505 HydrophobicContact CD2-CG 3.8Å; Y465-Q505 HydrophobicContact CE1-CG 4.27Å; Y465-Q505 HydrophobicContact CE2-CG 3.69Å; Y465-Q505 HydrophobicContact CG-CG 4.14Å; Y465-Q505 PolarHBondContact N-O 3.33Å; Y465-Q505 VanDerWaalsContact O-CG 3.32Å; Y465-Q505 WeakPolarHBondContact O-CG 3.2Å; Y465-Q505 PolarHBondContact O-N 3.33Å; Y465-Q505 VanDerWaalsContact O-N 3.07Å; Q505-E513 CarbonylContact C-O 3.54Å; Q505-E513 WeakPolarHBondContact CA-O 3.37Å; Q505-L514 HydrophobicContact CB-CD2 3.81Å |
| 506 | R | 95.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 24% | 0.242 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 137 | 176.9 | 175.7 | 170.8 | 83.5 | 147.8 | 4.6 | 110.3 | S462 Y464 I512 E513 | S462-R506 WeakPolarHBondContact O-CD 3.26Å; Y464-R506 HydrophobicContact CD1-CB 3.53Å; Y464-R506 HydrophobicContact CE1-CB 3.53Å; Y464-R506 HydrophobicContact CG-CB 4.06Å; R506-I512 CarbonylContact O-C 3.17Å; R506-I512 WeakPolarHBondContact O-CA 3.46Å; R506-E513 HydrophobicContact CB-CB 4.34Å; R506-E513 IonicContact CZ-OE1 3.64Å; R506-E513 IonicContact CZ-OE2 3.2Å; R506-E513 PolarHBondContact N-O 3.14Å; R506-E513 IonicContact NE-OE1 3.77Å; R506-E513 IonicContact NE-OE2 2.81Å; R506-E513 PolarHBondContact NE-OE2 2.98Å; R506-E513 IonicContact NH2-OE1 2.72Å; R506-E513 PolarHBondContact NH2-OE1 3.06Å; R506-E513 IonicContact NH2-OE2 2.93Å; R506-E513 PolarHBondContact NH2-OE2 2.83Å; R506-E513 PolarHBondContact O-N 3.45Å |
| 507 | A | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y424 W456 Q457 H459 Y465 I512 | Y424-A507 HydrophobicContact CE1-CB 3.84Å; W456-A507 HydrophobicContact CE3-CB 4Å; W456-A507 HydrophobicContact CZ3-CB 4.32Å; Q457-A507 VanDerWaalsContact O-CB 3.24Å; Q457-A507 WeakPolarHBondContact O-CB 3.49Å; H459-A507 PolarHBondContact N-O 3.08Å; Y465-A507 HydrophobicContact CE1-CB 4.17Å; Y465-A507 WeakPolarHBondContact OH-CB 3.37Å; A507-I512 HydrophobicContact CB-CG2 4.18Å |
| 508 | S | 93.8 | Very high | 92.7 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 175 | 179.9 | 76.9 | 0 | 0 | 0 | 0 | 110.9 | L420 Y424 N510 G511 | L420-S508 WeakPolarHBondContact CD2-O 3.29Å; Y424-S508 WeakPolarHBondContact CE2-O 3.16Å; Y424-S508 PolarHBondContact OH-N 2.94Å; Y424-S508 VanDerWaalsContact OH-N 3.12Å; Y424-S508 PolarHBondContact OH-O 3.09Å; S508-N510 PolarHBondContact O-N 3.48Å; S508-N510 PolarHBondContact OG-N 2.8Å; S508-N510 VanDerWaalsContact OG-N 3.14Å; S508-G511 PolarHBondContact N-O 2.64Å; S508-G511 PolarHBondContact OG-N 2.83Å; S508-G511 PolarHBondContact OG-O 3.01Å |
| 509 | N | 89.2 | Confident | 91.9 | Very high | 132 Ų | 132 | 46.2 Ų | 46.2 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.9 | 173 | -65.9 | -23.8 | 0 | 0 | 0 | 113.2 | ||
| 510 | N | 90.8 | Very high | 91.4 | Very high | 137 Ų | 137 | 46 Ų | 46 | 73% | 0.733 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -8.7 | -175.6 | -63.8 | -15.9 | 0 | 0 | 0 | 113.1 | S508 S529 | S508-N510 PolarHBondContact O-N 3.48Å; S508-N510 PolarHBondContact OG-N 2.8Å; S508-N510 VanDerWaalsContact OG-N 3.14Å; N510-S529 PolarHBondContact O-N 3.01Å; N510-S529 VanDerWaalsContact O-N 3.16Å |
| 511 | G | 94.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | 176.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y424 S508 L527 | Y424-G511 PolarHBondContact OH-O 3.37Å; S508-G511 PolarHBondContact N-O 2.64Å; S508-G511 PolarHBondContact OG-N 2.83Å; S508-G511 PolarHBondContact OG-O 3.01Å; G511-L527 CarbonylContact C-O 3.51Å; G511-L527 WeakPolarHBondContact CA-O 3.42Å |
| 512 | I | 96.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.9 | 171.2 | 54.4 | 172.6 | 0 | 0 | 0 | 110.6 | L420 F423 Y424 L437 W456 R506 A507 S526 L527 | L420-I512 HydrophobicContact CD1-CG2 4.06Å; F423-I512 HydrophobicContact CE1-CD1 4.02Å; F423-I512 HydrophobicContact CZ-CD1 3.93Å; Y424-I512 HydrophobicContact CE1-CG2 3.71Å; Y424-I512 WeakPolarHBondContact OH-CG2 3.44Å; L437-I512 HydrophobicContact CD1-CD1 4.45Å; L437-I512 HydrophobicContact CD2-CD1 4.06Å; W456-I512 HydrophobicContact CD2-CG2 4.49Å; W456-I512 HydrophobicContact CE3-CB 4.09Å; W456-I512 HydrophobicContact CE3-CG2 3.6Å; W456-I512 HydrophobicContact CH2-CB 3.93Å; W456-I512 HydrophobicContact CH2-CD1 4.16Å; W456-I512 HydrophobicContact CH2-CG2 4.36Å; W456-I512 HydrophobicContact CZ2-CD1 4.27Å; W456-I512 HydrophobicContact CZ3-CB 3.53Å; W456-I512 HydrophobicContact CZ3-CD1 4.31Å; W456-I512 HydrophobicContact CZ3-CG1 4.49Å; W456-I512 HydrophobicContact CZ3-CG2 3.54Å; R506-I512 CarbonylContact O-C 3.17Å; R506-I512 WeakPolarHBondContact O-CA 3.46Å; A507-I512 HydrophobicContact CB-CG2 4.18Å; I512-S526 CarbonylContact O-C 3.51Å; I512-S526 VanDerWaalsContact O-CA 3.24Å; I512-S526 WeakPolarHBondContact O-CA 3.34Å; I512-L527 HydrophobicContact CD1-CB 4.46Å; I512-L527 HydrophobicContact CD1-CD1 3.73Å; I512-L527 HydrophobicContact CG1-CB 3.82Å; I512-L527 HydrophobicContact CG1-CD1 3.99Å; I512-L527 HydrophobicContact CG1-CG 4.46Å; I512-L527 PolarHBondContact N-O 2.83Å; I512-L527 VanDerWaalsContact N-O 3.1Å; I512-L527 PolarHBondContact O-N 2.95Å |
| 513 | E | 96.7 | Very high | 91.5 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 16% | 0.164 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145 | -177.9 | -60.9 | 175.8 | -178.2 | 0 | 0 | 111.3 | Y464 Q505 R506 P523 L525 | Y464-E513 PolarHBondContact OH-OE2 2.82Å; Q505-E513 CarbonylContact C-O 3.54Å; Q505-E513 WeakPolarHBondContact CA-O 3.37Å; R506-E513 HydrophobicContact CB-CB 4.34Å; R506-E513 IonicContact CZ-OE1 3.64Å; R506-E513 IonicContact CZ-OE2 3.2Å; R506-E513 PolarHBondContact N-O 3.14Å; R506-E513 IonicContact NE-OE1 3.77Å; R506-E513 IonicContact NE-OE2 2.81Å; R506-E513 PolarHBondContact NE-OE2 2.98Å; R506-E513 IonicContact NH2-OE1 2.72Å; R506-E513 PolarHBondContact NH2-OE1 3.06Å; R506-E513 IonicContact NH2-OE2 2.93Å; R506-E513 PolarHBondContact NH2-OE2 2.83Å; R506-E513 PolarHBondContact O-N 3.45Å; E513-P523 HydrophobicContact CB-CB 4.23Å; E513-P523 HydrophobicContact CB-CG 4.26Å; E513-P523 HydrophobicContact CG-CB 4.39Å; E513-P523 HydrophobicContact CG-CG 3.91Å; E513-L525 CarbonylContact C-O 3.56Å; E513-L525 WeakPolarHBondContact CA-O 3.4Å |
| 514 | L | 97.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.2 | 174.5 | -71.8 | 143.4 | 0 | 0 | 0 | 109 | L437 A450 W456 L472 F504 Q505 G524 L525 | L437-L514 HydrophobicContact CD2-CD1 3.55Å; A450-L514 HydrophobicContact CB-CD1 3.47Å; A450-L514 VanDerWaalsContact CB-CD1 3.47Å; A450-L514 HydrophobicContact CB-CD2 3.82Å; A450-L514 HydrophobicContact CB-CG 4.12Å; W456-L514 HydrophobicContact CH2-CD1 4.12Å; W456-L514 HydrophobicContact CH2-CD2 4.08Å; W456-L514 HydrophobicContact CH2-CG 3.88Å; W456-L514 HydrophobicContact CZ2-CD1 4Å; W456-L514 HydrophobicContact CZ2-CD2 4.08Å; W456-L514 HydrophobicContact CZ2-CG 4.12Å; L472-L514 HydrophobicContact CD2-CB 3.83Å; F504-L514 VanDerWaalsContact O-CA 3.29Å; F504-L514 WeakPolarHBondContact O-CA 3.38Å; Q505-L514 HydrophobicContact CB-CD2 3.81Å; L514-G524 CarbonylContact O-C 3.53Å; L514-G524 VanDerWaalsContact O-CA 3.27Å; L514-G524 WeakPolarHBondContact O-CA 3.41Å; L514-G524 PolarHBondContact O-N 2.95Å; L514-G524 VanDerWaalsContact O-N 3.08Å; L514-L525 HydrophobicContact CB-CB 4.33Å; L514-L525 HydrophobicContact CD1-CB 4.49Å; L514-L525 HydrophobicContact CD1-CD2 4.11Å; L514-L525 HydrophobicContact CD1-CG 4.49Å; L514-L525 PolarHBondContact N-O 3.07Å; L514-L525 PolarHBondContact O-N 3.27Å |
| 515 | G | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 70.2 | 96.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R503 F504 P523 G524 T539 F542 | R503-G515 CarbonylContact O-C 3.58Å; R503-G515 WeakPolarHBondContact O-CA 3.3Å; R503-G515 PolarHBondContact O-N 2.82Å; F504-G515 PolarHBondContact O-N 3.27Å; G515-P523 CarbonylContact O-C 3.58Å; G515-P523 WeakPolarHBondContact O-CA 3.36Å; G515-P523 WeakPolarHBondContact O-CB 3.44Å; G515-G524 PolarHBondContact O-N 2.96Å; G515-T539 WeakPolarHBondContact O-CG2 3.3Å; G515-F542 VanDerWaalsContact CA-CE2 3.46Å |
| 516 | G | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -55.7 | 146.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y464 R503 | Y464-G516 WeakPolarHBondContact OH-CA 3.15Å; R503-G516 PolarHBondContact O-N 2.81Å |
| 517 | S | 86.4 | Confident | 91.9 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 144.3 | 179.6 | 156.3 | 0 | 0 | 0 | 0 | 112.9 | R503 G521 | R503-S517 PolarHBondContact NH1-O 3.08Å; S517-G521 VanDerWaalsContact CB-O 3.26Å; S517-G521 WeakPolarHBondContact CB-O 3.4Å; S517-G521 PolarHBondContact OG-O 2.96Å |
| 518 | I | 81.3 | Confident | 91.9 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 145.3 | 162.2 | -53.6 | 175 | 0 | 0 | 0 | 107.3 | N520 G521 P538 L540 | I518-N520 PolarHBondContact O-N 2.78Å; I518-N520 VanDerWaalsContact O-N 3.1Å; I518-G521 PolarHBondContact O-N 2.63Å; I518-P538 HydrophobicContact CD1-CB 4.28Å; I518-P538 HydrophobicContact CD1-CG 4.27Å; I518-P538 WeakPolarHBondContact CD1-O 3.32Å; I518-L540 HydrophobicContact CD1-CG 4.42Å; I518-L540 HydrophobicContact CG1-CG 4.25Å |
| 519 | S | 72 | Confident | 91.8 | Very high | 69 Ų | 69 | 35.5 Ų | 35.5 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40.5 | 119.9 | -179.7 | 29.1 | 0 | 0 | 0 | 0 | 112.2 | G521 E561 | S519-G521 PolarHBondContact O-N 2.89Å; S519-E561 VanDerWaalsContact CB-OE2 3.25Å; S519-E561 WeakPolarHBondContact CB-OE2 3.4Å; S519-E561 WeakPolarHBondContact O-CG 3.32Å; S519-E561 PolarHBondContact OG-OE2 2.7Å |
| 520 | N | 78.5 | Confident | 91.9 | Very high | 130 Ų | 130 | 32.2 Ų | 32.2 | 70% | 0.695 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 13.7 | -177.7 | -58.3 | -43.1 | 0 | 0 | 0 | 118.2 | I518 E561 | I518-N520 PolarHBondContact O-N 2.78Å; I518-N520 VanDerWaalsContact O-N 3.1Å; N520-E561 HydrophobicContact CB-CG 4.45Å; N520-E561 PolarHBondContact ND2-OE1 2.69Å |
| 521 | G | 87.7 | Confident | 91.9 | Very high | 15 Ų | 15 | 25.8 Ų | 25.8 | 16% | 0.155 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -113.9 | 166.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | S517 I518 S519 | S517-G521 VanDerWaalsContact CB-O 3.26Å; S517-G521 WeakPolarHBondContact CB-O 3.4Å; S517-G521 PolarHBondContact OG-O 2.96Å; I518-G521 PolarHBondContact O-N 2.63Å; S519-G521 PolarHBondContact O-N 2.89Å |
| 522 | P | 94.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | trans | -70.9 | 157.1 | 167.9 | 23.4 | -23.6 | 0 | 0 | 0 | 111.9 | S535 | P522-S535 WeakPolarHBondContact CB-OG 3.41Š| ||
| 523 | P | 95.9 | Very high | 91.8 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | trans | -58.9 | 168.5 | 167.3 | -22 | 34.5 | 0 | 0 | 0 | 112.4 | E513 G515 L525 S536 G537 | E513-P523 HydrophobicContact CB-CB 4.23Å; E513-P523 HydrophobicContact CB-CG 4.26Å; E513-P523 HydrophobicContact CG-CB 4.39Å; E513-P523 HydrophobicContact CG-CG 3.91Å; G515-P523 CarbonylContact O-C 3.58Å; G515-P523 WeakPolarHBondContact O-CA 3.36Å; G515-P523 WeakPolarHBondContact O-CB 3.44Å; P523-L525 PolarHBondContact O-N 2.8Å; P523-S536 CarbonylContact O-C 3.59Å; P523-G537 PolarHBondContact O-N 3Å | ||
| 524 | G | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -53.5 | -44.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L514 G515 S536 G537 | L514-G524 CarbonylContact O-C 3.53Å; L514-G524 VanDerWaalsContact O-CA 3.27Å; L514-G524 WeakPolarHBondContact O-CA 3.41Å; L514-G524 PolarHBondContact O-N 2.95Å; L514-G524 VanDerWaalsContact O-N 3.08Å; G515-G524 PolarHBondContact O-N 2.96Å; G524-S536 WeakPolarHBondContact O-CA 3.5Å; G524-S536 WeakPolarHBondContact O-CB 3.46Å; G524-S536 PolarHBondContact O-OG 3.38Å; G524-G537 WeakPolarHBondContact CA-O 3.15Å |
| 525 | L | 98.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 131.4 | 165.2 | 174.4 | 58.6 | 0 | 0 | 0 | 108.5 | L437 V439 I448 L472 E513 L514 P523 S535 L547 F569 | L437-L525 HydrophobicContact CD2-CD2 4.13Å; V439-L525 HydrophobicContact CG2-CD2 4.07Å; I448-L525 HydrophobicContact CD1-CD1 3.75Å; L472-L525 HydrophobicContact CD2-CB 4.24Å; E513-L525 CarbonylContact C-O 3.56Å; E513-L525 WeakPolarHBondContact CA-O 3.4Å; L514-L525 HydrophobicContact CB-CB 4.33Å; L514-L525 HydrophobicContact CD1-CB 4.49Å; L514-L525 HydrophobicContact CD1-CD2 4.11Å; L514-L525 HydrophobicContact CD1-CG 4.49Å; L514-L525 PolarHBondContact N-O 3.07Å; L514-L525 PolarHBondContact O-N 3.27Å; P523-L525 PolarHBondContact O-N 2.8Å; L525-S535 CarbonylContact C-O 3.39Å; L525-S535 WeakPolarHBondContact CA-O 3.26Å; L525-L547 HydrophobicContact CB-CD1 4.32Å; L525-F569 HydrophobicContact CD1-CE1 4.47Å; L525-F569 HydrophobicContact CD1-CZ 4.16Å |
| 526 | S | 97.5 | Very high | 92 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.2 | 168.8 | 81.3 | 0 | 0 | 0 | 0 | 111.7 | I512 A534 S535 | I512-S526 CarbonylContact O-C 3.51Å; I512-S526 VanDerWaalsContact O-CA 3.24Å; I512-S526 WeakPolarHBondContact O-CA 3.34Å; S526-A534 CarbonylContact O-C 3.59Å; S526-A534 WeakPolarHBondContact O-CA 3.17Å; S526-A534 WeakPolarHBondContact O-CB 3.42Å; S526-S535 PolarHBondContact N-O 3.37Å; S526-S535 PolarHBondContact O-N 3.28Å; S526-S535 WeakPolarHBondContact OG-CB 3.21Å; S526-S535 PolarHBondContact OG-OG 3.03Å |
| 527 | L | 97.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.2 | 173.6 | -72.5 | 155.7 | 0 | 0 | 0 | 109.2 | L437 V439 G511 I512 L531 A534 V571 V574 | L437-L527 HydrophobicContact CD1-CD1 4.41Å; L437-L527 HydrophobicContact CD2-CD1 4.05Å; V439-L527 HydrophobicContact CG1-CD2 4.28Å; V439-L527 HydrophobicContact CG2-CD1 3.92Å; V439-L527 HydrophobicContact CG2-CD2 4.42Å; G511-L527 CarbonylContact C-O 3.51Å; G511-L527 WeakPolarHBondContact CA-O 3.42Å; I512-L527 HydrophobicContact CD1-CB 4.46Å; I512-L527 HydrophobicContact CD1-CD1 3.73Å; I512-L527 HydrophobicContact CG1-CB 3.82Å; I512-L527 HydrophobicContact CG1-CD1 3.99Å; I512-L527 HydrophobicContact CG1-CG 4.46Å; I512-L527 PolarHBondContact N-O 2.83Å; I512-L527 VanDerWaalsContact N-O 3.1Å; I512-L527 PolarHBondContact O-N 2.95Å; L527-L531 HydrophobicContact CB-CD2 4.04Å; L527-L531 HydrophobicContact CD1-CD2 4.39Å; L527-A534 HydrophobicContact CD2-CB 3.8Å; L527-A534 HydrophobicContact CG-CB 4.46Å; L527-V571 HydrophobicContact CD2-CG1 4.49Å; L527-V571 HydrophobicContact CD2-CG2 3.72Å; L527-V574 HydrophobicContact CD1-CG1 4.32Å; L527-V574 HydrophobicContact CD1-CG2 4.35Å; L527-V574 HydrophobicContact CD2-CG2 3.99Å |
| 528 | D | 95.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 26.9 Ų | 26.9 | 23% | 0.23 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 174.1 | 175.4 | 68.4 | -1.9 | 0 | 0 | 0 | 112.6 | C530 L531 T532 T533 | D528-C530 PolarHBondContact O-N 2.95Å; D528-C530 PolarHBondContact OD1-N 2.87Å; D528-L531 PolarHBondContact O-N 2.82Å; D528-L531 VanDerWaalsContact O-N 3.13Å; D528-L531 WeakPolarHBondContact OD1-CA 3.45Å; D528-L531 PolarHBondContact OD1-N 2.88Å; D528-T532 PolarHBondContact OD1-N 2.8Å; D528-T533 VanDerWaalsContact CG-O 3.31Å; D528-T533 PolarHBondContact N-O 3.28Å; D528-T533 PolarHBondContact OD1-N 3.39Å; D528-T533 WeakPolarHBondContact OD2-CB 3.42Å; D528-T533 PolarHBondContact OD2-N 3.18Å; D528-T533 PolarHBondContact OD2-OG1 3.16Å |
| 529 | S | 92 | Very high | 93.2 | Very high | 55 Ų | 55 | 25.9 Ų | 25.9 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.8 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | L420 N510 | L420-S529 VanDerWaalsContact CB-O 3.25Å; L420-S529 WeakPolarHBondContact CB-O 3.29Å; L420-S529 PolarHBondContact N-O 3.1Å; N510-S529 PolarHBondContact O-N 3.01Å; N510-S529 VanDerWaalsContact O-N 3.16Å |
| 530 | C | 90.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 25.7 Ų | 25.7 | 43% | 0.432 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 0.5 | 177.4 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | N418 D528 T532 | N418-C530 VanDerWaalsContact CB-O 3.3Å; N418-C530 WeakPolarHBondContact CB-O 3.47Å; N418-C530 CarbonylContact O-C 3.53Å; N418-C530 WeakPolarHBondContact O-CA 3.31Å; D528-C530 PolarHBondContact O-N 2.95Å; D528-C530 PolarHBondContact OD1-N 2.87Å; C530-T532 WeakPolarHBondContact CB-OG1 3.41Å; C530-T532 WeakPolarHBondContact O-CG2 3.41Å; C530-T532 PolarHBondContact O-N 3.13Å |
| 531 | L | 92.6 | Very high | 95 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 51.4 | 22.5 | -177.4 | -53.6 | 177.9 | 0 | 0 | 0 | 114 | F411 L420 F423 L527 D528 V571 V574 | F411-L531 HydrophobicContact CE1-CD1 3.8Å; F411-L531 HydrophobicContact CZ-CD1 3.57Å; L420-L531 HydrophobicContact CD1-CD2 3.89Å; F423-L531 HydrophobicContact CB-CD1 4.22Å; L527-L531 HydrophobicContact CB-CD2 4.04Å; L527-L531 HydrophobicContact CD1-CD2 4.39Å; D528-L531 PolarHBondContact O-N 2.82Å; D528-L531 VanDerWaalsContact O-N 3.13Å; D528-L531 WeakPolarHBondContact OD1-CA 3.45Å; D528-L531 PolarHBondContact OD1-N 2.88Å; L531-V571 WeakPolarHBondContact O-CB 3.49Å; L531-V571 WeakPolarHBondContact O-CG1 3.38Å; L531-V574 HydrophobicContact CB-CG2 4.08Å |
| 532 | T | 92.2 | Very high | 95.4 | Very high | 50 Ų | 50 | 19 Ų | 19 | 31% | 0.307 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -107.8 | -23.1 | -176.9 | 47.6 | 0 | 0 | 0 | 0 | 112 | N418 D528 C530 V571 | N418-T532 WeakPolarHBondContact ND2-CG2 3.25Å; D528-T532 PolarHBondContact OD1-N 2.8Å; C530-T532 WeakPolarHBondContact CB-OG1 3.41Å; C530-T532 WeakPolarHBondContact O-CG2 3.41Å; C530-T532 PolarHBondContact O-N 3.13Å; T532-V571 PolarHBondContact O-N 3.41Å |
| 533 | T | 95.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 22.4 Ų | 22.4 | 31% | 0.307 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.5 | 177.5 | -33.4 | 0 | 0 | 0 | 0 | 109.3 | D528 M568 | D528-T533 VanDerWaalsContact CG-O 3.31Å; D528-T533 PolarHBondContact N-O 3.28Å; D528-T533 PolarHBondContact OD1-N 3.39Å; D528-T533 WeakPolarHBondContact OD2-CB 3.42Å; D528-T533 PolarHBondContact OD2-N 3.18Å; D528-T533 PolarHBondContact OD2-OG1 3.16Å; T533-M568 HydrophobicContact CG2-CE 3.95Å |
| 534 | A | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 163.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S526 L527 M568 F569 V571 | S526-A534 CarbonylContact O-C 3.59Å; S526-A534 WeakPolarHBondContact O-CA 3.17Å; S526-A534 WeakPolarHBondContact O-CB 3.42Å; L527-A534 HydrophobicContact CD2-CB 3.8Å; L527-A534 HydrophobicContact CG-CB 4.46Å; A534-M568 CarbonylContact O-C 3.54Å; A534-M568 WeakPolarHBondContact O-CA 3.29Å; A534-F569 HydrophobicContact CB-CD1 3.92Å; A534-F569 HydrophobicContact CB-CD2 4.16Å; A534-F569 HydrophobicContact CB-CE1 3.34Å; A534-F569 HydrophobicContact CB-CE2 3.61Å; A534-F569 HydrophobicContact CB-CG 4.3Å; A534-F569 HydrophobicContact CB-CZ 3.15Å; A534-F569 PolarHBondContact N-O 3.49Å; A534-F569 WeakPolarHBondContact O-CD1 3.31Å; A534-F569 PolarHBondContact O-N 3.12Å; A534-V571 HydrophobicContact CB-CG2 3.42Å; A534-V571 VanDerWaalsContact CB-CG2 3.42Å |
| 535 | S | 97.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.9 | 172 | 86 | 0 | 0 | 0 | 0 | 110.9 | P522 L525 S526 C567 M568 | P522-S535 WeakPolarHBondContact CB-OG 3.41Å; L525-S535 CarbonylContact C-O 3.39Å; L525-S535 WeakPolarHBondContact CA-O 3.26Å; S526-S535 PolarHBondContact N-O 3.37Å; S526-S535 PolarHBondContact O-N 3.28Å; S526-S535 WeakPolarHBondContact OG-CB 3.21Å; S526-S535 PolarHBondContact OG-OG 3.03Å; S535-C567 CarbonylContact C-O 2.9Å; S535-C567 WeakPolarHBondContact CA-O 3.33Å; S535-C567 VanDerWaalsContact CB-O 3.3Å; S535-C567 WeakPolarHBondContact CB-O 3.38Å; S535-M568 WeakPolarHBondContact CB-SD 3.37Å |
| 536 | S | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 133 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | P523 G524 C546 L547 G566 C567 | P523-S536 CarbonylContact O-C 3.59Å; G524-S536 WeakPolarHBondContact O-CA 3.5Å; G524-S536 WeakPolarHBondContact O-CB 3.46Å; G524-S536 PolarHBondContact O-OG 3.38Å; S536-C546 PolarHBondContact O-SG 3.07Å; S536-L547 WeakPolarHBondContact OG-CB 3.1Å; S536-L547 WeakPolarHBondContact OG-CG 3.44Å; S536-L547 PolarHBondContact OG-N 3.49Å; S536-G566 CarbonylContact O-C 3.53Å; S536-G566 VanDerWaalsContact O-CA 3.25Å; S536-G566 WeakPolarHBondContact O-CA 3.17Å; S536-C567 PolarHBondContact N-O 3.42Å; S536-C567 PolarHBondContact O-N 3.01Å |
| 537 | G | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -142.9 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P523 G524 N544 | P523-G537 PolarHBondContact O-N 3Å; G524-G537 WeakPolarHBondContact CA-O 3.15Å; G537-N544 PolarHBondContact O-ND2 3.1Å | ||
| 538 | P | 95.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | trans | -73.5 | 147.6 | 173.3 | 33.2 | -37.3 | 0 | 0 | 0 | 112 | I518 N544 C560 Q564 | I518-P538 HydrophobicContact CD1-CB 4.28Å; I518-P538 HydrophobicContact CD1-CG 4.27Å; I518-P538 WeakPolarHBondContact CD1-O 3.32Å; P538-N544 WeakPolarHBondContact CA-O 3.34Å; P538-N544 WeakPolarHBondContact CB-O 3.35Å; P538-C560 HydrophobicContact CG-CB 4.15Å; P538-Q564 HydrophobicContact CB-CB 4.33Å; P538-Q564 HydrophobicContact CG-CB 3.98Å | ||
| 539 | T | 95.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | trans | -135.7 | 150.4 | 179.1 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | G515 F542 S543 N544 | G515-T539 WeakPolarHBondContact O-CG2 3.3Å; T539-F542 PolarHBondContact OG1-N 3.05Å; T539-F542 VanDerWaalsContact OG1-N 3.14Å; T539-S543 WeakPolarHBondContact O-CA 3.27Å; T539-S543 PolarHBondContact O-N 2.9Å; T539-N544 WeakPolarHBondContact CB-OD1 3.16Å; T539-N544 WeakPolarHBondContact CG2-OD1 3.44Å; T539-N544 PolarHBondContact N-OD1 3.21Å; T539-N544 PolarHBondContact OG1-OD1 2.91Å | ||
| 540 | L | 93.5 | Very high | 95 | Very high | 64 Ų | 64 | 27.1 Ų | 27.1 | 34% | 0.335 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -35.3 | 170.1 | -65.6 | 179.2 | 0 | 0 | 0 | 111.7 | Q500 Y501 I518 F542 | Q500-L540 HydrophobicContact CB-CD1 4.3Å; Q500-L540 HydrophobicContact CG-CD1 3.93Å; Y501-L540 HydrophobicContact CD1-CB 3.86Å; Y501-L540 VanDerWaalsContact CD1-O 3.26Å; Y501-L540 WeakPolarHBondContact CD1-O 3.14Å; Y501-L540 HydrophobicContact CE1-CB 3.75Å; Y501-L540 HydrophobicContact CE1-CD2 4.4Å; Y501-L540 HydrophobicContact CE1-CG 4.48Å; I518-L540 HydrophobicContact CD1-CG 4.42Å; I518-L540 HydrophobicContact CG1-CG 4.25Å; L540-F542 PolarHBondContact O-N 3.26Å |
| 541 | T | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -47.6 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | W485 I486 Q500 Y501 R503 F504 | W485-T541 WeakPolarHBondContact CA-O 3.17Å; W485-T541 VanDerWaalsContact CD1-O 3.28Å; I486-T541 PolarHBondContact N-O 3.45Å; Q500-T541 PolarHBondContact O-OG1 3.48Å; Y501-T541 WeakPolarHBondContact O-CG2 3.22Å; R503-T541 PolarHBondContact N-OG1 3.26Å; F504-T541 HydrophobicContact CD1-CG2 3.84Å; F504-T541 HydrophobicContact CE1-CG2 4.18Å |
| 542 | F | 95.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -4.7 | -175.1 | -57 | -62.8 | 0 | 0 | 0 | 113.9 | C470 L472 Y483 W485 F504 G515 T539 L540 N544 | C470-F542 HydrophobicContact CB-CE1 4.2Å; C470-F542 HydrophobicContact CB-CZ 4.07Å; C470-F542 VanDerWaalsContact O-CE1 3.31Å; C470-F542 WeakPolarHBondContact O-CE1 3.38Å; L472-F542 HydrophobicContact CD1-CB 4.28Å; L472-F542 HydrophobicContact CD1-CD2 3.46Å; L472-F542 VanDerWaalsContact CD1-CD2 3.46Å; L472-F542 HydrophobicContact CD1-CE2 4.11Å; L472-F542 HydrophobicContact CD1-CG 4.13Å; L472-F542 HydrophobicContact CD2-CE2 4.44Å; L472-F542 HydrophobicContact CG-CD2 3.59Å; L472-F542 HydrophobicContact CG-CE2 3.88Å; L472-F542 HydrophobicContact CG-CG 4.12Å; Y483-F542 WeakPolarHBondContact O-CD1 3.33Å; W485-F542 HydrophobicContact CB-CD1 4.49Å; W485-F542 HydrophobicContact CB-CE1 4.41Å; F504-F542 HydrophobicContact CD1-CE1 4.38Å; F504-F542 HydrophobicContact CD1-CZ 4.34Å; G515-F542 VanDerWaalsContact CA-CE2 3.46Å; T539-F542 PolarHBondContact OG1-N 3.05Å; T539-F542 VanDerWaalsContact OG1-N 3.14Å; L540-F542 PolarHBondContact O-N 3.26Å; F542-N544 HydrophobicContact CB-CB 4.28Å; F542-N544 PolarHBondContact O-N 3.28Å |
| 543 | S | 93 | Very high | 95.3 | Very high | 85 Ų | 85 | 32 Ų | 32 | 59% | 0.594 | 19% | 0.188 | S | C | * | . | trans | 50 | 32.2 | -172.3 | -156.2 | 0 | 0 | 0 | 0 | 112.4 | T539 | T539-S543 WeakPolarHBondContact O-CA 3.27Å; T539-S543 PolarHBondContact O-N 2.9Å | ||
| 544 | N | 94.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -81.9 | 156.1 | -179.7 | 70.1 | -71.8 | 0 | 0 | 0 | 110.3 | L472 Y483 G537 P538 T539 F542 | L472-N544 HydrophobicContact CD1-CB 4.27Å; Y483-N544 HydrophobicContact CD1-CB 3.58Å; Y483-N544 HydrophobicContact CD2-CB 3.95Å; Y483-N544 HydrophobicContact CE1-CB 4.08Å; Y483-N544 HydrophobicContact CE2-CB 4.41Å; Y483-N544 HydrophobicContact CG-CB 3.49Å; Y483-N544 VanDerWaalsContact CG-CB 3.49Å; G537-N544 PolarHBondContact O-ND2 3.1Å; P538-N544 WeakPolarHBondContact CA-O 3.34Å; P538-N544 WeakPolarHBondContact CB-O 3.35Å; T539-N544 WeakPolarHBondContact CB-OD1 3.16Å; T539-N544 WeakPolarHBondContact CG2-OD1 3.44Å; T539-N544 PolarHBondContact N-OD1 3.21Å; T539-N544 PolarHBondContact OG1-OD1 2.91Å; F542-N544 HydrophobicContact CB-CB 4.28Å; F542-N544 PolarHBondContact O-N 3.28Å | ||
| 545 | Q | 93.8 | Very high | 95.1 | Very high | 118 Ų | 118 | 36.2 Ų | 36.2 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | trans | -89.9 | 177.9 | 160.9 | -61.1 | 177.4 | 18.7 | 0 | 0 | 109.1 | L547 | Q545-L547 PolarHBondContact O-N 3.14Š| ||
| 546 | C | 95 | Very high | 94.9 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 9% | 0.088 | 24% | 0.237 | C | C | . | . | trans | -50.8 | 129.9 | 168.2 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | S536 I548 I565 C567 | S536-C546 PolarHBondContact O-SG 3.07Å; C546-I548 VanDerWaalsContact C-N 3.33Å; C546-I548 PolarHBondContact SG-O 2.86Å; C546-I548 VanDerWaalsContact SG-O 3.39Å; C546-I565 VanDerWaalsContact CB-O 3.32Å; C546-I565 WeakPolarHBondContact CB-O 3.35Å; C546-C567 PolarHBondContact SG-SG 2.98Å | ||
| 547 | L | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -77.3 | -23.5 | -177.3 | -58.2 | 177.7 | 0 | 0 | 0 | 111.6 | I448 L472 R474 Y483 L525 S536 Q545 | I448-L547 HydrophobicContact CB-CB 4.11Å; I448-L547 HydrophobicContact CB-CD1 4.33Å; I448-L547 HydrophobicContact CD1-CB 3.79Å; I448-L547 HydrophobicContact CD1-CD1 4.09Å; I448-L547 HydrophobicContact CG2-CB 3.75Å; L472-L547 HydrophobicContact CB-CD1 4.23Å; L472-L547 HydrophobicContact CB-CD2 4.38Å; L472-L547 HydrophobicContact CD1-CD1 4.27Å; L472-L547 HydrophobicContact CD2-CD1 4.32Å; R474-L547 WeakPolarHBondContact CD-O 3.42Å; Y483-L547 HydrophobicContact CD2-CD2 3.84Å; Y483-L547 HydrophobicContact CE2-CD2 3.59Å; L525-L547 HydrophobicContact CB-CD1 4.32Å; S536-L547 WeakPolarHBondContact OG-CB 3.1Å; S536-L547 WeakPolarHBondContact OG-CG 3.44Å; S536-L547 PolarHBondContact OG-N 3.49Å; Q545-L547 PolarHBondContact O-N 3.14Å |
| 548 | I | 96.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -89.2 | 124.6 | 173.5 | -55.6 | -60.8 | 0 | 0 | 0 | 108.9 | I448 C546 D553 L554 F569 | I448-I548 HydrophobicContact CD1-CD1 3.79Å; I448-I548 HydrophobicContact CD1-CG1 4.32Å; I448-I548 HydrophobicContact CG1-CD1 4.36Å; I448-I548 HydrophobicContact CG2-CD1 4.24Å; C546-I548 VanDerWaalsContact C-N 3.33Å; C546-I548 PolarHBondContact SG-O 2.86Å; C546-I548 VanDerWaalsContact SG-O 3.39Å; I548-D553 HydrophobicContact CG2-CB 3.63Å; I548-L554 HydrophobicContact CB-CD2 4.2Å; I548-L554 HydrophobicContact CG2-CD2 3.64Å; I548-L554 HydrophobicContact CG2-CG 4.38Å; I548-F569 HydrophobicContact CD1-CD1 4.18Å; I548-F569 HydrophobicContact CD1-CD2 4.07Å; I548-F569 HydrophobicContact CD1-CE1 4.11Å; I548-F569 HydrophobicContact CD1-CE2 4.01Å; I548-F569 HydrophobicContact CD1-CG 4.15Å; I548-F569 HydrophobicContact CD1-CZ 4.02Å; I548-F569 HydrophobicContact CG1-CB 4.44Å; I548-F569 HydrophobicContact CG1-CD1 3.55Å; I548-F569 HydrophobicContact CG1-CD2 4.3Å; I548-F569 HydrophobicContact CG1-CE1 3.71Å; I548-F569 HydrophobicContact CG1-CE2 4.43Å; I548-F569 HydrophobicContact CG1-CG 3.86Å; I548-F569 HydrophobicContact CG1-CZ 4.16Å | ||
| 549 | T | 94.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | trans | -130.5 | -13.1 | -177.8 | 48 | 0 | 0 | 0 | 0 | 113 | P477 P551 | P477-T549 WeakPolarHBondContact CD-OG1 3.48Å; P477-T549 WeakPolarHBondContact CG-OG1 3.48Å; T549-P551 WeakPolarHBondContact O-CD 3.36Å | ||
| 550 | D | 94.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | trans | -77.3 | 121.5 | 172.6 | -167.4 | -58.1 | 0 | 0 | 0 | 109.5 | N445 P477 V552 D553 | N445-D550 HydrophobicContact CB-CB 4.15Å; N445-D550 WeakPolarHBondContact CB-OD2 3.24Å; N445-D550 PolarHBondContact ND2-OD2 2.88Å; N445-D550 VanDerWaalsContact ND2-OD2 3.16Å; P477-D550 HydrophobicContact CG-CB 4.32Å; D550-V552 PolarHBondContact O-N 2.93Å; D550-V552 VanDerWaalsContact O-N 3.15Å; D550-V552 VanDerWaalsContact OD1-CB 3.28Å; D550-V552 WeakPolarHBondContact OD1-CB 3.29Å; D550-V552 WeakPolarHBondContact OD1-CG2 3.25Å; D550-V552 PolarHBondContact OD1-N 3.36Å; D550-D553 PolarHBondContact O-N 3.41Å; D550-D553 VanDerWaalsContact O-N 3.08Å | ||
| 551 | P | 93.6 | Very high | 93.3 | Very high | 103 Ų | 103 | 57 Ų | 57 | 67% | 0.669 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -57.7 | -27.4 | -178.7 | -25.8 | 35.2 | 0 | 0 | 0 | 114.6 | T549 D553 L554 | T549-P551 WeakPolarHBondContact O-CD 3.36Å; P551-D553 PolarHBondContact O-N 3.45Å; P551-L554 PolarHBondContact O-N 3.01Å |
| 552 | V | 94.2 | Very high | 92.6 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -66.9 | -26.5 | 180 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | D550 | D550-V552 PolarHBondContact O-N 2.93Å; D550-V552 VanDerWaalsContact O-N 3.15Å; D550-V552 VanDerWaalsContact OD1-CB 3.28Å; D550-V552 WeakPolarHBondContact OD1-CB 3.29Å; D550-V552 WeakPolarHBondContact OD1-CG2 3.25Å; D550-V552 PolarHBondContact OD1-N 3.36Å |
| 553 | D | 95.7 | Very high | 92 | Very high | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -89.1 | -10.4 | -179.3 | -72.2 | -34.4 | 0 | 0 | 0 | 113.5 | S441 S443 S446 I548 D550 P551 T555 F569 | S441-D553 WeakPolarHBondContact CB-OD1 3.41Å; S441-D553 VanDerWaalsContact CB-OD2 3.25Å; S441-D553 WeakPolarHBondContact CB-OD2 3.12Å; S441-D553 PolarHBondContact OG-OD1 2.86Å; S441-D553 PolarHBondContact OG-OD2 3.47Å; S443-D553 VanDerWaalsContact CB-OD1 3.25Å; S443-D553 WeakPolarHBondContact CB-OD1 3.4Å; S443-D553 VanDerWaalsContact OG-CG 3.23Å; S443-D553 PolarHBondContact OG-OD1 3.45Å; S443-D553 PolarHBondContact OG-OD2 2.56Å; S446-D553 WeakPolarHBondContact CB-OD2 3.03Å; S446-D553 PolarHBondContact N-OD2 3.33Å; S446-D553 VanDerWaalsContact N-OD2 3.1Å; S446-D553 PolarHBondContact OG-OD2 3.49Å; I548-D553 HydrophobicContact CG2-CB 3.63Å; D550-D553 PolarHBondContact O-N 3.41Å; D550-D553 VanDerWaalsContact O-N 3.08Å; P551-D553 PolarHBondContact O-N 3.45Å; D553-T555 PolarHBondContact O-N 3.16Å; D553-F569 WeakPolarHBondContact O-CA 3.46Å; D553-F569 WeakPolarHBondContact O-CB 3.39Å |
| 554 | L | 94.9 | Very high | 91.8 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | trans | -80.7 | 100.1 | -178.8 | -59.6 | 178.1 | 0 | 0 | 0 | 110.9 | I548 P551 T557 C567 | I548-L554 HydrophobicContact CB-CD2 4.2Å; I548-L554 HydrophobicContact CG2-CD2 3.64Å; I548-L554 HydrophobicContact CG2-CG 4.38Å; P551-L554 PolarHBondContact O-N 3.01Å; L554-T557 HydrophobicContact CD1-CG2 4.37Å; L554-C567 HydrophobicContact CD2-CB 3.51Å | ||
| 555 | T | 93.3 | Very high | 91.6 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -80.7 | -33.4 | 174.9 | 59 | 0 | 0 | 0 | 0 | 112.3 | D553 M568 F569 | D553-T555 PolarHBondContact O-N 3.16Å; T555-M568 PolarHBondContact N-O 3.4Å; T555-M568 WeakPolarHBondContact OG1-CB 3.37Å; T555-M568 PolarHBondContact OG1-O 2.66Å; T555-F569 PolarHBondContact OG1-N 3.31Å |
| 556 | Q | 94.9 | Very high | 91.6 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150 | 139.5 | 174.3 | -174.6 | -179.6 | 5.6 | 0 | 0 | 109.6 | C567 M568 | Q556-C567 CarbonylContact O-C 3.26Å; Q556-C567 WeakPolarHBondContact O-CA 3.34Å; Q556-C567 WeakPolarHBondContact O-CB 3.39Å; Q556-M568 HydrophobicContact CB-CB 4.02Å; Q556-M568 HydrophobicContact CB-CG 4.09Å; Q556-M568 PolarHBondContact O-N 2.95Å |
| 557 | T | 93.6 | Very high | 91.7 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.2 | 171.8 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | L554 I565 | L554-T557 HydrophobicContact CD1-CG2 4.37Å; T557-I565 HydrophobicContact CG2-CG2 4.32Å |
| 558 | V | 91.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.5 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | G566 | V558-G566 PolarHBondContact N-O 2.95Å; V558-G566 PolarHBondContact O-N 3.35Å |
| 559 | Q | 89.9 | Confident | 91.7 | Very high | 137 Ų | 137 | 62.6 Ų | 62.6 | 64% | 0.64 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.1 | 171.9 | -77.8 | -69.8 | -23 | 0 | 0 | 109.3 | ||
| 560 | C | 86.9 | Confident | 91.8 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.054 | 35% | 0.349 | C | S | . | . | trans | -90.2 | 155.9 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | P538 N562 G563 Q564 | P538-C560 HydrophobicContact CG-CB 4.15Å; C560-N562 WeakPolarHBondContact CB-OD1 3.33Å; C560-N562 PolarHBondContact O-N 2.93Å; C560-N562 VanDerWaalsContact O-N 3.1Å; C560-G563 PolarHBondContact O-N 2.72Å; C560-Q564 VanDerWaalsContact CB-O 3.29Å; C560-Q564 WeakPolarHBondContact CB-O 3.36Å; C560-Q564 PolarHBondContact N-O 3.3Å | ||
| 561 | E | 80.6 | Confident | 91.9 | Very high | 118 Ų | 118 | 61.3 Ų | 61.3 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.1 | -177.5 | -76.6 | 179.4 | 179.6 | 0 | 0 | 114.2 | S519 N520 G563 | S519-E561 VanDerWaalsContact CB-OE2 3.25Å; S519-E561 WeakPolarHBondContact CB-OE2 3.4Å; S519-E561 WeakPolarHBondContact O-CG 3.32Å; S519-E561 PolarHBondContact OG-OE2 2.7Å; N520-E561 HydrophobicContact CB-CG 4.45Å; N520-E561 PolarHBondContact ND2-OE1 2.69Å; E561-G563 PolarHBondContact O-N 3.05Å |
| 562 | N | 80.5 | Confident | 91.7 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 8.7 | 176.7 | 68.9 | -9.9 | 0 | 0 | 0 | 113.6 | C560 Q564 | C560-N562 WeakPolarHBondContact CB-OD1 3.33Å; C560-N562 PolarHBondContact O-N 2.93Å; C560-N562 VanDerWaalsContact O-N 3.1Å; N562-Q564 PolarHBondContact ND2-OE1 3.14Å; N562-Q564 PolarHBondContact O-N 2.81Å; N562-Q564 VanDerWaalsContact OD1-CB 3.31Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.25Å; N562-Q564 PolarHBondContact OD1-N 2.83Å; N562-Q564 VanDerWaalsContact OD1-N 3.08Å |
| 563 | G | 83.6 | Confident | 91.8 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 73.7 | 2.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C560 E561 | C560-G563 PolarHBondContact O-N 2.72Å; E561-G563 PolarHBondContact O-N 3.05Å |
| 564 | Q | 88.9 | Confident | 91.9 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | trans | -86.3 | 163.8 | 172.9 | -63.4 | -178 | -32.9 | 0 | 0 | 110.6 | P538 C560 N562 | P538-Q564 HydrophobicContact CB-CB 4.33Å; P538-Q564 HydrophobicContact CG-CB 3.98Å; C560-Q564 VanDerWaalsContact CB-O 3.29Å; C560-Q564 WeakPolarHBondContact CB-O 3.36Å; C560-Q564 PolarHBondContact N-O 3.3Å; N562-Q564 PolarHBondContact ND2-OE1 3.14Å; N562-Q564 PolarHBondContact O-N 2.81Å; N562-Q564 VanDerWaalsContact OD1-CB 3.31Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.25Å; N562-Q564 PolarHBondContact OD1-N 2.83Å; N562-Q564 VanDerWaalsContact OD1-N 3.08Å | ||
| 565 | I | 90.4 | Very high | 92 | Very high | 86 Ų | 86 | 49.1 Ų | 49.1 | 44% | 0.441 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.1 | -176.8 | -60.5 | 170.8 | 0 | 0 | 0 | 108.6 | C546 T557 | C546-I565 VanDerWaalsContact CB-O 3.32Å; C546-I565 WeakPolarHBondContact CB-O 3.35Å; T557-I565 HydrophobicContact CG2-CG2 4.32Å |
| 566 | G | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 169.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S536 V558 | S536-G566 CarbonylContact O-C 3.53Å; S536-G566 VanDerWaalsContact O-CA 3.25Å; S536-G566 WeakPolarHBondContact O-CA 3.17Å; V558-G566 PolarHBondContact N-O 2.95Å; V558-G566 PolarHBondContact O-N 3.35Å |
| 567 | C | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 163 | 178.8 | 79 | 0 | 0 | 0 | 0 | 113.3 | S535 S536 C546 L554 Q556 | S535-C567 CarbonylContact C-O 2.9Å; S535-C567 WeakPolarHBondContact CA-O 3.33Å; S535-C567 VanDerWaalsContact CB-O 3.3Å; S535-C567 WeakPolarHBondContact CB-O 3.38Å; S536-C567 PolarHBondContact N-O 3.42Å; S536-C567 PolarHBondContact O-N 3.01Å; C546-C567 PolarHBondContact SG-SG 2.98Å; L554-C567 HydrophobicContact CD2-CB 3.51Å; Q556-C567 CarbonylContact O-C 3.26Å; Q556-C567 WeakPolarHBondContact O-CA 3.34Å; Q556-C567 WeakPolarHBondContact O-CB 3.39Å |
| 568 | M | 97.2 | Very high | 92.3 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 150.8 | 157 | -56.2 | -63.5 | -64.3 | 0 | 0 | 108.9 | T533 A534 S535 T555 Q556 | T533-M568 HydrophobicContact CG2-CE 3.95Å; A534-M568 CarbonylContact O-C 3.54Å; A534-M568 WeakPolarHBondContact O-CA 3.29Å; S535-M568 WeakPolarHBondContact CB-SD 3.37Å; T555-M568 PolarHBondContact N-O 3.4Å; T555-M568 WeakPolarHBondContact OG1-CB 3.37Å; T555-M568 PolarHBondContact OG1-O 2.66Å; Q556-M568 HydrophobicContact CB-CB 4.02Å; Q556-M568 HydrophobicContact CB-CG 4.09Å; Q556-M568 PolarHBondContact O-N 2.95Å |
| 569 | F | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 157.4 | 175.5 | 65.7 | -80.2 | 0 | 0 | 0 | 111.9 | V439 I448 L525 A534 I548 D553 T555 V571 | V439-F569 HydrophobicContact CG1-CE2 3.92Å; V439-F569 HydrophobicContact CG1-CZ 4.13Å; I448-F569 HydrophobicContact CD1-CE1 4.25Å; I448-F569 HydrophobicContact CD1-CZ 3.74Å; L525-F569 HydrophobicContact CD1-CE1 4.47Å; L525-F569 HydrophobicContact CD1-CZ 4.16Å; A534-F569 HydrophobicContact CB-CD1 3.92Å; A534-F569 HydrophobicContact CB-CD2 4.16Å; A534-F569 HydrophobicContact CB-CE1 3.34Å; A534-F569 HydrophobicContact CB-CE2 3.61Å; A534-F569 HydrophobicContact CB-CG 4.3Å; A534-F569 HydrophobicContact CB-CZ 3.15Å; A534-F569 PolarHBondContact N-O 3.49Å; A534-F569 WeakPolarHBondContact O-CD1 3.31Å; A534-F569 PolarHBondContact O-N 3.12Å; I548-F569 HydrophobicContact CD1-CD1 4.18Å; I548-F569 HydrophobicContact CD1-CD2 4.07Å; I548-F569 HydrophobicContact CD1-CE1 4.11Å; I548-F569 HydrophobicContact CD1-CE2 4.01Å; I548-F569 HydrophobicContact CD1-CG 4.15Å; I548-F569 HydrophobicContact CD1-CZ 4.02Å; I548-F569 HydrophobicContact CG1-CB 4.44Å; I548-F569 HydrophobicContact CG1-CD1 3.55Å; I548-F569 HydrophobicContact CG1-CD2 4.3Å; I548-F569 HydrophobicContact CG1-CE1 3.71Å; I548-F569 HydrophobicContact CG1-CE2 4.43Å; I548-F569 HydrophobicContact CG1-CG 3.86Å; I548-F569 HydrophobicContact CG1-CZ 4.16Å; D553-F569 WeakPolarHBondContact O-CA 3.46Å; D553-F569 WeakPolarHBondContact O-CB 3.39Å; T555-F569 PolarHBondContact OG1-N 3.31Å; F569-V571 HydrophobicContact CD2-CG2 4.47Å; F569-V571 HydrophobicContact CE2-CG2 4.07Å |
| 570 | T | 95.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 31.7 Ų | 31.7 | 36% | 0.356 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.3 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | L442 | L442-T570 HydrophobicContact CB-CG2 4.14Å; L442-T570 HydrophobicContact CD2-CG2 3.91Å; L442-T570 PolarHBondContact N-O 3.42Å |
| 571 | V | 96.4 | Very high | 90.8 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.6 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | V439 L527 L531 T532 A534 F569 V574 | V439-V571 HydrophobicContact CG1-CG1 3.93Å; V439-V571 HydrophobicContact CG1-CG2 4.11Å; L527-V571 HydrophobicContact CD2-CG1 4.49Å; L527-V571 HydrophobicContact CD2-CG2 3.72Å; L531-V571 WeakPolarHBondContact O-CB 3.49Å; L531-V571 WeakPolarHBondContact O-CG1 3.38Å; T532-V571 PolarHBondContact O-N 3.41Å; A534-V571 HydrophobicContact CB-CG2 3.42Å; A534-V571 VanDerWaalsContact CB-CG2 3.42Å; F569-V571 HydrophobicContact CD2-CG2 4.47Å; F569-V571 HydrophobicContact CE2-CG2 4.07Å; V571-V574 HydrophobicContact CG1-CG2 3.55Å |
| 572 | G | 89.9 | Confident | 89.6 | Confident | 19 Ų | 19 | 37 Ų | 37 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -17.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R440 | R440-G572 PolarHBondContact O-N 3.01Å |
| 573 | L | 95.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 138.5 | 173.1 | 176.4 | 65.5 | 0 | 0 | 0 | 110.4 | E382 C383 S413 N414 R440 E575 | E382-L573 HydrophobicContact CB-CD2 4.02Å; C383-L573 HydrophobicContact CB-CD2 4.04Å; S413-L573 WeakPolarHBondContact OG-CA 3.43Å; S413-L573 VanDerWaalsContact OG-CD1 3.29Å; S413-L573 WeakPolarHBondContact OG-CD1 3.26Å; N414-L573 HydrophobicContact CB-CD1 4.07Å; R440-L573 HydrophobicContact CB-CB 4.29Å; R440-L573 PolarHBondContact N-O 2.55Å; R440-L573 PolarHBondContact O-N 3.03Å; R440-L573 VanDerWaalsContact O-N 3.16Å; L573-E575 HydrophobicContact CD1-CG 4.01Å; L573-E575 HydrophobicContact CD2-CG 3.91Å; L573-E575 HydrophobicContact CG-CG 3.88Å |
| 574 | V | 97.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.9 | 165.3 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | F411 S412 S413 L437 L438 L527 L531 V571 | F411-V574 HydrophobicContact CE1-CB 4.34Å; F411-V574 HydrophobicContact CE1-CG1 4.35Å; S412-V574 WeakPolarHBondContact CA-O 3.43Å; S413-V574 PolarHBondContact N-O 3.1Å; S413-V574 PolarHBondContact OG-N 2.78Å; L437-V574 HydrophobicContact CD1-CG1 3.76Å; L438-V574 WeakPolarHBondContact O-CA 3.25Å; L527-V574 HydrophobicContact CD1-CG1 4.32Å; L527-V574 HydrophobicContact CD1-CG2 4.35Å; L527-V574 HydrophobicContact CD2-CG2 3.99Å; L531-V574 HydrophobicContact CB-CG2 4.08Å; V571-V574 HydrophobicContact CG1-CG2 3.55Å |
| 575 | E | 97.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.9 | 172.1 | -65.1 | 178.9 | 127.8 | 0 | 0 | 110.7 | S381 E382 C383 F411 L438 L573 I577 | S381-E575 WeakPolarHBondContact CA-OE1 3.17Å; S381-E575 WeakPolarHBondContact CA-OE2 3.39Å; S381-E575 VanDerWaalsContact CB-OE2 3.3Å; S381-E575 WeakPolarHBondContact CB-OE2 3.45Å; S381-E575 PolarHBondContact OG-OE2 3.4Å; E382-E575 PolarHBondContact N-OE1 2.92Å; E382-E575 PolarHBondContact N-OE2 3.02Å; E382-E575 VanDerWaalsContact N-OE2 3.17Å; C383-E575 PolarHBondContact SG-OE2 2.66Å; F411-E575 VanDerWaalsContact O-CA 3.31Å; F411-E575 WeakPolarHBondContact O-CA 3.4Å; L438-E575 HydrophobicContact CB-CB 4.23Å; L438-E575 PolarHBondContact N-O 2.81Å; L438-E575 PolarHBondContact O-N 2.92Å; L573-E575 HydrophobicContact CD1-CG 4.01Å; L573-E575 HydrophobicContact CD2-CG 3.91Å; L573-E575 HydrophobicContact CG-CG 3.88Å; E575-I577 HydrophobicContact CB-CD1 4.43Å |
| 576 | L | 97.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.5 | 170.4 | -167.2 | 67.1 | 0 | 0 | 0 | 108.7 | V410 F411 F423 A427 T435 L437 | V410-L576 HydrophobicContact CB-CB 4.27Å; V410-L576 HydrophobicContact CB-CD2 4.29Å; V410-L576 HydrophobicContact CB-CG 4.32Å; V410-L576 WeakPolarHBondContact CB-O 3.16Å; V410-L576 HydrophobicContact CG1-CD2 3.95Å; V410-L576 PolarHBondContact N-O 3.31Å; F411-L576 HydrophobicContact CB-CB 3.88Å; F411-L576 PolarHBondContact N-O 3.13Å; F411-L576 PolarHBondContact O-N 3.34Å; F423-L576 HydrophobicContact CE2-CB 4.02Å; F423-L576 HydrophobicContact CE2-CD1 4.11Å; F423-L576 HydrophobicContact CE2-CD2 4.02Å; F423-L576 HydrophobicContact CE2-CG 4.29Å; F423-L576 HydrophobicContact CZ-CD1 4.02Å; F423-L576 HydrophobicContact CZ-CD2 4.06Å; F423-L576 HydrophobicContact CZ-CG 4.5Å; A427-L576 HydrophobicContact CB-CD2 3.75Å; T435-L576 HydrophobicContact CG2-CD1 4.15Å; T435-L576 HydrophobicContact CG2-CD2 4.29Å; T435-L576 HydrophobicContact CG2-CG 4.13Å; L437-L576 HydrophobicContact CD1-CD1 4.46Å |
| 577 | I | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.5 | 178.3 | -46.5 | -58.3 | 0 | 0 | 0 | 108.4 | P380 P407 Y408 T435 I436 L438 E575 | P380-I577 HydrophobicContact CB-CD1 4.26Å; P380-I577 HydrophobicContact CB-CG2 4.45Å; P380-I577 WeakPolarHBondContact O-CD1 3.47Å; P407-I577 HydrophobicContact CB-CG2 3.59Å; Y408-I577 CarbonylContact O-C 3.54Å; Y408-I577 WeakPolarHBondContact O-CA 3.37Å; T435-I577 CarbonylContact C-O 3.55Å; T435-I577 VanDerWaalsContact CA-O 3.27Å; T435-I577 WeakPolarHBondContact CA-O 3.26Å; T435-I577 WeakPolarHBondContact CB-O 3.43Å; I436-I577 HydrophobicContact CB-CB 4.14Å; I436-I577 PolarHBondContact N-O 2.99Å; I436-I577 PolarHBondContact O-N 3.16Å; L438-I577 HydrophobicContact CD1-CD1 4.37Å; L438-I577 HydrophobicContact CD1-CG1 3.94Å; E575-I577 HydrophobicContact CB-CD1 4.43Å |
| 578 | G | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 173.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | P407 Y408 V410 | P407-G578 CarbonylContact C-O 3.37Å; P407-G578 VanDerWaalsContact CA-O 3.22Å; P407-G578 WeakPolarHBondContact CA-O 3.24Å; Y408-G578 WeakPolarHBondContact CD1-O 3.46Å; Y408-G578 PolarHBondContact N-O 3.14Å; Y408-G578 PolarHBondContact O-N 3.27Å; V410-G578 VanDerWaalsContact CG2-N 3.32Å |
| 579 | F | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.6 | 179.6 | -64.1 | -80.9 | 0 | 0 | 0 | 109.7 | I393 Y401 F405 N432 A434 I436 F451 | I393-F579 HydrophobicContact CD1-CE1 4.19Å; I393-F579 HydrophobicContact CG1-CE1 4.06Å; I393-F579 HydrophobicContact CG1-CZ 4.35Å; I393-F579 HydrophobicContact CG2-CE1 4.42Å; Y401-F579 HydrophobicContact CD1-CB 4.39Å; Y401-F579 AromaticContact CD1-CD1 3.88Å; Y401-F579 HydrophobicContact CD1-CD1 3.88Å; Y401-F579 AromaticContact CD1-CD2 3.75Å; Y401-F579 HydrophobicContact CD1-CD2 3.75Å; Y401-F579 AromaticContact CD1-CE1 4Å; Y401-F579 HydrophobicContact CD1-CE1 4Å; Y401-F579 AromaticContact CD1-CE2 3.89Å; Y401-F579 HydrophobicContact CD1-CE2 3.89Å; Y401-F579 AromaticContact CD1-CG 3.74Å; Y401-F579 HydrophobicContact CD1-CG 3.74Å; Y401-F579 AromaticContact CD1-CZ 4Å; Y401-F579 HydrophobicContact CD1-CZ 4Å; Y401-F579 HydrophobicContact CE1-CB 4.48Å; Y401-F579 AromaticContact CE1-CD2 3.81Å; Y401-F579 HydrophobicContact CE1-CD2 3.81Å; Y401-F579 HydrophobicContact CE1-CE2 4.16Å; Y401-F579 HydrophobicContact CE1-CG 4.08Å; F405-F579 HydrophobicContact CB-CB 3.91Å; F405-F579 HydrophobicContact CB-CD1 3.96Å; F405-F579 HydrophobicContact CB-CG 4.33Å; F405-F579 HydrophobicContact CG-CB 4.14Å; N432-F579 HydrophobicContact CB-CB 3.96Å; N432-F579 VanDerWaalsContact CB-O 3.22Å; N432-F579 WeakPolarHBondContact CB-O 3.02Å; N432-F579 PolarHBondContact N-O 3.27Å; A434-F579 WeakPolarHBondContact O-CD2 3.25Å; I436-F579 HydrophobicContact CD1-CE1 4.5Å; I436-F579 HydrophobicContact CD1-CE2 4.47Å; I436-F579 HydrophobicContact CD1-CZ 3.71Å; I436-F579 HydrophobicContact CG1-CE2 4.23Å; I436-F579 HydrophobicContact CG1-CZ 3.93Å; F451-F579 HydrophobicContact CD2-CE2 4.46Å; F451-F579 AromaticContact CE2-CE2 3.87Å; F451-F579 HydrophobicContact CE2-CE2 3.87Å; F451-F579 HydrophobicContact CE2-CZ 4.2Å |
| 580 | R | 79.7 | Confident | 88.7 | Confident | 103 Ų | 103 | 33.2 Ų | 33.2 | 39% | 0.389 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.3 | 171 | 58.8 | -179.6 | 143.9 | -168.7 | -5.9 | 109.9 | F405 K406 Y408 E431 | F405-R580 CarbonylContact C-O 3.19Å; F405-R580 VanDerWaalsContact CA-O 3.26Å; F405-R580 WeakPolarHBondContact CA-O 3Å; K406-R580 HydrophobicContact CB-CG 4.07Å; K406-R580 PolarHBondContact N-O 2.94Å; K406-R580 WeakPolarHBondContact O-CG 3.43Å; K406-R580 PolarHBondContact O-N 3.38Å; Y408-R580 HydrophobicContact CD1-CB 4.09Å; Y408-R580 HydrophobicContact CD1-CG 3.92Å; Y408-R580 HydrophobicContact CE1-CB 3.95Å; Y408-R580 HydrophobicContact CE1-CG 4.31Å; E431-R580 WeakPolarHBondContact OE2-CA 3.34Å; E431-R580 WeakPolarHBondContact OE2-CB 3.37Å |
| 581 | D | 66.9 | Low | 88.2 | Confident | 116 Ų | 116 | 31.1 Ų | 31.1 | 62% | 0.62 | 16% | 0.16 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 145.7 | 172.8 | -78.3 | -46 | 0 | 0 | 0 | 110.7 | F405 | F405-D581 WeakPolarHBondContact CD1-OD1 3.42Å; F405-D581 WeakPolarHBondContact CE1-OD1 3.25Å |
| 582 | L | 56.6 | Low | 87.4 | Confident | 122 Ų | 122 | 32.8 Ų | 32.8 | 64% | 0.639 | 17% | 0.168 | S | C | * | . | trans | -73.3 | 0 | 174.6 | -83.7 | 172.3 | 0 | 0 | 0 | 112.9 | Y368 L404 K406 | Y368-L582 HydrophobicContact CD1-CD1 4.29Å; Y368-L582 HydrophobicContact CD1-CD2 4.02Å; Y368-L582 HydrophobicContact CE1-CD1 4.37Å; L404-L582 WeakPolarHBondContact O-CB 3.36Å; L404-L582 WeakPolarHBondContact O-CG 2.98Å; L404-L582 PolarHBondContact O-N 3.34Å; K406-L582 HydrophobicContact CB-CD2 3.91Å |
Retrieved 582 of 582 residues in 436.2 ms
(Link to these results)